----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:36:19]------------------------- 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: [2 2 2] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P31m (157) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.326648720625329 0.000000000000000 0.000000000000000 b -2.663324360312664 4.613013109097413 0.000000000000000 c 0.000000000000000 0.000000000000000 7.234704280000000 Atomic positions (fractional): *1 H 0.00000000000000 0.00000000000000 0.17099534586748 1.008 *2 H 0.35249492103068 0.35249492103068 0.72842602823085 1.008 3 H 0.00000000000000 0.64750507896932 0.72842602823085 1.008 4 H 0.64750507896932 0.00000000000000 0.72842602823085 1.008 *5 O 0.00000000000000 0.00000000000000 0.30518260368928 15.999 *6 O 0.33333333333333 0.66666666666667 0.29581081356770 15.999 7 O 0.66666666666667 0.33333333333333 0.29581081356770 15.999 *8 O 0.51635578648393 0.00000000000000 0.98893487408194 15.999 9 O 0.00000000000000 0.51635578648393 0.98893487408194 15.999 10 O 0.48364421351607 0.48364421351607 0.98893487408194 15.999 *11 O 0.66446997171270 0.00000000000000 0.59411152666100 15.999 12 O 0.00000000000000 0.66446997171270 0.59411152666100 15.999 13 O 0.33553002828730 0.33553002828730 0.59411152666100 15.999 *14 Mg 0.33091891981803 0.00000000000000 0.46029368943097 24.305 15 Mg 0.00000000000000 0.33091891981803 0.46029368943097 24.305 16 Mg 0.66908108018197 0.66908108018197 0.46029368943097 24.305 *17 Si 0.33333333333333 0.66666666666667 0.07440100404677 28.085 18 Si 0.66666666666667 0.33333333333333 0.07440100404677 28.085 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.326648720625329 0.000000000000000 0.000000000000000 b -2.663324360312664 4.613013109097413 0.000000000000000 c 0.000000000000000 0.000000000000000 7.234704280000000 Atomic positions (fractional): *1 H 0.00000000000000 0.00000000000000 0.17099534586748 1.008 > 1 *2 H 0.35249492103068 0.35249492103068 0.72842602823085 1.008 > 2 3 H 0.00000000000000 0.64750507896932 0.72842602823085 1.008 > 3 4 H 0.64750507896932 0.00000000000000 0.72842602823085 1.008 > 4 *5 O 0.00000000000000 0.00000000000000 0.30518260368928 15.999 > 5 *6 O 0.33333333333333 0.66666666666667 0.29581081356770 15.999 > 6 7 O 0.66666666666667 0.33333333333333 0.29581081356770 15.999 > 7 *8 O 0.51635578648393 0.00000000000000 0.98893487408194 15.999 > 8 9 O 0.00000000000000 0.51635578648393 0.98893487408194 15.999 > 9 10 O 0.48364421351607 0.48364421351607 0.98893487408194 15.999 > 10 *11 O 0.66446997171270 0.00000000000000 0.59411152666100 15.999 > 11 12 O 0.00000000000000 0.66446997171270 0.59411152666100 15.999 > 12 13 O 0.33553002828730 0.33553002828730 0.59411152666100 15.999 > 13 *14 Mg 0.33091891981803 0.00000000000000 0.46029368943097 24.305 > 14 15 Mg 0.00000000000000 0.33091891981803 0.46029368943097 24.305 > 15 16 Mg 0.66908108018197 0.66908108018197 0.46029368943097 24.305 > 16 *17 Si 0.33333333333333 0.66666666666667 0.07440100404677 28.085 > 17 18 Si 0.66666666666667 0.33333333333333 0.07440100404677 28.085 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.653297441250658 0.000000000000000 0.000000000000000 b -5.326648720625328 9.226026218194827 0.000000000000000 c 0.000000000000000 0.000000000000000 14.469408560000000 Atomic positions (fractional): *1 H 0.00000000000000 0.00000000000000 0.08549767293374 1.008 > 1 2 H 0.50000000000000 0.00000000000000 0.08549767293374 1.008 > 1 3 H 0.00000000000000 0.50000000000000 0.08549767293374 1.008 > 1 4 H 0.50000000000000 0.50000000000000 0.08549767293374 1.008 > 1 5 H 0.00000000000000 0.00000000000000 0.58549767293374 1.008 > 1 6 H 0.50000000000000 0.00000000000000 0.58549767293374 1.008 > 1 7 H 0.00000000000000 0.50000000000000 0.58549767293374 1.008 > 1 8 H 0.50000000000000 0.50000000000000 0.58549767293374 1.008 > 1 *9 H 0.17624746051534 0.17624746051534 0.36421301411543 1.008 > 2 10 H 0.67624746051534 0.17624746051534 0.36421301411543 1.008 > 2 11 H 0.17624746051534 0.67624746051534 0.36421301411543 1.008 > 2 12 H 0.67624746051534 0.67624746051534 0.36421301411543 1.008 > 2 13 H 0.17624746051534 0.17624746051534 0.86421301411543 1.008 > 2 14 H 0.67624746051534 0.17624746051534 0.86421301411543 1.008 > 2 15 H 0.17624746051534 0.67624746051534 0.86421301411543 1.008 > 2 16 H 0.67624746051534 0.67624746051534 0.86421301411543 1.008 > 2 17 H 0.00000000000000 0.32375253948466 0.36421301411543 1.008 > 3 18 H 0.50000000000000 0.32375253948466 0.36421301411543 1.008 > 3 19 H 0.00000000000000 0.82375253948466 0.36421301411543 1.008 > 3 20 H 0.50000000000000 0.82375253948466 0.36421301411543 1.008 > 3 21 H 0.00000000000000 0.32375253948466 0.86421301411543 1.008 > 3 22 H 0.50000000000000 0.32375253948466 0.86421301411543 1.008 > 3 23 H 0.00000000000000 0.82375253948466 0.86421301411543 1.008 > 3 24 H 0.50000000000000 0.82375253948466 0.86421301411543 1.008 > 3 25 H 0.32375253948466 0.00000000000000 0.36421301411543 1.008 > 4 26 H 0.82375253948466 0.00000000000000 0.36421301411543 1.008 > 4 27 H 0.32375253948466 0.50000000000000 0.36421301411543 1.008 > 4 28 H 0.82375253948466 0.50000000000000 0.36421301411543 1.008 > 4 29 H 0.32375253948466 0.00000000000000 0.86421301411543 1.008 > 4 30 H 0.82375253948466 0.00000000000000 0.86421301411543 1.008 > 4 31 H 0.32375253948466 0.50000000000000 0.86421301411543 1.008 > 4 32 H 0.82375253948466 0.50000000000000 0.86421301411543 1.008 > 4 *33 O 0.00000000000000 0.00000000000000 0.15259130184464 15.999 > 5 34 O 0.50000000000000 0.00000000000000 0.15259130184464 15.999 > 5 35 O 0.00000000000000 0.50000000000000 0.15259130184464 15.999 > 5 36 O 0.50000000000000 0.50000000000000 0.15259130184464 15.999 > 5 37 O 0.00000000000000 0.00000000000000 0.65259130184464 15.999 > 5 38 O 0.50000000000000 0.00000000000000 0.65259130184464 15.999 > 5 39 O 0.00000000000000 0.50000000000000 0.65259130184464 15.999 > 5 40 O 0.50000000000000 0.50000000000000 0.65259130184464 15.999 > 5 *41 O 0.16666666666667 0.33333333333333 0.14790540678385 15.999 > 6 42 O 0.66666666666667 0.33333333333333 0.14790540678385 15.999 > 6 43 O 0.16666666666667 0.83333333333333 0.14790540678385 15.999 > 6 44 O 0.66666666666667 0.83333333333333 0.14790540678385 15.999 > 6 45 O 0.16666666666667 0.33333333333333 0.64790540678385 15.999 > 6 46 O 0.66666666666667 0.33333333333333 0.64790540678385 15.999 > 6 47 O 0.16666666666667 0.83333333333333 0.64790540678385 15.999 > 6 48 O 0.66666666666667 0.83333333333333 0.64790540678385 15.999 > 6 49 O 0.33333333333333 0.16666666666667 0.14790540678385 15.999 > 7 50 O 0.83333333333333 0.16666666666667 0.14790540678385 15.999 > 7 51 O 0.33333333333333 0.66666666666667 0.14790540678385 15.999 > 7 52 O 0.83333333333333 0.66666666666667 0.14790540678385 15.999 > 7 53 O 0.33333333333333 0.16666666666667 0.64790540678385 15.999 > 7 54 O 0.83333333333333 0.16666666666667 0.64790540678385 15.999 > 7 55 O 0.33333333333333 0.66666666666667 0.64790540678385 15.999 > 7 56 O 0.83333333333333 0.66666666666667 0.64790540678385 15.999 > 7 *57 O 0.25817789324196 0.00000000000000 0.49446743704097 15.999 > 8 58 O 0.75817789324196 0.00000000000000 0.49446743704097 15.999 > 8 59 O 0.25817789324196 0.50000000000000 0.49446743704097 15.999 > 8 60 O 0.75817789324196 0.50000000000000 0.49446743704097 15.999 > 8 61 O 0.25817789324196 0.00000000000000 0.99446743704097 15.999 > 8 62 O 0.75817789324196 0.00000000000000 0.99446743704097 15.999 > 8 63 O 0.25817789324196 0.50000000000000 0.99446743704097 15.999 > 8 64 O 0.75817789324196 0.50000000000000 0.99446743704097 15.999 > 8 65 O 0.00000000000000 0.25817789324196 0.49446743704097 15.999 > 9 66 O 0.50000000000000 0.25817789324196 0.49446743704097 15.999 > 9 67 O 0.00000000000000 0.75817789324196 0.49446743704097 15.999 > 9 68 O 0.50000000000000 0.75817789324196 0.49446743704097 15.999 > 9 69 O 0.00000000000000 0.25817789324196 0.99446743704097 15.999 > 9 70 O 0.50000000000000 0.25817789324196 0.99446743704097 15.999 > 9 71 O 0.00000000000000 0.75817789324196 0.99446743704097 15.999 > 9 72 O 0.50000000000000 0.75817789324196 0.99446743704097 15.999 > 9 73 O 0.24182210675804 0.24182210675804 0.49446743704097 15.999 > 10 74 O 0.74182210675804 0.24182210675804 0.49446743704097 15.999 > 10 75 O 0.24182210675804 0.74182210675804 0.49446743704097 15.999 > 10 76 O 0.74182210675804 0.74182210675804 0.49446743704097 15.999 > 10 77 O 0.24182210675804 0.24182210675804 0.99446743704097 15.999 > 10 78 O 0.74182210675804 0.24182210675804 0.99446743704097 15.999 > 10 79 O 0.24182210675804 0.74182210675804 0.99446743704097 15.999 > 10 80 O 0.74182210675804 0.74182210675804 0.99446743704097 15.999 > 10 *81 O 0.33223498585635 0.00000000000000 0.29705576333050 15.999 > 11 82 O 0.83223498585635 0.00000000000000 0.29705576333050 15.999 > 11 83 O 0.33223498585635 0.50000000000000 0.29705576333050 15.999 > 11 84 O 0.83223498585635 0.50000000000000 0.29705576333050 15.999 > 11 85 O 0.33223498585635 0.00000000000000 0.79705576333050 15.999 > 11 86 O 0.83223498585635 0.00000000000000 0.79705576333050 15.999 > 11 87 O 0.33223498585635 0.50000000000000 0.79705576333050 15.999 > 11 88 O 0.83223498585635 0.50000000000000 0.79705576333050 15.999 > 11 89 O 0.00000000000000 0.33223498585635 0.29705576333050 15.999 > 12 90 O 0.50000000000000 0.33223498585635 0.29705576333050 15.999 > 12 91 O 0.00000000000000 0.83223498585635 0.29705576333050 15.999 > 12 92 O 0.50000000000000 0.83223498585635 0.29705576333050 15.999 > 12 93 O 0.00000000000000 0.33223498585635 0.79705576333050 15.999 > 12 94 O 0.50000000000000 0.33223498585635 0.79705576333050 15.999 > 12 95 O 0.00000000000000 0.83223498585635 0.79705576333050 15.999 > 12 96 O 0.50000000000000 0.83223498585635 0.79705576333050 15.999 > 12 97 O 0.16776501414365 0.16776501414365 0.29705576333050 15.999 > 13 98 O 0.66776501414365 0.16776501414365 0.29705576333050 15.999 > 13 99 O 0.16776501414365 0.66776501414365 0.29705576333050 15.999 > 13 100 O 0.66776501414365 0.66776501414365 0.29705576333050 15.999 > 13 101 O 0.16776501414365 0.16776501414365 0.79705576333050 15.999 > 13 102 O 0.66776501414365 0.16776501414365 0.79705576333050 15.999 > 13 103 O 0.16776501414365 0.66776501414365 0.79705576333050 15.999 > 13 104 O 0.66776501414365 0.66776501414365 0.79705576333050 15.999 > 13 *105 Mg 0.16545945990902 0.00000000000000 0.23014684471548 24.305 > 14 106 Mg 0.66545945990902 0.00000000000000 0.23014684471548 24.305 > 14 107 Mg 0.16545945990902 0.50000000000000 0.23014684471548 24.305 > 14 108 Mg 0.66545945990902 0.50000000000000 0.23014684471548 24.305 > 14 109 Mg 0.16545945990902 0.00000000000000 0.73014684471548 24.305 > 14 110 Mg 0.66545945990902 0.00000000000000 0.73014684471548 24.305 > 14 111 Mg 0.16545945990902 0.50000000000000 0.73014684471548 24.305 > 14 112 Mg 0.66545945990902 0.50000000000000 0.73014684471548 24.305 > 14 113 Mg 0.00000000000000 0.16545945990902 0.23014684471548 24.305 > 15 114 Mg 0.50000000000000 0.16545945990902 0.23014684471548 24.305 > 15 115 Mg 0.00000000000000 0.66545945990902 0.23014684471548 24.305 > 15 116 Mg 0.50000000000000 0.66545945990902 0.23014684471548 24.305 > 15 117 Mg 0.00000000000000 0.16545945990902 0.73014684471548 24.305 > 15 118 Mg 0.50000000000000 0.16545945990902 0.73014684471548 24.305 > 15 119 Mg 0.00000000000000 0.66545945990902 0.73014684471548 24.305 > 15 120 Mg 0.50000000000000 0.66545945990902 0.73014684471548 24.305 > 15 121 Mg 0.33454054009098 0.33454054009098 0.23014684471548 24.305 > 16 122 Mg 0.83454054009098 0.33454054009098 0.23014684471548 24.305 > 16 123 Mg 0.33454054009098 0.83454054009098 0.23014684471548 24.305 > 16 124 Mg 0.83454054009098 0.83454054009098 0.23014684471548 24.305 > 16 125 Mg 0.33454054009098 0.33454054009098 0.73014684471548 24.305 > 16 126 Mg 0.83454054009098 0.33454054009098 0.73014684471548 24.305 > 16 127 Mg 0.33454054009098 0.83454054009098 0.73014684471548 24.305 > 16 128 Mg 0.83454054009098 0.83454054009098 0.73014684471548 24.305 > 16 *129 Si 0.16666666666667 0.33333333333333 0.03720050202338 28.085 > 17 130 Si 0.66666666666667 0.33333333333333 0.03720050202338 28.085 > 17 131 Si 0.16666666666667 0.83333333333333 0.03720050202338 28.085 > 17 132 Si 0.66666666666667 0.83333333333333 0.03720050202338 28.085 > 17 133 Si 0.16666666666667 0.33333333333333 0.53720050202338 28.085 > 17 134 Si 0.66666666666667 0.33333333333333 0.53720050202338 28.085 > 17 135 Si 0.16666666666667 0.83333333333333 0.53720050202338 28.085 > 17 136 Si 0.66666666666667 0.83333333333333 0.53720050202338 28.085 > 17 137 Si 0.33333333333333 0.16666666666667 0.03720050202338 28.085 > 18 138 Si 0.83333333333333 0.16666666666667 0.03720050202338 28.085 > 18 139 Si 0.33333333333333 0.66666666666667 0.03720050202338 28.085 > 18 140 Si 0.83333333333333 0.66666666666667 0.03720050202338 28.085 > 18 141 Si 0.33333333333333 0.16666666666667 0.53720050202338 28.085 > 18 142 Si 0.83333333333333 0.16666666666667 0.53720050202338 28.085 > 18 143 Si 0.33333333333333 0.66666666666667 0.53720050202338 28.085 > 18 144 Si 0.83333333333333 0.66666666666667 0.53720050202338 28.085 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6121024 0.0000000 0.0000000 0.0000000 2.6121024 0.0000000 0.0000000 0.0000000 2.5846034 -------------------------- Born effective charges -------------------------- 1 H 0.4769283 0.0000000 0.0000000 -0.0000000 0.4769283 0.0000000 -0.0000000 0.0000000 0.0836221 2 H 0.3669780 0.0000023 0.0509223 0.0000023 0.3669807 0.0882000 0.0671854 0.1163685 0.7018485 3 H 0.3669780 -0.0000023 0.0509223 -0.0000023 0.3669807 -0.0882000 0.0671854 -0.1163685 0.7018485 4 H 0.3669820 0.0000000 -0.1018446 -0.0000000 0.3669767 0.0000000 -0.1343708 -0.0000000 0.7018485 5 O -1.4903828 -0.0000000 0.0000000 -0.0000000 -1.4903828 0.0000000 -0.0000000 0.0000000 -1.0024369 6 O -1.5307638 0.0021838 0.0000000 -0.0021838 -1.5307638 0.0000000 -0.0000000 0.0000000 -1.8593572 7 O -1.5307638 -0.0021838 0.0000000 0.0021838 -1.5307638 0.0000000 -0.0000000 0.0000000 -1.8593572 8 O -1.0598211 0.0000000 0.0716014 -0.0000000 -2.7817356 0.0000000 0.1088785 0.0000000 -1.4187787 9 O -2.3512569 -0.7456108 -0.0358007 -0.7456108 -1.4902997 0.0620086 -0.0544393 0.0942916 -1.4187787 10 O -2.3512569 0.7456108 -0.0358007 0.7456108 -1.4902997 -0.0620086 -0.0544393 -0.0942916 -1.4187787 11 O -1.3733199 0.0000000 0.0633391 -0.0000000 -1.3941139 0.0000000 0.0441058 0.0000000 -1.3871568 12 O -1.3889154 -0.0090041 -0.0316695 -0.0090041 -1.3785184 0.0548532 -0.0220529 0.0381967 -1.3871568 13 O -1.3889154 0.0090041 -0.0316695 0.0090041 -1.3785184 -0.0548532 -0.0220529 -0.0381967 -1.3871568 14 Mg 2.0006782 -0.0000000 -0.0212722 -0.0000000 2.0487164 0.0000000 -0.0697533 -0.0000000 1.8804223 15 Mg 2.0367068 0.0208012 0.0106361 0.0208012 2.0126877 -0.0184223 0.0348767 -0.0604081 1.8804223 16 Mg 2.0367068 -0.0208012 0.0106361 -0.0208012 2.0126877 0.0184223 0.0348767 0.0604081 1.8804223 17 Si 3.4067190 -0.0386122 0.0000000 0.0386122 3.4067190 0.0000000 -0.0000000 0.0000000 2.6542616 18 Si 3.4067190 0.0386122 0.0000000 -0.0386122 3.4067190 0.0000000 -0.0000000 0.0000000 2.6542616 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2070 Number of blocks in projector: 1152 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 19 --- Eigsh_solver_block: 1 / 19 --- Block_size: 934 Use submatrix version of eigh solver. (1) Block: 500 / 934 (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: 934 / 934 (1) 424 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 19 --- Block_size: 824 Use submatrix version of eigh solver. (1) Block: 500 / 824 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 824 / 824 (1) 316 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 19 --- Block_size: 296 Use standard eigh solver. --- Eigsh_solver_block: 4 / 19 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 19 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 19 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 19 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 19 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 19 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 10 / 19 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 11 / 19 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 12 / 19 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 13 / 19 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 14 / 19 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 15 / 19 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 16 / 19 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 17 / 19 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 18 / 19 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 19 / 19 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (2070, 2040), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (296, 288), data: True |-- (824, 816), data: False |-- (824, 8), data: (824, 16) @ (16, 8) |-- (324, 316), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (934, 920), data: False |-- (934, 10), data: (934, 24) @ (24, 10) |-- (434, 424), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.034 Solver_block: 100 / 400 - Time: 0.745 Solver_block: 200 / 400 - Time: 1.088 Solver_block: 300 / 400 - Time: 0.647 Solver_block: 400 / 400 - Time: 1.024 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.841 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2070 Number of blocks in projector: 1152 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 19 --- Eigsh_solver_block: 1 / 19 --- Block_size: 934 Use submatrix version of eigh solver. (1) Block: 500 / 934 (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: 934 / 934 (1) 424 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 19 --- Block_size: 824 Use submatrix version of eigh solver. (1) Block: 500 / 824 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 824 / 824 (1) 316 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 19 --- Block_size: 296 Use standard eigh solver. --- Eigsh_solver_block: 4 / 19 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 19 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 19 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 19 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 19 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 19 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 10 / 19 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 11 / 19 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 12 / 19 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 13 / 19 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 14 / 19 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 15 / 19 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 16 / 19 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 17 / 19 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 18 / 19 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 19 / 19 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (2070, 2040), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (296, 288), data: True |-- (824, 816), data: False |-- (824, 8), data: (824, 16) @ (16, 8) |-- (324, 316), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (934, 920), data: False |-- (934, 10), data: (934, 24) @ (24, 10) |-- (434, 424), 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 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:36:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:36:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P31m (157) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.326648720625329 0.000000000000000 0.000000000000000 b -2.663324360312664 4.613013109097413 0.000000000000000 c 0.000000000000000 0.000000000000000 7.234704280000000 Atomic positions (fractional): 1 H 0.00000000000000 0.00000000000000 0.17099534586748 1.008 2 H 0.35249492103068 0.35249492103068 0.72842602823085 1.008 3 H 0.00000000000000 0.64750507896932 0.72842602823085 1.008 4 H 0.64750507896932 0.00000000000000 0.72842602823085 1.008 5 O 0.00000000000000 0.00000000000000 0.30518260368928 15.999 6 O 0.33333333333333 0.66666666666667 0.29581081356770 15.999 7 O 0.66666666666667 0.33333333333333 0.29581081356770 15.999 8 O 0.51635578648393 0.00000000000000 0.98893487408194 15.999 9 O 0.00000000000000 0.51635578648393 0.98893487408194 