----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:32:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.693345479999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.789757599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.517011439999999 Atomic positions (fractional): *1 O 0.27856116317954 0.51411770693415 0.12633972365824 15.999 2 O 0.72143883682046 0.01411770693415 0.87366027634176 15.999 3 O 0.22143883682046 0.48588229306585 0.62633972365824 15.999 4 O 0.77856116317954 0.98588229306585 0.37366027634176 15.999 5 O 0.72143883682046 0.48588229306585 0.87366027634176 15.999 6 O 0.27856116317954 0.98588229306585 0.12633972365824 15.999 7 O 0.77856116317954 0.51411770693415 0.37366027634176 15.999 8 O 0.22143883682046 0.01411770693415 0.62633972365824 15.999 *9 O 0.50254033045931 0.25000000000000 0.52389696211853 15.999 10 O 0.49745966954069 0.75000000000000 0.47610303788147 15.999 11 O 0.99745966954069 0.75000000000000 0.02389696211853 15.999 12 O 0.00254033045931 0.25000000000000 0.97610303788147 15.999 *13 O 0.40800757186214 0.25000000000000 0.86156071041197 15.999 14 O 0.59199242813786 0.75000000000000 0.13843928958803 15.999 15 O 0.09199242813786 0.75000000000000 0.36156071041197 15.999 16 O 0.90800757186214 0.25000000000000 0.63843928958803 15.999 *17 O 0.43302883801226 0.75000000000000 0.85709836263976 15.999 18 O 0.56697116198774 0.25000000000000 0.14290163736024 15.999 19 O 0.06697116198774 0.25000000000000 0.35709836263975 15.999 20 O 0.93302883801226 0.75000000000000 0.64290163736024 15.999 *21 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 22 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 23 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 24 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 *25 Al 0.84421945801617 0.75000000000000 0.85779406700329 26.982 26 Al 0.15578054198383 0.25000000000000 0.14220593299671 26.982 27 Al 0.65578054198383 0.25000000000000 0.35779406700329 26.982 28 Al 0.34421945801617 0.75000000000000 0.64220593299671 26.982 *29 Si 0.33983070839636 0.25000000000000 0.65387158381599 28.085 30 Si 0.66016929160364 0.75000000000000 0.34612841618401 28.085 31 Si 0.16016929160364 0.75000000000000 0.15387158381599 28.085 32 Si 0.83983070839636 0.25000000000000 0.84612841618401 28.085 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.693345479999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.789757599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.517011439999999 Atomic positions (fractional): *1 O 0.27856116317954 0.51411770693415 0.12633972365824 15.999 > 1 2 O 0.72143883682046 0.01411770693415 0.87366027634176 15.999 > 2 3 O 0.22143883682046 0.48588229306585 0.62633972365824 15.999 > 3 4 O 0.77856116317954 0.98588229306585 0.37366027634176 15.999 > 4 5 O 0.72143883682046 0.48588229306585 0.87366027634176 15.999 > 5 6 O 0.27856116317954 0.98588229306585 0.12633972365824 15.999 > 6 7 O 0.77856116317954 0.51411770693415 0.37366027634176 15.999 > 7 8 O 0.22143883682046 0.01411770693415 0.62633972365824 15.999 > 8 *9 O 0.50254033045931 0.25000000000000 0.52389696211853 15.999 > 9 10 O 0.49745966954069 0.75000000000000 0.47610303788147 15.999 > 10 11 O 0.99745966954069 0.75000000000000 0.02389696211853 15.999 > 11 12 O 0.00254033045931 0.25000000000000 0.97610303788147 15.999 > 12 *13 O 0.40800757186214 0.25000000000000 0.86156071041197 15.999 > 13 14 O 0.59199242813786 0.75000000000000 0.13843928958803 15.999 > 14 15 O 0.09199242813786 0.75000000000000 0.36156071041197 15.999 > 15 16 O 0.90800757186214 0.25000000000000 0.63843928958803 15.999 > 16 *17 O 0.43302883801226 0.75000000000000 0.85709836263976 15.999 > 17 18 O 0.56697116198774 0.25000000000000 0.14290163736024 15.999 > 18 19 O 0.06697116198774 0.25000000000000 0.35709836263975 15.999 > 19 20 O 0.93302883801226 0.75000000000000 0.64290163736024 15.999 > 20 *21 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 21 22 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 22 23 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 23 24 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 24 *25 Al 0.84421945801617 0.75000000000000 0.85779406700329 26.982 > 25 26 Al 0.15578054198383 0.25000000000000 0.14220593299671 26.982 > 26 27 Al 0.65578054198383 0.25000000000000 0.35779406700329 26.982 > 27 28 Al 0.34421945801617 0.75000000000000 0.64220593299671 26.982 > 28 *29 Si 0.33983070839636 0.25000000000000 0.65387158381599 28.085 > 29 30 Si 0.66016929160364 0.75000000000000 0.34612841618401 28.085 > 30 31 Si 0.16016929160364 0.75000000000000 0.15387158381599 28.085 > 31 32 Si 0.83983070839636 0.25000000000000 0.84612841618401 28.085 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.693345479999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.579515199999998 0.000000000000000 c 0.000000000000000 0.000000000000000 15.034022879999998 Atomic positions (fractional): *1 O 0.27856116317954 0.25705885346708 0.06316986182912 15.999 > 1 2 O 0.27856116317954 0.75705885346708 0.06316986182912 15.999 > 1 3 O 0.27856116317954 0.25705885346708 0.56316986182912 15.999 > 1 4 O 0.27856116317954 0.75705885346708 0.56316986182912 15.999 > 1 5 O 0.72143883682046 0.00705885346708 0.43683013817088 15.999 > 2 6 O 0.72143883682046 0.50705885346708 0.43683013817088 15.999 > 2 7 O 0.72143883682046 0.00705885346708 0.93683013817088 15.999 > 2 8 O 0.72143883682046 0.50705885346708 0.93683013817088 15.999 > 2 9 O 0.22143883682046 0.24294114653292 0.31316986182912 15.999 > 3 10 O 0.22143883682046 0.74294114653292 0.31316986182912 15.999 > 3 11 O 0.22143883682046 0.24294114653292 0.81316986182912 15.999 > 3 12 O 0.22143883682046 0.74294114653292 0.81316986182912 15.999 > 3 13 O 0.77856116317954 0.49294114653292 0.18683013817088 15.999 > 4 14 O 0.77856116317954 0.99294114653292 0.18683013817088 15.999 > 4 15 O 0.77856116317954 0.49294114653292 0.68683013817088 15.999 > 4 16 O 0.77856116317954 0.99294114653292 0.68683013817088 15.999 > 4 17 O 0.72143883682046 0.24294114653292 0.43683013817088 15.999 > 5 18 O 0.72143883682046 0.74294114653292 0.43683013817088 15.999 > 5 19 O 0.72143883682046 0.24294114653292 0.93683013817088 15.999 > 5 20 O 0.72143883682046 0.74294114653292 0.93683013817088 15.999 > 5 21 O 0.27856116317954 0.49294114653292 0.06316986182912 15.999 > 6 22 O 0.27856116317954 0.99294114653292 0.06316986182912 15.999 > 6 23 O 0.27856116317954 0.49294114653292 0.56316986182912 15.999 > 6 24 O 0.27856116317954 0.99294114653292 0.56316986182912 15.999 > 6 25 O 0.77856116317954 0.25705885346708 0.18683013817088 15.999 > 7 26 O 0.77856116317954 0.75705885346708 0.18683013817088 15.999 > 7 27 O 0.77856116317954 0.25705885346708 0.68683013817088 15.999 > 7 28 O 0.77856116317954 0.75705885346708 0.68683013817088 15.999 > 7 29 O 0.22143883682046 0.00705885346708 0.31316986182912 15.999 > 8 30 O 0.22143883682046 0.50705885346708 0.31316986182912 15.999 > 8 31 O 0.22143883682046 0.00705885346708 0.81316986182912 15.999 > 8 32 O 0.22143883682046 0.50705885346708 0.81316986182912 15.999 > 8 *33 O 0.50254033045931 0.12500000000000 0.26194848105927 15.999 > 9 34 O 0.50254033045931 0.62500000000000 0.26194848105927 15.999 > 9 35 O 0.50254033045931 0.12500000000000 0.76194848105927 15.999 > 9 36 O 0.50254033045931 0.62500000000000 0.76194848105927 15.999 > 9 37 O 0.49745966954069 0.37500000000000 0.23805151894073 15.999 > 10 38 O 0.49745966954069 0.87500000000000 0.23805151894073 15.999 > 10 39 O 0.49745966954069 0.37500000000000 0.73805151894073 15.999 > 10 40 O 0.49745966954069 0.87500000000000 0.73805151894073 15.999 > 10 41 O 0.99745966954069 0.37500000000000 0.01194848105927 15.999 > 11 42 O 0.99745966954069 0.87500000000000 0.01194848105927 15.999 > 11 43 O 0.99745966954069 0.37500000000000 0.51194848105927 15.999 > 11 44 O 0.99745966954069 0.87500000000000 0.51194848105927 15.999 > 11 45 O 0.00254033045931 0.12500000000000 0.48805151894073 15.999 > 12 46 O 0.00254033045931 0.62500000000000 0.48805151894073 15.999 > 12 47 O 0.00254033045931 0.12500000000000 0.98805151894073 15.999 > 12 48 O 0.00254033045931 0.62500000000000 0.98805151894073 15.999 > 12 *49 O 0.40800757186214 0.12500000000000 0.43078035520598 15.999 > 13 50 O 0.40800757186214 0.62500000000000 0.43078035520598 15.999 > 13 51 O 0.40800757186214 0.12500000000000 0.93078035520598 15.999 > 13 52 O 0.40800757186214 0.62500000000000 0.93078035520598 15.999 > 13 53 O 0.59199242813786 0.37500000000000 0.06921964479402 15.999 > 14 54 O 0.59199242813786 0.87500000000000 0.06921964479402 15.999 > 14 55 O 0.59199242813786 0.37500000000000 0.56921964479402 15.999 > 14 56 O 0.59199242813786 0.87500000000000 0.56921964479402 15.999 > 14 57 O 0.09199242813786 0.37500000000000 0.18078035520598 15.999 > 15 58 O 0.09199242813786 0.87500000000000 0.18078035520598 15.999 > 15 59 O 0.09199242813786 0.37500000000000 0.68078035520598 15.999 > 15 60 O 0.09199242813786 0.87500000000000 0.68078035520598 15.999 > 15 61 O 0.90800757186214 0.12500000000000 0.31921964479402 15.999 > 16 62 O 0.90800757186214 0.62500000000000 0.31921964479402 15.999 > 16 63 O 0.90800757186214 0.12500000000000 0.81921964479402 15.999 > 16 64 O 0.90800757186214 0.62500000000000 0.81921964479402 15.999 > 16 *65 O 0.43302883801226 0.37500000000000 0.42854918131988 15.999 > 17 66 O 0.43302883801226 0.87500000000000 0.42854918131988 15.999 > 17 67 O 0.43302883801226 0.37500000000000 0.92854918131988 15.999 > 17 68 O 0.43302883801226 0.87500000000000 0.92854918131988 15.999 > 17 69 O 0.56697116198774 0.12500000000000 0.07145081868012 15.999 > 18 70 O 0.56697116198774 0.62500000000000 0.07145081868012 15.999 > 18 71 O 0.56697116198774 0.12500000000000 0.57145081868012 15.999 > 18 72 O 0.56697116198774 0.62500000000000 0.57145081868012 15.999 > 18 73 O 0.06697116198774 0.12500000000000 0.17854918131988 15.999 > 19 74 O 0.06697116198774 0.62500000000000 0.17854918131988 15.999 > 19 75 O 0.06697116198774 0.12500000000000 0.67854918131988 15.999 > 19 76 O 0.06697116198774 0.62500000000000 0.67854918131988 15.999 > 19 77 O 0.93302883801226 0.37500000000000 0.32145081868012 15.999 > 20 78 O 0.93302883801226 0.87500000000000 0.32145081868012 15.999 > 20 79 O 0.93302883801226 0.37500000000000 0.82145081868012 15.999 > 20 80 O 0.93302883801226 0.87500000000000 0.82145081868012 15.999 > 20 *81 Al 0.00000000000000 0.25000000000000 0.25000000000000 26.982 > 21 82 Al 0.00000000000000 0.75000000000000 0.25000000000000 26.982 > 21 83 Al 0.00000000000000 0.25000000000000 0.75000000000000 26.982 > 21 84 Al 0.00000000000000 0.75000000000000 0.75000000000000 26.982 > 21 85 Al 0.00000000000000 0.00000000000000 0.25000000000000 26.982 > 22 86 Al 0.00000000000000 0.50000000000000 0.25000000000000 26.982 > 22 87 Al 0.00000000000000 0.00000000000000 0.75000000000000 26.982 > 22 88 Al 0.00000000000000 0.50000000000000 0.75000000000000 26.982 > 22 89 Al 0.50000000000000 0.25000000000000 0.00000000000000 26.982 > 23 90 Al 0.50000000000000 0.75000000000000 0.00000000000000 26.982 > 23 91 Al 0.50000000000000 0.25000000000000 0.50000000000000 26.982 > 23 92 Al 0.50000000000000 0.75000000000000 0.50000000000000 26.982 > 23 93 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 24 94 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 24 95 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 24 96 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 24 *97 Al 0.84421945801617 0.37500000000000 0.42889703350165 26.982 > 25 98 Al 0.84421945801617 0.87500000000000 0.42889703350165 26.982 > 25 99 Al 0.84421945801617 0.37500000000000 0.92889703350165 26.982 > 25 100 Al 0.84421945801617 0.87500000000000 0.92889703350165 26.982 > 25 101 Al 0.15578054198383 0.12500000000000 0.07110296649835 26.982 > 26 102 Al 0.15578054198383 0.62500000000000 0.07110296649835 26.982 > 26 103 Al 0.15578054198383 0.12500000000000 0.57110296649835 26.982 > 26 104 Al 0.15578054198383 0.62500000000000 0.57110296649835 26.982 > 26 105 Al 0.65578054198383 0.12500000000000 0.17889703350165 26.982 > 27 106 Al 0.65578054198383 0.62500000000000 0.17889703350165 26.982 > 27 107 Al 0.65578054198383 0.12500000000000 0.67889703350165 26.982 > 27 108 Al 0.65578054198383 0.62500000000000 0.67889703350165 26.982 > 27 109 Al 0.34421945801617 0.37500000000000 0.32110296649835 26.982 > 28 110 Al 0.34421945801617 0.87500000000000 0.32110296649835 26.982 > 28 111 Al 0.34421945801617 0.37500000000000 0.82110296649835 26.982 > 28 112 Al 0.34421945801617 0.87500000000000 0.82110296649835 26.982 > 28 *113 Si 0.33983070839636 0.12500000000000 0.32693579190800 28.085 > 29 114 Si 0.33983070839636 0.62500000000000 0.32693579190800 28.085 > 29 115 Si 0.33983070839636 0.12500000000000 0.82693579190800 28.085 > 29 116 Si 0.33983070839636 0.62500000000000 0.82693579190800 28.085 > 29 117 Si 0.66016929160364 0.37500000000000 0.17306420809200 28.085 > 30 118 Si 0.66016929160364 0.87500000000000 0.17306420809200 28.085 > 30 119 Si 0.66016929160364 0.37500000000000 0.67306420809200 28.085 > 30 120 Si 0.66016929160364 0.87500000000000 0.67306420809200 28.085 > 30 121 Si 0.16016929160364 0.37500000000000 0.07693579190800 28.085 > 31 122 Si 0.16016929160364 0.87500000000000 0.07693579190800 28.085 > 31 123 Si 0.16016929160364 0.37500000000000 0.57693579190800 28.085 > 31 124 Si 0.16016929160364 0.87500000000000 0.57693579190800 28.085 > 31 125 Si 0.83983070839636 0.12500000000000 0.42306420809200 28.085 > 32 126 Si 0.83983070839636 0.62500000000000 0.42306420809200 28.085 > 32 127 Si 0.83983070839636 0.12500000000000 0.92306420809200 28.085 > 32 128 Si 0.83983070839636 0.62500000000000 0.92306420809200 28.085 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8993406 0.0000000 0.0000000 0.0000000 2.9602888 0.0000000 0.0000000 0.0000000 2.8939176 -------------------------- Born effective charges -------------------------- 1 O -1.9339684 0.1564976 0.3558758 0.1826664 -2.1008985 -0.0660840 0.3136840 -0.1029124 -1.3186801 2 O -1.9339684 -0.1564976 0.3558758 -0.1826664 -2.1008985 0.0660840 0.3136840 0.1029124 -1.3186801 3 O -1.9339684 0.1564976 -0.3558758 0.1826664 -2.1008985 0.0660840 -0.3136840 0.1029124 -1.3186801 4 O -1.9339684 -0.1564976 -0.3558758 -0.1826664 -2.1008985 -0.0660840 -0.3136840 -0.1029124 -1.3186801 5 O -1.9339684 0.1564976 0.3558758 0.1826664 -2.1008985 -0.0660840 0.3136840 -0.1029124 -1.3186801 6 O -1.9339684 -0.1564976 0.3558758 -0.1826664 -2.1008985 0.0660840 0.3136840 0.1029124 -1.3186801 7 O -1.9339684 0.1564976 -0.3558758 0.1826664 -2.1008985 0.0660840 -0.3136840 0.1029124 -1.3186801 8 O -1.9339684 -0.1564976 -0.3558758 -0.1826664 -2.1008985 -0.0660840 -0.3136840 -0.1029124 -1.3186801 9 O -2.0181968 0.0000000 0.7673916 0.0000000 -1.3283252 0.0000000 0.7297024 0.0000000 -1.9033313 10 O -2.0181968 0.0000000 0.7673916 0.0000000 -1.3283252 0.0000000 0.7297024 0.0000000 -1.9033313 11 O -2.0181968 0.0000000 -0.7673916 0.0000000 -1.3283252 0.0000000 -0.7297024 0.0000000 -1.9033313 12 O -2.0181968 0.0000000 -0.7673916 0.0000000 -1.3283252 0.0000000 -0.7297024 0.0000000 -1.9033313 13 O -1.4852233 0.0000000 -0.3289534 0.0000000 -1.7589791 0.0000000 -0.4475582 0.0000000 -2.3327758 14 O -1.4852233 0.0000000 -0.3289534 0.0000000 -1.7589791 0.0000000 -0.4475582 0.0000000 -2.3327758 15 O -1.4852233 0.0000000 0.3289534 0.0000000 -1.7589791 0.0000000 0.4475582 0.0000000 -2.3327758 16 O -1.4852233 0.0000000 0.3289534 0.0000000 -1.7589791 0.0000000 0.4475582 0.0000000 -2.3327758 17 O -1.5191319 0.0000000 -0.2267601 0.0000000 -1.9384687 0.0000000 -0.3375158 0.0000000 -2.1151185 18 O -1.5191319 0.0000000 -0.2267601 0.0000000 -1.9384687 0.0000000 -0.3375158 0.0000000 -2.1151185 19 O -1.5191319 0.0000000 0.2267601 0.0000000 -1.9384687 0.0000000 0.3375158 0.0000000 -2.1151185 20 O -1.5191319 0.0000000 0.2267601 0.0000000 -1.9384687 0.0000000 0.3375158 0.0000000 -2.1151185 21 Al 3.1275885 0.0380423 0.2047520 -0.1099660 3.1313325 -0.0885577 -0.0617365 -0.1209632 2.8668458 22 Al 3.1275885 -0.0380423 0.2047520 0.1099660 3.1313325 0.0885577 -0.0617365 0.1209632 2.8668458 23 Al 3.1275885 0.0380423 -0.2047520 -0.1099660 3.1313325 0.0885577 0.0617365 0.1209632 2.8668458 24 Al 3.1275885 -0.0380423 -0.2047520 0.1099660 3.1313325 -0.0885577 0.0617365 -0.1209632 2.8668458 25 Al 2.6533823 0.0000000 0.0545642 0.0000000 2.9423201 0.0000000 -0.0193086 0.0000000 2.8658496 26 Al 2.6533823 0.0000000 0.0545642 0.0000000 2.9423201 0.0000000 -0.0193086 0.0000000 2.8658496 27 Al 2.6533823 0.0000000 -0.0545642 0.0000000 2.9423201 0.0000000 0.0193086 0.0000000 2.8658496 28 Al 2.6533823 0.0000000 -0.0545642 0.0000000 2.9423201 0.0000000 0.0193086 0.0000000 2.8658496 29 Si 3.1095181 0.0000000 0.0067101 0.0000000 3.1539174 0.0000000 0.0438796 0.0000000 3.2558904 30 Si 3.1095181 0.0000000 0.0067101 0.0000000 3.1539174 0.0000000 0.0438796 0.0000000 3.2558904 31 Si 3.1095181 0.0000000 -0.0067101 0.0000000 3.1539174 0.0000000 -0.0438796 0.0000000 3.2558904 32 Si 3.1095181 0.0000000 -0.0067101 0.0000000 3.1539174 0.0000000 -0.0438796 0.0000000 3.2558904 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2483 Number of blocks in projector: 2483 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: 614 Use submatrix version of eigh solver. (1) Block: 500 / 614 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 614 / 614 (1) 104 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 414 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 414 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 347 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 347 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 347 Use standard eigh solver. Tree of FC basis block matrices: - (2483, 2440), data: False |-- (347, 340), data: True |-- (347, 340), data: True |-- (347, 340), data: True |-- (414, 410), data: True |-- (414, 410), data: True |-- (614, 600), data: False |-- (614, 10), data: (614, 24) @ (24, 10) |-- (114, 104), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 0.817 Solver_block: 200 / 480 - Time: 0.986 Solver_block: 300 / 480 - Time: 1.083 Solver_block: 400 / 480 - Time: 0.980 Solver_block: 480 / 480 - Time: 0.580 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.735 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xz) 0.00000000 (xz) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2483 Number of blocks in projector: 2483 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: 614 Use submatrix version of eigh solver. (1) Block: 500 / 614 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 614 / 614 (1) 104 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 414 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 414 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 347 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 347 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 347 Use standard eigh solver. Tree of FC basis block matrices: - (2483, 2440), data: False |-- (347, 340), data: True |-- (347, 340), data: True |-- (347, 340), data: True |-- (414, 410), data: True |-- (414, 410), data: True |-- (614, 600), data: False |-- (614, 10), data: (614, 24) @ (24, 10) |-- (114, 104), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xz) -0.00000000 (xz) 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 20:32:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:32:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.693345479999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.789757599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.517011439999999 Atomic positions (fractional): 1 O 0.27856116317954 0.51411770693415 0.12633972365824 15.999 2 O 0.72143883682046 0.01411770693415 0.87366027634176 15.999 3 O 0.22143883682046 0.48588229306585 0.62633972365824 15.999 4 O 0.77856116317954 0.98588229306585 0.37366027634176 15.999 5 O 0.72143883682046 0.48588229306585 0.87366027634176 15.999 6 O 0.27856116317954 0.98588229306585 0.12633972365824 15.999 7 O 0.77856116317954 0.51411770693415 0.37366027634176 15.999 8 O 0.22143883682046 0.01411770693415 0.62633972365824 15.999 9 O 0.50254033045931 0.25000000000000 0.52389696211853 15.999 10 O 0.49745966954069 0.75000000000000 0.47610303788147 15.999 11 O 0.99745966954069 0.75000000000000 0.02389696211853 15.999 12 O 0.00254033045931 0.25000000000000 0.97610303788147 15.999 13 O 0.40800757186214 0.25000000000000 0.86156071041197 15.999 14 O 0.59199242813786 0.75000000000000 0.13843928958803 15.999 15 O 0.09199242813786 0.75000000000000 0.36156071041197 15.999 16 O 0.90800757186214 0.25000000000000 0.63843928958803 15.999 17 O 0.43302883801226 0.75000000000000 0.85709836263976 15.999 18 O 0.56697116198774 0.25000000000000 0.14290163736024 15.999 19 O 0.06697116198774 0.25000000000000 0.35709836263975 15.999 20 O 0.93302883801226 0.75000000000000 0.64290163736024 15.999 21 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 22 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 23 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 24 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 25 Al 0.84421945801617 0.75000000000000 0.85779406700329 26.982 26 Al 0.15578054198383 0.25000000000000 0.14220593299671 26.982 27 Al 0.65578054198383 0.25000000000000 0.35779406700329 26.982 28 Al 0.34421945801617 0.75000000000000 0.64220593299671 26.982 29 Si 0.33983070839636 0.25000000000000 0.65387158381599 28.085 30 Si 0.66016929160364 0.75000000000000 0.34612841618401 28.085 31 Si 0.16016929160364 0.75000000000000 0.15387158381599 28.085 32 Si 0.83983070839636 0.25000000000000 0.84612841618401 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.693345479999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.579515199999998 0.000000000000000 c 0.000000000000000 0.000000000000000 15.034022879999998 Atomic positions (fractional): 1 O 0.27856116317954 0.25705885346708 0.06316986182912 15.999 > 1 2 O 0.27856116317954 0.75705885346708 0.06316986182912 15.999 > 1 3 O 0.27856116317954 0.25705885346708 0.56316986182912 15.999 > 1 4 O 0.27856116317954 0.75705885346708 0.56316986182912 15.999 > 1 5 O 0.72143883682046 0.00705885346708 0.43683013817088 15.999 > 5 6 O 0.72143883682046 0.50705885346708 0.43683013817088 15.999 > 5 7 O 0.72143883682046 0.00705885346708 0.93683013817088 15.999 > 5 8 O 0.72143883682046 0.50705885346708 0.93683013817088 15.999 > 5 9 O 0.22143883682046 0.24294114653292 0.31316986182912 15.999 > 9 10 O 0.22143883682046 0.74294114653292 0.31316986182912 15.999 > 9 11 O 0.22143883682046 0.24294114653292 0.81316986182912 15.999 > 9 12 O 0.22143883682046 0.74294114653292 0.81316986182912 15.999 > 9 13 O 0.77856116317954 0.49294114653292 0.18683013817088 15.999 > 13 14 O 0.77856116317954 0.99294114653292 0.18683013817088 15.999 > 13 15 O 0.77856116317954 0.49294114653292 0.68683013817088 15.999 > 13 16 O 0.77856116317954 0.99294114653292 0.68683013817088 15.999 > 13 17 O 0.72143883682046 0.24294114653292 0.43683013817088 15.999 > 17 18 O 0.72143883682046 0.74294114653292 0.43683013817088 15.999 > 17 19 O 0.72143883682046 0.24294114653292 0.93683013817088 15.999 > 17 20 O 0.72143883682046 0.74294114653292 0.93683013817088 15.999 > 17 21 O 0.27856116317954 0.49294114653292 0.06316986182912 15.999 > 21 22 O 0.27856116317954 0.99294114653292 0.06316986182912 15.999 > 21 23 O 0.27856116317954 0.49294114653292 0.56316986182912 15.999 > 21 24 O 0.27856116317954 0.99294114653292 0.56316986182912 15.999 > 21 25 O 0.77856116317954 0.25705885346708 0.18683013817088 15.999 > 25 26 O 0.77856116317954 0.75705885346708 0.18683013817088 15.999 > 25 27 O 0.77856116317954 0.25705885346708 0.68683013817088 15.999 > 25 28 O 0.77856116317954 0.75705885346708 0.68683013817088 15.999 > 25 29 O 0.22143883682046 0.00705885346708 0.31316986182912 15.999 > 29 30 O 0.22143883682046 0.50705885346708 0.31316986182912 15.999 > 29 31 O 0.22143883682046 0.00705885346708 0.81316986182912 15.999 > 29 32 O 0.22143883682046 0.50705885346708 0.81316986182912 15.999 > 29 33 O 0.50254033045931 0.12500000000000 0.26194848105927 15.999 > 33 34 O 0.50254033045931 0.62500000000000 0.26194848105927 15.999 > 33 35 O 0.50254033045931 0.12500000000000 0.76194848105927 15.999 > 33 36 O 0.50254033045931 0.62500000000000 0.76194848105927 15.999 > 33 37 O 0.49745966954069 0.37500000000000 0.23805151894073 15.999 > 37 38 O 0.49745966954069 0.87500000000000 0.23805151894073 15.999 > 37 39 O 0.49745966954069 0.37500000000000 0.73805151894073 15.999 > 37 40 O 0.49745966954069 0.87500000000000 0.73805151894073 15.999 > 37 41 O 0.99745966954069 0.37500000000000 0.01194848105927 15.999 > 41 42 O 0.99745966954069 0.87500000000000 0.01194848105927 15.999 > 41 43 O 0.99745966954069 0.37500000000000 0.51194848105927 15.999 > 41 44 O 0.99745966954069 0.87500000000000 0.51194848105927 15.999 > 41 45 O 0.00254033045931 0.12500000000000 0.48805151894073 15.999 > 45 46 O 0.00254033045931 0.62500000000000 0.48805151894073 15.999 > 45 47 O 0.00254033045931 0.12500000000000 0.98805151894073 15.999 > 45 48 O 0.00254033045931 0.62500000000000 0.98805151894073 15.999 > 45 49 O 0.40800757186214 0.12500000000000 0.43078035520598 15.999 > 49 50 O 0.40800757186214 0.62500000000000 0.43078035520598 15.999 > 49 51 O 0.40800757186214 0.12500000000000 0.93078035520598 15.999 > 49 52 O 0.40800757186214 0.62500000000000 0.93078035520598 15.999 > 49 53 O 0.59199242813786 0.37500000000000 0.06921964479402 15.999 > 53 54 O 0.59199242813786 0.87500000000000 0.06921964479402 15.999 > 53 55 O 0.59199242813786 0.37500000000000 0.56921964479402 15.999 > 53 56 O 0.59199242813786 0.87500000000000 0.56921964479402 15.999 > 53 57 O 0.09199242813786 0.37500000000000 0.18078035520598 15.999 > 57 58 O 0.09199242813786 0.87500000000000 0.18078035520598 15.999 > 57 59 O 0.09199242813786 0.37500000000000 0.68078035520598 15.999 > 57 60 O 0.09199242813786 0.87500000000000 0.68078035520598 15.999 > 57 61 O 0.90800757186214 0.12500000000000 0.31921964479402 15.999 > 61 62 O 0.90800757186214 0.62500000000000 0.31921964479402 15.999 > 61 63 O 0.90800757186214 0.12500000000000 0.81921964479402 15.999 > 61 64 O 0.90800757186214 0.62500000000000 0.81921964479402 15.999 > 61 65 O 0.43302883801226 0.37500000000000 0.42854918131988 15.999 > 65 66 O 0.43302883801226 0.87500000000000 0.42854918131988 15.999 > 65 67 O 0.43302883801226 0.37500000000000 0.92854918131988 15.999 > 65 68 O 0.43302883801226 0.87500000000000 0.92854918131988 15.999 > 65 69 O 0.56697116198774 0.12500000000000 0.07145081868012 15.999 > 69 70 O 0.56697116198774 0.62500000000000 0.07145081868012 15.999 > 69 71 O 0.56697116198774 0.12500000000000 0.57145081868012 15.999 > 69 72 O 0.56697116198774 0.62500000000000 0.57145081868012 15.999 > 69 73 O 0.06697116198774 0.12500000000000 0.17854918131988 15.999 > 73 74 O 0.06697116198774 0.62500000000000 0.17854918131988 15.999 > 73 75 O 0.06697116198774 0.12500000000000 0.67854918131988 15.999 > 73 76 O 0.06697116198774 0.62500000000000 0.67854918131988 15.999 > 73 77 O 0.93302883801226 0.37500000000000 0.32145081868012 15.999 > 77 78 O 0.93302883801226 0.87500000000000 0.32145081868012 15.999 > 77 79 O 0.93302883801226 0.37500000000000 0.82145081868012 15.999 > 77 80 O 0.93302883801226 0.87500000000000 0.82145081868012 15.999 > 77 81 Al 0.00000000000000 0.25000000000000 0.25000000000000 26.982 > 81 82 Al 0.00000000000000 0.75000000000000 0.25000000000000 26.982 > 81 83 Al 0.00000000000000 0.25000000000000 0.75000000000000 26.982 > 81 84 Al 0.00000000000000 0.75000000000000 0.75000000000000 26.982 > 81 85 Al 0.00000000000000 0.00000000000000 0.25000000000000 26.982 > 85 86 Al 0.00000000000000 0.50000000000000 0.25000000000000 26.982 > 85 87 Al 0.00000000000000 0.00000000000000 0.75000000000000 26.982 > 85 88 Al 0.00000000000000 0.50000000000000 0.75000000000000 26.982 > 85 89 Al 0.50000000000000 0.25000000000000 0.00000000000000 26.982 > 89 90 Al 0.50000000000000 0.75000000000000 0.00000000000000 26.982 > 89 91 Al 0.50000000000000 0.25000000000000 0.50000000000000 26.982 > 89 92 Al 0.50000000000000 0.75000000000000 0.50000000000000 26.982 > 89 93 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 93 94 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 93 95 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 93 96 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 93 97 Al 0.84421945801617 0.37500000000000 0.42889703350165 26.982 > 97 98 Al 0.84421945801617 0.87500000000000 0.42889703350165 26.982 > 97 99 Al 0.84421945801617 0.37500000000000 0.92889703350165 26.982 > 97 100 Al 0.84421945801617 0.87500000000000 0.92889703350165 26.982 > 97 101 Al 0.15578054198383 0.12500000000000 0.07110296649835 26.982 > 101 102 Al 0.15578054198383 0.62500000000000 0.07110296649835 26.982 > 101 103 Al 0.15578054198383 0.12500000000000 0.57110296649835 26.982 > 101 104 Al 0.15578054198383 0.62500000000000 0.57110296649835 26.982 > 101 105 Al 0.65578054198383 0.12500000000000 0.17889703350165 26.982 > 105 106 Al 0.65578054198383 0.62500000000000 0.17889703350165 26.982 > 105 107 Al 0.65578054198383 0.12500000000000 0.67889703350165 26.982 > 105 108 Al 0.65578054198383 0.62500000000000 0.67889703350165 26.982 > 105 109 Al 0.34421945801617 0.37500000000000 0.32110296649835 26.982 > 109 110 Al 0.34421945801617 0.87500000000000 0.32110296649835 26.982 > 109 111 Al 0.34421945801617 0.37500000000000 0.82110296649835 26.982 > 109 112 Al 0.34421945801617 0.87500000000000 0.82110296649835 26.982 > 109 113 Si 0.33983070839636 0.12500000000000 0.32693579190800 28.085 > 113 114 Si 0.33983070839636 0.62500000000000 0.32693579190800 28.085 > 113 115 Si 0.33983070839636 0.12500000000000 0.82693579190800 28.085 > 113 116 Si 0.33983070839636 0.62500000000000 0.82693579190800 28.085 > 113 117 Si 0.66016929160364 0.37500000000000 0.17306420809200 28.085 > 117 118 Si 0.66016929160364 0.87500000000000 0.17306420809200 28.085 > 117 119 Si 0.66016929160364 0.37500000000000 0.67306420809200 28.085 > 117 120 Si 0.66016929160364 0.87500000000000 0.67306420809200 28.085 > 117 121 Si 0.16016929160364 0.37500000000000 0.07693579190800 28.085 > 121 122 Si 0.16016929160364 0.87500000000000 0.07693579190800 28.085 > 121 123 Si 0.16016929160364 0.37500000000000 0.57693579190800 28.085 > 121 124 Si 0.16016929160364 0.87500000000000 0.57693579190800 28.085 > 121 125 Si 0.83983070839636 0.12500000000000 0.42306420809200 28.085 > 125 126 Si 0.83983070839636 0.62500000000000 0.42306420809200 28.085 > 125 127 Si 0.83983070839636 0.12500000000000 0.92306420809200 28.085 > 125 128 Si 0.83983070839636 0.62500000000000 0.92306420809200 28.085 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8993406 0.0000000 0.0000000 0.0000000 2.9602888 0.0000000 0.0000000 0.0000000 2.8939176 -------------------------- Born effective charges -------------------------- 1 O -1.9339684 0.1564976 0.3558758 0.1826664 -2.1008985 -0.0660840 0.3136840 -0.1029124 -1.3186801 2 O -1.9339684 -0.1564976 0.3558758 -0.1826664 -2.1008985 0.0660840 0.3136840 0.1029124 -1.3186801 3 O -1.9339684 0.1564976 -0.3558758 0.1826664 -2.1008985 0.0660840 -0.3136840 0.1029124 -1.3186801 4 O -1.9339684 -0.1564976 -0.3558758 -0.1826664 -2.1008985 -0.0660840 -0.3136840 -0.1029124 -1.3186801 5 O -1.9339684 0.1564976 0.3558758 0.1826664 -2.1008985 -0.0660840 0.3136840 -0.1029124 -1.3186801 6 O -1.9339684 -0.1564976 0.3558758 -0.1826664 -2.1008985 0.0660840 0.3136840 0.1029124 -1.3186801 7 O -1.9339684 0.1564976 -0.3558758 0.1826664 -2.1008985 0.0660840 -0.3136840 0.1029124 -1.3186801 8 O -1.9339684 -0.1564976 -0.3558758 -0.1826664 -2.1008985 -0.0660840 -0.3136840 -0.1029124 -1.3186801 9 O -2.0181968 0.0000000 0.7673916 0.0000000 -1.3283252 0.0000000 0.7297024 0.0000000 -1.9033313 10 O -2.0181968 0.0000000 0.7673916 0.0000000 -1.3283252 0.0000000 0.7297024 0.0000000 -1.9033313 11 O -2.0181968 0.0000000 -0.7673916 0.0000000 -1.3283252 0.0000000 -0.7297024 0.0000000 -1.9033313 12 O -2.0181968 0.0000000 -0.7673916 0.0000000 -1.3283252 0.0000000 -0.7297024 0.0000000 -1.9033313 13 O -1.4852233 0.0000000 -0.3289534 0.0000000 -1.7589791 0.0000000 -0.4475582 0.0000000 -2.3327758 14 O -1.4852233 0.0000000 -0.3289534 0.0000000 -1.7589791 0.0000000 -0.4475582 0.0000000 -2.3327758 15 O -1.4852233 0.0000000 0.3289534 0.0000000 -1.7589791 0.0000000 0.4475582 0.0000000 -2.3327758 16 O -1.4852233 0.0000000 0.3289534 0.0000000 -1.7589791 0.0000000 0.4475582 0.0000000 -2.3327758 17 O -1.5191319 0.0000000 -0.2267601 0.0000000 -1.9384687 0.0000000 -0.3375158 0.0000000 -2.1151185 18 O -1.5191319 0.0000000 -0.2267601 0.0000000 -1.9384687 0.0000000 -0.3375158 0.0000000 -2.1151185 19 O -1.5191319 0.0000000 0.2267601 0.0000000 -1.9384687 0.0000000 0.3375158 0.0000000 -2.1151185 20 O -1.5191319 0.0000000 0.2267601 0.0000000 -1.9384687 0.0000000 0.3375158 0.0000000 -2.1151185 21 Al 3.1275885 0.0380423 0.2047520 -0.1099660 3.1313325 -0.0885577 -0.0617365 -0.1209632 2.8668458 22 Al 3.1275885 -0.0380423 0.2047520 0.1099660 3.1313325 0.0885577 -0.0617365 0.1209632 2.8668458 23 Al 3.1275885 0.0380423 -0.2047520 -0.1099660 3.1313325 0.0885577 0.0617365 0.1209632 2.8668458 24 Al 3.1275885 -0.0380423 -0.2047520 0.1099660 3.1313325 -0.0885577 0.0617365 -0.1209632 2.8668458 25 Al 2.6533823 0.0000000 0.0545642 0.0000000 2.9423201 0.0000000 -0.0193086 0.0000000 2.8658496 26 Al 2.6533823 0.0000000 0.0545642 0.0000000 2.9423201 0.0000000 -0.0193086 0.0000000 2.8658496 27 Al 2.6533823 0.0000000 -0.0545642 0.0000000 2.9423201 0.0000000 0.0193086 0.0000000 2.8658496 28 Al 2.6533823 0.0000000 -0.0545642 0.0000000 2.9423201 0.0000000 0.0193086 0.0000000 2.8658496 29 Si 3.1095181 0.0000000 0.0067101 0.0000000 3.1539174 0.0000000 0.0438796 0.0000000 3.2558904 30 Si 3.1095181 0.0000000 0.0067101 0.0000000 3.1539174 0.0000000 0.0438796 0.0000000 3.2558904 31 Si 3.1095181 0.0000000 -0.0067101 0.0000000 3.1539174 0.0000000 -0.0438796 0.0000000 3.2558904 32 Si 3.1095181 0.0000000 -0.0067101 0.0000000 3.1539174 0.0000000 -0.0438796 0.0000000 3.2558904 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000004 (xxx) 0.00000004 (xxx) 0.00000004 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:33:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:33:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.693345479999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.789757599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.517011439999999 Atomic positions (fractional): 1 O 0.27856116317954 0.51411770693415 0.12633972365824 15.999 2 O 0.72143883682046 0.01411770693415 0.87366027634176 15.999 3 O 0.22143883682046 0.48588229306585 0.62633972365824 15.999 4 O 0.77856116317954 0.98588229306585 0.37366027634176 15.999 5 O 0.72143883682046 0.48588229306585 0.87366027634176 15.999 6 O 0.27856116317954 0.98588229306585 0.12633972365824 15.999 7 O 0.77856116317954 0.51411770693415 0.37366027634176 15.999 8 O 0.22143883682046 0.01411770693415 0.62633972365824 15.999 9 O 0.50254033045931 0.25000000000000 0.52389696211853 15.999 10 O 0.49745966954069 0.75000000000000 0.47610303788147 15.999 11 O 0.99745966954069 0.75000000000000 0.02389696211853 15.999 12 O 0.00254033045931 0.25000000000000 0.97610303788147 15.999 13 O 0.40800757186214 0.25000000000000 0.86156071041197 15.999 14 O 0.59199242813786 0.75000000000000 0.13843928958803 15.999 15 O 0.09199242813786 0.75000000000000 0.36156071041197 15.999 16 O 0.90800757186214 0.25000000000000 0.63843928958803 15.999 17 O 0.43302883801226 0.75000000000000 0.85709836263976 15.999 18 O 0.56697116198774 0.25000000000000 0.14290163736024 15.999 19 O 0.06697116198774 0.25000000000000 0.35709836263975 15.999 20 O 0.93302883801226 0.75000000000000 0.64290163736024 15.999 21 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 22 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 23 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 24 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 25 Al 0.84421945801617 0.75000000000000 0.85779406700329 26.982 26 Al 0.15578054198383 0.25000000000000 0.14220593299671 26.982 27 Al 0.65578054198383 0.25000000000000 0.35779406700329 26.982 28 Al 0.34421945801617 0.75000000000000 0.64220593299671 26.982 29 Si 0.33983070839636 0.25000000000000 0.65387158381599 28.085 30 Si 0.66016929160364 0.75000000000000 0.34612841618401 28.085 31 Si 0.16016929160364 0.75000000000000 0.15387158381599 28.085 32 Si 0.83983070839636 0.25000000000000 0.84612841618401 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.693345479999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.579515199999998 0.000000000000000 c 0.000000000000000 0.000000000000000 15.034022879999998 Atomic positions (fractional): 1 O 0.27856116317954 0.25705885346708 0.06316986182912 15.999 > 1 2 O 0.27856116317954 0.75705885346708 0.06316986182912 15.999 > 1 3 O 0.27856116317954 0.25705885346708 0.56316986182912 15.999 > 1 4 O 0.27856116317954 0.75705885346708 0.56316986182912 15.999 > 1 5 O 0.72143883682046 0.00705885346708 0.43683013817088 15.999 > 5 6 O 0.72143883682046 0.50705885346708 0.43683013817088 15.999 > 5 7 O 0.72143883682046 0.00705885346708 0.93683013817088 15.999 > 5 8 O 0.72143883682046 0.50705885346708 0.93683013817088 15.999 > 5 9 O 0.22143883682046 0.24294114653292 0.31316986182912 15.999 > 9 10 O 0.22143883682046 0.74294114653292 0.31316986182912 15.999 > 9 11 O 0.22143883682046 0.24294114653292 0.81316986182912 15.999 > 9 12 O 0.22143883682046 0.74294114653292 0.81316986182912 15.999 > 9 13 O 0.77856116317954 0.49294114653292 0.18683013817088 15.999 > 13 14 O 0.77856116317954 0.99294114653292 0.18683013817088 15.999 > 13 15 O 0.77856116317954 0.49294114653292 0.68683013817088 15.999 > 13 16 O 0.77856116317954 0.99294114653292 0.68683013817088 15.999 > 13 17 O 0.72143883682046 0.24294114653292 0.43683013817088 15.999 > 17 18 O 0.72143883682046 0.74294114653292 0.43683013817088 15.999 > 17 19 O 0.72143883682046 0.24294114653292 0.93683013817088 15.999 > 17 20 O 0.72143883682046 0.74294114653292 0.93683013817088 15.999 > 17 21 O 0.27856116317954 0.49294114653292 0.06316986182912 15.999 > 21 22 O 0.27856116317954 0.99294114653292 0.06316986182912 15.999 > 21 23 O 0.27856116317954 0.49294114653292 0.56316986182912 15.999 > 21 24 O 0.27856116317954 0.99294114653292 0.56316986182912 15.999 > 21 25 O 0.77856116317954 0.25705885346708 0.18683013817088 15.999 > 25 26 O 0.77856116317954 0.75705885346708 0.18683013817088 15.999 > 25 27 O 0.77856116317954 0.25705885346708 0.68683013817088 15.999 > 25 28 O 0.77856116317954 0.75705885346708 0.68683013817088 15.999 > 25 29 O 0.22143883682046 0.00705885346708 0.31316986182912 15.999 > 29 30 O 0.22143883682046 0.50705885346708 0.31316986182912 15.999 > 29 31 O 0.22143883682046 0.00705885346708 0.81316986182912 15.999 > 29 32 O 0.22143883682046 0.50705885346708 0.81316986182912 15.999 > 29 33 O 0.50254033045931 0.12500000000000 0.26194848105927 15.999 > 33 34 O 0.50254033045931 0.62500000000000 0.26194848105927 15.999 > 33 35 O 0.50254033045931 0.12500000000000 0.76194848105927 15.999 > 33 36 O 0.50254033045931 0.62500000000000 0.76194848105927 15.999 > 33 37 O 0.49745966954069 0.37500000000000 0.23805151894073 15.999 > 37 38 O 0.49745966954069 0.87500000000000 0.23805151894073 15.999 > 37 39 O 0.49745966954069 0.37500000000000 0.73805151894073 15.999 > 37 40 O 0.49745966954069 0.87500000000000 0.73805151894073 15.999 > 37 41 O 0.99745966954069 0.37500000000000 0.01194848105927 15.999 > 41 42 O 0.99745966954069 0.87500000000000 0.01194848105927 15.999 > 41 43 O 0.99745966954069 0.37500000000000 0.51194848105927 15.999 > 41 44 O 0.99745966954069 0.87500000000000 0.51194848105927 15.999 > 41 45 O 0.00254033045931 0.12500000000000 0.48805151894073 15.999 > 45 46 O 0.00254033045931 0.62500000000000 0.48805151894073 15.999 > 45 47 O 0.00254033045931 0.12500000000000 0.98805151894073 15.999 > 45 48 O 0.00254033045931 0.62500000000000 0.98805151894073 15.999 > 45 49 O 0.40800757186214 0.12500000000000 0.43078035520598 15.999 > 49 50 O 0.40800757186214 0.62500000000000 0.43078035520598 15.999 > 49 51 O 0.40800757186214 0.12500000000000 0.93078035520598 15.999 > 49 52 O 0.40800757186214 0.62500000000000 0.93078035520598 15.999 > 49 53 O 0.59199242813786 0.37500000000000 0.06921964479402 15.999 > 53 54 O 0.59199242813786 0.87500000000000 0.06921964479402 15.999 > 53 55 O 0.59199242813786 0.37500000000000 0.56921964479402 15.999 > 53 56 O 0.59199242813786 0.87500000000000 0.56921964479402 15.999 > 53 57 O 0.09199242813786 0.37500000000000 0.18078035520598 15.999 > 57 58 O 0.09199242813786 0.87500000000000 0.18078035520598 15.999 > 57 59 O 0.09199242813786 0.37500000000000 0.68078035520598 15.999 > 57 60 O 0.09199242813786 0.87500000000000 0.68078035520598 15.999 > 57 61 O 0.90800757186214 0.12500000000000 0.31921964479402 15.999 > 61 62 O 0.90800757186214 0.62500000000000 0.31921964479402 15.999 > 61 63 O 0.90800757186214 0.12500000000000 0.81921964479402 15.999 > 61 64 O 0.90800757186214 0.62500000000000 0.81921964479402 15.999 > 61 65 O 0.43302883801226 0.37500000000000 0.42854918131988 15.999 > 65 66 O 0.43302883801226 0.87500000000000 0.42854918131988 15.999 > 65 67 O 0.43302883801226 0.37500000000000 0.92854918131988 15.999 > 65 68 O 0.43302883801226 0.87500000000000 0.92854918131988 15.999 > 65 69 O 0.56697116198774 0.12500000000000 0.07145081868012 15.999 > 69 70 O 0.56697116198774 0.62500000000000 0.07145081868012 15.999 > 69 71 O 0.56697116198774 0.12500000000000 0.57145081868012 15.999 > 69 72 O 0.56697116198774 0.62500000000000 0.57145081868012 15.999 > 69 73 O 0.06697116198774 0.12500000000000 0.17854918131988 15.999 > 73 74 O 0.06697116198774 0.62500000000000 0.17854918131988 15.999 > 73 75 O 0.06697116198774 0.12500000000000 0.67854918131988 15.999 > 73 76 O 0.06697116198774 0.62500000000000 0.67854918131988 15.999 > 73 77 O 0.93302883801226 0.37500000000000 0.32145081868012 15.999 > 77 78 O 0.93302883801226 0.87500000000000 0.32145081868012 15.999 > 77 79 O 0.93302883801226 0.37500000000000 0.82145081868012 15.999 > 77 80 O 0.93302883801226 0.87500000000000 0.82145081868012 15.999 > 77 81 Al 0.00000000000000 0.25000000000000 0.25000000000000 26.982 > 81 82 Al 0.00000000000000 0.75000000000000 0.25000000000000 26.982 > 81 83 Al 0.00000000000000 0.25000000000000 0.75000000000000 26.982 > 81 84 Al 0.00000000000000 0.75000000000000 0.75000000000000 26.982 > 81 85 Al 0.00000000000000 0.00000000000000 0.25000000000000 26.982 > 85 86 Al 0.00000000000000 0.50000000000000 0.25000000000000 26.982 > 85 87 Al 0.00000000000000 0.00000000000000 0.75000000000000 26.982 > 85 88 Al 0.00000000000000 0.50000000000000 0.75000000000000 26.982 > 85 89 Al 0.50000000000000 0.25000000000000 0.00000000000000 26.982 > 89 90 Al 0.50000000000000 0.75000000000000 0.00000000000000 26.982 > 89 91 Al 0.50000000000000 