15.999 10 O 0.48364421351607 0.48364421351607 0.98893487408194 15.999 11 O 0.66446997171270 0.00000000000000 0.59411152666100 15.999 12 O 0.00000000000000 0.66446997171270 0.59411152666100 15.999 13 O 0.33553002828730 0.33553002828730 0.59411152666100 15.999 14 Mg 0.33091891981803 0.00000000000000 0.46029368943097 24.305 15 Mg 0.00000000000000 0.33091891981803 0.46029368943097 24.305 16 Mg 0.66908108018197 0.66908108018197 0.46029368943097 24.305 17 Si 0.33333333333333 0.66666666666667 0.07440100404677 28.085 18 Si 0.66666666666667 0.33333333333333 0.07440100404677 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.653297441250658 0.000000000000000 0.000000000000000 b -5.326648720625328 9.226026218194827 0.000000000000000 c 0.000000000000000 0.000000000000000 14.469408560000000 Atomic positions (fractional): 1 H 0.00000000000000 0.00000000000000 0.08549767293374 1.008 > 1 2 H 0.50000000000000 0.00000000000000 0.08549767293374 1.008 > 1 3 H 0.00000000000000 0.50000000000000 0.08549767293374 1.008 > 1 4 H 0.50000000000000 0.50000000000000 0.08549767293374 1.008 > 1 5 H 0.00000000000000 0.00000000000000 0.58549767293374 1.008 > 1 6 H 0.50000000000000 0.00000000000000 0.58549767293374 1.008 > 1 7 H 0.00000000000000 0.50000000000000 0.58549767293374 1.008 > 1 8 H 0.50000000000000 0.50000000000000 0.58549767293374 1.008 > 1 9 H 0.17624746051534 0.17624746051534 0.36421301411543 1.008 > 9 10 H 0.67624746051534 0.17624746051534 0.36421301411543 1.008 > 9 11 H 0.17624746051534 0.67624746051534 0.36421301411543 1.008 > 9 12 H 0.67624746051534 0.67624746051534 0.36421301411543 1.008 > 9 13 H 0.17624746051534 0.17624746051534 0.86421301411543 1.008 > 9 14 H 0.67624746051534 0.17624746051534 0.86421301411543 1.008 > 9 15 H 0.17624746051534 0.67624746051534 0.86421301411543 1.008 > 9 16 H 0.67624746051534 0.67624746051534 0.86421301411543 1.008 > 9 17 H 0.00000000000000 0.32375253948466 0.36421301411543 1.008 > 17 18 H 0.50000000000000 0.32375253948466 0.36421301411543 1.008 > 17 19 H 0.00000000000000 0.82375253948466 0.36421301411543 1.008 > 17 20 H 0.50000000000000 0.82375253948466 0.36421301411543 1.008 > 17 21 H 0.00000000000000 0.32375253948466 0.86421301411543 1.008 > 17 22 H 0.50000000000000 0.32375253948466 0.86421301411543 1.008 > 17 23 H 0.00000000000000 0.82375253948466 0.86421301411543 1.008 > 17 24 H 0.50000000000000 0.82375253948466 0.86421301411543 1.008 > 17 25 H 0.32375253948466 0.00000000000000 0.36421301411543 1.008 > 25 26 H 0.82375253948466 0.00000000000000 0.36421301411543 1.008 > 25 27 H 0.32375253948466 0.50000000000000 0.36421301411543 1.008 > 25 28 H 0.82375253948466 0.50000000000000 0.36421301411543 1.008 > 25 29 H 0.32375253948466 0.00000000000000 0.86421301411543 1.008 > 25 30 H 0.82375253948466 0.00000000000000 0.86421301411543 1.008 > 25 31 H 0.32375253948466 0.50000000000000 0.86421301411543 1.008 > 25 32 H 0.82375253948466 0.50000000000000 0.86421301411543 1.008 > 25 33 O 0.00000000000000 0.00000000000000 0.15259130184464 15.999 > 33 34 O 0.50000000000000 0.00000000000000 0.15259130184464 15.999 > 33 35 O 0.00000000000000 0.50000000000000 0.15259130184464 15.999 > 33 36 O 0.50000000000000 0.50000000000000 0.15259130184464 15.999 > 33 37 O 0.00000000000000 0.00000000000000 0.65259130184464 15.999 > 33 38 O 0.50000000000000 0.00000000000000 0.65259130184464 15.999 > 33 39 O 0.00000000000000 0.50000000000000 0.65259130184464 15.999 > 33 40 O 0.50000000000000 0.50000000000000 0.65259130184464 15.999 > 33 41 O 0.16666666666667 0.33333333333333 0.14790540678385 15.999 > 41 42 O 0.66666666666667 0.33333333333333 0.14790540678385 15.999 > 41 43 O 0.16666666666667 0.83333333333333 0.14790540678385 15.999 > 41 44 O 0.66666666666667 0.83333333333333 0.14790540678385 15.999 > 41 45 O 0.16666666666667 0.33333333333333 0.64790540678385 15.999 > 41 46 O 0.66666666666667 0.33333333333333 0.64790540678385 15.999 > 41 47 O 0.16666666666667 0.83333333333333 0.64790540678385 15.999 > 41 48 O 0.66666666666667 0.83333333333333 0.64790540678385 15.999 > 41 49 O 0.33333333333333 0.16666666666667 0.14790540678385 15.999 > 49 50 O 0.83333333333333 0.16666666666667 0.14790540678385 15.999 > 49 51 O 0.33333333333333 0.66666666666667 0.14790540678385 15.999 > 49 52 O 0.83333333333333 0.66666666666667 0.14790540678385 15.999 > 49 53 O 0.33333333333333 0.16666666666667 0.64790540678385 15.999 > 49 54 O 0.83333333333333 0.16666666666667 0.64790540678385 15.999 > 49 55 O 0.33333333333333 0.66666666666667 0.64790540678385 15.999 > 49 56 O 0.83333333333333 0.66666666666667 0.64790540678385 15.999 > 49 57 O 0.25817789324196 0.00000000000000 0.49446743704097 15.999 > 57 58 O 0.75817789324196 0.00000000000000 0.49446743704097 15.999 > 57 59 O 0.25817789324196 0.50000000000000 0.49446743704097 15.999 > 57 60 O 0.75817789324196 0.50000000000000 0.49446743704097 15.999 > 57 61 O 0.25817789324196 0.00000000000000 0.99446743704097 15.999 > 57 62 O 0.75817789324196 0.00000000000000 0.99446743704097 15.999 > 57 63 O 0.25817789324196 0.50000000000000 0.99446743704097 15.999 > 57 64 O 0.75817789324196 0.50000000000000 0.99446743704097 15.999 > 57 65 O 0.00000000000000 0.25817789324196 0.49446743704097 15.999 > 65 66 O 0.50000000000000 0.25817789324196 0.49446743704097 15.999 > 65 67 O 0.00000000000000 0.75817789324196 0.49446743704097 15.999 > 65 68 O 0.50000000000000 0.75817789324196 0.49446743704097 15.999 > 65 69 O 0.00000000000000 0.25817789324196 0.99446743704097 15.999 > 65 70 O 0.50000000000000 0.25817789324196 0.99446743704097 15.999 > 65 71 O 0.00000000000000 0.75817789324196 0.99446743704097 15.999 > 65 72 O 0.50000000000000 0.75817789324196 0.99446743704097 15.999 > 65 73 O 0.24182210675804 0.24182210675804 0.49446743704097 15.999 > 73 74 O 0.74182210675804 0.24182210675804 0.49446743704097 15.999 > 73 75 O 0.24182210675804 0.74182210675804 0.49446743704097 15.999 > 73 76 O 0.74182210675804 0.74182210675804 0.49446743704097 15.999 > 73 77 O 0.24182210675804 0.24182210675804 0.99446743704097 15.999 > 73 78 O 0.74182210675804 0.24182210675804 0.99446743704097 15.999 > 73 79 O 0.24182210675804 0.74182210675804 0.99446743704097 15.999 > 73 80 O 0.74182210675804 0.74182210675804 0.99446743704097 15.999 > 73 81 O 0.33223498585635 0.00000000000000 0.29705576333050 15.999 > 81 82 O 0.83223498585635 0.00000000000000 0.29705576333050 15.999 > 81 83 O 0.33223498585635 0.50000000000000 0.29705576333050 15.999 > 81 84 O 0.83223498585635 0.50000000000000 0.29705576333050 15.999 > 81 85 O 0.33223498585635 0.00000000000000 0.79705576333050 15.999 > 81 86 O 0.83223498585635 0.00000000000000 0.79705576333050 15.999 > 81 87 O 0.33223498585635 0.50000000000000 0.79705576333050 15.999 > 81 88 O 0.83223498585635 0.50000000000000 0.79705576333050 15.999 > 81 89 O 0.00000000000000 0.33223498585635 0.29705576333050 15.999 > 89 90 O 0.50000000000000 0.33223498585635 0.29705576333050 15.999 > 89 91 O 0.00000000000000 0.83223498585635 0.29705576333050 15.999 > 89 92 O 0.50000000000000 0.83223498585635 0.29705576333050 15.999 > 89 93 O 0.00000000000000 0.33223498585635 0.79705576333050 15.999 > 89 94 O 0.50000000000000 0.33223498585635 0.79705576333050 15.999 > 89 95 O 0.00000000000000 0.83223498585635 0.79705576333050 15.999 > 89 96 O 0.50000000000000 0.83223498585635 0.79705576333050 15.999 > 89 97 O 0.16776501414365 0.16776501414365 0.29705576333050 15.999 > 97 98 O 0.66776501414365 0.16776501414365 0.29705576333050 15.999 > 97 99 O 0.16776501414365 0.66776501414365 0.29705576333050 15.999 > 97 100 O 0.66776501414365 0.66776501414365 0.29705576333050 15.999 > 97 101 O 0.16776501414365 0.16776501414365 0.79705576333050 15.999 > 97 102 O 0.66776501414365 0.16776501414365 0.79705576333050 15.999 > 97 103 O 0.16776501414365 0.66776501414365 0.79705576333050 15.999 > 97 104 O 0.66776501414365 0.66776501414365 0.79705576333050 15.999 > 97 105 Mg 0.16545945990902 0.00000000000000 0.23014684471548 24.305 > 105 106 Mg 0.66545945990902 0.00000000000000 0.23014684471548 24.305 > 105 107 Mg 0.16545945990902 0.50000000000000 0.23014684471548 24.305 > 105 108 Mg 0.66545945990902 0.50000000000000 0.23014684471548 24.305 > 105 109 Mg 0.16545945990902 0.00000000000000 0.73014684471548 24.305 > 105 110 Mg 0.66545945990902 0.00000000000000 0.73014684471548 24.305 > 105 111 Mg 0.16545945990902 0.50000000000000 0.73014684471548 24.305 > 105 112 Mg 0.66545945990902 0.50000000000000 0.73014684471548 24.305 > 105 113 Mg 0.00000000000000 0.16545945990902 0.23014684471548 24.305 > 113 114 Mg 0.50000000000000 0.16545945990902 0.23014684471548 24.305 > 113 115 Mg 0.00000000000000 0.66545945990902 0.23014684471548 24.305 > 113 116 Mg 0.50000000000000 0.66545945990902 0.23014684471548 24.305 > 113 117 Mg 0.00000000000000 0.16545945990902 0.73014684471548 24.305 > 113 118 Mg 0.50000000000000 0.16545945990902 0.73014684471548 24.305 > 113 119 Mg 0.00000000000000 0.66545945990902 0.73014684471548 24.305 > 113 120 Mg 0.50000000000000 0.66545945990902 0.73014684471548 24.305 > 113 121 Mg 0.33454054009098 0.33454054009098 0.23014684471548 24.305 > 121 122 Mg 0.83454054009098 0.33454054009098 0.23014684471548 24.305 > 121 123 Mg 0.33454054009098 0.83454054009098 0.23014684471548 24.305 > 121 124 Mg 0.83454054009098 0.83454054009098 0.23014684471548 24.305 > 121 125 Mg 0.33454054009098 0.33454054009098 0.73014684471548 24.305 > 121 126 Mg 0.83454054009098 0.33454054009098 0.73014684471548 24.305 > 121 127 Mg 0.33454054009098 0.83454054009098 0.73014684471548 24.305 > 121 128 Mg 0.83454054009098 0.83454054009098 0.73014684471548 24.305 > 121 129 Si 0.16666666666667 0.33333333333333 0.03720050202338 28.085 > 129 130 Si 0.66666666666667 0.33333333333333 0.03720050202338 28.085 > 129 131 Si 0.16666666666667 0.83333333333333 0.03720050202338 28.085 > 129 132 Si 0.66666666666667 0.83333333333333 0.03720050202338 28.085 > 129 133 Si 0.16666666666667 0.33333333333333 0.53720050202338 28.085 > 129 134 Si 0.66666666666667 0.33333333333333 0.53720050202338 28.085 > 129 135 Si 0.16666666666667 0.83333333333333 0.53720050202338 28.085 > 129 136 Si 0.66666666666667 0.83333333333333 0.53720050202338 28.085 > 129 137 Si 0.33333333333333 0.16666666666667 0.03720050202338 28.085 > 137 138 Si 0.83333333333333 0.16666666666667 0.03720050202338 28.085 > 137 139 Si 0.33333333333333 0.66666666666667 0.03720050202338 28.085 > 137 140 Si 0.83333333333333 0.66666666666667 0.03720050202338 28.085 > 137 141 Si 0.33333333333333 0.16666666666667 0.53720050202338 28.085 > 137 142 Si 0.83333333333333 0.16666666666667 0.53720050202338 28.085 > 137 143 Si 0.33333333333333 0.66666666666667 0.53720050202338 28.085 > 137 144 Si 0.83333333333333 0.66666666666667 0.53720050202338 28.085 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6121024 0.0000000 0.0000000 0.0000000 2.6121024 0.0000000 0.0000000 0.0000000 2.5846034 -------------------------- Born effective charges -------------------------- 1 H 0.4769283 0.0000000 0.0000000 -0.0000000 0.4769283 0.0000000 -0.0000000 0.0000000 0.0836221 2 H 0.3669780 0.0000023 0.0509223 0.0000023 0.3669807 0.0882000 0.0671854 0.1163685 0.7018485 3 H 0.3669780 -0.0000023 0.0509223 -0.0000023 0.3669807 -0.0882000 0.0671854 -0.1163685 0.7018485 4 H 0.3669820 0.0000000 -0.1018446 -0.0000000 0.3669767 0.0000000 -0.1343708 -0.0000000 0.7018485 5 O -1.4903828 -0.0000000 0.0000000 -0.0000000 -1.4903828 0.0000000 -0.0000000 0.0000000 -1.0024369 6 O -1.5307638 0.0021838 0.0000000 -0.0021838 -1.5307638 0.0000000 -0.0000000 0.0000000 -1.8593572 7 O -1.5307638 -0.0021838 0.0000000 0.0021838 -1.5307638 0.0000000 -0.0000000 0.0000000 -1.8593572 8 O -1.0598211 0.0000000 0.0716014 -0.0000000 -2.7817356 0.0000000 0.1088785 0.0000000 -1.4187787 9 O -2.3512569 -0.7456108 -0.0358007 -0.7456108 -1.4902997 0.0620086 -0.0544393 0.0942916 -1.4187787 10 O -2.3512569 0.7456108 -0.0358007 0.7456108 -1.4902997 -0.0620086 -0.0544393 -0.0942916 -1.4187787 11 O -1.3733199 0.0000000 0.0633391 -0.0000000 -1.3941139 0.0000000 0.0441058 0.0000000 -1.3871568 12 O -1.3889154 -0.0090041 -0.0316695 -0.0090041 -1.3785184 0.0548532 -0.0220529 0.0381967 -1.3871568 13 O -1.3889154 0.0090041 -0.0316695 0.0090041 -1.3785184 -0.0548532 -0.0220529 -0.0381967 -1.3871568 14 Mg 2.0006782 -0.0000000 -0.0212722 -0.0000000 2.0487164 0.0000000 -0.0697533 -0.0000000 1.8804223 15 Mg 2.0367068 0.0208012 0.0106361 0.0208012 2.0126877 -0.0184223 0.0348767 -0.0604081 1.8804223 16 Mg 2.0367068 -0.0208012 0.0106361 -0.0208012 2.0126877 0.0184223 0.0348767 0.0604081 1.8804223 17 Si 3.4067190 -0.0386122 0.0000000 0.0386122 3.4067190 0.0000000 -0.0000000 0.0000000 2.6542616 18 Si 3.4067190 0.0386122 0.0000000 -0.0386122 3.4067190 0.0000000 -0.0000000 0.0000000 2.6542616 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: 0.00000081 (zzz) 0.00000081 (zzz) 0.00000081 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000013 (zx) -0.00000013 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:37:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:37:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P31m (157) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.326648720625329 0.000000000000000 0.000000000000000 b -2.663324360312664 4.613013109097413 0.000000000000000 c 0.000000000000000 0.000000000000000 7.234704280000000 Atomic positions (fractional): 1 H 0.00000000000000 0.00000000000000 0.17099534586748 1.008 2 H 0.35249492103068 0.35249492103068 0.72842602823085 1.008 3 H 0.00000000000000 0.64750507896932 0.72842602823085 1.008 4 H 0.64750507896932 0.00000000000000 0.72842602823085 1.008 5 O 0.00000000000000 0.00000000000000 0.30518260368928 15.999 6 O 0.33333333333333 0.66666666666667 0.29581081356770 15.999 7 O 0.66666666666667 0.33333333333333 0.29581081356770 15.999 8 O 0.51635578648393 0.00000000000000 0.98893487408194 15.999 9 O 0.00000000000000 0.51635578648393 0.98893487408194 15.999 10 O 0.48364421351607 0.48364421351607 0.98893487408194 15.999 11 O 0.66446997171270 0.00000000000000 0.59411152666100 15.999 12 O 0.00000000000000 0.66446997171270 0.59411152666100 15.999 13 O 0.33553002828730 0.33553002828730 0.59411152666100 15.999 14 Mg 0.33091891981803 0.00000000000000 0.46029368943097 24.305 15 Mg 0.00000000000000 0.33091891981803 0.46029368943097 24.305 16 Mg 0.66908108018197 0.66908108018197 0.46029368943097 24.305 17 Si 0.33333333333333 0.66666666666667 0.07440100404677 28.085 18 Si 0.66666666666667 0.33333333333333 0.07440100404677 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.653297441250658 0.000000000000000 0.000000000000000 b -5.326648720625328 9.226026218194827 0.000000000000000 c 0.000000000000000 0.000000000000000 14.469408560000000 Atomic positions (fractional): 1 H 0.00000000000000 0.00000000000000 0.08549767293374 1.008 > 1 2 H 0.50000000000000 0.00000000000000 0.08549767293374 1.008 > 1 3 H 0.00000000000000 0.50000000000000 0.08549767293374 1.008 > 1 4 H 0.50000000000000 0.50000000000000 0.08549767293374 1.008 > 1 5 H 0.00000000000000 0.00000000000000 0.58549767293374 1.008 > 1 6 H 0.50000000000000 0.00000000000000 0.58549767293374 1.008 > 1 7 H 0.00000000000000 0.50000000000000 0.58549767293374 1.008 > 1 8 H 0.50000000000000 0.50000000000000 0.58549767293374 1.008 > 1 9 H 0.17624746051534 0.17624746051534 0.36421301411543 1.008 > 9 10 H 0.67624746051534 0.17624746051534 0.36421301411543 1.008 > 9 11 H 0.17624746051534 0.67624746051534 0.36421301411543 1.008 > 9 12 H 0.67624746051534 0.67624746051534 0.36421301411543 1.008 > 9 13 H 0.17624746051534 0.17624746051534 0.86421301411543 1.008 > 9 14 H 0.67624746051534 0.17624746051534 0.86421301411543 1.008 > 9 15 H 0.17624746051534 0.67624746051534 0.86421301411543 1.008 > 9 16 H 0.67624746051534 0.67624746051534 0.86421301411543 1.008 > 9 17 H 0.00000000000000 0.32375253948466 0.36421301411543 1.008 > 17 18 H 0.50000000000000 0.32375253948466 0.36421301411543 1.008 > 17 19 H 0.00000000000000 0.82375253948466 0.36421301411543 1.008 > 17 20 H 0.50000000000000 0.82375253948466 0.36421301411543 1.008 > 17 21 H 0.00000000000000 0.32375253948466 0.86421301411543 1.008 > 17 22 H 0.50000000000000 0.32375253948466 0.86421301411543 1.008 > 17 23 H 0.00000000000000 0.82375253948466 0.86421301411543 1.008 > 17 24 H 0.50000000000000 0.82375253948466 0.86421301411543 1.008 > 17 25 H 0.32375253948466 0.00000000000000 0.36421301411543 1.008 > 25 26 H 0.82375253948466 0.00000000000000 0.36421301411543 1.008 > 25 27 H 0.32375253948466 0.50000000000000 0.36421301411543 1.008 > 25 28 H 0.82375253948466 0.50000000000000 0.36421301411543 1.008 > 25 29 H 0.32375253948466 0.00000000000000 0.86421301411543 1.008 > 25 30 H 0.82375253948466 0.00000000000000 0.86421301411543 1.008 > 25 31 H 0.32375253948466 0.50000000000000 0.86421301411543 1.008 > 25 32 H 0.82375253948466 0.50000000000000 0.86421301411543 1.008 > 25 33 O 0.00000000000000 0.00000000000000 0.15259130184464 15.999 > 33 34 O 0.50000000000000 0.00000000000000 0.15259130184464 15.999 > 33 35 O 0.00000000000000 0.50000000000000 0.15259130184464 15.999 > 33 36 O 0.50000000000000 0.50000000000000 0.15259130184464 15.999 > 33 37 O 0.00000000000000 0.00000000000000 0.65259130184464 15.999 > 33 38 O 0.50000000000000 0.00000000000000 0.65259130184464 15.999 > 33 39 O 0.00000000000000 0.50000000000000 0.65259130184464 15.999 > 33 40 O 0.50000000000000 0.50000000000000 0.65259130184464 15.999 > 33 41 O 0.16666666666667 0.33333333333333 0.14790540678385 15.999 > 41 42 O 0.66666666666667 0.33333333333333 0.14790540678385 15.999 > 41 43 O 0.16666666666667 0.83333333333333 0.14790540678385 15.999 > 41 44 O 0.66666666666667 0.83333333333333 0.14790540678385 15.999 > 41 45 O 0.16666666666667 0.33333333333333 0.64790540678385 15.999 > 41 46 O 0.66666666666667 0.33333333333333 0.64790540678385 15.999 > 41 47 O 0.16666666666667 0.83333333333333 0.64790540678385 15.999 > 41 48 O 0.66666666666667 0.83333333333333 0.64790540678385 15.999 > 41 49 O 0.33333333333333 0.16666666666667 0.14790540678385 15.999 > 49 50 O 0.83333333333333 0.16666666666667 0.14790540678385 15.999 > 49 51 O 0.33333333333333 0.66666666666667 0.14790540678385 15.999 > 49 52 O 0.83333333333333 0.66666666666667 0.14790540678385 15.999 > 49 53 O 0.33333333333333 0.16666666666667 0.64790540678385 15.999 > 49 54 O 0.83333333333333 0.16666666666667 0.64790540678385 15.999 > 49 55 O 0.33333333333333 0.66666666666667 0.64790540678385 15.999 > 49 56 O 0.83333333333333 0.66666666666667 0.64790540678385 15.999 > 49 57 O 0.25817789324196 0.00000000000000 0.49446743704097 15.999 > 57 58 O 0.75817789324196 0.00000000000000 0.49446743704097 15.999 > 57 59 O 0.25817789324196 0.50000000000000 0.49446743704097 15.999 > 57 60 O 0.75817789324196 0.50000000000000 0.49446743704097 15.999 > 57 61 O 0.25817789324196 0.00000000000000 0.99446743704097 15.999 > 57 62 O 0.75817789324196 0.00000000000000 0.99446743704097 15.999 > 57 63 O 0.25817789324196 0.50000000000000 0.99446743704097 15.999 > 57 64 O 0.75817789324196 0.50000000000000 0.99446743704097 15.999 > 57 65 O 0.00000000000000 0.25817789324196 0.49446743704097 15.999 > 65 66 O 0.50000000000000 0.25817789324196 0.49446743704097 15.999 > 65 67 O 0.00000000000000 0.75817789324196 0.49446743704097 15.999 > 65 68 O 0.50000000000000 0.75817789324196 0.49446743704097 15.999 > 65 69 O 0.00000000000000 0.25817789324196 0.99446743704097 15.999 > 65 70 O 0.50000000000000 0.25817789324196 0.99446743704097 15.999 > 65 71 O 0.00000000000000 0.75817789324196 0.99446743704097 15.999 > 65 72 O 0.50000000000000 0.75817789324196 0.99446743704097 15.999 > 65 73 O 0.24182210675804 0.24182210675804 0.49446743704097 15.999 > 73 74 O 0.74182210675804 0.24182210675804 0.49446743704097 15.999 > 73 75 O 0.24182210675804 0.74182210675804 0.49446743704097 15.999 > 73 76 O 0.74182210675804 0.74182210675804 0.49446743704097 15.999 > 73 77 O 0.24182210675804 0.24182210675804 0.99446743704097 15.999 > 73 78 O 0.74182210675804 0.24182210675804 0.99446743704097 15.999 > 73 79 O 0.24182210675804 0.74182210675804 0.99446743704097 15.999 > 73 80 O 0.74182210675804 0.74182210675804 0.99446743704097 15.999 > 73 81 O 0.33223498585635 0.00000000000000 0.29705576333050 15.999 > 81 82 O 0.83223498585635 0.00000000000000 0.29705576333050 15.999 > 81 83 O 0.33223498585635 0.50000000000000 0.29705576333050 15.999 > 81 84 O 