0.25000000000000 0.50000000000000 26.982 > 89 92 Al 0.50000000000000 0.75000000000000 0.50000000000000 26.982 > 89 93 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 93 94 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 93 95 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 93 96 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 93 97 Al 0.84421945801617 0.37500000000000 0.42889703350165 26.982 > 97 98 Al 0.84421945801617 0.87500000000000 0.42889703350165 26.982 > 97 99 Al 0.84421945801617 0.37500000000000 0.92889703350165 26.982 > 97 100 Al 0.84421945801617 0.87500000000000 0.92889703350165 26.982 > 97 101 Al 0.15578054198383 0.12500000000000 0.07110296649835 26.982 > 101 102 Al 0.15578054198383 0.62500000000000 0.07110296649835 26.982 > 101 103 Al 0.15578054198383 0.12500000000000 0.57110296649835 26.982 > 101 104 Al 0.15578054198383 0.62500000000000 0.57110296649835 26.982 > 101 105 Al 0.65578054198383 0.12500000000000 0.17889703350165 26.982 > 105 106 Al 0.65578054198383 0.62500000000000 0.17889703350165 26.982 > 105 107 Al 0.65578054198383 0.12500000000000 0.67889703350165 26.982 > 105 108 Al 0.65578054198383 0.62500000000000 0.67889703350165 26.982 > 105 109 Al 0.34421945801617 0.37500000000000 0.32110296649835 26.982 > 109 110 Al 0.34421945801617 0.87500000000000 0.32110296649835 26.982 > 109 111 Al 0.34421945801617 0.37500000000000 0.82110296649835 26.982 > 109 112 Al 0.34421945801617 0.87500000000000 0.82110296649835 26.982 > 109 113 Si 0.33983070839636 0.12500000000000 0.32693579190800 28.085 > 113 114 Si 0.33983070839636 0.62500000000000 0.32693579190800 28.085 > 113 115 Si 0.33983070839636 0.12500000000000 0.82693579190800 28.085 > 113 116 Si 0.33983070839636 0.62500000000000 0.82693579190800 28.085 > 113 117 Si 0.66016929160364 0.37500000000000 0.17306420809200 28.085 > 117 118 Si 0.66016929160364 0.87500000000000 0.17306420809200 28.085 > 117 119 Si 0.66016929160364 0.37500000000000 0.67306420809200 28.085 > 117 120 Si 0.66016929160364 0.87500000000000 0.67306420809200 28.085 > 117 121 Si 0.16016929160364 0.37500000000000 0.07693579190800 28.085 > 121 122 Si 0.16016929160364 0.87500000000000 0.07693579190800 28.085 > 121 123 Si 0.16016929160364 0.37500000000000 0.57693579190800 28.085 > 121 124 Si 0.16016929160364 0.87500000000000 0.57693579190800 28.085 > 121 125 Si 0.83983070839636 0.12500000000000 0.42306420809200 28.085 > 125 126 Si 0.83983070839636 0.62500000000000 0.42306420809200 28.085 > 125 127 Si 0.83983070839636 0.12500000000000 0.92306420809200 28.085 > 125 128 Si 0.83983070839636 0.62500000000000 0.92306420809200 28.085 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8993406 0.0000000 0.0000000 0.0000000 2.9602888 0.0000000 0.0000000 0.0000000 2.8939176 -------------------------- Born effective charges -------------------------- 1 O -1.9339684 0.1564976 0.3558758 0.1826664 -2.1008985 -0.0660840 0.3136840 -0.1029124 -1.3186801 2 O -1.9339684 -0.1564976 0.3558758 -0.1826664 -2.1008985 0.0660840 0.3136840 0.1029124 -1.3186801 3 O -1.9339684 0.1564976 -0.3558758 0.1826664 -2.1008985 0.0660840 -0.3136840 0.1029124 -1.3186801 4 O -1.9339684 -0.1564976 -0.3558758 -0.1826664 -2.1008985 -0.0660840 -0.3136840 -0.1029124 -1.3186801 5 O -1.9339684 0.1564976 0.3558758 0.1826664 -2.1008985 -0.0660840 0.3136840 -0.1029124 -1.3186801 6 O -1.9339684 -0.1564976 0.3558758 -0.1826664 -2.1008985 0.0660840 0.3136840 0.1029124 -1.3186801 7 O -1.9339684 0.1564976 -0.3558758 0.1826664 -2.1008985 0.0660840 -0.3136840 0.1029124 -1.3186801 8 O -1.9339684 -0.1564976 -0.3558758 -0.1826664 -2.1008985 -0.0660840 -0.3136840 -0.1029124 -1.3186801 9 O -2.0181968 0.0000000 0.7673916 0.0000000 -1.3283252 0.0000000 0.7297024 0.0000000 -1.9033313 10 O -2.0181968 0.0000000 0.7673916 0.0000000 -1.3283252 0.0000000 0.7297024 0.0000000 -1.9033313 11 O -2.0181968 0.0000000 -0.7673916 0.0000000 -1.3283252 0.0000000 -0.7297024 0.0000000 -1.9033313 12 O -2.0181968 0.0000000 -0.7673916 0.0000000 -1.3283252 0.0000000 -0.7297024 0.0000000 -1.9033313 13 O -1.4852233 0.0000000 -0.3289534 0.0000000 -1.7589791 0.0000000 -0.4475582 0.0000000 -2.3327758 14 O -1.4852233 0.0000000 -0.3289534 0.0000000 -1.7589791 0.0000000 -0.4475582 0.0000000 -2.3327758 15 O -1.4852233 0.0000000 0.3289534 0.0000000 -1.7589791 0.0000000 0.4475582 0.0000000 -2.3327758 16 O -1.4852233 0.0000000 0.3289534 0.0000000 -1.7589791 0.0000000 0.4475582 0.0000000 -2.3327758 17 O -1.5191319 0.0000000 -0.2267601 0.0000000 -1.9384687 0.0000000 -0.3375158 0.0000000 -2.1151185 18 O -1.5191319 0.0000000 -0.2267601 0.0000000 -1.9384687 0.0000000 -0.3375158 0.0000000 -2.1151185 19 O -1.5191319 0.0000000 0.2267601 0.0000000 -1.9384687 0.0000000 0.3375158 0.0000000 -2.1151185 20 O -1.5191319 0.0000000 0.2267601 0.0000000 -1.9384687 0.0000000 0.3375158 0.0000000 -2.1151185 21 Al 3.1275885 0.0380423 0.2047520 -0.1099660 3.1313325 -0.0885577 -0.0617365 -0.1209632 2.8668458 22 Al 3.1275885 -0.0380423 0.2047520 0.1099660 3.1313325 0.0885577 -0.0617365 0.1209632 2.8668458 23 Al 3.1275885 0.0380423 -0.2047520 -0.1099660 3.1313325 0.0885577 0.0617365 0.1209632 2.8668458 24 Al 3.1275885 -0.0380423 -0.2047520 0.1099660 3.1313325 -0.0885577 0.0617365 -0.1209632 2.8668458 25 Al 2.6533823 0.0000000 0.0545642 0.0000000 2.9423201 0.0000000 -0.0193086 0.0000000 2.8658496 26 Al 2.6533823 0.0000000 0.0545642 0.0000000 2.9423201 0.0000000 -0.0193086 0.0000000 2.8658496 27 Al 2.6533823 0.0000000 -0.0545642 0.0000000 2.9423201 0.0000000 0.0193086 0.0000000 2.8658496 28 Al 2.6533823 0.0000000 -0.0545642 0.0000000 2.9423201 0.0000000 0.0193086 0.0000000 2.8658496 29 Si 3.1095181 0.0000000 0.0067101 0.0000000 3.1539174 0.0000000 0.0438796 0.0000000 3.2558904 30 Si 3.1095181 0.0000000 0.0067101 0.0000000 3.1539174 0.0000000 0.0438796 0.0000000 3.2558904 31 Si 3.1095181 0.0000000 -0.0067101 0.0000000 3.1539174 0.0000000 -0.0438796 0.0000000 3.2558904 32 Si 3.1095181 0.0000000 -0.0067101 0.0000000 3.1539174 0.0000000 -0.0438796 0.0000000 3.2558904 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (xxx) 0.00000004 (xxx) 0.00000004 (xxx) Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 9 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.60, Number of G-points: 323, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 80 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 3.285 ( 0.000 0.000 0.000) 0.000 4.014 ( 0.000 0.000 0.000) 0.000 4.063 ( 0.000 0.000 0.000) 0.000 4.226 ( 0.000 0.000 0.000) 0.000 4.597 ( 0.000 0.000 0.000) 0.000 5.216 ( 0.000 0.000 0.000) 0.000 5.309 ( 0.000 0.000 0.000) 0.000 5.454 ( 0.000 0.000 0.000) 0.000 6.040 ( 0.000 0.000 0.000) 0.000 6.256 ( 0.000 0.000 0.000) 0.000 6.700 ( 0.000 0.000 0.000) 0.000 6.908 ( 0.000 0.000 0.000) 0.000 7.020 ( 0.000 0.000 0.000) 0.000 7.248 ( 0.000 0.000 0.000) 0.000 7.341 ( 0.000 0.000 0.000) 0.000 7.490 ( 0.000 0.000 0.000) 0.000 7.505 ( 0.000 0.000 0.000) 0.000 7.859 ( 0.000 0.000 0.000) 0.000 8.598 ( 0.000 0.000 0.000) 0.000 8.746 ( 0.000 0.000 0.000) 0.000 8.800 ( 0.000 0.000 0.000) 0.000 8.999 ( 0.000 0.000 0.000) 0.000 9.032 ( 0.000 0.000 0.000) 0.000 9.062 ( 0.000 0.000 0.000) 0.000 9.216 ( 0.000 0.000 0.000) 0.000 9.334 ( 0.000 0.000 0.000) 0.000 9.398 ( 0.000 0.000 0.000) 0.000 9.643 ( 0.000 0.000 0.000) 0.000 9.689 ( 0.000 0.000 0.000) 0.000 9.898 ( 0.000 0.000 0.000) 0.000 10.164 ( 0.000 0.000 0.000) 0.000 10.291 ( 0.000 0.000 0.000) 0.000 10.771 ( 0.000 0.000 0.000) 0.000 10.850 ( 0.000 0.000 0.000) 0.000 11.025 ( 0.000 0.000 0.000) 0.000 11.301 ( 0.000 0.000 0.000) 0.000 11.380 ( 0.000 0.000 0.000) 0.000 11.735 ( 0.000 0.000 0.000) 0.000 12.077 ( 0.000 0.000 0.000) 0.000 12.109 ( 0.000 0.000 0.000) 0.000 12.464 ( 0.000 0.000 0.000) 0.000 12.604 ( 0.000 0.000 0.000) 0.000 12.767 ( 0.000 0.000 0.000) 0.000 12.986 ( 0.000 0.000 0.000) 0.000 12.990 ( 0.000 0.000 0.000) 0.000 13.134 ( 0.000 0.000 0.000) 0.000 13.835 ( 0.000 0.000 0.000) 0.000 14.182 ( 0.000 0.000 0.000) 0.000 14.315 ( 0.000 0.000 0.000) 0.000 14.888 ( 0.000 0.000 0.000) 0.000 15.197 ( 0.000 0.000 0.000) 0.000 15.350 ( 0.000 0.000 0.000) 0.000 15.866 ( 0.000 0.000 0.000) 0.000 16.408 ( 0.000 0.000 0.000) 0.000 16.536 ( 0.000 0.000 0.000) 0.000 17.300 ( 0.000 0.000 0.000) 0.000 17.459 ( 0.000 0.000 0.000) 0.000 17.576 ( 0.000 0.000 0.000) 0.000 17.678 ( 0.000 0.000 0.000) 0.000 17.913 ( 0.000 0.000 0.000) 0.000 18.445 ( 0.000 0.000 0.000) 0.000 18.491 ( 0.000 0.000 0.000) 0.000 18.504 ( 0.000 0.000 0.000) 0.000 18.505 ( 0.000 0.000 0.000) 0.000 18.749 ( 0.000 0.000 0.000) 0.000 20.133 ( 0.000 0.000 0.000) 0.000 20.248 ( 0.000 0.000 0.000) 0.000 20.361 ( 0.000 0.000 0.000) 0.000 20.700 ( 0.000 0.000 0.000) 0.000 20.747 ( 0.000 0.000 0.000) 0.000 20.880 ( 0.000 0.000 0.000) 0.000 21.238 ( 0.000 0.000 0.000) 0.000 22.545 ( 0.000 0.000 0.000) 0.000 23.153 ( 0.000 0.000 0.000) 0.000 23.269 ( 0.000 0.000 0.000) 0.000 23.967 ( 0.000 0.000 0.000) 0.000 24.094 ( 0.000 0.000 0.000) 0.000 25.632 ( 0.000 0.000 0.000) 0.000 25.955 ( 0.000 0.000 0.000) 0.000 26.387 ( 0.000 0.000 0.000) 0.000 26.462 ( 0.000 0.000 0.000) 0.000 26.469 ( 0.000 0.000 0.000) 0.000 26.485 ( 0.000 0.000 0.000) 0.000 26.510 ( 0.000 0.000 0.000) 0.000 26.680 ( 0.000 0.000 0.000) 0.000 27.944 ( 0.000 0.000 0.000) 0.000 27.959 ( 0.000 0.000 0.000) 0.000 28.074 ( 0.000 0.000 0.000) 0.000 30.309 ( 0.000 0.000 0.000) 0.000 33.409 ( 0.000 0.000 0.000) 0.000 33.560 ( 0.000 0.000 0.000) 0.000 34.474 ( 0.000 0.000 0.000) 0.000 34.711 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 44.153 0.000 0.000) 44.153 1.246 ( 56.991 0.000 0.000) 56.991 1.722 ( 76.764 0.000 0.000) 76.764 3.400 ( 10.417 0.000 0.000) 10.417 4.018 ( -14.239 0.000 0.000) 14.239 4.090 ( 6.809 0.000 0.000) 6.809 4.154 ( 4.245 0.000 0.000) 4.245 4.571 ( -2.842 0.000 0.000) 2.842 5.196 ( -9.558 0.000 0.000) 9.558 5.256 ( -17.480 0.000 0.000) 17.480 5.385 ( 14.528 0.000 0.000) 14.528 5.554 ( -35.665 0.000 0.000) 35.665 6.350 ( 7.673 0.000 0.000) 7.673 6.832 ( -8.630 0.000 0.000) 8.630 6.847 ( 8.829 0.000 0.000) 8.829 7.086 ( -6.983 0.000 0.000) 6.983 7.203 ( -20.921 0.000 0.000) 20.921 7.398 ( 22.394 0.000 0.000) 22.394 7.422 ( 6.773 0.000 0.000) 6.773 7.509 ( -1.375 0.000 0.000) 1.375 7.972 ( 7.150 0.000 0.000) 7.150 8.335 ( -21.184 0.000 0.000) 21.184 8.655 ( 2.031 0.000 0.000) 2.031 8.728 ( -12.216 0.000 0.000) 12.216 8.796 ( -5.472 0.000 0.000) 5.472 9.053 ( -12.094 0.000 0.000) 12.094 9.120 ( -3.846 0.000 0.000) 3.846 9.285 ( 16.888 0.000 0.000) 16.888 9.438 ( 4.313 0.000 0.000) 4.313 9.590 ( -11.109 0.000 0.000) 11.109 9.724 ( 9.599 0.000 0.000) 9.599 9.792 ( -2.678 0.000 0.000) 2.678 9.937 ( 5.665 0.000 0.000) 5.665 10.133 ( -3.472 0.000 0.000) 3.472 10.210 ( 5.612 0.000 0.000) 5.612 10.700 ( -9.597 0.000 0.000) 9.597 10.952 ( 15.422 0.000 0.000) 15.422 11.198 ( -13.955 0.000 0.000) 13.955 11.232 ( 13.861 0.000 0.000) 13.861 11.606 ( 13.472 0.000 0.000) 13.472 11.680 ( -2.081 0.000 0.000) 2.081 11.804 ( -2.682 0.000 0.000) 2.682 12.393 ( -24.418 0.000 0.000) 24.418 12.449 ( 12.999 0.000 0.000) 12.999 12.611 ( 0.669 0.000 0.000) 0.669 12.752 ( -1.291 0.000 0.000) 1.291 12.960 ( -2.953 0.000 0.000) 2.953 13.135 ( 4.172 0.000 0.000) 4.172 13.703 ( -9.016 0.000 0.000) 9.016 14.155 ( -13.763 0.000 0.000) 13.763 14.346 ( 11.954 0.000 0.000) 11.954 14.897 ( 0.586 0.000 0.000) 0.586 15.295 ( 12.803 0.000 0.000) 12.803 15.325 ( -3.024 0.000 0.000) 3.024 15.718 ( -9.570 0.000 0.000) 9.570 16.091 ( 19.844 0.000 0.000) 19.844 16.398 ( -0.848 0.000 0.000) 0.848 16.452 ( -5.760 0.000 0.000) 5.760 17.431 ( -13.164 0.000 0.000) 13.164 17.464 ( 12.324 0.000 0.000) 12.324 17.602 ( 11.285 0.000 0.000) 11.285 17.919 ( 2.136 0.000 0.000) 2.136 18.353 ( -6.680 0.000 0.000) 6.680 18.458 ( -4.126 0.000 0.000) 4.126 18.516 ( 1.951 0.000 0.000) 1.951 18.519 ( 1.254 0.000 0.000) 1.254 18.586 ( -13.327 0.000 0.000) 13.327 18.746 ( -1.955 0.000 0.000) 1.955 20.116 ( -1.053 0.000 0.000) 1.053 20.229 ( -1.660 0.000 0.000) 1.660 20.401 ( 3.204 0.000 0.000) 3.204 20.686 ( -1.357 0.000 0.000) 1.357 20.827 ( 7.277 0.000 0.000) 7.277 21.019 ( 11.158 0.000 0.000) 11.158 22.373 ( -4.421 0.000 0.000) 4.421 22.531 ( -1.692 0.000 0.000) 1.692 23.146 ( -0.357 0.000 0.000) 0.357 23.259 ( -0.884 0.000 0.000) 0.884 24.017 ( 4.463 0.000 0.000) 4.463 24.579 ( -3.434 0.000 0.000) 3.434 25.671 ( 3.479 0.000 0.000) 3.479 25.954 ( -0.148 0.000 0.000) 0.148 26.431 ( -1.130 0.000 0.000) 1.130 26.492 ( 0.553 0.000 0.000) 0.553 26.496 ( -1.193 0.000 0.000) 1.193 26.514 ( 2.396 0.000 0.000) 2.396 26.661 ( -1.474 0.000 0.000) 1.474 26.673 ( -0.675 0.000 0.000) 0.675 27.938 ( -0.517 0.000 0.000) 0.517 28.013 ( -3.918 0.000 0.000) 3.918 28.578 ( 13.072 0.000 0.000) 13.072 30.175 ( -11.849 0.000 0.000) 11.849 33.423 ( 1.246 0.000 0.000) 1.246 33.552 ( -0.692 0.000 0.000) 0.692 34.820 ( 9.737 0.000 0.000) 9.737 36.120 ( -8.976 0.000 0.000) 8.976 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 40.383 0.000 0.000) 40.383 2.457 ( 54.524 0.000 0.000) 54.524 3.126 ( 32.604 0.000 0.000) 32.604 3.638 ( -3.022 0.000 0.000) 3.022 3.717 ( 18.122 0.000 0.000) 18.122 4.278 ( 7.108 0.000 0.000) 7.108 4.335 ( 7.520 0.000 0.000) 7.520 4.448 ( -8.996 0.000 0.000) 8.996 4.690 ( -39.971 0.000 0.000) 39.971 4.913 ( -5.790 0.000 0.000) 5.790 4.936 ( -13.715 0.000 0.000) 13.715 5.734 ( 12.363 0.000 0.000) 12.363 6.537 ( 8.151 0.000 0.000) 8.151 6.607 ( -9.173 0.000 0.000) 9.173 6.779 ( -15.177 0.000 0.000) 15.177 6.899 ( -5.534 0.000 0.000) 5.534 6.930 ( -7.108 0.000 0.000) 7.108 7.077 ( -35.042 0.000 0.000) 35.042 7.630 ( 12.735 0.000 0.000) 12.735 7.895 ( 21.546 0.000 0.000) 21.546 8.153 ( 9.751 0.000 0.000) 9.751 8.311 ( 18.837 0.000 0.000) 18.837 8.381 ( -17.716 0.000 0.000) 17.716 8.592 ( -7.923 0.000 0.000) 7.923 8.743 ( -15.166 0.000 0.000) 15.166 8.891 ( 11.715 0.000 0.000) 11.715 8.960 ( -5.488 0.000 0.000) 5.488 9.265 ( -13.981 0.000 0.000) 13.981 9.469 ( -21.828 0.000 0.000) 21.828 9.591 ( 9.210 0.000 0.000) 9.210 9.703 ( 19.405 0.000 0.000) 19.405 9.822 ( -8.661 0.000 0.000) 8.661 10.012 ( -6.924 0.000 0.000) 6.924 10.170 ( 15.844 0.000 0.000) 15.844 10.457 ( -13.043 0.000 0.000) 13.043 10.477 ( 9.868 0.000 0.000) 9.868 10.906 ( -5.046 0.000 0.000) 5.046 11.343 ( 18.066 0.000 0.000) 18.066 11.429 ( -17.229 0.000 0.000) 17.229 11.526 ( 11.145 0.000 0.000) 11.145 11.832 ( 0.697 0.000 0.000) 0.697 11.865 ( -6.532 0.000 0.000) 6.532 12.119 ( 14.588 0.000 0.000) 14.588 12.634 ( 1.507 0.000 0.000) 1.507 12.683 ( 8.445 0.000 0.000) 8.445 12.717 ( -1.832 0.000 0.000) 1.832 12.844 ( -7.182 0.000 0.000) 7.182 13.118 ( -5.184 0.000 0.000) 5.184 13.523 ( -6.226 0.000 0.000) 6.226 13.793 ( -17.451 0.000 0.000) 17.451 14.636 ( 14.231 0.000 0.000) 14.231 14.932 ( 3.611 0.000 0.000) 3.611 15.193 ( -9.232 0.000 0.000) 9.232 15.327 ( -11.449 0.000 0.000) 11.449 15.852 ( 23.550 0.000 0.000) 23.550 16.359 ( -2.243 0.000 0.000) 2.243 16.373 ( -1.340 0.000 0.000) 1.340 16.640 ( 27.156 0.000 0.000) 27.156 17.036 ( -21.041 0.000 0.000) 21.041 17.650 ( -1.315 0.000 0.000) 1.315 17.872 ( 12.628 0.000 0.000) 12.628 17.995 ( 4.629 0.000 0.000) 4.629 18.208 ( -6.297 0.000 0.000) 6.297 18.297 ( -7.439 0.000 0.000) 7.439 18.328 ( -7.782 0.000 0.000) 7.782 18.553 ( 1.597 0.000 0.000) 1.597 18.560 ( 1.688 0.000 0.000) 1.688 18.628 ( -8.740 0.000 0.000) 8.740 20.106 ( 0.312 0.000 0.000) 0.312 20.182 ( -2.467 0.000 0.000) 2.467 20.482 ( 4.069 0.000 0.000) 4.069 20.641 ( -2.756 0.000 0.000) 2.756 21.041 ( 11.507 0.000 0.000) 11.507 21.253 ( 7.565 0.000 0.000) 7.565 22.278 ( -2.687 0.000 0.000) 2.687 22.452 ( -5.700 0.000 0.000) 5.700 23.152 ( 1.054 0.000 0.000) 1.054 23.230 ( -1.734 0.000 0.000) 1.734 24.149 ( 7.368 0.000 0.000) 7.368 24.473 ( -6.211 0.000 0.000) 6.211 25.771 ( 5.354 0.000 0.000) 5.354 25.940 ( -1.455 0.000 0.000) 1.455 26.419 ( 0.050 0.000 0.000) 0.050 26.464 ( -1.638 0.000 0.000) 1.638 26.510 ( 1.209 0.000 0.000) 1.209 26.566 ( 2.364 0.000 0.000) 2.364 26.613 ( -2.827 0.000 0.000) 2.827 26.651 ( -1.380 0.000 0.000) 1.380 27.925 ( -0.520 0.000 0.000) 0.520 27.945 ( -2.095 0.000 0.000) 2.095 28.932 ( 19.015 0.000 0.000) 19.015 29.828 ( -19.347 0.000 0.000) 19.347 33.458 ( 1.863 0.000 0.000) 1.863 33.531 ( -1.245 0.000 0.000) 1.245 35.107 ( 15.978 0.000 0.000) 15.978 35.850 ( -15.423 0.000 0.000) 15.423 ======================= Grid point 3 (4/80) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( -35.012 0.000 0.000) 35.012 2.722 ( 35.012 0.000 0.000) 35.012 3.595 ( -49.917 0.000 0.000) 49.917 3.595 ( 49.917 0.000 0.000) 49.917 4.128 ( -6.516 0.000 0.000) 6.516 4.128 ( 6.516 0.000 0.000) 6.516 4.167 ( -6.989 0.000 0.000) 6.989 4.167 ( 6.989 0.000 0.000) 6.989 4.629 ( -13.852 0.000 0.000) 13.852 4.629 ( 13.852 0.000 0.000) 13.852 5.445 ( -39.657 0.000 0.000) 39.657 5.445 ( 39.657 0.000 0.000) 39.657 6.526 ( -2.566 0.000 0.000) 2.566 6.526 ( 2.566 0.000 0.000) 2.566 6.702 ( -6.248 0.000 0.000) 6.248 6.702 ( 6.248 0.000 0.000) 6.248 6.766 ( -7.896 0.000 0.000) 7.896 6.766 ( 7.896 0.000 0.000) 7.896 7.975 ( -18.533 0.000 0.000) 18.533 7.975 ( 18.533 0.000 0.000) 18.533 8.287 ( -11.171 0.000 0.000) 11.171 8.287 ( 11.171 0.000 0.000) 11.171 8.446 ( -8.634 0.000 0.000) 8.634 8.446 ( 8.634 0.000 0.000) 8.634 8.853 ( -23.748 0.000 0.000) 23.748 8.853 ( 23.748 0.000 0.000) 23.748 8.978 ( -10.005 0.000 0.000) 10.005 8.978 ( 10.005 0.000 0.000) 10.005 9.415 ( -22.582 0.000 0.000) 22.582 9.415 ( 22.582 0.000 0.000) 22.582 9.799 ( -9.126 0.000 0.000) 9.126 9.799 ( 9.126 0.000 0.000) 9.126 10.133 ( -16.593 0.000 0.000) 16.593 10.133 ( 16.593 0.000 0.000) 16.593 10.484 ( -9.513 0.000 0.000) 9.513 10.484 ( 9.513 0.000 0.000) 9.513 11.036 ( -14.563 0.000 0.000) 14.563 11.036 ( 14.563 0.000 0.000) 14.563 11.615 ( -4.625 0.000 0.000) 4.625 11.615 ( 4.625 0.000 0.000) 4.625 11.806 ( -1.410 0.000 0.000) 1.410 11.806 ( 1.410 0.000 0.000) 1.410 12.517 ( -17.283 0.000 0.000) 17.283 12.517 ( 17.283 0.000 0.000) 17.283 12.674 ( -2.081 0.000 0.000) 2.081 12.674 ( 2.081 0.000 0.000) 2.081 12.944 ( -9.880 0.000 0.000) 9.880 12.944 ( 9.880 0.000 0.000) 9.880 13.509 ( -6.527 0.000 0.000) 6.527 13.509 ( 6.527 0.000 0.000) 6.527 14.941 ( -13.445 0.000 0.000) 13.445 14.941 ( 13.445 0.000 0.000) 13.445 15.078 ( -9.800 0.000 0.000) 9.800 15.078 ( 9.800 0.000 0.000) 9.800 16.348 ( -0.748 0.000 0.000) 0.748 16.348 ( 0.748 0.000 0.000) 0.748 16.435 ( -27.686 0.000 0.000) 27.686 16.435 ( 27.686 0.000 0.000) 27.686 17.301 ( -25.992 0.000 0.000) 25.992 17.301 ( 25.992 0.000 0.000) 25.992 18.087 ( -4.690 0.000 0.000) 4.690 18.087 ( 4.690 0.000 0.000) 4.690 18.127 ( -10.673 0.000 0.000) 10.673 18.127 ( 10.673 0.000 0.000) 10.673 18.398 ( -11.208 0.000 0.000) 11.208 18.398 ( 11.208 0.000 0.000) 11.208 18.576 ( -0.282 0.000 0.000) 0.282 18.576 ( 0.282 0.000 0.000) 0.282 20.132 ( -1.967 0.000 0.000) 1.967 20.132 ( 1.967 0.000 0.000) 1.967 20.569 ( -3.780 0.000 0.000) 3.780 20.569 ( 3.780 0.000 0.000) 3.780 21.260 ( -6.695 0.000 0.000) 6.695 21.260 ( 6.695 0.000 0.000) 6.695 22.314 ( -5.619 0.000 0.000) 5.619 22.314 ( 5.619 0.000 0.000) 5.619 23.188 ( -2.042 0.000 0.000) 2.042 23.188 ( 2.042 0.000 0.000) 2.042 24.318 ( -7.805 0.000 0.000) 7.805 24.318 ( 7.805 0.000 0.000) 7.805 25.880 ( -4.187 0.000 0.000) 4.187 25.880 ( 4.187 0.000 0.000) 4.187 26.432 ( -1.148 0.000 0.000) 1.148 26.432 ( 1.148 0.000 0.000) 1.148 26.551 ( -2.591 0.000 0.000) 2.591 26.551 ( 2.591 0.000 0.000) 2.591 26.614 ( -1.989 0.000 0.000) 1.989 26.614 ( 1.989 0.000 0.000) 1.989 27.921 ( -0.283 0.000 0.000) 0.283 27.921 ( 0.283 0.000 0.000) 0.283 29.377 ( -21.409 0.000 0.000) 21.409 29.377 ( 21.409 0.000 0.000) 21.409 33.498 ( -1.740 0.000 0.000) 1.740 33.498 ( 1.740 0.000 0.000) 1.740 35.481 ( -17.877 0.000 0.000) 17.877 35.481 ( 17.877 0.000 0.000) 17.877 ======================= Grid point 7 (5/80) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 0.000 46.358 0.000) 46.358 1.078 ( 0.000 56.636 0.000) 56.636 2.085 ( 0.000 105.738 0.000) 105.738 3.350 ( 0.000 7.256 0.000) 7.256 4.013 ( 0.000 -4.874 0.000) 4.874 4.070 ( 0.000 5.780 0.000) 5.780 4.095 ( 0.000 -11.183 0.000) 11.183 4.633 ( 0.000 3.463 0.000) 3.463 5.298 ( 0.000 7.734 0.000) 7.734 5.461 ( 0.000 2.332 0.000) 2.332 6.075 ( 0.000 12.277 0.000) 12.277 6.207 ( 0.000 13.669 0.000) 13.669 6.616 ( 0.000 -8.520 0.000) 8.520 6.717 ( 0.000 41.987 0.000) 41.987 7.134 ( 0.000 -10.938 0.000) 10.938 7.155 ( 0.000 14.226 0.000) 14.226 7.355 ( 0.000 40.384 0.000) 40.384 7.386 ( 0.000 5.087 0.000) 5.087 7.451 ( 0.000 -5.428 0.000) 5.428 7.463 ( 0.000 -4.859 0.000) 4.859 7.899 ( 0.000 3.382 0.000) 3.382 8.440 ( 0.000 -21.542 0.000) 21.542 8.474 ( 0.000 -12.481 0.000) 12.481 8.873 ( 0.000 12.782 0.000) 12.782 8.967 ( 0.000 5.388 0.000) 5.388 9.053 ( 0.000 -5.612 0.000) 5.612 9.158 ( 0.000 21.361 0.000) 21.361 9.349 ( 0.000 2.049 0.000) 2.049 9.508 ( 0.000 -11.477 0.000) 11.477 9.670 ( 0.000 12.601 0.000) 12.601 9.689 ( 0.000 -0.072 0.000) 0.072 9.834 ( 0.000 -0.922 0.000) 0.922 9.863 ( 0.000 40.612 0.000) 40.612 10.224 ( 0.000 -8.451 0.000) 8.451 10.412 ( 0.000 18.484 0.000) 18.484 10.705 ( 0.000 -5.948 0.000) 5.948 10.783 ( 0.000 2.983 0.000) 2.983 10.854 ( 0.000 -14.581 0.000) 14.581 11.405 ( 0.000 9.785 0.000) 9.785 11.436 ( 0.000 2.730 0.000) 2.730 12.047 ( 0.000 -3.149 0.000) 3.149 12.117 ( 0.000 0.803 0.000) 0.803 12.121 ( 0.000 25.280 0.000) 25.280 12.383 ( 0.000 -4.523 0.000) 4.523 12.629 ( 0.000 -1.323 0.000) 1.323 12.855 ( 0.000 8.017 0.000) 8.017 13.055 ( 0.000 6.714 0.000) 6.714 13.093 ( 0.000 13.197 0.000) 13.197 13.279 ( 0.000 14.695 0.000) 14.695 13.822 ( 0.000 -0.820 0.000) 0.820 14.136 ( 0.000 -4.822 0.000) 4.822 14.564 ( 0.000 -43.470 0.000) 43.470 14.594 ( 0.000 -5.559 0.000) 5.559 14.876 ( 0.000 -1.016 0.000) 1.016 15.683 ( 0.000 13.427 0.000) 13.427 15.728 ( 0.000 -14.129 0.000) 14.129 16.316 ( 0.000 -9.386 0.000) 9.386 17.244 ( 0.000 -5.700 0.000) 5.700 17.428 ( 0.000 -3.065 0.000) 3.065 17.439 ( 0.000 -20.292 0.000) 20.292 17.577 ( 0.000 -11.785 0.000) 11.785 17.853 ( 0.000 -29.985 0.000) 29.985 18.004 ( 0.000 9.810 0.000) 9.810 18.437 ( 0.000 -7.705 0.000) 7.705 18.461 ( 0.000 -5.132 0.000) 5.132 18.748 ( 0.000 -0.106 0.000) 0.106 18.789 ( 0.000 5.095 0.000) 5.095 18.826 ( 0.000 7.620 0.000) 7.620 19.996 ( 0.000 -12.801 0.000) 12.801 20.250 ( 0.000 -3.981 0.000) 3.981 20.431 ( 0.000 -22.939 0.000) 22.939 20.668 ( 0.000 -20.801 0.000) 20.801 20.992 ( 0.000 18.348 0.000) 18.348 21.373 ( 0.000 9.664 0.000) 9.664 21.859 ( 0.000 -3.772 0.000) 3.772 22.544 ( 0.000 -0.383 0.000) 0.383 23.156 ( 0.000 0.434 0.000) 0.434 23.364 ( 0.000 8.383 0.000) 8.383 23.915 ( 0.000 -5.196 0.000) 5.196 24.075 ( 0.000 -1.913 0.000) 1.913 25.683 ( 0.000 5.117 0.000) 5.117 25.932 ( 0.000 -1.242 0.000) 1.242 26.261 ( 0.000 -7.886 0.000) 7.886 26.435 ( 0.000 -1.358 0.000) 1.358 26.532 ( 0.000 5.472 0.000) 5.472 26.554 ( 0.000 5.285 0.000) 5.285 26.868 ( 0.000 13.800 0.000) 13.800 28.050 ( 0.000 -2.564 0.000) 2.564 28.057 ( 0.000 11.357 0.000) 11.357 28.060 ( 0.000 10.580 0.000) 10.580 30.197 ( 0.000 -4.039 0.000) 4.039 30.240 ( 0.000 -7.037 0.000) 7.037 33.432 ( 0.000 2.415 0.000) 2.415 33.583 ( 0.000 2.403 0.000) 2.403 34.434 ( 0.000 -4.128 0.000) 4.128 34.665 ( 0.000 -4.658 0.000) 4.658 ======================= Grid point 8 (6/80) ======================= q-point: ( 0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 30.448 28.761 0.000) 41.884 1.531 ( 38.907 32.392 0.000) 50.626 2.731 ( 47.933 79.520 0.000) 92.850 3.466 ( 10.477 7.413 0.000) 12.834 3.917 ( -13.943 -8.708 0.000) 16.439 4.100 ( 7.085 -3.733 0.000) 8.008 4.173 ( 8.665 7.557 0.000) 11.497 4.599 ( -3.624 2.896 0.000) 4.639 5.253 ( -16.162 2.831 0.000) 16.408 5.414 ( 9.198 3.695 0.000) 9.913 5.593 ( -19.341 31.343 0.000) 36.830 5.742 ( -32.633 15.969 0.000) 36.331 6.730 ( 6.054 -11.557 0.000) 13.046 6.891 ( -15.638 -5.542 0.000) 16.591 6.896 ( 6.834 45.205 0.000) 45.719 7.192 ( -17.859 -1.850 0.000) 17.954 7.369 ( 8.196 1.012 0.000) 8.259 7.407 ( 3.069 39.163 0.000) 39.283 7.524 ( 4.577 -1.240 0.000) 4.742 7.629 ( 21.314 18.172 0.000) 28.009 7.963 ( 4.998 -0.762 0.000) 5.056 8.283 ( -16.424 -5.479 0.000) 17.314 8.585 ( 3.636 -7.371 0.000) 8.219 8.732 ( -9.917 2.999 0.000) 10.360 8.784 ( -3.196 -3.496 0.000) 4.737 9.013 ( -4.906 -9.904 0.000) 11.052 9.097 ( -5.254 25.587 0.000) 26.121 9.415 ( -10.603 2.476 0.000) 10.889 9.516 ( -4.204 -1.914 0.000) 4.619 9.636 ( 2.035 -12.351 0.000) 12.518 9.761 ( -5.680 9.118 0.000) 10.743 9.850 ( 7.915 16.064 0.000) 17.908 9.888 ( 1.912 5.931 0.000) 6.231 10.193 ( 6.615 1.368 0.000) 6.755 10.411 ( -6.539 -18.943 0.000) 20.040 10.412 ( 1.930 20.573 0.000) 20.663 10.973 ( 10.251 3.741 0.000) 10.912 11.163 ( 15.628 -5.089 0.000) 16.436 11.281 ( -10.254 7.743 0.000) 12.849 11.628 ( 12.787 -0.968 0.000) 12.824 11.852 ( 0.149 5.311 0.000) 5.313 11.915 ( -14.197 13.139 0.000) 19.344 12.350 ( -7.599 4.921 0.000) 9.053 12.419 ( 11.946 -3.334 0.000) 12.403 12.855 ( 0.115 9.691 0.000) 9.692 12.928 ( -3.401 24.516 0.000) 24.751 13.004 ( -4.649 4.387 0.000) 6.393 13.089 ( 6.325 -3.083 0.000) 7.036 13.698 ( -8.010 0.135 0.000) 8.012 13.889 ( 24.649 -24.781 0.000) 34.953 14.296 ( 11.390 -5.215 0.000) 12.527 14.535 ( 3.246 -26.347 0.000) 26.546 14.684 ( 10.082 -44.212 0.000) 45.347 14.872 ( -0.513 -2.244 0.000) 2.301 15.754 ( 5.791 13.752 0.000) 14.922 15.876 ( 11.136 -19.012 0.000) 22.033 16.394 ( 8.739 -3.631 0.000) 9.463 16.850 ( -27.718 -0.058 0.000) 27.718 17.282 ( -13.759 -19.349 0.000) 23.742 17.523 ( 7.868 -6.297 0.000) 10.078 17.662 ( 9.902 4.256 0.000) 10.778 17.860 ( 0.550 -27.998 0.000) 28.003 17.991 ( -0.776 4.062 0.000) 4.135 18.392 ( -4.101 -7.533 0.000) 8.577 18.519 ( 4.813 -0.138 0.000) 4.815 18.543 ( -16.924 -0.506 0.000) 16.932 18.763 ( -4.583 -0.047 0.000) 4.583 18.797 ( -0.840 11.468 0.000) 11.499 19.950 ( -1.711 -13.852 0.000) 13.957 20.215 ( -11.283 -16.008 0.000) 19.584 20.364 ( 7.346 -0.904 0.000) 7.401 20.698 ( -0.464 -6.834 0.000) 6.850 21.024 ( 3.475 15.744 0.000) 16.123 21.144 ( 2.875 16.385 0.000) 16.635 22.172 ( 6.485 -14.561 0.000) 15.939 22.522 ( -2.395 -1.130 0.000) 2.649 23.154 ( 0.053 0.900 0.000) 0.902 23.325 ( -2.295 7.125 0.000) 7.486 23.962 ( 4.147 -5.473 0.000) 6.867 24.243 ( 7.758 -14.861 0.000) 16.764 25.709 ( 2.507 4.415 0.000) 5.077 25.931 ( -0.168 -1.285 0.000) 1.296 26.252 ( -0.719 -8.204 0.000) 8.235 26.374 ( -3.808 -2.606 0.000) 4.614 26.566 ( 2.164 5.548 0.000) 5.955 26.623 ( 5.536 8.496 0.000) 10.140 26.852 ( -1.600 14.149 0.000) 14.239 27.786 ( -27.077 45.411 0.000) 52.870 28.023 ( -5.611 0.930 0.000) 5.687 28.041 ( -1.390 10.514 0.000) 10.605 28.864 ( -23.099 29.504 0.000) 37.470 30.111 ( -11.440 -6.560 0.000) 13.187 33.447 ( 1.297 2.471 0.000) 2.791 33.576 ( -0.637 2.476 0.000) 2.557 34.765 ( 8.861 -5.609 0.000) 10.487 35.447 ( 27.071 -45.487 0.000) 52.933 ======================= Grid point 9 (7/80) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 34.139 12.345 0.000) 36.302 2.517 ( 46.874 8.718 0.000) 47.678 3.412 ( -15.688 9.658 0.000) 18.422 3.776 ( 16.992 6.804 0.000) 18.304 3.803 ( 27.052 24.084 0.000) 36.219 4.360 ( 10.916 6.224 0.000) 12.566 4.362 ( 2.744 3.078 0.000) 4.123 4.429 ( -14.073 4.687 0.000) 14.833 4.975 ( -26.174 23.776 0.000) 35.360 4.993 ( 3.689 16.205 0.000) 16.620 5.256 ( -13.915 27.436 0.000) 30.763 5.716 ( 12.270 -0.581 0.000) 12.283 6.589 ( -10.441 -4.547 0.000) 11.388 6.648 ( -11.224 -11.760 0.000) 16.256 6.863 ( -10.975 5.762 0.000) 12.395 7.089 ( 8.945 40.101 0.000) 41.086 7.274 ( -31.270 19.485 0.000) 36.844 7.383 ( -4.920 46.053 0.000) 46.315 7.607 ( 12.262 -0.665 0.000) 12.280 8.104 ( 16.612 0.882 0.000) 16.636 8.125 ( 9.636 -3.353 0.000) 10.202 8.158 ( 17.481 4.684 0.000) 18.098 8.329 ( -16.606 -1.580 0.000) 16.681 8.680 ( -2.998 -1.602 0.000) 3.399 8.816 ( 4.598 -9.110 0.000) 10.205 8.914 ( -11.203 28.662 0.000) 30.773 8.954 ( -4.663 -12.057 0.000) 12.928 9.223 ( -6.581 -3.238 0.000) 7.334 9.389 ( -2.451 -7.237 0.000) 7.641 9.396 ( -19.894 -2.254 0.000) 20.021 9.636 ( 1.689 -2.182 0.000) 2.759 9.902 ( -0.776 0.342 0.000) 0.848 10.139 ( 9.756 7.644 0.000) 12.393 10.199 ( -4.166 -8.909 0.000) 9.836 10.384 ( -4.551 16.008 0.000) 16.642 10.605 ( 11.159 2.106 0.000) 11.356 10.929 ( 1.810 2.850 0.000) 3.376 11.406 ( -14.684 -6.328 0.000) 15.989 11.453 ( 15.409 11.740 0.000) 19.371 11.490 ( 5.987 1.416 0.000) 6.152 11.908 ( 1.812 8.153 0.000) 8.352 12.028 ( 12.866 7.053 0.000) 14.672 12.180 ( -3.977 13.877 0.000) 14.436 12.601 ( 3.599 -5.635 0.000) 6.686 12.835 ( -4.391 4.227 0.000) 6.095 12.881 ( -0.873 20.704 0.000) 20.722 12.903 ( -0.051 10.088 0.000) 10.088 13.086 ( -4.694 -0.435 0.000) 4.714 13.549 ( -4.764 3.247 0.000) 5.765 13.817 ( -15.008 1.862 0.000) 15.123 14.556 ( 11.678 -8.622 0.000) 14.516 14.758 ( 6.805 -34.989 0.000) 35.644 14.871 ( 1.144 -5.969 0.000) 6.078 14.906 ( 6.756 -36.335 0.000) 36.958 15.952 ( 13.874 7.353 0.000) 15.702 16.055 ( 4.492 -23.461 0.000) 23.888 16.351 ( -16.326 -4.303 0.000) 16.883 16.740 ( 12.784 -1.766 0.000) 12.905 16.921 ( -8.940 -10.543 0.000) 13.823 17.714 ( 8.364 -11.033 0.000) 13.845 17.867 ( -0.186 -23.245 0.000) 23.246 17.889 ( 0.789 15.592 0.000) 15.612 17.989 ( 1.418 -5.129 0.000) 5.322 18.136 ( -11.042 -12.652 0.000) 16.793 18.265 ( -7.322 -7.209 0.000) 10.275 18.588 ( -10.857 -1.830 0.000) 11.010 18.639 ( 5.576 6.638 0.000) 8.669 18.783 ( -1.032 10.034 0.000) 10.087 19.955 ( 1.663 -12.642 0.000) 12.751 20.061 ( -4.080 -13.845 0.000) 14.434 20.493 ( 4.349 1.732 0.000) 4.681 20.651 ( -3.177 -0.143 0.000) 3.181 21.162 ( 8.848 10.296 0.000) 13.576 21.319 ( 7.596 6.589 0.000) 10.056 22.196 ( -0.360 -7.501 0.000) 7.510 22.425 ( -6.631 -2.763 0.000) 7.184 23.171 ( 1.604 1.989 0.000) 2.555 23.275 ( -2.463 4.709 0.000) 5.314 24.081 ( 6.426 -6.603 0.000) 9.214 24.304 ( -1.416 -13.060 0.000) 13.136 25.788 ( 4.402 2.524 0.000) 5.074 25.921 ( -0.980 -0.961 0.000) 1.372 26.236 ( -0.539 -8.536 0.000) 8.553 26.295 ( -3.296 -5.235 0.000) 6.186 26.629 ( 3.547 7.745 0.000) 8.519 26.764 ( 7.462 15.067 0.000) 16.813 26.797 ( -3.372 13.556 0.000) 13.969 27.247 ( -17.963 41.563 0.000) 45.278 27.957 ( -1.029 1.599 0.000) 1.901 28.002 ( -2.010 8.170 0.000) 8.414 28.942 ( 15.396 1.178 0.000) 15.441 29.775 ( -18.661 -5.321 0.000) 19.405 33.483 ( 1.912 2.610 0.000) 3.236 33.556 ( -1.197 2.609 0.000) 2.870 35.023 ( 14.175 -8.411 0.000) 16.482 35.588 ( -6.329 -24.056 0.000) 24.875 ======================= Grid point 10 (8/80) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( -28.981 1.142 0.000) 29.004 2.718 ( 28.981 1.142 0.000) 29.004 3.661 ( -42.187 6.482 0.000) 42.682 3.661 ( 42.187 6.482 0.000) 42.682 4.195 ( -15.945 5.703 0.000) 16.934 4.195 ( 15.945 5.703 0.000) 16.934 4.237 ( -13.059 5.776 0.000) 14.279 4.237 ( 13.059 5.776 0.000) 14.279 4.939 ( -12.439 29.659 0.000) 32.162 4.939 ( 12.439 29.659 0.000) 32.162 5.638 ( -29.618 19.317 0.000) 35.360 5.638 ( 29.618 19.317 0.000) 35.360 6.478 ( -1.237 -6.492 0.000) 6.608 6.478 ( 1.237 -6.492 0.000) 6.608 6.711 ( -4.314 7.124 0.000) 8.328 6.711 ( 4.314 7.124 0.000) 8.328 7.264 ( -6.939 45.802 0.000) 46.324 7.264 ( 6.939 45.802 0.000) 46.324 7.937 ( -17.425 -2.668 0.000) 17.628 7.937 ( 17.425 -2.668 0.000) 17.628 8.329 ( -2.758 -8.103 0.000) 8.559 8.329 ( 2.758 -8.103 0.000) 8.559 8.579 ( -17.190 22.941 0.000) 28.667 8.579 ( 17.190 22.941 0.000) 28.667 8.733 ( -9.869 -12.494 0.000) 15.922 8.733 ( 9.869 -12.494 0.000) 15.922 8.987 ( -12.824 0.587 0.000) 12.838 8.987 ( 12.824 0.587 0.000) 12.838 9.296 ( -8.306 -8.292 0.000) 11.737 9.296 ( 8.306 -8.292 0.000) 11.737 9.788 ( -10.234 -1.763 0.000) 10.384 9.788 ( 10.234 -1.763 0.000) 10.384 10.104 ( -1.993 2.490 0.000) 3.189 10.104 ( 1.993 2.490 0.000) 3.189 10.589 ( -12.049 5.019 0.000) 13.052 10.589 ( 12.049 5.019 0.000) 13.052 11.093 ( -9.820 4.678 0.000) 10.877 11.093 ( 9.820 4.678 0.000) 10.877 11.631 ( -1.058 2.308 0.000) 2.540 11.631 ( 1.058 2.308 0.000) 2.540 11.973 ( -6.010 17.306 0.000) 18.320 11.973 ( 6.010 17.306 0.000) 18.320 12.440 ( -15.176 -4.385 0.000) 15.797 12.440 ( 15.176 -4.385 0.000) 15.797 12.847 ( -3.269 3.886 0.000) 5.078 12.847 ( 3.269 3.886 0.000) 5.078 12.966 ( -4.656 12.052 0.000) 12.921 12.966 ( 4.656 12.052 0.000) 12.921 13.553 ( -6.631 4.249 0.000) 7.875 13.553 ( 6.631 4.249 0.000) 7.875 14.757 ( -5.747 -18.190 0.000) 19.076 14.757 ( 5.747 -18.190 0.000) 19.076 14.927 ( -2.984 -15.678 0.000) 15.959 14.927 ( 2.984 -15.678 0.000) 15.959 16.136 ( -4.822 -17.115 0.000) 17.781 16.136 ( 4.822 -17.115 0.000) 17.781 16.363 ( -22.422 -6.937 0.000) 23.470 16.363 ( 22.422 -6.937 0.000) 23.470 17.417 ( -28.773 5.004 0.000) 29.205 17.417 ( 28.773 5.004 0.000) 29.205 17.840 ( -2.807 -17.695 0.000) 17.916 17.840 ( 2.807 -17.695 0.000) 17.916 18.097 ( -7.320 -6.182 0.000) 9.581 18.097 ( 7.320 -6.182 0.000) 9.581 18.316 ( -13.620 -4.868 0.000) 14.463 18.316 ( 13.620 -4.868 0.000) 14.463 18.738 ( -3.328 9.369 0.000) 9.943 18.738 ( 3.328 9.369 0.000) 9.943 19.999 ( -2.203 -11.998 0.000) 12.199 19.999 ( 2.203 -11.998 0.000) 12.199 20.575 ( -3.625 0.891 0.000) 3.733 20.575 ( 3.625 0.891 0.000) 3.733 21.342 ( -5.543 6.983 0.000) 8.916 21.342 ( 5.543 6.983 0.000) 8.916 22.264 ( -6.753 -4.649 0.000) 8.198 22.264 ( 6.753 -4.649 0.000) 8.198 23.219 ( -2.598 3.193 0.000) 4.116 23.219 ( 2.598 3.193 0.000) 4.116 24.219 ( -5.723 -9.045 0.000) 10.704 24.219 ( 5.723 -9.045 0.000) 10.704 25.877 ( -3.244 0.512 0.000) 3.284 25.877 ( 3.244 0.512 0.000) 3.284 26.242 ( -1.338 -7.643 0.000) 7.759 26.242 ( 1.338 -7.643 0.000) 7.759 26.714 ( -4.096 10.873 0.000) 11.619 26.714 ( 4.096 10.873 0.000) 11.619 26.954 ( -10.413 25.130 0.000) 27.202 26.954 ( 10.413 25.130 0.000) 27.202 27.963 ( -1.324 4.928 0.000) 5.102 27.963 ( 1.324 4.928 0.000) 5.102 29.344 ( -20.250 -3.356 0.000) 20.527 29.344 ( 20.250 -3.356 0.000) 20.527 33.524 ( -1.739 2.674 0.000) 3.190 33.524 ( 1.739 2.674 0.000) 3.190 35.342 ( -14.345 -13.615 0.000) 19.778 35.342 ( 14.345 -13.615 0.000) 19.778 ======================= Grid point 14 (9/80) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 0.000 45.972 0.000) 45.972 2.171 ( 0.000 56.933 0.000) 56.933 3.582 ( 0.000 16.970 0.000) 16.970 3.819 ( 0.000 16.605 0.000) 16.605 3.877 ( 0.000 -10.410 0.000) 10.410 4.055 ( 0.000 64.973 0.000) 64.973 4.220 ( 0.000 8.702 0.000) 8.702 4.716 ( 0.000 5.024 0.000) 5.024 5.447 ( 0.000 5.625 0.000) 5.625 5.565 ( 0.000 8.441 0.000) 8.441 6.300 ( 0.000 -8.330 0.000) 8.330 6.375 ( 0.000 0.219 0.000) 0.219 6.506 ( 0.000 17.385 0.000) 17.385 6.874 ( 0.000 -14.554 0.000) 14.554 7.167 ( 0.000 -25.057 0.000) 25.057 7.302 ( 0.000 -8.944 0.000) 8.944 7.452 ( 0.000 15.224 0.000) 15.224 7.548 ( 0.000 10.773 0.000) 10.773 7.620 ( 0.000 44.446 0.000) 44.446 7.898 ( 0.000 -9.164 0.000) 9.164 7.979 ( 0.000 14.771 0.000) 14.771 8.283 ( 0.000 -1.741 0.000) 1.741 8.663 ( 0.000 33.214 0.000) 33.214 9.004 ( 0.000 -8.983 0.000) 8.983 9.057 ( 0.000 23.878 0.000) 23.878 9.059 ( 0.000 3.946 0.000) 3.946 9.466 ( 0.000 12.716 0.000) 12.716 9.557 ( 0.000 26.412 0.000) 26.412 9.638 ( 0.000 -3.326 0.000) 3.326 9.651 ( 0.000 17.485 0.000) 17.485 9.675 ( 0.000 -2.030 0.000) 2.030 9.853 ( 0.000 3.412 0.000) 3.412 10.431 ( 0.000 32.115 0.000) 32.115 10.538 ( 0.000 -17.316 0.000) 17.316 10.582 ( 0.000 28.989 0.000) 28.989 10.777 ( 0.000 18.596 0.000) 18.596 10.850 ( 0.000 18.735 0.000) 18.735 10.995 ( 0.000 24.475 0.000) 24.475 11.435 ( 0.000 -2.537 0.000) 2.537 11.634 ( 0.000 12.971 0.000) 12.971 11.961 ( 0.000 -5.615 0.000) 5.615 12.149 ( 0.000 3.541 0.000) 3.541 12.332 ( 0.000 -1.260 0.000) 1.260 12.436 ( 0.000 7.680 0.000) 7.680 12.535 ( 0.000 -7.312 0.000) 7.312 12.993 ( 0.000 3.721 0.000) 3.721 13.236 ( 0.000 11.505 0.000) 11.505 13.417 ( 0.000 -33.597 0.000) 33.597 13.554 ( 0.000 32.433 0.000) 32.433 13.835 ( 0.000 2.537 0.000) 2.537 13.837 ( 0.000 -0.780 0.000) 0.780 14.001 ( 0.000 -9.002 0.000) 9.002 14.420 ( 0.000 -12.358 0.000) 12.358 14.869 ( 0.000 0.779 0.000) 0.779 15.347 ( 0.000 -24.652 0.000) 24.652 15.821 ( 0.000 1.208 0.000) 1.208 16.058 ( 0.000 -16.987 0.000) 16.987 16.713 ( 0.000 -47.164 0.000) 47.164 17.091 ( 0.000 -10.016 0.000) 10.016 17.231 ( 0.000 -21.184 0.000) 21.184 17.344 ( 0.000 -7.832 0.000) 7.832 17.359 ( 0.000 -29.798 0.000) 29.798 18.158 ( 0.000 -22.591 0.000) 22.591 18.246 ( 0.000 14.301 0.000) 14.301 18.270 ( 0.000 -15.624 0.000) 15.624 18.763 ( 0.000 1.995 0.000) 1.995 18.799 ( 0.000 1.191 0.000) 1.191 19.025 ( 0.000 12.600 0.000) 12.600 19.730 ( 0.000 -12.647 0.000) 12.647 19.948 ( 0.000 -25.201 0.000) 25.201 20.170 ( 0.000 -28.285 0.000) 28.285 20.242 ( 0.000 0.327 0.000) 0.327 21.351 ( 0.000 18.525 0.000) 18.525 21.535 ( 0.000 6.892 0.000) 6.892 21.796 ( 0.000 -2.615 0.000) 2.615 22.515 ( 0.000 -3.103 0.000) 3.103 23.175 ( 0.000 1.662 0.000) 1.662 23.532 ( 0.000 8.200 0.000) 8.200 23.783 ( 0.000 -8.161 0.000) 8.161 24.023 ( 0.000 -3.340 0.000) 3.340 25.809 ( 0.000 7.333 0.000) 7.333 25.944 ( 0.000 2.825 0.000) 2.825 26.149 ( 0.000 -3.669 0.000) 3.669 26.408 ( 0.000 -1.636 0.000) 1.636 26.641 ( 0.000 5.458 0.000) 5.458 26.668 ( 0.000 6.046 0.000) 6.046 27.120 ( 0.000 11.953 0.000) 11.953 27.977 ( 0.000 -4.995 0.000) 4.995 28.350 ( 0.000 18.244 0.000) 18.244 28.356 ( 0.000 19.569 0.000) 19.569 30.049 ( 0.000 -12.448 0.000) 12.448 30.079 ( 0.000 -8.339 0.000) 8.339 33.502 ( 0.000 4.926 0.000) 4.926 33.654 ( 0.000 5.024 0.000) 5.024 34.321 ( 0.000 -7.454 0.000) 7.454 34.538 ( 0.000 -8.356 0.000) 8.356 ======================= Grid point 15 (10/80) ======================= q-point: ( 0.17 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 15.403 38.677 0.000) 41.631 2.321 ( 15.482 46.550 0.000) 49.057 3.698 ( 10.340 16.636 0.000) 19.587 3.751 ( -10.273 -7.478 0.000) 12.707 3.882 ( 5.427 5.358 0.000) 7.626 4.320 ( 7.245 5.876 0.000) 9.328 4.403 ( 25.480 60.981 0.000) 66.090 4.687 ( -2.264 6.690 0.000) 7.062 5.420 ( -7.428 16.403 0.000) 18.007 5.502 ( 4.777 3.944 0.000) 6.195 6.006 ( -27.598 8.179 0.000) 28.784 6.257 ( -12.174 37.598 0.000) 39.519 6.431 ( 2.360 -17.639 0.000) 17.796 6.705 ( -12.134 -11.238 0.000) 16.539 7.096 ( -13.889 -7.759 0.000) 15.909 7.277 ( 9.335 -23.076 0.000) 24.892 7.380 ( 3.613 0.934 0.000) 3.731 7.776 ( 8.919 35.217 0.000) 36.329 7.941 ( 4.197 -0.253 0.000) 4.205 7.999 ( 25.481 15.297 0.000) 29.720 8.117 ( 10.054 18.296 0.000) 20.877 8.410 ( 5.110 -7.238 0.000) 8.860 8.523 ( -9.308 14.198 0.000) 16.977 8.820 ( -7.182 31.903 0.000) 32.701 8.889 ( -13.399 14.225 0.000) 19.542 9.218 ( -17.131 33.269 0.000) 37.420 9.324 ( -6.339 -11.455 0.000) 13.092 9.371 ( -8.127 1.540 0.000) 8.272 9.415 ( 6.038 -2.766 0.000) 6.642 9.822 ( -2.866 29.098 0.000) 29.238 9.857 ( 3.827 3.660 0.000) 5.296 9.869 ( 2.629 1.246 0.000) 2.910 10.169 ( -14.521 -6.168 0.000) 15.776 10.367 ( -13.712 25.329 0.000) 28.802 10.430 ( 4.318 24.662 0.000) 25.037 10.777 ( 5.183 15.930 0.000) 16.752 11.101 ( 13.320 0.303 0.000) 13.324 11.119 ( -10.110 9.668 0.000) 13.988 11.527 ( 6.637 20.829 0.000) 21.861 11.591 ( 8.469 -1.395 0.000) 8.583 12.017 ( -14.918 1.300 0.000) 14.975 12.022 ( 5.885 12.465 0.000) 13.784 12.313 ( 8.858 -7.777 0.000) 11.788 12.456 ( 6.304 -0.537 0.000) 6.327 13.004 ( -0.045 1.490 0.000) 1.491 13.078 ( 21.091 -0.269 0.000) 21.092 13.157 ( -5.455 13.226 0.000) 14.307 13.405 ( -6.483 12.481 0.000) 14.064 13.614 ( 15.135 -17.744 0.000) 23.322 13.740 ( -4.896 4.121 0.000) 6.399 13.889 ( 4.526 -10.917 0.000) 11.818 14.141 ( 8.506 -10.987 0.000) 13.894 14.264 ( -11.906 -9.831 0.000) 15.440 14.834 ( -3.259 -1.086 0.000) 3.435 15.435 ( 6.650 -25.809 0.000) 26.652 15.909 ( 6.431 2.302 0.000) 6.830 16.211 ( 14.245 -15.097 0.000) 20.757 16.653 ( -5.614 -40.744 0.000) 41.129 16.695 ( -23.719 -12.978 0.000) 27.037 17.338 ( 3.025 -14.743 0.000) 15.050 17.354 ( 0.211 -30.078 0.000) 30.079 17.536 ( 12.994 -12.074 0.000) 17.737 18.011 ( -9.499 -4.063 0.000) 10.332 18.123 ( -3.312 -21.738 0.000) 21.989 18.466 ( 1.544 -3.721 0.000) 4.028 18.631 ( -7.064 6.981 0.000) 9.931 18.723 ( -6.111 -0.932 0.000) 6.182 19.014 ( -2.602 11.948 0.000) 12.228 19.687 ( -0.581 -11.448 0.000) 11.462 19.793 ( -5.724 -23.202 0.000) 23.898 20.382 ( 11.425 -21.002 0.000) 23.908 20.383 ( 9.553 0.974 0.000) 9.602 21.341 ( -0.278 16.829 0.000) 16.831 21.439 ( -2.339 11.770 0.000) 12.000 21.954 ( 7.317 -7.985 0.000) 10.831 22.478 ( -3.640 -3.810 0.000) 5.269 23.184 ( 1.060 2.361 0.000) 2.588 23.485 ( -3.660 8.352 0.000) 9.119 23.824 ( 3.584 -8.428 0.000) 9.159 24.058 ( 2.175 -6.689 0.000) 7.033 25.821 ( 1.271 6.665 0.000) 6.785 25.942 ( -0.204 2.708 0.000) 2.716 26.145 ( -0.439 -3.334 0.000) 3.363 26.336 ( -4.950 -1.637 0.000) 5.214 26.692 ( 3.870 6.984 0.000) 7.985 26.774 ( 8.886 6.662 0.000) 11.106 27.123 ( -0.197 13.321 0.000) 13.323 27.978 ( -0.638 -3.474 0.000) 3.532 28.318 ( -2.835 17.506 0.000) 17.734 28.336 ( -3.895 20.426 0.000) 20.794 29.358 ( -42.038 15.981 0.000) 44.973 29.934 ( -10.282 -11.585 0.000) 15.490 33.520 ( 1.515 5.164 0.000) 5.382 33.649 ( -0.449 5.200 0.000) 5.219 34.614 ( 6.708 -9.781 0.000) 11.860 34.763 ( 24.698 -26.605 0.000) 36.301 ======================= Grid point 16 (11/80) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 21.289 24.317 0.000) 32.319 2.815 ( 24.462 21.439 0.000) 32.527 3.488 ( -9.310 3.813 0.000) 10.061 3.994 ( 15.626 15.699 0.000) 22.151 4.054 ( 10.240 1.354 0.000) 10.329 4.337 ( -9.619 -3.262 0.000) 10.157 4.618 ( -8.578 10.562 0.000) 13.606 4.662 ( -6.792 18.045 0.000) 19.281 5.437 ( -9.582 21.775 0.000) 23.790 5.588 ( 19.017 35.770 0.000) 40.511 5.712 ( 8.235 -0.645 0.000) 8.260 6.006 ( -8.938 46.434 0.000) 47.286 6.406 ( -0.285 -3.717 0.000) 3.728 6.469 ( -7.534 -7.056 0.000) 10.322 6.837 ( -8.983 -4.544 0.000) 10.067 7.504 ( 7.663 -4.811 0.000) 9.048 7.591 ( 15.064 -13.957 0.000) 20.536 7.977 ( 11.361 21.534 0.000) 24.347 8.065 ( -20.837 35.206 0.000) 40.910 8.076 ( 6.116 10.986 0.000) 12.574 8.290 ( -13.286 -6.219 0.000) 14.669 8.383 ( -1.790 10.470 0.000) 10.622 8.546 ( 22.441 9.234 0.000) 24.267 8.587 ( -15.290 -1.424 0.000) 15.356 8.642 ( -10.759 28.674 0.000) 30.626 8.886 ( 1.937 30.237 0.000) 30.299 9.192 ( -2.358 0.530 0.000) 2.417 9.388 ( -3.403 2.347 0.000) 4.134 9.423 ( -7.224 3.875 0.000) 8.198 9.549 ( -6.514 -0.576 0.000) 6.540 9.625 ( -17.200 39.215 0.000) 42.821 9.909 ( -2.523 1.276 0.000) 2.827 10.148 ( 3.111 0.980 0.000) 3.262 10.318 ( 9.865 10.592 0.000) 14.474 10.599 ( -20.004 7.749 0.000) 21.453 10.653 ( 9.254 4.948 0.000) 10.494 11.028 ( 7.813 7.223 0.000) 10.640 11.254 ( -3.040 -7.442 0.000) 8.039 11.596 ( 2.387 9.894 0.000) 10.178 11.763 ( 5.948 18.113 0.000) 19.065 12.062 ( 13.237 0.262 0.000) 13.239 12.163 ( 8.530 18.551 0.000) 20.418 12.470 ( 4.814 -7.352 0.000) 8.788 12.513 ( -1.488 9.647 0.000) 9.761 12.861 ( -10.448 -0.618 0.000) 10.466 13.062 ( -12.986 9.366 0.000) 16.011 13.182 ( 6.963 16.282 0.000) 17.709 13.401 ( 2.372 14.748 0.000) 14.938 13.659 ( -2.670 6.720 0.000) 7.231 13.831 ( -9.256 -1.052 0.000) 9.316 14.126 ( 11.978 -30.054 0.000) 32.353 14.168 ( 16.082 -27.154 0.000) 31.559 14.288 ( 4.038 -19.225 0.000) 19.645 14.734 ( -6.060 -7.093 0.000) 9.329 15.587 ( 7.636 -24.077 0.000) 25.258 16.041 ( 5.039 0.119 0.000) 5.041 16.195 ( -20.291 -10.030 0.000) 22.635 16.415 ( -8.318 -25.171 0.000) 26.510 16.718 ( 23.740 -14.257 0.000) 27.692 17.388 ( 2.848 -29.055 0.000) 29.194 17.399 ( 1.508 -22.893 0.000) 22.942 17.714 ( -0.754 -18.867 0.000) 18.883 17.919 ( -0.571 -8.917 0.000) 8.935 18.017 ( -6.123 -19.594 0.000) 20.529 18.170 ( -12.097 8.126 0.000) 14.573 18.546 ( -10.297 -1.416 0.000) 10.394 18.707 ( 5.607 -1.433 0.000) 5.788 18.913 ( -5.360 4.390 0.000) 6.928 19.745 ( 4.362 -6.467 0.000) 7.801 19.769 ( 2.096 -11.851 0.000) 12.035 20.546 ( 4.447 2.506 0.000) 5.105 20.553 ( 4.025 -9.426 0.000) 10.249 21.376 ( 3.961 11.606 0.000) 12.264 21.476 ( 3.635 8.503 0.000) 9.247 22.045 ( 2.723 -7.237 0.000) 7.732 22.350 ( -7.990 -4.994 0.000) 9.422 23.227 ( 2.898 3.835 0.000) 4.807 23.396 ( -4.313 7.193 0.000) 8.387 23.923 ( 5.104 -9.248 0.000) 10.563 24.078 ( -0.714 -9.943 0.000) 9.969 25.865 ( 2.600 5.032 0.000) 5.664 25.936 ( -0.410 2.663 0.000) 2.694 26.135 ( -0.234 -2.771 0.000) 2.781 26.230 ( -4.541 -2.047 0.000) 4.981 26.807 ( 6.544 10.080 0.000) 12.018 27.016 ( 13.453 10.218 0.000) 16.893 27.084 ( -3.845 15.179 0.000) 15.658 27.823 ( -19.126 8.853 0.000) 21.075 28.130 ( -5.408 23.037 0.000) 23.664 28.236 ( -4.452 15.661 0.000) 16.281 28.980 ( 5.022 2.634 0.000) 5.671 29.632 ( -16.660 -9.274 0.000) 19.067 33.561 ( 2.112 5.596 0.000) 5.981 33.633 ( -1.010 5.554 0.000) 5.645 34.804 ( 10.009 -13.778 0.000) 17.030 35.069 ( 3.803 -27.388 0.000) 27.651 ======================= Grid point 17 (12/80) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( -18.395 10.614 0.000) 21.237 2.824 ( 18.395 10.614 0.000) 21.237 3.818 ( -31.440 8.707 0.000) 32.623 3.818 ( 31.440 8.707 0.000) 32.623 4.312 ( -12.289 3.305 0.000) 12.725 4.312 ( 12.289 3.305 0.000) 12.725 4.377 ( -14.578 12.474 0.000) 19.186 4.377 ( 14.578 12.474 0.000) 19.186 5.560 ( -13.286 31.343 0.000) 34.042 5.560 ( 13.286 31.343 0.000) 34.042 5.902 ( -6.489 -1.660 0.000) 6.698 5.902 ( 6.489 -1.660 0.000) 6.698 6.439 ( -3.828 1.420 0.000) 4.083 6.439 ( 3.828 1.420 0.000) 4.083 7.097 ( -35.657 39.983 0.000) 53.573 7.097 ( 35.657 39.983 0.000) 53.573 7.895 ( -15.107 -0.985 0.000) 15.139 7.895 ( 15.107 -0.985 0.000) 15.139 8.058 ( -13.714 -14.895 0.000) 20.247 8.058 ( 13.714 -14.895 0.000) 20.247 8.334 ( -12.638 -13.796 0.000) 18.709 8.334 ( 12.638 -13.796 0.000) 18.709 8.348 ( -2.189 47.005 0.000) 47.056 8.348 ( 2.189 47.005 0.000) 47.056 9.006 ( -20.581 3.703 0.000) 20.912 9.006 ( 20.581 3.703 0.000) 20.912 9.186 ( -14.406 24.834 0.000) 28.710 9.186 ( 14.406 24.834 0.000) 28.710 9.264 ( -1.104 13.808 0.000) 13.852 9.264 ( 1.104 13.808 0.000) 13.852 9.765 ( -11.533 0.311 0.000) 11.537 9.765 ( 11.533 0.311 0.000) 11.537 10.224 ( -7.296 9.423 0.000) 11.917 10.224 ( 7.296 9.423 0.000) 11.917 10.635 ( -10.375 0.438 0.000) 10.385 10.635 ( 10.375 0.438 0.000) 10.385 11.163 ( -3.583 2.860 0.000) 4.584 11.163 ( 3.583 2.860 0.000) 4.584 11.729 ( -6.120 8.058 0.000) 10.118 11.729 ( 6.120 8.058 0.000) 10.118 12.374 ( -10.848 0.370 0.000) 10.854 12.374 ( 10.848 0.370 0.000) 10.854 12.390 ( -7.059 18.306 0.000) 19.620 12.390 ( 7.059 18.306 0.000) 19.620 12.812 ( -7.650 -0.159 0.000) 7.652 12.812 ( 7.651 -0.159 0.000) 7.652 13.359 ( -6.918 20.670 0.000) 21.797 13.359 ( 6.918 20.670 0.000) 21.797 13.647 ( -3.356 3.262 0.000) 4.680 13.647 ( 3.356 3.262 0.000) 4.680 14.286 ( -4.412 -28.359 0.000) 28.700 14.286 ( 4.412 -28.359 0.000) 28.700 14.541 ( -12.735 -20.063 0.000) 23.764 14.541 ( 12.735 -20.063 0.000) 23.764 15.807 ( -13.493 -16.394 0.000) 21.233 15.807 ( 13.493 -16.394 0.000) 21.233 16.203 ( -8.755 -8.948 0.000) 12.519 16.203 ( 8.755 -8.948 0.000) 12.519 17.270 ( -20.302 -21.640 0.000) 29.673 17.270 ( 20.302 -21.640 0.000) 29.673 17.486 ( -8.912 -19.130 0.000) 21.104 17.486 ( 8.912 -19.130 0.000) 21.104 17.889 ( -4.292 -15.713 0.000) 16.289 17.889 ( 4.292 -15.713 0.000) 16.289 18.292 ( -12.394 1.803 0.000) 12.524 18.292 ( 12.394 1.803 0.000) 12.524 18.810 ( -4.314 -1.990 0.000) 4.751 18.810 ( 4.314 -1.990 0.000) 4.751 19.805 ( -0.261 -4.933 0.000) 4.939 19.805 ( 0.261 -4.933 0.000) 4.939 20.586 ( -0.108 -0.278 0.000) 0.298 20.586 ( 0.108 -0.278 0.000) 0.298 21.481 ( -3.866 7.078 0.000) 8.065 21.481 ( 3.866 7.078 0.000) 8.065 22.160 ( -8.272 -5.743 0.000) 10.070 22.160 ( 8.272 -5.743 0.000) 10.070 23.304 ( -4.046 5.445 0.000) 6.784 23.304 ( 4.046 5.445 0.000) 6.784 24.025 ( -3.944 -10.192 0.000) 10.929 24.025 ( 3.944 -10.192 0.000) 10.929 25.916 ( -1.657 3.414 0.000) 3.795 25.916 ( 1.657 3.414 0.000) 3.795 26.153 ( -2.247 -2.382 0.000) 3.274 26.153 ( 2.247 -2.382 0.000) 3.274 26.960 ( -7.027 13.749 0.000) 15.440 26.960 ( 7.027 13.749 0.000) 15.440 27.365 ( -19.094 15.061 0.000) 24.319 27.365 ( 19.094 15.061 0.000) 24.319 28.143 ( -3.563 14.376 0.000) 14.811 28.143 ( 3.563 14.376 0.000) 14.811 29.256 ( -16.885 -5.524 0.000) 17.766 29.256 ( 16.885 -5.524 0.000) 17.766 33.604 ( -1.725 5.762 0.000) 6.015 33.604 ( 1.725 5.762 0.000) 6.015 35.007 ( -7.599 -19.993 0.000) 21.389 35.007 ( 7.599 -19.993 0.000) 21.389 ======================= Grid point 21 (13/80) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( 0.000 44.126 0.000) 44.126 3.232 ( 0.000 51.162 0.000) 51.162 3.726 ( 0.000 -6.722 0.000) 6.722 3.730 ( 0.000 -2.739 0.000) 2.739 3.984 ( 0.000 24.074 0.000) 24.074 4.314 ( 0.000 -2.258 0.000) 2.258 4.842 ( 0.000 8.324 0.000) 8.324 5.317 ( 0.000 37.573 0.000) 37.573 5.451 ( 0.000 -5.267 0.000) 5.267 5.781 ( 0.000 13.867 0.000) 13.867 5.961 ( 0.000 -14.796 0.000) 14.796 6.187 ( 0.000 -17.912 0.000) 17.912 6.640 ( 0.000 -9.427 0.000) 9.427 6.696 ( 0.000 -19.914 0.000) 19.914 7.104 ( 0.000 -10.952 0.000) 10.952 7.153 ( 0.000 38.006 0.000) 38.006 7.547 ( 0.000 -17.527 0.000) 17.527 7.736 ( 0.000 8.004 0.000) 8.004 7.742 ( 0.000 15.525 0.000) 15.525 8.089 ( 0.000 -2.295 0.000) 2.295 8.204 ( 0.000 14.308 0.000) 14.308 8.436 ( 0.000 14.808 0.000) 14.808 8.722 ( 0.000 -16.781 0.000) 16.781 8.995 ( 0.000 18.365 0.000) 18.365 9.133 ( 0.000 7.819 0.000) 7.819 9.579 ( 0.000 -9.011 0.000) 9.011 9.622 ( 0.000 7.941 0.000) 7.941 9.784 ( 0.000 -2.600 0.000) 2.600 9.878 ( 0.000 22.575 0.000) 22.575 10.051 ( 0.000 17.969 0.000) 17.969 10.172 ( 0.000 64.871 0.000) 64.871 10.250 ( 0.000 -7.719 0.000) 7.719 10.437 ( 0.000 49.418 0.000) 49.418 10.966 ( 0.000 20.098 0.000) 20.098 10.970 ( 0.000 18.125 0.000) 18.125 11.092 ( 0.000 13.197 0.000) 13.197 11.375 ( 0.000 -2.970 0.000) 2.970 11.543 ( 0.000 49.412 0.000) 49.412 11.659 ( 0.000 27.227 0.000) 27.227 11.848 ( 0.000 -5.251 0.000) 5.251 11.885 ( 0.000 21.313 0.000) 21.313 12.266 ( 0.000 -27.219 0.000) 27.219 12.304 ( 0.000 -31.629 0.000) 31.629 12.338 ( 0.000 18.525 0.000) 18.525 12.483 ( 0.000 -9.154 0.000) 9.154 12.527 ( 0.000 5.476 0.000) 5.476 12.940 ( 0.000 -9.512 0.000) 9.512 13.449 ( 0.000 8.191 0.000) 8.191 13.835 ( 0.000 -4.994 0.000) 4.994 13.870 ( 0.000 -1.140 0.000) 1.140 13.873 ( 0.000 -18.156 0.000) 18.156 14.093 ( 0.000 7.723 0.000) 7.723 14.443 ( 0.000 31.033 0.000) 31.033 14.746 ( 0.000 -25.962 0.000) 25.962 14.914 ( 0.000 -15.480 0.000) 15.480 15.706 ( 0.000 -17.892 0.000) 17.892 15.750 ( 0.000 -6.707 0.000) 6.707 15.899 ( 0.000 -27.497 0.000) 27.497 16.648 ( 0.000 -40.401 0.000) 40.401 16.793 ( 0.000 -23.032 0.000) 23.032 16.868 ( 0.000 -13.122 0.000) 13.122 17.175 ( 0.000 -7.943 0.000) 7.943 17.574 ( 0.000 -36.735 0.000) 36.735 17.861 ( 0.000 -25.644 0.000) 25.644 18.530 ( 0.000 14.939 0.000) 14.939 18.825 ( 0.000 4.243 0.000) 4.243 18.911 ( 0.000 9.684 0.000) 9.684 19.279 ( 0.000 11.849 0.000) 11.849 19.527 ( 0.000 -17.768 0.000) 17.768 19.559 ( 0.000 -4.138 0.000) 4.138 19.670 ( 0.000 -22.623 0.000) 22.623 20.183 ( 0.000 -7.168 0.000) 7.168 21.638 ( 0.000 3.971 0.000) 3.971 21.695 ( 0.000 17.113 0.000) 17.113 21.757 ( 0.000 -1.629 0.000) 1.629 22.417 ( 0.000 -7.126 0.000) 7.126 23.226 ( 0.000 3.809 0.000) 3.809 23.618 ( 0.000 -8.732 0.000) 8.732 23.668 ( 0.000 6.126 0.000) 6.126 23.950 ( 0.000 -4.194 0.000) 4.194 25.943 ( 0.000 6.229 0.000) 6.229 26.035 ( 0.000 6.235 0.000) 6.235 26.107 ( 0.000 -1.209 0.000) 1.209 26.364 ( 0.000 -3.141 0.000) 3.141 26.735 ( 0.000 4.194 0.000) 4.194 26.768 ( 0.000 4.030 0.000) 4.030 27.331 ( 0.000 10.366 0.000) 10.366 27.860 ( 0.000 -7.164 0.000) 7.164 28.724 ( 0.000 20.034 0.000) 20.034 28.773 ( 0.000 22.923 0.000) 22.923 29.776 ( 0.000 -15.706 0.000) 15.706 29.875 ( 0.000 -12.959 0.000) 12.959 33.621 ( 0.000 7.339 0.000) 7.339 33.776 ( 0.000 7.680 0.000) 7.680 34.156 ( 0.000 -9.465 0.000) 9.465 34.355 ( 0.000 -10.491 0.000) 10.491 ======================= Grid point 22 (14/80) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( 6.617 40.020 0.000) 40.563 3.219 ( 0.642 43.412 0.000) 43.417 3.641 ( -5.145 -3.799 0.000) 6.396 3.846 ( 8.152 0.088 0.000) 8.153 4.083 ( 8.994 22.371 0.000) 24.111 4.325 ( -0.622 -6.501 0.000) 6.531 4.853 ( 0.997 8.952 0.000) 9.007 5.202 ( -10.072 14.815 0.000) 17.915 5.518 ( 6.460 -2.162 0.000) 6.813 5.896 ( 3.881 14.582 0.000) 15.090 6.004 ( -15.667 -7.789 0.000) 17.497 6.090 ( 14.315 0.154 0.000) 14.316 6.528 ( -8.708 -6.341 0.000) 10.772 6.811 ( 9.799 -21.678 0.000) 23.789 6.889 ( -12.642 -10.697 0.000) 16.560 7.193 ( 1.446 52.841 0.000) 52.861 7.423 ( -4.644 3.585 0.000) 5.867 7.649 ( 6.776 -20.909 0.000) 21.980 8.020 ( -1.209 -14.070 0.000) 14.122 8.207 ( -1.002 6.907 0.000) 6.979 8.307 ( 22.092 11.184 0.000) 24.761 8.472 ( 0.618 11.809 0.000) 11.825 8.721 ( 5.264 12.609 0.000) 13.664 9.214 ( -6.957 4.004 0.000) 8.027 9.259 ( 16.777 2.697 0.000) 16.992 9.263 ( -3.453 17.618 0.000) 17.954 9.396 ( -12.289 -0.072 0.000) 12.290 9.742 ( -3.270 2.455 0.000) 4.089 9.940 ( -13.637 -4.250 0.000) 14.284 9.980 ( -17.690 52.644 0.000) 55.537 10.146 ( 5.639 12.063 0.000) 13.316 10.259 ( 10.942 18.166 0.000) 21.207 10.305 ( -9.896 54.626 0.000) 55.515 10.776 ( -18.490 15.719 0.000) 24.268 11.019 ( 1.947 22.683 0.000) 22.766 11.063 ( 3.859 15.949 0.000) 16.410 11.283 ( -14.185 23.189 0.000) 27.184 11.315 ( -20.139 14.196 0.000) 24.639 11.665 ( 15.991 12.646 0.000) 20.387 12.024 ( -11.692 0.508 0.000) 11.703 12.072 ( 6.906 11.718 0.000) 13.601 12.142 ( 15.393 13.114 0.000) 20.222 12.316 ( 3.603 14.571 0.000) 15.010 12.387 ( 6.833 -4.393 0.000) 8.124 12.434 ( 10.638 -61.457 0.000) 62.371 12.933 ( -1.854 -7.358 0.000) 7.588 13.155 ( 30.361 2.896 0.000) 30.499 13.409 ( -2.162 7.433 0.000) 7.741 13.598 ( -17.560 -16.548 0.000) 24.128 13.750 ( -5.707 -4.955 0.000) 7.558 13.938 ( 3.683 -5.840 0.000) 6.904 14.153 ( -0.930 9.105 0.000) 9.152 14.388 ( -4.212 31.929 0.000) 32.206 14.779 ( -1.453 -10.530 0.000) 10.630 14.939 ( 5.889 -24.122 0.000) 24.830 15.838 ( 6.920 -8.639 0.000) 11.068 15.886 ( 13.980 -14.248 0.000) 19.961 15.941 ( 5.178 -28.106 0.000) 28.579 16.398 ( -21.883 -17.440 0.000) 27.983 16.655 ( 1.286 -39.098 0.000) 39.119 16.965 ( -1.693 -22.208 0.000) 22.273 17.320 ( 8.998 -9.051 0.000) 12.763 17.558 ( -1.494 -35.657 0.000) 35.688 17.799 ( -4.981 -16.667 0.000) 17.395 18.427 ( -5.825 0.466 0.000) 5.843 18.721 ( -12.632 -0.060 0.000) 12.632 18.791 ( -8.975 7.344 0.000) 11.597 19.191 ( -10.103 3.165 0.000) 10.587 19.466 ( 7.344 -7.766 0.000) 10.688 19.603 ( 6.819 5.164 0.000) 8.553 20.006 ( 18.082 -17.083 0.000) 24.875 20.336 ( 10.689 -6.567 0.000) 12.545 21.605 ( -0.760 6.278 0.000) 6.323 21.661 ( -2.697 16.251 0.000) 16.474 21.842 ( 4.897 -4.354 0.000) 6.553 22.370 ( -4.348 -7.412 0.000) 8.593 23.248 ( 2.088 4.371 0.000) 4.844 23.628 ( -3.480 6.516 0.000) 7.387 23.655 ( 3.232 -8.882 0.000) 9.451 23.945 ( -0.654 -5.425 0.000) 5.464 25.945 ( 0.354 5.864 0.000) 5.874 26.027 ( -0.684 5.690 0.000) 5.731 26.107 ( -0.054 -1.094 0.000) 1.096 26.300 ( -4.630 -2.334 0.000) 5.185 26.815 ( 6.094 5.428 0.000) 8.161 26.873 ( 9.699 3.717 0.000) 10.387 27.357 ( 1.672 11.174 0.000) 11.299 27.879 ( 1.026 -6.505 0.000) 6.586 28.679 ( -3.940 19.396 0.000) 19.792 28.722 ( -4.258 19.931 0.000) 20.381 29.484 ( -28.863 -1.164 0.000) 28.887 29.679 ( -8.597 -14.642 0.000) 16.979 33.646 ( 2.158 8.006 0.000) 8.292 33.776 ( -0.031 8.036 0.000) 8.036 34.354 ( 13.754 -17.509 0.000) 22.265 34.403 ( 4.241 -11.858 0.000) 12.593 ======================= Grid point 23 (15/80) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( 9.350 29.695 0.000) 31.133 3.255 ( -1.397 20.955 0.000) 21.001 3.605 ( 6.590 7.624 0.000) 10.078 4.069 ( 12.457 4.149 0.000) 13.130 4.219 ( -9.271 -9.851 0.000) 13.527 4.347 ( 13.924 19.710 0.000) 24.132 4.788 ( -11.339 6.701 0.000) 13.171 4.941 ( -12.943 9.060 0.000) 15.799 5.679 ( -2.635 -1.812 0.000) 3.198 5.759 ( 10.121 9.889 0.000) 14.150 5.864 ( -5.049 -9.088 0.000) 10.396 6.326 ( -1.195 24.782 0.000) 24.810 6.359 ( -4.385 -2.564 0.000) 5.080 6.626 ( -11.033 -13.255 0.000) 17.246 7.112 ( 17.426 -23.743 0.000) 29.452 7.383 ( 18.077 53.628 0.000) 56.593 7.492 ( 8.643 -2.083 0.000) 8.890 7.753 ( 1.067 -24.264 0.000) 24.288 7.991 ( -0.651 -22.277 0.000) 22.287 8.088 ( -8.830 -1.013 0.000) 8.888 8.394 ( -8.153 18.701 0.000) 20.401 8.694 ( 14.314 10.399 0.000) 17.693 8.880 ( -1.352 32.473 0.000) 32.501 8.970 ( 0.069 17.051 0.000) 17.051 9.194 ( -4.260 -0.274 0.000) 4.268 9.461 ( -8.920 7.903 0.000) 11.917 9.533 ( 6.555 8.194 0.000) 10.493 9.572 ( -2.731 40.047 0.000) 40.140 9.589 ( -7.354 6.179 0.000) 9.605 9.680 ( -4.375 26.569 0.000) 26.927 10.074 ( -10.650 28.350 0.000) 30.285 10.198 ( -5.717 13.590 0.000) 14.744 10.421 ( 3.258 27.327 0.000) 27.520 10.458 ( -5.612 2.203 0.000) 6.029 10.819 ( -10.773 16.772 0.000) 19.933 10.878 ( -15.372 26.831 0.000) 30.922 11.205 ( 4.799 11.800 0.000) 12.738 11.221 ( 3.249 7.484 0.000) 8.159 11.860 ( -1.049 12.233 0.000) 12.278 11.999 ( -6.991 0.167 0.000) 6.993 12.065 ( 16.129 3.153 0.000) 16.434 12.392 ( 6.993 5.877 0.000) 9.135 12.509 ( 3.709 -6.181 0.000) 7.208 12.579 ( 11.574 18.592 0.000) 21.900 12.756 ( 16.096 -54.990 0.000) 57.298 12.819 ( -6.727 -2.557 0.000) 7.196 13.220 ( -13.049 -7.532 0.000) 15.067 13.388 ( -2.737 -15.914 0.000) 16.147 13.631 ( -1.846 4.077 0.000) 4.476 13.780 ( 23.759 -7.185 0.000) 24.821 14.012 ( 3.191 -2.530 0.000) 4.072 14.012 ( -10.447 15.703 0.000) 18.861 14.299 ( -3.354 28.665 0.000) 28.860 14.643 ( -9.878 -2.793 0.000) 10.265 15.172 ( 13.853 -18.764 0.000) 23.323 15.899 ( -15.422 -11.199 0.000) 19.059 15.979 ( 2.088 -17.439 0.000) 17.563 16.009 ( -0.659 -13.882 0.000) 13.898 16.356 ( 22.587 -21.842 0.000) 31.420 16.743 ( 8.199 -33.832 0.000) 34.811 16.873 ( -5.969 -29.133 0.000) 29.738 17.355 ( -6.268 -16.548 0.000) 17.695 17.513 ( -2.314 -31.800 0.000) 31.884 17.698 ( -7.341 -13.932 0.000) 15.748 18.255 ( -5.415 2.122 0.000) 5.816 18.575 ( -10.562 4.466 0.000) 11.467 18.579 ( 2.241 -10.009 0.000) 10.257 18.932 ( -11.969 -2.827 0.000) 12.298 19.708 ( 11.077 5.001 0.000) 12.153 19.780 ( 7.343 9.871 0.000) 12.303 20.349 ( 12.691 -11.056 0.000) 16.831 20.528 ( 5.401 -5.291 0.000) 7.561 21.610 ( -1.223 12.740 0.000) 12.799 21.619 ( 1.241 6.395 0.000) 6.514 21.927 ( 3.610 -5.314 0.000) 6.425 22.232 ( -8.105 -7.372 0.000) 10.956 23.316 ( 4.083 5.419 0.000) 6.785 23.532 ( -5.090 6.761 0.000) 8.463 23.744 ( 4.651 -9.118 0.000) 10.235 23.914 ( -2.382 -7.563 0.000) 7.930 25.964 ( 1.330 4.884 0.000) 5.061 26.011 ( -0.724 4.675 0.000) 4.731 26.106 ( 0.131 -0.757 0.000) 0.768 26.200 ( -4.267 -1.442 0.000) 4.504 26.990 ( 9.802 8.511 0.000) 12.981 27.150 ( 15.420 3.985 0.000) 15.926 27.355 ( -3.026 12.770 0.000) 13.124 27.832 ( -7.773 -3.383 0.000) 8.477 28.568 ( -5.729 17.993 0.000) 18.883 28.573 ( -9.798 19.214 0.000) 21.567 29.025 ( -6.111 1.327 0.000) 6.254 29.429 ( -13.621 -11.691 0.000) 17.950 33.701 ( 2.606 9.079 0.000) 9.446 33.771 ( -0.534 8.819 0.000) 8.835 34.518 ( 5.696 -15.462 0.000) 16.478 34.586 ( 6.085 -22.572 0.000) 23.378 ======================= Grid point 24 (16/80) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.111 ( -9.429 18.285 0.000) 20.573 3.111 ( 9.429 18.285 0.000) 20.573 3.920 ( -17.405 -0.198 0.000) 17.406 3.920 ( 17.405 -0.198 0.000) 17.406 4.400 ( -18.228 7.676 0.000) 19.779 4.400 ( 18.228 7.676 0.000) 19.779 4.658 ( -13.176 14.394 0.000) 19.514 4.658 ( 13.176 14.394 0.000) 19.514 5.731 ( -6.168 -9.267 0.000) 11.132 5.731 ( 6.168 -9.267 0.000) 11.132 6.088 ( -15.959 19.885 0.000) 25.497 6.088 ( 15.959 19.885 0.000) 25.497 6.404 ( -8.192 -2.257 0.000) 8.498 6.404 ( 8.192 -2.257 0.000) 8.498 7.508 ( -15.926 -23.503 0.000) 28.390 7.508 ( 15.926 -23.503 0.000) 28.390 7.686 ( -5.138 0.839 0.000) 5.206 7.686 ( 5.138 0.839 0.000) 5.206 7.990 ( -0.849 -13.318 0.000) 13.345 7.990 ( 0.849 -13.318 0.000) 13.345 8.468 ( -22.106 54.551 0.000) 58.860 8.468 ( 22.106 54.551 0.000) 58.860 8.986 ( -8.581 12.168 0.000) 14.890 8.986 ( 8.581 12.168 0.000) 14.890 9.218 ( -7.048 6.389 0.000) 9.513 9.218 ( 7.048 6.389 0.000) 9.513 9.451 ( -9.035 22.331 0.000) 24.089 9.451 ( 9.035 22.331 0.000) 24.089 9.835 ( -11.128 13.409 0.000) 17.426 9.835 ( 11.128 13.409 0.000) 17.425 9.876 ( -18.828 25.323 0.000) 31.555 9.876 ( 18.828 25.323 0.000) 31.555 10.495 ( -0.676 8.142 0.000) 8.170 10.495 ( 0.676 8.142 0.000) 8.170 10.681 ( -0.899 19.367 0.000) 19.387 10.681 ( 0.899 19.367 0.000) 19.387 11.265 ( -0.046 9.300 0.000) 9.300 11.265 ( 0.046 9.300 0.000) 9.300 11.879 ( -3.282 3.059 0.000) 4.486 11.879 ( 3.282 3.059 0.000) 4.486 12.406 ( -11.692 7.602 0.000) 13.946 12.406 ( 11.692 7.602 0.000) 13.946 12.536 ( -1.474 -3.490 0.000) 3.789 12.536 ( 1.474 -3.490 0.000) 3.789 12.900 ( -6.379 -4.790 0.000) 7.977 12.900 ( 6.379 -4.790 0.000) 7.977 13.191 ( -11.588 -35.985 0.000) 37.805 13.191 ( 11.588 -35.985 0.000) 37.805 13.762 ( -10.865 17.818 0.000) 20.869 13.762 ( 10.865 17.818 0.000) 20.869 14.066 ( -0.194 -0.403 0.000) 0.447 14.066 ( 0.194 -0.403 0.000) 0.447 14.378 ( -12.755 9.000 0.000) 15.610 14.378 ( 12.755 9.000 0.000) 15.610 15.509 ( -17.042 -14.660 0.000) 22.479 15.509 ( 17.042 -14.660 0.000) 22.479 16.020 ( -1.304 -11.254 0.000) 11.330 16.020 ( 1.304 -11.254 0.000) 11.330 16.710 ( -9.787 -32.463 0.000) 33.906 16.710 ( 9.787 -32.463 0.000) 33.906 17.075 ( -19.370 -21.694 0.000) 29.083 17.075 ( 19.370 -21.694 0.000) 29.083 17.507 ( -3.959 -23.040 0.000) 23.378 17.507 ( 3.959 -23.040 0.000) 23.378 18.346 ( -9.822 3.756 0.000) 10.516 18.346 ( 9.822 3.756 0.000) 10.516 18.708 ( -8.477 -7.341 0.000) 11.213 18.708 ( 8.477 -7.341 0.000) 11.213 19.854 ( -1.497 9.226 0.000) 9.347 19.854 ( 1.497 9.226 0.000) 9.347 20.537 ( -4.453 -5.575 0.000) 7.135 20.537 ( 4.453 -5.575 0.000) 7.135 21.618 ( -1.244 7.518 0.000) 7.620 21.618 ( 1.244 7.518 0.000) 7.620 22.048 ( -7.858 -6.071 0.000) 9.930 22.048 ( 7.858 -6.071 0.000) 9.930 23.418 ( -5.160 6.299 0.000) 8.143 23.418 ( 5.160 6.299 0.000) 8.143 23.842 ( -4.114 -8.866 0.000) 9.774 23.842 ( 4.114 -8.866 0.000) 9.774 25.993 ( -1.081 4.198 0.000) 4.335 25.993 ( 1.081 4.198 0.000) 4.335 26.128 ( -2.164 -0.742 0.000) 2.287 26.128 ( 2.164 -0.742 0.000) 2.287 27.211 ( -9.535 11.833 0.000) 15.197 27.211 ( 9.535 11.833 0.000) 15.197 27.523 ( -18.039 2.761 0.000) 18.249 27.523 ( 18.039 2.761 0.000) 18.249 28.472 ( -1.592 17.832 0.000) 17.903 28.472 ( 1.592 17.832 0.000) 17.903 29.137 ( -11.845 -6.814 0.000) 13.665 29.137 ( 11.845 -6.814 0.000) 13.665 33.748 ( -1.632 9.375 0.000) 9.516 33.748 ( 1.632 9.375 0.000) 9.516 34.616 ( -2.481 -19.993 0.000) 20.147 34.616 ( 2.481 -19.993 0.000) 20.147 ======================= Grid point 28 (17/80) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.446 ( 0.000 38.312 0.000) 38.312 3.595 ( 0.000 -0.047 0.000) 0.047 3.624 ( 0.000 -3.527 0.000) 3.527 4.060 ( 0.000 -23.951 0.000) 23.951 4.292 ( 0.000 47.369 0.000) 47.369 4.467 ( 0.000 25.068 0.000) 25.068 4.868 ( 0.000 -12.470 0.000) 12.470 5.117 ( 0.000 -36.446 0.000) 36.446 5.433 ( 0.000 10.857 0.000) 10.857 5.786 ( 0.000 -21.879 0.000) 21.879 6.066 ( 0.000 13.588 0.000) 13.588 6.118 ( 0.000 11.369 0.000) 11.369 6.471 ( 0.000 -3.900 0.000) 3.900 6.497 ( 0.000 -5.274 0.000) 5.274 6.916 ( 0.000 -6.589 0.000) 6.589 7.007 ( 0.000 -17.834 0.000) 17.834 7.861 ( 0.000 5.669 0.000) 5.669 7.963 ( 0.000 -3.136 0.000) 3.136 8.006 ( 0.000 25.562 0.000) 25.562 8.080 ( 0.000 13.804 0.000) 13.804 8.267 ( 0.000 -5.057 0.000) 5.057 8.396 ( 0.000 -17.002 0.000) 17.002 8.852 ( 0.000 26.944 0.000) 26.944 9.306 ( 0.000 -19.247 0.000) 19.247 9.374 ( 0.000 18.478 0.000) 18.478 9.489 ( 0.000 26.948 0.000) 26.948 9.657 ( 0.000 -10.641 0.000) 10.641 9.857 ( 0.000 -12.745 0.000) 12.745 9.917 ( 0.000 27.663 0.000) 27.663 10.343 ( 0.000 12.148 0.000) 12.148 10.399 ( 0.000 4.143 0.000) 4.143 10.908 ( 0.000 -58.546 0.000) 58.546 11.026 ( 0.000 20.682 0.000) 20.682 11.220 ( 0.000 -0.187 0.000) 0.187 11.289 ( 0.000 29.433 0.000) 29.433 11.298 ( 0.000 14.743 0.000) 14.743 11.418 ( 0.000 19.086 0.000) 19.086 11.502 ( 0.000 -8.071 0.000) 8.071 11.843 ( 0.000 7.805 0.000) 7.805 11.848 ( 0.000 10.638 0.000) 10.638 12.198 ( 0.000 9.751 0.000) 9.751 12.226 ( 0.000 0.756 0.000) 0.756 12.332 ( 0.000 7.283 0.000) 7.283 12.623 ( 0.000 -22.674 0.000) 22.674 12.648 ( 0.000 21.522 0.000) 21.522 12.953 ( 0.000 40.133 0.000) 40.133 13.006 ( 0.000 51.248 0.000) 51.248 13.298 ( 0.000 -31.215 0.000) 31.215 13.537 ( 0.000 8.314 0.000) 8.314 13.739 ( 0.000 -13.603 0.000) 13.603 13.845 ( 0.000 -34.159 0.000) 34.159 13.947 ( 0.000 14.674 0.000) 14.674 14.066 ( 0.000 -45.881 0.000) 45.881 14.359 ( 0.000 -30.226 0.000) 30.226 15.141 ( 0.000 35.194 0.000) 35.194 15.481 ( 0.000 -2.017 0.000) 2.017 15.625 ( 0.000 -11.341 0.000) 11.341 15.682 ( 0.000 -16.755 0.000) 16.755 16.231 ( 0.000 14.391 0.000) 14.391 16.443 ( 0.000 -7.061 0.000) 7.061 16.588 ( 0.000 -15.267 0.000) 15.267 16.829 ( 0.000 -38.602 0.000) 38.602 17.134 ( 0.000 5.082 0.000) 5.082 17.385 ( 0.000 -20.792 0.000) 20.792 18.801 ( 0.000 12.208 0.000) 12.208 18.903 ( 0.000 2.160 0.000) 2.160 19.122 ( 0.000 11.206 0.000) 11.206 19.279 ( 0.000 -7.446 0.000) 7.446 19.307 ( 0.000 -7.127 0.000) 7.127 19.323 ( 0.000 -12.507 0.000) 12.507 19.689 ( 0.000 14.713 0.000) 14.713 19.975 ( 0.000 -13.787 0.000) 13.787 21.695 ( 0.000 2.176 0.000) 2.176 21.728 ( 0.000 -1.452 0.000) 1.452 21.999 ( 0.000 14.383 0.000) 14.383 22.243 ( 0.000 -10.962 0.000) 10.962 23.322 ( 0.000 6.093 0.000) 6.093 23.457 ( 0.000 -7.854 0.000) 7.854 23.773 ( 0.000 5.014 0.000) 5.014 23.865 ( 0.000 -4.611 0.000) 4.611 26.038 ( 0.000 3.619 0.000) 3.619 26.085 ( 0.000 -1.484 0.000) 1.484 26.165 ( 0.000 6.813 0.000) 6.813 26.283 ( 0.000 -5.297 0.000) 5.297 26.798 ( 0.000 2.247 0.000) 2.247 26.814 ( 0.000 0.723 0.000) 0.723 27.525 ( 0.000 9.810 0.000) 9.810 27.705 ( 0.000 -8.851 0.000) 8.851 29.102 ( 0.000 19.149 0.000) 19.149 29.204 ( 0.000 21.443 0.000) 21.443 29.455 ( 0.000 -17.608 0.000) 17.608 29.581 ( 0.000 -17.596 0.000) 17.596 33.781 ( 0.000 9.192 0.000) 9.192 33.945 ( 0.000 9.838 0.000) 9.838 33.967 ( 0.000 -10.007 0.000) 10.007 34.147 ( 0.000 -10.918 0.000) 10.918 ======================= Grid point 29 (18/80) ======================= q-point: ( 0.17 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.457 ( 0.689 35.349 0.000) 35.355 3.601 ( 0.622 0.216 0.000) 0.659 3.613 ( -1.290 0.314 0.000) 1.328 4.031 ( -2.853 -23.119 0.000) 23.294 4.273 ( 0.036 40.384 0.000) 40.384 4.534 ( 6.051 22.466 0.000) 23.267 4.878 ( 0.767 -10.055 0.000) 10.084 4.998 ( -8.635 -30.919 0.000) 32.102 5.535 ( 8.594 7.829 0.000) 11.625 5.775 ( -2.006 -14.234 0.000) 14.375 5.996 ( -3.484 14.565 0.000) 14.976 6.278 ( 6.879 -7.076 0.000) 9.868 6.459 ( -2.949 -0.863 0.000) 3.072 6.520 ( 4.691 -8.350 0.000) 9.578 6.822 ( -1.860 11.627 0.000) 11.775 7.189 ( 8.854 -22.642 0.000) 24.312 7.528 ( -10.956 7.756 0.000) 13.423 7.731 ( -10.802 -13.496 0.000) 17.286 8.001 ( -1.411 22.063 0.000) 22.108 8.227 ( -4.605 -4.920 0.000) 6.739 8.544 ( 23.537 12.390 0.000) 26.599 8.748 ( 20.842 -7.493 0.000) 22.148 8.887 ( 4.926 27.111 0.000) 27.555 9.249 ( -3.401 -11.488 0.000) 11.980 9.446 ( 6.990 13.483 0.000) 15.187 9.519 ( -2.344 20.172 0.000) 20.308 9.560 ( -20.485 13.719 0.000) 24.654 9.662 ( 1.480 -8.209 0.000) 8.341 9.826 ( -0.948 3.023 0.000) 3.169 10.241 ( -0.792 -8.646 0.000) 8.682 10.604 ( 8.309 15.037 0.000) 17.180 10.711 ( -22.462 19.918 0.000) 30.021 10.886 ( -22.585 -0.886 0.000) 22.602 11.169 ( 16.130 -45.136 0.000) 47.932 11.257 ( -4.645 32.684 0.000) 33.012 11.384 ( 4.508 5.825 0.000) 7.366 11.520 ( 0.589 24.320 0.000) 24.328 11.561 ( 5.262 -3.341 0.000) 6.233 11.715 ( -9.941 18.727 0.000) 21.202 11.905 ( 1.912 3.236 0.000) 3.758 12.096 ( -14.775 24.041 0.000) 28.219 12.221 ( 2.400 15.899 0.000) 16.079 12.363 ( -2.040 6.200 0.000) 6.527 12.394 ( 0.264 -8.550 0.000) 8.554 12.573 ( -0.893 -14.914 0.000) 14.940 12.964 ( -1.546 26.365 0.000) 26.410 13.002 ( -15.219 -39.127 0.000) 41.983 13.267 ( -17.294 -8.486 0.000) 19.264 13.456 ( 23.728 28.469 0.000) 37.061 13.863 ( 3.991 6.010 0.000) 7.215 13.899 ( 6.037 6.587 0.000) 8.935 14.053 ( 11.503 -23.643 0.000) 26.293 14.406 ( 19.333 -23.828 0.000) 30.684 14.431 ( 5.481 -23.244 0.000) 23.881 15.065 ( -6.624 34.893 0.000) 35.516 15.597 ( 9.597 -6.061 0.000) 11.350 15.620 ( -1.102 -18.926 0.000) 18.958 15.734 ( 4.980 -14.822 0.000) 15.636 16.170 ( -17.265 3.017 0.000) 17.527 16.261 ( 3.514 13.507 0.000) 13.957 16.507 ( -8.071 -24.661 0.000) 25.948 16.834 ( 0.631 -37.441 0.000) 37.446 17.267 ( 6.829 4.485 0.000) 8.170 17.469 ( 4.190 -15.423 0.000) 15.982 18.487 ( -15.145 5.535 0.000) 16.125 18.623 ( -19.467 -7.854 0.000) 20.992 18.963 ( -11.665 9.599 0.000) 15.107 19.130 ( -13.100 -7.183 0.000) 14.940 19.503 ( 19.135 8.789 0.000) 21.057 19.721 ( 20.757 -13.137 0.000) 24.565 19.839 ( 10.682 15.933 0.000) 19.182 20.135 ( 11.140 -13.764 0.000) 17.707 21.700 ( 0.929 4.013 0.000) 4.119 21.770 ( 2.799 -3.445 0.000) 4.439 21.954 ( -3.872 14.028 0.000) 14.553 22.194 ( -4.368 -10.897 0.000) 11.740 23.352 ( 2.736 6.398 0.000) 6.959 23.491 ( 3.038 -8.003 0.000) 8.560 23.741 ( -2.877 5.471 0.000) 6.182 23.843 ( -2.029 -5.253 0.000) 5.631 26.037 ( -0.003 3.615 0.000) 3.615 26.085 ( 0.010 -1.568 0.000) 1.568 26.141 ( -1.863 5.833 0.000) 6.123 26.239 ( -3.390 -4.172 0.000) 5.375 26.893 ( 7.960 2.669 0.000) 8.395 26.914 ( 9.104 0.523 0.000) 9.119 27.558 ( 2.381 9.857 0.000) 10.140 27.734 ( 2.034 -8.485 0.000) 8.725 29.044 ( -5.145 18.329 0.000) 19.038 29.084 ( -9.846 17.148 0.000) 19.774 29.359 ( -17.730 -11.057 0.000) 20.895 29.379 ( -6.752 -16.578 0.000) 17.900 33.826 ( 3.729 10.774 0.000) 11.401 33.955 ( 0.785 10.486 0.000) 10.515 34.059 ( 7.107 -13.553 0.000) 15.304 34.172 ( 2.185 -11.944 0.000) 12.142 ======================= Grid point 30 (19/80) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.465 ( 0.175 27.893 0.000) 27.894 3.540 ( -3.724 9.738 0.000) 10.426 3.665 ( 4.493 -2.860 0.000) 5.326 3.933 ( -5.974 -20.039 0.000) 20.910 4.360 ( 8.256 24.841 0.000) 26.177 4.692 ( 6.644 14.387 0.000) 15.847 4.838 ( -4.872 -20.058 0.000) 20.641 4.848 ( -5.568 -1.630 0.000) 5.801 5.676 ( -1.332 2.801 0.000) 3.102 5.781 ( 9.969 -5.748 0.000) 11.507 5.888 ( -6.725 14.758 0.000) 16.218 6.274 ( -6.926 -21.625 0.000) 22.707 6.441 ( 4.066 10.530 0.000) 11.288 6.712 ( 12.957 -17.464 0.000) 21.745 6.813 ( -2.613 23.992 0.000) 24.134 7.262 ( -3.871 -23.727 0.000) 24.040 7.492 ( 6.091 3.056 0.000) 6.815 7.643 ( 2.373 -13.188 0.000) 13.400 7.911 ( -7.115 9.913 0.000) 12.202 8.043 ( -11.562 -4.793 0.000) 12.515 8.912 ( 10.084 11.864 0.000) 15.570 9.095 ( 8.631 -4.787 0.000) 9.870 9.123 ( 12.756 18.798 0.000) 22.717 9.161 ( -10.706 20.341 0.000) 22.987 9.187 ( 1.402 2.218 0.000) 2.624 9.520 ( 2.472 -7.882 0.000) 8.260 9.646 ( 8.911 11.204 0.000) 14.316 9.786 ( 7.700 -3.012 0.000) 8.269 9.890 ( 8.053 29.018 0.000) 30.114 10.222 ( -18.850 18.689 0.000) 26.544 10.334 ( 5.017 -6.210 0.000) 7.983 10.415 ( -16.783 -4.635 0.000) 17.411 10.657 ( -3.261 14.750 0.000) 15.107 10.951 ( -22.733 51.219 0.000) 56.038 11.392 ( 2.752 -37.244 0.000) 37.346 11.440 ( -3.004 8.745 0.000) 9.246 11.481 ( -1.988 10.582 0.000) 10.767 11.502 ( -8.445 24.092 0.000) 25.529 11.524 ( -0.039 15.962 0.000) 15.962 11.858 ( -6.345 -5.430 0.000) 8.351 12.032 ( 6.954 1.862 0.000) 7.199 12.311 ( -6.106 -19.704 0.000) 20.628 12.379 ( 12.232 18.471 0.000) 22.154 12.395 ( 1.304 -12.348 0.000) 12.417 12.539 ( -4.730 -28.259 0.000) 28.652 12.797 ( -0.234 -29.005 0.000) 29.006 12.914 ( -7.846 10.436 0.000) 13.056 12.999 ( -3.511 0.313 0.000) 3.525 13.896 ( 15.484 17.109 0.000) 23.075 13.952 ( 5.666 16.995 0.000) 17.915 14.074 ( 6.984 6.645 0.000) 9.640 14.195 ( 0.969 -4.829 0.000) 4.926 14.548 ( 5.183 -3.454 0.000) 6.228 14.809 ( 17.593 -21.933 0.000) 28.117 14.882 ( -9.573 31.383 0.000) 32.811 15.499 ( -11.906 -31.556 0.000) 33.727 15.771 ( 4.924 -3.371 0.000) 5.968 15.897 ( -5.654 10.947 0.000) 12.321 15.932 ( 12.035 -19.106 0.000) 22.581 16.321 ( -8.110 -28.336 0.000) 29.474 16.439 ( 14.049 7.978 0.000) 16.157 16.877 ( 4.216 -31.771 0.000) 32.050 17.216 ( -12.408 3.320 0.000) 12.845 17.411 ( -11.839 -14.522 0.000) 18.737 18.301 ( -0.727 3.364 0.000) 3.441 18.402 ( 1.688 -7.436 0.000) 7.625 18.694 ( -12.490 7.231 0.000) 14.432 18.832 ( -13.530 -6.715 0.000) 15.105 19.889 ( 14.925 12.098 0.000) 19.212 20.049 ( 7.177 16.180 0.000) 17.700 20.128 ( 15.801 -12.180 0.000) 19.951 20.343 ( 6.430 -13.366 0.000) 14.832 21.731 ( 1.627 5.416 0.000) 5.655 21.830 ( 2.951 -5.003 0.000) 5.809 21.853 ( -4.827 12.164 0.000) 13.087 22.066 ( -6.968 -9.939 0.000) 12.138 23.434 ( 4.642 6.839 0.000) 8.266 23.578 ( 4.693 -8.118 0.000) 9.377 23.656 ( -4.763 6.325 0.000) 7.918 23.779 ( -3.814 -6.592 0.000) 7.616 26.044 ( 0.664 3.273 0.000) 3.340 26.088 ( 0.370 -1.440 0.000) 1.487 26.099 ( -1.852 4.161 0.000) 4.554 26.163 ( -3.211 -2.552 0.000) 4.102 27.122 ( 12.616 5.014 0.000) 13.576 27.179 ( 14.644 -0.836 0.000) 14.668 27.571 ( -2.829 9.783 0.000) 10.184 27.731 ( -4.291 -6.876 0.000) 8.105 28.860 ( -9.161 11.041 0.000) 14.347 28.900 ( -7.373 16.198 0.000) 17.797 29.004 ( -10.017 -4.080 0.000) 10.816 29.186 ( -10.208 -13.703 0.000) 17.088 33.912 ( 3.576 12.997 0.000) 13.480 33.971 ( 0.506 12.003 0.000) 12.014 34.203 ( 5.012 -17.418 0.000) 18.125 34.227 ( 2.478 -14.490 0.000) 14.700 ======================= Grid point 31 (20/80) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.480 ( -1.544 18.881 0.000) 18.944 3.480 ( 1.544 18.881 0.000) 18.944 3.791 ( -6.685 -12.442 0.000) 14.125 3.791 ( 6.685 -12.442 0.000) 14.125 4.605 ( -13.006 12.219 0.000) 17.845 4.605 ( 13.006 12.219 0.000) 17.845 4.787 ( -1.146 -3.438 0.000) 3.624 4.787 ( 1.146 -3.438 0.000) 3.624 5.728 ( -6.535 11.237 0.000) 12.999 5.728 ( 6.535 11.237 0.000) 12.999 6.042 ( -12.863 -16.442 0.000) 20.876 6.042 ( 12.863 -16.442 0.000) 20.876 6.640 ( -11.633 19.814 0.000) 22.976 6.640 ( 11.633 19.814 0.000) 22.976 7.034 ( -14.977 -22.248 0.000) 26.820 7.034 ( 14.977 -22.248 0.000) 26.820 7.702 ( -11.326 1.899 0.000) 11.484 7.702 ( 11.326 1.899 0.000) 11.484 7.791 ( -10.284 -7.503 0.000) 12.730 7.791 ( 10.284 -7.503 0.000) 12.730 9.036 ( -2.862 9.277 0.000) 9.709 9.036 ( 2.862 9.277 0.000) 9.709 9.157 ( -0.016 -3.044 0.000) 3.044 9.157 ( 0.016 -3.044 0.000) 3.044 9.552 ( -16.695 20.827 0.000) 26.693 9.552 ( 16.695 20.827 0.000) 26.693 9.679 ( -12.953 3.338 0.000) 13.376 9.679 ( 12.953 3.338 0.000) 13.376 10.101 ( -2.645 16.464 0.000) 16.675 10.101 ( 2.645 16.464 0.000) 16.675 10.345 ( -2.281 -3.576 0.000) 4.242 10.345 ( 2.281 -3.576 0.000) 4.242 10.551 ( -2.773 40.376 0.000) 40.471 10.551 ( 2.773 40.376 0.000) 40.471 11.365 ( -2.667 30.235 0.000) 30.352 11.365 ( 2.667 30.235 0.000) 30.352 11.453 ( -1.337 -7.834 0.000) 7.948 11.453 ( 1.337 -7.834 0.000) 7.948 11.661 ( -9.749 -22.301 0.000) 24.339 11.661 ( 9.749 -22.301 0.000) 24.339 12.171 ( -5.993 -14.489 0.000) 15.680 12.171 ( 5.993 -14.489 0.000) 15.680 12.433 ( -3.717 -20.379 0.000) 20.715 12.433 ( 3.717 -20.379 0.000) 20.715 12.682 ( -13.159 14.641 0.000) 19.685 12.682 ( 13.159 14.641 0.000) 19.685 12.911 ( -6.553 -10.299 0.000) 12.207 12.911 ( 6.553 -10.299 0.000) 12.207 14.071 ( -1.807 10.834 0.000) 10.984 14.071 ( 1.807 10.834 0.000) 10.984 14.151 ( -1.375 7.121 0.000) 7.252 14.151 ( 1.375 7.121 0.000) 7.252 14.684 ( -7.957 20.050 0.000) 21.571 14.684 ( 7.957 20.050 0.000) 21.571 15.174 ( -16.289 -24.791 0.000) 29.663 15.174 ( 16.289 -24.791 0.000) 29.663 15.840 ( -1.964 1.904 0.000) 2.736 15.840 ( 1.964 1.904 0.000) 2.736 16.154 ( -8.159 -25.002 0.000) 26.300 16.154 ( 8.159 -25.002 0.000) 26.300 16.838 ( -20.283 0.910 0.000) 20.304 16.838 ( 20.283 0.910 0.000) 20.304 17.071 ( -14.413 -20.166 0.000) 24.787 17.071 ( 14.413 -20.166 0.000) 24.787 18.438 ( -10.621 5.753 0.000) 12.079 18.438 ( 10.621 5.753 0.000) 12.079 18.563 ( -10.907 -7.226 0.000) 13.083 18.563 ( 10.907 -7.226 0.000) 13.083 20.097 ( -3.592 14.525 0.000) 14.962 20.097 ( 3.592 14.525 0.000) 14.962 20.363 ( -5.152 -12.190 0.000) 13.234 20.363 ( 5.152 -12.190 0.000) 13.234 21.771 ( -2.500 8.152 0.000) 8.527 21.771 ( 2.500 8.152 0.000) 8.527 21.921 ( -5.744 -7.263 0.000) 9.260 21.921 ( 5.744 -7.263 0.000) 9.260 23.544 ( -5.335 6.861 0.000) 8.691 23.544 ( 5.335 6.861 0.000) 8.691 23.684 ( -4.836 -7.696 0.000) 9.089 23.684 ( 4.836 -7.696 0.000) 9.089 26.065 ( -1.265 3.117 0.000) 3.364 26.065 ( 1.265 3.117 0.000) 3.364 26.109 ( -1.712 -1.481 0.000) 2.264 26.109 ( 1.712 -1.481 0.000) 2.264 27.402 ( -11.904 7.946 0.000) 14.313 27.402 ( 11.904 7.946 0.000) 14.313 27.512 ( -14.679 -3.391 0.000) 15.066 27.512 ( 14.679 -3.391 0.000) 15.066 28.776 ( -2.312 13.394 0.000) 13.592 28.776 ( 2.312 13.394 0.000) 13.592 28.988 ( -6.387 -9.033 0.000) 11.063 28.988 ( 6.387 -9.033 0.000) 11.063 33.966 ( -1.265 13.292 0.000) 13.352 33.966 ( 1.265 13.292 0.000) 13.352 34.258 ( -0.171 -17.096 0.000) 17.097 34.258 ( 0.171 -17.096 0.000) 17.097 ======================= Grid point 63 (21/80) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 0.000 0.000 46.020) 46.020 0.910 ( 0.000 0.000 46.323) 46.323 1.722 ( 0.000 0.000 86.823) 86.823 3.316 ( 0.000 0.000 0.916) 0.916 3.931 ( 0.000 0.000 -8.944) 8.944 4.137 ( 0.000 0.000 -5.789) 5.789 4.211 ( 0.000 0.000 13.681) 13.681 4.561 ( 0.000 0.000 -3.065) 3.065 5.308 ( 0.000 0.000 0.020) 0.020 5.384 ( 0.000 0.000 14.080) 14.080 5.555 ( 0.000 0.000 11.493) 11.493 6.037 ( 0.000 0.000 -17.677) 17.677 6.091 ( 0.000 0.000 5.222) 5.222 6.480 ( 0.000 0.000 -22.602) 22.602 6.871 ( 0.000 0.000 -3.882) 3.882 7.250 ( 0.000 0.000 19.099) 19.099 7.261 ( 0.000 0.000 1.381) 1.381 7.418 ( 0.000 0.000 -19.363) 19.363 7.495 ( 0.000 0.000 -0.966) 0.966 7.641 ( 0.000 0.000 14.803) 14.803 7.926 ( 0.000 0.000 6.881) 6.881 8.176 ( 0.000 0.000 -37.784) 37.784 8.570 ( 0.000 0.000 -3.003) 3.003 8.773 ( 0.000 0.000 -18.932) 18.932 8.833 ( 0.000 0.000 0.095) 0.095 9.046 ( 0.000 0.000 -1.691) 1.691 9.051 ( 0.000 0.000 -25.814) 25.814 9.153 ( 0.000 0.000 -6.341) 6.341 9.321 ( 0.000 0.000 -6.996) 6.996 9.471 ( 0.000 0.000 19.994) 19.994 9.672 ( 0.000 0.000 5.073) 5.073 9.954 ( 0.000 0.000 7.810) 7.810 9.993 ( 0.000 0.000 23.987) 23.987 10.260 ( 0.000 0.000 8.853) 8.853 10.483 ( 0.000 0.000 16.657) 16.657 10.760 ( 0.000 0.000 -1.068) 1.068 10.863 ( 0.000 0.000 1.435) 1.435 10.961 ( 0.000 0.000 -17.210) 17.210 11.040 ( 0.000 0.000 1.400) 1.400 11.703 ( 0.000 0.000 15.744) 15.744 11.709 ( 0.000 0.000 -2.604) 2.604 12.024 ( 0.000 0.000 -8.383) 8.383 12.402 ( 0.000 0.000 -7.474) 7.474 12.598 ( 0.000 0.000 -0.584) 0.584 12.739 ( 0.000 0.000 -2.756) 2.756 12.887 ( 0.000 0.000 -9.229) 9.229 13.008 ( 0.000 0.000 3.267) 3.267 13.326 ( 0.000 0.000 18.267) 18.267 13.656 ( 0.000 0.000 11.123) 11.123 13.831 ( 0.000 0.000 -0.253) 0.253 14.138 ( 0.000 0.000 -4.374) 4.374 14.378 ( 0.000 0.000 6.315) 6.315 15.256 ( 0.000 0.000 -43.232) 43.232 15.312 ( 0.000 0.000 -4.169) 4.169 15.321 ( 0.000 0.000 12.981) 12.981 16.108 ( 0.000 0.000 -5.581) 5.581 16.394 ( 0.000 0.000 -0.939) 0.939 16.528 ( 0.000 0.000 -0.882) 0.882 17.395 ( 0.000 0.000 -25.571) 25.571 17.474 ( 0.000 0.000 -2.207) 2.207 17.539 ( 0.000 0.000 7.865) 7.865 17.877 ( 0.000 0.000 -3.080) 3.080 17.951 ( 0.000 0.000 43.428) 43.428 18.295 ( 0.000 0.000 -14.931) 14.931 18.448 ( 0.000 0.000 -4.055) 4.055 18.507 ( 0.000 0.000 0.259) 0.259 18.513 ( 0.000 0.000 0.383) 0.383 18.944 ( 0.000 0.000 16.006) 16.006 20.125 ( 0.000 0.000 -0.708) 0.708 20.203 ( 0.000 0.000 -3.358) 3.358 20.415 ( 0.000 0.000 4.235) 4.235 20.612 ( 0.000 0.000 -8.621) 8.621 20.694 ( 0.000 0.000 -0.698) 0.698 21.049 ( 0.000 0.000 11.749) 11.749 21.190 ( 0.000 0.000 -5.133) 5.133 22.425 ( 0.000 0.000 -11.669) 11.669 23.210 ( 0.000 0.000 5.846) 5.846 23.342 ( 0.000 0.000 6.927) 6.927 24.213 ( 0.000 0.000 11.360) 11.360 25.183 ( 0.000 0.000 -7.674) 7.674 25.721 ( 0.000 0.000 7.373) 7.373 26.304 ( 0.000 0.000 -6.700) 6.700 26.460 ( 0.000 0.000 -0.218) 0.218 26.460 ( 0.000 0.000 -0.622) 0.622 26.526 ( 0.000 0.000 1.388) 1.388 26.532 ( 0.000 0.000 2.994) 2.994 26.674 ( 0.000 0.000 -0.705) 0.705 27.094 ( 0.000 0.000 -8.424) 8.424 27.944 ( 0.000 0.000 -1.399) 1.399 28.046 ( 0.000 0.000 -2.735) 2.735 29.532 ( 0.000 0.000 4.648) 4.648 30.249 ( 0.000 0.000 -5.925) 5.925 33.427 ( 0.000 0.000 1.808) 1.808 33.560 ( 0.000 0.000 -0.017) 0.017 34.568 ( 0.000 0.000 9.534) 9.534 35.884 ( 0.000 0.000 -6.524) 6.524 ======================= Grid point 64 (22/80) ======================= q-point: ( 0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 29.948 0.000 32.632) 44.292 1.518 ( 45.804 0.000 25.721) 52.532 2.345 ( 49.470 0.000 52.442) 72.094 3.224 ( -6.181 0.000 -11.552) 13.102 4.017 ( 7.698 0.000 -7.930) 11.052 4.169 ( 2.772 0.000 11.886) 12.205 4.301 ( 5.261 0.000 13.794) 14.764 4.542 ( -2.300 0.000 -2.885) 3.689 5.194 ( -9.765 0.000 -0.162) 9.766 5.306 ( -11.985 0.000 7.174) 13.968 5.509 ( -33.507 0.000 -4.748) 33.842 5.512 ( 5.244 0.000 11.593) 12.724 6.318 ( 9.664 0.000 -1.624) 9.800 6.647 ( 11.778 0.000 -19.738) 22.985 6.819 ( -6.873 0.000 -1.933) 7.139 7.081 ( -9.897 0.000 -0.286) 9.901 7.196 ( -20.812 0.000 -0.718) 20.824 7.313 ( -4.758 0.000 -15.259) 15.983 7.522 ( 18.358 0.000 11.810) 21.829 7.673 ( -3.800 0.000 15.322) 15.786 7.834 ( -13.416 0.000 -34.554) 37.066 8.027 ( 6.488 0.000 5.642) 8.598 8.619 ( 1.949 0.000 -3.764) 4.239 8.716 ( -5.462 0.000 -8.468) 10.077 8.881 ( 1.415 0.000 2.507) 2.879 8.980 ( -11.268 0.000 -7.064) 13.299 9.134 ( -0.507 0.000 -6.782) 6.801 9.268 ( 17.003 0.000 -1.035) 17.034 9.453 ( 8.596 0.000 0.255) 8.600 9.545 ( -8.361 0.000 -4.440) 9.467 9.717 ( 9.377 0.000 2.321) 9.660 9.831 ( -4.086 0.000 9.311) 10.168 10.119 ( 11.132 0.000 14.462) 18.250 10.172 ( -6.337 0.000 4.212) 7.609 10.316 ( -8.147 0.000 16.264) 18.190 10.683 ( -9.248 0.000 -1.843) 9.430 10.982 ( 14.868 0.000 3.070) 15.182 11.044 ( -1.609 0.000 -11.402) 11.515 11.243 ( 13.703 0.000 0.982) 13.738 11.615 ( -10.439 0.000 0.984) 10.485 11.673 ( -4.263 0.000 1.158) 4.417 11.954 ( 3.312 0.000 0.498) 3.350 12.293 ( -12.422 0.000 0.990) 12.462 12.597 ( -0.092 0.000 -1.342) 1.345 12.658 ( -7.561 0.000 -7.582) 10.708 12.719 ( -1.778 0.000 -3.254) 3.708 12.924 ( -0.621 0.000 17.596) 17.607 13.362 ( 7.729 0.000 17.188) 18.846 13.712 ( -7.921 0.000 1.158) 8.005 14.207 ( -10.082 0.000 3.229) 10.587 14.310 ( 8.235 0.000 -1.588) 8.387 14.402 ( 25.878 0.000 -34.548) 43.165 15.264 ( -2.647 0.000 -18.339) 18.529 15.275 ( -3.976 0.000 -5.315) 6.638 15.535 ( 15.649 0.000 3.251) 15.983 15.894 ( -1.659 0.000 -16.074) 16.160 16.377 ( -1.358 0.000 -0.763) 1.558 16.483 ( -3.057 0.000 1.812) 3.554 17.302 ( -12.765 0.000 -41.441) 43.362 17.384 ( -8.933 0.000 -2.797) 9.361 17.655 ( 9.385 0.000 5.321) 10.789 17.885 ( 1.192 0.000 -3.540) 3.735 18.188 ( 13.610 0.000 28.698) 31.762 18.250 ( -1.317 0.000 -8.561) 8.662 18.403 ( -4.102 0.000 -4.934) 6.416 18.510 ( 1.833 0.000 0.622) 1.936 18.555 ( 1.957 0.000 1.613) 2.536 19.317 ( 10.158 0.000 18.721) 21.299 20.110 ( -0.828 0.000 -0.578) 1.010 20.212 ( 0.097 0.000 -1.597) 1.600 20.427 ( 1.378 0.000 2.526) 2.877 20.678 ( -1.480 0.000 -0.842) 1.703 20.705 ( 8.354 0.000 -8.485) 11.907 21.142 ( 7.134 0.000 8.116) 10.806 21.574 ( 23.489 0.000 -31.459) 39.260 22.418 ( -1.030 0.000 -11.249) 11.296 23.207 ( -0.097 0.000 5.979) 5.980 23.331 ( -1.011 0.000 6.813) 6.888 24.246 ( 3.167 0.000 13.210) 13.584 25.032 ( -12.410 0.000 8.362) 14.965 25.746 ( 2.410 0.000 7.504) 7.882 26.199 ( -10.646 0.000 7.669) 13.121 26.431 ( -0.975 0.000 0.081) 0.979 26.444 ( -3.291 0.000 0.965) 3.430 26.484 ( 0.022 0.000 -0.843) 0.844 26.530 ( 1.001 0.000 1.282) 1.627 26.667 ( -0.649 0.000 -0.677) 0.938 26.816 ( -11.586 0.000 6.624) 13.346 27.927 ( -0.288 0.000 0.156) 0.328 28.079 ( 0.192 0.000 1.410) 1.423 28.909 ( -14.382 0.000 27.623) 31.143 30.121 ( -11.830 0.000 -5.736) 13.148 33.441 ( 1.259 0.000 1.813) 2.207 33.568 ( -0.284 0.000 1.061) 1.098 34.758 ( 11.973 0.000 -1.417) 12.056 35.950 ( -2.503 0.000 -12.795) 13.038 ======================= Grid point 65 (23/80) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 30.496 0.000 14.849) 33.919 2.587 ( 50.586 0.000 13.071) 52.247 3.034 ( -12.945 0.000 -19.278) 23.221 3.467 ( 45.969 0.000 14.769) 48.283 4.239 ( 2.194 0.000 22.422) 22.529 4.241 ( 11.131 0.000 -4.493) 12.004 4.387 ( 3.523 0.000 6.654) 7.529 4.460 ( -5.193 0.000 5.124) 7.295 4.682 ( -40.546 0.000 -0.357) 40.547 4.923 ( -14.495 0.000 -1.302) 14.553 5.086 ( -0.869 0.000 18.373) 18.393 5.715 ( 7.472 0.000 -3.051) 8.071 6.521 ( 8.195 0.000 -1.174) 8.279 6.610 ( -8.775 0.000 0.200) 8.777 6.766 ( -15.553 0.000 -1.180) 15.598 6.808 ( -0.881 0.000 -8.704) 8.748 6.906 ( -7.245 0.000 -2.474) 7.656 7.013 ( -22.395 0.000 -15.303) 27.124 7.478 ( 2.961 0.000 -6.928) 7.535 7.911 ( 2.622 0.000 -15.035) 15.262 7.939 ( 18.464 0.000 4.451) 18.993 8.193 ( 9.044 0.000 4.036) 9.904 8.561 ( -7.489 0.000 -3.075) 8.096 8.655 ( 4.232 0.000 3.317) 5.377 8.725 ( -11.849 0.000 -1.869) 11.995 8.874 ( -4.969 0.000 0.483) 4.992 9.088 ( 6.409 0.000 10.721) 12.491 9.205 ( -18.486 0.000 -5.484) 19.282 9.594 ( 11.007 0.000 0.507) 11.018 9.633 ( -12.766 0.000 17.028) 21.282 9.739 ( 18.112 0.000 2.896) 18.342 9.919 ( -0.793 0.000 3.256) 3.351 10.016 ( -7.970 0.000 0.827) 8.013 10.311 ( 10.948 0.000 13.675) 17.518 10.446 ( -12.579 0.000 -1.216) 12.638 10.457 ( 14.358 0.000 -1.296) 14.416 10.815 ( -10.914 0.000 -4.608) 11.846 11.358 ( 17.542 0.000 1.622) 17.617 11.416 ( -22.142 0.000 -5.496) 22.814 11.535 ( 11.192 0.000 0.862) 11.225 11.576 ( 5.395 0.000 -7.824) 9.504 11.951 ( -6.466 0.000 -3.093) 7.168 12.106 ( 3.577 0.000 2.023) 4.109 12.503 ( -9.319 0.000 -20.130) 22.182 12.593 ( -0.178 0.000 -3.850) 3.854 12.666 ( -2.986 0.000 -5.000) 5.824 13.063 ( 11.318 0.000 27.331) 29.582 13.443 ( -1.105 0.000 23.118) 23.145 13.565 ( -4.210 0.000 4.569) 6.213 13.874 ( -16.561 0.000 7.688) 18.258 14.574 ( 13.504 0.000 -6.077) 14.808 14.753 ( 9.658 0.000 -21.842) 23.882 15.108 ( -9.153 0.000 -16.489) 18.859 15.124 ( -9.834 0.000 -7.054) 12.103 15.913 ( 20.021 0.000 3.135) 20.265 16.170 ( 21.271 0.000 -32.838) 39.126 16.358 ( 0.038 0.000 1.338) 1.339 16.424 ( -2.332 0.000 3.460) 4.173 16.919 ( -20.556 0.000 -32.632) 38.567 17.118 ( -16.142 0.000 -17.068) 23.492 17.886 ( 10.991 0.000 1.421) 11.082 17.928 ( 2.801 0.000 -6.263) 6.861 18.122 ( -5.794 0.000 -12.919) 14.159 18.284 ( -6.840 0.000 -4.144) 7.998 18.560 ( 2.288 0.000 1.149) 2.560 18.578 ( 18.035 0.000 38.480) 42.497 18.590 ( 1.099 0.000 2.174) 2.436 19.270 ( -10.438 0.000 34.258) 35.813 20.107 ( 0.774 0.000 0.276) 0.822 20.191 ( -1.965 0.000 0.678) 2.079 20.479 ( 3.267 0.000 -0.230) 3.275 20.630 ( -2.888 0.000 -1.142) 3.106 20.942 ( 12.395 0.000 -8.335) 14.937 21.264 ( 1.933 0.000 -1.709) 2.580 21.951 ( 12.542 0.000 -21.302) 24.719 22.354 ( -5.332 0.000 -9.807) 11.162 23.216 ( 1.071 0.000 6.139) 6.232 23.298 ( -1.945 0.000 6.499) 6.784 24.353 ( 6.589 0.000 15.684) 17.012 24.753 ( -11.937 0.000 19.087) 22.512 25.822 ( 4.283 0.000 5.699) 7.129 26.014 ( -5.461 0.000 6.578) 8.550 26.421 ( 0.089 0.000 0.281) 0.295 26.445 ( 2.323 0.000 -3.684) 4.356 26.464 ( -1.426 0.000 -0.042) 1.427 26.568 ( 2.043 0.000 0.175) 2.050 26.645 ( -1.310 0.000 -0.570) 1.428 26.652 ( -6.003 0.000 1.569) 6.205 27.940 ( 1.390 0.000 2.938) 3.250 28.041 ( -2.719 0.000 7.074) 7.578 28.967 ( 13.183 0.000 3.838) 13.731 29.774 ( -19.072 0.000 -5.539) 19.860 33.477 ( 1.878 0.000 1.842) 2.630 33.550 ( -1.223 0.000 1.749) 2.134 35.059 ( 15.744 0.000 -3.709) 16.175 35.759 ( -13.456 0.000 -8.763) 16.058 ======================= Grid point 66 (24/80) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( -24.598 0.000 -4.965) 25.094 2.622 ( 24.598 0.000 -4.965) 25.094 3.661 ( -47.736 0.000 6.742) 48.210 3.661 ( 47.736 0.000 6.742) 48.210 4.128 ( -16.452 0.000 -0.775) 16.470 4.128 ( 16.452 0.000 -0.775) 16.470 4.393 ( -1.974 0.000 18.237) 18.344 4.393 ( 1.974 0.000 18.237) 18.344 4.593 ( -15.252 0.000 -3.765) 15.710 4.593 ( 15.252 0.000 -3.765) 15.710 5.485 ( -28.286 0.000 4.643) 28.664 5.485 ( 28.286 0.000 4.643) 28.664 6.524 ( -2.600 0.000 -0.190) 2.607 6.524 ( 2.600 0.000 -0.190) 2.607 6.731 ( -4.767 0.000 1.744) 5.076 6.731 ( 4.767 0.000 1.744) 5.076 6.743 ( -7.825 0.000 -2.249) 8.141 6.743 ( 7.825 0.000 -2.249) 8.141 7.726 ( -15.278 0.000 -17.813) 23.467 7.726 ( 15.278 0.000 -17.813) 23.467 8.276 ( -10.823 0.000 -0.870) 10.858 8.276 ( 10.823 0.000 -0.870) 10.858 8.476 ( -9.332 0.000 2.724) 9.721 8.476 ( 9.332 0.000 2.724) 9.721 8.879 ( -7.028 0.000 -2.378) 7.419 8.879 ( 7.028 0.000 -2.378) 7.419 8.999 ( -18.967 0.000 4.210) 19.429 8.999 ( 18.967 0.000 4.210) 19.429 9.641 ( -16.779 0.000 19.305) 25.578 9.641 ( 16.779 0.000 19.305) 25.578 9.814 ( -9.599 0.000 1.465) 9.710 9.814 ( 9.599 0.000 1.465) 9.710 10.133 ( -16.318 0.000 0.022) 16.318 10.133 ( 16.318 0.000 0.022) 16.318 10.592 ( -7.026 0.000 9.429) 11.759 10.592 ( 7.026 0.000 9.429) 11.759 10.881 ( -21.244 0.000 -13.122) 24.969 10.881 ( 21.244 0.000 -13.122) 24.969 11.626 ( -4.608 0.000 1.128) 4.744 11.626 ( 4.608 0.000 1.128) 4.744 11.770 ( -10.241 0.000 -4.322) 11.116 11.770 ( 10.241 0.000 -4.322) 11.116 12.277 ( -10.430 0.000 -14.136) 17.567 12.277 ( 10.430 0.000 -14.136) 17.567 12.606 ( -1.885 0.000 -6.392) 6.664 12.606 ( 1.885 0.000 -6.392) 6.664 13.314 ( -10.064 0.000 27.568) 29.348 13.314 ( 10.064 0.000 27.568) 29.348 13.592 ( -7.617 0.000 8.007) 11.052 13.592 ( 7.617 0.000 8.007) 11.052 14.868 ( -13.221 0.000 -7.296) 15.101 14.868 ( 13.221 0.000 -7.296) 15.101 14.924 ( -7.681 0.000 -16.060) 17.802 14.924 ( 7.681 0.000 -16.060) 17.802 16.380 ( -1.728 0.000 3.032) 3.490 16.380 ( 1.728 0.000 3.032) 3.490 16.383 ( -19.901 0.000 -17.488) 26.493 16.383 ( 19.901 0.000 -17.488) 26.493 16.710 ( -18.546 0.000 -26.666) 32.481 16.710 ( 18.546 0.000 -26.666) 32.481 18.008 ( -4.555 0.000 -9.604) 10.630 18.008 ( 4.555 0.000 -9.604) 10.630 18.108 ( -9.324 0.000 -1.787) 9.494 18.108 ( 9.324 0.000 -1.787) 9.494 18.595 ( -0.728 0.000 1.782) 1.925 18.595 ( 0.728 0.000 1.782) 1.925 18.962 ( -16.810 0.000 39.192) 42.645 18.962 ( 16.810 0.000 39.192) 42.645 20.142 ( -2.205 0.000 1.007) 2.424 20.142 ( 2.205 0.000 1.007) 2.424 20.557 ( -3.682 0.000 -1.198) 3.873 20.557 ( 3.682 0.000 -1.198) 3.873 21.185 ( -8.653 0.000 -7.572) 11.498 21.185 ( 8.653 0.000 -7.572) 11.498 22.188 ( -9.657 0.000 -10.483) 14.253 22.188 ( 9.657 0.000 -10.483) 14.253 23.252 ( -2.095 0.000 6.215) 6.559 23.252 ( 2.095 0.000 6.215) 6.559 24.525 ( -9.220 0.000 17.644) 19.908 24.525 ( 9.220 0.000 17.644) 19.908 25.917 ( -4.252 0.000 3.897) 5.768 25.917 ( 4.252 0.000 3.897) 5.768 26.435 ( -1.089 0.000 0.248) 1.117 26.435 ( 1.089 0.000 0.248) 1.117 26.529 ( -5.129 0.000 -1.724) 5.411 26.529 ( 5.129 0.000 -1.724) 5.411 26.611 ( -1.842 0.000 -0.325) 1.871 26.611 ( 1.842 0.000 -0.325) 1.871 27.983 ( -2.471 0.000 5.940) 6.434 27.983 ( 2.471 0.000 5.940) 6.434 29.341 ( -19.830 0.000 -3.689) 20.170 29.341 ( 19.830 0.000 -3.689) 20.170 33.517 ( -1.753 0.000 1.845) 2.545 33.517 ( 1.753 0.000 1.845) 2.545 35.420 ( -16.916 0.000 -5.876) 17.907 35.420 ( 16.916 0.000 -5.876) 17.907 ======================= Grid point 70 (25/80) ======================= q-point: ( 0.00 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 0.000 41.962 28.299) 50.612 1.562 ( 0.000 33.597 45.037) 56.188 2.496 ( 0.000 78.640 42.961) 89.610 3.374 ( 0.000 7.323 3.117) 7.959 3.776 ( 0.000 -8.085 -13.902) 16.082 4.172 ( 0.000 -3.102 14.997) 15.314 4.326 ( 0.000 10.137 7.351) 12.522 4.608 ( 0.000 5.212 -1.549) 5.437 5.352 ( 0.000 0.903 5.966) 6.034 5.576 ( 0.000 2.520 11.507) 11.780 5.784 ( 0.000 31.638 -14.436) 34.776 6.217 ( 0.000 6.833 -2.829) 7.395 6.436 ( 0.000 34.144 -20.653) 39.905 6.467 ( 0.000 1.556 -10.240) 10.357 7.149 ( 0.000 -10.919 0.103) 10.919 7.292 ( 0.000 -6.812 -15.104) 16.569 7.301 ( 0.000 38.040 -2.647) 38.132 7.415 ( 0.000 11.739 14.208) 18.430 7.452 ( 0.000 1.124 2.774) 2.993 7.612 ( 0.000 -5.197 13.133) 14.124 7.965 ( 0.000 1.846 4.983) 5.314 8.306 ( 0.000 13.123 -34.947) 37.330 8.420 ( 0.000 -12.984 0.248) 12.987 8.561 ( 0.000 -4.338 6.848) 8.106 9.005 ( 0.000 17.243 -7.885) 18.960 9.006 ( 0.000 -5.264 -15.786) 16.640 9.038 ( 0.000 2.281 -20.212) 20.340 9.361 ( 0.000 4.149 2.267) 4.728 9.448 ( 0.000 -7.234 -5.920) 9.348 9.581 ( 0.000 21.702 -7.309) 22.900 9.696 ( 0.000 8.210 13.348) 15.671 9.866 ( 0.000 -4.724 7.523) 8.883 10.092 ( 0.000 13.810 16.915) 21.837 10.333 ( 0.000 0.390 8.412) 8.421 10.541 ( 0.000 9.858 12.275) 15.743 10.673 ( 0.000 -7.379 -10.180) 12.573 10.797 ( 0.000 2.725 11.165) 11.493 10.878 ( 0.000 -5.945 1.578) 6.151 11.161 ( 0.000 10.098 -7.961) 12.859 11.723 ( 0.000 -0.237 13.005) 13.007 11.998 ( 0.000 19.270 -6.839) 20.448 12.020 ( 0.000 1.357 -7.920) 8.035 12.390 ( 0.000 0.615 -1.892) 1.990 12.674 ( 0.000 -20.872 20.844) 29.498 12.698 ( 0.000 6.344 3.694) 7.342 12.914 ( 0.000 0.844 8.430) 8.472 13.061 ( 0.000 4.900 4.838) 6.886 13.069 ( 0.000 5.342 3.023) 6.139 13.380 ( 0.000 7.145 11.645) 13.662 13.869 ( 0.000 0.539 4.542) 4.573 14.092 ( 0.000 -4.689 -4.226) 6.313 14.486 ( 0.000 1.238 -4.338) 4.511 14.646 ( 0.000 -41.557 7.724) 42.269 15.063 ( 0.000 -19.917 10.128) 22.344 15.179 ( 0.000 -11.407 -41.557) 43.094 15.704 ( 0.000 13.025 2.263) 13.220 16.269 ( 0.000 -12.109 -4.986) 13.096 17.382 ( 0.000 -2.515 -16.832) 17.018 17.404 ( 0.000 -12.401 0.424) 12.408 17.479 ( 0.000 -5.611 4.389) 7.123 17.707 ( 0.000 -32.385 0.573) 32.390 17.817 ( 0.000 -7.962 18.286) 19.944 17.982 ( 0.000 9.027 -1.756) 9.196 18.262 ( 0.000 39.512 -29.468) 49.291 18.431 ( 0.000 -4.445 -3.367) 5.576 18.445 ( 0.000 -7.139 0.745) 7.178 18.725 ( 0.000 4.459 -5.873) 7.374 18.966 ( 0.000 3.192 12.327) 12.733 19.990 ( 0.000 -12.627 -0.578) 12.640 20.184 ( 0.000 -4.313 -6.649) 7.926 20.416 ( 0.000 -23.274 -1.715) 23.337 20.416 ( 0.000 -6.889 -19.882) 21.042 20.958 ( 0.000 25.705 -8.040) 26.933 21.188 ( 0.000 17.669 -1.315) 17.718 21.342 ( 0.000 10.766 -3.195) 11.230 22.428 ( 0.000 0.060 -11.295) 11.295 23.217 ( 0.000 0.682 6.061) 6.099 23.396 ( 0.000 5.591 6.073) 8.255 24.183 ( 0.000 -2.970 10.269) 10.690 24.642 ( 0.000 -36.676 22.329) 42.938 25.760 ( 0.000 3.909 6.630) 7.697 26.055 ( 0.000 -10.775 9.788) 14.557 26.219 ( 0.000 -6.051 -3.865) 7.179 26.468 ( 0.000 -1.042 3.140) 3.308 26.532 ( 0.000 3.846 -2.283) 4.473 26.547 ( 0.000 4.623 1.569) 4.882 26.850 ( 0.000 12.902 -1.806) 13.028 27.727 ( 0.000 25.206 -25.486) 35.845 28.049 ( 0.000 10.794 -1.100) 10.849 28.049 ( 0.000 1.184 -0.504) 1.287 29.793 ( 0.000 14.421 -15.060) 20.851 30.184 ( 0.000 -6.598 -5.491) 8.584 33.450 ( 0.000 2.422 1.850) 3.048 33.583 ( 0.000 2.441 0.023) 2.441 34.524 ( 0.000 -4.506 9.123) 10.175 35.274 ( 0.000 -35.829 25.995) 44.266 ======================= Grid point 71 (26/80) ======================= q-point: ( 0.17 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 19.998 30.144 27.449) 45.410 1.904 ( 30.173 25.055 33.937) 51.864 3.006 ( 39.209 62.576 25.139) 78.006 3.293 ( -5.888 8.270 -8.845) 13.465 3.913 ( 10.548 -6.062 -2.419) 12.404 4.228 ( 5.561 0.030 11.018) 12.342 4.353 ( 1.581 6.874 15.619) 17.138 4.573 ( -3.484 4.066 -1.905) 5.683 5.281 ( -9.125 3.798 4.186) 10.734 5.504 ( -2.255 2.216 7.031) 7.709 5.554 ( -14.433 29.378 -2.346) 32.816 5.756 ( -27.419 18.027 1.536) 32.850 6.571 ( 9.328 -6.853 -15.712) 19.515 6.738 ( 13.256 34.287 -10.115) 38.127 6.908 ( -15.623 -4.805 1.217) 16.391 7.112 ( -15.527 -5.197 -8.301) 18.357 7.340 ( -0.092 13.687 -8.249) 15.981 7.383 ( -1.535 27.756 -3.126) 27.974 7.648 ( 10.590 0.504 11.257) 15.463 7.742 ( 15.463 12.877 12.673) 23.781 7.885 ( -19.528 8.737 -26.194) 33.820 8.038 ( -1.124 1.492 -2.632) 3.227 8.446 ( -1.487 -12.261 -5.173) 13.390 8.696 ( 8.937 -1.627 6.712) 11.294 8.877 ( -1.186 -0.187 -5.465) 5.595 9.035 ( -4.957 4.701 -2.010) 7.121 9.202 ( -3.854 8.934 -6.227) 11.552 9.333 ( -4.873 0.433 -9.056) 10.293 9.433 ( 3.599 -0.619 -3.157) 4.827 9.623 ( -2.707 0.456 5.523) 6.167 9.692 ( 10.321 7.863 -2.723) 13.258 9.844 ( -3.727 0.502 5.029) 6.279 10.018 ( -8.459 -1.703 6.477) 10.789 10.325 ( 6.316 11.426 10.767) 16.922 10.442 ( -2.000 -3.207 9.758) 10.465 10.561 ( -7.011 7.965 9.626) 14.327 10.932 ( 11.314 1.723 -4.386) 12.256 11.173 ( 14.071 -5.034 1.119) 14.986 11.226 ( 2.432 11.028 -2.773) 11.628 11.595 ( -7.892 -1.875 -1.119) 8.188 11.856 ( -11.781 8.163 0.162) 14.334 12.018 ( 2.243 6.558 1.054) 7.011 12.290 ( -3.247 5.866 2.930) 7.317 12.645 ( -4.958 2.837 -2.488) 6.231 12.812 ( 1.453 7.099 -2.117) 7.549 12.873 ( -1.866 10.326 4.581) 11.450 12.933 ( -1.007 11.390 3.325) 11.908 13.324 ( 7.295 -3.518 16.020) 17.951 13.657 ( 3.172 -8.411 -3.098) 9.508 13.895 ( 17.103 -16.182 -0.810) 23.559 14.203 ( 1.971 -4.556 -5.401) 7.336 14.432 ( 1.787 -2.330 -5.653) 6.370 14.731 ( 6.499 -39.010 4.796) 39.837 14.991 ( -5.383 -17.869 5.198) 19.372 15.392 ( 16.239 -15.590 -35.813) 42.300 15.776 ( 6.925 11.299 1.094) 13.298 16.283 ( 0.784 -11.510 -6.175) 13.085 16.954 ( -24.389 7.754 -0.806) 25.605 17.267 ( -13.157 -16.939 -0.998) 21.472 17.533 ( 4.545 -8.804 -0.364) 9.915 17.705 ( -6.036 -4.679 -19.670) 21.101 17.843 ( -13.702 9.408 -29.040) 33.460 17.997 ( 1.194 3.858 -2.215) 4.606 18.093 ( 13.880 -6.808 36.389) 39.537 18.387 ( -3.066 -3.491 -0.949) 4.742 18.510 ( 4.639 -2.815 -0.525) 5.451 18.730 ( 0.462 4.863 -5.057) 7.032 19.191 ( 5.722 -7.708 18.288) 20.654 19.940 ( -1.740 -14.082 -1.005) 14.225 20.182 ( -6.441 -12.455 -3.247) 14.393 20.344 ( 6.979 -4.577 -2.106) 8.608 20.601 ( 4.596 -7.111 -8.472) 11.977 20.967 ( 2.701 20.336 -4.380) 20.977 21.223 ( 5.527 9.386 6.934) 12.912 21.637 ( 17.030 5.288 -26.227) 31.715 22.414 ( -1.629 -0.597 -10.689) 10.829 23.216 ( 0.183 0.992 6.125) 6.207 23.382 ( -1.337 5.210 6.157) 8.176 24.204 ( 2.075 -4.217 12.465) 13.322 24.606 ( -3.160 -30.216 20.537) 36.671 25.782 ( 2.068 3.582 6.693) 7.868 26.018 ( -2.754 -7.236 7.733) 10.943 26.217 ( -0.210 -7.041 -3.116) 7.702 26.401 ( -4.084 -2.280 2.622) 5.363 26.551 ( 2.080 5.239 -1.726) 5.895 26.627 ( 5.026 7.347 0.646) 8.925 26.833 ( -1.645 13.169 -1.860) 13.401 27.539 ( -16.149 36.296 -18.405) 43.783 27.977 ( -1.347 4.587 1.203) 4.930 28.144 ( 2.190 7.299 1.159) 7.708 29.110 ( -27.919 17.747 18.240) 37.777 30.061 ( -11.410 -6.094 -5.266) 13.966 33.465 ( 1.308 2.499 1.843) 3.370 33.590 ( -0.183 2.349 1.004) 2.561 34.701 ( 11.293 -5.725 -1.156) 12.714 35.527 ( 10.353 -33.357 2.956) 35.051 ======================= Grid point 72 (27/80) ======================= q-point: ( 0.33 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 25.173 14.195 15.363) 32.730 2.738 ( 41.677 11.527 19.581) 47.469 3.097 ( -10.870 7.352 -18.823) 22.946 3.840 ( 29.054 30.530 9.920) 43.297 4.162 ( 10.482 -1.072 12.456) 16.315 4.381 ( 3.690 3.080 2.612) 5.470 4.405 ( 0.738 8.225 6.577) 10.557 4.432 ( -8.377 0.469 4.914) 9.723 4.970 ( -27.027 24.826 0.120) 36.699 5.139 ( 0.912 21.154 11.473) 24.082 5.276 ( -8.813 22.315 5.029) 24.513 5.720 ( 7.791 1.708 -0.376) 7.985 6.588 ( -9.267 -6.300 -0.487) 11.216 6.637 ( -8.743 -8.343 -0.909) 12.120 6.806 ( -8.036 3.865 -6.601) 11.094 6.969 ( 2.584 30.254 -9.224) 31.734 7.215 ( -14.812 23.072 -19.588) 33.696 7.344 ( -3.490 42.965 -2.890) 43.204 7.485 ( 0.487 2.219 -5.205) 5.679 7.866 ( 5.665 -3.494 -6.922) 9.603 8.143 ( 11.981 8.106 2.360) 14.657 8.197 ( 17.132 10.587 3.285) 20.406 8.372 ( -1.652 -15.106 0.836) 15.219 8.772 ( -8.186 -4.118 0.914) 9.209 8.818 ( -2.482 14.603 -1.615) 14.901 8.927 ( -4.533 2.078 3.895) 6.328 8.981 ( -8.156 -3.741 1.034) 9.033 9.178 ( -10.148 -0.511 -4.824) 11.247 9.456 ( -7.902 -2.811 5.045) 9.787 9.515 ( 2.037 -12.445 12.243) 17.576 9.676 ( 1.592 -5.012 5.211) 7.404 9.924 ( -0.672 0.700 4.450) 4.555 10.098 ( 9.689 3.108 -6.769) 12.221 10.318 ( -6.347 3.915 7.688) 10.710 10.490 ( 1.799 8.420 10.668) 13.710 10.613 ( 10.126 7.733 0.540) 12.753 10.872 ( -3.483 5.957 -2.024) 7.191 11.354 ( -12.598 -4.648 -3.714) 13.932 11.432 ( 11.175 2.732 -1.423) 11.591 11.533 ( 4.247 5.312 1.742) 7.021 11.679 ( 7.126 7.811 -10.119) 14.635 12.080 ( 3.132 6.183 -4.596) 8.316 12.188 ( -6.217 16.427 4.306) 18.084 12.473 ( -9.579 -0.600 -16.285) 18.903 12.786 ( -0.416 13.335 -6.248) 14.732 12.875 ( -2.540 20.603 -4.982) 21.348 13.024 ( 8.958 -3.115 22.803) 24.697 13.357 ( -3.656 -7.193 20.423) 21.959 13.607 ( -0.983 4.081 6.706) 7.911 13.919 ( -12.374 3.797 9.211) 15.886 14.397 ( 14.885 -20.176 -17.210) 30.411 14.642 ( 10.873 -11.845 -10.789) 19.363 14.802 ( -2.666 -19.861 -4.495) 20.537 14.901 ( -1.805 -22.475 -2.714) 22.710 15.723 ( 13.563 -18.347 -24.533) 33.503 16.027 ( 13.895 -1.792 -3.938) 14.552 16.234 ( -6.006 -12.436 -5.875) 15.008 16.657 ( 0.545 12.208 -4.656) 13.077 16.892 ( -19.491 -13.269 -0.353) 23.581 17.352 ( -19.638 20.700 -37.165) 46.855 17.642 ( 4.719 -16.096 -8.689) 18.891 17.757 ( -1.126 -18.966 -10.518) 21.716 18.043 ( 3.687 -3.330 3.107) 5.860 18.290 ( -5.354 -3.289 2.540) 6.778 18.457 ( 17.125 -10.588 35.434) 40.755 18.625 ( 5.447 4.507 -0.854) 7.121 18.737 ( -0.196 5.720 -3.420) 6.667 19.127 ( -9.786 -9.950 29.167) 32.334 19.948 ( 1.961 -14.009 -0.704) 14.163 20.064 ( -3.964 -13.578 0.264) 14.147 20.482 ( 4.705 0.550 -1.153) 4.875 20.621 ( -1.646 -0.585 -2.835) 3.330 21.098 ( 8.789 13.091 -5.093) 16.570 21.343 ( 2.816 7.083 0.322) 7.629 21.930 ( 10.979 -1.727 -18.401) 21.497 22.336 ( -5.987 -1.910 -8.928) 10.918 23.234 ( 1.561 1.856 6.098) 6.562 23.339 ( -2.475 4.207 6.187) 7.880 24.278 ( 4.687 -7.180 14.604) 16.935 24.515 ( -5.061 -19.405 17.269) 26.465 25.843 ( 3.258 2.334 5.505) 6.810 25.961 ( -2.328 -2.797 4.026) 5.427 26.217 ( 0.482 -7.946 -1.456) 8.093 26.317 ( -3.642 -4.692 2.109) 6.303 26.613 ( 3.510 7.541 -1.678) 8.486 26.749 ( 5.827 14.009 -1.348) 15.232 26.780 ( -2.594 12.711 -1.453) 13.055 27.178 ( -14.621 34.130 -6.475) 37.690 27.981 ( 1.454 4.304 3.665) 5.837 28.114 ( -3.650 8.117 7.870) 11.880 28.980 ( 9.487 1.443 4.040) 10.412 29.727 ( -18.398 -4.852 -5.062) 19.688 33.501 ( 1.914 2.613 1.843) 3.727 33.574 ( -1.150 2.553 1.692) 3.272 34.979 ( 14.196 -8.058 -3.298) 16.653 35.540 ( -7.313 -20.413 -4.995) 22.252 ======================= Grid point 73 (28/80) ======================= q-point: (-0.50 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( -22.469 5.906 -1.241) 23.265 2.665 ( 22.469 5.906 -1.241) 23.265 3.738 ( -42.600 6.102 6.145) 43.471 3.738 ( 42.600 6.102 6.145) 43.471 4.239 ( -9.814 8.222 1.715) 12.917 4.239 ( 9.814 8.222 1.715) 12.917 4.386 ( -3.319 1.026 15.804) 16.182 4.386 ( 3.319 1.026 15.804) 16.182 4.920 ( -13.077 31.757 -2.050) 34.406 4.920 ( 13.077 31.757 -2.050) 34.406 5.635 ( -21.133 15.800 -0.183) 26.387 5.635 ( 21.133 15.800 -0.183) 26.387 6.491 ( -1.607 -4.844 0.848) 5.173 6.491 ( 1.607 -4.844 0.848) 5.173 6.718 ( -4.661 4.544 -0.920) 6.574 6.718 ( 4.661 4.544 -0.920) 6.574 7.240 ( -6.051 43.823 -2.862) 44.332 7.240 ( 6.051 43.823 -2.862) 44.332 7.716 ( -14.870 0.599 -14.203) 20.572 7.716 ( 14.870 0.599 -14.203) 20.572 8.352 ( -7.312 -3.945 0.807) 8.347 8.352 ( 7.312 -3.945 0.807) 8.347 8.592 ( -15.901 21.313 0.787) 26.603 8.592 ( 15.901 21.313 0.787) 26.603 8.775 ( -11.579 -18.316 2.469) 21.810 8.775 ( 11.579 -18.316 2.469) 21.810 8.934 ( -10.501 2.693 -2.509) 11.127 8.934 ( 10.501 2.693 -2.509) 11.127 9.475 ( -5.588 -11.701 12.286) 17.863 9.475 ( 5.588 -11.701 12.286) 17.863 9.847 ( -10.260 -1.385 6.568) 12.261 9.847 ( 10.260 -1.385 6.568) 12.261 10.121 ( -5.547 4.550 2.639) 7.644 10.121 ( 5.547 4.550 2.639) 7.644 10.738 ( -8.525 7.477 13.753) 17.826 10.738 ( 8.525 7.477 13.753) 17.826 10.928 ( -14.303 5.708 -15.749) 22.027 10.928 ( 14.303 5.708 -15.749) 22.027 11.605 ( -3.636 -0.508 -0.955) 3.793 11.605 ( 3.636 -0.508 -0.955) 3.793 11.933 ( -12.743 15.156 -6.888) 20.965 11.933 ( 12.743 15.156 -6.888) 20.965 12.261 ( -9.341 1.263 -8.916) 12.975 12.261 ( 9.341 1.263 -8.916) 12.975 12.811 ( -2.687 17.600 -7.761) 19.422 12.811 ( 2.687 17.600 -7.761) 19.422 13.214 ( -8.294 -8.058 22.236) 25.063 13.214 ( 8.294 -8.058 22.236) 25.063 13.684 ( -8.067 7.576 12.412) 16.629 13.684 ( 8.067 7.576 12.412) 16.629 14.657 ( -8.895 -18.253 -11.318) 23.247 14.657 ( 8.895 -18.253 -11.318) 23.247 14.828 ( -5.454 -12.563 -9.245) 16.524 14.828 ( 5.454 -12.563 -9.245) 16.524 15.988 ( -10.383 -21.095 -16.121) 28.508 15.988 ( 10.383 -21.095 -16.121) 28.508 16.435 ( -18.649 -6.907 6.120) 20.808 16.435 ( 18.649 -6.907 6.120) 20.808 16.930 ( -17.957 14.474 -28.287) 36.498 16.930 ( 17.957 14.474 -28.287) 36.498 17.720 ( -2.498 -18.286 -11.609) 21.803 17.720 ( 2.498 -18.286 -11.609) 21.803 18.157 ( -6.297 -3.474 4.567) 8.519 18.157 ( 6.297 -3.474 4.567) 8.519 18.705 ( -3.172 4.133 -0.476) 5.232 18.705 ( 3.172 4.133 -0.476) 5.232 18.838 ( -15.597 -8.117 33.129) 37.506 18.838 ( 15.597 -8.117 33.129) 37.506 19.999 ( -2.488 -12.989 -0.066) 13.226 19.999 ( 2.488 -12.989 -0.066) 13.226 20.563 ( -3.239 0.969 -1.085) 3.550 20.563 ( 3.239 0.969 -1.085) 3.550 21.289 ( -7.143 8.864 -5.253) 12.537 21.289 ( 7.143 8.864 -5.253) 12.537 22.158 ( -9.951 -2.813 -9.071) 13.756 22.158 ( 9.951 -2.813 -9.071) 13.756 23.282 ( -2.649 2.994 6.062) 7.261 23.282 ( 2.649 2.994 6.062) 7.261 24.395 ( -5.785 -11.808 15.416) 20.262 24.395 ( 5.785 -11.808 15.416) 20.262 25.910 ( -2.685 0.056 3.365) 4.305 25.910 ( 2.685 0.056 3.365) 4.305 26.248 ( -2.472 -7.118 0.858) 7.584 26.248 ( 2.472 -7.118 0.858) 7.584 26.696 ( -3.981 10.371 -1.816) 11.256 26.696 ( 3.981 10.371 -1.816) 11.256 26.922 ( -9.429 23.014 -2.803) 25.028 26.922 ( 9.429 23.014 -2.803) 25.028 28.034 ( -3.297 5.737 6.606) 9.350 28.034 ( 3.297 5.737 6.606) 9.350 29.311 ( -18.746 -2.983 -3.313) 19.269 29.311 ( 18.746 -2.983 -3.313) 19.269 33.542 ( -1.740 2.650 1.818) 3.654 33.542 ( 1.740 2.650 1.818) 3.654 35.293 ( -14.034 -12.458 -4.701) 19.346 35.293 ( 14.034 -12.458 -4.701) 19.346 ======================= Grid point 77 (29/80) ======================= q-point: ( 0.00 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 0.000 34.323 37.111) 50.550 2.311 ( 0.000 51.274 13.681) 53.068 3.601 ( 0.000 17.349 2.665) 17.552 3.682 ( 0.000 -1.988 -10.193) 10.385 3.968 ( 0.000 28.221 14.517) 31.736 4.243 ( 0.000 45.702 17.492) 48.935 4.439 ( 0.000 2.324 10.105) 10.369 4.748 ( 0.000 8.537 7.006) 11.043 5.450 ( 0.000 6.678 1.030) 6.757 5.650 ( 0.000 5.652 8.202) 9.961 6.126 ( 0.000 -7.740 -13.256) 15.350 6.433 ( 0.000 23.324 -5.503) 23.964 6.486 ( 0.000 4.369 6.375) 7.729 6.888 ( 0.000 -15.027 0.064) 15.027 7.045 ( 0.000 13.762 -20.932) 25.051 7.264 ( 0.000 -13.612 -0.721) 13.631 7.320 ( 0.000 9.208 -17.367) 19.656 7.372 ( 0.000 -2.042 1.579) 2.581 7.688 ( 0.000 10.602 10.735) 15.087 7.902 ( 0.000 -10.092 0.074) 10.092 8.148 ( 0.000 30.348 7.854) 31.348 8.459 ( 0.000 -3.804 10.680) 11.338 8.664 ( 0.000 19.626 -23.757) 30.815 8.745 ( 0.000 38.489 8.878) 39.499 8.912 ( 0.000 10.132 -13.333) 16.746 8.981 ( 0.000 -16.587 -10.535) 19.650 9.254 ( 0.000 22.374 -21.119) 30.767 9.452 ( 0.000 5.077 -9.970) 11.188 9.592 ( 0.000 8.716 -1.372) 8.823 9.762 ( 0.000 20.455 10.652) 23.062 9.762 ( 0.000 1.707 6.625) 6.842 10.082 ( 0.000 13.991 12.951) 19.065 10.415 ( 0.000 -10.793 -6.679) 12.692 10.477 ( 0.000 23.953 7.601) 25.130 10.618 ( 0.000 27.729 -10.230) 29.556 10.858 ( 0.000 22.247 7.702) 23.543 10.881 ( 0.000 6.566 -0.309) 6.573 10.977 ( 0.000 12.719 13.142) 18.289 11.370 ( 0.000 11.439 -6.197) 13.009 11.666 ( 0.000 -4.001 3.902) 5.589 12.102 ( 0.000 5.985 -1.651) 6.209 12.172 ( 0.000 -3.546 9.436) 10.080 12.376 ( 0.000 -4.298 2.791) 5.125 12.428 ( 0.000 2.983 6.245) 6.921 12.763 ( 0.000 0.742 15.831) 15.849 13.008 ( 0.000 3.153 1.738) 3.600 13.150 ( 0.000 -0.693 -2.680) 2.768 13.478 ( 0.000 29.674 -7.371) 30.576 13.497 ( 0.000 -14.772 5.898) 15.906 13.911 ( 0.000 -13.189 6.004) 14.492 13.919 ( 0.000 5.415 7.676) 9.393 13.972 ( 0.000 -6.247 -1.106) 6.344 14.387 ( 0.000 -11.131 -2.928) 11.510 14.847 ( 0.000 -4.980 -6.016) 7.810 14.910 ( 0.000 -16.834 -32.232) 36.363 15.796 ( 0.000 -6.230 -6.242) 8.819 16.002 ( 0.000 -11.983 -2.658) 12.274 16.719 ( 0.000 -47.169 0.360) 47.171 17.212 ( 0.000 -16.448 -1.217) 16.493 17.299 ( 0.000 -22.858 -2.087) 22.953 17.357 ( 0.000 -6.593 1.071) 6.680 17.529 ( 0.000 -18.939 30.744) 36.110 18.111 ( 0.000 -9.648 -4.171) 10.511 18.249 ( 0.000 -13.633 -1.735) 13.743 18.255 ( 0.000 0.149 0.868) 0.881 18.635 ( 0.000 6.164 -11.094) 12.692 18.722 ( 0.000 1.435 -8.579) 8.698 19.089 ( 0.000 9.031 5.800) 10.733 19.726 ( 0.000 -12.892 -0.302) 12.896 19.932 ( 0.000 -24.690 -1.740) 24.751 20.067 ( 0.000 -23.947 -9.855) 25.895 20.173 ( 0.000 0.835 -6.705) 6.756 21.365 ( 0.000 18.687 0.048) 18.687 21.523 ( 0.000 12.268 -14.170) 18.743 21.524 ( 0.000 7.760 -1.201) 7.853 22.413 ( 0.000 -1.897 -9.847) 10.028 23.239 ( 0.000 1.807 6.443) 6.692 23.531 ( 0.000 7.403 3.794) 8.318 24.105 ( 0.000 -20.360 19.420) 28.136 24.107 ( 0.000 -4.685 7.898) 9.183 25.859 ( 0.000 5.926 4.550) 7.471 25.987 ( 0.000 1.298 4.379) 4.567 26.131 ( 0.000 -2.842 -1.656) 3.289 26.440 ( 0.000 -1.852 2.826) 3.379 26.634 ( 0.000 5.795 -2.997) 6.524 26.642 ( 0.000 4.764 0.241) 4.770 27.090 ( 0.000 11.626 -3.114) 12.036 27.906 ( 0.000 -2.478 -10.211) 10.507 28.260 ( 0.000 19.550 -5.667) 20.355 28.344 ( 0.000 19.140 -1.199) 19.178 29.914 ( 0.000 -0.668 -11.760) 11.779 30.006 ( 0.000 -11.575 -4.211) 12.317 33.521 ( 0.000 5.019 1.957) 5.387 33.655 ( 0.000 5.082 0.136) 5.083 34.402 ( 0.000 -7.980 8.129) 11.391 34.774 ( 0.000 -19.066 17.674) 25.998 ======================= Grid point 78 (30/80) ======================= q-point: ( 0.17 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 8.687 35.417 31.483) 48.177 2.476 ( 17.587 38.518 16.267) 45.360 3.490 ( -6.958 12.465 -8.532) 16.631 3.852 ( 11.426 1.228 2.636) 11.791 4.041 ( 6.134 11.665 13.696) 19.007 4.428 ( 2.490 8.356 6.759) 11.032 4.496 ( 14.857 39.454 8.130) 42.935 4.718 ( -2.417 11.307 6.196) 13.118 5.475 ( 2.115 14.308 4.018) 15.012 5.565 ( -2.539 5.897 7.253) 9.686 6.016 ( -21.069 7.959 0.294) 22.524 6.264 ( -11.991 42.804 0.728) 44.458 6.357 ( 3.165 -14.255 -5.696) 15.674 6.737 ( -11.208 -10.571 2.301) 15.578 7.018 ( -14.281 -4.131 -8.468) 17.109 7.222 ( 10.431 0.068 -12.084) 15.963 7.348 ( 5.911 -13.829 0.690) 15.055 7.572 ( 11.278 17.083 -9.825) 22.706 7.840 ( 4.672 0.901 -7.241) 8.665 8.046 ( 13.717 2.365 3.397) 14.328 8.217 ( 2.328 26.998 0.540) 27.103 8.341 ( -16.252 24.921 -19.231) 35.426 8.565 ( 0.457 -17.217 4.525) 17.807 8.691 ( -0.273 18.891 4.109) 19.334 8.771 ( -4.333 36.038 -2.828) 36.408 9.145 ( -0.279 -7.545 -11.799) 14.008 9.273 ( 2.077 8.216 -9.984) 13.095 9.408 ( -7.626 2.397 5.750) 9.847 9.594 ( -5.581 17.983 7.179) 20.152 9.666 ( 6.410 14.126 -7.139) 17.076 9.898 ( 0.278 9.263 8.683) 12.699 10.005 ( -13.118 4.612 1.103) 13.949 10.114 ( -5.189 18.631 -0.846) 19.359 10.356 ( -5.739 7.295 7.425) 11.886 10.657 ( -0.893 20.438 11.231) 23.338 10.845 ( 3.598 15.244 6.373) 16.910 11.059 ( -0.076 9.977 -5.076) 11.194 11.121 ( 11.161 1.357 2.343) 11.484 11.420 ( -1.661 7.880 -6.887) 10.596 11.608 ( 7.245 6.608 0.572) 9.823 11.912 ( -12.875 1.717 2.739) 13.274 12.158 ( 1.433 6.959 0.931) 7.165 12.408 ( 5.236 2.566 7.975) 9.879 12.684 ( 9.761 -5.162 18.731) 21.743 12.884 ( 4.220 8.272 -13.589) 16.459 12.926 ( -5.679 -2.275 -5.785) 8.420 13.268 ( 12.802 1.966 8.111) 15.282 13.421 ( -4.308 20.286 -1.840) 20.820 13.548 ( 2.081 -2.669 -3.257) 4.697 13.798 ( -0.949 -13.958 5.407) 14.998 13.983 ( 4.245 -12.820 7.714) 15.552 14.085 ( 2.731 -7.450 -1.641) 8.103 14.317 ( -2.606 -9.206 1.837) 9.743 14.806 ( -4.225 -3.773 -3.038) 6.428 15.073 ( 12.961 -18.504 -30.734) 38.144 15.820 ( 2.020 -10.202 -12.957) 16.615 16.062 ( 4.291 -7.765 -2.590) 9.242 16.641 ( -6.978 -41.089 -1.188) 41.694 16.929 ( -16.536 -8.671 10.045) 21.202 17.289 ( -1.397 -23.001 -5.231) 23.630 17.361 ( 2.151 -16.224 0.506) 16.374 17.729 ( 7.201 -17.675 14.536) 23.991 17.972 ( -5.188 -8.231 -0.284) 9.734 18.191 ( -2.913 -15.271 4.001) 16.053 18.323 ( -12.708 9.021 -8.140) 17.582 18.510 ( 5.061 5.191 -6.786) 9.931 18.689 ( -1.207 -4.129 -5.541) 7.014 19.138 ( 0.606 1.978 8.801) 9.040 19.683 ( -1.389 -10.937 -0.507) 11.036 19.791 ( -4.125 -22.722 -0.429) 23.098 20.281 ( 10.585 -9.827 -6.666) 15.908 20.379 ( 13.382 -7.630 -3.741) 15.852 21.337 ( -1.258 17.614 -1.424) 17.716 21.449 ( 0.625 11.439 2.101) 11.647 21.725 ( 9.204 3.316 -15.134) 18.021 22.386 ( -2.766 -2.589 -8.999) 9.764 23.248 ( 0.932 2.343 6.301) 6.787 23.510 ( -1.972 7.287 4.223) 8.650 24.078 ( -0.193 -11.637 15.999) 19.785 24.152 ( 1.788 -13.727 10.005) 17.080 25.872 ( 1.252 5.391 4.792) 7.321 25.974 ( -0.975 1.534 3.382) 3.839 26.127 ( -0.333 -2.594 -1.528) 3.029 26.364 ( -5.028 -1.744 2.641) 5.941 26.673 ( 3.750 6.797 -2.035) 8.026 26.759 ( 8.611 5.827 -0.975) 10.443 27.090 ( -0.442 12.816 -3.422) 13.272 27.879 ( -3.812 1.141 -12.994) 13.590 28.208 ( -3.920 20.580 -2.884) 21.147 28.370 ( 1.760 15.601 -0.218) 15.701 29.411 ( -32.064 10.654 4.408) 34.074 29.897 ( -10.260 -10.644 -3.879) 15.285 33.539 ( 1.499 5.217 1.929) 5.761 33.661 ( 0.035 5.126 0.928) 5.209 34.547 ( 9.594 -10.111 -0.212) 13.940 34.945 ( 11.474 -25.577 10.549) 29.952 ======================= Grid point 79 (31/80) ======================= q-point: ( 0.33 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 13.514 27.275 18.396) 35.566 3.005 ( 22.301 17.276 18.151) 33.544 3.322 ( -2.147 15.306 -9.945) 18.379 4.102 ( 10.819 1.874 6.852) 12.942 4.226 ( 9.446 4.884 11.115) 15.383 4.377 ( -7.495 -1.721 7.251) 10.569 4.586 ( -8.846 9.601 -1.312) 13.121 4.702 ( -4.950 18.784 3.091) 19.669 5.469 ( -6.570 23.869 3.515) 25.005 5.656 ( 12.195 27.089 5.871) 30.283 5.752 ( 4.875 2.184 4.319) 6.870 6.019 ( -10.025 44.391 1.153) 45.523 6.431 ( 4.740 2.676 2.550) 6.010 6.500 ( -8.411 -6.989 2.277) 11.170 6.760 ( -8.297 -5.926 -8.019) 12.972 7.442 ( 9.942 0.961 -9.325) 13.664 7.569 ( 8.933 -0.129 -1.478) 9.055 7.650 ( -20.774 16.214 -33.866) 42.912 7.836 ( 13.482 8.879 -7.919) 17.981 8.073 ( 5.974 5.867 -5.203) 9.858 8.252 ( 0.929 18.085 4.990) 18.784 8.420 ( -0.250 15.481 0.691) 15.498 8.509 ( -2.420 -4.313 -6.102) 7.854 8.602 ( -12.363 -6.253 -0.390) 13.860 8.755 ( 6.567 36.946 11.664) 39.296 9.006 ( -4.187 16.571 5.715) 18.021 9.233 ( -3.761 6.856 -7.276) 10.681 9.332 ( -3.254 -2.947 2.039) 4.840 9.488 ( -11.887 12.724 7.552) 18.980 9.549 ( -12.485 10.531 -3.179) 16.640 9.669 ( 0.319 23.990 8.817) 25.561 9.899 ( -0.149 -2.332 6.516) 6.923 10.227 ( -1.068 9.524 -2.068) 9.804 10.420 ( 13.833 5.793 11.185) 18.709 10.605 ( -12.873 4.590 5.706) 14.810 10.794 ( 3.606 12.355 4.537) 13.647 11.029 ( 3.855 8.773 2.361) 9.869 11.225 ( -5.971 -5.871 -2.033) 8.618 11.513 ( 6.037 6.914 -4.424) 10.189 11.725 ( -0.034 12.111 -3.118) 12.505 11.857 ( 11.154 9.501 -11.171) 18.425 12.244 ( 6.627 13.491 2.863) 15.301 12.486 ( -2.685 3.271 -1.333) 4.437 12.602 ( -9.381 16.706 -2.935) 19.383 12.863 ( 2.410 -4.890 8.732) 10.294 13.033 ( 4.841 -0.893 -1.707) 5.210 13.277 ( -7.827 12.720 5.892) 16.055 13.351 ( -4.785 15.608 -3.038) 16.605 13.698 ( 7.782 1.004 8.442) 11.525 13.932 ( 5.932 -21.118 -13.494) 25.754 13.993 ( 1.894 -1.202 7.724) 8.043 14.166 ( 8.563 -28.957 3.773) 30.431 14.369 ( 3.929 -18.611 2.188) 19.146 14.673 ( -7.799 -5.513 -6.012) 11.285 15.354 ( 11.973 -19.306 -21.448) 31.243 15.825 ( -4.798 -17.925 -22.705) 29.323 16.125 ( 2.469 -2.153 1.600) 3.646 16.439 ( -10.512 -27.812 -0.826) 29.744 16.766 ( 4.850 -2.884 2.884) 6.337 17.284 ( 0.951 -22.873 -8.079) 24.276 17.372 ( -2.985 -22.315 -6.389) 23.403 17.588 ( -16.805 -0.897 -15.840) 23.111 17.899 ( -1.309 -11.408 1.438) 11.572 18.100 ( -5.166 -16.100 6.423) 18.087 18.284 ( 11.107 -4.835 20.740) 24.018 18.651 ( -2.604 -9.459 0.780) 9.842 18.673 ( 6.882 -1.647 -3.152) 7.747 19.038 ( -9.112 -1.840 13.034) 16.009 19.713 ( 3.818 -7.687 -2.409) 8.915 19.781 ( 1.568 -11.124 0.201) 11.236 20.477 ( 6.664 -3.765 -4.353) 8.805 20.569 ( 3.691 -2.826 -0.684) 4.698 21.360 ( 3.616 13.385 -1.517) 13.947 21.498 ( 1.898 8.186 1.525) 8.540 21.899 ( 7.718 -1.429 -11.364) 13.811 22.282 ( -6.997 -3.739 -6.864) 10.490 23.287 ( 2.725 3.606 5.889) 7.424 23.447 ( -3.680 6.475 5.097) 9.025 24.099 ( 1.930 -11.690 14.303) 18.573 24.171 ( -0.183 -14.009 9.130) 16.723 25.908 ( 1.753 4.083 4.172) 6.095 25.955 ( -0.737 2.102 1.951) 2.961 26.125 ( 0.561 -2.300 -0.549) 2.430 26.257 ( -4.734 -2.050 2.599) 5.776 26.785 ( 6.322 9.652 -2.230) 11.751 26.985 ( 12.062 9.480 -2.859) 15.606 27.049 ( -3.549 14.324 -3.467) 15.159 27.663 ( -15.957 12.751 -13.521) 24.495 28.157 ( 0.419 15.769 4.194) 16.323 28.350 ( -4.873 15.414 6.664) 17.486 29.023 ( -0.379 2.913 4.336) 5.238 29.597 ( -16.449 -8.393 -3.705) 18.835 33.579 ( 2.077 5.584 1.842) 6.236 33.651 ( -0.928 5.518 1.597) 5.819 34.768 ( 10.630 -13.381 -2.317) 17.246 35.085 ( 0.245 -24.815 0.510) 24.822 ======================= Grid point 80 (32/80) ======================= q-point: (-0.50 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.882 ( -15.913 16.372 7.328) 23.978 2.882 ( 15.913 16.372 7.328) 23.978 3.873 ( -33.077 7.876 4.355) 34.279 3.873 ( 33.077 7.876 4.355) 34.279 4.333 ( -10.840 1.754 1.977) 11.158 4.333 ( 10.840 1.754 1.977) 11.158 4.495 ( -11.239 10.396 12.401) 19.702 4.495 ( 11.239 10.396 12.401) 19.702 5.589 ( -12.466 32.846 3.238) 35.281 5.589 ( 12.466 32.846 3.238) 35.281 5.904 ( -4.790 2.663 0.011) 5.481 5.904 ( 4.790 2.663 0.011) 5.481 6.449 ( -4.285 -0.118 0.548) 4.322 6.449 ( 4.285 -0.118 0.548) 4.322 6.992 ( -29.341 29.721 -14.518) 44.215 6.992 ( 29.341 29.721 -14.518) 44.215 7.696 ( -9.104 5.810 -11.513) 15.786 7.696 ( 9.104 5.810 -11.513) 15.786 8.114 ( -9.567 -19.247 2.405) 21.627 8.114 ( 9.567 -19.247 2.405) 21.627 8.299 ( -8.230 34.696 -0.663) 35.665 8.299 ( 8.230 34.696 -0.663) 35.665 8.380 ( -1.032 0.035 0.766) 1.286 8.380 ( 1.032 0.035 0.766) 1.286 8.982 ( -6.601 9.400 -4.591) 12.370 8.982 ( 6.601 9.400 -4.591) 12.370 9.229 ( -9.058 28.094 3.652) 29.743 9.229 ( 9.058 28.094 3.652) 29.743 9.313 ( -2.517 0.793 6.450) 6.969 9.313 ( 2.517 0.793 6.450) 6.969 9.841 ( -7.453 3.580 6.536) 10.540 9.841 ( 7.453 3.580 6.536) 10.540 10.246 ( -8.769 6.907 5.128) 12.284 10.246 ( 8.769 6.907 5.128) 12.284 10.812 ( -12.619 1.593 14.306) 19.143 10.812 ( 12.619 1.593 14.306) 19.143 11.069 ( -5.476 8.391 -10.125) 14.245 11.069 ( 5.476 8.391 -10.125) 14.245 11.652 ( -5.781 6.288 -3.116) 9.092 11.652 ( 5.781 6.288 -3.116) 9.092 12.172 ( -15.043 6.683 -16.263) 23.140 12.172 ( 15.043 6.683 -16.263) 23.140 12.469 ( -7.234 19.885 5.263) 21.805 12.469 ( 7.234 19.885 5.263) 21.805 12.977 ( -7.529 -7.943 7.399) 13.211 12.977 ( 7.529 -7.943 7.399) 13.211 13.241 ( -4.013 16.451 -1.905) 17.040 13.241 ( 4.013 16.451 -1.905) 17.040 13.829 ( -5.835 5.200 12.027) 14.344 13.829 ( 5.835 5.200 12.027) 14.344 14.226 ( -6.396 -26.624 -6.029) 28.038 14.226 ( 6.396 -26.624 -6.029) 28.038 14.486 ( -8.472 -17.007 -4.559) 19.540 14.486 ( 8.472 -17.007 -4.559) 19.540 15.610 ( -12.092 -18.253 -17.963) 28.321 15.610 ( 12.092 -18.253 -17.963) 28.321 16.237 ( -7.569 -12.386 1.281) 14.572 16.237 ( 7.569 -12.386 1.281) 14.572 17.063 ( -18.918 -3.833 -14.745) 24.290 17.063 ( 18.918 -3.833 -14.745) 24.290 17.363 ( -4.481 -18.550 -9.632) 21.377 17.363 ( 4.481 -18.550 -9.632) 21.377 17.971 ( -5.954 -15.673 7.184) 18.240 17.971 ( 5.954 -15.673 7.184) 18.240 18.534 ( -9.123 -11.708 14.229) 20.562 18.534 ( 9.123 -11.708 14.229) 20.562 18.828 ( -8.487 -2.084 5.200) 10.169 18.828 ( 8.487 -2.084 5.200) 10.169 19.788 ( -1.833 -5.408 -1.803) 5.988 19.788 ( 1.833 -5.408 -1.803) 5.988 20.572 ( -2.447 -0.633 -1.327) 2.855 20.572 ( 2.447 -0.633 -1.327) 2.855 21.465 ( -4.600 8.802 -1.734) 10.082 21.465 ( 4.600 8.802 -1.734) 10.082 22.093 ( -9.737 -3.700 -6.031) 12.036 22.093 ( 9.737 -3.700 -6.031) 12.036 23.361 ( -3.947 5.075 5.546) 8.491 23.361 ( 3.947 5.075 5.546) 8.491 24.146 ( -1.977 -12.887 11.128) 17.141 24.146 ( 1.977 -12.887 11.128) 17.141 25.938 ( -0.998 2.833 2.189) 3.716 25.938 ( 0.998 2.833 2.189) 3.716 26.167 ( -3.284 -2.155 1.629) 4.253 26.167 ( 3.284 -2.155 1.629) 4.253 26.931 ( -6.620 13.041 -2.984) 14.926 26.931 ( 6.620 13.041 -2.984) 14.926 27.294 ( -16.217 13.815 -6.375) 22.237 27.294 ( 16.217 13.815 -6.375) 22.237 28.224 ( -5.213 14.030 7.189) 16.604 28.224 ( 5.213 14.030 7.189) 16.604 29.234 ( -15.598 -4.855 -2.271) 16.493 29.234 ( 15.598 -4.855 -2.271) 16.493 33.622 ( -1.710 5.728 1.757) 6.231 33.622 ( 1.710 5.728 1.757) 6.231 34.983 ( -8.401 -18.697 -2.302) 20.627 34.983 ( 8.401 -18.697 -2.302) 20.627 ======================= Grid point 84 (33/80) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( 0.000 35.354 22.785) 42.060 3.287 ( 0.000 47.280 5.437) 47.591 3.692 ( 0.000 4.495 -0.325) 4.507 3.914 ( 0.000 3.723 14.286) 14.763 4.059 ( 0.000 16.295 10.851) 19.577 4.419 ( 0.000 -5.205 6.808) 8.570 4.925 ( 0.000 9.195 10.135) 13.684 5.254 ( 0.000 25.904 -7.308) 26.915 5.460 ( 0.000 -5.874 1.050) 5.967 5.849 ( 0.000 14.609 6.750) 16.093 5.908 ( 0.000 -7.127 -4.460) 8.407 6.236 ( 0.000 -16.453 3.592) 16.841 6.634 ( 0.000 -9.435 -0.485) 9.448 6.754 ( 0.000 -19.039 5.275) 19.756 7.084 ( 0.000 -10.112 -2.777) 10.486 7.278 ( 0.000 41.975 12.926) 43.920 7.517 ( 0.000 11.538 -13.927) 18.086 7.595 ( 0.000 -15.495 -0.393) 15.500 7.643 ( 0.000 13.456 -24.127) 27.626 7.856 ( 0.000 6.966 5.148) 8.662 8.320 ( 0.000 -2.260 -0.626) 2.345 8.322 ( 0.000 -8.034 -15.833) 17.755 8.764 ( 0.000 -3.407 5.897) 6.811 9.021 ( 0.000 15.841 -9.304) 18.371 9.137 ( 0.000 18.082 13.096) 22.327 9.485 ( 0.000 6.224 -3.674) 7.227 9.554 ( 0.000 15.615 -9.998) 18.541 9.795 ( 0.000 17.169 -1.616) 17.245 9.885 ( 0.000 16.472 -10.552) 19.563 9.993 ( 0.000 9.681 -8.138) 12.648 10.073 ( 0.000 3.349 14.860) 15.232 10.325 ( 0.000 37.709 -2.935) 37.823 10.557 ( 0.000 42.157 7.947) 42.900 11.025 ( 0.000 23.916 6.839) 24.875 11.072 ( 0.000 14.638 6.075) 15.849 11.162 ( 0.000 19.770 -18.566) 27.121 11.205 ( 0.000 9.820 8.790) 13.179 11.501 ( 0.000 42.409 -0.768) 42.416 11.595 ( 0.000 6.386 -17.700) 18.817 11.667 ( 0.000 10.398 4.808) 11.456 12.019 ( 0.000 -7.674 15.924) 17.677 12.114 ( 0.000 -18.591 -6.351) 19.646 12.400 ( 0.000 6.061 -11.972) 13.419 12.452 ( 0.000 -16.543 10.170) 19.419 12.596 ( 0.000 -10.326 17.479) 20.301 12.814 ( 0.000 8.605 22.992) 24.550 12.953 ( 0.000 -9.096 1.189) 9.173 13.371 ( 0.000 2.260 -5.953) 6.368 13.790 ( 0.000 -13.787 -6.667) 15.315 13.820 ( 0.000 -2.633 -1.349) 2.959 13.949 ( 0.000 -5.891 5.594) 8.124 14.138 ( 0.000 10.274 3.862) 10.975 14.376 ( 0.000 23.488 -6.521) 24.377 14.540 ( 0.000 -18.046 -20.743) 27.494 14.831 ( 0.000 -3.423 -6.223) 7.102 15.514 ( 0.000 -16.325 -16.639) 23.310 15.809 ( 0.000 -11.762 3.302) 12.217 15.869 ( 0.000 -34.109 -0.173) 34.110 16.663 ( 0.000 -38.741 1.722) 38.779 16.810 ( 0.000 -23.739 0.612) 23.747 17.166 ( 0.000 -18.938 23.842) 30.448 17.211 ( 0.000 -8.418 5.153) 9.870 17.631 ( 0.000 -29.322 5.070) 29.757 17.904 ( 0.000 -21.161 5.199) 21.790 18.461 ( 0.000 13.339 -6.583) 14.875 18.716 ( 0.000 4.550 -10.226) 11.193 18.827 ( 0.000 7.994 -9.317) 12.277 19.231 ( 0.000 1.979 -4.812) 5.203 19.487 ( 0.000 -13.373 -2.947) 13.694 19.625 ( 0.000 -20.425 -4.369) 20.887 19.625 ( 0.000 -2.077 5.442) 5.825 20.139 ( 0.000 -5.100 -4.213) 6.616 21.639 ( 0.000 4.398 0.159) 4.401 21.668 ( 0.000 4.074 -5.977) 7.233 21.703 ( 0.000 16.431 0.277) 16.434 22.345 ( 0.000 -5.341 -7.113) 8.895 23.292 ( 0.000 3.810 6.611) 7.631 23.640 ( 0.000 1.907 4.427) 4.820 23.817 ( 0.000 -8.810 10.569) 13.759 24.011 ( 0.000 -5.243 5.621) 7.686 25.970 ( 0.000 5.262 2.605) 5.872 26.062 ( 0.000 5.819 2.767) 6.443 26.101 ( 0.000 -0.686 -0.418) 0.803 26.391 ( 0.000 -3.375 2.411) 4.147 26.723 ( 0.000 3.613 -0.851) 3.712 26.732 ( 0.000 4.101 -3.043) 5.106 27.298 ( 0.000 10.208 -3.673) 10.849 27.809 ( 0.000 -6.702 -6.279) 9.183 28.651 ( 0.000 20.217 -6.135) 21.128 28.742 ( 0.000 21.228 -2.984) 21.437 29.756 ( 0.000 -14.072 -1.962) 14.208 29.813 ( 0.000 -9.103 -5.260) 10.513 33.642 ( 0.000 7.455 2.169) 7.764 33.777 ( 0.000 7.519 0.214) 7.522 34.230 ( 0.000 -9.606 7.189) 11.998 34.463 ( 0.000 -14.291 9.416) 17.114 ======================= Grid point 85 (34/80) ======================= q-point: ( 0.17 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( 6.685 31.867 22.373) 39.506 3.321 ( 2.357 45.047 9.330) 46.064 3.651 ( -2.303 3.824 3.576) 5.720 3.955 ( 4.240 4.382 8.242) 10.252 4.154 ( 7.977 13.296 8.929) 17.893 4.402 ( -1.697 -5.129 6.770) 8.661 4.881 ( -3.421 8.339 3.050) 9.515 5.184 ( -6.602 12.075 -1.675) 13.863 5.527 ( 6.420 -1.253 0.891) 6.602 5.882 ( 1.098 5.442 -2.187) 5.967 6.009 ( -5.706 -4.569 1.553) 7.473 6.154 ( 7.408 3.624 5.385) 9.849 6.563 ( -6.912 -5.599 2.705) 9.297 6.850 ( 3.204 -17.296 2.277) 17.737 6.909 ( -8.416 -13.374 3.671) 16.222 7.257 ( 2.448 40.180 1.859) 40.298 7.290 ( -6.733 17.677 -9.174) 21.023 7.653 ( 6.130 -14.734 -1.441) 16.023 7.887 ( 8.794 -4.071 -11.534) 15.065 8.077 ( 8.332 3.185 -5.758) 10.617 8.236 ( -3.129 -1.813 -14.218) 14.671 8.376 ( 7.112 4.391 -3.977) 9.256 8.771 ( -4.904 15.194 -3.923) 16.441 9.120 ( -2.797 9.388 -3.887) 10.539 9.172 ( 4.646 15.534 -5.210) 17.030 9.296 ( 7.311 7.168 6.780) 12.280 9.455 ( -11.401 5.902 2.049) 13.000 9.737 ( -6.614 20.265 -5.106) 21.920 9.892 ( -6.104 -1.473 -5.995) 8.681 9.953 ( -4.393 21.402 3.122) 22.070 10.124 ( 0.783 18.321 -2.130) 18.461 10.295 ( 3.246 21.370 5.363) 22.271 10.483 ( -7.150 47.973 11.479) 49.843 10.791 ( -12.010 18.386 0.116) 21.961 11.070 ( -3.537 18.296 2.435) 18.794 11.161 ( 4.176 12.949 8.899) 16.257 11.258 ( -7.907 15.913 -1.954) 17.876 11.344 ( -13.444 26.626 4.789) 30.210 11.604 ( 6.300 16.321 -12.420) 21.455 11.807 ( 7.586 8.314 -3.821) 11.885 11.995 ( -1.713 6.263 0.362) 6.503 12.146 ( 11.072 -17.546 -2.117) 20.855 12.480 ( 6.604 -0.285 10.891) 12.740 12.543 ( 3.770 -28.233 7.507) 29.457 12.621 ( 3.292 2.103 13.620) 14.170 12.966 ( 8.940 -11.130 2.031) 14.420 13.035 ( 4.804 4.308 -5.157) 8.261 13.336 ( -0.150 -9.005 -4.232) 9.951 13.621 ( -7.162 -1.600 -2.709) 7.823 13.764 ( -8.396 -6.668 3.585) 11.305 14.007 ( 4.901 -1.646 5.324) 7.421 14.160 ( -0.802 6.864 0.431) 6.924 14.330 ( -3.386 24.406 -5.366) 25.217 14.705 ( 11.323 -16.915 -13.748) 24.563 14.779 ( -3.161 -5.631 -9.039) 11.109 15.521 ( 0.611 -13.051 -22.645) 26.144 15.840 ( 3.394 -21.648 -4.918) 22.458 15.955 ( 5.155 -22.604 2.950) 23.372 16.631 ( -7.660 -28.916 7.619) 30.869 16.687 ( -1.897 -26.962 6.259) 27.744 17.015 ( -5.487 -19.734 6.065) 21.362 17.398 ( 4.132 -18.424 6.678) 20.028 17.612 ( 0.977 -22.985 7.521) 24.204 17.891 ( -2.586 -15.401 8.599) 17.828 18.380 ( -5.286 1.120 -4.283) 6.895 18.616 ( -10.853 1.133 -10.213) 14.946 18.700 ( -7.637 5.717 -8.885) 13.037 19.168 ( -7.200 -2.891 -2.594) 8.181 19.470 ( 7.408 -7.152 0.292) 10.301 19.593 ( 5.517 2.630 -1.124) 6.215 20.003 ( 17.604 -12.916 -0.170) 21.835 20.305 ( 11.746 -5.657 -3.305) 13.450 21.603 ( -0.527 7.529 -0.356) 7.556 21.672 ( -2.117 14.500 1.288) 14.711 21.762 ( 5.055 0.833 -6.168) 8.018 22.307 ( -3.601 -5.759 -6.315) 9.274 23.311 ( 1.812 4.323 6.297) 7.850 23.633 ( -1.205 4.420 3.730) 5.908 23.818 ( 0.604 -10.868 11.252) 15.655 24.003 ( -0.786 -6.228 5.503) 8.348 25.974 ( 0.435 4.864 2.849) 5.653 26.047 ( -1.116 5.253 1.994) 5.728 26.102 ( -0.043 -0.394 -0.251) 0.469 26.325 ( -4.712 -2.535 2.324) 5.834 26.792 ( 5.684 5.216 -2.230) 8.030 26.846 ( 9.601 3.259 -2.182) 10.371 27.317 ( 1.177 10.943 -4.233) 11.792 27.818 ( -0.023 -5.704 -7.315) 9.276 28.608 ( -3.875 19.877 -5.285) 20.929 28.703 ( -2.793 18.042 -2.016) 18.368 29.496 ( -23.187 -1.242 0.910) 23.238 29.667 ( -8.867 -12.888 -1.453) 15.712 33.666 ( 2.038 7.996 2.017) 8.494 33.787 ( 0.504 8.003 0.923) 8.072 34.328 ( 7.224 -12.234 1.727) 14.312 34.535 ( 5.740 -17.897 8.367) 20.573 ======================= Grid point 86 (35/80) ======================= q-point: ( 0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.099 ( 6.339 27.780 19.636) 34.604 3.389 ( -0.376 20.310 13.484) 24.381 3.647 ( 7.811 17.607 4.437) 19.767 4.114 ( 9.838 1.616 4.480) 10.930 4.260 ( -5.989 -5.647 3.837) 9.082 4.444 ( 11.667 12.585 10.262) 19.995 4.753 ( -10.990 7.268 -2.125) 13.346 4.965 ( -12.401 7.634 1.647) 14.655 5.708 ( 5.362 -2.403 1.625) 6.096 5.820 ( 3.731 5.720 6.208) 9.230 5.884 ( -2.914 -3.458 2.912) 5.379 6.357 ( -0.599 20.383 2.829) 20.587 6.392 ( -6.028 -1.527 2.439) 6.680 6.583 ( -11.071 -11.899 -4.236) 16.796 7.122 ( 13.286 -13.815 0.038) 19.167 7.238 ( 4.894 16.667 -11.109) 20.619 7.493 ( 12.069 10.522 -6.038) 17.113 7.775 ( 3.110 -16.210 1.714) 16.594 7.970 ( -0.958 -7.715 -8.422) 11.462 8.025 ( -5.370 0.448 2.597) 5.982 8.187 ( -3.376 11.419 -15.026) 19.172 8.553 ( 5.976 28.011 -24.436) 37.649 8.794 ( 10.260 15.804 3.547) 19.173 9.008 ( -3.025 16.216 1.066) 16.530 9.218 ( -3.785 -2.250 1.950) 4.816 9.329 ( -4.634 11.671 -12.425) 17.665 9.424 ( -4.571 8.955 -3.799) 10.747 9.561 ( -5.937 16.091 1.205) 17.193 9.712 ( -4.804 19.281 4.765) 20.434 9.891 ( 1.632 21.189 16.726) 27.044 10.017 ( -6.768 23.505 -0.829) 24.474 