0.83223498585635 0.50000000000000 0.29705576333050 15.999 > 81 85 O 0.33223498585635 0.00000000000000 0.79705576333050 15.999 > 81 86 O 0.83223498585635 0.00000000000000 0.79705576333050 15.999 > 81 87 O 0.33223498585635 0.50000000000000 0.79705576333050 15.999 > 81 88 O 0.83223498585635 0.50000000000000 0.79705576333050 15.999 > 81 89 O 0.00000000000000 0.33223498585635 0.29705576333050 15.999 > 89 90 O 0.50000000000000 0.33223498585635 0.29705576333050 15.999 > 89 91 O 0.00000000000000 0.83223498585635 0.29705576333050 15.999 > 89 92 O 0.50000000000000 0.83223498585635 0.29705576333050 15.999 > 89 93 O 0.00000000000000 0.33223498585635 0.79705576333050 15.999 > 89 94 O 0.50000000000000 0.33223498585635 0.79705576333050 15.999 > 89 95 O 0.00000000000000 0.83223498585635 0.79705576333050 15.999 > 89 96 O 0.50000000000000 0.83223498585635 0.79705576333050 15.999 > 89 97 O 0.16776501414365 0.16776501414365 0.29705576333050 15.999 > 97 98 O 0.66776501414365 0.16776501414365 0.29705576333050 15.999 > 97 99 O 0.16776501414365 0.66776501414365 0.29705576333050 15.999 > 97 100 O 0.66776501414365 0.66776501414365 0.29705576333050 15.999 > 97 101 O 0.16776501414365 0.16776501414365 0.79705576333050 15.999 > 97 102 O 0.66776501414365 0.16776501414365 0.79705576333050 15.999 > 97 103 O 0.16776501414365 0.66776501414365 0.79705576333050 15.999 > 97 104 O 0.66776501414365 0.66776501414365 0.79705576333050 15.999 > 97 105 Mg 0.16545945990902 0.00000000000000 0.23014684471548 24.305 > 105 106 Mg 0.66545945990902 0.00000000000000 0.23014684471548 24.305 > 105 107 Mg 0.16545945990902 0.50000000000000 0.23014684471548 24.305 > 105 108 Mg 0.66545945990902 0.50000000000000 0.23014684471548 24.305 > 105 109 Mg 0.16545945990902 0.00000000000000 0.73014684471548 24.305 > 105 110 Mg 0.66545945990902 0.00000000000000 0.73014684471548 24.305 > 105 111 Mg 0.16545945990902 0.50000000000000 0.73014684471548 24.305 > 105 112 Mg 0.66545945990902 0.50000000000000 0.73014684471548 24.305 > 105 113 Mg 0.00000000000000 0.16545945990902 0.23014684471548 24.305 > 113 114 Mg 0.50000000000000 0.16545945990902 0.23014684471548 24.305 > 113 115 Mg 0.00000000000000 0.66545945990902 0.23014684471548 24.305 > 113 116 Mg 0.50000000000000 0.66545945990902 0.23014684471548 24.305 > 113 117 Mg 0.00000000000000 0.16545945990902 0.73014684471548 24.305 > 113 118 Mg 0.50000000000000 0.16545945990902 0.73014684471548 24.305 > 113 119 Mg 0.00000000000000 0.66545945990902 0.73014684471548 24.305 > 113 120 Mg 0.50000000000000 0.66545945990902 0.73014684471548 24.305 > 113 121 Mg 0.33454054009098 0.33454054009098 0.23014684471548 24.305 > 121 122 Mg 0.83454054009098 0.33454054009098 0.23014684471548 24.305 > 121 123 Mg 0.33454054009098 0.83454054009098 0.23014684471548 24.305 > 121 124 Mg 0.83454054009098 0.83454054009098 0.23014684471548 24.305 > 121 125 Mg 0.33454054009098 0.33454054009098 0.73014684471548 24.305 > 121 126 Mg 0.83454054009098 0.33454054009098 0.73014684471548 24.305 > 121 127 Mg 0.33454054009098 0.83454054009098 0.73014684471548 24.305 > 121 128 Mg 0.83454054009098 0.83454054009098 0.73014684471548 24.305 > 121 129 Si 0.16666666666667 0.33333333333333 0.03720050202338 28.085 > 129 130 Si 0.66666666666667 0.33333333333333 0.03720050202338 28.085 > 129 131 Si 0.16666666666667 0.83333333333333 0.03720050202338 28.085 > 129 132 Si 0.66666666666667 0.83333333333333 0.03720050202338 28.085 > 129 133 Si 0.16666666666667 0.33333333333333 0.53720050202338 28.085 > 129 134 Si 0.66666666666667 0.33333333333333 0.53720050202338 28.085 > 129 135 Si 0.16666666666667 0.83333333333333 0.53720050202338 28.085 > 129 136 Si 0.66666666666667 0.83333333333333 0.53720050202338 28.085 > 129 137 Si 0.33333333333333 0.16666666666667 0.03720050202338 28.085 > 137 138 Si 0.83333333333333 0.16666666666667 0.03720050202338 28.085 > 137 139 Si 0.33333333333333 0.66666666666667 0.03720050202338 28.085 > 137 140 Si 0.83333333333333 0.66666666666667 0.03720050202338 28.085 > 137 141 Si 0.33333333333333 0.16666666666667 0.53720050202338 28.085 > 137 142 Si 0.83333333333333 0.16666666666667 0.53720050202338 28.085 > 137 143 Si 0.33333333333333 0.66666666666667 0.53720050202338 28.085 > 137 144 Si 0.83333333333333 0.66666666666667 0.53720050202338 28.085 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6121024 0.0000000 0.0000000 0.0000000 2.6121024 0.0000000 0.0000000 0.0000000 2.5846034 -------------------------- Born effective charges -------------------------- 1 H 0.4769283 0.0000000 0.0000000 -0.0000000 0.4769283 0.0000000 -0.0000000 0.0000000 0.0836221 2 H 0.3669780 0.0000023 0.0509223 0.0000023 0.3669807 0.0882000 0.0671854 0.1163685 0.7018485 3 H 0.3669780 -0.0000023 0.0509223 -0.0000023 0.3669807 -0.0882000 0.0671854 -0.1163685 0.7018485 4 H 0.3669820 0.0000000 -0.1018446 -0.0000000 0.3669767 0.0000000 -0.1343708 -0.0000000 0.7018485 5 O -1.4903828 -0.0000000 0.0000000 -0.0000000 -1.4903828 0.0000000 -0.0000000 0.0000000 -1.0024369 6 O -1.5307638 0.0021838 0.0000000 -0.0021838 -1.5307638 0.0000000 -0.0000000 0.0000000 -1.8593572 7 O -1.5307638 -0.0021838 0.0000000 0.0021838 -1.5307638 0.0000000 -0.0000000 0.0000000 -1.8593572 8 O -1.0598211 0.0000000 0.0716014 -0.0000000 -2.7817356 0.0000000 0.1088785 0.0000000 -1.4187787 9 O -2.3512569 -0.7456108 -0.0358007 -0.7456108 -1.4902997 0.0620086 -0.0544393 0.0942916 -1.4187787 10 O -2.3512569 0.7456108 -0.0358007 0.7456108 -1.4902997 -0.0620086 -0.0544393 -0.0942916 -1.4187787 11 O -1.3733199 0.0000000 0.0633391 -0.0000000 -1.3941139 0.0000000 0.0441058 0.0000000 -1.3871568 12 O -1.3889154 -0.0090041 -0.0316695 -0.0090041 -1.3785184 0.0548532 -0.0220529 0.0381967 -1.3871568 13 O -1.3889154 0.0090041 -0.0316695 0.0090041 -1.3785184 -0.0548532 -0.0220529 -0.0381967 -1.3871568 14 Mg 2.0006782 -0.0000000 -0.0212722 -0.0000000 2.0487164 0.0000000 -0.0697533 -0.0000000 1.8804223 15 Mg 2.0367068 0.0208012 0.0106361 0.0208012 2.0126877 -0.0184223 0.0348767 -0.0604081 1.8804223 16 Mg 2.0367068 -0.0208012 0.0106361 -0.0208012 2.0126877 0.0184223 0.0348767 0.0604081 1.8804223 17 Si 3.4067190 -0.0386122 0.0000000 0.0386122 3.4067190 0.0000000 -0.0000000 0.0000000 2.6542616 18 Si 3.4067190 0.0386122 0.0000000 -0.0386122 3.4067190 0.0000000 -0.0000000 0.0000000 2.6542616 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000081 (zzz) 0.00000081 (zzz) 0.00000081 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 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: 0.74, Number of G-points: 299, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/94) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 94 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 3.717 ( 0.000 -0.000 0.000) 0.000 3.737 ( 0.000 0.000 -0.000) 0.000 3.737 ( 0.000 0.000 -0.000) 0.000 6.110 ( 0.000 0.000 0.000) 0.000 6.110 ( 0.000 0.000 0.000) 0.000 6.743 ( 0.000 0.000 0.000) 0.000 8.049 ( 0.000 0.000 0.000) 0.000 8.049 ( 0.000 0.000 0.000) 0.000 8.831 ( -0.000 0.000 0.000) 0.000 8.831 ( 0.000 0.000 0.000) 0.000 9.274 ( 0.000 0.000 -0.000) 0.000 9.274 ( 0.000 0.000 0.000) 0.000 9.721 ( 0.000 -0.000 0.000) 0.000 10.317 ( 0.000 0.000 0.000) 0.000 10.709 ( 0.000 0.000 0.000) 0.000 10.709 ( 0.000 0.000 0.000) 0.000 11.125 ( 0.000 0.000 -0.000) 0.000 11.422 ( 0.000 0.000 -0.000) 0.000 12.048 ( 0.000 -0.000 0.000) 0.000 12.048 ( 0.000 0.000 0.000) 0.000 12.644 ( 0.000 0.000 -0.000) 0.000 12.644 ( 0.000 0.000 0.000) 0.000 13.091 ( 0.000 0.000 0.000) 0.000 13.091 ( 0.000 0.000 -0.000) 0.000 13.657 ( 0.000 0.000 0.000) 0.000 13.657 ( 0.000 0.000 0.000) 0.000 14.002 ( 0.000 0.000 -0.000) 0.000 14.459 ( 0.000 -0.000 -0.000) 0.000 14.515 ( 0.000 0.000 0.000) 0.000 14.515 ( 0.000 -0.000 0.000) 0.000 15.884 ( -0.000 0.000 -0.000) 0.000 17.767 ( 0.000 0.000 -0.000) 0.000 17.767 ( 0.000 -0.000 0.000) 0.000 19.658 ( 0.000 0.000 0.000) 0.000 19.658 ( 0.000 0.000 -0.000) 0.000 19.970 ( 0.000 0.000 -0.000) 0.000 21.328 ( 0.000 0.000 0.000) 0.000 21.328 ( 0.000 -0.000 -0.000) 0.000 21.884 ( 0.000 0.000 0.000) 0.000 23.536 ( 0.000 0.000 -0.000) 0.000 23.536 ( 0.000 0.000 -0.000) 0.000 23.798 ( -0.000 0.000 -0.000) 0.000 27.510 ( 0.000 0.000 0.000) 0.000 27.510 ( 0.000 0.000 -0.000) 0.000 28.528 ( 0.000 0.000 0.000) 0.000 30.782 ( 0.000 0.000 -0.000) 0.000 30.980 ( 0.000 0.000 -0.000) 0.000 109.967 ( 0.000 0.000 0.000) 0.000 109.967 ( 0.000 0.000 -0.000) 0.000 110.623 ( -0.000 0.000 0.000) 0.000 113.415 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/94) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 27.954 16.139 0.000) 32.278 1.006 ( 41.951 24.220 0.000) 48.441 1.811 ( 77.209 44.577 0.000) 89.154 3.742 ( 1.538 0.888 0.000) 1.776 4.025 ( 26.235 15.147 0.000) 30.294 4.197 ( 35.928 20.743 0.000) 41.486 6.007 ( -8.434 -4.869 0.000) 9.738 6.120 ( 0.882 0.509 0.000) 1.018 6.804 ( 5.016 2.896 0.000) 5.792 7.980 ( -6.086 -3.514 0.000) 7.027 8.054 ( -1.188 -0.686 0.000) 1.372 8.828 ( -0.881 -0.508 0.000) 1.017 8.938 ( -12.219 -7.055 0.000) 14.110 9.127 ( 1.911 1.103 0.000) 2.207 9.267 ( -7.219 -4.168 0.000) 8.335 9.737 ( -2.371 -1.369 0.000) 2.738 10.083 ( -14.447 -8.341 0.000) 16.681 10.650 ( -4.070 -2.350 0.000) 4.700 10.765 ( -3.841 -2.218 0.000) 4.436 11.092 ( -0.191 -0.110 0.000) 0.221 11.451 ( 2.505 1.446 0.000) 2.893 12.065 ( 0.332 0.191 0.000) 0.383 12.243 ( 7.529 4.347 0.000) 8.694 12.650 ( 0.463 0.268 0.000) 0.535 13.051 ( -3.202 -1.849 0.000) 3.697 13.126 ( 6.909 3.989 0.000) 7.978 13.663 ( -1.070 -0.618 0.000) 1.236 13.740 ( 5.815 3.357 0.000) 6.715 14.097 ( 10.082 5.821 0.000) 11.641 14.427 ( -2.881 -1.664 0.000) 3.327 14.499 ( 0.860 0.496 0.000) 0.993 14.532 ( 1.409 0.814 0.000) 1.627 15.541 ( -7.151 -4.128 0.000) 8.257 15.914 ( 2.041 1.179 0.000) 2.357 17.697 ( -5.852 -3.379 0.000) 6.757 18.045 ( -8.921 -5.150 0.000) 10.301 19.683 ( 1.851 1.069 0.000) 2.137 19.827 ( -9.809 -5.663 0.000) 11.326 21.073 ( 4.387 2.533 0.000) 5.065 21.268 ( -2.102 -1.214 0.000) 2.427 21.467 ( 7.759 4.480 0.000) 8.960 21.787 ( -5.520 -3.187 0.000) 6.374 23.212 ( -20.215 -11.671 0.000) 23.342 23.645 ( 8.377 4.836 0.000) 9.673 24.018 ( 11.546 6.666 0.000) 13.332 27.506 ( -0.267 -0.154 0.000) 0.308 28.640 ( 9.296 5.367 0.000) 10.734 30.599 ( -3.876 -2.238 0.000) 4.476 30.802 ( 1.829 1.056 0.000) 2.112 30.999 ( 1.372 0.792 0.000) 1.584 109.971 ( 0.383 0.221 0.000) 0.443 109.982 ( 0.246 0.142 0.000) 0.284 110.597 ( -2.227 -1.286 0.000) 2.571 113.414 ( -0.097 -0.056 0.000) 0.112 ======================= Grid point 2 (3/94) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 34.080 19.676 0.000) 39.352 1.877 ( 34.100 19.688 0.000) 39.376 3.471 ( 67.172 38.782 0.000) 77.564 3.820 ( 6.845 3.952 0.000) 7.904 4.832 ( 42.315 24.431 0.000) 48.862 5.186 ( 42.572 24.579 0.000) 49.158 5.803 ( -3.605 -2.081 0.000) 4.162 6.146 ( 1.315 0.759 0.000) 1.519 6.954 ( 7.899 4.560 0.000) 9.121 7.769 ( -12.257 -7.076 0.000) 14.153 7.981 ( -6.817 -3.936 0.000) 7.871 8.430 ( -26.367 -15.223 0.000) 30.446 8.721 ( -14.248 -8.226 0.000) 16.453 9.039 ( -6.026 -3.479 0.000) 6.958 9.315 ( 7.593 4.384 0.000) 8.768 9.627 ( -4.485 -2.590 0.000) 5.179 9.845 ( -5.389 -3.111 0.000) 6.222 10.506 ( -9.975 -5.759 0.000) 11.518 10.651 ( -2.673 -1.544 0.000) 3.087 11.120 ( 1.283 0.741 0.000) 1.482 11.525 ( 3.370 1.946 0.000) 3.891 12.024 ( -4.152 -2.397 0.000) 4.794 12.446 ( 8.745 5.049 0.000) 10.098 12.666 ( 1.501 0.867 0.000) 1.733 12.969 ( -3.221 -1.859 0.000) 3.719 13.309 ( 7.078 4.086 0.000) 8.173 13.581 ( -4.696 -2.711 0.000) 5.422 13.838 ( 1.705 0.984 0.000) 1.969 14.326 ( -2.275 -1.313 0.000) 2.627 14.439 ( 11.272 6.508 0.000) 13.016 14.535 ( 3.882 2.241 0.000) 4.483 14.583 ( 4.270 2.465 0.000) 4.930 15.334 ( -10.702 -6.179 0.000) 12.358 15.967 ( 3.019 1.743 0.000) 3.486 17.527 ( -8.303 -4.794 0.000) 9.587 17.838 ( -7.383 -4.263 0.000) 8.526 19.571 ( -10.635 -6.140 0.000) 12.280 19.765 ( 3.635 2.098 0.000) 4.197 20.893 ( -15.025 -8.675 0.000) 17.350 21.187 ( -10.297 -5.945 0.000) 11.890 21.652 ( 6.654 3.842 0.000) 7.684 21.936 ( 19.985 11.538 0.000) 23.077 22.711 ( -23.076 -13.323 0.000) 26.646 23.850 ( 8.352 4.822 0.000) 9.644 24.257 ( 9.560 5.519 0.000) 11.039 27.499 ( -0.383 -0.221 0.000) 0.442 28.913 ( 13.739 7.932 0.000) 15.865 30.485 ( -5.829 -3.366 0.000) 6.731 30.860 ( 3.038 1.754 0.000) 3.508 31.035 ( 1.778 1.027 0.000) 2.053 109.983 ( 0.578 0.334 0.000) 0.668 109.992 ( 0.680 0.393 0.000) 0.785 110.526 ( -3.870 -2.234 0.000) 4.469 113.411 ( -0.161 -0.093 0.000) 0.186 ======================= Grid point 3 (4/94) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 35.401 20.439 0.000) 40.877 2.526 ( 22.135 12.780 0.000) 25.560 4.038 ( 15.836 9.143 0.000) 18.286 4.904 ( 55.701 32.159 0.000) 64.318 5.302 ( -14.805 -8.548 0.000) 17.095 5.830 ( 39.020 22.528 0.000) 45.057 6.199 ( 7.161 4.134 0.000) 8.269 6.550 ( 48.114 27.779 0.000) 55.557 7.143 ( 7.820 4.515 0.000) 9.029 7.467 ( -12.860 -7.425 0.000) 14.850 7.595 ( -25.398 -14.664 0.000) 29.327 7.871 ( -22.321 -12.887 0.000) 25.774 8.350 ( -11.668 -6.736 0.000) 13.473 9.007 ( -0.362 -0.209 0.000) 0.418 9.348 ( -3.710 -2.142 0.000) 4.284 9.541 ( -5.525 -3.190 0.000) 6.380 9.852 ( 3.628 2.094 0.000) 4.189 10.282 ( -6.550 -3.782 0.000) 7.563 10.645 ( 1.826 1.054 0.000) 2.108 11.116 ( -1.957 -1.130 0.000) 2.259 11.577 ( 0.860 0.497 0.000) 0.993 11.879 ( -8.409 -4.855 0.000) 9.710 12.525 ( -2.007 -1.159 0.000) 2.317 12.787 ( 8.194 4.731 0.000) 9.461 12.927 ( -0.397 -0.229 0.000) 0.459 13.311 ( -6.255 -3.612 0.000) 7.223 13.559 ( 1.150 0.664 0.000) 1.327 13.812 ( -2.510 -1.449 0.000) 2.898 14.266 ( -1.776 -1.025 0.000) 2.051 14.435 ( -5.934 -3.426 0.000) 6.852 14.711 ( 7.137 4.120 0.000) 8.241 14.816 ( 10.463 6.041 0.000) 12.082 15.091 ( -8.121 -4.689 0.000) 9.377 16.086 ( 7.956 4.593 0.000) 9.187 17.361 ( -5.733 -3.310 0.000) 6.620 17.766 ( 1.547 0.893 0.000) 1.787 19.330 ( -10.229 -5.906 0.000) 11.812 19.855 ( 3.576 2.065 0.000) 4.129 20.495 ( -18.735 -10.816 0.000) 21.633 20.889 ( -13.670 -7.892 0.000) 15.785 21.790 ( 3.241 1.871 0.000) 3.742 22.211 ( -18.610 -10.745 0.000) 21.489 22.464 ( 24.173 13.956 0.000) 27.912 23.982 ( 2.687 1.552 0.000) 3.103 24.459 ( 8.211 4.741 0.000) 9.481 27.489 ( -0.487 -0.281 0.000) 0.562 29.227 ( 13.208 7.626 0.000) 15.252 30.345 ( -6.287 -3.630 0.000) 7.259 30.928 ( 2.690 1.553 0.000) 3.106 31.082 ( 2.425 1.400 0.000) 2.800 109.994 ( 0.398 0.230 0.000) 0.459 110.017 ( 1.488 0.859 0.000) 1.718 110.428 ( -4.624 -2.670 0.000) 5.339 113.407 ( -0.173 -0.100 0.000) 0.200 ======================= Grid point 4 (5/94) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( 23.385 13.501 0.000) 27.002 2.911 ( 19.571 11.299 0.000) 22.598 4.529 ( 24.733 14.280 0.000) 28.559 4.903 ( -17.898 -10.334 0.000) 20.667 5.899 ( 20.532 11.854 0.000) 23.708 6.165 ( 15.486 8.941 0.000) 17.882 6.769 ( -4.409 -2.545 0.000) 5.091 6.905 ( -22.334 -12.895 0.000) 25.789 7.023 ( 21.323 12.311 0.000) 24.622 7.317 ( -11.467 -6.620 0.000) 13.241 7.565 ( 14.367 8.295 0.000) 16.589 7.820 ( 37.438 21.615 0.000) 43.230 8.205 ( -2.937 -1.696 0.000) 3.392 8.942 ( -5.988 -3.457 0.000) 6.914 9.141 ( -14.682 -8.477 0.000) 16.954 9.410 ( -6.218 -3.590 0.000) 7.180 9.825 ( -4.137 -2.389 0.000) 4.777 10.325 ( 8.224 4.748 0.000) 9.496 10.722 ( 4.380 2.529 0.000) 5.058 11.017 ( -7.098 -4.098 0.000) 8.196 11.573 ( -0.490 -0.283 0.000) 0.566 11.662 ( -9.944 -5.741 0.000) 11.482 12.432 ( -5.100 -2.945 0.000) 5.889 12.907 ( 0.976 0.563 0.000) 1.127 12.968 ( 4.079 2.355 0.000) 4.710 13.165 ( -5.028 -2.903 0.000) 5.805 13.476 ( -7.616 -4.397 0.000) 8.794 13.814 ( 2.222 1.283 0.000) 2.566 14.208 ( -11.926 -6.886 0.000) 13.771 14.240 ( -1.669 -0.964 0.000) 1.927 14.810 ( 1.024 0.591 0.000) 1.182 14.943 ( 5.358 3.093 0.000) 6.187 15.108 ( 5.443 3.143 0.000) 6.285 16.310 ( 10.484 6.053 0.000) 12.106 17.267 ( -2.747 -1.586 0.000) 3.172 17.900 ( 9.329 5.386 0.000) 10.772 19.122 ( -7.429 -4.289 0.000) 8.579 19.823 ( -10.763 -6.214 0.000) 12.428 20.156 ( -6.549 -3.781 0.000) 7.562 20.626 ( -8.311 -4.799 0.000) 9.597 21.605 ( -15.879 -9.168 0.000) 18.336 22.065 ( 2.654 1.532 0.000) 3.065 22.991 ( 21.533 12.432 0.000) 24.864 23.964 ( -4.136 -2.388 0.000) 4.776 24.622 ( 5.849 3.377 0.000) 6.754 27.478 ( -0.483 -0.279 0.000) 0.557 29.494 ( 9.949 5.744 0.000) 11.488 30.206 ( -5.779 -3.336 0.000) 6.673 30.977 ( 1.571 0.907 0.000) 1.815 31.141 ( 2.507 1.448 0.000) 2.895 110.002 ( 0.275 0.159 0.000) 0.317 110.059 ( 2.180 1.259 0.000) 2.518 110.322 ( -4.477 -2.585 0.000) 5.169 113.403 ( -0.131 -0.076 0.000) 0.151 ======================= Grid point 5 (6/94) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( 2.357 1.361 0.000) 2.722 3.560 ( 25.980 14.999 0.000) 29.999 4.367 ( -21.058 -12.158 0.000) 24.316 5.222 ( 26.312 15.191 0.000) 30.382 5.989 ( 0.519 0.300 0.000) 0.599 6.207 ( -24.304 -14.032 0.000) 28.063 6.393 ( -11.890 -6.865 0.000) 13.729 6.735 ( 13.005 7.508 0.000) 15.017 7.092 ( -6.131 -3.540 0.000) 7.080 7.815 ( 27.612 15.942 0.000) 31.884 7.923 ( 13.341 7.702 0.000) 15.405 8.190 ( 4.095 2.364 0.000) 4.728 8.524 ( 8.203 4.736 0.000) 9.472 8.694 ( -13.678 -7.897 0.000) 15.794 8.853 ( 1.433 0.827 0.000) 1.654 9.187 ( -13.337 -7.700 0.000) 15.400 9.781 ( 0.001 0.000 0.000) 0.001 10.537 ( 9.573 5.527 0.000) 11.054 10.782 ( -7.080 -4.088 0.000) 8.175 10.831 ( -0.992 -0.573 0.000) 1.146 11.472 ( -5.324 -3.074 0.000) 6.147 11.576 ( 0.533 0.308 0.000) 0.616 12.333 ( -2.743 -1.584 0.000) 3.167 12.898 ( -0.839 -0.484 0.000) 0.968 13.038 ( 1.990 1.149 0.000) 2.298 13.110 ( -0.224 -0.129 0.000) 0.259 13.302 ( -5.907 -3.410 0.000) 6.820 13.868 ( 2.481 1.433 0.000) 2.865 13.965 ( -7.315 -4.223 0.000) 8.447 14.221 ( -0.467 -0.270 0.000) 0.539 14.834 ( 0.906 0.523 0.000) 1.046 15.049 ( 2.774 1.602 0.000) 3.204 15.199 ( 2.153 1.243 0.000) 2.486 16.499 ( 4.864 2.808 0.000) 5.617 17.229 ( -0.733 -0.423 0.000) 0.847 18.109 ( 6.548 3.780 0.000) 7.561 19.030 ( -0.311 -0.180 0.000) 0.359 19.486 ( -12.520 -7.228 0.000) 14.457 20.114 ( -0.513 -0.296 0.000) 0.593 20.536 ( -0.480 -0.277 0.000) 0.554 21.307 ( -7.987 -4.611 0.000) 9.223 22.126 ( 1.649 0.952 0.000) 1.904 23.416 ( 14.640 8.453 0.000) 16.905 23.807 ( -8.666 -5.003 0.000) 10.006 24.715 ( 2.112 1.220 0.000) 2.439 27.469 ( -0.212 -0.122 0.000) 0.245 29.665 ( 4.455 2.572 0.000) 5.144 30.097 ( -3.138 -1.812 0.000) 3.623 31.001 ( 0.538 0.311 0.000) 0.621 31.184 ( 1.049 0.606 0.000) 1.212 110.006 ( 0.100 0.057 0.000) 0.115 110.112 ( 2.136 1.233 0.000) 2.466 110.233 ( -2.974 -1.717 0.000) 3.434 113.401 ( -0.049 -0.028 0.000) 0.056 ======================= Grid point 12 (7/94) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 18.970 32.858 1.813) 37.984 1.762 ( 25.301 43.823 7.082) 51.096 2.986 ( 38.221 66.201 -2.253) 76.476 4.079 ( 9.604 16.635 -3.077) 19.453 4.155 ( 12.979 22.481 -0.604) 25.966 5.050 ( 29.642 51.342 0.712) 59.289 5.858 ( -4.270 -7.396 1.235) 8.629 6.131 ( 0.305 0.529 -0.264) 0.665 6.910 ( 4.364 7.559 -0.382) 8.736 7.801 ( -7.994 -13.845 0.073) 15.987 8.062 ( 0.287 0.497 -0.690) 0.898 8.618 ( -11.502 -19.921 1.163) 23.032 8.802 ( -13.732 -23.784 -0.008) 27.464 8.934 ( -0.458 -0.794 -0.095) 0.922 9.368 ( 5.915 10.246 -0.626) 11.847 9.630 ( -5.074 -8.788 -0.420) 10.156 9.931 ( -2.559 -4.432 1.199) 5.256 10.456 ( -6.945 -12.029 -1.176) 13.939 10.768 ( -1.864 -3.229 0.359) 3.746 11.114 ( 2.289 3.964 -0.001) 4.577 11.484 ( 0.969 1.679 -0.404) 1.981 12.062 ( -1.018 -1.763 0.618) 2.127 12.387 ( 5.631 9.754 -0.959) 11.303 12.663 ( 0.544 0.943 0.214) 1.109 13.039 ( -0.799 -1.384 0.750) 1.765 13.161 ( 0.963 1.668 -2.422) 3.094 13.668 ( -2.665 -4.616 -1.491) 5.535 13.811 ( 4.251 7.362 1.871) 8.705 14.314 ( 7.529 13.040 3.166) 15.387 14.349 ( -3.188 -5.522 1.713) 6.602 14.554 ( 2.502 4.334 -1.535) 5.235 14.565 ( 2.457 4.256 -2.434) 5.484 15.386 ( -6.170 -10.687 -6.011) 13.726 15.945 ( 0.821 1.422 7.909) 8.078 17.597 ( -3.618 -6.266 -0.249) 7.240 17.873 ( -5.876 -10.178 -0.524) 11.764 19.648 ( -6.239 -10.807 0.181) 12.480 19.730 ( 1.883 3.261 -1.089) 3.919 21.049 ( -7.595 -13.155 0.351) 15.194 21.149 ( -2.657 -4.602 3.918) 6.602 21.575 ( 1.857 3.216 -4.119) 5.546 21.890 ( 10.276 17.798 -0.166) 20.552 22.840 ( -13.649 -23.641 0.205) 27.299 23.815 ( 6.167 10.682 -0.210) 12.337 24.189 ( 5.248 9.090 0.693) 10.519 27.504 ( -0.030 -0.051 -0.047) 0.076 28.832 ( 7.582 13.133 -0.193) 15.166 30.523 ( -3.068 -5.314 -1.790) 6.392 