10.317 ( -4.805 29.562 3.066) 30.107 10.410 ( -1.560 11.782 6.937) 13.761 10.578 ( -5.991 6.880 8.488) 12.461 10.836 ( -9.994 29.933 3.708) 31.774 11.043 ( -9.399 10.889 14.020) 20.087 11.217 ( 3.140 18.806 -2.887) 19.284 11.287 ( 3.645 11.852 6.704) 14.096 11.732 ( 4.168 13.603 -9.211) 16.949 11.941 ( -4.254 8.730 -2.051) 9.926 11.999 ( 12.172 5.774 -5.138) 14.419 12.488 ( 12.797 -3.553 1.289) 13.343 12.547 ( -4.183 -13.075 -11.403) 17.846 12.578 ( 4.900 3.440 14.755) 15.923 12.755 ( 4.819 -7.189 10.132) 13.325 12.914 ( -6.604 -17.723 -4.859) 19.527 13.180 ( 5.888 -19.438 7.350) 21.599 13.458 ( 7.749 -4.095 -8.630) 12.300 13.572 ( -6.836 -9.534 1.810) 11.871 13.644 ( 9.516 4.896 -4.346) 11.550 14.013 ( -9.508 5.031 -0.727) 10.781 14.079 ( -3.169 -2.541 -0.091) 4.063 14.299 ( 2.611 23.822 1.966) 24.046 14.638 ( -7.427 -1.570 -0.529) 7.609 15.010 ( 13.556 -15.829 -15.707) 26.097 15.492 ( -5.193 -12.825 -27.828) 31.078 15.906 ( 2.281 -21.318 -8.769) 23.164 16.018 ( -0.086 -15.576 -1.368) 15.636 16.542 ( 3.264 -22.704 8.713) 24.537 16.743 ( 4.350 -28.193 -0.010) 28.526 16.906 ( -2.978 -22.370 4.356) 22.984 17.385 ( -4.124 -17.586 3.198) 18.344 17.584 ( -5.888 -20.344 6.405) 22.127 17.768 ( -9.062 -14.957 6.081) 18.515 18.257 ( 0.539 0.098 2.116) 2.186 18.529 ( -1.610 -4.983 -2.830) 5.952 18.568 ( -0.891 -4.867 -3.675) 6.164 18.948 ( -11.577 -7.515 2.087) 13.960 19.701 ( 10.475 5.262 -0.741) 11.745 19.757 ( 7.303 8.686 -2.351) 11.589 20.331 ( 12.200 -9.318 -1.541) 15.429 20.513 ( 5.549 -5.512 -1.850) 8.036 21.603 ( 0.091 11.099 -0.472) 11.109 21.644 ( -0.175 7.992 2.045) 8.251 21.869 ( 5.245 -1.954 -5.023) 7.521 22.189 ( -7.174 -6.028 -4.414) 10.358 23.372 ( 3.813 5.296 5.621) 8.613 23.572 ( -4.181 6.346 4.221) 8.693 23.856 ( 2.759 -11.848 10.034) 15.769 23.974 ( -1.904 -8.374 5.965) 10.456 25.989 ( 0.830 4.095 2.473) 4.855 26.024 ( -0.873 4.556 1.413) 4.849 26.105 ( 0.617 -0.383 0.153) 0.742 26.223 ( -4.405 -1.715 2.292) 5.254 26.959 ( 9.340 8.037 -2.995) 12.680 27.108 ( 14.268 3.677 -3.832) 15.224 27.306 ( -3.157 12.197 -4.953) 13.538 27.739 ( -8.810 -1.480 -9.435) 12.994 28.512 ( -3.268 18.612 -0.365) 18.901 28.647 ( -3.553 14.249 2.471) 14.892 29.074 ( -9.701 1.821 4.423) 10.816 29.414 ( -13.594 -10.386 -1.606) 17.183 33.718 ( 2.529 8.940 1.752) 9.454 33.788 ( -0.464 8.879 1.591) 9.033 34.487 ( 7.029 -15.369 -1.090) 16.936 34.637 ( 2.211 -21.255 3.163) 21.603 ======================= Grid point 87 (36/80) ======================= q-point: (-0.50 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.253 ( -8.204 20.930 14.507) 26.755 3.253 ( 8.204 20.930 14.507) 26.755 3.992 ( -17.392 2.027 6.776) 18.775 3.992 ( 17.392 2.027 6.776) 18.775 4.395 ( -16.719 7.065 -0.126) 18.151 4.395 ( 16.719 7.065 -0.126) 18.151 4.721 ( -11.539 11.355 6.968) 17.625 4.721 ( 11.539 11.355 6.968) 17.625 5.789 ( -4.980 -8.553 5.424) 11.286 5.789 ( 4.980 -8.553 5.424) 11.286 6.110 ( -15.889 16.728 2.079) 23.165 6.110 ( 15.889 16.728 2.079) 23.165 6.399 ( -6.295 -0.588 -0.318) 6.331 6.399 ( 6.295 -0.588 -0.318) 6.331 7.402 ( -6.928 -0.548 -15.519) 17.004 7.402 ( 6.928 -0.548 -15.519) 17.004 7.562 ( -11.700 -16.350 -7.840) 21.580 7.562 ( 11.700 -16.350 -7.840) 21.580 8.007 ( -2.896 -12.187 1.177) 12.582 8.007 ( 2.896 -12.187 1.177) 12.582 8.396 ( -19.959 45.544 -6.758) 50.183 8.396 ( 19.959 45.544 -6.758) 50.183 9.016 ( -6.554 15.160 -0.205) 16.517 9.016 ( 6.554 15.160 -0.205) 16.517 9.229 ( -6.163 8.284 -5.605) 11.748 9.229 ( 6.163 8.284 -5.605) 11.748 9.286 ( -4.068 9.936 -2.301) 10.980 9.286 ( 4.068 9.936 -2.301) 10.980 9.827 ( -8.320 22.612 0.812) 24.108 9.827 ( 8.320 22.612 0.812) 24.108 10.100 ( -12.845 20.423 16.525) 29.243 10.100 ( 12.845 20.423 16.525) 29.243 10.439 ( -8.156 13.541 0.412) 15.813 10.439 ( 8.156 13.541 0.412) 15.813 10.868 ( -8.253 12.103 12.429) 19.211 10.868 ( 8.253 12.103 12.429) 19.211 11.298 ( -2.759 16.088 1.860) 16.428 11.298 ( 2.759 16.088 1.860) 16.428 11.824 ( -5.190 8.001 -1.618) 9.673 11.824 ( 5.190 8.001 -1.618) 9.673 12.305 ( -14.307 9.059 -12.032) 20.774 12.305 ( 14.307 9.059 -12.032) 20.774 12.643 ( -2.856 -10.423 10.741) 15.237 12.643 ( 2.856 -10.423 10.741) 15.237 12.824 ( -2.794 -8.757 -5.075) 10.499 12.824 ( 2.794 -8.757 -5.075) 10.499 13.342 ( -8.853 -19.087 11.672) 24.061 13.342 ( 8.853 -19.087 11.672) 24.061 13.745 ( -12.360 5.790 -1.287) 13.710 13.745 ( 12.360 5.790 -1.287) 13.710 13.906 ( -11.223 -2.672 -14.035) 18.168 13.906 ( 11.223 -2.672 -14.035) 18.168 14.451 ( -9.268 10.475 5.537) 15.042 14.451 ( 9.268 10.475 5.537) 15.042 15.290 ( -12.011 -14.455 -19.866) 27.348 15.290 ( 12.011 -14.455 -19.866) 27.348 15.969 ( -3.469 -16.061 -6.468) 17.659 15.969 ( 3.469 -16.061 -6.468) 17.659 16.685 ( -7.206 -29.933 -2.524) 30.892 16.685 ( 7.206 -29.933 -2.524) 30.892 17.101 ( -17.322 -10.410 3.179) 20.458 17.101 ( 17.322 -10.410 3.179) 20.458 17.590 ( -6.092 -22.235 7.717) 24.311 17.590 ( 6.092 -22.235 7.717) 24.311 18.387 ( -7.839 -2.967 2.334) 8.700 18.387 ( 7.839 -2.967 2.334) 8.700 18.711 ( -9.618 -8.649 1.562) 13.029 18.711 ( 9.618 -8.649 1.562) 13.029 19.836 ( -1.083 9.350 -1.929) 9.608 19.836 ( 1.083 9.350 -1.929) 9.608 20.517 ( -4.726 -5.642 -1.886) 7.598 20.517 ( 4.726 -5.642 -1.886) 7.598 21.625 ( -1.644 8.093 0.463) 8.272 21.625 ( 1.644 8.093 0.463) 8.272 22.015 ( -8.122 -4.566 -3.177) 9.844 22.015 ( 8.122 -4.566 -3.177) 9.844 23.469 ( -4.922 6.072 5.012) 9.285 23.469 ( 4.922 6.072 5.012) 9.285 23.921 ( -2.894 -10.467 7.665) 13.292 23.921 ( 2.894 -10.467 7.665) 13.292 26.006 ( -0.821 3.919 1.394) 4.239 26.006 ( 0.821 3.919 1.394) 4.239 26.142 ( -2.891 -0.841 1.637) 3.427 26.142 ( 2.891 -0.841 1.637) 3.427 27.167 ( -8.973 11.144 -4.300) 14.939 27.167 ( 8.973 11.144 -4.300) 14.939 27.448 ( -16.170 3.153 -7.072) 17.928 27.448 ( 16.170 3.153 -7.072) 17.928 28.530 ( -4.788 16.254 5.171) 17.716 28.530 ( 4.788 16.254 5.171) 17.716 29.130 ( -10.910 -5.977 -0.799) 12.466 29.130 ( 10.910 -5.977 -0.799) 12.466 33.765 ( -1.669 9.312 1.670) 9.607 33.765 ( 1.669 9.312 1.670) 9.607 34.613 ( -4.054 -19.130 -0.271) 19.557 34.613 ( 4.054 -19.130 -0.271) 19.557 ======================= Grid point 91 (37/80) ======================= q-point: ( 0.00 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.473 ( 0.000 23.292 9.525) 25.164 3.644 ( 0.000 0.641 6.978) 7.008 3.920 ( 0.000 4.817 22.686) 23.191 4.166 ( 0.000 -4.476 8.150) 9.298 4.316 ( 0.000 31.073 3.061) 31.224 4.505 ( 0.000 24.001 4.040) 24.339 4.929 ( 0.000 -13.794 6.195) 15.121 5.054 ( 0.000 -31.099 -6.249) 31.720 5.446 ( 0.000 11.228 2.040) 11.412 5.780 ( 0.000 -18.881 -1.223) 18.921 6.123 ( 0.000 10.135 5.193) 11.388 6.130 ( 0.000 7.253 1.611) 7.429 6.534 ( 0.000 -2.700 6.126) 6.695 6.544 ( 0.000 -0.733 4.153) 4.217 6.913 ( 0.000 -5.260 -0.308) 5.269 7.061 ( 0.000 -21.033 5.643) 21.777 7.654 ( 0.000 5.833 -15.319) 16.392 7.738 ( 0.000 -2.002 -20.036) 20.135 7.980 ( 0.000 5.476 -12.830) 13.950 8.017 ( 0.000 5.426 -13.306) 14.370 8.325 ( 0.000 3.800 6.013) 7.113 8.363 ( 0.000 7.034 3.060) 7.671 8.829 ( 0.000 18.837 4.532) 19.375 9.228 ( 0.000 -12.885 5.588) 14.044 9.414 ( 0.000 20.181 -7.472) 21.520 9.593 ( 0.000 -0.614 4.266) 4.310 9.721 ( 0.000 18.330 6.201) 19.350 9.838 ( 0.000 -2.322 2.504) 3.415 10.097 ( 0.000 10.912 14.060) 17.798 10.178 ( 0.000 10.226 -14.638) 17.856 10.228 ( 0.000 7.895 -15.554) 17.443 10.930 ( 0.000 -56.092 2.399) 56.144 11.134 ( 0.000 21.563 5.993) 22.380 11.277 ( 0.000 20.732 2.964) 20.943 11.311 ( 0.000 0.261 4.336) 4.343 11.410 ( 0.000 3.377 -13.174) 13.600 11.476 ( 0.000 25.793 11.047) 28.059 11.488 ( 0.000 16.531 10.610) 19.643 11.759 ( 0.000 -6.178 -3.419) 7.061 11.796 ( 0.000 3.434 -8.527) 9.192 11.996 ( 0.000 19.860 -8.868) 21.750 12.161 ( 0.000 8.065 -2.644) 8.487 12.373 ( 0.000 4.406 2.487) 5.059 12.628 ( 0.000 -16.304 -0.333) 16.308 12.707 ( 0.000 7.651 7.318) 10.587 12.861 ( 0.000 30.475 -7.343) 31.347 13.209 ( 0.000 -31.211 -7.905) 32.196 13.269 ( 0.000 37.960 18.469) 42.214 13.361 ( 0.000 -2.922 -13.710) 14.018 13.810 ( 0.000 -12.342 5.157) 13.376 13.881 ( 0.000 1.696 3.159) 3.585 14.084 ( 0.000 -6.035 10.371) 12.000 14.121 ( 0.000 -24.284 3.792) 24.578 14.376 ( 0.000 -32.316 2.812) 32.438 14.977 ( 0.000 24.733 -15.264) 29.064 15.269 ( 0.000 -10.656 -17.868) 20.804 15.653 ( 0.000 -1.778 0.323) 1.807 15.653 ( 0.000 0.205 -4.708) 4.713 16.116 ( 0.000 -7.006 -4.247) 8.193 16.348 ( 0.000 -22.237 -9.156) 24.048 16.843 ( 0.000 -11.051 18.829) 21.832 16.932 ( 0.000 -19.155 12.607) 22.932 17.322 ( 0.000 1.472 15.463) 15.533 17.518 ( 0.000 -16.848 13.374) 21.511 18.702 ( 0.000 10.260 -10.287) 14.529 18.785 ( 0.000 1.428 -11.750) 11.837 19.007 ( 0.000 9.460 -11.332) 14.762 19.147 ( 0.000 -6.381 -10.453) 12.247 19.298 ( 0.000 -6.771 -2.472) 7.208 19.317 ( 0.000 -10.421 -0.884) 10.459 19.757 ( 0.000 11.567 5.718) 12.903 19.981 ( 0.000 -10.757 0.474) 10.767 21.698 ( 0.000 1.762 0.431) 1.814 21.709 ( 0.000 0.607 -1.202) 1.347 21.989 ( 0.000 13.204 -1.264) 13.264 22.205 ( 0.000 -9.298 -3.896) 10.081 23.389 ( 0.000 6.399 6.858) 9.380 23.535 ( 0.000 -8.498 7.772) 11.516 23.817 ( 0.000 4.394 3.734) 5.766 23.910 ( 0.000 -5.134 4.101) 6.571 26.050 ( 0.000 3.050 1.302) 3.316 26.088 ( 0.000 -1.055 0.432) 1.140 26.188 ( 0.000 6.748 2.241) 7.110 26.307 ( 0.000 -5.428 2.196) 5.855 26.776 ( 0.000 1.726 -1.834) 2.519 26.783 ( 0.000 1.092 -2.644) 2.860 27.487 ( 0.000 9.527 -4.277) 10.443 27.661 ( 0.000 -8.524 -5.101) 9.933 29.009 ( 0.000 16.005 -7.969) 17.879 29.097 ( 0.000 12.079 -8.683) 14.876 29.505 ( 0.000 -8.955 3.218) 9.515 29.593 ( 0.000 -12.641 0.600) 12.655 33.801 ( 0.000 8.807 2.148) 9.066 33.911 ( 0.000 2.744 -0.492) 2.788 34.074 ( 0.000 -2.715 7.628) 8.097 34.212 ( 0.000 -11.780 5.989) 13.215 ======================= Grid point 92 (38/80) ======================= q-point: ( 0.17 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.492 ( 2.257 21.563 9.557) 23.694 3.681 ( 1.321 -1.185 9.300) 9.468 3.893 ( -1.461 10.132 22.188) 24.435 4.162 ( -2.590 -15.009 11.851) 19.299 4.276 ( -0.063 36.706 0.236) 36.707 4.570 ( 5.523 21.247 3.840) 22.286 4.877 ( -4.311 -13.773 -0.785) 14.454 5.001 ( -3.082 -23.396 1.459) 23.643 5.544 ( 7.542 5.967 1.179) 9.689 5.757 ( -2.361 -12.792 -1.819) 13.135 6.038 ( -3.187 12.160 4.161) 13.241 6.253 ( 3.703 -5.339 -1.719) 6.721 6.531 ( -0.309 -1.811 4.096) 4.489 6.595 ( 2.954 -8.457 8.158) 12.116 6.829 ( -1.851 11.871 0.498) 12.025 7.194 ( 4.959 -20.668 0.693) 21.266 7.437 ( -6.221 6.427 -9.572) 13.101 7.637 ( -4.046 -12.011 -7.200) 14.577 7.940 ( -5.609 10.363 -11.351) 16.361 8.060 ( -1.200 -3.763 -17.484) 17.925 8.549 ( 17.585 11.201 -2.114) 20.956 8.647 ( 17.694 17.204 -2.607) 24.816 8.875 ( 4.735 11.040 0.537) 12.024 9.209 ( -1.699 -9.510 4.195) 10.532 9.402 ( -2.279 12.007 -6.191) 13.700 9.531 ( -14.340 8.751 0.729) 16.815 9.639 ( 0.165 19.115 8.046) 20.740 9.757 ( -4.030 5.110 -8.712) 10.874 9.841 ( -3.918 -4.723 8.886) 10.799 10.121 ( -0.483 -4.280 -8.199) 9.261 10.515 ( 4.828 16.173 -4.513) 17.472 10.777 ( -13.660 11.483 4.755) 18.468 10.975 ( -18.929 1.948 5.484) 19.803 11.206 ( 13.738 -39.429 4.314) 41.976 11.347 ( -5.371 21.149 8.224) 23.319 11.436 ( -0.695 16.183 2.790) 16.437 11.487 ( 1.830 13.857 -6.702) 15.501 11.571 ( 2.127 19.838 5.420) 20.675 11.783 ( 3.066 4.238 -3.028) 6.044 11.898 ( 2.183 5.130 2.304) 6.032 11.993 ( 2.439 18.477 -3.705) 19.002 12.153 ( -2.920 9.723 -4.009) 10.915 12.288 ( 1.009 0.091 2.602) 2.792 12.560 ( -3.405 -6.473 3.634) 8.167 12.596 ( -6.825 -9.646 7.545) 14.020 12.940 ( -9.682 -21.461 -4.182) 23.912 13.100 ( -0.260 25.531 8.944) 27.054 13.254 ( 9.475 15.851 -11.898) 21.968 13.378 ( -9.253 -14.217 5.748) 17.910 13.702 ( 2.405 -10.287 -11.458) 15.586 14.025 ( 8.687 7.295 9.921) 15.070 14.145 ( 4.585 -6.109 4.616) 8.925 14.365 ( 13.955 -14.088 -5.095) 20.474 14.439 ( 4.973 -20.570 0.828) 21.179 14.919 ( -4.878 24.098 -14.151) 28.368 15.296 ( 1.204 -15.847 -21.435) 26.684 15.639 ( 1.268 -3.608 -2.671) 4.665 15.726 ( 3.956 2.578 -2.450) 5.320 16.082 ( -3.711 -11.402 -2.583) 12.266 16.301 ( -2.555 -19.082 -4.049) 19.674 16.700 ( -6.805 -7.022 19.052) 21.415 16.915 ( -1.531 -25.348 10.265) 27.390 17.433 ( 5.951 2.588 14.603) 15.980 17.603 ( 3.653 -13.363 12.835) 18.886 18.431 ( -13.499 4.523 -5.900) 15.411 18.545 ( -17.292 -6.520 -8.293) 20.256 18.858 ( -10.442 9.586 -10.217) 17.473 19.038 ( -10.442 -8.676 -8.727) 16.139 19.492 ( 18.050 6.631 -1.260) 19.271 19.634 ( 18.064 -4.955 -6.100) 19.699 19.917 ( 11.630 7.494 5.171) 14.770 20.134 ( 10.904 -11.550 -0.261) 15.886 21.702 ( 1.059 3.591 0.327) 3.758 21.750 ( 2.744 -1.452 -1.420) 3.414 21.948 ( -3.550 12.876 -0.892) 13.386 22.162 ( -3.882 -9.386 -3.340) 10.692 23.416 ( 2.435 6.703 6.506) 9.653 23.565 ( 2.659 -8.491 7.378) 11.559 23.787 ( -2.681 4.666 4.032) 6.724 23.889 ( -1.969 -5.671 4.242) 7.351 26.050 ( 0.040 2.961 1.391) 3.272 26.087 ( -0.035 -0.978 0.363) 1.044 26.162 ( -2.066 5.741 2.002) 6.421 26.261 ( -3.538 -4.315 2.055) 5.946 26.865 ( 7.518 2.411 -2.511) 8.285 26.883 ( 8.911 0.555 -2.674) 9.320 27.513 ( 1.792 9.572 -4.901) 10.902 27.684 ( 1.359 -8.085 -5.786) 10.034 28.947 ( -5.299 14.304 -7.445) 16.974 29.005 ( -7.481 10.631 -6.484) 14.527 29.398 ( -11.930 -6.851 2.963) 14.073 29.432 ( -10.176 -9.934 3.379) 14.617 33.841 ( 3.335 10.043 1.666) 10.713 33.950 ( 2.629 6.385 -0.136) 6.907 34.109 ( 3.211 -7.599 5.058) 9.677 34.236 ( 2.013 -13.409 5.508) 14.635 ======================= Grid point 93 (39/80) ======================= q-point: ( 0.33 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.565 ( 3.637 18.894 11.748) 22.544 3.673 ( -0.785 7.981 13.784) 15.948 3.861 ( -1.429 3.738 17.442) 17.895 4.052 ( -6.440 -13.471 11.384) 18.776 4.373 ( 8.395 24.649 1.664) 26.093 4.723 ( 7.148 13.266 3.446) 15.458 4.796 ( -2.765 -8.857 -1.181) 9.353 4.909 ( -6.723 -9.871 3.994) 12.593 5.668 ( 0.121 1.075 -0.628) 1.251 5.756 ( 7.849 -5.680 -1.236) 9.767 5.938 ( -6.368 9.089 3.900) 11.763 6.235 ( -6.078 -17.638 -3.693) 19.018 6.513 ( 1.942 8.732 6.537) 11.080 6.734 ( 10.274 -9.185 0.920) 13.812 6.826 ( -0.745 16.039 1.112) 16.095 7.229 ( -1.930 -19.449 -2.778) 19.741 7.440 ( 3.837 3.787 -6.195) 8.213 7.643 ( 2.056 -13.993 1.842) 14.263 7.794 ( -7.302 6.998 -13.352) 16.751 7.937 ( -8.372 -6.860 -11.965) 16.134 8.871 ( 9.954 12.616 -14.366) 21.555 8.989 ( 5.994 5.284 -13.678) 15.841 9.019 ( 16.337 28.463 -1.954) 32.876 9.159 ( -2.282 3.288 2.031) 4.488 9.210 ( -5.736 1.975 2.472) 6.551 9.412 ( -2.834 -6.183 3.661) 7.724 9.624 ( -4.037 8.754 -12.974) 16.163 9.705 ( -5.430 9.660 -7.548) 13.408 9.902 ( 9.861 10.877 3.159) 15.018 10.180 ( 6.738 -4.773 -0.923) 8.309 10.365 ( -6.723 17.658 8.025) 20.529 10.586 ( -8.457 -2.424 10.260) 13.516 10.712 ( -7.275 15.508 4.807) 17.792 11.009 ( -20.802 47.263 4.595) 51.842 11.384 ( 1.102 -20.136 0.614) 20.175 11.449 ( 3.179 -1.741 3.233) 4.857 11.536 ( 3.635 7.822 9.994) 13.201 11.598 ( -2.225 16.213 6.446) 17.589 11.703 ( -5.805 29.116 7.230) 30.557 11.854 ( -7.369 -12.975 1.323) 14.980 12.126 ( 6.912 4.204 9.865) 12.758 12.210 ( 8.901 2.197 -9.462) 13.175 12.399 ( -1.802 -11.636 4.229) 12.512 12.457 ( 3.476 -2.619 5.369) 6.912 12.526 ( -0.275 -18.627 1.005) 18.656 12.785 ( -2.459 -11.690 -1.965) 12.106 13.002 ( -8.494 -2.722 7.714) 11.792 13.110 ( -8.439 -12.869 11.001) 18.917 13.609 ( 16.943 17.951 -19.492) 31.453 13.864 ( 9.858 6.215 -11.167) 16.141 14.109 ( -2.401 7.855 -2.610) 8.619 14.203 ( -0.598 -2.308 0.437) 2.424 14.519 ( 4.873 -2.510 -3.340) 6.419 14.664 ( 8.234 -0.977 -12.511) 15.009 14.810 ( -1.319 8.113 -9.562) 12.609 15.243 ( -7.253 -22.588 -22.000) 32.354 15.694 ( 3.193 -1.399 -5.862) 6.821 15.791 ( 0.855 8.391 -5.189) 9.903 16.020 ( 1.021 -22.574 1.910) 22.677 16.249 ( -4.056 -25.699 -4.125) 26.342 16.689 ( 7.767 1.756 19.628) 21.182 16.955 ( 5.954 -22.896 9.792) 25.604 17.376 ( -12.313 0.415 13.691) 18.418 17.515 ( -12.756 -11.605 9.308) 19.596 18.276 ( 0.585 2.495 -2.576) 3.633 18.371 ( 3.151 -7.483 -2.855) 8.607 18.628 ( -10.390 7.021 -6.651) 14.195 18.785 ( -11.919 -8.810 -4.303) 15.433 19.871 ( 14.985 10.906 -1.751) 18.616 19.984 ( 12.090 8.586 -5.229) 15.724 20.163 ( 10.351 -4.216 2.164) 11.384 20.335 ( 5.879 -12.362 -1.012) 13.726 21.736 ( 1.770 4.959 0.438) 5.283 21.814 ( 2.955 -2.283 -1.350) 3.971 21.857 ( -3.967 10.129 0.047) 10.879 22.047 ( -6.307 -8.747 -2.017) 10.971 23.491 ( 4.299 7.093 5.741) 10.087 23.639 ( 3.591 -6.740 6.142) 9.800 23.709 ( -3.990 3.845 4.949) 7.429 23.828 ( -3.550 -6.981 4.760) 9.165 26.056 ( 0.569 2.774 1.328) 3.128 26.092 ( 0.606 -0.802 0.618) 1.180 26.114 ( -2.081 3.986 1.512) 4.744 26.182 ( -3.401 -2.808 1.808) 4.766 27.082 ( 11.936 4.664 -3.714) 13.342 27.135 ( 13.750 -0.758 -4.075) 14.361 27.513 ( -3.290 9.283 -6.067) 11.568 27.661 ( -5.018 -6.146 -7.282) 10.769 28.818 ( -5.171 11.659 -2.694) 13.036 28.863 ( -3.211 7.048 -1.899) 7.974 29.088 ( -12.597 0.799 5.494) 13.766 29.208 ( -11.126 -10.542 1.741) 15.426 33.922 ( 3.569 12.136 1.158) 12.703 33.990 ( 0.765 11.754 1.515) 11.876 34.196 ( 4.163 -14.167 0.881) 14.793 34.277 ( 1.094 -16.268 3.361) 16.647 ======================= Grid point 94 (40/80) ======================= q-point: (-0.50 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.635 ( -3.033 17.774 15.392) 23.707 3.635 ( 3.033 17.774 15.392) 23.707 3.908 ( -5.858 -10.085 11.525) 16.397 3.908 ( 5.858 -10.085 11.525) 16.397 4.617 ( -12.902 13.926 1.438) 19.039 4.617 ( 12.902 13.926 1.438) 19.039 4.819 ( -1.484 -3.831 3.782) 5.584 4.819 ( 1.484 -3.831 3.782) 5.584 5.749 ( -7.379 7.392 2.301) 10.695 5.749 ( 7.379 7.392 2.301) 10.695 6.013 ( -12.331 -15.813 -2.845) 20.253 6.013 ( 12.331 -15.813 -2.845) 20.253 6.669 ( -9.969 19.443 2.543) 21.997 6.669 ( 9.969 19.443 2.543) 21.997 7.045 ( -13.806 -20.742 0.649) 24.925 7.045 ( 13.806 -20.742 0.649) 24.925 7.584 ( -8.856 6.752 -11.396) 15.934 7.584 ( 8.856 6.752 -11.396) 15.934 7.762 ( -6.705 -11.555 -3.644) 13.847 7.762 ( 6.705 -11.555 -3.644) 13.847 9.024 ( -5.578 13.676 -8.528) 17.055 9.024 ( 5.578 13.676 -8.528) 17.055 9.154 ( -3.986 -1.580 -6.933) 8.152 9.154 ( 3.986 -1.580 -6.933) 8.152 9.400 ( -2.907 11.144 -5.221) 12.645 9.400 ( 2.907 11.143 -5.221) 12.645 9.456 ( -11.717 4.062 -8.718) 15.159 9.456 ( 11.717 4.062 -8.718) 15.159 10.210 ( -14.317 15.817 4.611) 21.827 10.210 ( 14.317 15.817 4.611) 21.827 10.424 ( -10.952 -4.652 5.498) 13.107 10.424 ( 10.952 -4.652 5.498) 13.107 10.634 ( -9.335 39.461 9.703) 41.695 10.634 ( 9.335 39.461 9.703) 41.695 11.428 ( -3.124 15.122 5.665) 16.447 11.428 ( 3.124 15.122 5.665) 16.447 11.589 ( -4.743 -1.078 6.886) 8.431 11.589 ( 4.743 -1.078 6.886) 8.431 11.685 ( -7.535 -9.847 7.972) 14.741 11.685 ( 7.535 -9.847 7.972) 14.741 12.217 ( -4.273 -7.658 4.948) 10.069 12.217 ( 4.273 -7.658 4.948) 10.069 12.460 ( -6.061 -11.428 -1.243) 12.995 12.460 ( 6.061 -11.428 -1.243) 12.995 12.682 ( -12.215 7.731 2.950) 14.754 12.682 ( 12.215 7.731 2.950) 14.754 12.952 ( -7.204 -18.167 5.036) 20.181 12.952 ( 7.204 -18.167 5.036) 20.181 13.934 ( -12.161 13.293 -13.016) 22.227 13.934 ( 12.161 13.293 -13.016) 22.227 14.089 ( -9.186 7.206 -6.425) 13.326 14.089 ( 9.186 7.206 -6.425) 13.326 14.625 ( -4.752 10.529 -7.112) 13.566 14.625 ( 4.752 10.529 -7.112) 13.566 15.010 ( -12.637 -20.506 -15.670) 28.736 15.010 ( 12.637 -20.506 -15.670) 28.736 15.761 ( -2.740 4.368 -6.436) 8.247 15.761 ( 2.740 4.368 -6.436) 8.247 16.123 ( -6.582 -26.858 -2.158) 27.737 16.123 ( 6.582 -26.858 -2.158) 27.737 16.994 ( -17.053 2.044 13.856) 22.067 16.994 ( 17.053 2.044 13.856) 22.067 17.193 ( -12.727 -17.250 11.205) 24.189 17.193 ( 12.727 -17.250 11.205) 24.189 18.411 ( -9.108 4.704 -2.885) 10.650 18.411 ( 9.108 4.704 -2.885) 10.650 18.541 ( -10.235 -8.338 -1.813) 13.325 18.541 ( 10.235 -8.338 -1.813) 13.325 20.081 ( -3.290 14.529 -1.755) 14.999 20.081 ( 3.290 14.529 -1.755) 14.999 20.345 ( -5.025 -12.049 -1.825) 13.181 20.345 ( 5.025 -12.049 -1.825) 13.181 21.778 ( -2.417 7.677 0.484) 8.063 21.778 ( 2.417 7.677 0.484) 8.063 21.913 ( -5.575 -6.217 -0.950) 8.405 21.913 ( 5.575 -6.217 -0.950) 8.405 23.594 ( -4.986 7.001 4.951) 9.919 23.594 ( 4.986 7.001 4.951) 9.919 23.741 ( -4.256 -8.409 5.712) 11.020 23.741 ( 4.256 -8.409 5.712) 11.020 26.076 ( -1.300 3.101 1.176) 3.562 26.076 ( 1.300 3.101 1.176) 3.562 26.121 ( -2.079 -1.612 1.329) 2.947 26.121 ( 2.079 -1.612 1.329) 2.947 27.347 ( -11.235 7.359 -5.475) 14.504 27.347 ( 11.235 7.359 -5.475) 14.504 27.446 ( -13.712 -2.870 -6.413) 15.408 27.446 ( 13.712 -2.870 -6.413) 15.408 28.806 ( -3.696 12.184 2.758) 13.028 28.806 ( 3.696 12.184 2.758) 13.028 28.998 ( -6.042 -8.087 0.861) 10.131 28.998 ( 6.042 -8.087 0.861) 10.131 33.981 ( -1.643 13.116 1.463) 13.299 33.981 ( 1.643 13.116 1.463) 13.299 34.267 ( -2.042 -16.661 0.917) 16.810 34.267 ( 2.042 -16.661 0.917) 16.810 ======================= Grid point 126 (41/80) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 0.000 0.000 38.814) 38.814 1.738 ( 0.000 0.000 43.363) 43.363 2.866 ( 0.000 0.000 13.431) 13.431 3.661 ( 0.000 0.000 -19.757) 19.757 3.745 ( 0.000 0.000 61.907) 61.907 4.127 ( 0.000 0.000 6.432) 6.432 4.485 ( 0.000 0.000 13.749) 13.749 4.523 ( 0.000 0.000 0.389) 0.389 5.317 ( 0.000 0.000 1.178) 1.178 5.673 ( 0.000 0.000 17.337) 17.337 5.711 ( 0.000 0.000 -15.216) 15.216 5.882 ( 0.000 0.000 20.619) 20.619 5.900 ( 0.000 0.000 -36.062) 36.062 6.228 ( 0.000 0.000 8.791) 8.791 6.764 ( 0.000 0.000 -7.265) 7.265 7.025 ( 0.000 0.000 -20.577) 20.577 7.299 ( 0.000 0.000 2.476) 2.476 7.442 ( 0.000 0.000 -38.668) 38.668 7.456 ( 0.000 0.000 -1.822) 1.822 7.643 ( 0.000 0.000 19.820) 19.820 7.862 ( 0.000 0.000 -17.679) 17.679 8.106 ( 0.000 0.000 11.458) 11.458 8.197 ( 0.000 0.000 -17.426) 17.426 8.484 ( 0.000 0.000 -5.908) 5.908 8.741 ( 0.000 0.000 -8.958) 8.958 8.787 ( 0.000 0.000 1.457) 1.457 8.951 ( 0.000 0.000 -10.697) 10.697 9.038 ( 0.000 0.000 -2.648) 2.648 9.175 ( 0.000 0.000 -7.418) 7.418 9.580 ( 0.000 0.000 -2.390) 2.390 9.908 ( 0.000 0.000 13.671) 13.671 10.245 ( 0.000 0.000 19.836) 19.836 10.427 ( 0.000 0.000 19.444) 19.444 10.446 ( 0.000 0.000 9.570) 9.570 10.680 ( 0.000 0.000 -13.084) 13.084 10.731 ( 0.000 0.000 -2.018) 2.018 10.838 ( 0.000 0.000 19.614) 19.614 10.908 ( 0.000 0.000 3.360) 3.360 11.065 ( 0.000 0.000 0.734) 0.734 11.650 ( 0.000 0.000 -2.926) 2.926 11.805 ( 0.000 0.000 -13.392) 13.392 11.952 ( 0.000 0.000 9.623) 9.623 12.174 ( 0.000 0.000 -14.795) 14.795 12.584 ( 0.000 0.000 -0.709) 0.709 12.672 ( 0.000 0.000 -12.890) 12.890 12.674 ( 0.000 0.000 -3.795) 3.795 13.141 ( 0.000 0.000 10.670) 10.670 13.732 ( 0.000 0.000 21.865) 21.865 13.833 ( 0.000 0.000 0.707) 0.707 13.908 ( 0.000 0.000 13.875) 13.875 14.035 ( 0.000 0.000 -5.878) 5.878 14.441 ( 0.000 0.000 -39.007) 39.007 14.540 ( 0.000 0.000 10.377) 10.377 15.188 ( 0.000 0.000 -8.791) 8.791 15.680 ( 0.000 0.000 24.197) 24.197 16.010 ( 0.000 0.000 -4.237) 4.237 16.390 ( 0.000 0.000 0.710) 0.710 16.503 ( 0.000 0.000 -1.724) 1.724 16.843 ( 0.000 0.000 -30.087) 30.087 17.325 ( 0.000 0.000 -14.587) 14.587 17.730 ( 0.000 0.000 11.564) 11.564 17.808 ( 0.000 0.000 -3.835) 3.835 17.955 ( 0.000 0.000 -16.788) 16.788 18.339 ( 0.000 0.000 -7.439) 7.439 18.513 ( 0.000 0.000 0.368) 0.368 18.519 ( 0.000 0.000 0.247) 0.247 18.784 ( 0.000 0.000 39.320) 39.320 19.240 ( 0.000 0.000 13.716) 13.716 20.110 ( 0.000 0.000 -0.829) 0.829 20.144 ( 0.000 0.000 -2.587) 2.587 20.487 ( 0.000 0.000 -3.538) 3.538 20.498 ( 0.000 0.000 4.317) 4.317 20.673 ( 0.000 0.000 -1.568) 1.568 21.039 ( 0.000 0.000 -10.922) 10.922 21.285 ( 0.000 0.000 13.061) 13.061 22.150 ( 0.000 0.000 -16.121) 16.121 23.354 ( 0.000 0.000 8.532) 8.532 23.486 ( 0.000 0.000 6.894) 6.894 24.471 ( 0.000 0.000 14.474) 14.474 25.036 ( 0.000 0.000 -7.368) 7.368 25.859 ( 0.000 0.000 6.411) 6.411 26.165 ( 0.000 0.000 -7.446) 7.446 26.450 ( 0.000 0.000 -0.369) 0.369 26.455 ( 0.000 0.000 -0.319) 0.319 26.556 ( 0.000 0.000 1.786) 1.786 26.580 ( 0.000 0.000 2.183) 2.183 26.654 ( 0.000 0.000 -1.294) 1.294 26.896 ( 0.000 0.000 -11.173) 11.173 27.914 ( 0.000 0.000 -1.517) 1.517 27.983 ( 0.000 0.000 -3.544) 3.544 29.644 ( 0.000 0.000 6.741) 6.741 30.104 ( 0.000 0.000 -8.746) 8.746 33.471 ( 0.000 0.000 2.601) 2.601 33.558 ( 0.000 0.000 -0.191) 0.191 34.812 ( 0.000 0.000 15.321) 15.321 35.706 ( 0.000 0.000 -11.989) 11.989 ======================= Grid point 127 (42/80) ======================= q-point: ( 0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 21.617 0.000 33.196) 39.614 2.108 ( 30.856 0.000 34.133) 46.013 2.836 ( -2.045 0.000 -4.774) 5.193 3.636 ( -2.743 0.000 53.796) 53.865 3.776 ( 10.223 0.000 -17.775) 20.505 4.399 ( 8.990 0.000 11.044) 14.240 4.484 ( -0.705 0.000 -0.981) 1.208 4.606 ( 13.879 0.000 17.608) 22.420 5.194 ( -10.719 0.000 0.372) 10.725 5.389 ( -25.834 0.000 -6.947) 26.751 5.553 ( -4.185 0.000 17.590) 18.081 5.741 ( -10.534 0.000 8.962) 13.831 6.157 ( 14.509 0.000 -27.415) 31.017 6.339 ( 7.787 0.000 4.096) 8.798 6.747 ( -2.837 0.000 -5.692) 6.360 6.874 ( -16.002 0.000 -30.808) 34.716 7.084 ( -14.781 0.000 0.702) 14.797 7.175 ( -20.481 0.000 -1.505) 20.536 7.217 ( 0.962 0.000 -22.383) 22.404 7.793 ( 11.309 0.000 15.555) 19.231 8.084 ( 5.862 0.000 22.017) 22.784 8.178 ( 4.345 0.000 9.866) 10.781 8.512 ( 1.898 0.000 -7.543) 7.778 8.526 ( 14.647 0.000 -28.130) 31.714 8.594 ( 4.282 0.000 -17.754) 18.263 8.813 ( -8.240 0.000 -10.052) 12.998 8.877 ( 2.384 0.000 -4.783) 5.344 9.259 ( 17.961 0.000 0.259) 17.963 9.421 ( 15.153 0.000 -3.372) 15.524 9.518 ( -9.544 0.000 -4.377) 10.499 9.885 ( 2.491 0.000 13.245) 13.477 10.115 ( -11.377 0.000 19.650) 22.706 10.284 ( -10.411 0.000 7.042) 12.569 10.458 ( 1.521 0.000 16.662) 16.732 10.629 ( -9.185 0.000 -3.782) 9.933 10.667 ( -8.185 0.000 17.129) 18.984 10.845 ( 8.499 0.000 -8.467) 11.997 11.064 ( 13.969 0.000 5.309) 14.944 11.259 ( 13.400 0.000 0.341) 13.404 11.534 ( -21.130 0.000 -9.732) 23.263 11.670 ( 0.428 0.000 -2.574) 2.610 11.948 ( -1.337 0.000 2.837) 3.136 12.203 ( 0.974 0.000 -13.233) 13.269 12.461 ( -18.357 0.000 -8.838) 20.374 12.566 ( -1.739 0.000 -1.688) 2.424 12.642 ( -2.900 0.000 -4.413) 5.281 13.258 ( 12.372 0.000 14.902) 19.368 13.732 ( 4.833 0.000 17.711) 18.359 13.756 ( -4.669 0.000 3.618) 5.907 14.040 ( 7.174 0.000 -1.494) 7.328 14.136 ( 5.754 0.000 -7.575) 9.513 14.426 ( -8.406 0.000 10.748) 13.645 14.718 ( 19.074 0.000 -31.506) 36.830 15.125 ( -5.878 0.000 -10.133) 11.715 15.635 ( -22.630 0.000 -6.687) 23.597 15.833 ( 10.381 0.000 20.125) 22.644 16.387 ( 0.121 0.000 1.748) 1.752 16.500 ( -0.420 0.000 -0.128) 0.439 16.608 ( -18.423 0.000 -31.427) 36.429 17.281 ( -4.800 0.000 -10.165) 11.242 17.791 ( 5.146 0.000 8.554) 9.983 17.795 ( -1.059 0.000 -5.367) 5.470 17.896 ( -4.751 0.000 -17.954) 18.572 18.288 ( -3.935 0.000 -7.079) 8.099 18.529 ( 2.341 0.000 1.251) 2.654 18.574 ( 3.041 0.000 0.390) 3.066 18.960 ( 14.187 0.000 37.731) 40.310 19.567 ( 18.356 0.000 9.288) 20.572 20.101 ( -0.003 0.000 -0.144) 0.144 20.175 ( 1.850 0.000 -2.180) 2.859 20.486 ( -0.839 0.000 3.472) 3.571 20.573 ( 7.366 0.000 -4.324) 8.542 20.653 ( -1.772 0.000 -1.769) 2.504 21.096 ( 3.389 0.000 -13.664) 14.078 21.404 ( 11.659 0.000 8.461) 14.405 22.157 ( 0.278 0.000 -15.127) 15.130 23.352 ( -0.107 0.000 8.430) 8.430 23.473 ( -1.165 0.000 6.852) 6.950 24.522 ( 4.626 0.000 14.891) 15.593 25.024 ( -1.243 0.000 -4.010) 4.198 25.884 ( 2.148 0.000 6.126) 6.492 26.157 ( -1.111 0.000 -6.261) 6.359 26.434 ( -0.610 0.000 0.267) 0.666 26.468 ( 0.276 0.000 -0.821) 0.866 26.529 ( -4.297 0.000 5.014) 6.604 26.558 ( 0.296 0.000 1.589) 1.617 26.648 ( -0.565 0.000 -1.232) 1.355 26.804 ( -6.906 0.000 -5.342) 8.731 27.933 ( 2.296 0.000 0.360) 2.324 28.052 ( 5.170 0.000 -3.127) 6.042 29.341 ( -19.561 0.000 16.739) 25.745 29.971 ( -12.033 0.000 -9.438) 15.293 33.486 ( 1.303 0.000 2.673) 2.973 33.578 ( 1.029 0.000 -0.001) 1.029 34.851 ( 4.688 0.000 10.485) 11.485 35.697 ( -2.733 0.000 -14.083) 14.346 ======================= Grid point 128 (43/80) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 16.718 0.000 27.611) 32.278 2.792 ( -2.458 0.000 -2.338) 3.393 2.921 ( 41.567 0.000 21.049) 46.593 3.714 ( 10.708 0.000 8.090) 13.421 4.080 ( 17.115 0.000 -12.772) 21.355 4.385 ( -8.775 0.000 -0.198) 8.777 4.502 ( 4.234 0.000 9.137) 10.071 4.697 ( -36.702 0.000 2.156) 36.765 4.855 ( -2.229 0.000 23.428) 23.534 4.887 ( -17.032 0.000 -2.553) 17.222 5.549 ( 0.267 0.000 -14.716) 14.719 5.580 ( 5.277 0.000 29.845) 30.308 6.460 ( 12.463 0.000 -27.930) 30.584 6.512 ( 7.319 0.000 0.591) 7.342 6.610 ( -7.610 0.000 -0.348) 7.618 6.652 ( -3.220 0.000 -15.656) 15.984 6.740 ( -15.960 0.000 -1.339) 16.016 6.841 ( -8.003 0.000 -4.153) 9.016 7.347 ( 8.880 0.000 -1.724) 9.046 8.028 ( -12.500 0.000 21.705) 25.047 8.052 ( 11.371 0.000 6.960) 13.331 8.289 ( 5.407 0.000 5.167) 7.479 8.488 ( -3.606 0.000 -3.932) 5.335 8.611 ( 11.581 0.000 -3.276) 12.036 8.672 ( -5.433 0.000 -3.743) 6.598 8.816 ( -5.932 0.000 -8.618) 10.462 8.983 ( 7.733 0.000 -16.239) 17.987 9.308 ( -8.401 0.000 5.145) 9.852 9.617 ( 12.982 0.000 1.948) 13.127 9.769 ( -3.547 0.000 -9.140) 9.805 9.769 ( 16.797 0.000 -0.409) 16.802 10.025 ( -3.841 0.000 18.393) 18.790 10.069 ( -9.158 0.000 5.055) 10.461 10.405 ( -11.287 0.000 -3.331) 11.768 10.459 ( 1.794 0.000 -1.120) 2.115 10.638 ( 1.851 0.000 18.647) 18.738 10.867 ( -4.275 0.000 7.472) 8.608 11.181 ( -8.534 0.000 -11.451) 14.281 11.407 ( 16.064 0.000 3.461) 16.432 11.550 ( 11.601 0.000 0.447) 11.610 11.622 ( -7.299 0.000 5.397) 9.078 11.878 ( -3.142 0.000 -2.532) 4.035 12.069 ( -12.071 0.000 -11.034) 16.354 12.180 ( -3.102 0.000 -8.571) 9.115 12.509 ( -3.219 0.000 -4.420) 5.468 12.551 ( -5.146 0.000 -6.304) 8.138 13.573 ( 14.863 0.000 23.518) 27.821 13.692 ( -0.222 0.000 8.464) 8.467 13.884 ( 4.811 0.000 20.235) 20.799 14.038 ( -13.139 0.000 7.722) 15.240 14.223 ( 11.007 0.000 -23.881) 26.295 14.442 ( 9.588 0.000 -5.912) 11.264 14.880 ( -12.431 0.000 -7.089) 14.310 14.940 ( -10.709 0.000 -11.740) 15.890 15.372 ( 8.305 0.000 -39.180) 40.050 16.062 ( -7.407 0.000 -17.464) 18.970 16.291 ( 6.853 0.000 -1.064) 6.935 16.406 ( 1.531 0.000 3.269) 3.610 16.481 ( -1.315 0.000 2.141) 2.513 17.082 ( -14.033 0.000 0.219) 14.035 17.769 ( -1.123 0.000 -10.095) 10.158 17.796 ( -3.459 0.000 -18.994) 19.307 17.926 ( 6.822 0.000 2.878) 7.404 18.189 ( -5.024 0.000 -5.454) 7.415 18.591 ( 2.806 0.000 1.901) 3.389 18.626 ( 1.529 0.000 1.443) 2.103 19.301 ( 15.875 0.000 34.036) 37.556 19.757 ( -0.738 0.000 17.680) 17.696 20.120 ( 1.700 0.000 1.081) 2.015 20.198 ( -0.194 0.000 -0.190) 0.272 20.481 ( 0.869 0.000 0.673) 1.099 20.599 ( -3.118 0.000 -2.097) 3.758 20.781 ( 11.005 0.000 -7.428) 13.277 21.115 ( -2.085 0.000 -12.888) 13.055 21.730 ( 15.536 0.000 -2.246) 15.697 22.136 ( -2.963 0.000 -11.999) 12.360 23.358 ( 0.869 0.000 7.986) 8.033 23.437 ( -2.077 0.000 6.918) 7.223 24.660 ( 7.771 0.000 15.361) 17.215 24.968 ( -4.288 0.000 4.691) 6.356 25.938 ( 2.546 0.000 4.902) 5.524 26.095 ( -4.551 0.000 -0.540) 4.583 26.429 ( 0.153 0.000 0.526) 0.548 26.461 ( -0.842 0.000 -0.286) 0.889 26.461 ( -0.160 0.000 6.227) 6.229 26.574 ( 1.164 0.000 0.552) 1.288 26.630 ( -1.079 0.000 -0.987) 1.462 26.656 ( -6.463 0.000 -0.489) 6.482 28.012 ( 4.605 0.000 3.976) 6.084 28.146 ( 1.889 0.000 2.695) 3.291 29.080 ( -1.864 0.000 7.794) 8.014 29.626 ( -18.353 0.000 -9.608) 20.716 33.522 ( 1.861 0.000 2.691) 3.272 33.584 ( -0.522 0.000 1.448) 1.539 35.026 ( 10.900 0.000 1.315) 10.979 35.552 ( -10.157 0.000 -12.216) 15.887 ======================= Grid point 129 (44/80) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( -6.697 0.000 14.385) 15.868 2.700 ( 6.697 0.000 14.385) 15.868 3.836 ( -41.800 0.000 11.200) 43.274 3.836 ( 41.800 0.000 11.200) 43.274 4.066 ( -18.868 0.000 -7.315) 20.236 4.066 ( 18.868 0.000 -7.315) 20.236 4.485 ( -19.323 0.000 -7.543) 20.743 4.485 ( 19.323 0.000 -7.543) 20.743 4.649 ( -9.692 0.000 6.652) 11.755 4.649 ( 9.692 0.000 6.652) 11.755 5.644 ( -1.936 0.000 11.998) 12.153 5.644 ( 1.936 0.000 11.998) 12.153 6.522 ( -2.649 0.000 0.104) 2.651 6.522 ( 2.649 0.000 0.104) 2.651 6.631 ( -2.518 0.000 -14.750) 14.963 6.631 ( 2.518 0.000 -14.750) 14.963 6.690 ( -6.891 0.000 -3.092) 7.552 6.690 ( 6.891 0.000 -3.092) 7.552 7.643 ( -18.848 0.000 14.145) 23.565 7.643 ( 18.848 0.000 14.145) 23.565 8.262 ( -7.691 0.000 -0.572) 7.712 8.262 ( 7.691 0.000 -0.572) 7.712 8.532 ( -7.115 0.000 2.818) 7.653 8.532 ( 7.115 0.000 2.818) 7.653 8.754 ( -3.735 0.000 -8.515) 9.298 8.754 ( 3.735 0.000 -8.515) 9.298 9.122 ( -13.057 0.000 6.646) 14.651 9.122 ( 13.057 0.000 6.646) 14.651 9.841 ( -8.657 0.000 -8.222) 11.939 9.841 ( 8.657 0.000 -8.222) 11.939 9.849 ( -9.318 0.000 2.019) 9.534 9.849 ( 9.318 0.000 2.019) 9.534 10.132 ( -13.987 0.000 -0.114) 13.987 10.132 ( 13.987 0.000 -0.114) 13.987 10.606 ( -8.699 0.000 2.771) 9.129 10.606 ( 8.699 0.000 2.771) 9.129 10.927 ( -11.144 0.000 13.749) 17.699 10.927 ( 11.144 0.000 13.749) 17.699 11.654 ( -10.665 0.000 -6.203) 12.338 11.654 ( 10.665 0.000 -6.203) 12.338 11.656 ( -4.012 0.000 1.897) 4.438 11.656 ( 4.012 0.000 1.897) 4.438 12.080 ( -5.462 0.000 -7.263) 9.088 12.080 ( 5.462 0.000 -7.263) 9.088 12.468 ( -0.924 0.000 -7.256) 7.315 12.468 ( 0.924 0.000 -7.256) 7.315 13.781 ( -8.679 0.000 11.045) 14.047 13.781 ( 8.679 0.000 11.045) 14.047 13.843 ( -8.427 0.000 25.592) 26.944 13.843 ( 8.427 0.000 25.592) 26.944 14.519 ( -15.994 0.000 -22.253) 27.405 14.519 ( 15.994 0.000 -22.253) 27.405 14.687 ( -12.101 0.000 -10.959) 16.326 14.687 ( 12.101 0.000 -10.959) 16.326 15.698 ( -17.660 0.000 -36.966) 40.968 15.698 ( 17.660 0.000 -36.966) 40.968 16.445 ( -1.899 0.000 3.386) 3.882 16.445 ( 1.899 0.000 3.386) 3.882 16.694 ( -20.644 0.000 8.615) 22.370 16.694 ( 20.644 0.000 8.615) 22.370 17.758 ( -0.347 0.000 -15.594) 15.597 17.758 ( 0.347 0.000 -15.594) 15.597 18.069 ( -6.137 0.000 -2.056) 6.472 18.069 ( 6.137 0.000 -2.056) 6.472 18.633 ( -0.895 0.000 2.014) 2.204 18.633 ( 0.895 0.000 2.014) 2.204 19.607 ( -11.574 0.000 27.416) 29.758 19.607 ( 11.574 0.000 27.416) 29.758 20.167 ( -2.254 0.000 1.468) 2.690 20.167 ( 2.254 0.000 1.468) 2.690 20.528 ( -3.099 0.000 -1.712) 3.541 20.528 ( 3.099 0.000 -1.712) 3.541 21.001 ( -8.289 0.000 -10.786) 13.603 21.001 ( 8.289 0.000 -10.786) 13.603 22.005 ( -9.391 0.000 -7.615) 12.091 22.005 ( 9.391 0.000 -7.615) 12.091 23.391 ( -2.009 0.000 7.332) 7.602 23.391 ( 2.009 0.000 7.332) 7.602 24.835 ( -7.681 0.000 12.834) 14.957 24.835 ( 7.681 0.000 12.834) 14.957 26.000 ( -3.545 0.000 3.179) 4.761 26.000 ( 3.545 0.000 3.179) 4.761 26.441 ( -0.853 0.000 0.337) 0.917 26.441 ( 0.853 0.000 0.337) 0.917 26.526 ( -5.207 0.000 2.542) 5.794 26.526 ( 5.207 0.000 2.542) 5.794 26.603 ( -1.368 0.000 -0.434) 1.435 26.603 ( 1.368 0.000 -0.434) 1.435 28.113 ( -4.062 0.000 6.789) 7.911 28.113 ( 4.062 0.000 6.789) 7.911 29.246 ( -14.879 0.000 -5.884) 16.000 29.246 ( 14.879 0.000 -5.884) 16.000 33.560 ( -1.545 0.000 2.390) 2.845 33.560 ( 1.545 0.000 2.390) 2.845 35.292 ( -12.952 0.000 -6.565) 14.521 35.292 ( 12.952 0.000 -6.565) 14.521 ======================= Grid point 133 (45/80) ======================= q-point: ( 0.00 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 0.000 25.283 30.706) 39.776 2.273 ( 0.000 38.167 31.217) 49.307 3.125 ( 0.000 28.317 5.126) 28.777 3.590 ( 0.000 -2.338 -6.323) 6.741 3.883 ( 0.000 16.047 59.495) 61.621 4.360 ( 0.000 12.892 -1.287) 12.956 4.474 ( 0.000 -0.385 14.734) 14.739 4.625 ( 0.000 14.220 3.803) 14.720 5.520 ( 0.000 -4.080 10.490) 11.255 5.639 ( 0.000 28.715 -2.315) 28.808 5.863 ( 0.000 -1.185 17.635) 17.675 5.873 ( 0.000 0.599 -28.019) 28.025 6.079 ( 0.000 24.874 -14.541) 28.813 6.470 ( 0.000 17.245 6.251) 18.343 6.878 ( 0.000 -11.879 -20.718) 23.881 7.189 ( 0.000 -6.535 -1.454) 6.695 7.196 ( 0.000 37.809 -7.187) 38.486 7.421 ( 0.000 -0.249 -2.206) 2.220 7.638 ( 0.000 17.828 -30.023) 34.917 7.784 ( 0.000 4.744 11.417) 12.363 7.846 ( 0.000 0.299 11.468) 11.471 8.112 ( 0.000 -2.958 7.893) 8.429 8.217 ( 0.000 4.127 -41.855) 42.058 8.560 ( 0.000 2.024 12.885) 13.043 8.627 ( 0.000 8.860 -0.920) 8.908 8.792 ( 0.000 6.005 -12.770) 14.112 8.926 ( 0.000 -9.239 -6.655) 11.386 9.190 ( 0.000 6.695 -10.746) 12.661 9.416 ( 0.000 27.114 -8.914) 28.542 9.457 ( 0.000 -12.022 1.942) 12.178 9.885 ( 0.000 -4.939 5.752) 7.582 10.173 ( 0.000 2.202 18.582) 18.712 10.312 ( 0.000 -11.620 -2.122) 11.812 10.491 ( 0.000 1.163 8.874) 8.950 10.524 ( 0.000 -3.555 1.203) 3.753 10.860 ( 0.000 9.818 19.326) 21.677 10.905 ( 0.000 0.569 1.035) 1.181 11.055 ( 0.000 9.399 14.499) 17.279 11.100 ( 0.000 9.926 0.552) 9.942 11.781 ( 0.000 -4.383 -9.089) 10.091 11.825 ( 0.000 12.366 -10.349) 16.125 12.002 ( 0.000 7.252 9.045) 11.593 12.233 ( 0.000 6.517 -14.233) 15.655 12.730 ( 0.000 5.076 -5.485) 7.474 12.739 ( 0.000 12.329 1.583) 12.430 12.818 ( 0.000 15.725 -7.671) 17.496 13.178 ( 0.000 4.416 8.178) 9.294 13.477 ( 0.000 -25.220 19.497) 31.878 13.708 ( 0.000 -2.101 20.267) 20.375 13.990 ( 0.000 2.788 8.413) 8.863 13.997 ( 0.000 -3.778 -5.201) 6.428 14.398 ( 0.000 -4.186 -35.583) 35.828 14.494 ( 0.000 -5.044 4.702) 6.896 14.797 ( 0.000 -33.483 5.957) 34.009 15.213 ( 0.000 -33.886 4.484) 34.181 15.765 ( 0.000 -0.876 2.110) 2.285 16.139 ( 0.000 -13.558 -6.037) 14.842 17.077 ( 0.000 14.790 -11.736) 18.881 17.324 ( 0.000 -2.991 -18.029) 18.276 17.404 ( 0.000 1.154 -14.895) 14.940 17.563 ( 0.000 -10.184 3.003) 10.618 17.600 ( 0.000 11.474 -14.132) 18.203 17.969 ( 0.000 8.210 1.389) 8.327 18.340 ( 0.000 -4.046 -6.027) 7.259 18.463 ( 0.000 -6.214 1.116) 6.314 18.588 ( 0.000 0.027 1.203) 1.203 18.709 ( 0.000 -7.126 30.738) 31.553 19.208 ( 0.000 -2.019 11.679) 11.852 19.976 ( 0.000 -12.295 -0.874) 12.326 20.049 ( 0.000 -6.400 -6.085) 8.831 20.198 ( 0.000 -12.612 -5.608) 13.802 20.360 ( 0.000 -24.107 -4.323) 24.492 20.911 ( 0.000 22.028 1.671) 22.091 21.253 ( 0.000 14.074 -6.176) 15.369 21.338 ( 0.000 6.237 11.356) 12.956 22.162 ( 0.000 1.020 -15.657) 15.690 23.365 ( 0.000 1.097 8.798) 8.866 23.527 ( 0.000 4.109 6.234) 7.466 24.412 ( 0.000 -5.681 12.513) 13.743 24.788 ( 0.000 -21.951 -0.214) 21.952 25.885 ( 0.000 2.598 5.880) 6.428 26.132 ( 0.000 -2.509 -4.904) 5.508 26.207 ( 0.000 -11.853 5.901) 13.241 26.471 ( 0.000 -0.362 -3.953) 3.969 26.546 ( 0.000 2.039 4.958) 5.361 26.588 ( 0.000 3.574 2.660) 4.455 26.805 ( 0.000 10.470 -2.703) 10.814 27.275 ( 0.000 22.889 -21.117) 31.142 28.024 ( 0.000 11.140 -1.317) 11.218 28.032 ( 0.000 5.422 -1.166) 5.546 29.701 ( 0.000 4.604 1.485) 4.837 30.051 ( 0.000 -5.394 -7.965) 9.620 33.495 ( 0.000 2.543 2.677) 3.692 33.583 ( 0.000 2.552 -0.126) 2.555 34.755 ( 0.000 -5.736 14.386) 15.488 35.455 ( 0.000 -22.017 -2.101) 22.117 ======================= Grid point 134 (46/80) ======================= q-point: ( 0.17 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 17.628 21.343 28.447) 39.693 2.532 ( 19.219 26.678 26.938) 42.506 3.069 ( -1.810 25.243 -0.561) 25.314 3.807 ( 2.448 12.151 19.234) 22.882 3.816 ( 12.325 11.386 15.197) 22.638 4.438 ( 2.264 2.365 7.660) 8.330 4.504 ( 1.060 1.687 2.512) 3.206 4.712 ( 8.661 11.966 16.718) 22.308 5.421 ( -9.622 5.582 5.750) 12.522 5.493 ( -14.337 23.613 -1.439) 27.662 5.611 ( -10.657 8.818 3.983) 14.394 5.847 ( -8.744 10.318 7.837) 15.631 6.174 ( 11.683 3.104 -23.564) 26.483 6.639 ( 10.759 22.175 0.143) 24.647 6.852 ( -8.035 -1.337 -17.392) 19.205 6.931 ( -15.346 -1.774 -1.453) 15.517 7.187 ( -21.689 5.984 -13.876) 26.434 7.198 ( -1.537 15.247 -16.135) 22.252 7.317 ( -3.653 24.249 -9.749) 26.390 7.953 ( 12.037 5.549 9.323) 16.205 8.000 ( 7.402 -7.602 16.512) 19.627 8.117 ( 0.588 -2.602 7.537) 7.995 8.513 ( -4.340 7.170 11.522) 14.248 8.608 ( 20.945 6.077 -33.232) 39.749 8.743 ( 6.928 16.483 -6.650) 19.077 8.807 ( 5.304 -2.043 -8.981) 10.629 8.870 ( -5.870 -0.903 -11.639) 13.066 9.245 ( 0.501 -7.306 -1.755) 7.531 9.443 ( 6.861 5.484 -1.223) 8.868 9.558 ( 5.248 7.117 -5.686) 10.513 9.794 ( -5.129 -4.806 7.301) 10.135 10.080 ( -15.530 -9.302 5.756) 18.996 10.165 ( -0.422 1.628 17.438) 17.519 10.506 ( 1.510 0.751 6.024) 6.255 10.640 ( -6.021 1.266 6.967) 9.295 10.740 ( -0.342 7.255 5.310) 8.997 10.916 ( 5.300 8.891 8.449) 13.362 11.190 ( 8.414 -1.882 0.603) 8.643 11.245 ( 10.315 10.026 4.126) 14.965 11.519 ( -17.937 -0.386 -6.771) 19.176 11.796 ( -1.204 8.655 -6.362) 10.809 12.042 ( -1.007 9.048 3.153) 9.634 12.260 ( 1.264 6.101 -12.079) 13.591 12.499 ( -17.560 7.822 -3.255) 19.497 12.713 ( -2.134 8.299 -4.748) 9.797 12.829 ( -1.588 20.273 -5.152) 20.978 13.207 ( 8.069 -5.734 12.527) 15.966 13.666 ( 8.119 -11.781 9.181) 17.000 13.696 ( 3.545 -3.543 16.270) 17.025 13.911 ( -0.224 -4.463 5.373) 6.989 14.119 ( 4.479 -2.768 -6.216) 8.146 14.400 ( -6.328 -3.490 3.077) 7.854 14.681 ( 19.157 -4.397 -28.950) 34.992 14.804 ( -0.577 -28.410 1.024) 28.434 15.119 ( -7.388 -29.053 2.271) 30.063 15.806 ( 3.450 -8.367 -1.759) 9.220 16.147 ( 0.553 -9.569 -4.501) 10.590 16.858 ( -15.612 16.382 -5.437) 23.274 17.145 ( -18.176 22.086 -16.231) 32.888 17.292 ( -4.559 1.137 -11.417) 12.346 17.405 ( -8.815 -19.294 -10.132) 23.508 17.603 ( -0.676 -13.985 -5.211) 14.940 18.011 ( 3.780 4.572 3.030) 6.661 18.338 ( -0.266 2.003 -4.321) 4.771 18.507 ( 3.477 -6.597 0.812) 7.501 18.627 ( 2.230 2.083 -4.082) 5.096 18.837 ( 11.722 -12.000 35.629) 39.380 19.446 ( 11.768 -9.986 9.366) 18.054 19.916 ( -1.812 -14.749 -1.305) 14.917 20.103 ( 0.161 -10.270 -4.940) 11.397 20.295 ( 7.882 -8.450 -2.450) 11.812 20.450 ( 7.239 -12.944 -6.654) 16.255 20.925 ( 1.694 20.941 0.480) 21.015 21.273 ( 1.010 12.580 -7.167) 14.513 21.441 ( 10.066 4.637 6.562) 12.880 22.164 ( -0.139 0.559 -14.615) 14.626 23.364 ( 0.065 1.286 8.645) 8.741 23.513 ( -1.334 3.936 6.257) 7.512 24.451 ( 3.550 -6.776 12.941) 15.033 24.786 ( -0.315 -21.083 2.142) 21.194 25.907 ( 1.805 2.274 5.518) 6.235 26.107 ( -2.387 -3.918 -2.055) 5.027 26.202 ( -0.066 -10.238 4.577) 11.215 26.459 ( -2.867 -3.487 1.381) 4.721 26.513 ( 0.939 5.617 -0.014) 5.695 26.651 ( 3.617 6.359 1.745) 7.521 26.789 ( -1.419 10.611 -2.359) 10.963 27.204 ( -6.197 24.455 -16.302) 30.037 28.008 ( 1.033 7.467 1.543) 7.695 28.122 ( 5.472 7.640 -2.423) 9.705 29.399 ( -20.555 5.269 11.963) 24.360 29.923 ( -11.562 -4.792 -8.606) 15.189 33.510 ( 1.319 2.578 2.713) 3.968 33.601 ( 0.985 2.405 0.086) 2.601 34.793 ( 4.396 -5.894 9.899) 12.331 35.484 ( 0.226 -19.547 -7.057) 20.783 ======================= Grid point 135 (47/80) ======================= q-point: ( 0.33 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 14.564 14.006 26.936) 33.672 2.886 ( 3.526 12.001 -1.253) 12.571 3.177 ( 21.533 15.829 25.230) 36.753 3.968 ( 14.240 25.682 1.481) 29.403 4.170 ( 15.404 5.499 -5.317) 17.198 4.397 ( -12.282 1.857 -1.634) 12.528 4.506 ( 4.338 3.240 9.413) 10.859 4.739 ( -10.140 0.570 10.676) 14.735 5.048 ( -16.216 24.987 10.865) 31.707 5.223 ( -12.710 29.907 2.659) 32.604 5.596 ( 4.605 4.272 21.835) 22.720 5.643 ( -4.774 11.402 -9.610) 15.658 6.431 ( 9.350 -2.075 -23.645) 25.511 6.586 ( -9.281 -1.485 -15.728) 18.322 6.629 ( -10.146 -3.214 