30.838 ( 1.580 2.737 0.055) 3.160 31.021 ( 0.687 1.191 1.888) 2.335 109.980 ( 0.390 0.676 0.021) 0.780 109.988 ( 0.237 0.411 -0.044) 0.477 110.548 ( -2.027 -3.511 0.016) 4.054 113.412 ( -0.086 -0.149 -0.000) 0.172 ======================= Grid point 13 (8/94) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 26.482 30.989 1.543) 40.793 2.566 ( 16.742 44.075 4.980) 47.410 4.027 ( 6.025 29.871 -0.919) 30.486 4.492 ( 35.692 45.424 -1.531) 57.789 5.015 ( 53.315 9.056 -1.672) 54.104 5.446 ( -8.235 -8.311 0.481) 11.710 6.132 ( 0.913 -1.521 0.353) 1.809 6.346 ( 32.463 52.183 1.143) 61.467 7.085 ( 6.396 8.448 -1.025) 10.646 7.467 ( -10.120 -20.230 -1.216) 22.653 7.969 ( -23.313 -5.094 1.728) 23.926 8.100 ( -17.214 -14.214 -1.022) 22.347 8.296 ( -5.431 -29.671 1.006) 30.181 8.964 ( 3.164 -1.591 -0.194) 3.547 9.437 ( -6.426 -1.882 -1.692) 6.906 9.594 ( 2.627 6.951 -0.246) 7.435 9.887 ( -3.123 4.781 1.070) 5.810 10.231 ( -2.094 -16.341 0.174) 16.475 10.684 ( -3.402 0.018 -0.389) 3.424 11.186 ( -1.378 5.738 -0.209) 5.905 11.521 ( 3.155 -1.730 0.006) 3.599 11.973 ( -6.165 -3.775 0.773) 7.271 12.567 ( 1.667 6.931 -0.863) 7.180 12.701 ( 4.478 2.083 0.187) 4.942 12.979 ( -4.783 2.216 -0.294) 5.280 13.230 ( 7.905 -7.339 -1.704) 10.920 13.533 ( -4.818 -5.984 -1.478) 7.823 13.900 ( -2.565 3.540 1.206) 4.535 14.238 ( -1.714 -6.150 3.023) 7.064 14.429 ( 0.429 -4.301 2.227) 4.862 14.672 ( 4.480 6.534 -1.943) 8.157 14.778 ( 7.849 15.713 -1.778) 17.654 15.157 ( -7.159 -10.055 -1.905) 12.489 15.980 ( 4.027 -0.845 4.101) 5.810 17.473 ( -6.321 0.100 -0.527) 6.344 17.739 ( 0.086 -3.761 -0.996) 3.891 19.422 ( -8.483 -8.892 0.301) 12.293 19.808 ( 3.544 2.380 -1.570) 4.549 20.700 ( -16.934 -11.778 0.962) 20.650 20.942 ( -7.116 -16.442 1.907) 18.017 21.713 ( 7.546 5.124 -1.125) 9.190 22.317 ( -2.236 1.951 -0.168) 2.973 22.369 ( 0.972 0.724 -1.183) 1.694 24.004 ( 2.748 9.724 0.455) 10.115 24.359 ( 7.197 4.139 0.937) 8.355 27.505 ( -0.383 0.921 -0.015) 0.997 29.119 ( 10.438 12.145 -0.428) 16.020 30.401 ( -4.910 -5.068 -1.359) 7.186 30.904 ( 2.477 2.735 0.150) 3.693 31.044 ( 1.700 -0.351 1.412) 2.237 109.994 ( 0.198 0.779 -0.012) 0.804 110.002 ( 1.058 0.651 -0.017) 1.242 110.464 ( -3.375 -3.899 0.018) 5.157 113.408 ( -0.133 -0.155 -0.001) 0.204 ======================= Grid point 14 (9/94) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 28.615 28.411 1.507) 40.352 3.161 ( -0.685 46.634 2.454) 46.704 4.319 ( 9.505 19.714 -1.108) 21.914 5.104 ( -15.717 -10.634 1.291) 19.020 5.646 ( 37.043 37.609 0.007) 52.788 5.946 ( 27.345 -2.103 0.672) 27.434 6.229 ( 33.240 0.419 -0.122) 33.243 6.986 ( -9.618 -8.991 -1.225) 13.224 7.090 ( -13.565 -19.995 -0.784) 24.175 7.395 ( -5.368 -0.730 -0.083) 5.418 7.518 ( 12.414 22.430 -0.388) 25.640 7.733 ( -1.932 5.350 0.229) 5.693 8.177 ( 1.373 -1.291 0.557) 1.966 8.967 ( -0.843 -4.996 0.025) 5.067 9.295 ( -7.433 -5.549 -2.330) 9.564 9.540 ( -11.632 4.150 0.540) 12.362 9.885 ( -4.839 -1.710 -0.252) 5.138 10.164 ( 9.823 -4.489 0.831) 10.832 10.691 ( 1.781 3.041 -0.738) 3.601 11.167 ( -6.922 5.327 0.093) 8.735 11.540 ( 1.740 -3.066 -0.001) 3.525 11.788 ( -9.761 -5.302 0.734) 11.133 12.540 ( -7.378 2.728 0.324) 7.873 12.847 ( 7.051 0.933 -0.005) 7.112 12.954 ( -0.716 2.449 -0.962) 2.727 13.208 ( -2.890 -5.274 -0.476) 6.033 13.442 ( 2.537 -9.799 -1.974) 10.313 13.816 ( -4.941 -2.731 0.414) 5.661 14.174 ( 0.671 -7.297 2.523) 7.750 14.298 ( -7.422 -9.430 0.504) 12.011 14.747 ( 2.158 -4.895 0.199) 5.354 14.991 ( 0.952 11.590 -0.322) 11.633 15.087 ( 3.374 6.335 0.662) 7.208 16.095 ( 11.445 -3.220 0.013) 11.890 17.412 ( -5.784 8.800 -0.781) 10.560 17.815 ( 7.428 5.287 -1.130) 9.188 19.194 ( -8.013 -8.090 0.538) 11.400 19.861 ( -0.172 -2.347 -2.856) 3.700 20.295 ( -15.601 -8.836 2.044) 18.045 20.662 ( -6.545 -13.989 0.857) 15.468 21.757 ( -12.309 -8.608 -0.249) 15.022 21.986 ( 3.355 -6.065 0.406) 6.943 22.858 ( 15.909 23.430 -1.270) 28.349 24.068 ( -4.918 6.518 0.844) 8.209 24.518 ( 8.299 0.911 1.035) 8.413 27.507 ( -1.169 2.215 0.022) 2.505 29.401 ( 9.526 9.518 -0.589) 13.480 30.265 ( -5.353 -4.380 -0.834) 6.967 30.959 ( 1.301 1.295 0.340) 1.867 31.081 ( 3.812 -1.579 0.686) 4.183 110.004 ( 0.057 0.732 -0.027) 0.735 110.035 ( 1.822 0.998 -0.002) 2.078 110.363 ( -3.863 -3.735 0.017) 5.374 113.405 ( -0.127 -0.130 -0.001) 0.182 ======================= Grid point 15 (10/94) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.251 ( 20.148 28.202 2.449) 34.746 3.468 ( -12.263 45.007 -0.387) 46.650 4.592 ( -13.292 -8.676 0.549) 15.882 4.883 ( 18.485 8.865 0.603) 20.510 5.915 ( 2.550 -8.762 2.525) 9.468 6.374 ( -7.947 -7.943 -0.107) 11.236 6.528 ( -17.566 -19.247 0.864) 26.072 6.631 ( 9.415 7.994 -0.782) 12.376 7.115 ( 18.186 -1.230 -1.474) 18.287 7.267 ( 24.079 1.102 -1.120) 24.131 7.769 ( 16.280 4.501 -0.976) 16.919 8.147 ( -2.921 9.719 0.873) 10.186 8.469 ( 19.647 30.486 -0.682) 36.275 8.766 ( -10.369 -18.230 -0.163) 20.973 9.079 ( -13.687 4.120 -0.136) 14.294 9.374 ( -11.925 0.755 -1.498) 12.042 9.762 ( -2.013 -5.113 0.532) 5.520 10.356 ( 12.407 -0.350 -0.544) 12.424 10.741 ( -0.800 1.121 -0.734) 1.560 11.077 ( -9.557 7.889 0.887) 12.424 11.516 ( -2.833 -4.718 0.652) 5.542 11.589 ( -4.388 -2.290 -0.306) 4.959 12.427 ( -7.567 2.454 0.782) 7.993 12.907 ( 0.247 -0.228 -0.289) 0.443 12.993 ( 2.846 0.083 0.051) 2.848 13.115 ( -1.827 -2.249 -0.769) 2.998 13.349 ( -3.724 -7.074 -1.149) 8.077 13.755 ( 4.683 -8.347 -0.427) 9.580 13.997 ( -6.945 -13.248 -0.823) 14.981 14.157 ( 1.003 -6.305 2.906) 7.014 14.748 ( 5.147 -6.492 2.628) 8.691 15.117 ( -0.464 11.502 -0.293) 11.515 15.207 ( 1.509 6.333 0.587) 6.537 16.258 ( 12.621 -8.106 -2.120) 15.149 17.437 ( -6.883 16.772 -0.772) 18.146 18.049 ( 8.755 9.967 -1.368) 13.336 19.020 ( -2.730 -6.300 0.802) 6.913 19.634 ( -14.572 -11.691 -2.521) 18.851 20.122 ( -1.832 -0.951 0.960) 2.276 20.491 ( 0.275 -8.512 1.005) 8.576 21.402 ( -11.466 -10.810 0.140) 15.759 22.075 ( 4.667 0.626 0.392) 4.725 23.325 ( 13.118 20.083 -0.653) 23.996 23.970 ( -11.382 2.452 0.712) 11.665 24.643 ( 6.113 -1.428 1.196) 6.391 27.508 ( -1.917 3.319 0.045) 3.833 29.618 ( 6.182 6.653 -0.652) 9.106 30.139 ( -4.538 -3.316 -0.536) 5.646 30.978 ( 1.104 -0.974 0.316) 1.506 31.130 ( 3.813 -2.410 0.364) 4.526 110.010 ( -0.120 0.684 -0.027) 0.695 110.083 ( 2.446 1.188 -0.006) 2.719 110.265 ( -3.438 -3.091 0.018) 4.623 113.402 ( -0.072 -0.081 -0.002) 0.109 ======================= Grid point 16 (11/94) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.479 ( -25.638 44.407 1.427) 51.296 3.831 ( -5.482 9.495 0.312) 10.969 4.211 ( -0.180 0.312 0.663) 0.755 5.288 ( 6.266 -10.853 0.861) 12.562 5.898 ( 4.697 -8.135 0.143) 9.395 5.992 ( 2.461 -4.262 3.108) 5.821 6.262 ( 3.548 -6.146 0.477) 7.112 6.888 ( -3.225 5.586 -2.710) 6.996 7.063 ( -0.658 1.141 -1.227) 1.800 7.830 ( 5.399 -9.351 0.532) 10.811 8.030 ( 1.643 -2.845 -2.429) 4.086 8.147 ( 8.149 -14.114 0.827) 16.319 8.379 ( -0.889 1.540 2.358) 2.953 8.844 ( -9.478 16.417 -2.734) 19.153 9.013 ( -3.746 6.488 -1.036) 7.562 9.197 ( -5.852 10.136 -0.053) 11.705 9.729 ( 3.024 -5.237 0.444) 6.064 10.510 ( 5.352 -9.270 -1.285) 10.782 10.679 ( -3.084 5.341 -0.391) 6.180 11.045 ( -6.715 11.631 1.395) 13.503 11.421 ( 1.187 -2.055 0.645) 2.460 11.577 ( 0.214 -0.371 -0.630) 0.762 12.368 ( -2.952 5.112 0.973) 5.983 12.898 ( -0.325 0.563 -0.377) 0.751 13.023 ( 1.356 -2.349 1.279) 2.999 13.101 ( 0.726 -1.257 -2.402) 2.807 13.254 ( 0.632 -1.095 -0.028) 1.264 13.781 ( 6.847 -11.860 -1.074) 13.736 13.841 ( 3.355 -5.810 -0.564) 6.733 14.136 ( 3.682 -6.377 2.722) 7.851 14.766 ( 4.321 -7.484 3.040) 9.161 15.173 ( -5.057 8.759 -0.240) 10.117 15.252 ( -2.116 3.664 0.619) 4.276 16.330 ( 7.612 -13.184 -2.780) 15.476 17.469 ( -10.787 18.683 -0.729) 21.586 18.198 ( -2.852 4.940 -1.481) 5.894 18.988 ( 2.582 -4.471 0.919) 5.244 19.388 ( 1.237 -2.143 -1.855) 3.093 20.102 ( 0.446 -0.772 -0.281) 0.935 20.469 ( 3.720 -6.443 1.443) 7.578 21.237 ( 1.306 -2.262 0.120) 2.615 22.120 ( 0.574 -0.995 0.486) 1.247 23.633 ( -6.133 10.622 -0.433) 12.273 23.789 ( -2.801 4.852 0.627) 5.637 24.689 ( 2.221 -3.848 1.270) 4.621 27.508 ( -2.179 3.774 0.052) 4.358 29.714 ( -1.319 2.285 -0.673) 2.723 30.074 ( 0.276 -0.478 -0.434) 0.702 30.983 ( 1.143 -1.980 0.254) 2.300 31.152 ( 2.098 -3.634 0.307) 4.207 110.013 ( -0.336 0.581 -0.026) 0.672 110.124 ( 0.139 -0.240 -0.017) 0.278 110.206 ( 0.402 -0.697 0.028) 0.805 113.401 ( 0.014 -0.025 -0.002) 0.029 ======================= Grid point 25 (12/94) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 20.543 35.581 1.485) 41.113 3.395 ( 21.864 37.870 5.084) 44.023 4.813 ( 17.537 30.375 0.665) 35.080 4.948 ( 14.642 25.361 -3.310) 29.471 5.202 ( -7.774 -13.464 1.582) 15.628 5.676 ( 27.030 46.817 -0.935) 54.067 6.042 ( -4.024 -6.970 1.672) 8.220 7.052 ( -12.095 -20.950 -1.986) 24.272 7.060 ( -1.703 -2.949 -0.483) 3.440 7.432 ( 13.827 23.949 -1.633) 27.702 7.626 ( -14.461 -25.047 1.763) 28.975 7.693 ( 2.957 5.121 -0.175) 5.916 8.189 ( 4.671 8.091 0.443) 9.353 8.927 ( -1.970 -3.412 0.091) 3.941 9.314 ( -4.859 -8.416 -3.451) 10.312 9.747 ( 0.750 1.300 1.185) 1.912 9.934 ( -6.183 -10.709 0.979) 12.404 9.982 ( 3.340 5.785 -0.398) 6.692 10.697 ( 1.591 2.756 -0.908) 3.310 11.277 ( 1.116 1.934 -0.210) 2.243 11.492 ( -0.351 -0.608 0.352) 0.785 11.851 ( -5.005 -8.669 1.058) 10.066 12.697 ( 1.699 2.943 -0.981) 3.537 12.720 ( 1.102 1.908 0.860) 2.365 13.019 ( 0.295 0.511 0.083) 0.596 13.130 ( -0.688 -1.191 -2.766) 3.089 13.369 ( -5.387 -9.331 -1.252) 10.847 13.860 ( -4.437 -7.686 0.148) 8.876 14.130 ( -3.108 -5.383 2.863) 6.843 14.310 ( -4.593 -7.955 1.260) 9.272 14.691 ( -3.599 -6.233 -0.152) 7.199 15.071 ( 2.295 3.976 1.117) 4.725 15.073 ( 7.322 12.682 -0.535) 14.654 15.968 ( 0.693 1.200 0.357) 1.430 17.530 ( 2.983 5.167 -0.644) 6.001 17.762 ( 4.061 7.033 -1.840) 8.327 19.225 ( -6.278 -10.873 0.709) 12.575 19.843 ( 0.013 0.023 -3.476) 3.476 20.422 ( -9.079 -15.725 2.214) 18.293 20.617 ( -8.677 -15.029 1.584) 17.426 21.855 ( 4.683 8.111 -0.710) 9.392 21.883 ( -13.199 -22.862 0.411) 26.402 22.848 ( 14.665 25.401 -1.662) 29.378 24.183 ( 3.968 6.873 1.219) 8.029 24.416 ( 1.295 2.244 1.476) 2.982 27.533 ( 1.050 1.818 0.023) 2.100 29.365 ( 7.110 12.314 -0.828) 14.243 30.291 ( -3.377 -5.849 -1.378) 6.892 30.962 ( 1.537 2.662 0.301) 3.089 31.024 ( -0.757 -1.312 1.358) 2.034 110.011 ( 0.422 0.731 -0.076) 0.847 110.020 ( 0.787 1.363 0.034) 1.575 110.378 ( -2.706 -4.687 0.024) 5.413 113.405 ( -0.096 -0.167 -0.002) 0.193 ======================= Grid point 26 (13/94) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( 22.743 32.022 1.563) 39.308 4.061 ( 12.929 37.215 3.535) 39.555 4.842 ( -22.657 11.023 1.158) 25.222 4.961 ( -14.376 20.396 -0.182) 24.953 5.731 ( 12.340 -13.034 2.963) 18.191 6.113 ( 46.560 0.632 -0.760) 46.570 6.397 ( 2.814 3.707 0.102) 4.655 6.613 ( -14.766 -22.376 0.327) 26.811 6.736 ( 2.810 0.695 -1.054) 3.080 7.241 ( -7.108 -10.308 -2.237) 12.719 7.599 ( 8.378 5.610 -1.747) 10.233 8.328 ( 7.473 24.571 -0.478) 25.686 8.469 ( 14.788 30.556 0.814) 33.956 8.738 ( -9.378 -19.795 -0.014) 21.904 9.156 ( -1.339 -7.051 -2.417) 7.573 9.626 ( -10.475 1.204 0.325) 10.549 9.776 ( -5.710 -5.193 0.857) 7.766 10.174 ( 10.116 4.450 -1.794) 11.196 10.780 ( 1.651 5.979 -0.508) 6.224 11.257 ( -4.762 2.353 0.249) 5.318 11.494 ( 0.893 -1.045 0.302) 1.407 11.649 ( -7.460 -8.720 0.873) 11.509 12.621 ( -9.711 4.837 0.661) 10.869 12.828 ( 7.337 -2.411 0.361) 7.732 13.008 ( -2.659 3.177 -0.946) 4.250 13.125 ( -1.837 -3.302 -0.827) 3.868 13.234 ( 4.085 -10.377 -1.829) 11.301 13.665 ( -5.610 -11.022 0.442) 12.375 13.968 ( -5.981 -13.086 -0.211) 14.390 14.117 ( -5.264 -9.797 1.019) 11.169 14.585 ( 2.422 -8.592 5.043) 10.253 15.203 ( 3.021 8.989 1.100) 9.546 15.261 ( 2.203 8.875 0.278) 9.148 16.045 ( 6.496 -0.083 -3.631) 7.443 17.664 ( 0.554 15.196 -0.844) 15.230 17.999 ( 10.248 13.411 -2.427) 17.052 19.010 ( -5.799 -10.433 1.237) 12.000 19.721 ( -9.281 -12.239 -5.212) 16.220 20.177 ( -6.201 -2.955 3.433) 7.680 20.383 ( -1.630 -13.328 1.139) 13.476 21.470 ( -11.459 -15.848 0.395) 19.560 22.010 ( 5.101 4.632 -0.209) 6.893 23.326 ( 12.857 23.212 -0.918) 26.551 24.209 ( -9.312 7.143 1.542) 11.837 24.487 ( 7.999 -4.207 1.750) 9.206 27.569 ( -0.229 3.722 0.075) 3.730 29.590 ( 6.333 9.467 -1.056) 11.438 30.176 ( -3.977 -4.617 -1.068) 6.186 30.969 ( -1.509 -0.457 0.666) 1.711 31.031 ( 3.761 -2.925 0.635) 4.806 110.022 ( -0.120 1.098 -0.068) 1.106 110.056 ( 1.889 1.165 0.018) 2.220 110.285 ( -2.956 -4.042 0.027) 5.008 113.402 ( -0.078 -0.118 -0.003) 0.141 ======================= Grid point 27 (14/94) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.797 ( 19.583 27.452 1.847) 33.772 4.408 ( -19.289 -4.861 1.255) 19.932 4.535 ( -20.416 50.953 2.632) 54.954 5.011 ( 4.207 1.663 0.471) 4.548 5.709 ( 7.879 -5.346 2.428) 9.826 6.000 ( -14.431 -18.855 1.171) 23.772 6.161 ( -5.921 -18.362 1.627) 19.362 6.887 ( 15.233 7.296 -3.332) 17.215 7.094 ( 0.039 -0.267 -2.939) 2.952 7.328 ( 42.361 4.703 -1.117) 42.636 7.817 ( 6.680 5.714 0.576) 8.809 8.145 ( -21.424 -30.851 -0.859) 37.570 8.550 ( -6.181 12.334 2.076) 13.951 8.981 ( 11.343 21.558 -2.460) 24.484 9.180 ( 3.895 0.858 -0.582) 4.031 9.417 ( -17.100 2.093 -2.112) 17.357 9.665 ( -1.978 -0.742 0.781) 2.252 10.359 ( 7.095 0.535 -1.328) 7.238 10.826 ( -4.393 7.629 -0.319) 8.810 11.217 ( -2.820 4.936 0.737) 5.732 11.405 ( -5.061 -6.260 1.296) 8.154 11.554 ( 1.661 -1.510 -0.721) 2.358 12.520 ( -7.378 6.550 1.320) 9.954 12.904 ( 2.687 -0.030 -0.231) 2.697 12.980 ( -1.204 -2.115 0.462) 2.477 13.065 ( 0.463 -2.282 -1.978) 3.055 13.230 ( 1.322 -4.404 -0.527) 4.628 13.519 ( 4.234 -13.624 0.075) 14.267 13.746 ( -2.481 -10.707 -0.876) 11.025 13.997 ( 2.788 -10.676 1.151) 11.094 14.577 ( 5.636 -9.252 6.315) 12.540 15.311 ( -0.116 7.234 0.866) 7.286 15.334 ( -2.059 6.031 0.612) 6.402 16.138 ( 4.880 -2.765 -5.216) 7.660 17.810 ( -5.205 19.224 -1.014) 19.942 18.283 ( 3.896 12.716 -3.129) 13.662 18.875 ( 2.191 -7.749 1.742) 8.239 19.389 ( -9.031 -13.059 -3.566) 16.273 20.099 ( -1.837 -1.275 0.351) 2.263 20.309 ( 4.720 -9.317 2.354) 10.706 21.215 ( -3.932 -7.374 0.255) 8.361 22.104 ( 1.724 2.017 0.093) 2.656 23.731 ( 9.273 20.181 0.039) 22.210 24.038 ( -16.371 3.820 1.080) 16.846 24.563 ( 6.404 -6.646 2.019) 9.447 27.593 ( -1.953 4.688 0.111) 5.080 29.751 ( 2.243 6.749 -1.133) 7.202 30.076 ( -2.395 -3.265 -0.868) 4.141 30.943 ( 0.319 -2.124 0.496) 2.204 31.058 ( 3.463 -4.577 0.526) 5.764 110.028 ( -0.458 1.111 -0.062) 1.203 110.104 ( 2.151 0.900 -0.001) 2.332 110.205 ( -1.985 -2.908 0.038) 3.521 113.400 ( -0.019 -0.061 -0.004) 0.064 ======================= Grid point 37 (15/94) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.757 ( 17.850 30.917 1.874) 35.749 4.578 ( 9.243 16.009 1.544) 18.550 4.681 ( -6.564 -11.370 2.885) 13.442 5.362 ( -2.925 -5.066 4.641) 7.467 5.789 ( 1.508 2.613 1.099) 3.211 6.041 ( -6.691 -11.589 2.664) 13.644 6.175 ( 1.752 3.035 -0.594) 3.554 6.325 ( 7.241 12.541 -3.015) 14.792 7.049 ( 7.704 13.344 -2.062) 15.545 7.116 ( -1.446 -2.504 -4.494) 5.344 7.807 ( 8.076 13.989 0.531) 16.162 8.171 ( -20.731 -35.907 -0.519) 41.465 8.739 ( 7.316 12.672 1.873) 14.751 8.997 ( 12.629 21.875 -1.955) 25.334 9.022 ( -3.096 -5.363 -1.061) 6.283 9.613 ( 0.744 1.289 -1.400) 2.043 9.717 ( -2.741 -4.747 -0.170) 5.485 10.287 ( 3.376 5.848 -1.715) 6.967 10.913 ( 4.209 7.291 -0.088) 8.419 11.251 ( -1.096 -1.898 0.565) 2.263 11.453 ( -5.926 -10.265 1.046) 11.899 11.506 ( 0.800 1.385 -0.380) 1.644 12.683 ( -0.058 -0.101 0.847) 0.855 12.802 ( 0.891 1.544 0.958) 2.024 13.019 ( -3.894 -6.745 -0.861) 7.835 13.075 ( 1.129 1.956 -0.348) 2.285 13.121 ( 0.285 0.494 -1.554) 1.655 13.438 ( -6.327 -10.959 0.487) 12.664 13.727 ( -5.707 -9.885 -0.839) 11.444 13.887 ( -6.630 -11.484 -0.015) 13.261 14.473 ( -1.658 -2.872 7.599) 8.291 15.345 ( 3.107 5.382 1.280) 6.345 15.387 ( 2.169 3.757 0.774) 4.407 16.089 ( 1.878 3.252 -6.051) 7.121 17.965 ( 8.350 14.463 -0.897) 16.724 18.307 ( 8.716 15.096 -4.198) 17.929 18.810 ( -4.486 -7.771 2.226) 9.245 19.406 ( -10.639 -18.427 -4.482) 21.744 20.150 ( -0.875 -1.515 3.182) 3.631 20.172 ( -3.763 -6.518 0.480) 7.541 21.214 ( -5.353 -9.271 0.344) 10.711 22.100 ( 2.139 3.705 -0.254) 4.285 23.752 ( 11.418 19.776 0.128) 22.836 24.314 ( -0.289 -0.501 1.973) 2.056 24.363 ( -2.722 -4.715 1.790) 5.731 27.638 ( 1.609 2.787 0.139) 3.221 29.766 ( 4.725 8.185 -1.275) 9.537 30.082 ( -2.878 -4.984 -1.112) 5.861 30.941 ( -1.086 -1.881 0.703) 2.283 30.986 ( -0.897 -1.554 0.538) 1.874 110.042 ( 0.439 0.760 -0.111) 0.885 110.085 ( 1.062 1.840 0.045) 2.125 110.209 ( -2.096 -3.631 0.036) 4.192 113.400 ( -0.040 -0.069 -0.005) 0.080 ======================= Grid point 38 (16/94) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.308 ( -3.112 5.391 2.161) 6.589 4.315 ( -9.174 15.890 2.274) 18.488 4.746 ( 9.648 -16.710 1.727) 19.373 5.376 ( -10.806 18.716 3.725) 21.930 5.647 ( 4.197 -7.269 3.582) 9.126 5.792 ( 8.260 -14.308 1.918) 16.632 6.182 ( -23.672 41.001 -1.985) 47.385 6.885 ( 6.038 -10.458 -3.621) 12.607 7.100 ( -0.329 0.570 -3.786) 3.843 7.375 ( 7.750 -13.424 -0.334) 15.504 7.414 ( 11.477 -19.880 -2.381) 23.078 7.995 ( -4.472 7.746 1.905) 9.144 8.765 ( -5.160 8.937 1.673) 10.454 9.003 ( 7.273 -12.597 0.157) 14.546 9.374 ( -6.518 11.289 -2.066) 13.198 9.496 ( -5.127 8.881 -2.945) 10.669 9.686 ( 1.426 -2.470 -1.586) 3.263 10.355 ( 0.402 -0.696 -0.387) 0.892 11.019 ( -5.928 10.268 0.037) 11.857 11.240 ( 2.383 -4.128 0.247) 4.773 11.294 ( 1.633 -2.829 1.562) 3.620 11.530 ( 0.367 -0.636 -0.987) 1.230 12.664 ( -4.293 7.436 1.370) 8.695 12.842 ( 4.464 -7.732 1.057) 8.991 12.939 ( -0.447 0.774 -1.250) 1.537 13.083 ( -2.174 3.766 -0.783) 4.418 13.172 ( 1.607 -2.783 0.238) 3.222 13.294 ( 4.212 -7.296 -0.375) 8.433 13.623 ( 0.506 -0.876 -0.771) 1.272 13.760 ( 6.324 -10.953 -0.122) 12.648 14.449 ( 1.852 -3.208 7.845) 8.676 15.405 ( -1.443 2.499 1.162) 3.110 15.417 ( -1.168 2.023 0.998) 2.540 16.127 ( -0.262 0.454 -6.617) 6.638 18.154 ( -8.348 14.460 -1.257) 16.744 18.426 ( 1.403 -2.431 -3.583) 4.551 18.813 ( -2.785 4.824 0.933) 5.648 19.129 ( 7.039 -12.192 -3.109) 14.417 20.089 ( -0.453 0.784 0.676) 1.130 20.154 ( 3.295 -5.707 2.276) 6.971 21.121 ( 1.308 -2.266 0.258) 2.630 22.139 ( -0.633 1.097 -0.240) 1.289 24.084 ( -4.953 8.579 1.508) 10.021 24.111 ( -5.650 9.786 0.937) 11.339 24.381 ( 6.798 -11.774 2.029) 13.746 27.667 ( -1.268 2.197 0.170) 2.542 29.875 ( -3.073 5.323 -1.305) 6.283 30.006 ( 2.128 -3.685 -1.144) 4.407 30.920 ( -0.129 0.223 0.585) 0.639 30.969 ( 2.158 -3.738 0.599) 4.357 110.049 ( -0.467 0.809 -0.118) 0.942 110.118 ( -0.317 0.549 0.032) 0.635 110.157 ( 0.973 -1.686 0.054) 1.947 113.400 ( 0.013 -0.023 -0.005) 0.027 ======================= Grid point 133 (17/94) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 94 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( 0.000 -0.000 21.218) 21.218 0.444 ( 0.000 0.000 21.218) 21.218 1.187 ( 0.000 0.000 57.778) 57.778 3.712 ( 0.000 0.000 -2.371) 2.371 3.712 ( -0.000 0.000 -2.371) 2.371 3.715 ( -0.000 -0.000 -0.466) 0.466 6.099 ( 0.000 -0.000 -1.054) 1.054 6.099 ( 0.000 0.000 -1.054) 1.054 6.985 ( 0.000 0.000 -9.519) 9.519 7.956 ( 0.000 -0.000 -8.331) 8.331 7.956 ( 0.000 0.000 -8.331) 8.331 8.835 ( 0.000 0.000 0.343) 0.343 8.835 ( 0.000 0.000 0.343) 0.343 9.330 ( 0.000 0.000 4.917) 4.917 9.330 ( 0.000 -0.000 4.917) 4.917 9.745 ( 0.000 0.000 2.416) 2.416 10.339 ( -0.000 0.000 0.551) 0.551 10.724 ( 0.000 -0.000 1.414) 1.414 10.724 ( -0.000 0.000 1.414) 1.414 11.034 ( 0.000 -0.000 -8.622) 8.622 11.754 ( 0.000 -0.000 -3.615) 3.615 12.036 ( -0.000 -0.000 -1.112) 1.112 12.036 ( 0.000 0.000 -1.112) 1.112 12.644 ( 0.000 0.000 -0.006) 0.006 12.644 ( 0.000 0.000 -0.006) 0.006 13.087 ( 0.000 -0.000 -0.320) 0.320 13.087 ( -0.000 0.000 -0.320) 0.320 13.707 ( 0.000 -0.000 4.924) 4.924 13.707 ( 0.000 0.000 4.924) 4.924 14.037 ( 0.000 -0.000 3.228) 3.228 14.462 ( 0.000 -0.000 0.291) 0.291 14.483 ( 0.000 -0.000 -3.134) 3.134 14.483 ( 0.000 0.000 -3.134) 3.134 17.776 ( 0.000 -0.000 0.842) 0.842 17.776 ( 0.000 0.000 0.842) 0.842 17.781 ( 0.000 -0.000 2.504) 2.504 19.655 ( 0.000 -0.000 -0.310) 0.310 19.655 ( 0.000 0.000 -0.310) 0.310 19.985 ( 0.000 0.000 -0.884) 0.884 21.317 ( 0.000 -0.000 -1.051) 1.051 21.317 ( 0.000 0.000 -1.051) 1.051 21.996 ( 0.000 0.000 0.938) 0.938 23.541 ( 0.000 -0.000 0.477) 0.477 23.541 ( -0.000 -0.000 0.477) 0.477 23.833 ( 0.000 -0.000 3.367) 3.367 27.510 ( 0.000 -0.000 0.002) 0.002 27.510 ( 0.000 0.000 0.002) 0.002 28.491 ( 0.000 -0.000 -3.563) 3.563 30.793 ( 0.000 0.000 1.031) 1.031 32.599 ( 0.000 -0.000 -0.187) 0.187 109.964 ( 0.000 0.000 -0.242) 0.242 109.964 ( -0.000 -0.000 -0.242) 0.242 111.379 ( 0.000 0.000 -0.323) 0.323 113.425 ( 0.000 -0.000 -0.097) 0.097 ======================= Grid point 134 (18/94) ======================= q-point: ( 0.09 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 29.137 37.493 8.423) 48.225 1.231 ( 11.362 8.465 46.395) 48.511 1.896 ( 76.183 34.025 8.255) 83.844 3.724 ( 2.768 -1.404 -1.738) 3.557 4.016 ( 29.765 9.904 -0.898) 31.383 4.185 ( 33.411 26.888 -1.113) 42.901 5.997 ( -9.380 -4.007 -1.238) 10.275 6.107 ( 1.065 -0.328 -1.266) 1.687 6.838 ( -0.817 -0.654 -0.634) 1.224 7.886 ( -6.526 -2.551 -8.371) 10.917 7.958 ( 0.100 -1.656 -8.417) 8.580 8.835 ( -0.272 -0.752 0.531) 0.960 8.955 ( -7.469 -2.200 0.931) 7.842 9.138 ( -3.362 1.020 1.358) 3.767 9.279 ( -5.312 -8.035 2.061) 9.850 9.759 ( -3.051 -1.260 2.132) 3.929 10.104 ( -14.912 -6.805 1.922) 16.503 10.658 ( -2.236 -5.969 0.533) 6.397 10.760 ( -4.122 0.540 -0.023) 4.157 11.031 ( 1.740 1.436 -5.531) 5.974 11.517 ( -1.383 -2.049 4.535) 5.165 12.053 ( -0.059 0.989 -1.173) 1.535 12.235 ( 9.125 3.952 -0.925) 9.987 12.651 ( 0.537 0.446 0.129) 0.710 13.046 ( -2.307 -1.034 -0.473) 2.572 13.118 ( 8.160 2.212 -1.043) 8.518 13.697 ( -0.991 -0.302 2.750) 2.938 13.781 ( 5.060 3.636 3.842) 7.320 14.097 ( 30.796 18.483 -29.860) 46.708 14.132 ( 25.035 15.579 -20.286) 35.790 14.426 ( -3.224 0.200 -0.644) 3.294 14.510 ( 3.037 0.017 -2.362) 3.847 14.553 ( 10.793 4.400 -7.781) 14.014 16.745 ( -39.776 -19.458 29.233) 53.060 17.706 ( -5.796 -3.659 0.778) 6.898 17.926 ( -7.312 -4.440 -8.494) 12.055 19.678 ( 2.652 -0.414 -0.394) 2.713 19.834 ( -7.487 -4.154 0.705) 8.591 20.647 ( 39.848 25.197 -26.374) 54.022 21.228 ( -6.991 -3.370 -1.625) 7.929 21.359 ( 3.644 0.027 -2.628) 4.493 21.858 ( -7.841 -5.052 2.594) 9.681 23.214 ( -20.865 -11.409 0.144) 23.781 23.654 ( 9.093 4.233 0.815) 10.063 24.057 ( 11.527 7.538 3.702) 14.262 27.506 ( -0.213 -0.259 -0.002) 0.335 28.602 ( 10.027 5.653 -4.387) 12.318 28.687 ( 60.794 35.023 -59.526) 92.010 30.813 ( 1.717 1.025 1.080) 2.273 32.139 ( -28.443 -16.136 24.464) 40.839 109.969 ( 0.375 0.253 -0.232) 0.509 109.972 ( 0.568 0.276 -0.469) 0.787 110.976 ( -19.044 -10.987 18.670) 28.844 113.418 ( -0.328 -0.189 0.196) 0.426 ======================= Grid point 135 (19/94) ======================= q-point: ( 0.18 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 22.582 16.321 32.620) 42.900 1.923 ( 29.450 25.725 4.558) 39.368 3.497 ( 66.330 37.452 2.234) 76.206 3.800 ( 8.435 0.624 -1.858) 8.660 4.830 ( 44.729 20.724 -0.159) 49.297 5.186 ( 41.668 26.309 -0.051) 49.279 5.784 ( -4.834 0.020 -1.831) 5.170 6.126 ( 0.961 0.514 -1.919) 2.207 6.929 ( 7.490 3.390 -2.826) 8.694 7.684 ( -11.315 -6.751 -7.573) 15.197 7.904 ( -5.006 -3.679 -7.005) 9.363 8.451 ( -28.519 -15.467 1.735) 32.489 8.727 ( -15.190 -7.892 0.456) 17.124 9.037 ( -5.750 -3.721 -0.129) 6.850 9.335 ( 8.762 4.606 1.808) 10.062 9.635 ( -4.066 -4.147 0.801) 5.863 9.864 ( -7.169 -1.998 1.743) 7.644 10.507 ( -9.418 -7.086 -0.086) 11.787 10.676 ( -1.919 -0.269 2.399) 3.083 11.097 ( 2.519 1.230 -2.192) 3.558 11.539 ( 2.388 0.980 1.317) 2.898 12.015 ( -4.451 -1.513 -0.892) 4.785 12.453 ( 9.891 4.007 0.615) 10.689 12.673 ( 1.769 1.423 0.694) 2.374 12.971 ( -3.149 -2.071 0.244) 3.777 13.300 ( 8.233 1.752 -0.903) 8.466 13.603 ( -4.508 -4.453 2.148) 6.691 13.869 ( -0.014 2.654 2.918) 3.945 14.300 ( -2.768 3.339 -2.495) 5.004 14.400 ( 2.708 6.994 -3.876) 8.442 14.511 ( 9.133 1.319 -3.642) 9.921 14.598 ( 8.585 0.620 1.079) 8.675 15.033 ( 17.093 6.197 -21.710) 28.318 16.125 ( -19.564 -4.609 11.075) 22.949 17.530 ( -8.219 -5.469 0.262) 9.876 17.730 ( -6.834 -4.860 -8.686) 12.074 19.605 ( -9.663 -5.598 2.862) 11.528 19.761 ( 3.870 0.489 -0.270) 3.910 20.890 ( -14.090 -6.456 -0.233) 15.500 21.169 ( -10.144 -0.960 -1.816) 10.350 21.544 ( 17.539 6.548 -10.590) 21.509 21.872 ( 15.170 5.762 -3.102) 16.522 22.706 ( -23.361 -13.180 -0.447) 26.827 23.867 ( 8.761 5.200 1.620) 10.316 24.301 ( 9.052 6.410 4.152) 11.843 27.499 ( -0.367 -0.272 -0.020) 0.458 28.879 ( 14.116 7.732 -3.292) 16.428 29.666 ( 27.582 15.428 -45.595) 55.477 30.870 ( 3.162 1.945 1.152) 3.886 31.588 ( -19.530 -10.629 24.876) 33.365 109.980 ( 0.548 0.320 -0.256) 0.685 109.988 ( 0.919 0.499 -0.305) 1.089 110.672 ( -9.508 -5.472 11.521) 15.908 113.412 ( -0.227 -0.132 0.081) 0.274 ======================= Grid point 136 (20/94) ======================= q-point: ( 0.27 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 28.378 19.994 19.741) 39.935 2.558 ( 20.394 14.820 3.181) 25.410 4.026 ( 16.683 8.188 -1.199) 18.623 4.902 ( 55.264 31.202 -0.377) 63.465 5.285 ( -15.512 -7.275 -1.672) 17.215 5.820 ( 37.427 19.842 -1.033) 42.374 6.176 ( 8.822 4.955 -2.092) 10.332 6.547 ( 46.886 28.707 -0.267) 54.977 7.112 ( 8.774 3.458 -3.041) 9.909 7.417 ( -7.550 -10.633 -4.487) 13.791 7.576 ( -27.377 -8.708 -2.080) 28.804 7.846 ( -21.721 -14.356 -2.104) 26.121 8.326 ( -14.129 -6.605 -2.183) 15.749 9.010 ( -0.052 -0.333 0.252) 0.421 9.360 ( -3.957 -4.782 1.176) 6.318 9.565 ( -4.677 -2.696 2.120) 5.799 9.856 ( 3.741 2.474 0.411) 4.504 10.278 ( -7.443 -3.088 -0.373) 8.067 10.684 ( 2.404 0.553 3.597) 4.362 11.111 ( -1.355 -0.983 -0.508) 1.749 11.577 ( 0.690 0.258 0.002) 0.737 11.872 ( -8.829 -3.981 -0.636) 9.706 12.535 ( -1.925 -1.148 0.934) 2.428 12.805 ( 8.430 4.661 1.783) 9.796 12.926 ( 0.148 -1.079 0.011) 1.090 13.308 ( -5.694 -4.176 -0.325) 7.069 13.558 ( 2.150 -2.912 -0.024) 3.620 13.829 ( -4.120 0.035 1.476) 4.376 14.251 ( -4.104 2.890 -1.473) 5.231 14.394 ( -5.290 -2.061 -3.586) 6.714 14.705 ( 9.484 2.815 -0.748) 9.921 14.824 ( 9.782 4.546 0.369) 10.793 15.091 ( -5.696 -3.783 -0.033) 6.838 16.038 ( 6.145 6.955 -4.480) 10.305 17.365 ( -5.068 -4.214 0.328) 6.599 17.661 ( 2.412 0.273 -8.885) 9.210 19.374 ( -10.293 -5.599 3.781) 12.313 19.838 ( 3.680 -0.335 -1.507) 3.991 20.513 ( -18.536 -8.890 1.715) 20.629 20.883 ( -14.413 -6.652 -0.635) 15.887 21.775 ( 4.921 2.158 -1.516) 5.583 22.193 ( -18.468 -9.064 -1.959) 20.665 22.399 ( 26.342 11.762 -5.151) 29.305 24.010 ( 2.640 2.453 2.591) 4.439 24.500 ( 7.435 5.543 3.822) 10.030 27.489 ( -0.494 -0.282 -0.039) 0.570 29.199 ( 13.899 7.368 -2.644) 15.951 30.064 ( 9.769 4.891 -20.903) 23.585 30.951 ( 3.489 2.233 1.389) 4.369 31.260 ( -10.011 -4.984 12.601) 16.848 109.992 ( 0.459 0.239 -0.199) 0.554 110.016 ( 1.588 0.909 -0.091) 1.832 110.492 ( -6.828 -3.923 5.678) 9.709 113.407 ( -0.197 -0.115 0.010) 0.229 ======================= Grid point 137 (21/94) ======================= q-point: ( 0.36 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( 9.732 12.382 3.916) 16.228 2.994 ( 28.384 12.867 9.694) 32.638 4.523 ( 25.198 14.107 -0.545) 28.883 4.895 ( -18.145 -8.647 -0.833) 20.117 5.861 ( 16.467 10.348 -3.814) 19.819 6.131 ( 17.370 11.748 -3.159) 21.206 6.757 ( -5.415 -3.120 -1.243) 6.371 6.891 ( -24.728 -14.165 -1.274) 28.526 7.011 ( 26.194 12.464 -1.151) 29.031 7.273 ( -11.790 -7.045 -4.269) 14.382 7.563 ( 16.919 6.965 -0.088) 18.297 7.838 ( 37.083 22.935 1.703) 43.635 8.162 ( -3.150 -1.379 -3.926) 5.219 8.947 ( -5.644 -3.868 0.469) 6.858 9.134 ( -14.658 -8.924 -0.578) 17.170 9.450 ( -5.229 -4.415 3.505) 7.689 9.817 ( -5.418 -3.026 -0.646) 6.240 10.326 ( 8.508 5.508 0.035) 10.135 10.758 ( 4.615 1.136 3.297) 5.785 11.021 ( -7.117 -3.109 0.399) 7.777 11.574 ( -0.170 -0.375 0.050) 0.415 11.655 ( -10.370 -5.096 -0.613) 11.570 12.442 ( -5.570 -2.401 0.932) 6.137 12.905 ( 0.741 0.075 -0.183) 0.767 12.987 ( 4.257 1.977 1.858) 5.049 13.161 ( -4.678 -3.295 -0.418) 5.737 13.473 ( -6.327 -5.988 -0.237) 8.715 13.815 ( 1.686 0.590 -0.004) 1.786 14.166 ( -10.149 -6.654 -3.527) 12.638 14.242 ( -4.907 2.110 -0.191) 5.344 14.806 ( -1.322 1.103 -0.532) 1.802 14.945 ( 6.456 2.482 0.353) 6.926 15.098 ( 4.705 3.753 -0.915) 6.087 16.298 ( 12.706 6.394 -1.375) 14.291 17.270 ( -2.304 -2.669 0.271) 3.536 17.813 ( 10.889 4.971 -7.687) 14.226 19.165 ( -7.873 -3.880 3.713) 9.530 19.779 ( -9.351 -8.868 -3.706) 13.410 20.197 ( -7.997 -2.413 3.382) 9.011 20.623 ( -8.357 -3.889 -0.379) 9.225 21.608 ( -15.685 -9.154 0.279) 18.163 22.046 ( 2.440 2.334 -1.815) 3.834 22.962 ( 23.757 12.100 -2.458) 26.774 23.995 ( -4.728 -1.743 2.827) 5.778 24.659 ( 5.122 4.378 3.413) 7.553 27.477 ( -0.497 -0.246 -0.041) 0.556 29.478 ( 10.920 5.527 -1.509) 12.332 30.153 ( -0.200 -0.813 -4.823) 4.895 31.007 ( 0.732 0.766 2.521) 2.734 31.148 ( -0.812 0.102 0.914) 1.226 110.001 ( 0.320 0.155 -0.117) 0.374 110.060 ( 2.310 1.327 0.127) 2.667 110.352 ( -5.482 -3.145 2.743) 6.890 113.403 ( -0.140 -0.083 -0.022) 0.164 ======================= Grid point 138 (22/94) ======================= q-point: ( 0.45 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( 1.468 2.485 1.329) 3.177 3.636 ( 24.936 14.816 7.186) 29.882 4.371 ( -21.298 -11.370 0.445) 24.147 5.220 ( 25.942 15.909 -0.189) 30.432 5.922 ( -0.913 3.135 -6.430) 7.211 6.202 ( -25.515 -14.604 -0.430) 29.402 6.384 ( -11.322 -5.909 -0.758) 12.793 6.703 ( 14.230 6.270 -3.140) 15.864 7.041 ( -5.904 -5.345 -4.954) 9.379 7.794 ( 28.166 12.820 -1.890) 31.004 7.940 ( 11.133 9.779 1.419) 14.886 8.160 ( 5.634 3.488 -2.784) 7.188 8.548 ( 7.220 2.607 2.305) 8.015 8.702 ( -11.508 -7.844 0.839) 13.952 8.857 ( 3.266 2.328 0.262) 4.020 9.220 ( -13.922 -9.559 3.191) 17.187 9.754 ( -0.586 0.205 -2.577) 2.651 10.543 ( 9.838 4.746 0.541) 10.936 10.785 ( -4.535 -9.926 0.463) 10.922 10.871 ( -3.453 5.872 3.424) 7.625 11.462 ( -5.879 -2.469 -0.959) 6.448 11.584 ( 1.121 -0.205 0.691) 1.333 12.339 ( -3.404 -0.727 0.623) 3.536 12.896 ( -0.615 -0.842 -0.249) 1.072 13.031 ( 0.098 1.227 -0.618) 1.377 13.127 ( 2.043 -0.933 1.567) 2.739 13.303 ( -5.687 -3.954 0.153) 6.928 13.853 ( 2.118 -0.166 -1.692) 2.716 13.937 ( -5.899 -5.047 -2.558) 8.174 14.217 ( -2.652 3.544 -0.312) 4.437 14.804 ( -0.946 2.445 -2.875) 3.891 15.061 ( 3.282 1.241 1.226) 3.717 15.188 ( 1.761 1.865 -1.138) 2.806 16.514 ( 6.763 0.937 1.367) 6.963 17.229 ( -0.407 -1.164 -0.016) 1.233 18.043 ( 7.834 2.991 -6.012) 10.318 19.070 ( -0.647 0.505 3.508) 3.603 19.450 ( -11.597 -8.877 -3.224) 14.956 20.128 ( -1.251 -0.817 1.210) 1.923 20.544 ( -0.737 1.035 0.660) 1.432 21.313 ( -7.963 -4.458 0.543) 9.142 22.110 ( 1.296 1.639 -1.570) 2.613 23.416 ( 16.020 8.406 0.146) 18.092 23.828 ( -9.567 -4.827 1.981) 10.897 24.750 ( 1.407 2.391 3.274) 4.291 27.469 ( -0.232 -0.079 -0.031) 0.247 29.663 ( 5.301 2.234 -0.171) 5.755 30.102 ( -2.197 -1.793 0.385) 2.862 31.013 ( -0.028 0.293 1.233) 1.268 31.167 ( 0.735 0.820 -1.544) 1.896 110.005 ( 0.123 0.042 -0.072) 0.149 110.117 ( 2.334 1.332 0.474) 2.729 110.247 ( -3.420 -1.948 1.309) 4.148 113.401 ( -0.050 -0.032 -0.035) 0.069 ======================= Grid point 145 (23/94) ======================= q-point: ( 0.09 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 12.183 21.102 36.977) 44.284 1.934 ( 24.334 42.148 9.161) 49.523 2.979 ( 38.345 66.415 1.588) 76.706 4.004 ( 9.201 15.937 -4.048) 18.843 4.143 ( 12.709 22.013 -0.538) 25.424 5.062 ( 29.041 50.300 0.381) 58.082 5.863 ( -3.664 -6.346 -0.819) 7.373 6.109 ( 0.281 0.486 -1.879) 1.961 6.885 ( 3.253 5.634 -2.765) 7.069 7.718 ( -7.946 -13.763 -7.612) 17.622 7.962 ( 0.591 1.024 -8.332) 8.416 8.667 ( -10.798 -18.703 3.058) 21.812 8.810 ( -14.512 -25.135 0.462) 29.027 8.938 ( -1.274 -2.206 0.555) 2.607 9.362 ( 7.032 12.179 0.122) 14.064 9.639 ( -5.903 -10.225 1.288) 11.877 9.976 ( -2.544 -4.407 2.908) 5.861 10.449 ( -6.326 -10.956 0.429) 12.658 10.774 ( -1.935 -3.351 0.320) 3.882 11.084 ( 2.955 5.118 -2.777) 6.530 11.503 ( 0.345 0.598 2.020) 2.135 12.062 ( -0.798 -1.383 -0.678) 1.735 12.374 ( 5.636 9.762 -0.371) 11.278 12.669 ( 0.722 1.250 0.359) 1.488 13.054 ( -0.878 -1.521 0.735) 1.904 13.124 ( 1.048 1.815 -1.123) 2.378 13.659 ( -3.185 -5.517 0.666) 6.405 13.873 ( 3.811 6.601 4.069) 8.640 14.343 ( 6.905 11.960 -0.850) 13.836 14.376 ( -2.398 -4.154 0.335) 4.808 14.457 ( 4.000 6.928 -9.620) 12.512 14.546 ( 2.873 4.976 1.072) 5.845 14.871 ( 11.394 19.735 -29.287) 37.108 16.297 ( -11.931 -20.665 17.268) 29.454 17.601 ( -3.701 -6.411 0.660) 7.432 17.751 ( -6.321 -10.948 -9.368) 15.735 19.683 ( -5.619 -9.732 2.782) 11.577 19.705 ( 1.519 2.630 -1.268) 3.291 21.048 ( -7.370 -12.765 -0.497) 14.748 21.158 ( 5.414 9.377 -5.006) 11.929 21.392 ( 4.628 8.015 -9.633) 13.359 21.821 ( 4.621 8.004 -3.891) 10.027 22.841 ( -13.727 -23.777 -0.051) 27.455 23.825 ( 6.563 11.368 1.202) 13.182 24.245 ( 5.621 9.736 4.610) 12.150 27.503 ( -0.035 -0.061 -0.055) 0.089 28.793 ( 7.562 13.097 -3.421) 15.506 29.471 ( 19.751 34.210 -52.539) 65.733 30.852 ( 1.642 2.845 1.183) 3.492 31.718 ( -12.633 -21.882 26.906) 36.910 109.978 ( 0.411 0.713 -0.175) 0.841 109.981 ( 0.339 0.587 -0.452) 0.814 110.734 ( -6.365 -11.025 13.751) 18.739 113.413 ( -0.138 -0.239 0.110) 0.297 ======================= Grid point 146 (24/94) ======================= q-point: ( 0.18 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 21.432 25.204 24.136) 40.952 2.687 ( 12.874 45.533 6.481) 47.760 4.004 ( 2.937 28.677 -1.357) 28.859 4.464 ( 40.268 45.213 -1.235) 60.558 4.986 ( 54.668 8.648 -1.029) 55.358 5.438 ( -8.691 -7.283 -1.327) 11.417 6.114 ( 1.013 -0.476 -2.088) 2.369 6.363 ( 31.529 51.161 0.476) 60.097 7.036 ( 6.299 7.413 -3.798) 10.443 7.384 ( -9.801 -20.423 -6.422) 23.546 7.939 ( -12.581 4.072 -5.362) 14.269 8.078 ( -26.097 -22.067 -0.224) 34.177 8.309 ( -7.196 -30.409 0.264) 31.250 8.959 ( 3.319 -1.713 -0.298) 3.747 9.421 ( -6.899 -5.255 0.386) 8.681 9.613 ( 3.731 9.087 1.760) 9.980 9.912 ( -4.943 4.481 1.355) 6.808 10.253 ( -1.647 -14.625 1.742) 14.820 10.689 ( -2.593 -1.278 0.928) 3.036 11.174 ( -0.717 6.249 -0.937) 6.359 11.526 ( 2.585 -1.807 0.530) 3.198 11.978 ( -6.246 -3.320 -0.361) 7.083 12.563 ( 3.010 7.039 0.513) 7.672 12.714 ( 4.526 2.113 0.995) 5.093 12.976 ( -5.760 2.210 0.163) 6.172 13.210 ( 8.863 -7.460 -0.322) 11.589 13.515 ( -5.024 -6.740 -0.290) 8.412 13.929 ( -3.484 1.472 1.483) 4.063 14.282 ( -2.291 -4.783 0.843) 5.370 14.414 ( -1.609 -3.846 -3.407) 5.384 14.616 ( 6.761 7.456 -3.078) 10.525 14.781 ( 7.903 15.487 1.663) 17.467 15.078 ( 2.593 -1.274 -5.848) 6.522 16.023 ( -3.451 -5.595 0.448) 6.589 17.467 ( -7.129 0.058 -0.597) 7.154 17.614 ( 1.253 -4.761 -9.201) 10.435 19.470 ( -8.392 -8.271 3.830) 12.390 19.771 ( 3.393 0.636 -1.967) 3.974 20.719 ( -15.560 -11.382 0.768) 19.294 20.977 ( -9.577 -15.384 1.468) 18.181 21.671 ( 10.136 6.973 -2.927) 12.647 22.215 ( 16.203 24.590 -9.154) 30.838 22.346 ( -15.529 -21.118 -0.346) 26.215 24.033 ( 3.547 10.417 2.254) 11.232 24.420 ( 6.609 4.904 4.848) 9.551 27.504 ( -0.353 0.894 -0.078) 0.965 29.081 ( 10.660 12.087 -3.099) 16.412 29.955 ( 11.304 12.048 -29.228) 33.573 30.920 ( 2.810 2.962 1.278) 4.278 31.353 ( -10.030 -11.970 17.648) 23.565 109.991 ( 0.214 0.767 -0.247) 0.834 110.000 ( 1.164 0.778 -0.153) 1.408 110.549 ( -5.641 -6.502 7.324) 11.302 113.409 ( -0.159 -0.186 0.029) 0.246 ======================= Grid point 147 (25/94) ======================= q-point: ( 0.27 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( 25.622 25.190 14.743) 38.838 3.232 ( -4.866 48.566 4.258) 48.994 4.289 ( 11.338 18.661 -1.734) 21.904 5.110 ( -15.480 -9.534 -0.858) 18.200 5.630 ( 35.482 37.081 -1.542) 51.345 5.931 ( 29.154 -0.700 -2.040) 29.234 6.223 ( 32.870 1.088 -0.407) 32.890 6.931 ( -9.206 -11.272 -4.097) 15.119 7.057 ( -10.771 -17.081 -2.352) 20.330 7.361 ( -3.230 0.485 -3.066) 4.480 7.506 ( 4.334 14.867 -1.013) 15.519 7.739 ( 1.549 9.262 0.494) 9.403 8.140 ( 1.855 -1.299 -3.833) 4.452 8.970 ( -0.446 -4.529 0.196) 4.555 9.251 ( -6.685 -7.483 -1.528) 10.150 9.580 ( -11.916 3.791 2.802) 12.815 9.884 ( -5.274 -1.647 0.403) 5.540 10.195 ( 8.509 -3.205 1.890) 9.287 10.696 ( 2.564 1.374 1.283) 3.179 11.171 ( -6.178 5.753 0.312) 8.448 11.538 ( 1.523 -2.938 -0.143) 3.313 11.793 ( -10.058 -5.010 -0.226) 11.240 12.557 ( -7.003 3.246 1.292) 7.826 12.863 ( 6.881 0.761 1.449) 7.073 12.941 ( -0.124 2.322 -0.048) 2.326 13.200 ( -2.686 -5.477 -0.396) 6.113 13.412 ( 2.528 -9.847 -0.856) 10.202 13.824 ( -5.175 -3.599 0.226) 6.307 14.190 ( -2.520 -9.473 -1.166) 9.871 14.279 ( -5.511 -7.855 -2.138) 9.831 14.764 ( 4.159 -0.567 1.547) 4.473 14.985 ( 0.448 11.449 -0.248) 11.460 15.096 ( 2.557 6.070 0.291) 6.593 16.061 ( 11.217 -4.563 -3.392) 12.576 17.401 ( -5.545 8.758 -0.503) 10.378 17.704 ( 8.505 5.037 -8.511) 13.044 19.246 ( -8.190 -7.594 4.061) 11.885 19.786 ( -1.329 -5.598 -4.044) 7.033 20.351 ( -14.126 -7.119 3.089) 16.117 20.676 ( -7.562 -13.050 0.458) 15.090 21.752 ( -11.036 -7.465 -0.188) 13.325 21.980 ( 2.564 -6.604 -0.973) 7.151 22.785 ( 18.545 24.253 -5.358) 30.997 24.111 ( -4.968 7.145 3.214) 9.277 24.575 ( 7.663 1.671 4.335) 8.961 27.507 ( -1.134 2.191 -0.086) 2.469 29.370 ( 10.118 9.492 -2.330) 14.068 30.134 ( 2.695 1.887 -10.309) 10.821 30.991 ( 2.038 1.447 1.919) 3.151 31.151 ( -3.026 -5.802 5.642) 8.640 110.002 ( 0.105 0.747 -0.154) 0.770 110.035 ( 1.908 1.066 0.015) 2.185 110.404 ( -4.990 -4.800 3.672) 7.837 113.404 ( -0.139 -0.143 -0.013) 0.200 ======================= Grid point 148 (26/94) ======================= q-point: ( 0.36 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.358 ( 15.822 27.015 6.988) 32.078 3.498 ( -11.795 45.451 3.943) 47.122 4.599 ( -11.314 -7.159 0.195) 13.391 4.889 ( 17.690 8.382 -0.122) 19.576 5.909 ( 1.267 -5.660 -3.243) 6.645 6.365 ( -6.163 -6.469 -0.788) 8.969 6.516 ( -16.373 -17.169 -2.030) 23.811 6.591 ( 5.945 3.299 -2.972) 7.421 7.064 ( 8.958 -4.281 -3.550) 10.544 7.234 ( 32.521 2.694 -1.807) 32.683 7.748 ( 19.266 3.206 -1.128) 19.563 8.131 ( -2.529 10.504 -2.208) 11.028 8.472 ( 19.411 30.394 0.943) 36.076 8.773 ( -10.457 -17.714 0.852) 20.588 9.059 ( -11.624 3.257 -1.636) 12.182 9.389 ( -12.031 -0.615 2.663) 12.338 9.749 ( -3.356 -4.860 -1.507) 6.095 10.377 ( 11.538 0.282 2.308) 11.770 10.740 ( -0.794 0.284 0.625) 1.049 11.101 ( -8.297 7.867 1.323) 11.510 11.522 ( -2.654 -4.292 -0.089) 5.047 11.584 ( -4.917 -2.589 -0.238) 5.562 12.451 ( -7.810 3.206 1.490) 8.573 12.901 ( -0.329 -0.234 -0.344) 0.530 13.008 ( 3.510 0.049 1.475) 3.808 13.101 ( -1.933 -2.964 -0.639) 3.596 13.333 ( -2.504 -6.969 -0.379) 7.415 13.747 ( 3.390 -8.000 -0.535) 8.705 13.954 ( -7.079 -13.456 -3.322) 15.563 14.182 ( 1.580 -7.590 -0.542) 7.771 14.790 ( 2.763 -2.791 1.321) 4.144 15.113 ( -0.103 11.829 0.047) 11.830 15.207 ( 1.159 6.637 -0.582) 6.762 16.218 ( 14.076 -11.082 -1.847) 18.010 17.433 ( -6.655 17.086 0.264) 18.338 17.954 ( 9.969 9.496 -7.157) 15.517 19.071 ( -3.154 -5.844 3.793) 7.648 19.554 ( -12.227 -13.117 -4.772) 18.556 20.161 ( -4.650 -1.866 2.474) 5.588 20.514 ( 0.495 -6.668 1.160) 6.786 21.408 ( -11.413 -10.534 0.496) 15.539 22.067 ( 4.727 0.682 -1.169) 4.917 23.299 ( 15.000 20.795 -1.737) 25.699 24.008 ( -12.273 2.642 2.894) 12.883 24.699 ( 5.640 -0.554 4.069) 6.977 27.508 ( -1.889 3.299 -0.077) 3.803 29.600 ( 7.012 6.627 -1.094) 9.709 30.124 ( -2.335 -2.015 -0.993) 3.240 31.000 ( 0.246 -1.584 1.774) 2.391 31.126 ( 2.783 -2.348 -0.668) 3.702 110.009 ( -0.094 0.689 -0.089) 0.701 110.086 ( 2.601 1.263 0.268) 2.904 110.285 ( -4.003 -3.558 1.789) 5.647 113.401 ( -0.076 -0.087 -0.033) 0.120 ======================= Grid point 149 (27/94) ======================= q-point: ( 0.45 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.508 ( -26.139 45.274 1.279) 52.294 3.913 ( -5.460 9.457 7.539) 13.270 4.222 ( -0.451 0.780 0.409) 0.990 5.299 ( 6.033 -10.450 0.090) 12.067 5.898 ( 4.853 -8.406 -0.154) 9.708 5.980 ( 0.476 -0.824 -4.400) 4.501 6.266 ( 3.285 -5.690 -0.088) 6.571 6.812 ( -1.644 2.848 -4.413) 5.504 6.986 ( -0.107 0.185 -6.231) 6.235 7.813 ( 5.346 -9.260 -2.169) 10.910 7.997 ( 1.800 -3.117 -0.794) 3.686 8.162 ( 7.872 -13.634 0.499) 15.751 8.421 ( -1.101 1.907 1.684) 2.773 8.801 ( -8.452 14.640 -1.101) 16.940 9.027 ( -3.192 5.528 2.433) 6.831 9.208 ( -5.759 9.974 1.114) 11.571 9.702 ( 2.860 -4.953 -2.793) 6.365 10.526 ( 4.806 -8.324 2.597) 9.957 10.675 ( -3.085 5.343 0.083) 6.170 11.081 ( -6.165 10.677 1.994) 12.489 11.417 ( 1.055 -1.827 -1.006) 2.338 11.576 ( 0.414 -0.716 0.517) 0.976 12.394 ( -3.458 5.989 1.446) 7.065 12.890 ( -0.142 0.246 -0.448) 0.530 13.034 ( 0.547 -0.947 -1.009) 1.488 13.084 ( 1.805 -3.127 1.628) 3.960 13.254 ( 0.601 -1.041 0.038) 1.203 13.766 ( 6.226 -10.784 -0.481) 12.462 13.793 ( 3.677 -6.368 -4.105) 8.422 14.159 ( 4.375 -7.577 -0.535) 8.766 14.803 ( 1.774 -3.072 0.457) 3.576 15.175 ( -4.915 8.514 0.579) 9.848 15.250 ( -2.374 4.111 -0.716) 4.801 16.286 ( 9.591 -16.612 -1.413) 19.233 17.469 ( -10.907 18.891 0.676) 21.824 18.114 ( -2.286 3.959 -6.201) 7.704 19.040 ( 2.391 -4.142 3.778) 6.095 19.317 ( 2.259 -3.913 -4.685) 6.509 20.110 ( 0.333 -0.576 0.950) 1.160 20.506 ( 2.838 -4.916 1.945) 6.001 21.245 ( 1.265 -2.191 0.630) 2.608 22.113 ( 0.556 -0.963 -1.177) 1.619 23.631 ( -6.012 10.413 0.256) 12.027 23.816 ( -3.128 5.418 1.914) 6.542 24.745 ( 1.705 -2.954 4.034) 5.283 27.508 ( -2.165 3.750 -0.070) 4.331 29.704 ( -1.075 1.862 -0.226) 2.162 30.078 ( 0.350 -0.607 0.725) 1.008 30.994 ( 1.165 -2.017 0.908) 2.500 31.143 ( 1.798 -3.114 -1.142) 3.772 110.012 ( -0.332 0.575 -0.066) 0.667 110.130 ( 0.162 -0.280 0.572) 0.657 110.218 ( 0.422 -0.731 1.011) 1.317 113.400 ( 0.016 -0.027 -0.038) 0.049 ======================= Grid point 158 (28/94) ======================= q-point: ( 0.18 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 18.118 31.382 15.737) 39.506 3.506 ( 20.894 36.190 5.387) 42.134 4.826 ( 17.490 30.294 0.513) 34.984 4.877 ( 15.271 26.450 -3.349) 30.725 5.205 ( -7.076 -12.257 -1.406) 14.222 5.659 ( 26.801 46.421 -0.575) 53.605 6.049 ( -3.255 -5.639 -1.051) 6.595 6.970 ( -11.516 -19.946 -5.674) 23.720 7.030 ( -1.524 -2.639 -2.610) 4.012 7.385 ( 11.024 19.095 -2.713) 22.215 7.651 ( -15.986 -27.688 0.449) 31.975 7.689 ( 4.389 7.603 -0.296) 8.784 8.142 ( 6.088 10.545 -4.598) 13.015 8.927 ( -1.497 -2.593 -0.225) 3.003 9.260 ( -5.781 -10.013 -1.347) 11.640 9.766 ( 0.208 0.360 0.522) 0.667 9.987 ( -5.525 -9.570 3.809) 11.689 10.000 ( 3.028 5.244 2.086) 6.405 10.687 ( 1.490 2.581 -0.003) 2.980 11.272 ( 1.324 2.293 -0.269) 2.661 11.497 ( -0.420 -0.728 0.172) 0.858 11.860 ( -4.937 -8.551 -0.155) 9.875 12.701 ( 2.257 3.910 1.350) 4.712 12.740 ( 1.264 2.189 1.084) 2.750 13.020 ( 0.034 0.059 -0.026) 0.073 13.103 ( -0.546 -0.946 0.162) 1.104 13.348 ( -5.348 -9.263 -0.785) 10.725 13.862 ( -4.515 -7.821 -0.132) 9.032 14.153 ( -4.865 -8.427 -0.665) 9.753 14.291 ( -4.969 -8.606 -2.939) 10.363 14.712 ( 0.198 0.342 2.142) 2.178 15.077 ( 7.296 12.638 0.826) 14.616 15.080 ( 2.540 4.400 -0.007) 5.081 15.932 ( -1.247 -2.159 -4.001) 4.714 17.535 ( 3.103 5.374 1.113) 6.304 17.622 ( 4.308 7.461 -10.680) 13.722 19.282 ( -6.101 -10.567 4.324) 12.946 19.762 ( -1.638 -2.838 -4.127) 5.269 20.463 ( -7.639 -13.232 1.749) 15.378 20.655 ( -9.074 -15.717 1.964) 18.255 21.833 ( 4.969 8.606 -1.321) 10.025 21.890 ( -13.026 -22.561 0.289) 26.053 22.756 ( 16.004 27.720 -6.783) 32.719 24.225 ( 4.378 7.582 2.813) 9.196 24.487 ( 1.348 2.335 5.181) 5.841 27.532 ( 1.048 1.815 -0.144) 2.100 29.329 ( 7.234 12.529 -2.562) 14.693 30.116 ( 2.524 4.372 -13.082) 14.023 30.978 ( 1.542 2.671 1.253) 3.329 31.146 ( -4.921 -8.524 8.437) 12.964 110.008 ( 0.454 0.787 -0.193) 0.929 110.021 ( 0.824 1.428 -0.001) 1.649 110.423 ( -3.571 -6.185 4.073) 8.222 113.405 ( -0.106 -0.184 -0.009) 0.213 ======================= Grid point 159 (29/94) ======================= q-point: ( 0.27 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.246 ( 20.999 29.606 9.505) 37.521 4.142 ( 12.521 35.357 4.129) 37.735 4.834 ( -25.008 24.684 -1.708) 35.180 4.961 ( -12.602 9.810 -0.047) 15.970 5.754 ( 14.546 -11.169 -0.819) 18.357 6.099 ( 44.443 0.682 -0.479) 44.451 6.391 ( 4.371 4.411 -0.723) 6.252 6.584 ( -12.849 -19.385 -3.220) 23.479 6.701 ( 0.979 -2.325 -2.149) 3.314 7.181 ( -9.800 -13.855 -3.415) 17.311 7.537 ( 9.877 5.832 -4.217) 12.221 8.289 ( 9.007 25.016 -2.892) 26.745 8.490 ( 13.955 30.935 1.035) 33.953 8.751 ( -9.620 -19.662 1.289) 21.927 9.094 ( 0.294 -6.717 -3.078) 7.395 9.625 ( -10.592 -2.445 -0.920) 10.910 9.812 ( -8.410 -2.385 2.914) 9.215 10.194 ( 10.827 3.262 3.456) 11.824 10.773 ( 1.898 6.137 -0.151) 6.426 11.261 ( -4.095 2.093 0.111) 4.601 11.496 ( 0.983 -1.032 -0.076) 1.427 11.657 ( -8.030 -8.610 -0.093) 11.774 12.647 ( -9.132 5.189 1.856) 10.666 12.846 ( 6.824 -2.120 1.373) 7.277 12.997 ( -2.545 3.341 -0.055) 4.200 13.114 ( -1.743 -3.463 -0.378) 3.895 13.212 ( 4.171 -9.674 -0.337) 10.540 13.673 ( -5.471 -10.553 0.171) 11.888 13.932 ( -7.402 -14.702 -3.121) 16.754 14.098 ( -3.787 -11.387 -2.779) 12.318 14.690 ( 2.071 -4.940 4.920) 7.273 15.210 ( 2.636 9.578 -0.187) 9.936 15.264 ( 2.095 8.874 -0.062) 9.118 15.961 ( 6.418 -2.842 -4.436) 8.303 17.667 ( 0.049 16.179 0.831) 16.201 17.880 ( 11.535 12.945 -8.189) 19.175 19.070 ( -5.912 -10.178 4.181) 12.491 19.598 ( -8.641 -13.477 -6.352) 17.223 20.251 ( -7.840 -2.955 3.519) 9.087 20.415 ( -0.966 -12.512 1.837) 12.683 21.480 ( -11.543 -15.581 0.589) 19.401 21.995 ( 5.448 4.301 -1.289) 7.060 23.282 ( 14.510 25.126 -3.173) 29.188 24.261 ( -9.558 7.410 3.366) 12.553 24.554 ( 7.710 -4.009 4.572) 9.819 27.568 ( -0.203 3.702 -0.185) 3.712 29.561 ( 6.799 9.755 -1.620) 12.000 30.137 ( -1.217 -1.474 -2.576) 3.208 30.996 ( -1.976 -1.354 1.818) 3.008 31.047 ( 2.084 -4.043 0.916) 4.640 110.020 ( -0.070 1.108 -0.092) 1.114 110.058 ( 1.947 1.256 0.141) 2.321 110.309 ( -3.480 -4.737 2.122) 6.249 113.402 ( -0.083 -0.126 -0.030) 0.154 ======================= Grid point 160 (30/94) ======================= q-point: ( 0.36 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.873 ( 18.982 26.246 5.363) 32.832 4.433 ( -20.412 -2.928 1.186) 20.655 4.594 ( -21.815 51.276 3.035) 55.806 5.014 ( 6.261 2.700 -0.199) 6.822 5.727 ( 6.067 -6.368 -0.537) 8.812 6.005 ( -12.523 -17.938 -0.878) 21.894 6.179 ( -6.954 -17.741 0.005) 19.055 6.783 ( 12.594 4.753 -6.308) 14.865 6.997 ( -0.303 -1.417 -6.331) 6.495 7.322 ( 45.333 5.328 0.454) 45.647 7.790 ( 7.708 6.200 -3.210) 10.400 8.148 ( -21.898 -30.146 1.105) 37.276 8.571 ( -4.404 12.486 -0.033) 13.240 8.954 ( 9.750 19.704 -0.110) 21.985 9.155 ( 4.784 1.975 -1.230) 5.320 9.398 ( -15.017 0.133 -0.260) 15.019 9.671 ( -4.569 0.161 0.225) 4.577 10.382 ( 7.397 0.513 3.361) 8.141 10.826 ( -4.348 8.120 0.304) 9.216 11.229 ( -1.812 4.286 0.344) 4.666 11.411 ( -5.867 -6.486 -0.748) 8.778 11.549 ( 1.724 -1.517 0.259) 2.311 12.556 ( -7.284 6.905 2.102) 10.254 12.899 ( 0.681 0.150 -0.175) 0.719 13.002 ( 1.421 -2.047 1.723) 3.030 13.032 ( -0.789 -2.475 -1.228) 2.873 13.226 ( 2.004 -3.578 0.200) 4.105 13.528 ( 3.639 -12.771 0.644) 13.295 13.692 ( -2.667 -11.409 -4.364) 12.503 13.981 ( 3.915 -12.665 -2.711) 13.531 14.691 ( 4.040 -6.423 4.475) 8.809 15.317 ( -0.468 7.600 -0.121) 7.615 15.338 ( -2.004 6.238 -0.282) 6.558 16.037 ( 5.803 -5.144 -4.320) 8.877 17.815 ( -5.370 19.699 1.435) 20.468 18.178 ( 4.962 12.497 -6.503) 14.936 18.930 ( 1.741 -8.277 3.278) 9.071 19.283 ( -7.575 -13.988 -6.188) 17.069 20.124 ( -3.618 -1.350 1.983) 4.341 20.369 ( 4.859 -7.880 3.164) 9.783 21.225 ( -4.039 -7.378 0.638) 8.435 22.090 ( 2.065 1.487 -1.453) 2.931 23.730 ( 10.346 21.896 -0.151) 24.218 24.076 ( -17.520 3.655 2.540) 18.076 24.630 ( 6.362 -6.499 4.286) 10.054 27.592 ( -1.925 4.655 -0.198) 5.041 29.734 ( 2.694 6.950 -0.459) 7.467 30.076 ( -1.954 -2.931 0.835) 3.620 30.954 ( 0.209 -2.542 0.535) 2.606 31.060 ( 2.985 -4.200 -0.281) 5.160 110.027 ( -0.444 1.118 -0.041) 1.204 110.108 ( 2.288 0.968 0.399) 2.516 110.217 ( -2.232 -3.201 1.077) 4.048 113.400 ( -0.020 -0.065 -0.039) 0.078 ======================= Grid point 166 (31/94) ======================= q-point: (-0.09 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -11.741 20.335 36.642) 43.520 1.691 ( -24.818 42.985 0.430) 49.637 3.056 ( -36.199 62.698 4.263) 72.523 4.113 ( -10.229 17.718 0.210) 20.460 4.164 ( -13.464 23.321 0.340) 26.931 5.035 ( -30.668 53.118 -0.764) 61.340 5.819 ( 5.243 -9.081 -2.565) 10.795 6.118 ( 0.042 -0.073 -1.572) 1.575 6.899 ( -3.851 6.670 -2.188) 8.006 7.714 ( 7.224 -12.512 -7.782) 16.411 7.984 ( -0.537 0.931 -7.625) 7.701 8.631 ( 12.492 -21.637 2.200) 25.080 8.812 ( 13.457 -23.308 0.640) 26.921 8.939 ( 0.679 -1.177 0.375) 1.409 9.383 ( -5.970 10.340 0.905) 11.974 9.651 ( 4.658 -8.067 1.518) 9.438 9.935 ( 3.053 -5.288 1.517) 6.291 10.490 ( 6.953 -12.043 1.954) 14.042 10.761 ( 1.417 -2.454 -0.247) 2.845 11.085 ( -3.293 5.704 -2.687) 7.113 11.516 ( -0.032 0.056 2.372) 2.373 12.040 ( 1.113 -1.927 -1.453) 2.657 12.409 ( -6.352 11.003 1.138) 12.756 12.662 ( -0.459 0.796 0.152) 0.931 13.027 ( 0.732 -1.267 -0.351) 1.505 13.206 ( -1.824 3.160 1.690) 4.021 13.712 ( 2.912 -5.043 2.753) 6.442 13.809 ( -3.561 6.168 1.767) 7.339 14.245 ( -4.679 8.104 -3.422) 9.964 14.306 ( 3.468 -6.008 -3.128) 7.610 14.512 ( -4.637 8.032 -8.078) 12.299 14.618 ( -4.858 8.415 2.569) 10.051 14.932 ( -13.592 23.542 -29.986) 40.474 16.178 ( 15.090 -26.136 17.315) 34.794 17.610 ( 3.496 -6.055 0.956) 7.057 17.768 ( 5.610 -9.717 -8.806) 14.263 19.680 ( 5.698 -9.869 2.947) 11.771 19.743 ( -2.073 3.591 0.117) 4.148 21.027 ( -3.060 5.300 -8.235) 10.260 21.035 ( 7.655 -13.258 -0.968) 15.340 21.492 ( -5.507 9.538 -9.821) 14.756 21.865 ( -6.462 11.193 -0.034) 12.925 22.834 ( 13.750 -23.815 -0.372) 27.502 23.829 ( -6.069 10.512 1.116) 12.190 24.222 ( -5.153 8.926 3.812) 10.989 27.504 ( 0.049 -0.085 0.000) 0.098 28.800 ( -7.805 13.518 -3.173) 15.928 29.479 ( -20.069 34.761 -52.929) 66.427 30.850 ( -1.568 2.715 1.122) 3.330 31.707 ( 12.963 -22.452 27.177) 37.559 109.978 ( -0.403 0.698 -0.200) 0.830 109.982 ( -0.360 0.624 -0.423) 0.836 110.734 ( 6.373 -11.038 13.752) 18.750 113.413 ( 0.138 -0.238 0.111) 0.297 ======================= Grid point 170 (32/94) ======================= q-point: ( 0.27 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.834 ( 16.846 29.178 5.397) 34.121 4.616 ( 8.379 14.513 2.063) 16.885 4.716 ( -6.274 -10.866 0.492) 12.557 5.430 ( -1.915 -3.318 1.576) 4.142 5.807 ( 2.258 3.912 0.575) 4.553 6.086 ( -3.841 -6.653 2.055) 7.952 6.150 ( 0.631 1.093 -1.756) 2.163 6.263 ( 4.854 8.408 -3.330) 10.263 6.980 ( 7.255 12.566 -4.515) 15.196 7.005 ( -1.914 -3.315 -5.943) 7.069 7.774 ( 8.971 15.538 -3.708) 18.320 8.182 ( -20.835 -36.087 1.577) 41.699 8.744 ( 8.798 15.238 -1.246) 17.639 8.979 ( -2.324 -4.025 -2.744) 5.397 8.990 ( 11.255 19.495 1.172) 22.541 9.563 ( -0.194 -0.336 -3.090) 3.114 9.761 ( -3.302 -5.719 4.076) 7.760 10.302 ( 3.752 6.499 2.948) 8.063 10.915 ( 4.533 7.852 0.229) 9.070 11.254 ( -1.007 -1.744 -0.321) 2.039 11.464 ( -5.957 -10.318 0.121) 11.914 11.498 ( 0.411 0.712 -0.397) 0.913 12.715 ( 0.113 0.196 2.289) 2.301 12.824 ( 0.924 1.601 1.184) 2.196 13.005 ( -3.979 -6.892 -0.479) 7.973 13.067 ( 1.272 2.204 -0.528) 2.599 13.116 ( 0.690 1.195 0.933) 1.666 13.455 ( -6.163 -10.674 1.066) 12.371 13.672 ( -6.001 -10.394 -4.554) 12.837 13.849 ( -6.864 -11.888 -3.648) 14.204 14.614 ( -1.434 -2.483 5.729) 6.406 15.356 ( 3.052 5.285 -0.219) 6.107 15.392 ( 2.235 3.871 -0.256) 4.478 15.969 ( 1.368 2.369 -5.222) 5.896 17.978 ( 8.373 14.502 2.140) 16.882 18.187 ( 9.286 16.085 -6.996) 19.847 18.866 ( -5.240 -9.076 3.091) 10.927 19.281 ( -10.180 -17.632 -7.187) 21.591 20.202 ( -3.477 -6.023 2.236) 7.305 20.230 ( -1.271 -2.201 4.184) 4.895 21.225 ( -5.428 -9.402 0.664) 10.877 22.079 ( 2.019 3.496 -1.749) 4.400 23.750 ( 12.652 21.915 -0.411) 25.308 24.366 ( -0.502 -0.869 2.905) 3.073 24.429 ( -2.912 -5.044 4.359) 7.274 27.636 ( 1.606 2.782 -0.272) 3.224 29.747 ( 5.057 8.758 -0.578) 10.130 30.079 ( -2.475 -4.287 0.824) 5.018 30.947 ( -1.296 -2.245 -0.066) 2.593 30.998 ( -1.020 -1.766 0.615) 2.130 110.041 ( 0.454 0.786 -0.021) 0.907 110.088 ( 1.120 1.940 0.293) 2.259 110.221 ( -2.321 -4.021 1.147) 4.782 113.400 ( -0.042 -0.073 -0.039) 0.093 ======================= Grid point 171 (33/94) ======================= q-point: ( 0.36 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.333 ( -3.204 5.550 0.250) 6.413 4.386 ( -8.634 14.955 4.526) 17.852 4.779 ( 8.937 -15.480 1.471) 17.935 5.445 ( -10.009 17.337 2.557) 20.182 5.692 ( 4.574 -7.923 0.682) 9.174 5.825 ( 7.530 -13.043 1.163) 15.105 6.135 ( -23.664 40.987 -2.395) 47.388 6.767 ( 4.645 -8.046 -7.456) 11.912 7.001 ( -0.990 1.715 -5.612) 5.951 7.385 ( 9.255 -16.031 1.106) 18.544 7.392 ( 11.849 -20.522 0.344) 23.700 7.976 ( -4.590 7.950 -3.790) 9.932 8.775 ( -4.467 7.737 -0.684) 8.960 8.979 ( 6.601 -11.433 -2.122) 13.371 9.378 ( -6.931 12.005 2.349) 14.059 9.450 ( -5.406 9.364 -1.912) 10.980 9.676 ( 2.610 -4.521 1.185) 5.353 10.381 ( 0.282 -0.489 2.673) 2.732 11.029 ( -6.183 10.710 0.945) 12.403 11.254 ( 2.195 -3.801 1.010) 4.504 11.295 ( 1.652 -2.862 -1.546) 3.648 11.514 ( 0.825 -1.428 -0.519) 1.729 12.699 ( -4.114 7.125 2.117) 8.496 12.868 ( 4.281 -7.414 1.506) 8.693 12.919 ( -0.344 0.595 -0.604) 0.915 13.076 ( -2.710 4.694 0.002) 5.420 13.177 ( 1.652 -2.862 0.287) 3.317 13.311 ( 4.108 -7.115 1.885) 8.430 13.564 ( 0.324 -0.561 -4.996) 5.038 13.717 ( 6.814 -11.803 -3.953) 14.190 14.590 ( 1.653 -2.864 5.590) 6.495 15.413 ( -1.467 2.541 -0.393) 2.961 15.425 ( -1.188 2.057 -0.254) 2.389 16.000 ( 0.015 -0.026 -5.283) 5.283 18.162 ( -8.185 14.177 2.019) 16.495 18.363 ( -1.427 2.472 -2.802) 4.000 18.805 ( 0.726 -1.257 -1.084) 1.812 19.022 ( 6.518 -11.289 -6.761) 14.684 20.128 ( -1.154 1.998 2.861) 3.675 20.221 ( 3.647 -6.318 3.920) 8.281 21.130 ( 1.322 -2.290 0.576) 2.706 22.115 ( -0.471 0.816 -1.963) 2.177 24.132 ( -20.183 1.753 1.966) 20.354 24.132 ( 8.631 18.257 2.073) 20.300 24.441 ( 7.353 -12.735 3.585) 15.136 27.665 ( -1.260 2.182 -0.306) 2.538 29.865 ( -3.285 5.689 0.287) 6.575 30.006 ( 2.281 -3.951 1.118) 4.698 30.926 ( -0.106 0.184 0.060) 0.221 30.976 ( 2.090 -3.620 0.097) 4.181 110.048 ( -0.465 0.805 0.018) 0.929 110.124 ( -0.344 0.597 0.476) 0.837 110.165 ( 1.037 -1.796 0.691) 2.186 113.399 ( 0.014 -0.024 -0.042) 0.050 ======================= Grid point 177 (34/94) ======================= q-point: (-0.18 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( -21.538 24.916 22.703) 40.001 2.515 ( -20.364 41.297 0.224) 46.046 4.040 ( -5.850 30.525 0.306) 31.082 4.516 ( -32.763 45.018 0.664) 55.682 5.043 ( -51.842 9.536 0.955) 52.720 5.419 ( 7.844 -10.153 -2.331) 13.041 6.100 ( -0.148 -2.957 -2.661) 3.981 6.326 ( -33.623 53.777 -0.692) 63.427 7.073 ( -6.397 9.455 -2.378) 11.661 7.422 ( 8.214 -17.775 -5.311) 20.289 7.908 ( 20.437 -2.435 -4.425) 21.052 8.090 ( 18.039 -16.124 -1.416) 24.236 8.276 ( 8.584 -32.117 -0.784) 33.254 8.966 ( -3.116 -1.845 -0.078) 3.622 9.475 ( 6.241 -0.433 1.884) 6.533 9.624 ( -2.616 6.808 2.477) 7.702 9.872 ( 2.342 4.089 -0.415) 4.731 10.250 ( 4.070 -16.028 1.893) 16.645 10.702 ( 1.914 0.204 1.332) 2.340 11.181 ( 0.922 6.455 -0.600) 6.548 11.526 ( -2.464 -2.369 0.467) 3.450 11.951 ( 5.826 -4.219 -1.297) 7.309 12.592 ( 0.412 6.979 1.519) 7.154 12.709 ( -6.453 2.376 1.045) 6.956 12.983 ( 3.750 2.026 0.126) 4.264 13.271 ( -5.341 -5.280 2.060) 7.787 13.566 ( 4.910 -6.121 1.651) 8.019 13.892 ( 2.147 3.382 0.613) 4.053 14.174 ( 1.998 -7.656 -3.245) 8.552 14.351 ( -2.965 -3.631 -4.760) 6.680 14.672 ( -5.336 8.038 -2.412) 9.945 14.830 ( -5.280 14.385 2.793) 15.576 15.145 ( 2.976 -3.416 -3.236) 5.568 15.884 ( -3.195 -5.764 -4.215) 7.823 17.488 ( 6.555 0.662 0.614) 6.617 17.645 ( -0.442 -3.094 -8.544) 9.098 19.463 ( 8.430 -8.837 3.876) 12.814 19.824 ( -3.071 3.311 -0.068) 4.516 20.687 ( 16.174 -12.457 -0.302) 20.417 20.908 ( 5.548 -16.151 -1.383) 17.133 21.701 ( -7.896 6.953 -2.566) 10.830 22.267 ( -6.455 16.675 -5.029) 18.575 22.353 ( 7.418 -12.464 -1.332) 14.565 24.015 ( -3.103 9.104 1.486) 9.732 24.388 ( -7.168 3.557 3.691) 8.812 27.504 ( 0.413 0.860 -0.064) 0.956 29.096 ( -10.626 12.872 -2.563) 16.886 29.972 ( -11.222 12.964 -29.529) 34.146 30.916 ( -2.801 2.684 1.120) 4.038 31.333 ( 9.825 -12.858 17.872) 24.110 109.992 ( -0.219 0.842 -0.209) 0.895 110.000 ( -1.149 0.738 -0.172) 1.376 110.549 ( 5.635 -6.521 7.316) 11.305 113.409 ( 0.159 -0.184 0.030) 0.245 ======================= Grid point 189 (35/94) ======================= q-point: (-0.27 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( -24.897 25.210 12.625) 37.614 3.149 ( -3.377 43.984 1.442) 44.137 4.329 ( -8.167 20.860 -0.094) 22.402 5.065 ( 14.803 -11.675 -2.559) 19.025 5.631 ( -35.947 35.458 -1.464) 50.514 5.903 ( -19.039 -3.140 -3.461) 19.604 6.228 ( -39.227 1.630 -0.251) 39.262 6.979 ( 8.713 -7.564 -1.887) 11.692 7.081 ( 14.108 -20.724 -1.603) 25.122 7.368 ( 8.937 -2.237 -2.551) 9.560 7.524 ( -17.039 26.121 0.097) 31.187 7.727 ( 1.882 6.530 -0.269) 6.801 8.121 ( -2.216 -1.805 -4.600) 5.415 8.969 ( 0.337 -5.013 0.127) 5.026 9.320 ( 10.431 -5.455 0.147) 11.772 9.567 ( 9.082 3.615 2.656) 10.130 9.893 ( 6.321 -2.496 0.712) 6.833 10.170 ( -10.288 -1.338 1.318) 10.458 10.722 ( -2.240 2.094 2.249) 3.802 11.168 ( 7.058 5.285 0.145) 8.819 11.538 ( -1.925 -3.405 -0.193) 3.917 11.768 ( 9.280 -5.628 -1.096) 10.909 12.545 ( 7.702 2.338 0.779) 8.086 12.863 ( -6.119 0.708 1.486) 6.337 12.972 ( 0.114 2.870 0.834) 2.991 13.218 ( 4.552 -4.654 0.472) 6.527 13.480 ( -1.979 -9.073 1.539) 9.413 13.814 ( 4.609 -2.521 0.266) 5.260 14.110 ( -2.134 -7.416 -3.414) 8.439 14.260 ( 6.341 -9.744 -3.033) 12.015 14.750 ( 0.174 -7.338 0.268) 7.345 14.993 ( -0.420 9.039 -0.216) 9.052 15.074 ( -2.951 6.925 -0.467) 7.542 16.062 ( -14.944 0.323 -3.268) 15.301 17.431 ( 5.849 9.389 0.841) 11.094 17.738 ( -7.814 6.853 -7.704) 12.938 19.231 ( 8.173 -8.525 3.851) 12.422 19.876 ( 1.751 -0.485 -1.546) 2.386 20.289 ( 13.927 -10.439 1.518) 17.471 20.645 ( 6.017 -13.924 -0.760) 15.187 21.761 ( 12.501 -8.922 0.194) 15.359 21.964 ( -3.144 -5.142 -1.756) 6.278 22.832 ( -16.802 24.628 -3.348) 30.001 24.081 ( 4.276 5.705 2.107) 7.435 24.539 ( -8.304 0.022 2.997) 8.828 27.506 ( 1.156 2.123 -0.115) 2.420 29.390 ( -9.767 10.472 -1.602) 14.409 30.155 ( -2.112 2.788 -10.066) 10.657 30.983 ( -2.058 0.984 1.761) 2.881 31.131 ( 2.263 -6.453 5.343) 8.679 110.002 ( -0.075 0.803 -0.121) 0.816 110.035 ( -1.918 1.053 0.011) 2.188 110.403 ( 4.978 -4.822 3.658) 7.837 113.405 ( 0.140 -0.140 -0.011) 0.198 ======================= Grid point 190 (36/94) ======================= q-point: (-0.18 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( -18.090 31.333 14.247) 38.884 3.329 ( -22.293 38.612 -1.227) 44.602 4.805 ( -17.299 29.963 -0.151) 34.598 4.992 ( -14.045 24.327 0.972) 28.108 5.150 ( 8.034 -13.916 -3.432) 16.431 5.687 ( -26.246 45.460 -0.036) 52.492 5.989 ( 4.296 -7.441 -3.398) 9.239 7.041 ( 11.824 -20.479 -2.795) 23.812 7.052 ( 1.224 -2.121 -1.268) 2.758 7.439 ( -13.492 23.369 -0.928) 27.000 7.595 ( 13.663 -23.665 -1.298) 27.357 7.698 ( -3.570 6.183 0.328) 7.147 8.124 ( -4.776 8.272 -5.528) 11.036 8.925 ( 1.927 -3.337 -0.148) 3.856 9.365 ( 5.104 -8.840 1.203) 10.278 9.729 ( 1.403 -2.431 -0.573) 2.864 9.963 ( 6.020 -10.427 3.707) 12.597 10.010 ( -6.123 10.606 2.203) 12.443 10.718 ( -1.458 2.526 1.145) 3.133 11.280 ( -1.125 1.948 0.067) 2.250 11.484 ( 0.595 -1.030 -0.364) 1.244 11.825 ( 5.021 -8.696 -1.399) 10.139 12.708 ( -0.932 1.615 -0.232) 1.879 12.736 ( -1.364 2.362 2.775) 3.891 13.016 ( -0.443 0.767 -0.307) 0.937 13.200 ( 0.653 -1.131 3.870) 4.085 13.392 ( 5.657 -9.798 0.863) 11.347 13.859 ( 4.612 -7.988 -0.033) 9.224 14.059 ( 2.176 -3.769 -3.598) 5.647 14.252 ( 3.893 -6.743 -4.010) 8.758 14.708 ( 5.445 -9.431 0.987) 10.935 15.039 ( -1.074 1.861 -1.727) 2.757 15.093 ( -6.343 10.986 1.197) 12.742 15.920 ( -4.144 7.177 -4.382) 9.374 17.557 ( -3.247 5.623 1.895) 6.764 17.683 ( -4.799 8.311 -8.625) 12.903 19.263 ( 6.511 -11.278 4.028) 13.631 19.878 ( -0.648 1.122 -0.300) 1.330 20.391 ( 9.693 -16.788 -0.574) 19.394 20.599 ( 8.112 -14.050 -0.214) 16.225 21.855 ( -4.620 8.002 -0.761) 9.272 21.876 ( 13.143 -22.764 -0.243) 26.287 22.819 ( -15.355 26.595 -4.028) 30.973 24.182 ( -3.685 6.383 1.076) 7.449 24.436 ( -1.054 1.826 3.397) 3.998 27.531 ( -0.998 1.728 -0.177) 2.003 29.357 ( -7.558 13.091 -1.539) 15.195 30.148 ( -2.764 4.787 -12.898) 14.033 30.968 ( -1.399 2.424 0.916) 2.944 31.116 ( 5.024 -8.702 8.276) 13.018 110.010 ( -0.471 0.816 -0.112) 0.949 110.020 ( -0.819 1.419 -0.042) 1.639 110.423 ( 3.576 -6.194 4.054) 8.221 113.405 ( 0.105 -0.182 -0.007) 0.210 ======================= Grid point 201 (37/94) ======================= q-point: (-0.36 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.269 ( -10.935 30.304 3.624) 32.419 3.516 ( 3.052 39.277 4.730) 39.678 4.578 ( 13.725 -9.892 -0.718) 16.933 4.869 ( -19.767 9.429 -0.800) 21.915 5.822 ( -2.200 -9.712 -6.333) 11.801 6.369 ( 7.010 -7.845 -0.634) 10.540 6.495 ( 16.104 -19.367 -2.035) 25.270 6.615 ( -7.699 7.519 -2.332) 11.012 7.114 ( -11.397 -1.082 -1.810) 11.591 7.267 ( -28.957 3.507 -1.142) 29.191 7.784 ( -15.615 2.251 0.439) 15.782 8.102 ( 2.129 11.540 -3.058) 12.127 8.495 ( -21.151 31.977 1.809) 38.382 8.778 ( 10.739 -18.533 1.026) 21.445 9.062 ( 13.521 4.035 -1.591) 14.200 9.441 ( 11.958 1.688 4.556) 12.907 9.729 ( 2.987 -6.477 -2.430) 7.535 10.395 ( -11.906 2.699 2.932) 12.555 10.768 ( 0.359 -0.198 1.844) 1.889 11.070 ( 9.855 7.367 0.198) 12.306 11.496 ( 4.059 -6.280 -1.282) 7.586 11.596 ( 2.353 -1.112 0.408) 2.635 12.423 ( 7.736 1.848 0.401) 7.964 12.913 ( -0.083 0.070 0.291) 0.311 12.999 ( -0.888 -0.784 0.498) 1.285 13.130 ( 0.420 -1.125 0.703) 1.391 13.373 ( 5.328 -6.399 1.065) 8.394 13.764 ( -5.040 -8.103 0.364) 9.549 13.986 ( 7.330 -13.134 -1.764) 15.144 14.084 ( -2.076 -7.167 -3.801) 8.373 14.692 ( -4.820 -9.408 -2.863) 10.952 15.119 ( -0.799 10.156 -0.224) 10.190 15.188 ( -1.057 6.418 -1.062) 6.591 16.293 ( -13.398 -5.308 1.125) 14.455 17.459 ( 7.291 17.796 1.259) 19.273 17.997 ( -9.088 11.884 -5.973) 16.109 19.049 ( 2.789 -7.118 3.366) 8.354 19.632 ( 16.058 -10.396 -2.665) 19.314 20.135 ( 0.910 -1.373 2.083) 2.656 20.479 ( -0.616 -8.898 -0.094) 8.920 21.404 ( 11.270 -10.928 0.352) 15.702 22.054 ( -4.372 0.814 -1.639) 4.739 23.323 ( -13.893 20.619 -0.811) 24.876 23.984 ( 11.136 1.685 2.014) 11.441 24.657 ( -6.468 -2.482 2.512) 7.369 27.506 ( 1.862 3.202 -0.134) 3.706 29.622 ( -6.488 7.673 -0.275) 10.052 30.141 ( 3.017 -1.304 -0.462) 3.319 30.990 ( -0.629 -2.040 1.465) 2.589 31.114 ( -3.238 -2.754 -1.060) 4.381 110.010 ( 0.125 0.740 -0.056) 0.752 110.086 ( -2.614 1.268 0.271) 2.918 110.284 ( 3.996 -3.589 1.770) 5.656 113.401 ( 0.078 -0.083 -0.030) 0.118 ======================= Grid point 202 (38/94) ======================= q-point: (-0.27 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.192 ( -20.703 29.253 7.638) 36.643 4.017 ( -14.316 37.557 -0.617) 40.198 4.796 ( 18.953 -0.890 -3.020) 19.213 4.965 ( 16.656 29.544 0.034) 33.915 5.652 ( -9.002 -12.577 -4.458) 16.096 6.120 ( -45.439 1.868 -0.220) 45.478 6.388 ( -3.537 2.765 -0.828) 4.565 6.587 ( 14.411 -22.941 -1.834) 27.154 6.735 ( -3.150 0.111 -1.190) 3.369 7.254 ( 6.501 -7.359 -1.161) 9.887 7.599 ( -8.025 3.738 -1.782) 9.030 8.299 ( -4.331 22.588 -3.010) 23.196 8.471 ( -19.831 34.595 1.018) 39.889 8.751 ( 8.844 -18.942 1.181) 20.938 9.167 ( 3.825 -8.372 -1.246) 9.288 9.613 ( 5.506 -1.765 -1.421) 5.954 9.797 ( 8.610 -1.891 3.573) 9.511 10.249 ( -9.514 6.496 4.964) 12.544 10.792 ( -1.625 5.127 0.613) 5.413 11.253 ( 5.165 1.881 -0.203) 5.501 11.483 ( -0.319 -1.308 -0.757) 1.544 11.629 ( 6.192 -8.471 -0.907) 10.532 12.621 ( 10.589 4.925 0.711) 11.700 12.833 ( -7.490 -3.458 0.907) 8.299 13.024 ( 1.497 2.665 0.429) 3.087 13.144 ( 5.001 -3.307 0.936) 6.068 13.279 ( -5.250 -9.980 2.476) 11.546 13.659 ( 5.394 -11.203 -0.144) 12.434 13.944 ( 4.459 -11.664 -2.241) 12.687 14.067 ( 6.704 -8.963 -3.629) 11.767 14.506 ( -1.035 -13.072 -2.740) 13.396 15.167 ( -3.741 8.457 -2.344) 9.540 15.255 ( -1.745 8.105 -0.317) 8.297 16.092 ( -8.094 3.577 0.925) 8.897 17.697 ( -0.514 15.955 2.173) 16.111 17.955 ( -11.349 15.361 -6.245) 20.094 19.035 ( 6.249 -11.319 3.517) 13.399 19.758 ( 11.081 -12.510 -2.284) 16.867 20.151 ( 3.494 -2.879 1.484) 4.765 20.376 ( 2.208 -12.458 0.389) 12.658 21.467 ( 11.202 -15.850 0.120) 19.409 22.002 ( -4.450 4.672 -1.045) 6.537 23.315 ( -13.396 23.640 -1.799) 27.231 24.207 ( 8.599 6.406 1.355) 10.808 24.494 ( -7.394 -4.706 2.398) 9.087 27.566 ( 0.235 3.590 -0.280) 3.609 29.598 ( -6.722 10.364 -0.319) 12.357 30.171 ( 1.611 -1.105 -1.664) 2.566 30.976 ( 2.010 -2.180 1.340) 3.254 31.026 ( -2.640 -3.515 0.222) 4.402 110.023 ( 0.137 1.194 -0.011) 1.202 110.057 ( -2.013 1.201 0.115) 2.347 110.308 ( 3.481 -4.753 2.094) 6.252 113.402 ( 0.082 -0.123 -0.026) 0.150 ======================= Grid point 211 (39/94) ======================= q-point: (-0.45 0.55 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.463 ( 24.233 41.973 0.034) 48.466 3.896 ( 5.565 9.639 6.430) 12.854 4.199 ( -0.259 -0.448 -0.471) 0.699 5.268 ( -6.688 -11.584 -1.197) 13.430 5.879 ( -2.970 -5.145 -7.415) 9.501 5.894 ( -4.685 -8.115 -0.251) 9.374 6.250 ( -3.800 -6.582 -0.662) 7.629 6.900 ( 4.128 7.150 -1.705) 8.430 7.028 ( 1.394 2.414 -4.650) 5.421 7.797 ( -5.821 -10.083 -2.550) 11.919 8.078 ( 0.292 0.505 1.799) 1.891 8.135 ( -7.871 -13.633 -0.324) 15.745 8.344 ( -0.897 -1.553 -0.641) 1.904 8.889 ( 9.516 16.483 1.505) 19.092 9.063 ( 4.148 7.185 3.696) 9.083 9.214 ( 6.269 10.858 1.697) 12.652 9.686 ( -3.440 -5.958 -3.568) 7.750 10.571 ( -4.832 -8.369 4.310) 10.582 10.688 ( 3.271 5.665 0.581) 6.567 11.034 ( 6.383 11.055 0.401) 12.772 11.395 ( -1.695 -2.936 -1.820) 3.848 11.596 ( -0.016 -0.028 1.152) 1.153 12.359 ( 2.664 4.613 0.092) 5.328 12.902 ( 0.507 0.878 -0.070) 1.016 13.003 ( -1.204 -2.085 -0.712) 2.511 13.153 ( -0.359 -0.621 2.569) 2.667 13.254 ( -0.627 -1.085 0.048) 1.254 13.808 ( -6.587 -11.410 1.440) 13.253 13.814 ( -3.145 -5.448 -3.096) 7.011 14.067 ( -4.276 -7.406 -3.636) 9.293 14.694 ( -5.543 -9.601 -3.891) 11.749 15.181 ( 4.562 7.901 0.535) 9.139 15.228 ( 1.814 3.143 -1.673) 3.996 16.384 ( -6.600 -11.432 2.332) 13.405 17.493 ( 11.491 19.904 1.520) 23.033 18.161 ( 3.725 6.452 -4.806) 8.866 19.012 ( -3.140 -5.439 3.126) 7.015 19.378 ( -0.579 -1.002 -2.794) 3.024 20.119 ( -0.219 -0.380 1.280) 1.353 20.458 ( -4.189 -7.256 0.442) 8.390 21.241 ( -1.380 -2.390 0.497) 2.804 22.097 ( -0.546 -0.945 -1.719) 2.036 23.646 ( 5.992 10.379 0.848) 12.015 23.794 ( 2.545 4.407 1.157) 5.219 24.701 ( -2.823 -4.889 2.378) 6.126 27.506 ( 2.106 3.648 -0.136) 4.215 29.728 ( 1.686 2.921 0.650) 3.435 30.092 ( 0.069 0.119 1.199) 1.206 30.986 ( -1.399 -2.423 0.646) 2.871 31.132 ( -2.074 -3.593 -1.539) 4.425 110.012 ( 0.361 0.625 -0.034) 0.722 110.130 ( -0.152 -0.263 0.592) 0.666 110.217 ( -0.447 -0.774 0.977) 1.324 113.400 ( -0.014 -0.023 -0.035) 0.044 ======================= Grid point 213 (40/94) ======================= q-point: (-0.36 0.55 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.809 ( -18.403 25.719 2.979) 31.765 4.383 ( 20.818 -7.934 -1.243) 22.313 4.506 ( 13.870 50.773 0.112) 52.634 4.996 ( -2.018 0.629 -0.963) 2.323 5.638 ( -8.598 -2.975 -4.271) 10.050 5.971 ( 17.650 -18.772 -1.491) 25.810 6.128 ( 3.773 -18.118 -1.441) 18.563 6.897 ( -16.170 8.933 -2.285) 18.615 7.099 ( 0.617 0.010 -2.446) 2.522 7.357 ( -39.854 5.457 1.314) 40.247 7.775 ( -6.627 2.948 -3.220) 7.936 8.178 ( 20.748 -30.064 2.298) 36.600 8.502 ( 6.445 11.601 -2.304) 13.470 9.039 ( -11.540 22.082 2.838) 25.077 9.164 ( -5.719 1.316 -1.638) 6.092 9.483 ( 15.314 1.548 3.564) 15.800 9.639 ( 4.893 1.956 -1.134) 5.390 10.426 ( -6.528 0.034 4.877) 8.149 10.837 ( 4.070 7.479 0.753) 8.548 11.206 ( 2.641 5.048 -0.337) 5.707 11.367 ( 5.481 -6.507 -2.281) 8.808 11.571 ( -2.278 -1.581 0.879) 2.909 12.508 ( 7.772 6.315 0.167) 10.016 12.908 ( -3.531 -0.496 0.251) 3.574 12.977 ( 3.219 -1.962 -0.081) 3.770 13.102 ( -2.763 -1.520 1.508) 3.496 13.247 ( 1.115 -5.743 1.082) 5.950 13.531 ( -5.627 -13.006 1.369) 14.237 13.727 ( 2.845 -11.171 -2.607) 11.819 13.944 ( -1.953 -9.095 -3.843) 10.065 14.464 ( -6.366 -11.678 -4.604) 14.075 15.282 ( -0.705 6.351 -1.907) 6.668 15.318 ( 2.153 5.640 -0.870) 6.099 16.222 ( -4.687 -0.875 2.850) 5.555 17.850 ( 5.288 19.962 2.753) 20.834 18.276 ( -3.961 15.778 -3.810) 16.707 18.880 ( -2.116 -9.772 2.305) 10.261 19.397 ( 9.875 -13.267 -2.901) 16.791 20.115 ( 0.780 -0.827 1.914) 2.226 20.293 ( -4.262 -9.212 0.841) 10.185 21.216 ( 3.760 -7.410 0.339) 8.316 22.087 ( -1.337 2.184 -1.538) 2.987 23.730 ( -9.741 19.961 -0.045) 22.211 24.039 ( 16.069 3.268 1.150) 16.438 24.560 ( -6.512 -7.297 1.726) 9.931 27.588 ( 1.893 4.530 -0.337) 4.921 29.774 ( -2.460 7.546 0.970) 7.996 30.105 ( 2.481 -2.387 1.844) 3.906 30.937 ( -0.601 -2.769 -0.045) 2.834 31.042 ( -3.111 -4.420 -0.919) 5.483 110.029 ( 0.494 1.196 0.035) 1.294 110.108 ( -2.355 0.944 0.398) 2.568 110.216 ( 2.256 -3.238 1.033) 4.079 113.400 ( 0.020 -0.062 -0.034) 0.073 ======================= Grid point 214 (41/94) ======================= q-point: (-0.27 0.55 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.768 ( -16.417 28.436 2.961) 32.968 4.561 ( -10.021 17.356 -0.115) 20.042 4.615 ( 6.363 -11.020 -3.417) 13.176 5.270 ( 3.162 -5.477 -4.192) 7.587 5.771 ( -0.733 1.269 -0.543) 1.563 5.986 ( 8.860 -15.347 -2.585) 17.908 6.171 ( -2.177 3.771 -0.933) 4.454 6.377 ( -9.172 15.887 2.009) 18.454 7.050 ( -8.387 14.527 -2.049) 16.898 7.160 ( 1.183 -2.048 -0.288) 2.383 7.759 ( -6.516 11.286 -4.060) 13.650 8.201 ( 20.357 -35.259 2.349) 40.782 8.683 ( -6.611 11.450 -3.143) 13.590 9.008 ( 3.800 -6.581 -2.320) 7.946 9.057 ( -14.277 24.728 3.585) 28.778 9.608 ( -2.215 3.837 -1.690) 4.742 9.774 ( 2.306 -3.994 5.141) 6.907 10.359 ( -2.223 3.850 4.800) 6.542 10.919 ( -4.341 7.519 0.493) 8.696 11.231 ( 1.512 -2.619 -1.495) 3.373 11.432 ( 5.858 -10.146 -0.646) 11.734 11.510 ( -1.312 2.272 -0.059) 2.625 12.685 ( 0.633 -1.097 1.045) 1.642 12.787 ( -0.879 1.523 -0.573) 1.850 13.033 ( 3.479 -6.026 0.446) 6.973 13.080 ( -0.845 1.464 0.039) 1.691 13.169 ( 0.602 -1.043 2.714) 2.969 13.442 ( 5.562 -9.634 1.041) 11.173 13.707 ( 5.951 -10.308 -2.564) 12.176 13.852 ( 6.539 -11.327 -3.211) 13.467 14.341 ( 2.230 -3.863 -5.272) 6.906 15.309 ( -3.216 5.571 -2.215) 6.803 15.365 ( -1.835 3.179 -1.287) 3.890 16.184 ( -2.614 4.527 3.109) 6.082 18.009 ( -8.626 14.941 3.269) 17.560 18.318 ( -11.147 19.308 -3.455) 22.561 18.803 ( 6.278 -10.874 1.937) 12.704 19.420 ( 11.527 -19.966 -3.317) 23.292 20.134 ( 0.212 -0.368 1.831) 1.880 20.186 ( 3.515 -6.088 1.697) 7.232 21.213 ( 5.290 -9.162 0.245) 10.583 22.088 ( -1.993 3.452 -1.422) 4.232 23.746 ( -11.456 19.843 -0.439) 22.917 24.297 ( 0.428 -0.742 0.360) 0.930 24.368 ( 2.923 -5.062 2.181) 6.239 27.631 ( -1.550 2.685 -0.446) 3.132 29.790 ( -5.155 8.928 0.995) 10.357 30.117 ( 2.395 -4.148 2.152) 5.252 30.923 ( 1.153 -1.997 -0.899) 2.475 30.980 ( 1.110 -1.923 -0.035) 2.221 110.044 ( -0.477 0.827 0.113) 0.961 110.087 ( -1.114 1.929 0.237) 2.240 110.220 ( 2.334 -4.042 1.105) 4.797 113.400 ( 0.041 -0.071 -0.033) 0.089 ======================= Grid point 225 (42/94) ======================= q-point: (-0.36 0.64 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.257 ( 2.420 4.191 -2.649) 5.517 4.303 ( 8.687 15.047 1.100) 17.409 4.716 ( -9.419 -16.314 -1.116) 18.871 5.318 ( 10.694 18.523 -1.804) 21.464 5.571 ( -2.966 -5.137 -3.520) 6.898 5.759 ( -9.128 -15.809 -1.273) 18.300 6.204 ( 23.080 39.975 0.190) 46.160 6.895 ( -6.803 -11.782 -2.487) 13.831 7.130 ( 1.956 3.388 -1.037) 4.047 7.396 ( -7.199 -12.469 1.466) 14.472 7.478 ( -11.697 -20.259 3.765) 23.694 7.914 ( 3.864 6.692 -5.700) 9.602 8.718 ( 5.387 9.331 -2.647) 11.095 8.969 ( -7.466 -12.931 -2.907) 15.211 9.449 ( 6.574 11.386 4.959) 14.052 9.569 ( 4.985 8.635 3.579) 10.593 9.712 ( 0.010 0.017 1.070) 1.070 10.396 ( -1.222 -2.117 3.344) 4.142 11.027 ( 5.832 10.102 0.871) 11.697 11.241 ( -1.836 -3.181 -3.471) 5.053 11.247 ( -2.195 -3.801 0.905) 4.481 11.547 ( -0.224 -0.388 0.613) 0.759 12.649 ( 4.288 7.428 -0.031) 8.577 12.828 ( -4.606 -7.978 -0.303) 9.217 12.961 ( 0.773 1.339 0.850) 1.764 13.100 ( 0.978 1.694 0.629) 2.054 13.167 ( -1.718 -2.975 -0.307) 3.449 13.335 ( -3.261 -5.649 3.772) 7.535 13.596 ( -0.688 -1.192 -3.269) 3.546 13.725 ( -6.094 -10.555 -3.316) 12.631 14.309 ( -2.125 -3.681 -5.705) 7.114 15.371 ( 1.462 2.532 -2.039) 3.565 15.389 ( 0.914 1.583 -1.645) 2.459 16.233 ( 0.537 0.931 3.615) 3.771 18.207 ( 8.712 15.090 3.776) 17.829 18.500 ( -0.463 -0.802 3.371) 3.496 18.757 ( 2.412 4.178 -4.226) 6.414 19.120 ( -7.836 -13.573 -4.057) 16.189 20.107 ( 0.183 0.316 2.297) 2.326 20.151 ( -2.677 -4.637 1.993) 5.713 21.121 ( -1.331 -2.305 0.259) 2.674 22.123 ( 0.661 1.145 -1.687) 2.143 24.081 ( 4.955 8.582 1.188) 9.981 24.100 ( 5.389 9.334 -0.084) 10.779 24.371 ( -6.883 -11.922 1.060) 13.806 27.660 ( 1.223 2.119 -0.518) 2.501 29.910 ( 3.289 5.696 1.924) 6.853 30.045 ( -2.035 -3.524 2.535) 4.795 30.906 ( 0.032 0.056 -0.680) 0.683 30.956 ( -2.114 -3.662 -0.662) 4.280 110.052 ( 0.522 0.904 0.163) 1.057 110.123 ( 0.291 0.505 0.437) 0.728 110.163 ( -1.038 -1.798 0.625) 2.168 113.399 ( -0.013 -0.023 -0.035) 0.044 ======================= Grid point 266 (43/94) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 94 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 0.000 0.000 15.352) 15.352 0.812 ( 0.000 0.000 15.352) 15.352 2.224 ( 0.000 0.000 45.374) 45.374 3.653 ( 0.000 -0.000 -3.197) 3.197 3.653 ( 0.000 0.000 -3.197) 3.197 3.705 ( -0.000 -0.000 -0.439) 0.439 6.071 ( 0.000 -0.000 -1.600) 1.600 6.071 ( 0.000 0.000 -1.600) 1.600 6.734 ( -0.000 -0.000 -14.741) 14.741 7.775 ( 0.000 -0.000 -8.673) 8.673 7.775 ( -0.000 0.000 -8.673) 8.673 8.842 ( -0.000 0.000 0.303) 0.303 8.842 ( 0.000 -0.000 0.303) 0.303 9.434 ( 0.000 0.000 4.895) 4.895 9.434 ( 0.000 -0.000 4.895) 4.895 9.813 ( 0.000 0.000 4.264) 4.264 10.352 ( 0.000 0.000 0.674) 0.674 10.757 ( 0.000 -0.000 1.695) 1.695 10.757 ( 0.000 0.000 1.695) 1.695 10.822 ( 0.000 0.000 -11.631) 11.631 11.669 ( 0.000 -0.000 -4.400) 4.400 12.009 ( 0.000 -0.000 -1.442) 1.442 12.009 ( 0.000 0.000 -1.442) 1.442 12.644 ( 0.000 -0.000 0.027) 0.027 12.644 ( 0.000 -0.000 0.027) 0.027 13.081 ( 0.000 -0.000 -0.279) 0.279 13.081 ( 0.000 0.000 -0.279) 0.279 13.837 ( 0.000 0.000 7.669) 7.669 13.837 ( 0.000 0.000 7.669) 7.669 14.110 ( 0.000 -0.000 3.645) 3.645 14.395 ( 0.000 0.000 -5.602) 5.602 14.395 ( 0.000 0.000 -5.602) 5.602 14.469 ( 0.000 -0.000 0.335) 0.335 17.796 ( 0.000 -0.000 1.061) 1.061 17.796 ( 0.000 0.000 1.061) 1.061 17.841 ( 0.000 -0.000 3.139) 3.139 19.648 ( 0.000 0.000 -0.411) 0.411 19.648 ( 0.000 0.000 -0.411) 0.411 19.964 ( 0.000 0.000 -1.169) 1.169 21.292 ( -0.000 -0.000 -1.281) 1.281 21.292 ( 0.000 0.000 -1.281) 1.281 22.019 ( 0.000 0.000 1.176) 1.176 23.552 ( 0.000 -0.000 0.577) 0.577 23.552 ( -0.000 0.000 0.577) 0.577 23.914 ( 0.000 0.000 4.305) 4.305 27.510 ( 0.000 -0.000 0.003) 0.003 27.510 ( 0.000 0.000 0.003) 0.003 28.406 ( 0.000 0.000 -4.495) 4.495 30.817 ( 0.000 0.000 1.221) 1.221 32.595 ( 0.000 -0.000 -0.233) 0.233 109.959 ( 0.000 -0.000 -0.302) 0.302 109.959 ( 0.000 0.000 -0.302) 0.302 111.371 ( -0.000 0.000 -0.404) 0.404 113.423 ( 0.000 0.000 -0.120) 0.120 ======================= Grid point 267 (44/94) ======================= q-point: ( 0.09 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 23.040 36.265 9.779) 44.064 1.909 ( 58.256 22.870 13.798) 64.087 2.260 ( 15.562 9.186 32.457) 37.149 3.681 ( 3.679 -2.659 -2.294) 5.086 4.000 ( 31.733 8.240 -0.426) 32.788 4.159 ( 33.537 30.528 -1.210) 45.367 5.957 ( -10.287 -4.017 -2.628) 11.351 6.074 ( 0.709 -0.764 -1.867) 2.138 6.729 ( 1.932 0.763 -9.069) 9.303 7.706 ( -6.447 -2.400 -8.649) 11.052 7.778 ( 0.642 -1.411 -8.600) 8.738 8.844 ( 0.030 -0.624 0.357) 0.719 8.958 ( 0.747 2.020 -0.365) 2.184 9.187 ( -12.645 -4.955 3.093) 13.929 9.338 ( -7.292 -8.195 3.186) 11.423 9.814 ( -4.734 -1.817 3.104) 5.945 10.146 ( -13.749 -6.073 2.022) 15.166 10.650 ( -2.360 -6.817 -2.028) 7.494 10.768 ( -3.481 1.293 0.757) 3.790 10.916 ( 5.748 3.761 -4.762) 8.358 11.580 ( -1.867 -2.193 1.755) 3.372 12.025 ( -0.112 1.287 -1.497) 1.978 12.204 ( 12.025 4.938 -2.184) 13.181 12.655 ( 0.885 0.592 0.219) 1.087 13.022 ( 7.948 2.019 -2.918) 8.704 13.081 ( 4.611 3.724 -1.983) 6.250 13.411 ( 36.002 22.700 -16.555) 45.668 13.809 ( -2.055 -4.497 5.371) 7.300 13.894 ( 3.761 3.496 6.781) 8.505 14.144 ( 2.625 5.859 0.357) 6.430 14.383 ( -2.676 2.318 -4.395) 5.644 14.465 ( 4.681 -0.940 -1.245) 4.934 14.498 ( 6.908 1.541 -1.394) 7.214 17.137 ( -39.346 -20.385 13.407) 46.297 17.724 ( -6.172 -3.924 0.851) 7.363 17.786 ( -8.972 -5.272 -5.448) 11.746 19.669 ( 2.776 -0.867 -0.511) 2.953 19.855 ( -4.345 -2.851 1.354) 5.370 20.310 ( 37.703 24.059 -10.025) 45.835 21.201 ( -7.954 -3.901 -1.226) 8.944 21.321 ( 1.342 0.606 -1.557) 2.143 21.895 ( -7.262 -5.974 1.476) 9.519 23.218 ( -21.705 -11.667 0.257) 24.643 23.673 ( 9.733 4.589 0.977) 10.805 24.146 ( 12.201 8.068 4.654) 15.350 27.506 ( -0.210 -0.288 -0.002) 0.357 28.055 ( 40.201 23.319 -14.613) 48.718 28.520 ( 9.700 5.425 -4.403) 11.955 30.838 ( 1.804 1.081 1.278) 2.461 32.372 ( -17.629 -10.058 4.889) 20.877 109.963 ( 0.390 0.247 -0.292) 0.546 109.964 ( 0.519 0.269 -0.321) 0.667 111.188 ( -13.422 -7.744 5.179) 16.338 113.419 ( -0.258 -0.149 -0.016) 0.299 ======================= Grid point 268 (45/94) ======================= q-point: ( 0.18 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 25.505 27.524 5.940) 37.991 2.326 ( 13.264 8.927 32.992) 36.662 3.536 ( 63.324 36.713 1.060) 73.205 3.757 ( 9.168 -1.528 -2.143) 9.538 4.828 ( 45.451 20.013 0.018) 49.662 5.181 ( 40.458 25.939 -0.413) 48.061 5.737 ( -3.876 1.611 -2.651) 4.964 6.079 ( 0.152 0.085 -2.589) 2.595 6.839 ( 7.891 3.241 -5.848) 10.343 7.518 ( -9.924 -5.882 -8.069) 14.079 7.749 ( -2.807 -2.668 -7.513) 8.452 8.483 ( -30.943 -16.939 1.266) 35.299 8.734 ( -16.195 -8.372 0.174) 18.232 9.036 ( -5.550 -3.368 0.027) 6.493 9.374 ( 10.411 5.269 1.904) 11.823 9.654 ( -5.323 -4.997 0.994) 7.368 9.904 ( -8.748 -2.484 2.064) 9.325 10.500 ( -9.004 -6.737 -0.620) 11.262 10.734 ( -0.057 0.593 3.012) 3.071 11.045 ( 4.791 2.347 -2.670) 5.966 11.568 ( 0.588 -0.040 1.388) 1.508 11.993 ( -4.212 -1.106 -1.188) 4.514 12.464 ( 11.285 4.051 0.380) 11.996 12.691 ( 2.917 2.057 1.031) 3.715 12.980 ( -3.331 -1.875 0.633) 3.875 13.276 ( 8.437 1.458 -1.530) 8.698 13.655 ( -5.634 -6.198 2.753) 8.817 13.938 ( -2.062 1.915 3.379) 4.397 14.197 ( 13.540 8.108 -13.339) 20.664 14.258 ( 2.998 8.477 -3.967) 9.828 14.418 ( 5.539 7.073 -4.187) 9.912 14.586 ( 12.079 0.730 -2.003) 12.266 14.773 ( 20.367 8.571 -3.485) 22.370 16.324 ( -32.999 -13.660 8.474) 36.706 17.517 ( -8.768 -6.399 -2.813) 11.214 17.592 ( -7.041 -4.681 -3.196) 9.039 19.655 ( -6.445 -4.516 1.694) 8.050 19.761 ( 1.747 -0.713 0.480) 1.947 20.887 ( -9.842 -3.352 0.057) 10.397 21.109 ( -0.597 6.437 -4.303) 7.766 21.340 ( 15.900 5.003 -7.625) 18.330 21.848 ( 9.264 0.472 -0.005) 9.276 22.697 ( -23.733 -13.239 -0.400) 27.178 23.905 ( 9.654 5.918 1.927) 11.486 24.400 ( 8.977 6.638 5.181) 12.308 27.498 ( -0.387 -0.294 -0.025) 0.487 28.796 ( 15.133 8.218 -4.848) 17.890 29.001 ( 37.235 21.323 -21.667) 48.069 30.897 ( 3.202 1.989 1.377) 4.013 31.908 ( -21.322 -11.969 9.486) 26.227 109.975 ( 0.575 0.315 -0.278) 0.712 109.982 ( 1.063 0.607 -0.250) 1.249 110.872 ( -13.070 -7.533 7.690) 16.932 113.413 ( -0.276 -0.160 0.024) 0.320 ======================= Grid point 269 (46/94) ======================= q-point: ( 0.27 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( 15.393 19.308 5.965) 25.403 2.740 ( 22.375 10.635 21.847) 33.031 3.996 ( 17.565 8.089 -1.665) 19.410 4.883 ( 53.070 29.517 -1.625) 60.748 5.240 ( -14.663 -6.169 -2.643) 16.126 5.788 ( 30.706 16.499 -2.135) 34.923 6.130 ( 13.424 7.536 -2.157) 15.545 6.542 ( 45.028 27.048 -0.237) 52.528 7.033 ( 10.399 4.323 -4.467) 12.115 7.315 ( -2.901 -7.567 -5.249) 9.655 7.519 ( -23.020 -7.714 -3.240) 24.493 7.808 ( -22.985 -14.591 -1.435) 27.263 8.279 ( -17.720 -8.462 -2.193) 19.758 9.014 ( 0.178 -0.157 0.194) 0.307 9.387 ( -6.318 -6.387 1.311) 9.079 9.609 ( -3.066 -1.886 2.030) 4.133 9.868 ( 4.222 3.073 0.823) 5.286 10.270 ( -8.008 -3.552 -0.361) 8.767 10.765 ( 2.786 0.664 4.022) 4.938 11.098 ( -0.134 -0.289 -0.691) 0.761 11.577 ( 0.154 -0.062 0.035) 0.170 11.857 ( -8.770 -3.678 -0.836) 9.546 12.556 ( -1.582 -0.995 1.048) 2.143 12.850 ( 8.425 4.710 2.507) 9.973 12.929 ( 0.567 -1.018 0.313) 1.207 13.296 ( -5.082 -4.341 -0.895) 6.743 13.560 ( 0.446 -4.134 0.164) 4.161 13.858 ( -5.221 -1.290 1.174) 5.505 14.209 ( -4.189 2.795 -2.712) 5.720 14.323 ( -3.784 -0.155 -2.965) 4.810 14.676 ( 11.434 6.408 -2.251) 13.299 14.819 ( 10.198 2.887 -0.657) 10.619 15.092 ( 0.457 -0.785 0.236) 0.939 15.938 ( 1.155 5.130 -4.741) 7.080 17.370 ( -3.702 -4.377 0.065) 5.733 17.493 ( 1.217 0.028 -6.761) 6.869 19.450 ( -9.852 -5.607 3.309) 11.809 19.807 ( 2.134 -1.546 -1.331) 2.953 20.552 ( -16.895 -7.748 1.978) 18.692 20.866 ( -14.763 -6.155 -1.061) 16.030 21.731 ( 9.171 5.004 -2.756) 10.805 22.136 ( -10.883 -5.420 -3.174) 12.565 22.320 ( 19.460 7.293 -2.357) 20.915 24.069 ( 3.302 3.116 3.030) 5.459 24.591 ( 6.730 5.480 4.798) 9.917 27.488 ( -0.509 -0.286 -0.051) 0.586 29.135 ( 14.948 7.811 -3.415) 17.208 29.692 ( 23.188 