0.748) 10.669 6.750 ( -14.295 1.358 -8.173) 16.522 6.901 ( 10.220 31.050 -5.434) 33.137 7.252 ( -4.021 32.123 -8.836) 33.557 7.360 ( 13.085 10.633 3.640) 17.248 8.056 ( -4.903 2.156 13.655) 14.668 8.182 ( 6.358 -8.572 4.244) 11.486 8.273 ( 13.502 10.065 4.444) 17.417 8.424 ( -0.499 2.578 5.279) 5.896 8.696 ( -4.610 0.642 -4.211) 6.277 8.779 ( -7.371 11.922 -7.998) 16.138 8.837 ( -1.014 8.214 -1.575) 8.425 8.971 ( 7.044 -1.975 -9.055) 11.641 9.218 ( -2.739 -11.084 3.049) 11.817 9.508 ( -10.016 -2.831 2.379) 10.677 9.635 ( 7.253 -8.816 0.970) 11.457 9.837 ( -0.886 -8.615 3.885) 9.492 9.843 ( 9.787 5.237 -7.747) 13.536 10.158 ( -1.535 3.998 15.027) 15.625 10.385 ( -9.541 1.991 -1.685) 9.891 10.587 ( -2.912 8.499 -3.549) 9.659 10.741 ( 3.428 4.842 13.588) 14.827 10.962 ( -1.253 9.072 8.989) 12.833 11.223 ( -5.767 3.109 -6.257) 9.059 11.417 ( 13.115 -2.609 -0.779) 13.394 11.533 ( 9.506 4.368 0.684) 10.483 11.689 ( -8.001 5.996 5.986) 11.653 12.009 ( -4.804 10.228 -3.486) 11.825 12.097 ( -8.155 5.502 -12.545) 15.942 12.282 ( -3.233 13.036 -1.484) 13.513 12.655 ( -2.501 10.921 -6.819) 13.115 12.741 ( -5.674 18.144 -7.859) 20.571 13.427 ( 9.557 -10.217 15.842) 21.135 13.765 ( -1.918 -7.607 16.276) 18.068 13.811 ( 6.715 4.728 16.670) 18.583 14.015 ( 8.167 -16.571 -12.829) 22.492 14.101 ( -1.815 2.742 5.520) 6.425 14.413 ( 7.247 -4.166 -12.809) 15.295 14.691 ( -10.760 -17.209 -5.623) 21.060 14.819 ( -7.972 -12.107 -4.859) 15.289 15.193 ( 16.342 -13.519 -27.531) 34.753 15.805 ( -7.197 -19.963 -20.728) 29.664 16.237 ( 10.948 -3.435 7.649) 13.790 16.610 ( -4.952 14.221 -0.207) 15.059 16.802 ( -12.541 17.307 -9.054) 23.212 17.016 ( -17.628 -8.355 1.642) 19.577 17.364 ( 2.266 -21.175 -19.789) 29.071 17.546 ( -4.136 -15.586 -11.332) 19.709 18.116 ( 5.527 2.216 4.375) 7.389 18.314 ( -2.326 5.703 -0.163) 6.162 18.593 ( 4.034 -2.426 -1.041) 4.821 18.666 ( 1.083 2.837 -3.460) 4.604 19.134 ( 14.075 -15.606 31.518) 37.881 19.545 ( -2.040 -16.032 15.265) 22.231 19.927 ( 2.370 -16.970 -1.576) 17.207 20.058 ( -3.187 -14.530 -1.514) 14.952 20.456 ( 5.814 -1.612 -1.036) 6.121 20.561 ( 1.815 -0.777 -3.073) 3.652 21.009 ( 6.308 17.079 -3.443) 18.530 21.265 ( -2.348 11.796 -8.309) 14.618 21.730 ( 14.371 0.496 -1.970) 14.514 22.132 ( -3.426 -0.409 -11.407) 11.918 23.376 ( 1.199 1.840 8.047) 8.341 23.471 ( -2.405 3.414 6.507) 7.732 24.556 ( 5.751 -9.858 13.656) 17.797 24.761 ( -2.311 -18.468 7.715) 20.148 25.946 ( 1.531 1.024 3.964) 4.371 26.038 ( -3.472 -3.706 1.725) 5.363 26.223 ( 2.297 -7.891 3.827) 9.066 26.379 ( -3.930 -3.804 4.515) 7.092 26.567 ( 3.315 7.172 -2.941) 8.431 26.708 ( -0.619 10.713 -3.163) 11.187 26.772 ( 2.190 11.626 1.111) 11.883 27.038 ( -8.179 23.794 -7.371) 26.218 28.068 ( 4.259 6.067 4.760) 8.810 28.219 ( 1.749 7.651 2.370) 8.198 29.093 ( -4.224 1.299 7.418) 8.635 29.591 ( -17.718 -3.522 -8.751) 20.073 33.547 ( 1.859 2.608 2.678) 4.175 33.607 ( -0.461 2.467 1.420) 2.883 34.954 ( 9.906 -7.292 1.545) 12.397 35.404 ( -7.486 -14.390 -9.017) 18.558 ======================= Grid point 136 (48/80) ======================= q-point: (-0.50 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( -7.276 11.156 15.961) 20.788 2.798 ( 7.276 11.156 15.961) 20.788 3.835 ( -32.043 2.138 2.622) 32.221 3.835 ( 32.043 2.138 2.622) 32.221 4.279 ( -10.441 10.964 2.402) 15.330 4.279 ( 10.441 10.964 2.402) 15.330 4.672 ( -7.690 5.535 11.115) 14.605 4.672 ( 7.690 5.535 11.115) 14.605 4.854 ( -14.359 37.893 -5.164) 40.850 4.854 ( 14.359 37.893 -5.164) 40.850 5.659 ( -1.375 4.817 4.335) 6.625 5.659 ( 1.375 4.817 4.335) 6.625 6.480 ( -1.335 -4.686 -4.852) 6.877 6.480 ( 1.335 -4.686 -4.852) 6.877 6.581 ( -3.000 -1.830 -11.620) 12.140 6.581 ( 3.000 -1.830 -11.620) 12.140 7.119 ( -8.435 32.762 -7.618) 34.677 7.119 ( 8.435 32.762 -7.618) 34.677 7.740 ( -20.462 14.391 17.341) 30.439 7.740 ( 20.462 14.391 17.341) 30.439 8.327 ( -7.826 -6.208 -3.322) 10.527 8.327 ( 7.826 -6.208 -3.322) 10.527 8.553 ( -11.150 11.751 -3.947) 16.673 8.553 ( 11.150 11.751 -3.947) 16.673 8.788 ( -6.336 -0.676 1.946) 6.662 8.788 ( 6.336 -0.676 1.946) 6.662 9.028 ( -5.245 -3.213 8.890) 10.811 9.028 ( 5.245 -3.213 8.890) 10.811 9.588 ( -10.211 -12.334 -1.006) 16.043 9.588 ( 10.211 -12.334 -1.006) 16.043 9.905 ( -9.660 -4.567 -4.193) 11.478 9.905 ( 9.660 -4.567 -4.193) 11.478 10.196 ( -10.025 9.668 -1.240) 13.983 10.196 ( 10.025 9.668 -1.240) 13.983 10.696 ( -12.918 6.662 1.976) 14.669 10.696 ( 12.918 6.662 1.976) 14.669 11.029 ( -8.947 7.012 13.490) 17.641 11.029 ( 8.947 7.012 13.490) 17.641 11.620 ( -3.370 -0.357 1.888) 3.879 11.620 ( 3.370 -0.357 1.888) 3.879 11.729 ( -11.880 5.375 -10.907) 17.000 11.729 ( 11.880 5.375 -10.907) 17.000 12.177 ( -6.092 12.038 -1.704) 13.599 12.177 ( 6.092 12.038 -1.704) 13.599 12.642 ( -2.131 14.891 -8.999) 17.529 12.642 ( 2.131 14.891 -8.999) 17.529 13.614 ( -8.652 -10.081 17.660) 22.099 13.614 ( 8.652 -10.081 17.660) 22.099 13.970 ( -6.390 4.489 14.307) 16.300 13.970 ( 6.390 4.489 14.307) 16.300 14.349 ( -15.357 -12.455 -15.646) 25.215 14.349 ( 15.357 -12.455 -15.646) 25.215 14.632 ( -8.685 -8.099 -10.581) 15.906 14.632 ( 8.685 -8.099 -10.581) 15.906 15.541 ( -14.963 -13.716 -27.379) 34.082 15.541 ( 14.963 -13.716 -27.379) 34.082 16.570 ( -14.330 -7.335 6.967) 17.541 16.570 ( 14.330 -7.335 6.967) 17.541 16.644 ( -9.814 9.576 -2.857) 14.006 16.644 ( 9.814 9.576 -2.857) 14.006 17.445 ( -4.682 -18.678 -16.625) 25.440 17.445 ( 4.682 -18.678 -16.625) 25.440 18.233 ( -4.900 4.004 3.250) 7.113 18.233 ( 4.900 4.004 3.250) 7.113 18.660 ( -1.759 1.766 -2.479) 3.515 18.660 ( 1.759 1.766 -2.479) 3.515 19.404 ( -10.179 -17.233 23.979) 31.234 19.404 ( 10.179 -17.233 23.979) 31.234 19.989 ( -3.066 -15.834 -1.255) 16.177 19.989 ( 3.066 -15.834 -1.255) 16.177 20.545 ( -2.623 1.666 -0.483) 3.144 20.545 ( 2.623 1.666 -0.483) 3.144 21.164 ( -6.700 13.156 -7.213) 16.432 21.164 ( 6.700 13.156 -7.213) 16.432 21.995 ( -9.431 -0.890 -6.977) 11.764 21.995 ( 9.431 -0.890 -6.977) 11.764 23.417 ( -2.406 2.634 7.164) 8.003 23.417 ( 2.406 2.634 7.164) 8.003 24.679 ( -5.129 -14.256 12.479) 19.629 24.679 ( 5.129 -14.256 12.479) 19.629 25.978 ( -1.872 -1.201 2.604) 3.424 25.978 ( 1.872 -1.201 2.604) 3.424 26.294 ( -3.837 -5.821 4.552) 8.326 26.294 ( 3.837 -5.821 4.552) 8.326 26.645 ( -3.709 9.333 -3.478) 10.628 26.645 ( 3.709 9.333 -3.478) 10.628 26.877 ( -6.432 18.396 -1.367) 19.536 26.877 ( 6.432 18.396 -1.367) 19.536 28.174 ( -4.749 6.553 7.089) 10.758 28.174 ( 4.749 6.553 7.089) 10.758 29.226 ( -14.050 -1.979 -5.263) 15.133 29.226 ( 14.050 -1.979 -5.263) 15.133 33.584 ( -1.508 2.578 2.341) 3.795 33.584 ( 1.508 2.578 2.341) 3.795 35.191 ( -11.232 -10.096 -5.291) 16.003 35.191 ( 11.232 -10.096 -5.291) 16.003 ======================= Grid point 140 (49/80) ======================= q-point: ( 0.00 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 0.000 39.535 17.336) 43.169 2.870 ( 0.000 26.826 25.878) 37.273 3.632 ( 0.000 6.367 5.712) 8.554 3.719 ( 0.000 25.933 11.196) 28.247 4.370 ( 0.000 17.256 28.317) 33.160 4.481 ( 0.000 2.805 -1.397) 3.133 4.553 ( 0.000 21.482 10.350) 23.845 5.001 ( 0.000 18.293 14.359) 23.255 5.518 ( 0.000 2.743 7.367) 7.861 5.835 ( 0.000 0.071 -16.227) 16.228 5.850 ( 0.000 0.967 11.875) 11.914 6.378 ( 0.000 25.345 0.278) 25.346 6.519 ( 0.000 5.364 -7.968) 9.605 6.543 ( 0.000 19.713 -28.407) 34.577 6.807 ( 0.000 1.939 -3.492) 3.994 7.139 ( 0.000 4.178 0.047) 4.179 7.241 ( 0.000 -12.152 -2.261) 12.361 7.495 ( 0.000 -16.264 9.953) 19.068 7.890 ( 0.000 -13.614 -1.232) 13.669 8.011 ( 0.000 4.778 20.620) 21.166 8.170 ( 0.000 38.957 -4.016) 39.164 8.185 ( 0.000 30.872 -18.966) 36.233 8.445 ( 0.000 19.224 -34.038) 39.091 8.592 ( 0.000 -21.880 -6.287) 22.766 8.804 ( 0.000 4.412 -1.780) 4.758 8.816 ( 0.000 14.540 -17.044) 22.403 9.059 ( 0.000 41.779 16.418) 44.889 9.334 ( 0.000 4.933 -1.191) 5.075 9.547 ( 0.000 15.790 -4.748) 16.488 9.809 ( 0.000 7.762 -3.377) 8.465 9.883 ( 0.000 15.434 3.567) 15.840 10.183 ( 0.000 0.750 -20.782) 20.795 10.318 ( 0.000 7.637 10.183) 12.728 10.408 ( 0.000 -4.871 -1.856) 5.212 10.631 ( 0.000 19.429 7.133) 20.697 10.964 ( 0.000 8.930 2.489) 9.270 11.150 ( 0.000 18.580 21.586) 28.482 11.235 ( 0.000 8.510 12.559) 15.171 11.306 ( 0.000 8.182 1.076) 8.252 11.710 ( 0.000 -0.637 0.025) 0.637 11.995 ( 0.000 6.164 -15.475) 16.658 12.168 ( 0.000 7.802 9.417) 12.229 12.410 ( 0.000 11.064 -10.973) 15.583 12.726 ( 0.000 -9.976 17.138) 19.830 12.914 ( 0.000 4.417 5.698) 7.209 13.091 ( 0.000 -6.514 9.318) 11.369 13.283 ( 0.000 1.507 8.645) 8.776 13.296 ( 0.000 26.570 -11.115) 28.801 13.662 ( 0.000 -5.960 13.605) 14.853 13.890 ( 0.000 -10.288 -2.573) 10.605 14.052 ( 0.000 3.579 -0.512) 3.615 14.132 ( 0.000 -21.470 12.108) 24.649 14.287 ( 0.000 -6.877 -18.572) 19.804 14.333 ( 0.000 -12.793 -2.355) 13.008 14.769 ( 0.000 -14.077 -7.032) 15.736 15.495 ( 0.000 -21.065 -23.456) 31.527 16.044 ( 0.000 -2.901 5.917) 6.590 16.686 ( 0.000 -42.221 -5.462) 42.572 17.226 ( 0.000 -15.092 -3.091) 15.405 17.231 ( 0.000 -6.892 4.213) 8.078 17.366 ( 0.000 -4.448 -0.606) 4.489 17.903 ( 0.000 -9.138 -1.320) 9.233 18.037 ( 0.000 -5.509 -2.739) 6.152 18.231 ( 0.000 -4.400 -4.790) 6.504 18.279 ( 0.000 -7.518 1.670) 7.701 18.518 ( 0.000 -1.997 -2.284) 3.034 18.566 ( 0.000 -5.745 7.493) 9.441 19.199 ( 0.000 -0.282 4.520) 4.528 19.725 ( 0.000 -12.449 0.471) 12.458 19.877 ( 0.000 -18.453 -8.129) 20.164 19.883 ( 0.000 -21.968 -3.203) 22.201 20.030 ( 0.000 1.084 -7.698) 7.774 21.308 ( 0.000 18.668 -1.010) 18.696 21.488 ( 0.000 10.173 -2.602) 10.500 21.514 ( 0.000 10.838 6.687) 12.735 22.180 ( 0.000 0.561 -13.811) 13.823 23.397 ( 0.000 2.254 9.384) 9.651 23.628 ( 0.000 5.925 4.681) 7.551 24.276 ( 0.000 -7.888 8.645) 11.703 24.349 ( 0.000 -21.414 7.135) 22.571 25.953 ( 0.000 4.325 4.944) 6.569 26.090 ( 0.000 -1.307 5.662) 5.811 26.098 ( 0.000 -0.712 -1.563) 1.718 26.445 ( 0.000 -1.628 -4.426) 4.716 26.632 ( 0.000 5.172 5.339) 7.434 26.663 ( 0.000 3.835 2.423) 4.536 27.006 ( 0.000 10.060 -5.544) 11.487 27.570 ( 0.000 6.940 -22.009) 23.078 28.225 ( 0.000 15.115 0.799) 15.136 28.315 ( 0.000 18.157 -1.716) 18.237 29.763 ( 0.000 0.865 -3.856) 3.952 29.907 ( 0.000 -9.274 -5.745) 10.910 33.570 ( 0.000 5.254 2.889) 5.996 33.658 ( 0.000 5.290 0.066) 5.291 34.603 ( 0.000 -9.735 12.165) 15.581 35.010 ( 0.000 -22.261 5.716) 22.983 ======================= Grid point 141 (50/80) ======================= q-point: ( 0.17 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( 12.063 36.025 17.230) 41.715 2.983 ( 8.047 23.594 22.659) 33.688 3.553 ( -5.527 21.232 19.900) 29.620 3.889 ( 13.247 5.898 2.899) 14.787 4.338 ( -0.762 17.956 15.009) 23.415 4.499 ( 0.666 3.792 1.335) 4.075 4.592 ( 4.076 15.235 4.471) 16.392 4.982 ( -3.605 14.138 17.573) 22.841 5.527 ( -0.869 4.773 -0.342) 4.864 5.708 ( -3.779 8.362 4.169) 10.079 5.971 ( 1.192 2.592 -5.910) 6.562 6.214 ( -4.828 12.037 -7.187) 14.827 6.329 ( -9.171 36.175 2.695) 37.416 6.749 ( 8.583 1.976 -5.578) 10.426 6.807 ( -8.181 -3.543 -3.181) 9.466 7.034 ( -5.857 -1.595 -4.270) 7.421 7.266 ( 9.269 8.139 -6.710) 14.042 7.547 ( -28.288 25.938 -23.828) 45.175 7.597 ( 7.697 -17.352 7.571) 20.437 7.916 ( -2.526 -9.441 -5.198) 11.069 8.203 ( 2.375 42.937 -7.244) 43.608 8.240 ( 11.492 1.288 5.631) 12.862 8.504 ( -2.066 -14.613 -4.521) 15.435 8.720 ( 1.718 -6.385 -3.364) 7.418 8.879 ( 6.129 12.301 1.108) 13.788 8.979 ( 7.322 17.633 -13.960) 23.652 9.061 ( 3.428 37.498 3.232) 37.792 9.368 ( 4.255 11.931 -6.175) 14.092 9.492 ( -3.544 8.624 0.951) 9.373 9.817 ( -2.825 8.161 6.636) 10.892 9.885 ( -1.670 15.264 -8.404) 17.505 10.009 ( -2.817 9.711 -2.247) 10.358 10.275 ( -4.904 11.053 12.928) 17.702 10.476 ( 0.113 -4.042 2.948) 5.004 10.725 ( 3.821 12.167 -1.118) 12.801 10.956 ( -2.196 12.465 1.539) 12.750 11.096 ( 0.235 10.624 10.527) 14.958 11.207 ( 2.027 5.582 5.892) 8.365 11.347 ( -6.812 0.393 0.195) 6.826 11.647 ( 3.256 12.733 4.555) 13.910 11.923 ( -2.304 6.167 -5.149) 8.358 12.240 ( 0.044 9.656 6.883) 11.858 12.412 ( -1.057 9.304 -11.212) 14.608 12.705 ( -6.958 4.946 3.307) 9.155 12.799 ( 0.625 -0.582 -1.923) 2.105 13.060 ( 0.424 -5.560 10.648) 12.020 13.278 ( -2.743 21.360 -7.623) 22.845 13.484 ( 8.997 -2.682 9.463) 13.330 13.609 ( -0.013 -6.499 10.965) 12.746 13.878 ( 0.762 -5.867 1.967) 6.235 14.077 ( 1.769 0.422 -1.393) 2.291 14.154 ( 1.892 -27.283 7.254) 28.295 14.291 ( -1.784 -8.675 -2.705) 9.261 14.546 ( 17.139 -11.974 -16.547) 26.663 14.744 ( -2.148 -9.010 -4.329) 10.224 15.470 ( -2.337 -21.673 -23.034) 31.713 16.074 ( 2.223 -4.924 2.884) 6.124 16.588 ( -7.967 -39.305 -5.554) 40.487 17.056 ( -13.546 1.893 5.887) 14.891 17.180 ( -3.457 -13.656 -4.558) 14.806 17.327 ( -2.983 -14.721 -4.120) 15.575 17.708 ( -17.424 7.428 -12.416) 22.648 17.976 ( -3.481 -6.439 0.657) 7.349 18.266 ( 1.508 -15.934 4.521) 16.631 18.364 ( 6.332 0.263 -7.992) 10.200 18.536 ( 4.417 -10.313 6.474) 12.953 18.594 ( 4.480 -9.149 12.952) 16.478 19.268 ( 3.830 -8.169 4.202) 9.953 19.669 ( -2.758 -9.947 -0.842) 10.356 19.765 ( -1.773 -20.621 -2.650) 20.866 20.161 ( 13.033 -7.875 -5.083) 16.054 20.267 ( 16.667 -4.809 -6.767) 18.620 21.303 ( -0.096 17.911 -0.576) 17.920 21.501 ( 0.358 10.866 -1.913) 11.039 21.571 ( 5.950 7.649 2.602) 10.034 22.171 ( -1.055 -0.066 -12.736) 12.779 23.401 ( 0.534 2.595 9.097) 9.475 23.611 ( -1.652 5.805 4.825) 7.727 24.292 ( 1.417 -9.221 8.913) 12.903 24.362 ( 1.026 -20.772 8.369) 22.417 25.968 ( 1.134 3.990 4.543) 6.152 26.055 ( -2.257 -0.522 3.330) 4.057 26.109 ( 0.528 -1.317 1.179) 1.845 26.406 ( -3.312 -2.312 0.078) 4.040 26.640 ( 2.670 6.863 0.410) 7.375 26.764 ( 6.774 4.830 2.028) 8.563 27.001 ( -0.655 10.882 -5.543) 12.230 27.534 ( -3.729 8.923 -20.348) 22.530 28.222 ( 0.158 15.080 2.475) 15.283 28.347 ( 3.089 15.068 -1.765) 15.482 29.495 ( -19.888 3.600 4.306) 20.665 29.796 ( -10.299 -8.186 -6.268) 14.573 33.586 ( 1.413 5.367 2.842) 6.235 33.674 ( 0.953 5.235 0.283) 5.328 34.636 ( 3.581 -10.119 8.549) 13.723 35.060 ( 2.648 -22.524 1.119) 22.707 ======================= Grid point 142 (51/80) ======================= q-point: ( 0.33 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.996 ( 7.068 28.283 24.518) 38.093 3.242 ( 8.660 23.859 1.964) 25.458 3.432 ( 5.431 13.042 25.801) 29.416 4.224 ( 12.016 0.871 4.845) 12.985 4.335 ( -4.517 6.386 3.168) 8.439 4.521 ( 0.839 9.507 1.190) 9.618 4.640 ( -0.972 8.586 9.125) 12.567 4.810 ( -4.272 9.398 8.441) 13.335 5.554 ( 5.772 21.056 4.362) 22.264 5.755 ( 3.680 10.845 3.832) 12.077 5.886 ( -2.782 14.122 9.373) 17.176 6.021 ( -13.081 41.933 -2.691) 44.009 6.349 ( 6.004 -4.662 -14.008) 15.938 6.533 ( -9.526 -5.946 1.231) 11.296 6.645 ( -12.651 5.223 -2.307) 13.880 6.942 ( -24.384 24.607 -34.404) 48.823 7.284 ( 19.242 6.858 -6.063) 21.308 7.488 ( 8.205 16.068 -3.566) 18.391 7.811 ( 11.521 -19.390 -0.199) 22.556 7.959 ( 6.322 -10.932 -4.786) 13.505 8.252 ( 1.933 45.451 -5.613) 45.837 8.402 ( -0.090 -17.454 -2.486) 17.630 8.482 ( -0.516 -1.590 3.709) 4.068 8.639 ( -7.868 -2.802 3.730) 9.147 8.878 ( -1.047 7.239 -3.252) 8.004 9.020 ( 1.727 31.742 8.767) 32.975 9.228 ( 9.125 14.233 1.368) 16.962 9.417 ( -4.620 25.894 -8.445) 27.625 9.424 ( -9.505 -2.504 7.501) 12.364 9.611 ( -10.486 10.169 4.549) 15.299 9.816 ( 1.706 11.859 6.159) 13.472 10.106 ( -2.720 18.249 -3.292) 18.742 10.213 ( 5.465 4.557 13.055) 14.868 10.472 ( 2.273 7.509 -5.392) 9.519 10.753 ( -9.909 3.375 6.208) 12.170 10.788 ( 5.691 8.003 -0.856) 9.857 11.165 ( -0.883 11.314 9.163) 14.586 11.234 ( -3.712 -0.897 3.940) 5.487 11.375 ( 13.377 1.021 -8.799) 16.044 11.736 ( 2.140 14.609 3.960) 15.287 11.841 ( -4.312 10.214 7.903) 13.615 12.162 ( -14.933 6.689 -16.257) 23.066 12.349 ( 8.231 17.910 1.001) 19.736 12.652 ( -2.216 20.753 2.276) 20.994 12.802 ( 0.562 1.030 -7.844) 7.931 13.035 ( -7.208 1.642 -8.886) 11.559 13.292 ( 8.398 2.940 5.980) 10.720 13.584 ( -4.278 -9.514 14.200) 17.620 13.657 ( 7.607 -12.544 -1.619) 14.759 13.916 ( 0.414 -0.385 4.047) 4.086 14.114 ( 3.463 -7.614 4.811) 9.649 14.235 ( 5.227 -20.884 -0.983) 21.551 14.312 ( 2.617 -8.281 -5.795) 10.440 14.593 ( -8.645 -6.212 1.891) 10.812 14.945 ( 15.316 -12.269 -17.679) 26.413 15.392 ( -5.186 -22.609 -22.964) 32.641 16.123 ( 2.665 -10.388 -0.906) 10.763 16.395 ( -8.935 -33.966 -3.850) 35.332 16.822 ( -5.409 5.655 2.988) 8.377 17.120 ( -2.525 -11.975 -7.543) 14.376 17.165 ( -12.527 -6.875 -12.749) 19.150 17.333 ( -11.497 4.891 -9.676) 15.803 17.998 ( 4.748 -13.398 7.607) 16.122 18.239 ( -3.601 -13.403 7.512) 15.781 18.505 ( 5.612 -8.406 -5.689) 11.599 18.593 ( 1.149 -9.954 -4.167) 10.852 18.815 ( 12.978 -14.462 21.954) 29.318 19.273 ( -4.640 -12.840 9.533) 16.652 19.663 ( 2.642 -7.639 -2.667) 8.512 19.758 ( 0.169 -11.704 -2.891) 12.056 20.411 ( 9.245 -3.674 -2.011) 10.149 20.530 ( 6.080 -2.810 -3.186) 7.417 21.328 ( 2.840 15.380 -1.354) 15.699 21.489 ( -1.839 10.828 -3.401) 11.497 21.758 ( 10.438 2.200 -1.560) 10.781 22.117 ( -4.280 -1.254 -9.586) 10.573 23.427 ( 2.001 3.463 8.124) 9.055 23.558 ( -3.077 5.330 5.478) 8.239 24.333 ( 2.155 -12.387 10.051) 16.097 24.382 ( 0.439 -19.043 10.393) 21.699 25.983 ( 0.068 2.947 2.593) 3.926 26.007 ( -1.855 0.665 2.765) 3.395 26.142 ( 2.871 -1.706 3.466) 4.813 26.321 ( -4.319 -2.458 3.663) 6.174 26.734 ( 5.442 9.273 -2.589) 11.059 26.922 ( 4.451 9.695 -4.135) 11.441 26.979 ( 1.626 10.178 -2.388) 10.580 27.393 ( -9.140 11.803 -13.953) 20.434 28.256 ( 3.395 13.470 5.423) 14.912 28.423 ( 1.965 12.672 1.084) 12.869 29.128 ( -9.460 2.148 6.121) 11.471 29.498 ( -15.930 -6.000 -6.396) 18.184 33.624 ( 1.920 5.568 2.659) 6.462 33.682 ( -0.286 5.453 1.373) 5.631 34.761 ( 7.516 -12.289 2.059) 14.552 35.058 ( -3.257 -20.125 -3.436) 20.674 ======================= Grid point 143 (52/80) ======================= q-point: (-0.50 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.137 ( -7.102 23.221 19.062) 30.871 3.137 ( 7.102 23.221 19.062) 30.871 3.933 ( -27.008 7.929 1.007) 28.166 3.933 ( 27.008 7.929 1.007) 28.166 4.390 ( -6.466 2.296 3.951) 7.918 4.390 ( 6.466 2.296 3.951) 7.918 4.797 ( -4.637 7.452 17.391) 19.480 4.797 ( 4.637 7.452 17.391) 19.480 5.692 ( -7.621 33.621 7.570) 35.295 5.692 ( 7.621 33.621 7.570) 35.295 5.886 ( -1.139 17.221 -2.771) 17.480 5.886 ( 1.139 17.221 -2.771) 17.480 6.421 ( -5.647 0.202 -8.137) 9.907 6.421 ( 5.647 0.202 -8.137) 9.907 6.562 ( -10.590 5.558 -21.374) 24.492 6.562 ( 10.590 5.558 -21.374) 24.492 7.563 ( -3.755 15.294 -5.320) 16.623 7.563 ( 3.755 15.294 -5.320) 16.623 8.030 ( -5.201 -18.389 -10.641) 21.873 8.030 ( 5.201 -18.389 -10.641) 21.873 8.335 ( -3.684 6.961 0.560) 7.896 8.335 ( 3.684 6.961 0.560) 7.896 8.453 ( -5.610 15.850 11.980) 20.645 8.453 ( 5.610 15.850 11.980) 20.645 8.985 ( -11.615 5.760 5.854) 14.225 8.985 ( 11.615 5.760 5.854) 14.225 9.228 ( -8.741 22.051 -2.513) 23.853 9.228 ( 8.741 22.051 -2.513) 23.853 9.479 ( -8.903 7.379 8.574) 14.396 9.479 ( 8.903 7.379 8.574) 14.396 9.910 ( -8.434 8.845 -0.025) 12.221 9.910 ( 8.434 8.845 -0.025) 12.221 10.399 ( -9.992 10.422 3.190) 14.787 10.399 ( 9.992 10.422 3.190) 14.787 10.838 ( -11.908 8.372 -3.042) 14.871 10.838 ( 11.908 8.372 -3.042) 14.871 11.111 ( -6.314 3.307 12.332) 14.244 11.111 ( 6.314 3.307 12.332) 14.244 11.659 ( -9.724 4.976 -1.382) 11.011 11.659 ( 9.724 4.976 -1.382) 11.011 11.886 ( -8.076 10.830 -8.461) 15.941 11.886 ( 8.076 10.830 -8.461) 15.941 12.534 ( -7.693 22.247 1.786) 23.607 12.534 ( 7.693 22.247 1.786) 23.607 12.878 ( -5.807 4.321 -10.419) 12.687 12.878 ( 5.807 4.321 -10.419) 12.687 13.464 ( -6.378 -2.888 15.657) 17.151 13.464 ( 6.378 -2.888 15.657) 17.151 13.827 ( -7.481 -17.227 -12.160) 22.374 13.827 ( 7.481 -17.227 -12.160) 22.374 14.257 ( -5.812 -7.276 10.590) 14.102 14.257 ( 5.812 -7.276 10.590) 14.102 14.396 ( -6.778 -6.089 -4.290) 10.070 14.396 ( 6.778 -6.089 -4.290) 10.070 15.225 ( -10.374 -18.750 -20.348) 29.551 15.225 ( 10.374 -18.750 -20.348) 29.551 16.222 ( -6.649 -22.602 -1.999) 23.645 16.222 ( 6.649 -22.602 -1.999) 23.645 16.863 ( -9.045 4.972 -6.658) 12.282 16.863 ( 9.045 4.972 -6.658) 12.282 17.174 ( -4.790 -9.310 -9.199) 13.937 17.174 ( 4.790 -9.310 -9.199) 13.937 18.128 ( -6.212 -13.937 8.895) 17.662 18.128 ( 6.212 -13.937 8.895) 17.662 18.587 ( -1.935 -10.808 -4.242) 11.770 18.587 ( 1.935 -10.808 -4.242) 11.770 19.087 ( -11.390 -14.594 16.427) 24.750 19.087 ( 11.390 -14.594 16.427) 24.750 19.735 ( -2.658 -6.527 -3.745) 7.980 19.735 ( 2.658 -6.527 -3.745) 7.980 20.548 ( -3.338 -1.621 -0.838) 3.804 20.548 ( 3.338 -1.621 -0.838) 3.804 21.416 ( -4.485 12.301 -3.191) 13.476 21.416 ( 4.485 12.301 -3.191) 13.476 21.976 ( -8.742 -1.152 -5.392) 10.335 21.976 ( 8.742 -1.152 -5.392) 10.335 23.486 ( -3.278 4.480 6.711) 8.710 23.486 ( 3.278 4.480 6.711) 8.710 24.373 ( -1.279 -16.091 11.059) 19.567 24.373 ( 1.279 -16.091 11.059) 19.567 25.983 ( -0.338 1.853 1.955) 2.714 25.983 ( 0.338 1.853 1.955) 2.714 26.225 ( -4.376 -2.149 4.626) 6.721 26.225 ( 4.376 -2.149 4.626) 6.721 26.856 ( -5.387 11.636 -4.564) 13.611 26.856 ( 5.387 11.636 -4.564) 13.611 27.168 ( -10.756 10.888 -5.957) 16.424 27.168 ( 10.756 10.888 -5.957) 16.424 28.366 ( -5.816 12.970 6.817) 15.765 28.366 ( 5.816 12.970 6.817) 15.765 29.175 ( -11.640 -3.143 -3.626) 12.590 29.175 ( 11.640 -3.143 -3.626) 12.590 33.662 ( -1.442 5.633 2.236) 6.230 33.662 ( 1.442 5.633 2.236) 6.230 34.933 ( -7.620 -15.962 -2.604) 17.879 34.933 ( 7.620 -15.962 -2.604) 17.879 ======================= Grid point 147 (53/80) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.379 ( 0.000 25.968 24.053) 35.396 3.419 ( 0.000 40.761 7.953) 41.530 3.808 ( 0.000 11.777 12.946) 17.501 4.145 ( 0.000 19.174 15.387) 24.584 4.445 ( 0.000 2.237 25.001) 25.101 4.500 ( 0.000 -1.020 2.648) 2.838 5.026 ( 0.000 11.151 -16.289) 19.740 5.238 ( 0.000 6.060 21.436) 22.276 5.490 ( 0.000 -6.245 1.918) 6.532 5.787 ( 0.000 -4.799 -8.648) 9.890 6.002 ( 0.000 14.576 7.786) 16.526 6.299 ( 0.000 -4.560 2.964) 5.438 6.587 ( 0.000 -6.365 -6.979) 9.445 6.754 ( 0.000 0.709 -20.440) 20.452 6.927 ( 0.000 -13.606 -3.692) 14.098 7.220 ( 0.000 10.390 -12.718) 16.422 7.327 ( 0.000 -3.520 -2.383) 4.251 7.552 ( 0.000 -8.789 -4.133) 9.713 7.653 ( 0.000 43.852 19.996) 48.196 7.912 ( 0.000 -13.407 -4.663) 14.194 8.004 ( 0.000 -24.727 -9.732) 26.574 8.392 ( 0.000 7.554 14.397) 16.259 8.787 ( 0.000 21.649 -6.551) 22.619 8.940 ( 0.000 9.699 4.600) 10.734 9.205 ( 0.000 40.185 -21.481) 45.566 9.296 ( 0.000 22.998 -2.283) 23.111 9.491 ( 0.000 9.356 1.213) 9.434 9.698 ( 0.000 9.067 -5.274) 10.489 9.748 ( 0.000 1.442 -9.351) 9.462 9.980 ( 0.000 -5.479 6.590) 8.571 10.195 ( 0.000 48.203 -3.494) 48.329 10.306 ( 0.000 6.518 8.045) 10.353 10.592 ( 0.000 34.034 -5.702) 34.508 10.633 ( 0.000 19.735 -28.558) 34.714 11.187 ( 0.000 28.349 8.137) 29.494 11.245 ( 0.000 17.942 2.309) 18.090 11.343 ( 0.000 2.720 4.889) 5.594 11.394 ( 0.000 4.217 -1.824) 4.595 11.580 ( 0.000 27.814 8.663) 29.132 11.775 ( 0.000 3.102 3.489) 4.669 12.154 ( 0.000 13.254 -10.205) 16.728 12.167 ( 0.000 -14.044 14.077) 19.884 12.440 ( 0.000 -15.996 26.810) 31.220 12.573 ( 0.000 0.677 -0.737) 1.001 12.894 ( 0.000 -5.324 12.837) 13.897 12.970 ( 0.000 -8.572 -0.134) 8.573 13.080 ( 0.000 -7.549 4.692) 8.888 13.425 ( 0.000 -5.058 13.165) 14.104 13.629 ( 0.000 -14.822 -9.659) 17.691 13.809 ( 0.000 3.315 1.832) 3.788 14.017 ( 0.000 1.437 -3.009) 3.334 14.076 ( 0.000 -7.129 -20.900) 22.083 14.199 ( 0.000 10.463 1.475) 10.567 14.285 ( 0.000 10.615 -2.779) 10.972 14.685 ( 0.000 1.781 -9.006) 9.180 15.116 ( 0.000 -15.661 -23.801) 28.491 15.867 ( 0.000 -15.932 2.649) 16.151 15.902 ( 0.000 -36.634 2.369) 36.710 16.712 ( 0.000 -35.053 3.209) 35.200 16.804 ( 0.000 -30.599 -0.593) 30.605 17.385 ( 0.000 0.292 12.261) 12.265 17.535 ( 0.000 -22.198 12.020) 25.243 17.731 ( 0.000 -17.667 4.940) 18.344 18.088 ( 0.000 -10.853 12.448) 16.514 18.316 ( 0.000 6.457 -7.615) 9.984 18.505 ( 0.000 -1.376 -9.121) 9.224 18.569 ( 0.000 6.315 -16.200) 17.387 19.100 ( 0.000 -9.976 -8.938) 13.394 19.435 ( 0.000 -14.098 -2.167) 14.264 19.528 ( 0.000 -16.168 -5.202) 16.984 19.739 ( 0.000 3.677 6.128) 7.146 20.045 ( 0.000 -0.843 -5.162) 5.231 21.592 ( 0.000 10.091 -1.246) 10.167 21.642 ( 0.000 5.883 -0.048) 5.883 21.732 ( 0.000 12.093 2.880) 12.431 22.172 ( 0.000 -1.676 -10.402) 10.536 23.456 ( 0.000 4.052 9.872) 10.672 23.739 ( 0.000 5.199 4.178) 6.670 23.998 ( 0.000 -15.002 8.175) 17.085 24.124 ( 0.000 -7.681 5.280) 9.321 26.037 ( 0.000 3.867 4.466) 5.907 26.100 ( 0.000 0.572 0.460) 0.734 26.124 ( 0.000 4.280 2.921) 5.182 26.406 ( 0.000 -2.657 -2.649) 3.752 26.717 ( 0.000 3.530 3.860) 5.231 26.728 ( 0.000 2.765 2.182) 3.522 27.188 ( 0.000 8.982 -7.755) 11.867 27.590 ( 0.000 -3.074 -16.428) 16.713 28.563 ( 0.000 18.301 -2.110) 18.422 28.675 ( 0.000 18.100 -3.694) 18.473 29.711 ( 0.000 -10.529 -2.416) 10.803 29.721 ( 0.000 -5.070 -3.806) 6.340 33.696 ( 0.000 7.746 3.213) 8.386 33.784 ( 0.000 7.666 0.364) 7.675 34.399 ( 0.000 -10.917 9.805) 14.674 34.626 ( 0.000 -17.803 6.073) 18.810 ======================= Grid point 148 (54/80) ======================= q-point: ( 0.17 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.398 ( 6.409 25.841 16.802) 31.482 3.552 ( 4.536 38.362 15.068) 41.463 3.875 ( 5.693 10.855 20.826) 24.165 4.082 ( -3.206 14.785 9.617) 17.927 4.448 ( -0.133 1.925 16.922) 17.031 4.531 ( 2.695 1.334 8.006) 8.552 4.915 ( -5.523 8.240 -2.510) 10.232 5.206 ( -6.786 5.338 7.243) 11.269 5.553 ( 6.299 -0.721 1.881) 6.613 5.795 ( 1.355 -2.010 -6.873) 7.288 6.024 ( 0.408 4.446 -3.188) 5.486 6.226 ( -2.414 1.603 -1.072) 3.090 6.588 ( -6.084 -3.728 -0.322) 7.143 6.842 ( -0.838 -11.455 -12.388) 16.893 6.889 ( 5.125 5.988 -6.183) 10.018 7.085 ( -2.684 -14.042 6.570) 15.734 7.353 ( -3.859 28.327 -0.695) 28.597 7.622 ( 4.677 -9.893 -12.770) 16.817 7.765 ( 9.902 25.343 12.970) 30.142 7.822 ( 0.176 -22.153 -15.596) 27.093 8.153 ( -3.302 6.476 1.151) 7.360 8.191 ( -7.974 5.070 -10.218) 13.917 8.720 ( -0.200 19.357 -0.653) 19.369 9.039 ( 4.587 10.201 -6.486) 12.929 9.077 ( -6.192 17.492 -4.701) 19.142 9.382 ( -3.041 4.062 -5.477) 7.467 9.413 ( -4.624 15.075 0.447) 15.775 9.690 ( 9.077 22.871 -1.581) 24.657 9.856 ( 0.372 -4.176 4.852) 6.413 10.006 ( -1.834 6.726 -3.272) 7.701 10.097 ( -0.183 33.396 8.894) 34.560 10.432 ( 4.962 8.023 5.096) 10.722 10.545 ( 2.984 39.111 -9.035) 40.252 10.699 ( 0.890 27.391 -8.819) 28.790 11.071 ( -15.100 14.926 -0.247) 21.233 11.211 ( -1.537 16.009 -0.301) 16.085 11.335 ( -3.331 12.167 -0.922) 12.648 11.371 ( 3.836 9.723 1.487) 10.557 11.540 ( -4.527 31.322 12.185) 33.912 11.862 ( 7.343 5.590 4.771) 10.390 12.045 ( 2.335 0.319 0.023) 2.357 12.262 ( 1.058 -9.258 14.784) 17.475 12.550 ( 12.661 -9.271 4.132) 16.228 12.578 ( -7.882 1.057 -5.400) 9.613 12.792 ( -2.347 3.116 3.288) 5.102 12.992 ( -3.295 -7.304 5.516) 9.728 13.168 ( 9.048 -22.058 13.382) 27.340 13.347 ( -5.874 -11.994 2.151) 13.527 13.557 ( -1.509 1.505 0.546) 2.200 13.807 ( -1.902 -3.211 -0.475) 3.762 14.042 ( -1.283 -2.395 -3.506) 4.436 14.159 ( 1.112 8.778 -6.736) 11.120 14.221 ( -1.848 11.796 -6.198) 13.453 14.336 ( 13.432 -6.888 -10.625) 18.459 14.681 ( -0.322 -3.717 -4.410) 5.777 15.088 ( -2.743 -14.422 -23.343) 27.576 15.769 ( -3.828 -24.344 -1.397) 24.683 15.971 ( 0.827 -24.196 -2.345) 24.324 16.686 ( -2.631 -33.270 2.078) 33.438 16.778 ( -2.046 -28.371 1.514) 28.485 17.193 ( -10.465 -3.038 11.647) 15.950 17.518 ( -2.791 -18.548 6.648) 19.900 17.812 ( 2.753 -11.322 8.802) 14.603 18.044 ( -6.886 -6.379 3.110) 9.888 18.347 ( 4.599 -6.606 3.859) 8.926 18.378 ( -7.654 -1.807 -12.852) 15.067 18.508 ( -3.586 0.616 -8.500) 9.246 19.085 ( -1.600 -12.207 -6.406) 13.878 19.475 ( 7.371 -6.868 0.279) 10.079 19.559 ( 4.177 -2.115 -2.310) 5.221 20.010 ( 16.081 -5.251 1.099) 16.952 20.217 ( 12.971 -3.079 -5.419) 14.390 21.588 ( -0.261 10.862 -0.850) 10.898 21.672 ( 1.982 5.933 -2.571) 6.763 21.723 ( 0.053 9.512 3.695) 10.205 22.151 ( -2.050 -2.276 -9.453) 9.937 23.467 ( 1.166 4.455 9.445) 10.507 23.723 ( -1.620 5.602 4.051) 7.100 24.013 ( 1.359 -15.173 8.704) 17.545 24.123 ( -0.156 -8.493 6.101) 10.459 26.046 ( 0.568 3.374 4.515) 5.665 26.085 ( -1.169 2.687 1.393) 3.244 26.115 ( -0.531 2.148 1.844) 2.880 26.361 ( -3.539 -2.638 0.113) 4.415 26.758 ( 4.635 5.127 0.248) 6.916 26.832 ( 7.705 2.312 1.699) 8.221 27.198 ( 0.465 9.540 -8.061) 12.499 27.585 ( -1.061 -1.928 -16.404) 16.551 28.548 ( -1.005 17.270 -0.605) 17.310 28.657 ( -1.031 15.836 -2.647) 16.089 29.512 ( -15.761 -1.986 0.848) 15.908 29.624 ( -8.953 -9.191 -2.835) 13.140 33.716 ( 1.742 8.083 3.025) 8.805 33.802 ( 1.247 8.043 0.484) 8.153 34.422 ( 2.337 -11.684 7.252) 13.949 34.658 ( 2.011 -19.077 3.731) 19.542 ======================= Grid point 149 (55/80) ======================= q-point: ( 0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.551 ( 2.089 24.438 23.036) 33.649 3.690 ( 12.574 20.813 12.008) 27.120 3.806 ( -5.506 28.567 17.329) 33.863 4.224 ( 9.983 -0.223 8.187) 12.913 4.386 ( -6.605 -0.077 7.922) 10.315 4.661 ( 7.223 6.805 7.995) 12.744 4.779 ( -9.402 6.979 8.812) 14.654 5.014 ( -4.468 7.599 5.229) 10.250 5.733 ( 9.074 -2.756 1.110) 9.548 5.856 ( 5.161 -0.863 -2.059) 5.623 6.027 ( 0.386 2.598 5.962) 6.515 6.320 ( 7.676 1.336 -10.518) 13.089 6.360 ( -11.234 1.469 -6.373) 13.000 6.575 ( -13.717 2.607 4.620) 14.707 6.963 ( -6.986 22.806 -8.458) 25.307 7.187 ( 8.163 -20.661 0.270) 22.217 7.273 ( -4.411 6.119 -8.488) 11.355 7.665 ( -3.837 -18.905 -16.973) 25.694 7.825 ( -2.542 -0.040 -9.987) 10.306 7.957 ( 10.042 29.935 -2.401) 31.666 8.012 ( 5.781 1.901 -16.076) 17.189 8.220 ( 1.744 2.965 0.375) 3.461 8.817 ( 4.417 7.880 -1.343) 9.132 8.984 ( -1.513 16.891 -7.509) 18.547 9.000 ( -6.323 8.007 -12.689) 16.281 9.242 ( 1.856 2.485 0.580) 3.156 9.460 ( -0.268 13.758 7.319) 15.586 9.708 ( -10.462 13.793 11.362) 20.707 9.848 ( -2.069 9.937 9.395) 13.831 9.933 ( -0.931 19.791 -4.109) 20.235 10.222 ( 8.494 18.952 15.348) 25.824 10.444 ( -4.178 32.476 9.692) 34.147 10.513 ( -6.053 14.240 2.133) 15.619 10.732 ( 1.041 7.410 7.449) 10.559 10.872 ( 1.535 32.279 -7.905) 33.269 11.090 ( -4.214 17.347 -3.364) 18.166 11.324 ( -2.855 14.433 7.860) 16.681 11.420 ( -0.306 15.715 6.323) 16.942 11.555 ( 9.242 21.766 -2.697) 23.800 11.992 ( 4.352 8.305 6.408) 11.357 12.046 ( -2.305 6.115 9.186) 11.273 12.299 ( -12.062 7.657 -14.843) 20.602 12.511 ( 12.331 -10.120 0.687) 15.967 12.705 ( -3.492 -10.739 -9.439) 14.718 12.797 ( 7.518 -2.314 3.572) 8.639 12.937 ( -1.740 -5.867 6.471) 8.906 13.247 ( 1.773 -11.501 -6.416) 13.289 13.395 ( 8.804 -11.093 11.458) 18.217 13.626 ( 7.736 -4.380 5.792) 10.610 13.703 ( -6.786 -1.389 6.343) 9.392 13.863 ( -13.700 -1.158 -15.819) 20.959 14.077 ( -7.312 -11.899 2.700) 14.224 14.344 ( 9.678 14.622 -1.621) 17.610 14.589 ( 4.426 -3.391 -6.997) 8.947 14.701 ( 5.204 -14.411 -9.354) 17.951 14.997 ( -5.441 -13.177 -23.979) 27.897 15.733 ( 0.656 -21.532 -7.713) 22.881 15.915 ( -5.141 -20.657 -8.708) 22.999 16.613 ( -2.590 -26.793 0.722) 26.928 16.721 ( -3.894 -27.559 -2.716) 27.965 17.056 ( -0.649 1.256 10.322) 10.418 17.441 ( -8.735 -3.421 0.787) 9.413 17.694 ( -3.888 -12.197 6.064) 14.165 17.922 ( -5.980 -16.421 9.929) 20.100 18.295 ( 2.263 -10.535 -2.994) 11.183 18.417 ( -2.373 -4.124 -8.557) 9.791 18.576 ( 10.362 -12.501 8.464) 18.310 18.993 ( -6.828 -16.096 1.529) 17.551 19.675 ( 8.640 6.964 -2.163) 11.306 19.699 ( 6.948 5.369 -3.084) 9.307 20.309 ( 11.072 -6.577 -0.438) 12.885 20.456 ( 6.622 -5.622 -3.955) 9.545 21.588 ( 0.663 11.367 -0.967) 11.428 21.671 ( -1.523 8.320 -0.465) 8.471 21.797 ( 6.003 1.580 -0.735) 6.251 22.077 ( -4.860 -3.147 -6.856) 8.974 23.510 ( 2.809 5.245 8.159) 10.098 23.667 ( -3.392 5.920 4.686) 8.277 24.052 ( 2.045 -14.651 9.279) 17.462 24.115 ( -0.640 -10.572 7.830) 13.171 26.044 ( -0.597 2.731 2.629) 3.837 26.059 ( -1.192 4.531 1.990) 5.091 26.129 ( 2.117 -0.201 2.893) 3.590 26.276 ( -4.010 -2.354 2.753) 5.404 26.898 ( 7.716 7.409 -2.682) 11.029 27.038 ( 10.800 3.054 -2.702) 11.544 27.181 ( -2.510 10.178 -7.583) 12.938 27.505 ( -6.928 1.072 -14.040) 15.693 28.547 ( 1.642 15.340 3.104) 15.737 28.666 ( 1.688 11.711 -0.172) 11.833 29.162 ( -12.990 1.104 4.336) 13.739 29.369 ( -13.506 -7.235 -3.091) 15.631 33.762 ( 2.243 8.761 2.610) 9.412 33.819 ( 0.094 8.862 1.328) 8.961 34.502 ( 4.792 -14.181 2.612) 15.195 34.672 ( -1.141 -19.412 0.248) 19.447 ======================= Grid point 150 (56/80) ======================= q-point: (-0.50 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.618 ( -5.377 24.270 21.647) 32.963 3.618 ( 5.377 24.270 21.647) 32.963 4.121 ( -18.115 9.836 5.015) 21.215 4.121 ( 18.115 9.836 5.015) 21.215 4.429 ( -11.292 4.420 4.851) 13.061 4.429 ( 11.292 4.420 4.851) 13.061 4.931 ( -7.496 5.735 15.095) 17.803 4.931 ( 7.496 5.735 15.095) 17.803 5.903 ( -6.185 -4.599 5.860) 9.683 5.903 ( 6.185 -4.599 5.860) 9.683 6.116 ( -11.576 2.781 -4.690) 12.796 6.116 ( 11.576 2.781 -4.690) 12.796 6.408 ( -1.809 5.526 0.767) 5.865 6.408 ( 1.809 5.526 0.767) 5.865 6.985 ( -12.166 24.302 -19.860) 33.660 6.985 ( 12.166 24.302 -19.860) 33.660 7.460 ( -12.725 -25.104 -5.523) 28.682 7.460 ( 12.725 -25.104 -5.523) 28.682 7.941 ( -8.077 -5.660 -9.732) 13.855 7.941 ( 8.077 -5.660 -9.732) 13.855 8.213 ( -7.422 17.612 -11.160) 22.132 8.213 ( 7.422 17.612 -11.160) 22.132 8.846 ( -3.128 1.614 -13.079) 13.544 8.846 ( 3.128 1.614 -13.079) 13.544 9.232 ( -16.751 23.243 9.300) 30.122 9.232 ( 16.751 23.243 9.300) 30.122 9.420 ( -5.968 6.299 8.958) 12.472 9.420 ( 5.968 6.299 8.958) 12.472 9.873 ( -4.056 18.343 4.225) 19.255 9.873 ( 4.056 18.343 4.225) 19.255 10.345 ( -5.660 28.601 9.253) 30.589 10.345 ( 5.660 28.601 9.253) 30.589 10.586 ( -11.392 9.529 12.176) 19.205 10.586 ( 11.392 9.529 12.176) 19.205 11.012 ( -6.837 16.219 -0.904) 17.624 11.012 ( 6.837 16.219 -0.904) 17.624 11.339 ( -5.037 20.403 6.923) 22.127 11.339 ( 5.037 20.403 6.923) 22.127 11.834 ( -13.940 13.125 -4.084) 19.577 11.834 ( 13.940 13.125 -4.084) 19.577 12.118 ( -5.504 12.486 -0.724) 13.665 12.118 ( 5.504 12.486 -0.724) 13.665 12.643 ( -3.341 -21.002 -7.613) 22.588 12.643 ( 3.341 -21.002 -7.613) 22.588 12.906 ( -2.240 5.138 8.403) 10.101 12.906 ( 2.240 5.138 8.403) 10.101 13.468 ( -14.735 -7.117 -12.552) 20.624 13.468 ( 14.735 -7.117 -12.552) 20.624 13.579 ( -7.810 -0.291 0.424) 7.827 13.579 ( 7.810 -0.291 0.424) 7.827 13.861 ( -11.873 -17.381 9.117) 22.939 13.861 ( 11.873 -17.381 9.117) 22.939 14.534 ( -6.712 6.385 2.149) 9.510 14.534 ( 6.712 6.385 2.149) 9.510 14.862 ( -7.019 -16.171 -22.865) 28.872 14.862 ( 7.019 -16.171 -22.865) 28.872 15.796 ( -4.873 -19.838 -10.046) 22.765 15.796 ( 4.873 -19.838 -10.046) 22.765 16.623 ( -3.564 -25.044 -3.503) 25.538 16.623 ( 3.564 -25.044 -3.503) 25.538 17.177 ( -10.886 4.844 3.800) 12.507 17.177 ( 10.886 4.844 3.800) 12.507 17.772 ( -6.983 -20.622 10.909) 24.353 17.772 ( 6.983 -20.622 10.909) 24.353 18.362 ( -2.835 -8.544 -4.933) 10.265 18.362 ( 2.835 -8.544 -4.933) 10.265 18.805 ( -10.104 -15.251 7.547) 19.789 18.805 ( 10.104 -15.251 7.547) 19.789 19.782 ( -0.481 9.767 -3.622) 10.428 19.782 ( 0.481 9.767 -3.622) 10.428 20.477 ( -4.068 -6.157 -2.013) 7.649 20.477 ( 4.068 -6.157 -2.013) 7.649 21.625 ( -2.389 9.418 -0.681) 9.740 21.625 ( 2.389 9.418 -0.681) 9.740 21.945 ( -6.979 -2.212 -3.594) 8.156 21.945 ( 6.979 -2.212 -3.594) 8.156 23.585 ( -3.895 5.785 6.342) 9.426 23.585 ( 3.895 5.785 6.342) 9.426 24.092 ( -1.516 -12.952 9.069) 15.884 24.092 ( 1.516 -12.952 9.069) 15.884 26.040 ( -0.413 3.627 1.817) 4.078 26.040 ( 0.413 3.627 1.817) 4.078 26.193 ( -3.563 -1.467 3.644) 5.303 26.193 ( 3.563 -1.467 3.644) 5.303 27.065 ( -6.968 9.707 -5.887) 13.320 27.065 ( 6.968 9.707 -5.887) 13.320 27.296 ( -11.481 2.944 -7.906) 14.248 27.296 ( 11.481 2.944 -7.906) 14.248 28.632 ( -5.178 13.668 4.882) 15.410 28.632 ( 5.178 13.668 4.882) 15.410 29.107 ( -8.097 -4.011 -1.523) 9.163 29.107 ( 8.097 -4.011 -1.523) 9.163 33.804 ( -1.445 9.162 2.106) 9.511 33.804 ( 1.445 9.162 2.106) 9.511 34.608 ( -4.441 -17.262 -0.238) 17.825 34.608 ( 4.441 -17.262 -0.238) 17.825 ======================= Grid point 154 (57/80) ======================= q-point: ( 0.00 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.805 ( 0.000 15.770 21.904) 26.990 3.895 ( 0.000 6.309 18.842) 19.870 4.256 ( 0.000 31.827 1.374) 31.857 4.343 ( 0.000 2.727 19.274) 19.466 4.445 ( 0.000 -2.234 9.307) 9.572 4.644 ( 0.000 16.052 12.312) 20.231 4.895 ( 0.000 -19.008 -10.211) 21.577 5.074 ( 0.000 -19.188 7.774) 20.703 5.544 ( 0.000 10.411 9.329) 13.979 5.717 ( 0.000 -4.803 -4.964) 6.907 6.193 ( 0.000 -3.008 4.490) 5.405 6.215 ( 0.000 1.668 2.925) 3.367 6.605 ( 0.000 5.165 0.860) 5.236 6.650 ( 0.000 -0.964 2.365) 2.554 6.887 ( 0.000 5.757 -2.994) 6.489 7.196 ( 0.000 -21.805 5.676) 22.531 7.310 ( 0.000 1.878 -21.693) 21.774 7.375 ( 0.000 3.242 -11.533) 11.980 7.498 ( 0.000 -8.472 -32.170) 33.267 7.640 ( 0.000 -13.009 -16.603) 21.093 8.565 ( 0.000 8.826 17.795) 19.864 8.597 ( 0.000 16.794 17.449) 24.218 9.034 ( 0.000 20.115 13.587) 24.274 9.268 ( 0.000 16.661 -5.323) 17.491 9.417 ( 0.000 -9.435 8.917) 12.982 9.487 ( 0.000 -10.553 -9.741) 14.361 9.795 ( 0.000 21.475 -6.238) 22.362 9.914 ( 0.000 9.407 -10.748) 14.283 9.919 ( 0.000 15.407 -2.815) 15.662 9.945 ( 0.000 10.677 -0.078) 10.677 10.334 ( 0.000 3.345 7.660) 8.359 10.893 ( 0.000 7.831 -28.610) 29.663 10.973 ( 0.000 -28.497 0.513) 28.502 11.083 ( 0.000 2.529 -20.560) 20.715 11.294 ( 0.000 25.412 2.580) 25.542 11.458 ( 0.000 13.050 7.905) 15.258 11.529 ( 0.000 8.100 2.737) 8.550 11.570 ( 0.000 -2.743 -5.530) 6.173 11.778 ( 0.000 27.925 9.378) 29.458 11.991 ( 0.000 7.831 9.881) 12.607 12.057 ( 0.000 2.536 16.320) 16.515 12.181 ( 0.000 -10.424 14.066) 17.507 12.510 ( 0.000 -1.208 10.057) 10.130 12.555 ( 0.000 14.333 -6.641) 15.797 12.788 ( 0.000 -1.556 0.233) 1.574 12.838 ( 0.000 -5.629 5.398) 7.799 13.046 ( 0.000 -26.657 -8.650) 28.026 13.050 ( 0.000 -3.637 -16.818) 17.206 13.595 ( 0.000 20.240 13.269) 24.202 13.847 ( 0.000 -9.846 -1.783) 10.006 13.977 ( 0.000 15.248 7.312) 16.910 14.167 ( 0.000 3.711 0.694) 3.775 14.220 ( 0.000 -4.809 0.997) 4.912 14.477 ( 0.000 -24.938 6.668) 25.814 14.627 ( 0.000 13.380 -20.003) 24.065 14.903 ( 0.000 -12.713 -17.828) 21.896 15.543 ( 0.000 4.911 -4.625) 6.745 15.626 ( 0.000 -1.536 -2.898) 3.280 16.096 ( 0.000 -23.260 0.283) 23.262 16.178 ( 0.000 -30.041 -7.133) 30.876 17.208 ( 0.000 -8.218 19.468) 21.132 17.259 ( 0.000 -10.689 20.220) 22.871 17.629 ( 0.000 6.812 15.673) 17.089 17.842 ( 0.000 -13.490 18.908) 23.227 18.435 ( 0.000 4.867 -16.689) 17.385 18.488 ( 0.000 -1.071 -18.775) 18.806 18.732 ( 0.000 9.599 -16.228) 18.855 18.908 ( 0.000 -8.985 -14.252) 16.848 19.253 ( 0.000 -4.496 -1.719) 4.814 19.289 ( 0.000 -8.015 -1.860) 8.228 19.862 ( 0.000 7.296 4.833) 8.752 19.986 ( 0.000 -5.142 -0.138) 5.143 21.708 ( 0.000 2.799 1.265) 3.072 21.716 ( 0.000 1.827 1.443) 2.329 21.953 ( 0.000 10.079 -2.075) 10.291 22.104 ( 0.000 -5.592 -6.243) 8.381 23.559 ( 0.000 6.880 10.143) 12.256 23.720 ( 0.000 -9.231 10.629) 14.078 23.876 ( 0.000 4.275 1.628) 4.575 23.987 ( 0.000 -6.591 3.014) 7.248 26.090 ( 0.000 1.767 2.990) 3.473 26.107 ( 0.000 -0.091 1.698) 1.701 26.230 ( 0.000 6.072 1.390) 6.229 26.336 ( 0.000 -4.700 -0.327) 4.711 26.764 ( 0.000 1.240 2.411) 2.711 26.765 ( 0.000 1.015 1.993) 2.237 27.351 ( 0.000 8.009 -9.983) 12.799 27.492 ( 0.000 -6.535 -12.658) 14.245 28.872 ( 0.000 12.321 -5.257) 13.395 28.941 ( 0.000 6.922 -6.818) 9.716 29.546 ( 0.000 -4.484 1.189) 4.639 29.591 ( 0.000 -7.092 -0.687) 7.125 33.856 ( 0.000 8.154 3.244) 8.775 33.921 ( 0.000 4.124 1.012) 4.246 34.227 ( 0.000 -4.269 7.869) 8.952 34.330 ( 0.000 -12.462 5.434) 13.595 ======================= Grid point 155 (58/80) ======================= q-point: ( 0.17 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.805 ( 1.598 16.106 20.140) 25.838 3.972 ( 3.735 -0.842 19.570) 19.941 4.274 ( 0.002 28.853 -0.627) 28.860 4.321 ( 0.081 12.882 21.007) 24.642 4.420 ( -1.691 -4.733 13.735) 14.625 4.690 ( 3.852 12.412 9.747) 16.245 4.846 ( -2.274 -12.281 -1.629) 12.595 5.079 ( -0.354 -15.898 6.322) 17.113 5.596 ( 3.565 5.597 4.691) 8.127 5.715 ( -0.034 -5.209 -1.845) 5.526 6.134 ( -3.176 5.577 5.002) 8.137 6.218 ( -1.947 -2.677 -2.251) 4.004 6.551 ( 0.683 -0.969 -3.059) 3.281 6.673 ( -4.986 -9.401 -7.049) 12.764 6.848 ( -2.178 8.501 1.369) 8.882 7.159 ( 2.159 1.165 -8.334) 8.688 7.259 ( -2.216 -13.500 -9.026) 16.389 7.439 ( 9.220 -10.145 -11.190) 17.696 7.587 ( 2.440 5.889 -16.145) 17.358 7.754 ( 2.264 -12.907 -7.563) 15.130 8.494 ( -3.898 16.694 -1.110) 17.179 8.719 ( 7.625 0.884 4.397) 8.846 8.971 ( -3.909 30.226 8.461) 31.630 9.224 ( -6.522 4.993 -8.471) 11.799 9.372 ( -5.381 3.879 0.765) 6.677 9.436 ( -8.629 18.848 -16.405) 26.435 9.606 ( 0.196 -15.116 8.099) 17.150 9.744 ( -2.664 2.241 3.407) 4.870 9.921 ( -2.788 7.478 2.576) 8.386 10.063 ( 4.161 4.735 0.875) 6.364 10.551 ( 7.796 19.312 6.487) 21.813 10.833 ( -2.039 14.188 -1.546) 14.417 10.924 ( -1.291 7.658 -13.991) 16.002 11.247 ( 4.702 -17.900 -7.043) 19.802 11.327 ( -2.164 -4.180 -0.335) 4.719 11.425 ( 3.776 17.781 -2.881) 18.404 11.507 ( -2.894 10.805 6.093) 12.738 11.595 ( 4.171 10.297 -1.974) 11.283 11.721 ( -0.967 17.517 7.301) 19.002 12.004 ( 0.424 5.751 -2.297) 6.207 12.149 ( 4.422 6.955 6.282) 10.362 12.177 ( 3.072 0.303 22.769) 22.978 12.450 ( -1.864 -5.293 10.393) 11.811 12.564 ( -0.225 -1.992 1.262) 2.369 12.748 ( -4.632 3.154 1.582) 5.823 12.873 ( -5.023 -3.649 -3.438) 7.097 13.011 ( 7.950 1.300 -2.163) 8.341 13.216 ( 7.924 -10.409 -8.805) 15.769 13.446 ( -7.050 1.972 10.286) 12.625 13.676 ( -9.652 -9.359 5.528) 14.536 14.109 ( -3.004 8.852 -2.491) 9.674 14.211 ( 2.486 -5.213 1.740) 6.032 14.232 ( 7.836 -0.627 -7.697) 11.002 14.454 ( -2.334 -10.014 0.993) 10.330 14.566 ( -4.408 10.531 -21.449) 24.298 14.892 ( -1.690 -14.001 -19.428) 24.007 15.562 ( 1.504 2.969 -3.646) 4.936 15.659 ( 2.282 2.192 -4.364) 5.391 16.067 ( -1.919 -24.998 0.084) 25.072 16.194 ( 0.591 -28.639 -5.045) 29.086 17.106 ( -5.223 -2.733 22.192) 22.962 17.202 ( -3.060 -12.323 18.442) 22.390 17.735 ( 5.019 4.238 15.658) 16.980 17.892 ( -0.643 -9.658 15.523) 18.294 18.267 ( -7.962 -0.519 -10.744) 13.383 18.314 ( -11.068 -4.302 -15.256) 19.332 18.620 ( -7.873 9.624 -13.620) 18.443 18.837 ( -5.775 -12.510 -11.880) 18.193 19.459 ( 17.048 3.117 -1.808) 17.424 19.528 ( 16.208 -2.742 -4.745) 17.109 20.000 ( 10.024 4.133 3.457) 11.380 20.120 ( 9.919 -6.715 -1.279) 12.047 21.716 ( 0.796 3.355 1.061) 3.608 21.736 ( 1.689 1.121 0.095) 2.029 21.922 ( -2.691 9.792 -1.455) 10.258 22.074 ( -2.749 -5.923 -5.519) 8.550 23.578 ( 1.727 7.190 9.672) 12.175 23.742 ( 1.924 -8.925 10.204) 13.692 23.856 ( -1.792 4.144 2.351) 5.090 23.973 ( -1.228 -7.075 3.737) 8.095 26.091 ( 0.037 1.559 2.947) 3.335 26.106 ( 0.073 0.030 1.792) 1.794 26.203 ( -2.228 5.457 1.648) 6.121 26.297 ( -3.109 -4.144 0.871) 5.253 26.831 ( 6.224 2.496 0.285) 6.712 26.854 ( 7.313 0.026 0.878) 7.365 27.366 ( 0.894 8.037 -10.356) 13.139 27.503 ( 0.407 -6.040 -12.952) 14.297 28.834 ( -2.874 11.040 -3.740) 12.006 28.891 ( -3.844 6.275 -4.852) 8.815 29.442 ( -9.790 -3.271 1.483) 10.428 29.472 ( -9.443 -5.869 0.804) 11.147 33.887 ( 2.662 9.017 2.841) 9.822 33.956 ( 2.859 5.486 0.583) 6.214 34.227 ( 0.106 -5.744 6.600) 8.750 34.337 ( 0.354 -13.772 4.275) 14.425 ======================= Grid point 156 (59/80) ======================= q-point: ( 0.33 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.882 ( 4.830 12.793 18.760) 23.215 4.016 ( 1.609 4.063 19.528) 20.011 4.169 ( -5.874 7.373 10.418) 14.050 4.323 ( -6.443 -5.153 14.490) 16.674 4.465 ( 8.641 26.952 11.262) 30.462 4.805 ( 4.195 2.407 5.554) 7.365 4.865 ( 3.837 2.603 9.616) 10.676 5.014 ( -5.544 -7.300 7.992) 12.161 5.658 ( 4.036 0.079 -0.299) 4.048 5.767 ( 5.458 -7.949 3.022) 10.105 6.016 ( -7.795 1.768 4.191) 9.025 6.148 ( -5.436 -10.114 -4.882) 12.477 6.591 ( 0.095 2.511 -3.746) 4.511 6.656 ( 7.005 10.140 -9.626) 15.638 6.825 ( 2.443 -3.857 -3.427) 5.709 7.174 ( -2.402 -24.745 -8.840) 26.386 7.329 ( 0.267 17.468 -0.849) 17.491 7.459 ( -3.247 7.423 -13.660) 15.882 7.641 ( 2.189 -7.708 -11.355) 13.898 7.722 ( -3.240 -18.336 3.545) 18.955 8.462 ( 2.378 17.952 -21.987) 28.485 8.713 ( -3.454 -4.125 -13.254) 14.305 8.894 ( -8.405 17.738 -20.355) 28.277 9.039 ( -12.779 -0.881 -21.151) 24.727 9.277 ( 10.156 18.367 10.672) 23.545 9.460 ( 3.298 13.023 3.647) 13.921 9.625 ( -0.168 -7.410 15.280) 16.982 9.706 ( -4.398 -7.041 7.115) 10.933 9.970 ( 8.827 15.615 4.859) 18.584 10.182 ( 8.740 0.195 0.611) 8.763 10.606 ( 0.664 18.947 15.010) 24.182 10.762 ( -10.240 7.293 7.758) 14.773 10.798 ( -8.800 12.049 4.144) 15.485 11.049 ( -8.422 32.294 -1.272) 33.399 11.417 ( 1.801 -29.908 2.544) 30.070 11.515 ( 1.269 5.549 -3.175) 6.518 11.580 ( 8.468 21.572 -3.174) 23.391 11.675 ( 2.308 20.816 1.867) 21.027 11.851 ( 8.321 4.629 7.057) 11.851 11.919 ( -2.737 -22.854 0.590) 23.025 12.162 ( -0.334 32.204 14.789) 35.438 12.364 ( 7.439 5.193 11.783) 14.871 12.444 ( -0.851 -2.117 -2.501) 3.385 12.562 ( -8.163 4.610 2.390) 9.675 12.620 ( 2.926 -10.380 7.521) 13.148 12.808 ( 3.726 -8.725 7.702) 12.220 13.094 ( -5.280 -4.547 -2.244) 7.321 13.347 ( -6.903 -18.253 10.653) 22.233 13.357 ( 8.611 2.011 0.779) 8.877 13.636 ( 10.213 -3.882 -9.225) 14.300 13.958 ( -10.818 12.560 -11.744) 20.315 14.166 ( -6.271 -1.778 -4.432) 7.882 14.362 ( -0.368 5.548 -14.231) 15.279 14.430 ( 2.708 -10.474 -10.894) 15.353 14.512 ( 1.343 -3.664 -19.149) 19.543 14.808 ( -6.145 -17.690 -22.491) 29.267 15.602 ( 2.399 6.127 -2.930) 7.203 15.695 ( 0.487 9.785 -4.529) 10.793 16.044 ( 0.304 -27.351 1.222) 27.379 16.172 ( -2.849 -27.776 -3.671) 28.162 17.083 ( 3.885 2.352 20.202) 20.706 17.215 ( 4.756 -12.002 15.742) 20.358 17.627 ( -14.724 0.714 9.234) 17.394 17.693 ( -13.137 -6.859 8.969) 17.322 18.201 ( 4.186 1.467 -5.172) 6.814 18.335 ( 7.797 -11.254 0.845) 13.717 18.465 ( -6.253 8.288 -9.676) 14.192 18.692 ( -7.274 -14.475 -5.306) 17.047 19.830 ( 14.922 8.667 -2.286) 17.407 19.880 ( 14.295 7.233 -5.119) 16.819 20.193 ( 6.659 -2.715 1.049) 7.267 20.300 ( 4.830 -9.864 -2.586) 11.283 21.740 ( 1.414 4.692 -0.089) 4.901 21.787 ( 2.808 0.348 -1.358) 3.139 21.854 ( -2.939 7.314 -0.046) 7.883 21.991 ( -4.715 -5.942 -3.722) 8.449 23.632 ( 3.217 7.593 8.361) 11.744 23.779 ( -0.890 2.432 6.673) 7.157 23.818 ( 0.634 -6.388 6.633) 9.231 23.934 ( -2.335 -8.339 5.514) 10.266 26.092 ( 0.224 2.106 2.318) 3.140 26.120 ( 1.244 -0.723 2.511) 2.894 26.150 ( -2.368 4.354 1.921) 5.316 26.224 ( -3.335 -3.248 2.199) 5.149 27.010 ( 9.670 4.192 -2.967) 10.949 27.058 ( 10.917 -0.788 -2.997) 11.349 27.353 ( -3.041 7.619 -10.089) 13.003 27.469 ( -4.498 -4.297 -12.188) 13.684 28.794 ( 0.280 9.027 0.069) 9.031 28.836 ( 0.326 4.725 -0.984) 4.837 29.171 ( -13.025 0.549 3.152) 13.412 29.233 ( -12.020 -6.157 0.666) 13.522 33.956 ( 3.323 11.028 2.230) 11.732 34.015 ( 1.757 10.295 0.887) 10.481 34.241 ( 1.440 -11.444 3.444) 12.037 34.331 ( -1.138 -15.624 2.020) 15.795 ======================= Grid point 157 (60/80) ======================= q-point: (-0.50 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.988 ( -4.797 13.957 18.497) 23.663 3.988 ( 4.797 13.957 18.497) 23.663 4.169 ( -6.350 -4.844 13.713) 15.869 4.169 ( 6.350 -4.844 13.713) 15.869 4.684 ( -11.142 19.253 6.753) 23.247 4.684 ( 11.142 19.253 6.753) 23.247 4.955 ( -1.767 -5.760 11.112) 12.640 4.955 ( 1.767 -5.760 11.112) 12.640 5.819 ( -9.511 -0.117 4.710) 10.614 5.819 ( 9.511 -0.117 4.710) 10.614 5.955 ( -11.042 -12.235 -1.971) 16.598 5.955 ( 11.042 -12.235 -1.971) 16.598 6.670 ( -5.501 16.392 -6.163) 18.356 6.670 ( 5.501 16.392 -6.163) 18.356 7.008 ( -11.661 -19.841 -6.903) 24.027 7.008 ( 11.661 -19.841 -6.903) 24.027 7.359 ( -5.949 16.355 -7.352) 18.893 7.359 ( 5.949 16.355 -7.352) 18.893 7.670 ( -1.762 -16.141 -4.299) 16.796 7.670 ( 1.762 -16.141 -4.299) 16.796 8.623 ( -10.414 15.050 -26.259) 32.008 8.623 ( 10.414 15.050 -26.259) 32.008 8.798 ( -7.259 -5.053 -22.612) 24.280 8.798 ( 7.259 -5.053 -22.612) 24.280 9.514 ( -6.065 7.059 11.725) 14.970 9.514 ( 6.065 7.059 11.725) 14.970 9.578 ( -0.576 3.502 12.754) 13.239 9.578 ( 0.576 3.502 12.754) 13.239 10.260 ( -14.358 22.347 1.736) 26.619 10.260 ( 14.358 22.347 1.736) 26.619 10.524 ( -11.610 -5.622 6.061) 14.252 10.524 ( 11.610 -5.622 6.061) 14.252 10.855 ( -10.005 26.310 11.387) 30.364 10.855 ( 10.005 26.310 11.387) 30.364 11.474 ( -4.020 -15.499 -1.091) 16.048 11.474 ( 4.020 -15.499 -1.091) 16.048 11.686 ( -1.984 29.534 4.870) 29.999 11.686 ( 1.984 29.534 4.870) 29.999 11.929 ( -1.643 -4.702 11.132) 12.196 11.929 ( 1.643 -4.702 11.132) 12.196 12.290 ( -9.755 8.565 -3.572) 13.464 12.290 ( 9.755 8.565 -3.572) 13.464 12.428 ( -1.165 5.708 8.537) 10.335 12.428 ( 1.165 5.708 8.537) 10.335 12.814 ( -9.766 -4.452 8.279) 13.555 12.814 ( 9.766 -4.452 8.279) 13.555 13.105 ( -11.318 -28.651 8.734) 32.020 13.105 ( 11.318 -28.651 8.734) 32.020 13.651 ( -14.432 16.716 -13.433) 25.849 13.651 ( 14.432 16.716 -13.433) 25.849 13.934 ( -13.165 3.096 -8.563) 16.007 13.934 ( 13.165 3.096 -8.563) 16.007 14.399 ( -3.142 -5.435 -15.682) 16.892 14.399 ( 3.142 -5.435 -15.682) 16.892 14.645 ( -8.044 -16.721 -21.342) 28.280 14.645 ( 8.044 -16.721 -21.342) 28.280 15.666 ( -2.876 11.422 -2.932) 12.138 15.666 ( 2.876 11.422 -2.932) 12.138 16.091 ( -3.737 -27.837 -1.202) 28.113 16.091 ( 3.737 -27.837 -1.202) 28.113 17.263 ( -10.433 5.135 12.313) 16.936 17.263 ( 10.433 5.135 12.313) 16.936 17.431 ( -8.482 -13.347 12.640) 20.245 17.431 ( 8.482 -13.347 12.640) 20.245 18.331 ( -6.293 5.164 -5.082) 9.596 18.331 ( 6.293 5.164 -5.082) 9.596 18.521 ( -8.480 -13.421 0.141) 15.876 18.521 ( 8.480 -13.421 0.141) 15.876 20.034 ( -2.101 14.820 -2.937) 15.254 20.034 ( 2.101 14.820 -2.937) 15.254 20.301 ( -3.801 -12.095 -2.513) 12.924 20.301 ( 3.801 -12.095 -2.513) 12.924 21.780 ( -2.251 6.777 -0.383) 7.151 21.780 ( 2.251 6.777 -0.383) 7.151 21.885 ( -4.615 -4.214 -1.759) 6.493 21.885 ( 4.615 -4.214 -1.759) 6.493 23.711 ( -3.814 7.430 6.506) 10.586 23.711 ( 3.814 7.430 6.506) 10.586 23.875 ( -3.027 -9.800 7.420) 12.660 23.875 ( 3.027 -9.800 7.420) 12.660 26.108 ( -1.339 3.263 2.071) 4.090 26.108 ( 1.339 3.263 2.071) 4.090 26.160 ( -2.444 -2.123 2.666) 4.194 26.160 ( 2.444 -2.123 2.666) 4.194 27.219 ( -8.609 6.206 -7.149) 12.796 27.219 ( 8.609 6.206 -7.149) 12.796 27.300 ( -10.294 -2.175 -7.969) 13.198 27.300 ( 10.294 -2.175 -7.969) 13.198 28.862 ( -3.653 9.929 2.623) 10.900 28.862 ( 3.653 9.929 2.623) 10.900 29.013 ( -4.615 -6.090 0.566) 7.662 29.013 ( 4.615 -6.090 0.566) 7.662 34.014 ( -1.687 12.724 1.844) 12.967 34.014 ( 1.687 12.724 1.844) 12.967 34.289 ( -2.530 -15.705 1.182) 15.952 34.289 ( 2.530 -15.705 1.182) 15.952 ======================= Grid point 189 (61/80) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 0.000 0.000 27.183) 27.183 2.519 ( 0.000 0.000 38.458) 38.458 2.760 ( 0.000 0.000 -15.162) 15.162 3.180 ( 0.000 0.000 -30.544) 30.544 4.353 ( 0.000 0.000 13.014) 13.014 4.477 ( 0.000 0.000 1.664) 1.664 4.649 ( 0.000 0.000 16.297) 16.297 5.124 ( 0.000 0.000 -8.148) 8.148 5.363 ( 0.000 0.000 3.966) 3.966 5.372 ( 0.000 0.000 46.622) 46.622 5.482 ( 0.000 0.000 -8.872) 8.872 6.060 ( 0.000 0.000 20.190) 20.190 6.274 ( 0.000 0.000 19.420) 19.420 6.412 ( 0.000 0.000 10.191) 10.191 6.602 ( 0.000 0.000 -9.543) 9.543 6.647 ( 0.000 0.000 -20.215) 20.215 6.748 ( 0.000 0.000 -31.949) 31.949 6.830 ( 0.000 0.000 -62.400) 62.400 7.352 ( 0.000 0.000 3.015) 3.015 7.409 ( 0.000 0.000 -2.879) 2.879 7.996 ( 0.000 0.000 16.575) 16.575 8.238 ( 0.000 0.000 -5.831) 5.831 8.344 ( 0.000 0.000 10.663) 10.663 8.443 ( 0.000 0.000 9.112) 9.112 8.543 ( 0.000 0.000 -10.839) 10.839 8.700 ( 0.000 0.000 -14.573) 14.573 9.020 ( 0.000 0.000 0.455) 0.455 9.033 ( 0.000 0.000 20.911) 20.911 9.062 ( 0.000 0.000 -4.163) 4.163 9.413 ( 0.000 0.000 -15.758) 15.758 10.165 ( 0.000 0.000 13.774) 13.774 10.426 ( 0.000 0.000 -13.358) 13.358 10.588 ( 0.000 0.000 13.789) 13.789 10.596 ( 0.000 0.000 6.026) 6.026 10.680 ( 0.000 0.000 4.973) 4.973 10.682 ( 0.000 0.000 -3.306) 3.306 10.986 ( 0.000 0.000 4.415) 4.415 11.053 ( 0.000 0.000 -2.174) 2.174 11.200 ( 0.000 0.000 17.915) 17.915 11.517 ( 0.000 0.000 -16.036) 16.036 11.639 ( 0.000 0.000 3.441) 3.441 11.827 ( 0.000 0.000 -15.229) 15.229 12.186 ( 0.000 0.000 10.935) 10.935 12.418 ( 0.000 0.000 -13.213) 13.213 12.580 ( 0.000 0.000 0.493) 0.493 12.609 ( 0.000 0.000 -2.653) 2.653 13.405 ( 0.000 0.000 17.041) 17.041 13.806 ( 0.000 0.000 -25.807) 25.807 13.863 ( 0.000 0.000 2.533) 2.533 13.932 ( 0.000 0.000 -4.675) 4.675 14.072 ( 0.000 0.000 11.865) 11.865 14.131 ( 0.000 0.000 5.288) 5.288 14.758 ( 0.000 0.000 12.175) 12.175 14.989 ( 0.000 0.000 -11.735) 11.735 16.001 ( 0.000 0.000 5.226) 5.226 16.147 ( 0.000 0.000 10.451) 10.451 16.398 ( 0.000 0.000 -1.162) 1.162 16.419 ( 0.000 0.000 2.167) 2.167 16.464 ( 0.000 0.000 -2.323) 2.323 16.883 ( 0.000 0.000 -30.013) 30.013 17.748 ( 0.000 0.000 -1.958) 1.958 17.759 ( 0.000 0.000 -4.098) 4.098 17.957 ( 0.000 0.000 11.884) 11.884 18.169 ( 0.000 0.000 -10.238) 10.238 18.519 ( 0.000 0.000 0.252) 0.252 18.522 ( 0.000 0.000 0.015) 0.015 19.334 ( 0.000 0.000 16.440) 16.440 19.425 ( 0.000 0.000 4.466) 4.466 20.099 ( 0.000 0.000 -0.134) 0.134 20.108 ( 0.000 0.000 -1.169) 1.169 20.527 ( 0.000 0.000 8.790) 8.790 20.574 ( 0.000 0.000 3.600) 3.600 20.633 ( 0.000 0.000 -2.596) 2.596 20.782 ( 0.000 0.000 -15.356) 15.356 21.547 ( 0.000 0.000 14.577) 14.577 21.840 ( 0.000 0.000 -16.129) 16.129 23.502 ( 0.000 0.000 6.165) 6.165 23.561 ( 0.000 0.000 0.422) 0.422 24.725 ( 0.000 0.000 11.530) 11.530 24.901 ( 0.000 0.000 -7.438) 7.438 25.956 ( 0.000 0.000 4.093) 4.093 26.040 ( 0.000 0.000 -5.359) 5.359 26.447 ( 0.000 0.000 -0.017) 0.017 26.449 ( 0.000 0.000 -0.238) 0.238 26.592 ( 0.000 0.000 1.857) 1.857 26.624 ( 0.000 0.000 2.870) 2.870 26.626 ( 0.000 0.000 -1.689) 1.689 26.714 ( 0.000 0.000 -7.187) 7.187 27.898 ( 0.000 0.000 0.159) 0.159 27.924 ( 0.000 0.000 -2.433) 2.433 29.781 ( 0.000 0.000 7.651) 7.651 29.936 ( 0.000 0.000 -8.645) 8.645 33.518 ( 0.000 0.000 2.130) 2.130 33.548 ( 0.000 0.000 -1.017) 1.017 35.125 ( 0.000 0.000 17.036) 17.036 35.440 ( 0.000 0.000 -15.669) 15.669 ======================= Grid point 190 (62/80) ======================= q-point: ( 0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 13.529 0.000 18.592) 22.993 2.729 ( -0.037 0.000 -6.397) 6.397 2.759 ( 20.903 0.000 33.335) 39.347 3.343 ( 14.431 0.000 -27.354) 30.927 4.369 ( -12.528 0.000 13.651) 18.528 4.445 ( 1.027 0.000 -0.523) 1.152 4.740 ( 3.269 0.000 26.606) 26.806 5.027 ( 2.122 0.000 20.677) 20.785 5.214 ( -13.150 0.000 1.941) 13.292 5.275 ( -17.990 0.000 -4.652) 18.581 5.438 ( 6.603 0.000 -17.647) 18.842 5.769 ( -30.539 0.000 -19.906) 36.454 6.106 ( 1.099 0.000 20.210) 20.240 6.359 ( -1.033 0.000 -14.080) 14.118 6.458 ( 3.713 0.000 7.781) 8.622 6.613 ( 0.443 0.000 -8.032) 8.045 7.057 ( 25.350 0.000 8.621) 26.776 7.107 ( -17.997 0.000 1.629) 18.071 7.141 ( -19.695 0.000 -1.902) 19.787 7.637 ( 37.316 0.000 -45.643) 58.956 8.083 ( 5.935 0.000 14.515) 15.681 8.332 ( 3.319 0.000 -11.341) 11.817 8.387 ( 0.158 0.000 11.625) 11.626 8.422 ( 6.772 0.000 8.059) 10.526 8.535 ( -1.945 0.000 -3.602) 4.094 8.608 ( -3.990 0.000 -11.365) 12.045 8.948 ( -5.558 0.000 16.794) 17.689 9.282 ( 19.143 0.000 2.279) 19.278 9.317 ( -7.405 0.000 -16.795) 18.355 9.345 ( 18.762 0.000 -4.094) 19.203 10.185 ( 0.254 0.000 17.564) 17.565 10.421 ( -11.298 0.000 6.955) 13.267 10.437 ( -7.111 0.000 5.341) 8.893 10.540 ( -10.189 0.000 -5.530) 11.593 10.575 ( -2.885 0.000 -3.603) 4.615 10.671 ( 0.623 0.000 -0.687) 0.927 11.038 ( -6.602 0.000 15.246) 16.614 11.168 ( 13.403 0.000 5.131) 14.352 11.242 ( 13.239 0.000 -2.385) 13.452 11.287 ( -16.475 0.000 -13.165) 21.089 11.671 ( 3.020 0.000 4.217) 5.186 11.863 ( 2.189 0.000 -14.267) 14.434 12.096 ( -7.505 0.000 6.713) 10.069 12.269 ( -11.908 0.000 -10.605) 15.945 12.545 ( -3.176 0.000 -0.122) 3.178 12.570 ( -3.631 0.000 -2.754) 4.557 13.587 ( 14.386 0.000 20.118) 24.732 13.849 ( -0.295 0.000 6.150) 6.157 13.897 ( 2.793 0.000 -3.487) 4.468 13.985 ( 3.761 0.000 -7.870) 8.722 14.143 ( 0.962 0.000 3.925) 4.041 14.221 ( 16.067 0.000 -15.073) 22.031 14.656 ( -8.521 0.000 12.970) 15.519 14.904 ( -7.472 0.000 -12.756) 14.783 15.651 ( -26.756 0.000 10.479) 28.735 15.998 ( -18.160 0.000 -21.409) 28.074 16.379 ( 5.524 0.000 24.803) 25.411 16.433 ( 1.223 0.000 2.709) 2.972 16.479 ( 1.097 0.000 -1.935) 2.224 16.918 ( 2.997 0.000 -27.019) 27.185 17.688 ( -6.129 0.000 -3.218) 6.922 17.705 ( -3.985 0.000 -3.776) 5.490 17.964 ( 0.818 0.000 9.391) 9.427 18.138 ( -2.373 0.000 -8.644) 8.964 18.553 ( 3.064 0.000 1.193) 3.288 18.571 ( 3.438 0.000 -0.604) 3.491 19.512 ( 13.723 0.000 18.548) 23.073 19.669 ( 16.818 0.000 0.278) 16.821 20.108 ( 1.146 0.000 0.914) 1.466 20.135 ( 1.995 0.000 -1.869) 2.734 20.552 ( -1.844 0.000 3.365) 3.837 20.588 ( 4.977 0.000 6.975) 8.569 20.611 ( -2.007 0.000 -2.691) 3.357 20.816 ( 2.649 0.000 -14.911) 15.144 21.613 ( 5.926 0.000 12.476) 13.812 21.871 ( 2.583 0.000 -14.577) 14.804 23.496 ( -0.496 0.000 5.892) 5.913 23.550 ( -0.993 0.000 0.604) 1.163 24.776 ( 4.472 0.000 11.065) 11.935 24.933 ( 2.682 0.000 -5.884) 6.466 25.972 ( 1.202 0.000 3.455) 3.659 26.044 ( 0.234 0.000 -4.860) 4.865 26.442 ( -0.200 0.000 0.512) 0.550 26.454 ( 0.130 0.000 -0.714) 0.726 26.590 ( -0.130 0.000 1.696) 1.701 26.612 ( -0.969 0.000 3.924) 4.041 26.621 ( -0.402 0.000 -1.581) 1.631 26.694 ( -1.715 0.000 -5.172) 5.449 27.946 ( 4.486 0.000 1.284) 4.666 27.988 ( 5.655 0.000 -3.084) 6.441 29.590 ( -15.417 0.000 10.796) 18.822 29.783 ( -13.205 0.000 -9.969) 16.545 33.535 ( 1.409 0.000 2.264) 2.666 33.567 ( 1.465 0.000 -1.150) 1.863 35.108 ( -0.788 0.000 15.498) 15.518 35.411 ( -2.870 0.000 -15.824) 16.083 ======================= Grid point 191 (63/80) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( 11.296 0.000 11.726) 16.282 2.927 ( 19.431 0.000 4.730) 19.999 3.348 ( 31.684 0.000 23.014) 39.160 3.764 ( 23.229 0.000 -19.927) 30.605 3.926 ( -22.438 0.000 19.461) 29.702 4.299 ( -16.502 0.000 -11.861) 20.323 4.676 ( -1.943 0.000 9.347) 9.547 4.757 ( -28.715 0.000 3.747) 28.958 4.828 ( -21.734 0.000 -3.558) 22.023 4.947 ( -22.687 0.000 -18.549) 29.305 5.472 ( 24.432 0.000 18.824) 30.843 5.933 ( 17.974 0.000 -26.724) 32.206 6.090 ( -1.384 0.000 20.050) 20.098 6.379 ( 0.396 0.000 -12.989) 12.995 6.545 ( 3.502 0.000 2.555) 4.335 6.591 ( -3.038 0.000 -1.810) 3.536 6.728 ( -14.973 0.000 0.433) 14.980 6.765 ( -11.039 0.000 -3.349) 11.536 7.619 ( 25.490 0.000 29.899) 39.290 8.190 ( 3.602 0.000 7.247) 8.093 8.305 ( 17.342 0.000 -30.921) 35.452 8.309 ( -2.164 0.000 -4.329) 4.840 8.442 ( -1.279 0.000 6.701) 6.822 8.482 ( 4.978 0.000 4.399) 6.643 8.579 ( 4.460 0.000 -6.081) 7.541 8.585 ( 0.723 0.000 -5.323) 5.372 8.876 ( 2.748 0.000 13.532) 13.809 9.215 ( -0.341 0.000 -14.472) 14.476 9.666 ( 14.288 0.000 3.169) 14.636 9.730 ( 15.210 0.000 -3.179) 15.539 9.801 ( -28.861 0.000 11.248) 30.976 10.086 ( -31.498 0.000 -14.638) 34.733 10.192 ( -9.004 0.000 7.095) 11.464 10.317 ( -9.812 0.000 -5.801) 11.398 10.547 ( 11.509 0.000 15.218) 19.080 10.816 ( 10.183 0.000 -8.434) 13.222 11.006 ( -1.013 0.000 11.318) 11.364 11.116 ( -0.068 0.000 0.837) 0.840 11.481 ( 14.247 0.000 3.945) 14.784 11.539 ( 12.694 0.000 -1.852) 12.829 11.692 ( -4.907 0.000 3.783) 6.196 11.831 ( -10.509 0.000 -9.870) 14.417 11.912 ( -2.203 0.000 5.211) 5.657 12.052 ( -4.341 0.000 -7.861) 8.980 12.446 ( -5.619 0.000 -1.761) 5.888 12.457 ( -6.365 0.000 -3.046) 7.056 13.845 ( 6.788 0.000 6.345) 9.292 13.873 ( 2.804 0.000 10.155) 10.535 13.992 ( 4.820 0.000 -4.379) 6.512 14.050 ( 0.701 0.000 -6.923) 6.958 14.199 ( 8.100 0.000 16.146) 18.064 14.468 ( -5.888 0.000 9.281) 10.991 14.643 ( 20.163 0.000 -27.827) 34.364 14.698 ( -10.565 0.000 -13.244) 16.942 15.043 ( -26.740 0.000 17.313) 31.855 15.525 ( -22.329 0.000 -29.042) 36.633 16.466 ( 1.595 0.000 2.697) 3.133 16.498 ( 0.408 0.000 -0.464) 0.618 16.602 ( 13.141 0.000 21.579) 25.265 16.980 ( 1.135 0.000 -14.327) 14.372 17.526 ( -7.128 0.000 -4.540) 8.451 17.591 ( -6.154 0.000 -8.238) 10.283 17.995 ( 1.885 0.000 4.262) 4.660 18.086 ( -2.235 0.000 -5.264) 5.719 18.624 ( 2.906 0.000 1.428) 3.238 18.640 ( 2.385 0.000 -0.077) 2.386 19.805 ( 11.725 0.000 17.831) 21.341 19.953 ( 7.441 0.000 2.179) 7.754 20.148 ( 2.287 0.000 1.747) 2.879 20.180 ( 1.746 0.000 -1.506) 2.306 20.508 ( -1.746 0.000 2.059) 2.699 20.553 ( -2.975 0.000 -2.542) 3.913 20.711 ( 5.902 0.000 1.679) 6.136 20.859 ( 0.504 0.000 -12.378) 12.388 21.776 ( 8.012 0.000 5.730) 9.850 21.926 ( 1.638 0.000 -9.721) 9.858 23.488 ( -0.071 0.000 4.875) 4.876 23.523 ( -1.388 0.000 1.463) 2.017 24.897 ( 5.944 0.000 8.894) 10.698 24.993 ( 2.153 0.000 -1.591) 2.677 25.995 ( 0.818 0.000 1.746) 1.928 26.039 ( -0.883 0.000 -3.311) 3.426 26.440 ( 0.103 0.000 0.655) 0.663 26.453 ( -0.221 0.000 -0.571) 0.612 26.589 ( 0.140 0.000 0.966) 0.976 26.594 ( -0.334 0.000 5.530) 5.540 26.609 ( -0.624 0.000 -1.136) 1.296 26.649 ( -2.244 0.000 -0.737) 2.362 28.082 ( 7.430 0.000 3.495) 8.211 28.142 ( 7.234 0.000 -2.373) 7.613 29.245 ( -13.189 0.000 9.272) 16.122 29.432 ( -17.190 0.000 -10.316) 20.048 33.570 ( 1.610 0.000 2.107) 2.652 33.595 ( 0.779 0.000 -0.401) 0.876 35.120 ( 2.139 0.000 8.233) 8.506 35.317 ( -5.395 0.000 -11.949) 13.111 ======================= Grid point 192 (64/80) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.098 ( -10.560 0.000 22.197) 24.580 3.098 ( 10.560 0.000 22.197) 24.580 3.814 ( -18.777 0.000 -16.964) 25.306 3.814 ( 18.777 0.000 -16.964) 25.306 4.062 ( -31.686 0.000 11.549) 33.726 4.062 ( 31.686 0.000 11.549) 33.726 4.313 ( -23.663 0.000 -9.942) 25.667 4.313 ( 23.663 0.000 -9.942) 25.667 4.696 ( -4.158 0.000 0.433) 4.180 4.696 ( 4.158 0.000 0.433) 4.180 5.896 ( -13.132 0.000 12.636) 18.224 5.896 ( 13.132 0.000 12.636) 18.224 6.298 ( -9.302 0.000 -15.838) 18.368 6.298 ( 9.302 0.000 -15.838) 18.368 6.528 ( -1.675 0.000 0.363) 1.714 6.528 ( 1.675 0.000 0.363) 1.714 6.640 ( -3.361 0.000 -1.674) 3.755 6.640 ( 3.361 0.000 -1.674) 3.755 8.124 ( -18.949 0.000 28.641) 34.342 8.124 ( 18.949 0.000 28.641) 34.342 8.255 ( -2.726 0.000 -0.168) 2.731 8.255 ( 2.726 0.000 -0.168) 2.731 8.572 ( -2.585 0.000 1.144) 2.827 8.572 ( 2.585 0.000 1.144) 2.827 8.583 ( -1.092 0.000 -10.344) 10.402 8.583 ( 1.092 0.000 -10.344) 10.402 9.217 ( -12.597 0.000 3.356) 13.037 9.217 ( 12.597 0.000 3.356) 13.037 9.430 ( -12.797 0.000 -22.907) 26.240 9.430 ( 12.797 0.000 -22.907) 26.240 9.881 ( -4.416 0.000 0.997) 4.527 9.881 ( 4.416 0.000 0.997) 4.527 10.129 ( -6.095 0.000 -0.130) 6.097 10.129 ( 6.095 0.000 -0.130) 6.097 10.849 ( -12.533 0.000 15.745) 20.124 10.849 ( 12.533 0.000 15.745) 20.124 11.061 ( -7.839 0.000 -2.993) 8.391 11.061 ( 7.839 0.000 -2.993) 8.391 11.605 ( -3.023 0.000 1.060) 3.203 11.605 ( 3.023 0.000 1.060) 3.203 11.688 ( -1.755 0.000 1.131) 2.088 11.688 ( 1.755 0.000 1.131) 2.088 11.983 ( -3.880 0.000 -2.827) 4.800 11.983 ( 3.880 0.000 -2.827) 4.800 12.361 ( -0.124 0.000 -3.273) 3.276 12.361 ( 0.124 0.000 -3.273) 3.276 13.966 ( -4.769 0.000 -9.280) 10.434 13.966 ( 4.769 0.000 -9.280) 10.434 13.974 ( -5.931 0.000 7.529) 9.585 13.974 ( 5.931 0.000 7.529) 9.585 14.493 ( -7.087 0.000 -7.627) 10.412 14.493 ( 7.087 0.000 -7.627) 10.412 14.535 ( -20.051 0.000 24.588) 31.728 14.535 ( 20.051 0.000 24.588) 31.728 15.072 ( -19.795 0.000 -30.091) 36.018 15.072 ( 19.795 0.000 -30.091) 36.018 16.493 ( -0.801 0.000 1.405) 1.617 16.493 ( 0.801 0.000 1.405) 1.617 16.880 ( -10.598 0.000 8.612) 13.656 16.880 ( 10.598 0.000 8.612) 13.656 17.475 ( -3.017 0.000 -11.374) 11.767 17.475 ( 3.017 0.000 -11.374) 11.767 18.039 ( -2.131 0.000 -0.877) 2.305 18.039 ( 2.131 0.000 -0.877) 2.305 18.662 ( -0.393 0.000 0.844) 0.931 18.662 ( 0.393 0.000 0.844) 0.931 19.983 ( -4.063 0.000 11.134) 11.853 19.983 ( 4.063 0.000 11.134) 11.853 20.190 ( -1.076 0.000 0.771) 1.324 20.190 ( 1.076 0.000 0.771) 1.324 20.501 ( -1.340 0.000 -0.882) 1.604 20.501 ( 1.340 0.000 -0.882) 1.604 20.822 ( -3.808 0.000 -6.350) 7.404 20.822 ( 3.808 0.000 -6.350) 7.404 21.910 ( -3.551 0.000 -2.480) 4.331 21.910 ( 3.551 0.000 -2.480) 4.331 23.497 ( -0.891 0.000 3.130) 3.254 23.497 ( 0.891 0.000 3.130) 3.254 24.995 ( -2.412 0.000 4.185) 4.830 24.995 ( 2.412 0.000 4.185) 4.830 26.013 ( -1.099 0.000 -0.665) 1.285 26.013 ( 1.099 0.000 -0.665) 1.285 26.446 ( -0.340 0.000 0.163) 0.377 26.446 ( 0.340 0.000 0.163) 0.377 26.596 ( -0.522 0.000 -0.206) 0.561 26.596 ( 0.522 0.000 -0.206) 0.561 26.606 ( -1.445 0.000 3.730) 4.000 26.606 ( 1.445 0.000 3.730) 4.000 28.211 ( -2.390 0.000 2.966) 3.809 28.211 ( 2.390 0.000 2.966) 3.809 29.149 ( -5.876 0.000 -3.281) 6.731 29.149 ( 5.876 0.000 -3.281) 6.731 33.596 ( -0.664 0.000 1.098) 1.284 33.596 ( 0.664 0.000 1.098) 1.284 35.199 ( -4.966 0.000 -2.691) 5.649 35.199 ( 4.966 0.000 -2.691) 5.649 ======================= Grid point 196 (65/80) ======================= q-point: ( 0.00 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( 0.000 14.307 20.660) 25.130 2.680 ( 0.000 14.290 5.174) 15.198 3.169 ( 0.000 38.456 9.151) 39.530 3.437 ( 0.000 21.875 -12.480) 25.185 4.395 ( 0.000 3.637 6.070) 7.076 4.495 ( 0.000 2.069 -0.074) 2.071 4.784 ( 0.000 14.615 14.274) 20.429 5.043 ( 0.000 -4.789 17.123) 17.780 5.383 ( 0.000 8.237 -0.992) 8.297 5.597 ( 0.000 9.732 -5.728) 11.293 5.782 ( 0.000 30.244 21.122) 36.890 6.015 ( 0.000 -2.854 7.193) 7.739 6.211 ( 0.000 -4.586 18.181) 18.750 6.529 ( 0.000 -1.464 -10.695) 10.795 6.532 ( 0.000 0.101 -7.493) 7.494 6.987 ( 0.000 18.972 -43.323) 47.295 7.022 ( 0.000 26.999 -8.692) 28.364 7.072 ( 0.000 39.626 -18.375) 43.679 7.364 ( 0.000 4.373 -0.715) 4.431 7.403 ( 0.000 1.203 -4.322) 4.486 8.060 ( 0.000 -11.077 10.358) 15.166 8.213 ( 0.000 -10.614 -1.535) 10.725 8.251 ( 0.000 9.342 17.493) 19.831 8.509 ( 0.000 12.581 -9.270) 15.628 8.635 ( 0.000 2.932 -1.476) 3.283 8.760 ( 0.000 -7.195 -10.174) 12.461 8.858 ( 0.000 6.843 13.359) 15.009 9.022 ( 0.000 4.434 -6.862) 8.170 9.331 ( 0.000 19.440 2.569) 19.609 9.453 ( 0.000 1.915 -4.658) 5.036 9.963 ( 0.000 -14.873 4.962) 15.679 10.127 ( 0.000 -20.954 -11.336) 23.824 10.450 ( 0.000 0.023 10.072) 10.072 10.564 ( 0.000 -2.031 -1.803) 2.716 10.685 ( 0.000 -3.097 11.064) 11.489 10.864 ( 0.000 -2.604 -6.466) 6.971 11.188 ( 0.000 17.077 7.159) 18.517 11.193 ( 0.000 20.206 11.456) 23.228 11.322 ( 0.000 8.105 13.822) 16.023 11.571 ( 0.000 3.350 -11.993) 12.452 11.677 ( 0.000 2.764 -1.461) 3.126 11.877 ( 0.000 5.892 -18.230) 19.159 12.239 ( 0.000 7.297 12.805) 14.738 12.505 ( 0.000 10.554 -14.450) 17.894 12.757 ( 0.000 15.592 0.322) 15.595 12.763 ( 0.000 14.407 -0.720) 14.425 13.384 ( 0.000 -2.053 13.465) 13.620 13.632 ( 0.000 -13.385 -6.010) 14.673 13.899 ( 0.000 -2.995 -3.544) 4.640 13.903 ( 0.000 -1.021 -10.276) 10.327 14.059 ( 0.000 -1.377 13.228) 13.300 14.158 ( 0.000 3.706 3.625) 5.184 14.645 ( 0.000 -11.392 10.439) 15.451 14.810 ( 0.000 -18.329 -4.828) 18.954 15.310 ( 0.000 -39.744 8.442) 40.631 15.584 ( 0.000 -35.666 -18.019) 39.959 16.302 ( 0.000 -1.592 22.310) 22.367 16.820 ( 0.000 -8.492 -29.322) 30.527 16.994 ( 0.000 27.998 2.540) 28.113 17.140 ( 0.000 34.743 -12.129) 36.799 17.531 ( 0.000 -13.607 1.393) 13.678 17.570 ( 0.000 -12.314 -1.774) 12.441 18.054 ( 0.000 3.884 7.070) 8.066 18.204 ( 0.000 -0.985 -8.005) 8.066 18.488 ( 0.000 -4.889 1.616) 5.149 18.528 ( 0.000 -2.450 -2.754) 3.686 19.245 ( 0.000 -9.519 18.171) 20.513 19.366 ( 0.000 -5.356 3.348) 6.316 19.960 ( 0.000 -12.072 -0.691) 12.091 19.967 ( 0.000 -10.348 -2.218) 10.583 20.159 ( 0.000 -18.469 1.602) 18.538 20.251 ( 0.000 -23.721 -6.674) 24.642 20.985 ( 0.000 21.168 5.794) 21.947 21.117 ( 0.000 18.520 -7.603) 20.020 21.579 ( 0.000 3.554 13.827) 14.277 21.860 ( 0.000 2.108 -15.620) 15.761 23.520 ( 0.000 1.753 6.638) 6.865 23.590 ( 0.000 2.830 -0.250) 2.841 24.621 ( 0.000 -9.743 8.820) 13.142 24.741 ( 0.000 -14.653 -4.171) 15.235 25.975 ( 0.000 2.024 3.826) 4.328 26.046 ( 0.000 0.760 -3.995) 4.067 26.301 ( 0.000 -8.298 4.516) 9.447 26.388 ( 0.000 -4.660 -4.631) 6.570 26.642 ( 0.000 4.624 2.706) 5.357 26.648 ( 0.000 6.454 4.235) 7.719 26.772 ( 0.000 8.236 1.231) 8.328 26.936 ( 0.000 14.856 -14.255) 20.589 28.006 ( 0.000 10.795 -0.379) 10.802 28.011 ( 0.000 8.930 -0.853) 8.971 29.775 ( 0.000 -0.709 5.584) 5.629 29.901 ( 0.000 -3.541 -7.479) 8.275 33.543 ( 0.000 2.658 2.162) 3.426 33.573 ( 0.000 2.658 -0.984) 2.834 35.043 ( 0.000 -8.174 15.217) 17.273 35.307 ( 0.000 -12.792 -11.854) 17.440 ======================= Grid point 197 (66/80) ======================= q-point: ( 0.17 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( 13.111 13.500 16.792) 25.221 2.783 ( 6.549 12.546 0.626) 14.166 3.271 ( 13.161 39.219 18.083) 45.148 3.593 ( 13.516 21.590 -14.594) 29.356 4.389 ( -12.537 2.561 11.643) 17.301 4.457 ( 1.138 1.479 -0.479) 1.927 4.757 ( -6.501 2.238 22.270) 23.308 5.054 ( 10.967 7.481 12.014) 17.905 5.253 ( -19.401 0.648 -8.513) 21.196 5.506 ( -1.458 15.681 -12.943) 20.384 5.702 ( -4.470 29.021 8.140) 30.470 5.916 ( -18.296 12.437 -4.795) 22.637 6.000 ( -2.078 -5.338 11.121) 12.510 6.322 ( -10.034 3.992 -26.055) 28.204 6.763 ( 5.063 22.233 7.773) 24.091 6.871 ( 5.254 5.017 -2.675) 7.742 7.078 ( -14.330 -3.192 3.598) 15.115 7.130 ( -5.798 0.341 -1.018) 5.896 7.217 ( 6.148 31.946 5.412) 32.979 7.747 ( 30.157 13.548 -38.419) 50.685 8.144 ( 5.260 -14.372 3.810) 15.771 8.233 ( 1.810 -13.564 0.420) 13.690 8.327 ( 5.170 18.481 14.295) 23.929 8.539 ( -0.050 12.147 -7.221) 14.132 8.648 ( 1.148 8.452 -5.613) 10.211 8.688 ( 0.284 2.032 -4.956) 5.364 8.933 ( 1.874 1.957 18.071) 18.273 9.190 ( 6.341 -5.151 -6.339) 10.341 9.398 ( 9.646 11.062 -1.672) 14.772 9.445 ( 2.411 7.282 -6.045) 9.766 9.939 ( -2.481 -15.214 8.374) 17.543 10.083 ( -5.364 -19.091 -4.723) 20.385 10.486 ( 2.451 2.570 12.009) 12.523 10.585 ( -9.156 -2.170 4.946) 10.630 10.640 ( -1.574 0.597 -3.488) 3.873 10.753 ( -4.999 6.231 -4.796) 9.317 11.177 ( -4.806 8.992 13.531) 16.942 11.235 ( 5.396 3.409 5.074) 8.154 11.307 ( -1.910 9.333 -0.420) 9.535 11.387 ( -4.726 11.075 -6.647) 13.754 11.719 ( 4.090 4.111 1.863) 6.091 11.912 ( 1.732 4.905 -15.534) 16.382 12.191 ( -4.971 10.252 7.341) 13.554 12.369 ( -9.764 11.844 -10.133) 18.392 12.692 ( -4.726 12.619 1.461) 13.554 12.741 ( -3.782 16.776 -3.673) 17.585 13.482 ( 7.719 -10.020 17.635) 21.702 13.805 ( 11.688 -8.551 -5.192) 15.384 13.848 ( 0.133 -4.375 0.477) 4.403 13.892 ( -1.496 -4.944 -1.574) 5.400 14.165 ( 2.636 2.464 7.143) 8.003 14.285 ( 14.766 4.643 -11.264) 19.143 14.534 ( -9.072 -12.534 11.219) 19.112 14.740 ( -5.923 -16.237 -7.799) 18.962 15.228 ( -8.435 -28.660 10.893) 31.800 15.546 ( -4.540 -30.594 -20.201) 36.941 16.340 ( 3.971 -4.121 21.586) 22.332 16.810 ( -2.275 -1.951 -19.718) 19.945 16.835 ( -10.770 19.734 -1.676) 22.545 16.956 ( -10.183 24.558 -12.041) 29.185 17.406 ( -10.049 -15.946 4.272) 19.326 17.504 ( -6.123 -13.727 -5.579) 16.032 18.106 ( 4.089 4.615 6.371) 8.866 18.232 ( 2.277 3.696 -6.474) 7.795 18.528 ( 2.889 -5.015 1.391) 5.952 18.563 ( 2.574 -1.818 -2.441) 3.986 19.381 ( 10.513 -13.338 19.445) 25.817 19.548 ( 11.644 -11.372 0.361) 16.280 19.910 ( -1.641 -15.862 1.608) 16.028 19.995 ( 0.401 -13.957 -6.191) 15.274 20.279 ( 8.931 -10.829 1.261) 14.093 20.342 ( 7.687 -14.025 -4.850) 16.712 20.982 ( -0.089 20.616 5.308) 21.288 21.114 ( -0.308 17.884 -8.173) 19.666 21.636 ( 5.135 2.664 12.042) 13.359 21.886 ( 2.121 1.592 -14.167) 14.413 23.514 ( -0.417 1.845 6.305) 6.583 23.578 ( -1.038 2.792 0.009) 2.979 24.663 ( 3.700 -10.562 8.688) 14.168 24.773 ( 2.621 -14.731 -3.068) 15.274 25.985 ( 0.626 1.489 3.044) 3.446 26.042 ( -0.482 0.091 -3.365) 3.400 26.304 ( 0.560 -7.938 5.350) 9.589 26.401 ( 1.243 -4.370 -4.786) 6.599 26.595 ( -2.483 5.225 5.388) 7.905 26.668 ( -0.205 7.095 -1.459) 7.246 26.782 ( 1.168 9.069 3.489) 9.787 26.934 ( -0.345 15.372 -11.692) 19.316 28.035 ( 3.390 8.968 1.550) 9.712 28.073 ( 5.038 8.778 -2.441) 10.411 29.590 ( -15.099 -0.123 8.813) 17.484 29.755 ( -12.701 -2.895 -8.811) 15.726 33.559 ( 1.378 2.627 2.260) 3.729 33.592 ( 1.397 2.563 -1.081) 3.113 35.030 ( -0.559 -7.859 13.920) 15.995 35.289 ( -1.993 -11.895 -12.641) 17.472 ======================= Grid point 198 (67/80) ======================= q-point: ( 0.33 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( 10.328 13.523 10.834) 20.172 3.009 ( 19.252 10.792 6.854) 23.110 3.682 ( 13.946 22.712 24.315) 36.077 3.958 ( 10.761 16.190 -4.063) 19.860 4.055 ( 2.361 15.954 0.835) 16.149 4.297 ( -18.134 1.607 -11.473) 21.519 4.672 ( -0.626 4.214 7.066) 8.251 4.778 ( -14.069 4.401 -3.444) 15.139 5.191 ( -21.405 33.639 3.917) 40.064 5.349 ( -27.572 36.107 -12.526) 47.126 5.482 ( 18.756 3.635 18.683) 26.722 5.919 ( 15.655 0.426 -22.085) 27.074 5.966 ( -2.650 -7.700 12.571) 14.978 6.253 ( -0.818 -8.097 -16.124) 18.061 6.659 ( -12.794 -1.831 1.961) 13.072 6.696 ( -14.494 -1.015 -1.730) 14.632 6.909 ( 5.788 25.358 5.458) 26.577 7.067 ( -0.405 26.782 -9.904) 28.558 7.706 ( 25.302 13.658 29.630) 41.288 8.104 ( 1.532 -15.589 -2.267) 15.828 8.261 ( -0.081 -15.442 -3.603) 15.857 8.338 ( 8.484 11.389 -3.456) 14.615 8.494 ( -1.020 12.424 -1.564) 12.563 8.528 ( 15.050 16.089 -19.347) 29.320 8.699 ( 6.564 2.543 4.470) 8.339 8.786 ( 4.430 12.226 -3.500) 13.467 8.911 ( -1.682 7.788 16.319) 18.161 9.185 ( -1.854 -5.152 -7.384) 9.193 9.581 ( -3.730 -4.134 4.880) 7.404 9.677 ( 10.046 -3.352 0.304) 10.595 9.722 ( -8.728 -2.369 1.312) 9.138 9.883 ( -14.072 -10.776 -6.276) 18.803 10.250 ( -18.247 3.070 -1.855) 18.596 10.306 ( -10.690 0.609 -4.895) 11.774 10.663 ( 10.323 7.442 13.243) 18.367 10.870 ( 9.001 3.174 -4.694) 10.636 11.126 ( -1.990 9.714 9.145) 13.489 11.203 ( 0.353 6.085 1.457) 6.267 11.429 ( 10.335 -5.460 2.280) 11.909 11.518 ( 7.217 3.080 -4.928) 9.266 11.752 ( -4.078 6.078 2.760) 7.822 11.849 ( -9.885 2.736 -7.253) 12.562 12.091 ( 1.129 16.262 6.615) 17.592 12.229 ( -2.291 17.354 -5.746) 18.423 12.566 ( -5.929 10.343 -1.255) 11.988 12.610 ( -7.324 14.253 -5.209) 16.850 13.636 ( 6.037 -14.318 10.056) 18.508 13.841 ( -2.861 -8.449 -1.985) 9.139 13.918 ( 4.598 -7.125 -0.910) 8.528 14.040 ( 8.177 -1.654 -9.140) 12.375 14.271 ( 7.921 6.068 18.623) 21.127 14.321 ( -7.753 -13.250 9.523) 18.065 14.547 ( -3.113 -11.318 -11.346) 16.326 14.687 ( 12.655 0.631 -19.639) 23.372 14.943 ( -16.313 -9.266 14.443) 23.676 15.352 ( -12.941 -15.790 -24.646) 32.003 16.496 ( 10.178 -10.559 17.666) 22.960 16.639 ( -5.073 13.485 2.758) 14.669 16.692 ( -5.270 13.836 -2.999) 15.106 16.941 ( 5.622 -13.083 -22.791) 26.874 17.133 ( -14.481 -17.839 8.622) 24.541 17.328 ( -9.577 -16.008 -11.305) 21.813 18.203 ( 4.377 8.044 4.546) 10.224 18.280 ( 1.477 10.663 -3.238) 11.241 18.589 ( 2.467 -5.628 0.616) 6.176 18.614 ( 1.708 -2.204 -1.971) 3.414 19.605 ( 8.871 -18.716 16.991) 26.790 19.731 ( 4.501 -17.846 3.734) 18.780 19.899 ( 0.696 -19.170 0.044) 19.182 19.985 ( -1.402 -18.039 -6.211) 19.130 20.461 ( 6.680 -1.596 1.594) 7.050 20.506 ( 5.537 -1.244 -2.787) 6.322 20.995 ( 1.635 18.951 2.418) 19.174 21.098 ( -1.398 16.768 -7.869) 18.575 21.781 ( 7.303 0.726 5.844) 9.382 21.929 ( 1.130 0.452 -9.517) 9.595 23.508 ( 0.061 2.087 5.101) 5.512 23.549 ( -1.492 2.650 1.088) 3.230 24.762 ( 4.821 -12.541 7.482) 15.378 24.832 ( 2.166 -14.893 0.083) 15.050 25.991 ( -0.120 0.037 1.333) 1.339 26.020 ( -1.446 -1.032 -1.940) 2.631 26.337 ( 2.587 -6.420 6.420) 9.440 26.431 ( 0.759 -5.415 -2.061) 5.843 26.549 ( -1.128 7.885 3.278) 8.613 26.635 ( -2.541 8.146 -4.433) 9.616 26.821 ( 2.236 11.471 3.936) 12.332 26.914 ( -1.538 15.641 -5.691) 16.715 28.150 ( 6.736 7.083 3.854) 10.506 28.212 ( 6.717 7.288 -2.403) 10.198 29.245 ( -13.534 0.018 8.446) 15.953 29.414 ( -16.720 -1.723 -9.362) 19.239 33.594 ( 1.574 2.561 2.065) 3.647 33.618 ( 0.765 2.481 -0.363) 2.622 35.043 ( 2.050 -7.690 7.516) 10.946 35.217 ( -4.428 -10.002 -10.082) 14.876 ======================= Grid point 199 (68/80) ======================= q-point: (-0.50 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.195 ( -9.102 10.928 20.687) 25.105 3.195 ( 9.102 10.928 20.687) 25.105 3.772 ( -18.564 1.475 -9.140) 20.745 3.772 ( 18.564 1.475 -9.140) 20.745 4.327 ( -8.104 9.574 2.263) 12.746 4.327 ( 8.104 9.574 2.263) 12.746 4.712 ( -7.638 46.223 -5.065) 47.123 4.712 ( 7.638 46.223 -5.065) 47.123 4.809 ( -8.886 13.148 1.877) 15.980 4.809 ( 8.886 13.148 1.877) 15.980 5.833 ( -10.813 -4.029 12.848) 17.270 5.833 ( 10.813 -4.029 12.848) 17.270 6.185 ( -7.128 -6.946 -17.809) 20.401 6.185 ( 7.128 -6.946 -17.809) 20.401 6.512 ( -0.735 -2.056 -0.557) 2.253 6.512 ( 0.735 -2.056 -0.557) 2.253 7.024 ( -3.934 28.925 -2.453) 29.294 7.024 ( 3.934 28.925 -2.453) 29.294 8.070 ( -5.345 -7.329 6.058) 10.908 8.070 ( 5.345 -7.329 6.058) 10.908 8.353 ( -7.345 6.385 9.407) 13.536 8.353 ( 7.345 6.385 9.407) 13.536 8.547 ( -9.636 12.414 6.409) 16.971 8.547 ( 9.636 12.414 6.409) 16.971 8.829 ( -2.324 11.554 1.035) 11.831 8.829 ( 2.324 11.554 1.035) 11.831 9.161 ( -11.998 -4.908 3.904) 13.539 9.161 ( 11.998 -4.908 3.904) 13.539 9.332 ( -17.667 -4.350 -22.116) 28.639 9.332 ( 17.667 -4.350 -22.116) 28.639 9.827 ( -3.241 -4.421 -0.416) 5.497 9.827 ( 3.241 -4.421 -0.416) 5.497 10.127 ( -5.430 3.877 -2.003) 6.966 10.127 ( 5.430 3.877 -2.003) 6.966 10.923 ( -10.164 4.406 12.823) 16.945 10.923 ( 10.164 4.406 12.823) 16.945 11.149 ( -6.904 6.988 -1.619) 9.956 11.149 ( 6.904 6.988 -1.619) 9.956 11.590 ( -1.866 -5.558 -1.612) 6.081 11.590 ( 1.866 -5.558 -1.612) 6.081 11.674 ( -0.627 7.022 1.114) 7.137 11.674 ( 0.627 7.022 1.114) 7.137 12.179 ( -3.719 17.526 1.571) 17.985 12.179 ( 3.719 17.526 1.571) 17.985 12.498 ( -1.076 11.998 -5.085) 13.076 12.498 ( 1.076 11.998 -5.085) 13.076 13.754 ( -4.983 -13.772 -4.838) 15.424 13.754 ( 4.983 -13.772 -4.838) 15.424 14.032 ( -5.986 -2.982 5.464) 8.636 14.032 ( 5.986 -2.982 5.464) 8.636 14.339 ( -6.162 -8.823 -3.880) 11.440 14.339 ( 6.162 -8.823 -3.880) 11.440 14.588 ( -13.579 0.569 16.977) 21.748 14.588 ( 13.579 0.569 16.977) 21.748 15.032 ( -15.743 -4.517 -25.789) 30.550 15.032 ( 15.743 -4.517 -25.789) 30.550 16.597 ( -0.877 9.123 0.208) 9.168 16.597 ( 0.877 9.123 0.208) 9.168 16.808 ( -14.610 -16.102 13.965) 25.841 16.808 ( 14.610 -16.102 13.965) 25.841 17.114 ( -9.580 -16.800 -17.475) 26.065 17.114 ( 9.580 -16.800 -17.475) 26.065 18.276 ( -1.966 11.741 1.149) 11.960 18.276 ( 1.966 11.741 1.149) 11.960 18.625 ( -0.691 -4.234 -0.996) 4.404 18.625 ( 0.691 -4.234 -0.996) 4.404 19.740 ( -3.279 -20.207 11.425) 23.444 19.740 ( 3.279 -20.207 11.425) 23.444 19.939 ( -2.497 -19.403 -4.030) 19.974 19.939 ( 2.497 -19.403 -4.030) 19.974 20.549 ( -1.332 2.420 0.602) 2.827 20.549 ( 1.332 2.420 0.602) 2.827 21.050 ( -2.867 16.997 -3.743) 17.639 21.050 ( 2.867 16.997 -3.743) 17.639 21.907 ( -3.578 -0.149 -2.309) 4.261 21.907 ( 3.578 -0.149 -2.309) 4.261 23.520 ( -1.034 2.392 3.061) 4.020 23.520 ( 1.034 2.392 3.061) 4.020 24.840 ( -1.753 -14.372 4.284) 15.099 24.840 ( 1.753 -14.372 4.284) 15.099 25.993 ( -0.689 -1.020 -0.275) 1.261 25.993 ( 0.689 -1.020 -0.275) 1.261 26.403 ( -2.913 -5.615 5.177) 8.174 26.403 ( 2.913 -5.615 5.177) 8.174 26.573 ( -2.745 8.804 -3.548) 9.881 26.573 ( 2.745 8.804 -3.548) 9.881 26.871 ( -2.251 14.128 0.299) 14.310 26.871 ( 2.251 14.128 0.299) 14.310 28.275 ( -2.588 6.659 2.985) 7.743 28.275 ( 2.588 6.659 2.985) 7.743 29.139 ( -5.542 -0.923 -2.913) 6.329 29.139 ( 5.542 -0.923 -2.913) 6.329 33.619 ( -0.640 2.501 1.071) 2.795 33.619 ( 0.640 2.501 1.071) 2.795 35.116 ( -4.390 -8.400 -2.179) 9.725 35.116 ( 4.390 -8.400 -2.179) 9.725 ======================= Grid point 203 (69/80) ======================= q-point: ( 0.00 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( 0.000 29.704 12.439) 32.203 3.065 ( 0.000 25.381 -1.820) 25.446 3.849 ( 0.000 19.024 13.404) 23.272 3.944 ( 0.000 36.317 6.431) 36.882 4.473 ( 0.000 4.278 1.346) 4.485 4.560 ( 0.000 4.698 -6.484) 8.007 4.987 ( 0.000 -0.480 29.616) 29.620 5.181 ( 0.000 24.069 4.060) 24.409 5.597 ( 0.000 10.956 -4.060) 11.684 5.758 ( 0.000 4.804 11.997) 12.923 5.912 ( 0.000 -7.956 -14.094) 16.185 6.182 ( 0.000 3.371 4.820) 5.882 6.195 ( 0.000 1.117 -21.036) 21.065 6.348 ( 0.000 -0.495 -6.572) 6.591 6.970 ( 0.000 34.152 18.256) 38.725 7.181 ( 0.000 -6.550 -4.403) 7.892 7.214 ( 0.000 6.843 8.381) 10.820 7.688 ( 0.000 30.236 -36.251) 47.206 7.720 ( 0.000 -10.171 10.226) 14.422 7.856 ( 0.000 -6.035 -2.359) 6.480 8.004 ( 0.000 31.098 -1.689) 31.144 8.051 ( 0.000 45.152 -6.290) 45.588 8.335 ( 0.000 -4.568 2.906) 5.414 8.373 ( 0.000 -18.353 -9.090) 20.480 8.669 ( 0.000 8.804 7.069) 11.291 8.829 ( 0.000 10.202 -2.070) 10.410 9.328 ( 0.000 35.502 7.885) 36.367 9.372 ( 0.000 10.946 0.273) 10.950 9.478 ( 0.000 15.857 3.924) 16.336 9.658 ( 0.000 5.101 -10.868) 12.006 9.867 ( 0.000 5.267 -7.388) 9.073 9.891 ( 0.000 10.720 -3.454) 11.263 10.417 ( 0.000 -4.380 1.212) 4.544 10.417 ( 0.000 -12.770 0.768) 12.793 10.773 ( 0.000 15.692 8.081) 17.650 10.917 ( 0.000 10.420 -6.189) 12.120 11.387 ( 0.000 1.279 5.188) 5.343 11.411 ( 0.000 0.563 4.580) 4.615 11.601 ( 0.000 18.928 23.971) 30.542 11.690 ( 0.000 10.352 -1.062) 10.406 11.749 ( 0.000 7.802 -7.575) 10.874 12.066 ( 0.000 13.367 -22.320) 26.017 12.447 ( 0.000 11.783 17.914) 21.442 12.764 ( 0.000 12.508 -11.696) 17.125 13.045 ( 0.000 9.599 6.112) 11.380 13.125 ( 0.000 21.119 -4.563) 21.606 13.328 ( 0.000 -16.004 7.705) 17.762 13.350 ( 0.000 0.759 1.102) 1.339 13.814 ( 0.000 -8.483 -1.618) 8.636 13.821 ( 0.000 -6.873 -7.116) 9.893 14.018 ( 0.000 -3.324 16.270) 16.606 14.240 ( 0.000 -3.379 -5.588) 6.530 14.343 ( 0.000 -24.594 9.168) 26.248 14.402 ( 0.000 -5.313 9.001) 10.452 14.638 ( 0.000 -30.181 -0.742) 30.190 14.985 ( 0.000 -24.791 -27.808) 37.254 16.215 ( 0.000 -9.104 12.206) 15.227 16.484 ( 0.000 -25.302 -14.465) 29.145 17.230 ( 0.000 -12.616 3.210) 13.018 17.304 ( 0.000 -16.162 -2.864) 16.414 17.405 ( 0.000 13.360 11.043) 17.333 17.679 ( 0.000 10.202 -15.941) 18.926 18.026 ( 0.000 -7.768 1.712) 7.954 18.099 ( 0.000 -7.062 -5.846) 9.168 18.321 ( 0.000 -8.981 2.870) 9.429 18.395 ( 0.000 -8.284 -5.241) 9.803 18.965 ( 0.000 -18.528 19.968) 27.240 19.207 ( 0.000 -12.979 -5.179) 13.974 19.745 ( 0.000 -14.752 1.261) 14.806 19.775 ( 0.000 -18.586 -2.873) 18.807 19.836 ( 0.000 -10.660 -0.357) 10.666 19.896 ( 0.000 0.421 -5.872) 5.887 21.344 ( 0.000 16.149 3.798) 16.590 21.424 ( 0.000 13.348 -4.079) 13.958 21.683 ( 0.000 6.902 10.806) 12.822 21.916 ( 0.000 3.423 -13.429) 13.858 23.566 ( 0.000 3.043 7.665) 8.247 23.661 ( 0.000 4.364 -1.772) 4.710 24.401 ( 0.000 -12.087 3.988) 12.728 24.424 ( 0.000 -16.786 1.365) 16.842 26.034 ( 0.000 4.100 3.242) 5.227 26.073 ( 0.000 2.123 -1.267) 2.472 26.194 ( 0.000 -3.033 5.689) 6.447 26.320 ( 0.000 -2.238 -7.352) 7.685 26.739 ( 0.000 4.932 5.219) 7.180 26.790 ( 0.000 6.989 6.689) 9.674 26.913 ( 0.000 6.444 0.089) 6.445 27.163 ( 0.000 7.897 -19.439) 20.982 28.251 ( 0.000 15.396 1.581) 15.477 28.282 ( 0.000 16.894 -1.674) 16.977 29.746 ( 0.000 -2.498 1.525) 2.927 29.806 ( 0.000 -6.126 -4.500) 7.601 33.621 ( 0.000 5.481 2.266) 5.931 33.651 ( 0.000 5.493 -0.892) 5.565 34.834 ( 0.000 -12.949 11.325) 17.203 35.002 ( 0.000 -17.644 -5.595) 18.510 ======================= Grid point 204 (70/80) ======================= q-point: ( 0.17 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.029 ( 10.591 27.222 11.381) 31.348 3.156 ( 6.619 25.114 -0.627) 25.980 3.973 ( 12.700 21.634 11.889) 27.761 4.036 ( 6.417 29.104 9.863) 31.392 4.475 ( -8.801 5.648 2.288) 10.705 4.513 ( 0.509 5.068 -0.196) 5.097 4.838 ( -6.242 7.022 22.592) 24.468 5.315 ( -23.939 6.946 -14.342) 28.758 5.328 ( 9.926 17.973 11.402) 23.485 5.677 ( 2.138 4.652 -10.664) 11.830 5.858 ( -5.532 -7.567 -2.900) 9.812 5.952 ( 3.184 -7.065 -12.568) 14.765 6.463 ( -3.274 35.683 10.808) 37.427 6.673 ( 14.206 16.749 -6.488) 22.901 6.893 ( -9.115 2.235 5.905) 11.089 6.976 ( -14.466 -3.425 -3.781) 15.339 7.127 ( -7.109 18.456 0.512) 19.784 7.279 ( -11.785 26.551 -6.812) 29.837 7.759 ( 2.420 -16.315 8.077) 18.365 7.867 ( -0.140 -20.720 -2.727) 20.899 8.075 ( 4.847 38.512 -1.787) 38.856 8.178 ( 10.741 3.464 -8.769) 14.293 8.444 ( 3.259 -8.971 -3.517) 10.172 8.568 ( 7.220 10.470 -16.641) 20.945 8.776 ( 12.265 19.982 10.761) 25.797 8.922 ( 6.347 7.256 -0.568) 9.657 9.250 ( -4.304 22.843 7.424) 24.402 9.314 ( -3.720 13.611 -2.197) 14.280 9.559 ( 5.386 16.948 6.172) 18.824 9.690 ( 2.565 11.110 -8.670) 14.324 9.892 ( 1.598 14.589 -1.024) 14.712 9.920 ( 4.034 9.789 -3.531) 11.161 10.404 ( 0.424 -8.762 4.113) 9.689 10.501 ( 0.473 -7.622 -4.074) 8.655 10.767 ( -2.019 16.112 7.587) 17.923 10.906 ( -3.111 10.627 -5.397) 12.318 11.249 ( -7.803 -0.899 3.042) 8.423 11.279 ( -4.405 1.212 0.400) 4.586 11.508 ( -7.328 14.220 16.227) 22.786 11.730 ( 1.829 19.790 -2.141) 19.989 11.826 ( 6.949 6.979 1.926) 10.035 12.050 ( -2.203 9.245 -18.572) 20.862 12.443 ( -1.446 13.488 11.097) 17.526 12.655 ( -5.681 13.316 -9.450) 17.289 12.957 ( -7.264 12.022 11.229) 17.983 13.119 ( -8.013 17.282 -7.580) 20.502 13.253 ( 2.188 -9.347 14.056) 17.022 13.576 ( 13.288 -11.481 -11.247) 20.854 13.739 ( -1.611 -5.621 2.013) 6.184 13.800 ( -1.126 -6.796 0.176) 6.891 14.172 ( 4.817 -13.832 2.759) 14.904 14.195 ( -4.224 -18.545 3.574) 19.353 14.317 ( 1.560 -3.176 7.254) 8.071 14.465 ( 7.369 -0.444 0.362) 7.391 14.709 ( 3.943 -24.458 3.443) 25.011 14.995 ( 0.288 -25.124 -24.275) 34.937 16.187 ( -2.245 -13.227 9.325) 16.338 16.408 ( -5.990 -28.285 -12.410) 31.463 17.124 ( -10.059 -6.667 2.756) 12.379 17.213 ( -9.828 -0.796 -3.386) 10.426 17.246 ( -8.943 -3.434 6.641) 11.657 17.455 ( -16.005 14.552 -12.640) 25.054 18.046 ( 3.131 -10.194 6.004) 12.238 18.186 ( 7.039 -9.197 -8.338) 14.270 18.363 ( 2.179 -9.525 4.113) 10.601 18.447 ( 3.348 -8.252 -4.912) 10.170 19.034 ( 5.989 -21.040 19.548) 29.337 19.270 ( 4.701 -17.429 -5.168) 18.777 19.659 ( -2.807 -9.943 0.176) 10.333 19.695 ( -1.767 -14.651 -3.717) 15.218 20.112 ( 15.812 -6.113 0.092) 16.952 20.157 ( 16.775 -5.003 -4.344) 18.036 21.334 ( -0.689 15.961 3.516) 16.358 21.417 ( -0.566 13.497 -4.780) 14.329 21.717 ( 3.054 5.385 9.868) 11.650 21.929 ( 0.971 2.596 -12.271) 12.580 23.563 ( -0.173 3.243 7.195) 7.894 23.649 ( -1.081 4.384 -1.332) 4.708 24.424 ( 2.086 -13.483 4.609) 14.401 24.455 ( 2.442 -16.518 1.528) 16.767 26.033 ( -0.378 3.560 2.233) 4.219 26.060 ( -1.251 1.825 -0.865) 2.376 26.203 ( 1.224 -2.849 6.630) 7.320 26.334 ( 1.074 -2.513 -6.491) 7.043 26.721 ( -0.658 6.781 6.505) 9.419 26.819 ( 1.373 7.589 -0.574) 7.733 26.933 ( 1.990 6.493 3.703) 7.735 27.168 ( 0.149 8.182 -17.278) 19.118 28.270 ( 1.928 14.737 2.305) 15.041 28.310 ( 2.849 15.065 -2.036) 15.467 29.578 ( -13.902 -1.296 4.617) 14.706 29.677 ( -11.332 -4.999 -5.855) 13.699 33.637 ( 1.350 5.494 2.284) 6.101 33.668 ( 1.297 5.444 -0.931) 5.673 34.826 ( -0.202 -12.706 10.460) 16.459 34.999 ( -0.694 -17.164 -6.891) 18.509 ======================= Grid point 205 (71/80) ======================= q-point: ( 0.33 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.316 ( 8.465 24.253 8.126) 26.942 3.347 ( 17.400 23.037 5.291) 29.351 3.962 ( -15.331 11.996 27.023) 33.305 4.297 ( -3.372 11.896 -5.529) 13.544 4.322 ( 6.103 8.192 3.594) 10.830 4.458 ( -1.616 14.560 -7.218) 16.331 4.865 ( 7.699 14.824 11.187) 20.104 4.942 ( 1.174 12.609 3.346) 13.098 5.608 ( 12.701 11.732 2.510) 17.472 5.781 ( 0.083 1.713 -14.950) 15.049 5.836 ( 4.370 -1.901 5.152) 7.018 6.009 ( 0.545 6.027 -7.581) 9.700 6.184 ( -15.086 33.653 4.104) 37.107 6.373 ( -27.631 50.300 -14.896) 59.291 6.578 ( -11.676 -4.893 3.350) 13.095 6.653 ( -14.823 -3.038 -4.361) 15.747 7.263 ( 14.076 9.416 4.639) 17.559 7.414 ( 7.799 10.466 -7.570) 15.089 7.788 ( 0.611 -15.765 1.424) 15.841 7.878 ( 0.143 -20.606 -5.866) 21.425 8.246 ( 8.587 14.496 5.675) 17.779 8.346 ( 3.262 -18.558 -3.553) 19.174 8.525 ( 7.675 9.691 6.890) 14.153 8.729 ( 10.534 11.881 -4.961) 16.636 8.868 ( -3.752 0.029 4.669) 5.990 9.031 ( 1.684 8.325 -10.328) 13.372 9.219 ( 3.741 25.009 6.991) 26.236 9.338 ( 3.708 26.913 -3.741) 27.424 9.673 ( -2.627 14.150 14.965) 20.763 9.685 ( -3.457 16.525 6.321) 18.027 9.858 ( -3.347 13.831 -3.738) 14.713 9.971 ( -4.875 22.439 -8.749) 24.573 10.307 ( -6.527 3.669 -1.496) 7.635 10.369 ( -3.983 6.426 -5.990) 9.646 10.790 ( 6.208 6.266 7.554) 11.613 10.893 ( 4.082 -0.096 0.759) 4.153 11.218 ( 3.616 -0.250 2.378) 4.335 11.302 ( 1.909 6.606 0.142) 6.878 11.425 ( 0.979 7.104 11.290) 13.375 11.699 ( -6.247 13.556 -14.488) 20.801 11.921 ( 0.246 11.112 2.746) 11.449 11.969 ( -4.045 10.066 -1.274) 10.923 12.451 ( 4.722 18.620 8.467) 20.993 12.616 ( 1.031 17.662 -7.576) 19.246 12.747 ( -9.543 7.397 4.498) 12.885 12.869 ( -11.669 7.437 -7.617) 15.795 13.361 ( 4.379 -12.022 7.486) 14.823 13.630 ( -6.944 -11.393 -13.219) 18.782 13.759 ( 3.394 -8.167 5.476) 10.402 13.941 ( 10.938 -10.456 -4.103) 15.678 14.053 ( -4.422 -8.577 7.131) 11.999 14.246 ( 0.042 -18.965 -4.464) 19.483 14.408 ( 6.592 5.642 15.147) 17.456 14.681 ( 8.534 -5.865 -9.303) 13.920 14.725 ( -1.803 -8.839 6.566) 11.158 14.975 ( -2.384 -22.688 -19.056) 29.725 16.151 ( -0.073 -23.630 4.669) 24.087 16.283 ( -4.740 -35.322 -7.686) 36.458 16.862 ( -10.266 3.433 2.077) 11.022 16.957 ( -13.242 -1.070 -8.219) 15.622 17.078 ( -4.776 2.552 3.026) 6.203 17.181 ( -8.715 5.484 -6.830) 12.356 18.162 ( 6.590 -11.595 9.270) 16.242 18.332 ( 3.771 -6.612 -6.057) 9.728 18.391 ( 1.921 -14.158 3.472) 14.704 18.499 ( 0.937 -10.071 -5.568) 11.546 19.191 ( 7.716 -22.003 15.493) 27.995 19.361 ( 2.416 -20.324 -1.532) 20.524 19.629 ( -0.092 -6.948 0.027) 6.949 19.680 ( -0.485 -9.442 -4.511) 10.475 20.409 ( 10.475 -3.750 1.683) 11.252 20.462 ( 9.388 -3.545 -3.540) 10.640 21.330 ( 0.623 15.487 1.941) 15.621 21.399 ( -1.258 13.996 -4.869) 14.872 21.809 ( 5.027 1.967 5.449) 7.670 21.942 ( -0.149 0.745 -8.393) 8.428 23.565 ( 0.422 3.713 5.574) 6.711 23.618 ( -1.653 4.365 0.250) 4.674 24.481 ( 2.815 -15.483 5.114) 16.547 24.508 ( 2.003 -17.012 2.605) 17.327 26.015 ( -1.061 2.619 0.934) 2.976 26.025 ( -1.629 1.724 -0.195) 2.379 26.253 ( 3.112 -2.777 6.735) 7.922 26.349 ( -0.136 -3.356 -2.064) 3.942 26.728 ( 1.412 9.635 2.924) 10.168 26.822 ( -1.193 10.066 -5.783) 11.670 27.000 ( 3.957 6.811 4.707) 9.177 27.152 ( -1.836 8.554 -10.873) 13.956 28.347 ( 5.282 12.843 4.018) 14.457 28.408 ( 5.481 12.313 -2.264) 13.667 29.245 ( -14.031 -0.106 6.233) 15.354 29.369 ( -15.385 -2.947 -6.822) 17.086 33.671 ( 1.543 5.532 1.991) 6.079 33.693 ( 0.776 5.467 -0.291) 5.529 34.841 ( 1.691 -12.840 5.896) 14.230 34.962 ( -2.640 -15.663 -6.242) 17.066 ======================= Grid point 206 (72/80) ======================= q-point: (-0.50 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.528 ( -9.192 22.965 18.448) 30.858 3.528 ( 9.192 22.965 18.448) 30.858 3.881 ( -18.218 9.370 -6.703) 21.555 3.881 ( 18.218 9.370 -6.703) 21.555 4.461 ( -2.461 5.517 2.594) 6.575 4.461 ( 2.461 5.517 2.594) 6.575 5.097 ( -2.353 15.762 12.442) 20.218 5.097 ( 2.353 15.762 12.442) 20.218 5.710 ( -4.662 23.696 -11.571) 26.780 5.710 ( 4.662 23.696 -11.571) 26.780 5.887 ( -3.091 28.571 8.930) 30.093 5.887 ( 3.091 28.571 8.930) 30.093 6.081 ( -4.199 3.334 -13.448) 14.478 6.081 ( 4.199 3.334 -13.448) 14.478 6.452 ( -1.795 -3.778 -1.105) 4.326 6.452 ( 1.795 -3.778 -1.105) 4.326 7.462 ( -3.785 14.206 -3.972) 15.229 7.462 ( 3.785 14.206 -3.972) 15.229 7.831 ( -3.385 -16.817 -6.900) 18.490 7.831 ( 3.385 -16.817 -6.900) 18.490 8.355 ( -2.040 -17.402 1.018) 17.551 8.355 ( 2.040 -17.402 1.018) 17.551 8.738 ( -6.575 10.959 14.905) 19.634 8.738 ( 6.575 10.959 14.905) 19.634 9.026 ( -12.814 2.553 -6.540) 14.611 9.026 ( 12.814 2.553 -6.540) 14.611 9.263 ( -7.599 28.481 8.915) 30.796 9.263 ( 7.599 28.481 8.915) 30.796 9.565 ( -13.240 21.880 -1.343) 25.609 9.565 ( 13.240 21.880 -1.343) 25.609 9.854 ( -0.969 15.485 -4.040) 16.032 9.854 ( 0.969 15.485 -4.040) 16.032 10.317 ( -3.035 15.510 -3.767) 16.247 10.317 ( 3.035 15.510 -3.767) 16.247 10.946 ( -3.876 -1.908 6.224) 7.576 10.946 ( 3.876 -1.908 6.224) 7.576 11.284 ( -2.295 7.794 3.764) 8.955 11.284 ( 2.295 7.794 3.764) 8.955 11.523 ( -6.825 0.848 -4.467) 8.201 11.523 ( 6.825 0.848 -4.467) 8.201 11.914 ( -0.590 16.352 3.525) 16.738 11.914 ( 0.590 16.352 3.525) 16.738 12.573 ( -4.968 19.861 3.284) 20.734 12.573 ( 4.968 19.861 3.284) 20.734 12.694 ( -4.272 5.942 -7.999) 10.842 12.694 ( 4.272 5.942 -7.999) 10.842 13.458 ( -6.511 -16.570 -9.095) 19.992 13.458 ( 6.511 -16.570 -9.095) 19.992 13.892 ( -7.138 -8.703 16.053) 19.606 13.892 ( 7.138 -8.703 16.053) 19.606 14.181 ( -6.621 -8.139 -12.934) 16.654 14.181 ( 6.621 -8.139 -12.934) 16.654 14.571 ( -8.068 -2.539 15.173) 17.371 14.571 ( 8.068 -2.539 15.173) 17.371 14.879 ( -6.669 -11.858 -16.114) 21.089 14.879 ( 6.669 -11.858 -16.114) 21.089 16.197 ( -3.581 -35.434 -0.457) 35.617 16.197 ( 3.581 -35.434 -0.457) 35.617 16.767 ( -2.469 2.431 -3.344) 4.816 16.767 ( 2.469 2.431 -3.344) 4.816 17.055 ( -2.645 4.049 -2.922) 5.651 17.055 ( 2.645 4.049 -2.922) 5.651 18.293 ( -4.823 -10.451 7.810) 13.910 18.293 ( 4.823 -10.451 7.810) 13.910 18.475 ( -3.132 -11.788 -6.459) 13.801 18.475 ( 3.132 -11.788 -6.459) 13.801 19.334 ( -4.693 -21.132 8.288) 23.179 19.334 ( 4.693 -21.132 8.288) 23.179 19.654 ( -1.819 -6.287 -3.925) 7.632 19.654 ( 1.819 -6.287 -3.925) 7.632 20.543 ( -1.596 -2.835 0.056) 3.254 20.543 ( 1.596 -2.835 0.056) 3.254 21.362 ( -1.964 14.762 -1.889) 15.012 21.362 ( 1.964 14.762 -1.889) 15.012 21.906 ( -3.339 -0.051 -1.836) 3.811 21.906 ( 3.339 -0.051 -1.836) 3.811 23.584 ( -1.341 4.154 2.901) 5.241 23.584 ( 1.341 4.154 2.901) 5.241 24.524 ( -0.741 -16.944 4.267) 17.489 24.524 ( 0.741 -16.944 4.267) 17.489 26.003 ( -0.229 2.132 0.307) 2.166 26.003 ( 0.229 2.132 0.307) 2.166 26.319 ( -2.520 -3.380 3.787) 5.667 26.319 ( 2.520 -3.380 3.787) 5.667 26.776 ( -2.618 11.097 -2.963) 11.780 26.776 ( 2.618 11.097 -2.963) 11.780 27.088 ( -3.831 7.943 -2.193) 9.088 27.088 ( 3.831 7.943 -2.193) 9.088 28.460 ( -2.747 11.980 2.684) 12.581 28.460 ( 2.747 11.980 2.684) 12.581 29.116 ( -4.573 -1.475 -1.992) 5.201 29.116 ( 4.573 -1.475 -1.992) 5.201 33.696 ( -0.596 5.537 1.012) 5.660 33.696 ( 0.596 5.537 1.012) 5.660 34.896 ( -3.121 -13.927 -1.073) 14.313 34.896 ( 3.121 -13.927 -1.073) 14.313 ======================= Grid point 210 (73/80) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.562 ( 0.000 36.002 6.122) 36.519 3.612 ( 0.000 30.131 2.278) 30.217 4.152 ( 0.000 12.572 21.626) 25.015 4.431 ( 0.000 14.083 4.908) 14.914 4.551 ( 0.000 3.650 2.529) 4.440 4.659 ( 0.000 4.199 -16.776) 17.294 5.056 ( 0.000 6.353 38.947) 39.462 5.531 ( 0.000 -6.781 2.717) 7.305 5.620 ( 0.000 -6.849 -7.255) 9.977 5.640 ( 0.000 5.140 7.801) 9.342 5.953 ( 0.000 8.504 -12.991) 15.527 6.266 ( 0.000 11.461 -19.639) 22.739 6.329 ( 0.000 10.828 -4.528) 11.737 6.351 ( 0.000 -2.058 -4.152) 4.634 6.971 ( 0.000 -11.748 4.129) 12.453 7.067 ( 0.000 -0.356 -5.389) 5.400 7.356 ( 0.000 -18.158 0.438) 18.164 7.373 ( 0.000 -24.094 -5.617) 24.740 7.822 ( 0.000 -18.687 -0.067) 18.687 7.886 ( 0.000 -22.338 -2.893) 22.524 8.209 ( 0.000 54.363 29.026) 61.626 8.685 ( 0.000 24.779 -6.007) 25.497 8.767 ( 0.000 30.708 6.330) 31.354 8.831 ( 0.000 40.217 -2.632) 40.303 9.001 ( 0.000 9.659 0.825) 9.694 9.086 ( 0.000 31.002 -15.030) 34.453 9.459 ( 0.000 7.213 -4.769) 8.647 9.484 ( 0.000 -4.584 -11.379) 12.268 9.760 ( 0.000 6.498 12.343) 13.949 10.116 ( 0.000 1.962 -19.835) 19.932 10.158 ( 0.000 7.400 6.219) 9.666 10.287 ( 0.000 38.691 8.267) 39.564 10.348 ( 0.000 -1.647 -6.573) 6.776 10.415 ( 0.000 34.553 -7.368) 35.330 11.228 ( 0.000 16.261 -0.670) 16.275 11.244 ( 0.000 25.374 -1.251) 25.404 11.409 ( 0.000 6.825 2.117) 7.145 11.419 ( 0.000 10.501 1.003) 10.549 11.775 ( 0.000 3.591 7.834) 8.618 11.814 ( 0.000 -2.078 1.259) 2.430 12.100 ( 0.000 22.832 6.978) 23.874 12.361 ( 0.000 15.594 -14.087) 21.015 12.573 ( 0.000 -0.330 19.956) 19.959 12.885 ( 0.000 -1.255 -6.749) 6.864 12.942 ( 0.000 -17.969 16.488) 24.387 13.058 ( 0.000 -3.744 4.259) 5.670 13.243 ( 0.000 -28.657 11.247) 30.785 13.444 ( 0.000 -19.570 -9.739) 21.859 13.576 ( 0.000 4.208 2.448) 4.868 13.693 ( 0.000 10.864 -13.453) 17.292 13.963 ( 0.000 1.586 10.554) 10.672 13.977 ( 0.000 -6.861 -0.418) 6.874 14.160 ( 0.000 -2.814 -4.165) 5.027 14.253 ( 0.000 -8.284 -5.595) 9.996 14.554 ( 0.000 10.829 -1.091) 10.883 14.701 ( 0.000 -2.777 -16.429) 16.662 15.908 ( 0.000 -22.316 1.706) 22.381 15.927 ( 0.000 -30.875 0.008) 30.875 16.771 ( 0.000 -34.630 2.543) 34.723 16.798 ( 0.000 -35.394 -0.419) 35.397 17.614 ( 0.000 9.836 8.815) 13.208 17.657 ( 0.000 -5.830 2.469) 6.331 17.837 ( 0.000 -9.154 8.472) 12.473 18.082 ( 0.000 1.836 -13.167) 13.295 18.216 ( 0.000 -3.564 -1.663) 3.932 18.285 ( 0.000 -2.867 -9.584) 10.004 18.605 ( 0.000 -16.996 15.603) 23.072 18.891 ( 0.000 -17.054 -13.193) 21.561 19.414 ( 0.000 -14.032 0.206) 14.033 19.446 ( 0.000 -14.069 -3.109) 14.408 19.850 ( 0.000 4.704 5.486) 7.227 19.949 ( 0.000 2.773 -5.027) 5.741 21.603 ( 0.000 10.633 1.607) 10.754 21.632 ( 0.000 8.367 -1.105) 8.440 21.820 ( 0.000 6.810 6.471) 9.394 21.976 ( 0.000 2.345 -9.671) 9.951 23.637 ( 0.000 4.427 8.451) 9.541 23.752 ( 0.000 5.071 -3.059) 5.922 24.129 ( 0.000 -13.679 5.304) 14.671 24.181 ( 0.000 -10.606 0.178) 10.607 26.119 ( 0.000 2.325 1.341) 2.684 26.127 ( 0.000 5.193 2.629) 5.821 26.166 ( 0.000 -0.284 3.885) 3.896 26.295 ( 0.000 -0.653 -7.581) 7.609 26.822 ( 0.000 3.690 7.477) 8.338 26.886 ( 0.000 2.739 10.736) 11.080 27.027 ( 0.000 5.661 -6.483) 8.607 27.239 ( 0.000 0.606 -18.739) 18.749 28.565 ( 0.000 16.137 1.660) 16.222 28.611 ( 0.000 16.163 -2.986) 16.437 29.674 ( 0.000 -4.944 -1.133) 5.072 29.675 ( 0.000 -7.131 -1.132) 7.220 33.752 ( 0.000 8.010 2.429) 8.371 33.782 ( 0.000 7.978 -0.739) 8.012 34.572 ( 0.000 -13.593 7.690) 15.617 34.667 ( 0.000 -16.654 -1.741) 16.745 ======================= Grid point 211 (74/80) ======================= q-point: ( 0.17 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.606 ( 5.535 30.767 7.800) 32.220 3.696 ( 5.450 29.811 -0.565) 30.311 4.243 ( 7.306 9.308 18.517) 21.975 4.456 ( 0.791 13.752 14.598) 20.071 4.548 ( -3.025 1.872 -1.120) 3.729 4.665 ( 1.572 8.474 -5.572) 10.263 5.050 ( 1.935 11.904 29.493) 31.863 5.420 ( -18.163 0.263 10.766) 21.116 5.586 ( 0.745 -7.016 -2.383) 7.447 5.678 ( 0.270 2.055 -3.185) 3.800 5.761 ( 3.581 13.577 -22.942) 26.898 5.954 ( -5.595 6.929 -20.126) 22.009 6.599 ( -2.490 -11.157 3.669) 12.006 6.669 ( 10.728 -7.810 -2.970) 13.598 6.948 ( 1.640 8.772 7.702) 11.788 7.141 ( 9.724 3.087 -7.305) 12.548 7.246 ( -0.897 -18.536 -1.294) 18.603 7.368 ( -1.297 -25.473 -11.588) 28.015 7.796 ( -7.539 -0.791 9.500) 12.153 7.942 ( -8.643 11.708 -1.142) 14.597 8.131 ( -10.362 11.946 2.707) 16.044 8.177 ( -9.163 32.247 1.036) 33.540 8.715 ( 3.978 16.592 4.804) 17.726 8.905 ( -3.684 10.885 -8.359) 14.210 9.028 ( -5.760 8.118 0.735) 9.980 9.178 ( -2.372 9.008 -12.917) 15.926 9.490 ( 9.563 21.817 6.259) 24.629 9.614 ( 10.315 22.424 -4.992) 25.182 9.949 ( 11.352 2.681 8.634) 14.512 10.135 ( -2.136 3.947 12.658) 13.430 10.217 ( 10.043 13.755 -17.247) 24.238 10.313 ( 4.583 27.840 11.225) 30.366 10.432 ( 5.204 17.815 -16.809) 25.040 10.472 ( 5.985 27.395 -4.163) 28.349 11.111 ( -15.152 10.223 5.524) 19.095 11.240 ( -7.212 20.851 -5.700) 22.787 11.292 ( -2.479 15.895 4.733) 16.769 11.387 ( 4.288 15.821 -3.425) 16.746 11.796 ( -0.909 13.279 13.740) 19.130 11.922 ( 7.966 -1.518 0.140) 8.111 12.050 ( -0.443 10.581 3.761) 11.238 12.266 ( -9.000 14.451 -14.901) 22.624 12.599 ( 1.222 1.359 10.764) 10.918 12.754 ( -2.537 -4.086 -2.407) 5.378 12.900 ( -6.696 -9.780 20.461) 23.646 13.090 ( -4.982 -11.488 1.427) 12.603 13.327 ( -3.798 -3.579 0.822) 5.283 13.405 ( 10.920 -20.720 4.811) 23.911 13.629 ( -0.404 -2.482 3.131) 4.015 13.706 ( 0.435 3.654 -10.903) 11.507 13.876 ( -6.527 -2.377 -6.054) 9.214 13.926 ( 4.119 -2.260 -8.917) 10.079 14.214 ( 2.536 -10.424 8.786) 13.867 14.378 ( 7.600 -8.959 1.051) 11.795 14.593 ( 2.776 3.832 -4.342) 6.422 14.679 ( -2.149 -2.822 -15.646) 16.043 15.792 ( -7.401 -24.901 3.498) 26.212 15.885 ( -5.327 -25.299 -5.615) 26.457 16.727 ( -3.765 -31.830 2.359) 32.138 16.770 ( -3.222 -32.178 -1.815) 32.390 17.439 ( -10.685 8.472 13.437) 19.144 17.618 ( -7.683 2.026 -0.849) 7.991 17.857 ( -1.618 -5.523 1.552) 5.961 18.005 ( 2.517 -6.066 -8.314) 10.595 18.198 ( -3.316 -8.565 0.282) 9.189 18.298 ( -0.608 -6.095 -7.398) 9.605 18.649 ( 4.981 -17.943 15.802) 24.423 18.916 ( 2.575 -18.179 -11.535) 21.683 19.485 ( 6.801 -6.419 0.951) 9.400 19.514 ( 5.251 -5.020 -2.102) 7.562 20.047 ( 13.987 -1.049 2.825) 14.308 20.118 ( 13.008 -0.875 -4.656) 13.844 21.593 ( -0.746 10.785 1.421) 10.903 21.630 ( -0.093 8.661 -2.174) 8.930 21.823 ( 0.358 5.270 6.611) 8.462 21.972 ( -0.509 1.465 -8.946) 9.079 23.639 ( 0.251 4.739 7.851) 9.174 23.741 ( -0.939 5.239 -2.423) 5.848 24.148 ( 1.659 -13.815 5.290) 14.886 24.195 ( 1.153 -11.406 0.765) 11.489 26.105 ( -1.178 2.584 1.321) 3.132 26.117 ( -1.142 4.864 0.760) 5.054 26.175 ( 1.158 -0.559 5.747) 5.889 26.299 ( 0.147 -1.414 -6.050) 6.214 26.836 ( 1.605 5.045 7.166) 8.910 26.927 ( 3.241 3.198 5.594) 7.213 27.045 ( 1.477 5.632 -4.184) 7.170 27.250 ( 0.687 0.963 -17.292) 17.333 28.566 ( 0.454 15.063 1.906) 15.190 28.608 ( 0.221 14.761 -2.418) 14.960 29.533 ( -11.638 -3.509 1.434) 12.239 29.570 ( -9.645 -5.832 -2.542) 11.555 33.770 ( 1.511 8.224 2.370) 8.691 33.800 ( 1.434 8.206 -0.793) 8.368 34.567 ( -0.249 -13.738 7.140) 15.485 34.666 ( -0.333 -16.865 -2.754) 17.092 ======================= Grid point 212 (75/80) ======================= q-point: ( 0.33 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.799 ( 9.955 23.200 5.051) 25.746 3.825 ( 8.502 25.262 3.082) 26.832 4.226 ( -11.522 13.821 19.218) 26.327 4.422 ( -5.592 4.304 0.680) 7.090 4.496 ( 1.978 9.464 11.830) 15.278 4.688 ( -4.780 11.269 -4.456) 13.027 5.097 ( 3.012 8.729 21.824) 23.697 5.249 ( 9.263 14.141 18.179) 24.825 5.618 ( 3.517 -7.291 -17.128) 18.945 5.765 ( 6.673 -5.795 -10.598) 13.800 5.930 ( 8.102 15.630 -9.169) 19.850 5.991 ( 4.463 4.292 -13.130) 14.517 6.387 ( -10.619 -9.780 8.114) 16.560 6.551 ( -11.426 -6.485 -7.629) 15.193 7.048 ( -8.366 30.447 14.885) 34.908 7.191 ( -2.526 -3.615 4.362) 6.203 7.262 ( -6.875 -14.110 -2.827) 15.949 7.458 ( -9.890 -5.375 -4.477) 12.114 7.483 ( 11.492 14.375 -15.642) 24.153 7.672 ( -1.581 2.464 -11.828) 12.185 8.056 ( -1.279 0.646 3.985) 4.235 8.167 ( -2.965 -4.883 -7.325) 9.289 8.738 ( -5.207 -7.236 -2.328) 9.213 8.792 ( -7.309 -5.693 -6.709) 11.439 9.030 ( 12.654 23.162 9.008) 27.888 9.205 ( 8.534 16.020 -6.358) 19.233 9.638 ( 2.206 19.553 9.478) 21.841 9.773 ( 0.392 20.335 -4.324) 20.794 10.014 ( -5.188 2.177 10.263) 11.704 10.045 ( -5.410 5.214 8.370) 11.247 10.439 ( 5.832 30.001 3.399) 30.751 10.521 ( 9.775 31.549 4.170) 33.291 10.569 ( 5.947 35.719 -6.288) 36.753 10.621 ( 7.270 22.284 -5.263) 24.023 10.855 ( -0.903 4.356 6.012) 7.478 11.022 ( -8.235 16.328 -8.198) 20.041 11.334 ( 4.681 14.618 6.939) 16.845 11.499 ( 2.359 11.541 -2.265) 11.995 11.708 ( -1.367 26.658 10.499) 28.683 11.963 ( -11.490 12.696 -15.525) 23.113 12.135 ( 5.268 7.729 4.295) 10.292 12.170 ( 6.308 5.314 0.093) 8.249 12.592 ( -9.601 -7.596 8.859) 15.112 12.640 ( -4.188 -7.261 1.406) 8.499 12.814 ( 3.844 -3.645 3.717) 6.472 12.973 ( -2.345 5.756 -4.986) 7.968 13.213 ( -6.164 -3.918 3.104) 7.936 13.435 ( -12.837 -11.530 -18.410) 25.232 13.645 ( 3.561 -4.541 8.616) 10.370 13.732 ( 6.733 -4.646 2.847) 8.662 13.901 ( 5.844 -11.895 9.105) 16.080 14.069 ( 3.167 4.487 -7.213) 9.066 14.261 ( 5.409 -18.886 4.876) 20.241 14.507 ( 2.709 -21.397 -9.597) 23.607 14.607 ( -4.051 -1.850 -7.835) 9.012 14.624 ( -0.390 -9.728 -4.058) 10.548 15.659 ( -3.778 -19.803 0.413) 20.165 15.743 ( -6.356 -21.270 -7.852) 23.547 16.623 ( -4.974 -24.677 0.927) 25.190 16.660 ( -6.018 -25.402 -2.998) 26.277 17.246 ( -5.443 10.665 8.978) 14.966 17.387 ( -10.806 10.425 -5.695) 16.059 17.871 ( 3.875 -15.269 12.001) 19.803 18.087 ( -4.658 -17.103 -0.990) 17.753 18.145 ( 5.439 -7.743 -2.394) 9.760 18.273 ( -1.314 -9.452 -7.270) 11.997 18.798 ( 7.532 -19.510 11.865) 24.044 18.966 ( 0.971 -20.686 -5.090) 21.325 19.638 ( 6.029 6.861 -0.799) 9.168 19.652 ( 6.097 5.031 -1.944) 8.140 20.321 ( 9.955 -5.499 1.822) 11.518 20.377 ( 8.520 -5.547 -3.876) 10.880 21.585 ( 0.303 10.914 1.007) 10.965 21.627 ( -0.433 9.630 -3.006) 10.098 21.844 ( 1.766 1.468 4.458) 5.014 21.948 ( -1.776 -0.427 -6.344) 6.602 23.651 ( 0.919 5.372 5.907) 8.038 23.713 ( -1.562 5.593 -0.356) 5.818 24.191 ( 2.018 -14.157 4.951) 15.133 24.220 ( 0.894 -13.033 2.234) 13.253 26.077 ( -1.128 3.302 1.115) 3.663 26.085 ( -1.456 4.367 0.450) 4.625 26.214 ( 2.246 -1.546 5.366) 6.019 26.293 ( -0.812 -2.650 -1.846) 3.330 26.895 ( 3.552 7.395 3.034) 8.747 26.991 ( 1.537 6.912 -5.145) 8.752 27.091 ( 3.205 3.368 2.380) 5.223 27.247 ( -1.502 1.757 -12.140) 12.358 28.606 ( 3.625 13.028 2.794) 13.808 28.648 ( 3.730 11.765 -1.625) 12.448 29.236 ( -13.645 -0.954 3.579) 14.139 29.304 ( -13.539 -3.774 -3.586) 14.506 33.808 ( 1.738 8.714 1.969) 9.101 33.830 ( 0.999 8.763 -0.291) 8.824 34.573 ( 0.923 -14.597 4.289) 15.242 34.645 ( -1.555 -16.713 -2.935) 17.040 ======================= Grid point 213 (76/80) ======================= q-point: (-0.50 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.967 ( -8.206 18.166 12.555) 23.558 3.967 ( 8.206 18.166 12.555) 23.558 4.146 ( -15.038 18.593 -2.043) 24.001 4.146 ( 15.038 18.593 -2.043) 24.001 4.568 ( -4.003 7.255 6.814) 10.728 4.568 ( 4.003 7.255 6.814) 10.728 5.296 ( -7.331 3.509 23.577) 24.939 5.296 ( 7.331 3.509 23.577) 24.939 5.795 ( -8.521 -0.674 -25.147) 26.560 5.795 ( 8.521 -0.674 -25.147) 26.560 6.024 ( -0.915 6.893 3.512) 7.790 6.024 ( 0.915 6.893 3.512) 7.790 6.337 ( -6.329 -4.645 -5.333) 9.490 6.337 ( 6.329 -4.645 -5.333) 9.490 6.904 ( -4.965 38.100 6.313) 38.938 6.904 ( 4.965 38.100 6.313) 38.938 7.366 ( -5.176 -27.070 -1.347) 27.594 7.366 ( 5.176 -27.070 -1.347) 27.594 7.661 ( -3.959 4.238 -16.118) 17.129 7.661 ( 3.959 4.238 -16.118) 17.129 8.063 ( -4.177 -5.815 -3.497) 7.967 8.063 ( 4.177 -5.815 -3.497) 7.967 8.679 ( -1.470 -10.261 -4.189) 11.180 8.679 ( 1.470 -10.261 -4.189) 11.180 9.382 ( -9.088 28.158 4.432) 29.919 9.382 ( 9.088 28.158 4.432) 29.919 9.562 ( -5.325 6.490 4.319) 9.441 9.562 ( 5.325 6.490 4.319) 9.441 9.984 ( -0.888 14.454 5.831) 15.611 9.984 ( 0.888 14.454 5.831) 15.611 10.519 ( -2.499 37.409 8.662) 38.480 10.519 ( 2.499 37.409 8.662) 38.480 10.709 ( -3.705 21.110 -2.426) 21.570 10.709 ( 3.705 21.110 -2.426) 21.570 10.926 ( -2.297 9.779 -1.738) 10.195 10.926 ( 2.297 9.779 -1.738) 10.195 11.466 ( -5.288 10.708 -0.979) 11.983 11.466 ( 5.288 10.708 -0.979) 11.983 11.760 ( -5.544 27.471 4.369) 28.364 11.760 ( 5.544 27.471 4.369) 28.364 12.217 ( -1.394 10.023 4.583) 11.109 12.217 ( 1.394 10.023 4.583) 11.109 12.498 ( -4.507 -15.763 -6.266) 17.551 12.498 ( 4.507 -15.763 -6.266) 17.551 12.988 ( -4.412 12.084 1.494) 12.951 12.988 ( 4.412 12.084 1.494) 12.951 13.144 ( -7.362 -12.585 -12.103) 18.949 13.144 ( 7.362 -12.585 -12.103) 18.949 13.750 ( -3.919 -6.146 10.204) 12.540 13.750 ( 3.919 -6.146 10.204) 12.540 14.039 ( -5.129 -8.371 5.887) 11.447 14.039 ( 5.129 -8.371 5.887) 11.447 14.429 ( -7.869 -13.826 -12.019) 19.938 14.429 ( 7.869 -13.826 -12.019) 19.938 14.592 ( -1.759 -16.988 -2.937) 17.330 14.592 ( 1.759 -16.988 -2.937) 17.330 15.645 ( -2.303 -17.448 -4.640) 18.201 15.645 ( 2.303 -17.448 -4.640) 18.201 16.570 ( -1.071 -21.176 -1.653) 21.268 16.570 ( 1.071 -21.176 -1.653) 21.268 17.226 ( -3.495 11.118 1.268) 11.723 17.226 ( 3.495 11.118 1.268) 11.723 17.975 ( -5.166 -19.783 9.149) 22.400 17.975 ( 5.166 -19.783 9.149) 22.400 18.236 ( -2.590 -8.785 -6.977) 11.513 18.236 ( 2.590 -8.785 -6.977) 11.513 18.932 ( -4.183 -20.963 4.283) 21.801 18.932 ( 4.183 -20.963 4.283) 21.801 19.717 ( -0.592 10.765 -2.369) 11.039 19.717 ( 0.592 10.765 -2.369) 11.039 20.450 ( -1.622 -6.998 -0.737) 7.221 20.450 ( 1.622 -6.998 -0.737) 7.221 21.606 ( -1.335 10.596 -0.840) 10.713 21.606 ( 1.335 10.596 -0.840) 10.713 21.896 ( -2.755 -1.131 -1.335) 3.263 21.896 ( 2.755 -1.131 -1.335) 3.263 23.678 ( -1.548 5.737 2.814) 6.575 23.678 ( 1.548 5.737 2.814) 6.575 24.223 ( -0.726 -14.116 3.876) 14.657 24.223 ( 0.726 -14.116 3.876) 14.657 26.066 ( -0.192 4.023 0.764) 4.099 26.066 ( 0.192 4.023 0.764) 4.099 26.262 ( -1.958 -2.720 2.645) 4.269 26.262 ( 1.958 -2.720 2.645) 4.269 26.971 ( -2.901 8.851 -3.120) 9.823 26.971 ( 2.901 8.851 -3.120) 9.823 27.181 ( -4.255 2.069 -3.464) 5.864 27.181 ( 4.255 2.069 -3.464) 5.864 28.699 ( -2.267 12.005 1.872) 12.360 28.699 ( 2.267 12.005 1.872) 12.360 29.081 ( -3.167 -2.283 -0.904) 4.008 29.081 ( 3.167 -2.283 -0.904) 4.008 33.835 ( -0.596 9.032 0.946) 9.101 33.835 ( 0.596 9.032 0.946) 9.101 34.605 ( -1.916 -15.830 -0.073) 15.945 34.605 ( 1.916 -15.830 -0.073) 15.945 ======================= Grid point 217 (77/80) ======================= q-point: ( 0.00 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.136 ( 0.000 21.030 10.618) 23.559 4.234 ( 0.000 31.966 1.343) 31.994 4.308 ( 0.000 2.279 17.257) 17.406 4.573 ( 0.000 1.936 1.660) 2.550 4.602 ( 0.000 1.547 5.951) 6.149 4.676 ( 0.000 -4.901 -10.144) 11.266 4.997 ( 0.000 -8.011 19.631) 21.203 5.166 ( 0.000 -20.108 0.398) 20.112 5.683 ( 0.000 12.879 6.272) 14.325 5.813 ( 0.000 3.288 15.422) 15.768 6.106 ( 0.000 4.699 -16.707) 17.356 6.208 ( 0.000 -7.766 -7.735) 10.961 6.505 ( 0.000 7.215 -5.100) 8.835 6.553 ( 0.000 10.388 -5.815) 11.905 6.903 ( 0.000 3.591 0.434) 3.617 6.938 ( 0.000 -15.906 -13.666) 20.970 7.060 ( 0.000 -6.414 -2.902) 7.040 7.158 ( 0.000 7.534 -8.693) 11.503 7.399 ( 0.000 -22.345 5.564) 23.027 7.466 ( 0.000 -16.902 -3.203) 17.203 8.893 ( 0.000 5.894 12.101) 13.460 8.901 ( 0.000 8.451 10.471) 13.456 9.181 ( 0.000 11.339 3.773) 11.950 9.299 ( 0.000 -0.495 -9.126) 9.139 9.353 ( 0.000 21.087 11.199) 23.876 9.452 ( 0.000 5.625 -1.469) 5.814 9.655 ( 0.000 11.866 -1.000) 11.908 9.821 ( 0.000 19.859 -12.359) 23.390 9.894 ( 0.000 4.418 6.656) 7.989 9.975 ( 0.000 25.526 2.909) 25.691 10.283 ( 0.000 -6.746 -10.482) 12.465 10.381 ( 0.000 2.419 -20.946) 21.086 10.836 ( 0.000 7.193 -1.126) 7.281 10.911 ( 0.000 12.841 -5.856) 14.113 11.356 ( 0.000 -12.226 5.061) 13.232 11.457 ( 0.000 -4.348 -4.171) 6.025 11.617 ( 0.000 12.312 6.499) 13.921 11.660 ( 0.000 10.910 4.017) 11.626 11.870 ( 0.000 18.729 3.798) 19.110 11.964 ( 0.000 12.415 -5.233) 13.472 12.475 ( 0.000 12.065 4.768) 12.973 12.478 ( 0.000 0.324 21.304) 21.306 12.621 ( 0.000 -11.821 14.046) 18.359 12.666 ( 0.000 7.778 -2.676) 8.226 12.716 ( 0.000 -16.840 -5.898) 17.843 12.790 ( 0.000 -5.820 -1.950) 6.138 12.895 ( 0.000 -20.221 -4.929) 20.813 12.932 ( 0.000 -12.376 -0.209) 12.378 13.794 ( 0.000 11.497 9.190) 14.719 13.817 ( 0.000 2.286 1.769) 2.890 14.052 ( 0.000 -1.774 -14.342) 14.451 14.070 ( 0.000 4.511 -11.989) 12.809 14.146 ( 0.000 16.355 8.916) 18.627 14.313 ( 0.000 12.861 -10.284) 16.467 14.601 ( 0.000 -12.110 5.591) 13.339 14.693 ( 0.000 -9.741 -5.287) 11.084 15.509 ( 0.000 -3.006 0.855) 3.125 15.558 ( 0.000 -5.050 -3.694) 6.256 16.094 ( 0.000 -29.372 -0.427) 29.375 16.098 ( 0.000 -31.056 -1.564) 31.095 17.582 ( 0.000 -0.202 19.292) 19.293 17.666 ( 0.000 -7.592 21.728) 23.016 17.843 ( 0.000 13.477 1.132) 13.524 18.097 ( 0.000 -3.269 -21.725) 21.970 18.151 ( 0.000 -10.020 8.857) 13.373 18.155 ( 0.000 -2.660 -6.510) 7.033 18.472 ( 0.000 4.366 -6.116) 7.514 18.625 ( 0.000 -10.567 -14.755) 18.148 19.238 ( 0.000 -4.183 0.124) 4.185 19.255 ( 0.000 -5.687 -1.511) 5.885 19.935 ( 0.000 3.454 2.834) 4.468 19.973 ( 0.000 -0.430 -1.287) 1.357 21.741 ( 0.000 3.594 1.449) 3.875 21.744 ( 0.000 3.114 1.092) 3.299 21.932 ( 0.000 4.689 0.591) 4.726 21.990 ( 0.000 -1.109 -5.147) 5.265 23.742 ( 0.000 6.735 8.395) 10.763 23.859 ( 0.000 5.989 -3.544) 6.959 23.903 ( 0.000 -9.692 7.776) 12.425 23.999 ( 0.000 -8.309 -2.123) 8.576 26.153 ( 0.000 1.094 2.890) 3.090 26.163 ( 0.000 -0.085 4.075) 4.076 26.223 ( 0.000 4.116 -1.492) 4.378 26.278 ( 0.000 -1.622 -5.009) 5.265 26.878 ( 0.000 2.163 9.464) 9.708 26.904 ( 0.000 -0.436 11.175) 11.184 27.130 ( 0.000 4.890 -11.831) 12.802 27.209 ( 0.000 -3.204 -15.703) 16.026 28.821 ( 0.000 9.019 -0.367) 9.026 28.848 ( 0.000 6.769 -3.081) 7.438 29.560 ( 0.000 -3.595 0.562) 3.638 29.574 ( 0.000 -4.428 -0.925) 4.523 33.910 ( 0.000 7.289 2.212) 7.617 33.933 ( 0.000 5.908 -0.097) 5.909 34.351 ( 0.000 -7.449 4.653) 8.782 34.391 ( 0.000 -10.799 0.602) 10.816 ======================= Grid point 218 (78/80) ======================= q-point: ( 0.17 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.117 ( -0.310 20.025 10.665) 22.690 4.238 ( 0.030 23.887 -3.254) 24.107 4.325 ( 0.787 -1.574 15.649) 15.747 4.522 ( -3.412 -5.615 -3.806) 7.593 4.675 ( 7.072 10.905 14.083) 19.164 4.823 ( 8.691 6.872 -2.331) 11.323 5.004 ( 1.448 -10.706 19.585) 22.368 5.188 ( 2.145 -18.638 1.597) 18.829 5.688 ( -1.137 16.632 9.252) 19.066 5.831 ( 0.459 5.405 15.378) 16.307 6.080 ( 1.293 14.389 -21.012) 25.499 6.120 ( -6.654 7.855 -9.529) 14.028 6.420 ( -6.011 -3.874 -2.308) 7.515 6.478 ( -1.519 -6.024 -5.985) 8.627 6.709 ( -9.665 -21.569 -9.087) 25.322 6.804 ( -9.502 -26.450 -19.515) 34.216 7.223 ( 15.194 15.461 8.395) 23.246 7.369 ( 13.577 7.297 -5.932) 16.515 7.576 ( 8.396 -9.648 9.726) 16.067 7.703 ( 10.789 -16.309 -2.534) 19.718 8.554 ( -23.131 16.881 9.499) 30.170 8.786 ( -12.768 -6.815 4.896) 15.279 8.855 ( -22.095 15.892 -18.704) 33.024 8.985 ( -16.695 -2.335 -16.097) 23.308 9.330 ( 1.242 29.026 11.485) 31.241 9.458 ( 0.831 17.607 0.231) 17.628 9.788 ( 5.690 -12.843 7.432) 15.891 9.840 ( -0.224 -16.903 2.847) 17.142 10.014 ( 5.953 24.385 8.888) 26.628 10.112 ( 5.468 15.132 4.771) 16.782 10.484 ( 17.795 12.600 -13.742) 25.773 10.583 ( 17.904 4.563 -17.707) 25.591 10.840 ( 2.466 16.144 7.590) 18.008 11.021 ( 2.210 20.733 -10.433) 23.315 11.422 ( 4.093 -24.897 5.107) 25.743 11.456 ( -3.394 9.915 2.410) 10.754 11.602 ( 0.464 8.436 2.117) 8.710 11.617 ( -2.636 5.965 2.277) 6.908 11.833 ( 0.438 15.670 4.833) 16.404 11.933 ( -0.967 7.668 -4.925) 9.165 12.271 ( -5.419 11.495 8.464) 15.269 12.460 ( -7.344 -6.735 -0.430) 9.974 12.583 ( -2.198 -0.709 -2.315) 3.270 12.624 ( -1.105 -5.853 -3.762) 7.045 12.744 ( 3.948 -0.367 14.758) 15.282 12.876 ( 5.356 -2.133 4.673) 7.421 13.045 ( 8.004 -11.028 2.878) 13.927 13.141 ( 12.325 -13.890 -0.987) 18.596 13.647 ( -9.348 8.404 10.170) 16.169 13.785 ( -3.423 2.813 5.105) 6.760 13.950 ( -8.395 5.238 -11.787) 15.390 14.054 ( -0.960 1.123 -15.343) 15.414 14.167 ( -0.151 6.368 -0.070) 6.370 14.254 ( -4.707 7.471 -7.105) 11.334 14.506 ( -8.562 -17.030 3.316) 19.348 14.611 ( -7.115 -13.864 -9.174) 18.083 15.532 ( 1.931 2.314 0.467) 3.050 15.575 ( 1.787 1.544 -3.795) 4.470 16.081 ( -0.330 -28.952 1.497) 28.992 16.123 ( 0.739 -29.886 -2.830) 30.029 17.520 ( -5.103 1.161 20.755) 21.404 17.572 ( -6.193 -4.272 19.427) 20.833 17.879 ( -3.966 5.549 -10.659) 12.654 17.964 ( -4.960 -1.241 -18.342) 19.041 18.072 ( -4.324 0.045 9.505) 10.443 18.232 ( 5.589 -7.492 2.860) 9.775 18.406 ( -4.240 -0.478 -2.840) 5.126 18.594 ( -1.520 -14.849 -13.437) 20.084 19.438 ( 15.991 0.380 -0.114) 15.996 19.460 ( 15.496 -1.500 -2.404) 15.753 20.052 ( 8.663 1.327 2.170) 9.028 20.089 ( 8.702 -2.129 -1.817) 9.141 21.736 ( -0.271 3.963 0.963) 4.087 21.745 ( 0.200 3.000 0.263) 3.018 21.913 ( -1.660 4.154 1.142) 4.617 21.972 ( -1.681 -1.603 -4.708) 5.250 23.751 ( 0.784 7.074 7.765) 10.533 23.853 ( -0.519 6.393 -2.694) 6.957 23.917 ( 1.284 -10.055 7.248) 12.461 24.001 ( 0.152 -8.792 -1.317) 8.891 26.147 ( -0.490 1.578 2.768) 3.224 26.165 ( 0.211 -0.459 3.353) 3.391 26.208 ( -1.182 4.012 -0.331) 4.196 26.267 ( -0.931 -2.158 -3.779) 4.450 26.913 ( 3.148 2.922 7.935) 9.023 26.948 ( 3.762 -0.618 8.410) 9.234 27.148 ( 1.419 4.940 -10.851) 12.007 27.226 ( 1.232 -2.979 -14.680) 15.030 28.803 ( -1.194 8.183 0.056) 8.270 28.825 ( -1.547 6.234 -2.234) 6.801 29.460 ( -8.895 -2.749 0.692) 9.335 29.472 ( -8.770 -3.749 -0.496) 9.551 33.937 ( 2.287 8.038 2.138) 8.626 33.961 ( 2.410 6.752 -0.362) 7.178 34.336 ( -1.237 -8.230 4.372) 9.401 34.380 ( -1.084 -11.657 -0.033) 11.707 ======================= Grid point 219 (79/80) ======================= q-point: ( 0.33 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.153 ( 3.469 13.672 8.662) 16.552 4.238 ( -0.013 15.883 -0.683) 15.897 4.325 ( -0.403 -2.797 11.108) 11.462 4.439 ( -4.440 -4.261 -0.808) 6.206 4.800 ( 3.075 20.185 16.033) 25.960 4.930 ( 0.531 13.551 2.399) 13.772 5.112 ( 6.959 -8.798 15.598) 19.213 5.226 ( 0.352 -14.093 9.167) 16.816 5.685 ( 4.956 15.155 6.086) 17.067 5.849 ( 1.567 10.090 0.795) 10.242 6.028 ( -0.035 0.591 -0.437) 0.735 6.148 ( -3.284 -8.731 2.757) 9.727 6.311 ( 2.126 16.331 -14.570) 21.989 6.436 ( -2.549 -1.675 -14.405) 14.724 6.653 ( 4.382 -25.790 -7.786) 27.294 6.778 ( 2.910 -27.731 -20.439) 34.572 7.444 ( 2.757 11.632 9.459) 15.244 7.560 ( -8.492 4.690 15.513) 18.296 7.564 ( 3.496 -0.329 -0.908) 3.627 7.765 ( -5.803 -8.054 -3.216) 10.435 8.171 ( -7.068 18.343 -3.486) 19.964 8.416 ( -14.595 12.101 -24.626) 31.079 8.531 ( -9.655 -11.735 -3.933) 15.697 8.644 ( -13.250 -7.794 -15.838) 22.071 9.478 ( 10.853 21.302 7.975) 25.203 9.541 ( 6.931 15.998 1.510) 17.500 9.858 ( 0.108 -11.415 6.044) 12.917 9.868 ( 0.350 -11.558 6.476) 13.253 10.102 ( 5.502 19.169 8.661) 21.743 10.194 ( 4.784 12.700 -0.090) 13.572 10.819 ( -7.427 5.655 1.580) 9.468 10.860 ( 4.145 21.134 9.017) 23.348 10.870 ( 2.142 2.539 -1.628) 3.699 10.974 ( 5.002 26.118 -3.478) 26.819 11.384 ( 2.520 0.322 -2.227) 3.378 11.451 ( -0.414 -8.155 -3.827) 9.018 11.581 ( 2.202 11.808 5.068) 13.037 11.666 ( 3.972 16.623 -2.285) 17.244 11.917 ( -0.273 -10.925 4.138) 11.686 11.980 ( 6.211 1.295 1.770) 6.587 12.308 ( 3.997 15.522 -4.549) 16.661 12.355 ( 1.399 21.952 -8.249) 23.492 12.565 ( 3.347 -3.112 7.547) 8.823 12.697 ( -4.223 12.240 24.263) 27.502 12.708 ( 4.126 -1.096 -3.003) 5.219 12.970 ( 3.197 -6.481 2.669) 7.704 13.112 ( -3.202 -0.904 6.218) 7.053 13.298 ( -1.388 -9.008 -11.604) 14.755 13.536 ( 0.909 -1.124 11.362) 11.454 13.692 ( -4.444 -4.004 3.313) 6.838 13.774 ( -4.202 -1.632 1.722) 4.826 14.046 ( -0.146 -12.916 -16.719) 21.128 14.077 ( -7.790 7.515 -3.007) 11.234 14.186 ( -0.877 -5.508 -10.673) 12.042 14.284 ( -9.495 -18.208 -3.894) 20.901 14.417 ( -9.340 -20.764 -16.653) 28.208 15.588 ( 2.988 10.817 0.988) 11.266 15.626 ( 2.148 11.630 -2.835) 12.161 16.072 ( -0.473 -27.774 1.789) 27.835 16.113 ( -1.583 -27.840 -2.562) 28.002 17.404 ( -3.074 5.613 12.707) 14.227 17.490 ( -2.287 -1.695 8.904) 9.348 17.678 ( -8.541 -1.307 1.259) 8.731 17.794 ( -9.726 -11.512 -2.944) 15.355 18.145 ( 5.996 8.660 2.591) 10.847 18.279 ( -0.985 9.431 -9.099) 13.142 18.430 ( 5.643 -18.043 7.555) 20.358 18.577 ( -0.631 -19.079 -7.072) 20.358 19.796 ( 14.600 7.432 -0.945) 16.410 19.807 ( 14.546 7.376 -2.267) 16.467 20.212 ( 4.716 -4.265 1.221) 6.475 20.248 ( 4.237 -6.907 -2.567) 8.500 21.740 ( 0.810 4.966 0.397) 5.047 21.760 ( 1.180 3.494 -1.486) 3.976 21.869 ( -2.135 1.762 1.775) 3.289 21.919 ( -3.011 -2.546 -3.432) 5.228 23.775 ( 1.413 7.692 5.882) 9.786 23.836 ( -1.060 7.287 -0.282) 7.369 23.952 ( 1.736 -10.697 5.697) 12.243 24.001 ( -0.282 -9.874 0.762) 9.908 26.138 ( -0.178 2.743 2.275) 3.569 26.164 ( -0.798 2.609 0.034) 2.728 26.189 ( 0.135 -0.314 3.492) 3.509 26.240 ( -1.475 -2.995 -1.035) 3.495 27.006 ( 5.106 4.206 3.133) 7.320 27.053 ( 5.486 -0.340 2.038) 5.862 27.168 ( -0.195 4.541 -7.318) 8.614 27.238 ( -0.827 -2.343 -10.876) 11.156 28.806 ( 2.350 6.676 0.875) 7.131 28.821 ( 2.202 5.139 -0.703) 5.635 29.213 ( -12.585 -0.892 1.480) 12.703 29.233 ( -12.298 -3.055 -0.618) 12.687 33.997 ( 2.875 10.246 1.851) 10.801 34.020 ( 2.436 9.802 -0.442) 10.109 34.307 ( -1.066 -11.555 3.066) 12.003 34.345 ( -2.002 -13.608 -0.676) 13.771 ======================= Grid point 220 (80/80) ======================= q-point: (-0.50 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.225 ( -1.881 10.212 5.820) 11.904 4.225 ( 1.881 10.212 5.820) 11.904 4.345 ( -3.182 -0.649 4.147) 5.267 4.345 ( 3.182 -0.649 4.147) 5.267 4.867 ( -4.115 21.838 8.601) 23.828 4.867 ( 4.115 21.838 8.601) 23.828 5.213 ( -1.888 -12.077 12.501) 17.484 5.213 ( 1.888 -12.077 12.501) 17.484 5.847 ( -4.995 8.377 -1.078) 9.812 5.847 ( 4.995 8.377 -1.078) 9.812 6.052 ( -3.018 -8.705 11.193) 14.497 6.052 ( 3.018 -8.705 11.193) 14.497 6.390 ( -3.151 13.427 -18.072) 22.733 6.390 ( 3.151 13.427 -18.072) 22.733 6.774 ( -4.175 -25.955 -12.812) 29.245 6.774 ( 4.175 -25.955 -12.812) 29.245 7.422 ( -0.335 14.131 10.709) 17.733 7.422 ( 0.335 14.131 10.709) 17.733 7.618 ( -4.284 -7.314 -3.793) 9.286 7.618 ( 4.284 -7.314 -3.793) 9.286 8.196 ( -6.249 14.231 -14.631) 21.346 8.196 ( 6.249 14.231 -14.631) 21.346 8.459 ( -3.150 -12.550 -10.771) 16.836 8.459 ( 3.150 -12.550 -10.771) 16.836 9.690 ( -1.212 7.738 5.169) 9.384 9.690 ( 1.212 7.738 5.169) 9.384 9.783 ( -0.154 3.249 6.488) 7.258 9.783 ( 0.154 3.249 6.488) 7.258 10.289 ( -5.312 24.758 1.090) 25.345 10.289 ( 5.312 24.758 1.090) 25.345 10.649 ( -5.252 -10.134 5.416) 12.634 10.649 ( 5.252 -10.134 5.416) 12.634 11.022 ( -3.443 21.108 5.019) 21.968 11.022 ( 3.443 21.108 5.019) 21.968 11.448 ( -1.882 -2.224 -0.709) 2.998 11.448 ( 1.882 -2.224 -0.709) 2.998 11.711 ( -4.802 17.843 -0.592) 18.488 11.711 ( 4.802 17.843 -0.592) 18.488 11.935 ( -6.472 -14.286 -6.665) 17.041 11.935 ( 6.472 -14.286 -6.665) 17.041 12.403 ( -10.397 29.546 15.575) 34.981 12.403 ( 10.397 29.546 15.575) 34.981 12.612 ( -7.896 15.546 1.945) 17.544 12.612 ( 7.896 15.546 1.945) 17.544 12.913 ( -10.518 -1.089 2.282) 10.817 12.913 ( 10.518 -1.089 2.282) 10.817 13.118 ( -9.671 -8.410 -5.474) 13.936 13.118 ( 9.671 -8.410 -5.474) 13.936 13.608 ( -3.679 -6.938 6.423) 10.146 13.608 ( 3.679 -6.938 6.423) 10.146 13.850 ( -9.578 -12.720 2.286) 16.086 13.850 ( 9.578 -12.720 2.286) 16.086 14.100 ( -4.346 -9.928 -13.474) 17.291 14.100 ( 4.346 -9.928 -13.474) 17.291 14.261 ( -4.684 -15.290 -15.947) 22.583 14.261 ( 4.684 -15.290 -15.947) 22.583 15.639 ( -1.156 15.073 -0.398) 15.123 15.639 ( 1.156 15.073 -0.398) 15.123 16.076 ( -1.165 -27.157 -0.396) 27.184 16.076 ( 1.165 -27.157 -0.396) 27.184 17.419 ( -3.732 9.089 3.948) 10.589 17.419 ( 3.732 9.089 3.948) 10.589 17.629 ( -4.272 -14.449 6.596) 16.448 17.629 ( 4.272 -14.449 6.596) 16.448 18.243 ( -2.791 9.377 -3.237) 10.305 18.243 ( 2.791 9.377 -3.237) 10.305 18.537 ( -3.483 -19.386 0.888) 19.717 18.537 ( 3.483 -19.386 0.888) 19.717 19.985 ( -0.622 15.488 -1.634) 15.586 19.985 ( 0.622 15.488 -1.634) 15.586 20.263 ( -1.373 -12.544 -1.198) 12.676 20.263 ( 1.373 -12.544 -1.198) 12.676 21.768 ( -1.180 6.398 -0.529) 6.528 21.768 ( 1.180 6.398 -0.529) 6.528 21.857 ( -1.927 -3.109 -0.861) 3.758 21.857 ( 1.927 -3.109 -0.861) 3.758 23.808 ( -1.495 7.870 2.958) 8.540 23.808 ( 1.495 7.870 2.958) 8.540 23.985 ( -1.195 -10.722 3.352) 11.297 23.985 ( 1.195 -10.722 3.352) 11.297 26.143 ( -0.725 3.818 1.212) 4.071 26.143 ( 0.725 3.818 1.212) 4.071 26.209 ( -1.336 -3.001 1.789) 3.740 26.209 ( 1.336 -3.001 1.789) 3.740 27.109 ( -3.373 5.453 -3.493) 7.302 27.109 ( 3.373 5.453 -3.493) 7.302 27.180 ( -3.931 -1.938 -3.733) 5.757 27.180 ( 3.931 -1.938 -3.733) 5.757 28.897 ( -1.529 8.360 0.965) 8.553 28.897 ( 1.529 8.360 0.965) 8.553 29.019 ( -1.820 -4.529 0.080) 4.881 29.019 ( 1.820 -4.529 0.080) 4.881 34.041 ( -0.727 12.414 0.827) 12.463 34.041 ( 0.727 12.414 0.827) 12.463 34.306 ( -1.122 -14.962 0.539) 15.013 34.306 ( 1.122 -14.962 0.539) 15.013 =================== 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 3/36288 10.0 4746.077 10276.545 23227.877 0.000 0.000 -0.000 3/36288 20.0 3603.958 3973.478 4797.149 0.000 0.000 -0.000 3/36288 30.0 1209.979 1493.640 1156.371 0.000 0.000 -0.000 3/36288 40.0 535.895 746.936 484.665 0.000 0.000 -0.000 3/36288 50.0 293.925 435.790 264.059 0.000 0.000 -0.000 3/36288 60.0 184.798 286.220 167.498 0.000 0.000 -0.000 3/36288 70.0 127.411 204.641 117.183 0.000 0.000 -0.000 3/36288 80.0 93.785 155.534 87.695 0.000 0.000 -0.000 3/36288 90.0 72.458 123.662 68.892 0.000 0.000 -0.000 3/36288 100.0 58.096 101.740 56.124 0.000 0.000 -0.000 3/36288 110.0 47.961 85.955 47.023 0.000 0.000 -0.000 3/36288 120.0 40.536 74.163 40.282 0.000 0.000 -0.000 3/36288 130.0 34.925 65.085 35.131 0.000 0.000 -0.000 3/36288 140.0 30.574 57.918 31.093 0.000 0.000 -0.000 3/36288 150.0 27.125 52.139 27.858 0.000 0.000 -0.000 3/36288 160.0 24.338 47.393 25.218 0.000 0.000 -0.000 3/36288 170.0 22.049 43.434 23.028 0.000 0.000 -0.000 3/36288 180.0 20.142 40.086 21.186 0.000 0.000 -0.000 3/36288 190.0 18.531 37.221 19.617 0.000 0.000 -0.000 3/36288 200.0 17.157 34.744 18.267 0.000 0.000 -0.000 3/36288 210.0 15.971 32.582 17.094 0.000 0.000 -0.000 3/36288 220.0 14.939 30.680 16.065 0.000 0.000 -0.000 3/36288 230.0 14.034 28.993 15.156 0.000 0.000 -0.000 3/36288 240.0 13.233 27.487 14.348 0.000 0.000 -0.000 3/36288 250.0 12.521 26.135 13.624 0.000 0.000 -0.000 3/36288 260.0 11.883 24.915 12.972 0.000 0.000 -0.000 3/36288 270.0 11.309 23.807 12.381 0.000 0.000 -0.000 3/36288 280.0 10.790 22.798 11.844 0.000 0.000 -0.000 3/36288 290.0 10.318 21.874 11.354 0.000 0.000 -0.000 3/36288 300.0 9.887 21.025 10.904 0.000 0.000 -0.000 3/36288 310.0 9.492 20.242 10.490 0.000 0.000 -0.000 3/36288 320.0 9.128 19.518 10.107 0.000 0.000 -0.000 3/36288 330.0 8.792 18.846 9.753 0.000 0.000 -0.000 3/36288 340.0 8.482 18.221 9.423 0.000 0.000 -0.000 3/36288 350.0 8.193 17.638 9.116 0.000 0.000 -0.000 3/36288 360.0 7.924 17.092 8.829 0.000 0.000 -0.000 3/36288 370.0 7.674 16.581 8.560 0.000 0.000 -0.000 3/36288 380.0 7.439 16.100 8.308 0.000 0.000 -0.000 3/36288 390.0 7.219 15.648 8.071 0.000 0.000 -0.000 3/36288 400.0 7.012 15.222 7.848 0.000 0.000 -0.000 3/36288 410.0 6.817 14.819 7.637 0.000 0.000 -0.000 3/36288 420.0 6.633 14.438 7.437 0.000 0.000 -0.000 3/36288 430.0 6.459 14.076 7.248 0.000 0.000 -0.000 3/36288 440.0 6.294 13.733 7.069 0.000 0.000 -0.000 3/36288 450.0 6.138 13.407 6.898 0.000 0.000 -0.000 3/36288 460.0 5.990 13.097 6.736 0.000 0.000 -0.000 3/36288 470.0 5.849 12.801 6.582 0.000 0.000 -0.000 3/36288 480.0 5.715 12.518 6.434 0.000 0.000 -0.000 3/36288 490.0 5.587 12.249 6.294 0.000 0.000 -0.000 3/36288 500.0 5.465 11.991 6.159 0.000 0.000 -0.000 3/36288 510.0 5.348 11.744 6.031 0.000 0.000 -0.000 3/36288 520.0 5.236 11.507 5.908 0.000 0.000 -0.000 3/36288 530.0 5.130 11.280 5.789 0.000 0.000 -0.000 3/36288 540.0 5.027 11.062 5.676 0.000 0.000 -0.000 3/36288 550.0 4.929 10.852 5.567 0.000 0.000 -0.000 3/36288 560.0 4.834 10.650 5.462 0.000 0.000 -0.000 3/36288 570.0 4.743 10.456 5.362 0.000 0.000 -0.000 3/36288 580.0 4.656 10.270 5.265 0.000 0.000 -0.000 3/36288 590.0 4.572 10.089 5.171 0.000 0.000 -0.000 3/36288 600.0 4.491 9.916 5.081 0.000 0.000 -0.000 3/36288 610.0 4.413 9.748 4.994 0.000 0.000 -0.000 3/36288 620.0 4.338 9.586 4.910 0.000 0.000 -0.000 3/36288 630.0 4.265 9.429 4.829 0.000 0.000 -0.000 3/36288 640.0 4.195 9.277 4.750 0.000 0.000 -0.000 3/36288 650.0 4.127 9.131 4.674 0.000 0.000 -0.000 3/36288 660.0 4.061 8.989 4.601 0.000 0.000 -0.000 3/36288 670.0 3.997 8.851 4.530 0.000 0.000 -0.000 3/36288 680.0 3.936 8.718 4.461 0.000 0.000 -0.000 3/36288 690.0 3.876 8.589 4.394 0.000 0.000 -0.000 3/36288 700.0 3.818 8.463 4.329 0.000 0.000 -0.000 3/36288 710.0 3.762 8.341 4.266 0.000 0.000 -0.000 3/36288 720.0 3.707 8.223 4.205 0.000 0.000 -0.000 3/36288 730.0 3.655 8.108 4.146 0.000 0.000 -0.000 3/36288 740.0 3.603 7.997 4.088 0.000 0.000 -0.000 3/36288 750.0 3.553 7.888 4.032 0.000 0.000 -0.000 3/36288 760.0 3.505 7.782 3.977 0.000 0.000 -0.000 3/36288 770.0 3.458 7.679 3.924 0.000 0.000 -0.000 3/36288 780.0 3.412 7.579 3.873 0.000 0.000 -0.000 3/36288 790.0 3.367 7.482 3.823 0.000 0.000 -0.000 3/36288 800.0 3.324 7.387 3.774 0.000 0.000 -0.000 3/36288 810.0 3.281 7.294 3.726 0.000 0.000 -0.000 3/36288 820.0 3.240 7.204 3.679 0.000 0.000 -0.000 3/36288 830.0 3.200 7.116 3.634 0.000 0.000 -0.000 3/36288 840.0 3.160 7.030 3.590 0.000 0.000 -0.000 3/36288 850.0 3.122 6.946 3.547 0.000 0.000 -0.000 3/36288 860.0 3.085 6.864 3.505 0.000 0.000 -0.000 3/36288 870.0 3.048 6.785 3.463 0.000 0.000 -0.000 3/36288 880.0 3.013 6.707 3.423 0.000 0.000 -0.000 3/36288 890.0 2.978 6.630 3.384 0.000 0.000 -0.000 3/36288 900.0 2.944 6.556 3.346 0.000 0.000 -0.000 3/36288 910.0 2.911 6.483 3.308 0.000 0.000 -0.000 3/36288 920.0 2.878 6.412 3.272 0.000 0.000 -0.000 3/36288 930.0 2.847 6.342 3.236 0.000 0.000 -0.000 3/36288 940.0 2.816 6.274 3.201 0.000 0.000 -0.000 3/36288 950.0 2.785 6.207 3.167 0.000 0.000 -0.000 3/36288 960.0 2.756 6.142 3.133 0.000 0.000 -0.000 3/36288 970.0 2.727 6.078 3.100 0.000 0.000 -0.000 3/36288 980.0 2.698 6.015 3.068 0.000 0.000 -0.000 3/36288 990.0 2.670 5.954 3.037 0.000 0.000 -0.000 3/36288 1000.0 2.643 5.894 3.006 0.000 0.000 -0.000 3/36288 Thermal conductivity related properties were written into "kappa-m697.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:43:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|