12.930 -15.050) 30.518 30.979 ( 3.624 2.351 1.339) 4.523 31.467 ( -16.921 -9.263 7.841) 20.823 109.988 ( 0.543 0.280 -0.208) 0.646 110.014 ( 1.759 1.014 -0.098) 2.033 110.610 ( -9.996 -5.753 5.475) 12.767 113.407 ( -0.235 -0.137 -0.004) 0.272 ======================= Grid point 270 (47/94) ======================= q-point: ( 0.36 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.917 ( 5.830 8.123 2.632) 10.339 3.262 ( 24.579 13.385 15.190) 31.844 4.509 ( 25.814 14.370 -0.763) 29.555 4.871 ( -16.534 -7.152 -1.502) 18.077 5.762 ( 8.845 6.591 -5.484) 12.319 6.057 ( 22.056 14.204 -3.872) 26.518 6.722 ( -7.445 -4.796 -2.112) 9.105 6.863 ( -26.075 -15.291 -1.358) 30.259 6.979 ( 31.699 16.242 -1.908) 35.669 7.168 ( -13.344 -8.331 -5.552) 16.682 7.569 ( 19.421 7.620 0.782) 20.877 7.877 ( 37.858 23.965 1.936) 44.847 8.075 ( -2.990 -1.557 -4.218) 5.399 8.956 ( -5.650 -3.773 0.325) 6.802 9.124 ( -14.974 -9.312 -0.332) 17.636 9.522 ( -3.777 -3.691 3.272) 6.212 9.808 ( -8.369 -4.615 -0.088) 9.557 10.327 ( 9.575 6.012 0.037) 11.306 10.832 ( 4.166 -0.067 3.720) 5.585 11.030 ( -6.513 -1.955 0.446) 6.815 11.575 ( 0.272 -0.110 0.078) 0.304 11.641 ( -10.528 -5.022 -0.792) 11.692 12.465 ( -5.864 -2.306 1.258) 6.425 12.902 ( 0.351 -0.523 -0.072) 0.635 13.035 ( 3.005 2.113 2.682) 4.549 13.147 ( -3.616 -3.446 -0.946) 5.084 13.467 ( -5.684 -5.928 -0.401) 8.223 13.811 ( 0.500 -0.595 -0.361) 0.857 14.087 ( -10.351 -6.269 -4.069) 12.767 14.235 ( -4.140 2.158 -0.343) 4.681 14.787 ( -4.846 0.408 -1.314) 5.038 14.959 ( 7.646 3.239 0.908) 8.354 15.078 ( 3.746 3.424 -0.939) 5.161 16.255 ( 17.343 8.595 -2.760) 19.552 17.275 ( -2.536 -3.241 0.196) 4.120 17.655 ( 12.142 5.683 -7.081) 15.161 19.240 ( -8.041 -4.174 3.343) 9.657 19.708 ( -9.816 -8.988 -2.922) 13.627 20.263 ( -8.722 -3.152 2.969) 9.737 20.612 ( -7.610 -3.117 -0.642) 8.249 21.615 ( -15.397 -9.058 0.398) 17.868 22.001 ( 2.988 2.904 -2.437) 4.827 22.914 ( 26.673 13.264 -2.063) 29.860 24.061 ( -5.139 -1.738 3.377) 6.391 24.739 ( 4.634 4.501 4.194) 7.702 27.476 ( -0.493 -0.232 -0.052) 0.548 29.442 ( 12.417 6.200 -1.929) 14.013 30.045 ( 8.467 4.243 -5.301) 10.853 31.051 ( 1.795 1.397 1.568) 2.763 31.183 ( -7.701 -3.909 2.409) 8.966 109.998 ( 0.385 0.185 -0.129) 0.446 110.063 ( 2.583 1.487 0.151) 2.984 110.414 ( -7.362 -4.229 3.073) 9.029 113.403 ( -0.159 -0.095 -0.031) 0.188 ======================= Grid point 271 (48/94) ======================= q-point: ( 0.45 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.017 ( 1.051 2.399 1.663) 3.102 3.810 ( 22.341 13.691 9.396) 27.836 4.387 ( -20.459 -10.505 1.229) 23.031 5.215 ( 25.773 16.115 -0.277) 30.398 5.767 ( -1.728 3.083 -8.209) 8.937 6.194 ( -26.405 -15.121 -0.302) 30.429 6.368 ( -9.917 -5.125 -0.725) 11.186 6.620 ( 14.926 6.547 -4.797) 16.990 6.918 ( -7.081 -6.439 -6.666) 11.663 7.749 ( 26.672 12.913 -2.401) 29.731 7.966 ( 7.172 6.519 0.963) 9.740 8.100 ( 10.897 6.209 -2.648) 12.818 8.602 ( 1.068 -1.357 2.739) 3.238 8.725 ( -6.032 -5.222 1.419) 8.104 8.861 ( 7.927 5.738 0.144) 9.786 9.300 ( -15.576 -11.032 4.329) 19.572 9.693 ( -1.569 0.009 -3.200) 3.564 10.555 ( 9.722 4.602 0.618) 10.774 10.800 ( -6.071 -9.116 0.946) 10.993 10.944 ( -1.185 5.224 3.496) 6.397 11.439 ( -6.412 -2.543 -1.229) 7.007 11.600 ( 1.683 -0.004 0.838) 1.880 12.356 ( -3.849 -0.571 0.946) 4.005 12.889 ( -0.656 -0.959 -0.422) 1.237 13.018 ( -1.283 0.077 -0.644) 1.437 13.164 ( 3.409 0.253 1.970) 3.945 13.308 ( -5.593 -4.160 0.346) 6.979 13.798 ( -1.768 -2.390 -3.541) 4.623 13.885 ( -2.491 -3.641 -2.299) 4.975 14.212 ( -2.576 3.562 -0.170) 4.400 14.736 ( -2.418 2.632 -3.530) 5.024 15.093 ( 3.482 1.821 1.714) 4.287 15.160 ( 1.487 1.980 -1.487) 2.888 16.543 ( 8.811 1.079 1.256) 8.965 17.226 ( -0.558 -1.326 -0.234) 1.458 17.912 ( 8.818 3.405 -6.223) 11.317 19.142 ( -0.029 0.639 3.165) 3.229 19.383 ( -12.181 -9.268 -2.920) 15.582 20.153 ( -2.483 -1.642 1.143) 3.189 20.557 ( -0.156 1.651 0.610) 1.767 21.326 ( -7.785 -4.342 0.661) 8.939 22.072 ( 1.338 1.808 -1.975) 2.993 23.424 ( 18.199 9.440 0.544) 20.509 23.875 ( -10.917 -5.463 2.431) 12.447 24.826 ( 1.144 2.693 3.956) 4.920 27.468 ( -0.230 -0.063 -0.039) 0.242 29.658 ( 6.450 2.671 -0.326) 6.989 30.106 ( -0.503 -0.879 -0.027) 1.013 31.046 ( -0.913 -0.185 1.930) 2.143 31.132 ( 0.199 0.596 -1.701) 1.814 110.004 ( 0.148 0.049 -0.082) 0.176 110.128 ( 2.750 1.570 0.563) 3.216 110.277 ( -4.324 -2.464 1.569) 5.218 113.400 ( -0.055 -0.035 -0.044) 0.079 ======================= Grid point 278 (49/94) ======================= q-point: ( 0.09 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 22.795 39.481 4.307) 45.792 2.249 ( 7.087 12.276 33.776) 36.630 3.039 ( 35.801 62.009 3.953) 71.711 3.941 ( 9.407 16.293 -1.764) 18.896 4.139 ( 12.915 22.369 0.298) 25.832 5.061 ( 28.670 49.658 -0.460) 57.342 5.823 ( -3.289 -5.696 -3.144) 7.291 6.066 ( -0.031 -0.054 -2.210) 2.211 6.790 ( 3.323 5.756 -6.321) 9.173 7.549 ( -7.330 -12.697 -8.233) 16.814 7.788 ( 1.018 1.763 -8.042) 8.296 8.715 ( -10.444 -18.089 1.622) 20.951 8.814 ( -14.638 -25.353 -0.067) 29.275 8.955 ( -2.938 -5.088 0.931) 5.948 9.374 ( 7.346 12.724 1.001) 14.726 9.674 ( -6.454 -11.179 1.936) 13.053 10.029 ( -2.854 -4.944 2.179) 6.110 10.464 ( -5.263 -9.116 0.816) 10.558 10.780 ( -1.836 -3.179 0.142) 3.674 11.023 ( 4.458 7.721 -2.845) 9.359 11.547 ( -0.503 -0.872 2.155) 2.379 12.038 ( -0.645 -1.118 -1.535) 2.005 12.371 ( 6.569 11.377 0.047) 13.137 12.677 ( 0.916 1.586 0.401) 1.875 13.063 ( -0.827 -1.433 0.085) 1.657 13.117 ( 2.059 3.567 0.279) 4.128 13.693 ( -4.385 -7.596 2.591) 9.146 13.929 ( 5.020 8.695 -3.238) 10.549 14.105 ( 14.638 25.354 -13.136) 32.088 14.291 ( 3.357 5.814 -3.675) 7.654 14.390 ( -0.559 -0.968 -2.118) 2.394 14.550 ( 6.975 12.082 -5.767) 15.096 14.593 ( 5.982 10.362 2.948) 12.323 16.563 ( -18.641 -32.288 9.865) 38.566 17.584 ( -7.178 -12.433 -6.712) 15.848 17.620 ( -3.688 -6.387 1.068) 7.452 19.686 ( 1.246 2.158 -0.522) 2.546 19.738 ( -4.649 -8.052 2.537) 9.638 20.967 ( 19.572 33.900 -10.258) 40.466 21.033 ( -7.134 -12.356 -0.938) 14.299 21.303 ( -2.533 -4.388 -1.825) 5.386 21.789 ( 0.495 0.858 0.406) 1.070 22.839 ( -13.914 -24.100 -0.197) 27.829 23.854 ( 6.978 12.086 1.531) 14.039 24.347 ( 5.972 10.343 5.060) 12.971 27.502 ( -0.062 -0.107 -0.024) 0.126 28.714 ( 7.770 13.458 -4.095) 16.070 28.751 ( 23.251 40.271 -22.372) 51.603 30.879 ( 1.702 2.948 1.346) 3.661 32.040 ( -12.250 -21.218 8.806) 26.035 109.973 ( 0.375 0.650 -0.322) 0.817 109.974 ( 0.451 0.781 -0.238) 0.932 110.954 ( -7.947 -13.765 7.745) 17.681 113.415 ( -0.162 -0.281 0.025) 0.326 ======================= Grid point 279 (50/94) ======================= q-point: ( 0.18 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( 13.928 16.785 25.416) 33.492 2.791 ( 12.262 43.826 3.798) 45.668 3.981 ( -0.357 28.516 -0.710) 28.528 4.444 ( 41.740 44.104 -0.771) 60.729 4.982 ( 54.915 8.546 0.616) 55.580 5.392 ( -8.539 -7.054 -3.340) 11.568 6.060 ( 0.397 -0.624 -3.008) 3.098 6.363 ( 30.956 50.593 -0.440) 59.314 6.947 ( 7.039 8.154 -4.686) 11.747 7.249 ( -7.947 -18.831 -6.351) 21.404 7.806 ( -6.749 6.658 -6.686) 11.601 8.079 ( -29.412 -23.782 -0.003) 37.824 8.304 ( -10.283 -31.893 -0.708) 33.517 8.955 ( 3.327 -2.320 -0.144) 4.058 9.449 ( -7.157 -6.751 2.047) 10.050 9.651 ( 4.909 10.997 1.860) 12.186 9.933 ( -6.136 3.374 0.617) 7.030 10.288 ( -3.189 -12.359 1.556) 12.858 10.715 ( -0.082 -2.785 1.531) 3.179 11.154 ( 0.523 7.562 -0.900) 7.633 11.539 ( 1.276 -2.433 0.693) 2.833 11.961 ( -5.981 -3.194 -1.273) 6.899 12.584 ( 3.010 7.864 1.429) 8.541 12.738 ( 6.325 2.152 1.335) 6.813 12.985 ( -6.006 2.038 0.650) 6.375 13.215 ( 7.716 -5.777 0.729) 9.666 13.522 ( -5.285 -8.164 0.926) 9.769 13.947 ( -4.214 -1.515 0.169) 4.481 14.249 ( -2.440 -2.861 -3.869) 5.395 14.332 ( -0.745 -3.550 -4.180) 5.535 14.569 ( 10.312 11.139 -2.097) 15.323 14.802 ( 4.290 16.724 -0.332) 17.268 14.967 ( 15.579 9.020 -3.414) 18.322 16.015 ( -13.037 -15.296 -0.916) 20.119 17.389 ( -3.416 -4.699 -6.318) 8.583 17.520 ( -2.625 -1.070 -0.076) 2.835 19.545 ( -8.257 -7.218 3.315) 11.457 19.742 ( 3.066 -0.902 -0.765) 3.286 20.727 ( -13.353 -11.586 0.058) 17.679 20.990 ( -11.190 -13.884 -0.400) 17.836 21.601 ( 14.011 12.971 -3.928) 19.493 22.059 ( 16.758 22.620 -4.982) 28.589 22.341 ( -15.956 -21.316 -0.298) 26.628 24.080 ( 4.614 10.758 2.196) 11.910 24.525 ( 5.992 5.227 5.101) 9.448 27.502 ( -0.345 0.798 -0.088) 0.874 29.012 ( 11.071 12.859 -3.489) 17.323 29.470 ( 21.786 23.648 -18.434) 37.063 30.948 ( 2.791 2.985 1.362) 4.307 31.613 ( -14.338 -16.665 8.882) 23.711 109.986 ( 0.298 0.820 -0.234) 0.904 109.997 ( 1.251 0.917 -0.158) 1.560 110.695 ( -8.355 -9.635 6.418) 14.277 113.409 ( -0.192 -0.224 0.007) 0.296 ======================= Grid point 280 (51/94) ======================= q-point: ( 0.27 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.028 ( 18.253 19.340 15.922) 30.995 3.316 ( -5.221 47.784 4.350) 48.265 4.260 ( 12.396 18.493 -1.016) 22.287 5.066 ( -13.414 -8.628 -3.510) 16.331 5.591 ( 32.347 33.944 -2.177) 46.939 5.872 ( 21.543 0.386 -3.687) 21.859 6.215 ( 38.879 2.734 -0.373) 38.976 6.844 ( -7.184 -10.922 -4.096) 13.700 7.004 ( -6.925 -14.725 -2.654) 16.487 7.295 ( -8.817 -4.085 -3.063) 10.189 7.485 ( 3.621 14.339 -0.766) 14.809 7.750 ( 5.327 12.701 0.443) 13.780 8.051 ( 2.863 -1.244 -4.530) 5.501 8.972 ( 0.709 -4.209 -0.058) 4.268 9.243 ( -8.683 -8.992 0.639) 12.516 9.629 ( -10.446 2.038 1.849) 10.802 9.905 ( -6.847 -1.105 1.589) 7.115 10.225 ( 7.541 0.605 1.005) 7.631 10.735 ( 3.841 -1.407 2.384) 4.735 11.178 ( -5.317 6.105 0.261) 8.100 11.536 ( 1.427 -2.987 -0.127) 3.313 11.780 ( -9.948 -5.005 -1.017) 11.182 12.585 ( -6.902 3.728 1.340) 7.958 12.894 ( 3.525 0.400 1.473) 3.842 12.958 ( 3.565 2.645 1.717) 4.760 13.191 ( -4.044 -5.244 -0.516) 6.642 13.410 ( 2.283 -9.593 0.538) 9.876 13.820 ( -5.100 -4.613 -0.551) 6.899 14.140 ( -5.014 -9.851 -3.261) 11.524 14.226 ( -2.435 -8.391 -2.905) 9.208 14.792 ( 4.569 2.139 0.483) 5.068 14.985 ( 0.231 11.976 0.530) 11.990 15.099 ( 0.295 4.511 0.010) 4.521 15.970 ( 14.134 -3.138 -5.308) 15.420 17.374 ( -1.656 7.319 -2.652) 7.959 17.565 ( 5.698 7.152 -3.954) 9.962 19.326 ( -8.517 -7.314 3.485) 11.755 19.723 ( -2.634 -7.575 -2.022) 8.271 20.402 ( -12.039 -6.839 1.866) 13.971 20.676 ( -8.456 -11.788 -0.475) 14.515 21.751 ( -9.383 -6.146 0.060) 11.217 21.950 ( 0.923 -6.310 -1.924) 6.661 22.686 ( 22.294 25.384 -3.822) 33.999 24.177 ( -4.447 7.171 2.974) 8.947 24.667 ( 6.828 1.724 4.360) 8.283 27.504 ( -1.078 2.067 -0.133) 2.335 29.320 ( 11.074 10.462 -2.339) 15.414 29.932 ( 12.365 10.490 -8.935) 18.514 31.022 ( 2.764 1.650 1.240) 3.449 31.263 ( -9.807 -10.866 4.960) 15.455 109.998 ( 0.165 0.822 -0.142) 0.851 110.036 ( 2.094 1.197 0.018) 2.412 110.485 ( -6.949 -6.681 3.923) 10.407 113.404 ( -0.161 -0.163 -0.022) 0.230 ======================= Grid point 281 (52/94) ======================= q-point: ( 0.36 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.450 ( -8.976 37.232 2.189) 38.361 3.650 ( 7.939 30.569 10.164) 33.178 4.599 ( -8.867 -6.026 -0.248) 10.724 4.878 ( 18.281 8.265 -0.878) 20.082 5.800 ( -1.063 -3.040 -7.002) 7.707 6.346 ( -0.314 -2.025 -1.069) 2.312 6.459 ( -11.751 -13.312 -3.278) 18.056 6.529 ( -3.267 -6.705 -2.847) 7.983 6.984 ( -3.924 -6.714 -4.099) 8.791 7.206 ( 41.818 6.120 -1.024) 42.276 7.727 ( 21.350 -1.103 -0.881) 21.397 8.080 ( -0.697 14.156 -2.334) 14.364 8.503 ( 20.293 30.482 2.050) 36.676 8.796 ( -10.715 -17.035 1.298) 20.166 9.026 ( -9.836 2.726 -1.510) 10.318 9.454 ( -9.936 -2.617 3.302) 10.792 9.720 ( -7.365 -4.783 -1.139) 8.856 10.428 ( 10.296 3.803 2.477) 11.252 10.766 ( -0.462 -1.730 1.880) 2.596 11.121 ( -6.932 6.902 0.598) 9.800 11.511 ( -4.842 -5.587 -1.037) 7.466 11.584 ( -2.436 -1.319 0.334) 2.791 12.480 ( -8.269 3.696 1.246) 9.142 12.897 ( -1.001 0.034 0.061) 1.004 13.036 ( -0.571 -1.709 0.633) 1.909 13.099 ( 2.130 -1.666 0.963) 2.870 13.335 ( -2.300 -6.403 0.463) 6.819 13.730 ( 1.811 -8.083 -1.151) 8.363 13.884 ( -7.032 -13.175 -3.102) 15.253 14.146 ( 2.971 -9.864 -2.651) 10.637 14.786 ( -0.907 -1.076 -1.917) 2.378 15.125 ( 1.283 11.215 0.990) 11.332 15.187 ( 0.630 6.896 -1.247) 7.036 16.191 ( 16.987 -11.711 -0.584) 20.641 17.441 ( -5.917 18.321 0.415) 19.257 17.816 ( 10.408 10.581 -5.739) 15.913 19.143 ( -3.663 -6.032 2.974) 7.659 19.475 ( -11.366 -14.085 -2.713) 18.301 20.206 ( -6.345 -2.758 1.863) 7.165 20.529 ( 0.981 -4.953 0.312) 5.059 21.419 ( -11.177 -10.321 0.493) 15.222 22.035 ( 4.510 0.983 -1.910) 4.996 23.270 ( 17.964 21.854 -0.969) 28.306 24.069 ( -13.099 2.137 2.791) 13.562 24.782 ( 5.346 -0.486 3.783) 6.567 27.506 ( -1.800 3.157 -0.143) 3.637 29.580 ( 8.275 7.601 -0.763) 11.262 30.101 ( 1.551 1.395 -1.191) 2.402 31.041 ( -0.761 -2.924 2.139) 3.702 31.110 ( 0.694 -2.972 -0.815) 3.159 110.007 ( -0.071 0.748 -0.074) 0.755 110.092 ( 2.948 1.435 0.324) 3.295 110.326 ( -5.135 -4.532 2.078) 7.157 113.401 ( -0.086 -0.096 -0.040) 0.135 ======================= Grid point 282 (53/94) ======================= q-point: ( 0.45 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.528 ( -25.493 44.155 0.686) 50.990 4.090 ( -5.463 9.462 9.139) 14.244 4.229 ( -0.297 0.514 0.362) 0.695 5.289 ( 6.133 -10.623 -1.088) 12.315 5.845 ( -1.097 1.901 -8.108) 8.400 5.892 ( 5.045 -8.738 -0.371) 10.096 6.259 ( 3.238 -5.609 -0.604) 6.505 6.733 ( -1.032 1.787 -3.186) 3.796 6.843 ( -0.137 0.238 -7.353) 7.358 7.753 ( 5.778 -10.007 -3.457) 12.061 7.998 ( 0.585 -1.013 0.765) 1.398 8.164 ( 7.139 -12.366 -0.253) 14.281 8.442 ( -0.121 0.210 0.492) 0.549 8.806 ( -7.470 12.939 1.365) 15.003 9.098 ( -2.853 4.941 4.201) 7.085 9.238 ( -5.454 9.446 1.898) 11.071 9.635 ( 2.689 -4.657 -3.680) 6.517 10.593 ( 3.637 -6.299 3.751) 8.184 10.683 ( -3.269 5.661 0.720) 6.577 11.114 ( -5.020 8.695 1.113) 10.101 11.386 ( 1.389 -2.405 -1.974) 3.407 11.595 ( 0.394 -0.683 1.238) 1.468 12.420 ( -3.888 6.734 1.043) 7.846 12.882 ( -0.118 0.205 -0.386) 0.453 13.009 ( 0.394 -0.682 -1.062) 1.322 13.137 ( 1.840 -3.186 3.066) 4.789 13.256 ( 0.529 -0.916 0.245) 1.086 13.697 ( 4.001 -6.931 -4.874) 9.370 13.761 ( 5.297 -9.175 -0.047) 10.594 14.123 ( 5.750 -9.959 -2.633) 11.797 14.776 ( -0.091 0.158 -3.100) 3.105 15.198 ( -4.343 7.521 1.558) 8.824 15.226 ( -2.453 4.249 -1.684) 5.187 16.280 ( 10.964 -18.990 0.877) 21.945 17.491 ( -11.727 20.312 1.365) 23.494 17.990 ( -2.440 4.226 -5.500) 7.353 19.117 ( 2.706 -4.687 3.560) 6.479 19.229 ( 2.774 -4.805 -3.734) 6.688 20.133 ( -0.008 0.014 1.220) 1.220 20.535 ( 2.282 -3.952 0.852) 4.642 21.259 ( 1.286 -2.227 0.658) 2.655 22.080 ( 0.497 -0.861 -1.949) 2.188 23.644 ( -5.643 9.773 1.001) 11.329 23.854 ( -3.264 5.653 1.727) 6.753 24.827 ( 1.629 -2.822 3.638) 4.884 27.506 ( -2.075 3.594 -0.140) 4.153 29.705 ( -1.145 1.984 0.284) 2.308 30.095 ( 0.055 -0.096 0.876) 0.883 31.017 ( 1.481 -2.566 1.310) 3.240 31.114 ( 1.407 -2.437 -1.605) 3.240 110.010 ( -0.352 0.609 -0.050) 0.705 110.143 ( 0.200 -0.347 0.696) 0.804 110.241 ( 0.489 -0.847 1.203) 1.551 113.399 ( 0.016 -0.028 -0.046) 0.056 ======================= Grid point 291 (54/94) ======================= q-point: ( 0.18 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.964 ( 13.493 23.370 18.499) 32.718 3.576 ( 20.088 34.793 1.104) 40.191 4.828 ( 17.030 29.496 -0.373) 34.061 4.837 ( 15.580 26.986 -0.331) 31.162 5.146 ( -5.896 -10.212 -4.296) 12.550 5.654 ( 25.339 43.889 -0.107) 50.679 6.005 ( -2.606 -4.513 -3.152) 6.091 6.861 ( -10.745 -18.611 -4.471) 21.950 6.961 ( 0.119 0.206 -3.853) 3.860 7.342 ( 6.781 11.745 -1.331) 13.627 7.641 ( -16.861 -29.204 -1.345) 33.749 7.682 ( 6.117 10.595 -0.300) 12.237 8.040 ( 8.089 14.011 -4.948) 16.918 8.919 ( -1.138 -1.971 -0.522) 2.335 9.267 ( -6.678 -11.567 1.703) 13.465 9.766 ( -2.263 -3.920 -0.468) 4.550 10.049 ( 5.286 9.156 2.417) 10.846 10.064 ( -4.818 -8.345 3.593) 10.284 10.697 ( 1.181 2.045 0.931) 2.539 11.268 ( 1.595 2.763 -0.150) 3.194 11.498 ( -0.747 -1.293 -0.080) 1.495 11.846 ( -4.842 -8.387 -1.220) 9.761 12.744 ( 2.737 4.741 2.853) 6.173 12.760 ( 1.400 2.425 0.882) 2.936 13.017 ( -0.248 -0.429 -0.379) 0.624 13.133 ( -0.380 -0.658 2.627) 2.734 13.340 ( -5.531 -9.580 -0.015) 11.062 13.849 ( -4.700 -8.141 -1.276) 9.487 14.116 ( -5.620 -9.734 -2.467) 11.507 14.215 ( -4.878 -8.450 -4.094) 10.581 14.751 ( 2.655 4.598 0.821) 5.373 15.082 ( 2.731 4.730 0.532) 5.488 15.098 ( 6.382 11.055 1.053) 12.808 15.822 ( -1.314 -2.276 -6.511) 7.021 17.416 ( 4.655 8.063 -8.621) 12.689 17.568 ( 3.498 6.059 1.977) 7.271 19.368 ( -6.035 -10.452 3.929) 12.693 19.698 ( -2.903 -5.028 -2.051) 6.158 20.485 ( -6.595 -11.422 0.360) 13.194 20.683 ( -9.029 -15.639 0.595) 18.069 21.808 ( 5.140 8.902 -1.099) 10.338 21.893 ( -12.779 -22.134 0.007) 25.558 22.627 ( 17.892 30.990 -5.180) 36.157 24.279 ( 4.587 7.944 2.198) 9.433 24.594 ( 1.163 2.014 4.920) 5.442 27.528 ( 0.993 1.720 -0.210) 1.997 29.277 ( 7.844 13.586 -2.340) 15.861 29.870 ( 9.306 16.118 -10.528) 21.383 31.004 ( 1.422 2.463 1.217) 3.094 31.294 ( -8.552 -14.812 5.926) 18.102 110.004 ( 0.521 0.903 -0.140) 1.052 110.020 ( 0.903 1.564 -0.035) 1.806 110.512 ( -5.034 -8.720 4.262) 10.933 113.405 ( -0.123 -0.213 -0.018) 0.246 ======================= Grid point 292 (55/94) ======================= q-point: ( 0.27 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.462 ( 16.733 24.055 11.098) 31.334 4.200 ( 13.974 33.166 1.258) 36.011 4.789 ( -23.806 21.260 -2.548) 32.019 4.951 ( -12.949 14.816 -0.950) 19.700 5.703 ( 13.025 -8.704 -3.978) 16.163 6.090 ( 40.426 3.695 -0.696) 40.600 6.372 ( 8.302 3.674 -1.065) 9.141 6.508 ( -11.417 -17.562 -3.446) 21.228 6.661 ( -0.194 -6.678 -1.744) 6.905 7.119 ( -12.399 -14.018 -2.693) 18.907 7.453 ( 11.390 3.606 -3.629) 12.486 8.233 ( 8.982 25.491 -2.410) 27.134 8.508 ( 16.635 33.203 0.858) 37.147 8.781 ( -8.998 -18.324 1.439) 20.465 9.051 ( -0.673 -8.048 -1.138) 8.156 9.592 ( -8.466 -6.343 -1.946) 10.756 9.885 ( -11.411 0.621 3.934) 12.086 10.281 ( 10.686 4.370 4.705) 12.467 10.776 ( 2.319 5.454 0.456) 5.944 11.259 ( -3.902 1.255 -0.307) 4.110 11.492 ( 0.966 -1.267 -0.408) 1.644 11.647 ( -7.759 -8.152 -0.756) 11.280 12.686 ( -9.401 5.876 1.827) 11.236 12.879 ( 5.955 -2.279 1.853) 6.640 13.002 ( -0.794 2.293 0.258) 2.441 13.110 ( -4.367 -3.378 0.126) 5.523 13.222 ( 5.264 -8.406 1.282) 10.001 13.664 ( -5.083 -10.140 -1.164) 11.402 13.867 ( -8.261 -15.944 -2.695) 18.158 14.026 ( -3.151 -12.307 -3.958) 13.306 14.746 ( 0.227 -4.729 -0.023) 4.734 15.200 ( 2.763 8.856 -0.899) 9.320 15.258 ( 1.410 8.704 -0.365) 8.825 15.891 ( 8.509 -1.929 -1.991) 8.949 17.652 ( 4.104 19.123 -3.875) 19.939 17.766 ( 9.112 12.849 -0.922) 15.779 19.151 ( -6.538 -10.506 3.549) 12.873 19.497 ( -8.761 -15.119 -3.421) 17.806 20.305 ( -7.751 -2.928 1.818) 8.483 20.444 ( -0.853 -10.942 0.880) 11.011 21.490 ( -11.427 -15.273 0.378) 19.078 21.966 ( 5.193 3.908 -1.455) 6.660 23.221 ( 16.985 27.578 -2.481) 32.483 24.324 ( -9.254 7.061 2.510) 11.908 24.644 ( 6.803 -4.303 3.943) 8.964 27.563 ( -0.175 3.545 -0.309) 3.562 29.534 ( 7.726 11.015 -0.956) 13.489 30.085 ( 3.515 4.687 -2.448) 6.349 31.031 ( -0.830 -1.568 1.402) 2.262 31.067 ( -2.423 -7.609 1.186) 8.073 110.019 ( -0.030 1.209 -0.039) 1.210 110.061 ( 2.137 1.403 0.152) 2.561 110.357 ( -4.515 -6.126 2.422) 7.986 113.401 ( -0.093 -0.139 -0.036) 0.171 ======================= Grid point 293 (56/94) ======================= q-point: ( 0.36 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.982 ( 16.355 22.703 4.908) 28.408 4.446 ( -22.053 -1.184 -0.030) 22.085 4.644 ( -16.741 48.812 1.774) 51.634 5.005 ( 5.961 3.774 -0.669) 7.087 5.687 ( 5.940 -3.787 -3.534) 7.881 5.970 ( -15.676 -18.116 -2.213) 24.059 6.162 ( -5.171 -16.660 -1.514) 17.510 6.672 ( 11.792 3.727 -4.259) 13.080 6.874 ( -2.439 -2.816 -5.197) 6.395 7.339 ( 45.814 6.690 1.040) 46.312 7.708 ( 9.291 4.109 -4.337) 11.046 8.181 ( -22.222 -28.538 2.005) 36.225 8.555 ( -2.998 11.334 -1.389) 11.806 8.971 ( 7.983 16.768 1.525) 18.634 9.142 ( 9.212 4.648 -0.112) 10.319 9.399 ( -11.492 -1.476 0.369) 11.592 9.686 ( -10.694 2.972 1.309) 11.177 10.468 ( 7.186 0.228 4.701) 8.590 10.838 ( -3.884 8.583 0.917) 9.465 11.226 ( -0.363 3.374 -0.676) 3.460 11.382 ( -7.390 -6.756 -1.879) 10.188 11.563 ( 2.359 -1.629 1.012) 3.041 12.595 ( -7.581 7.386 1.646) 10.712 12.899 ( -1.108 0.168 0.163) 1.133 13.008 ( -1.346 -1.279 -0.853) 2.043 13.049 ( 3.744 -3.077 2.376) 5.397 13.237 ( 1.236 -3.389 0.815) 3.699 13.530 ( 3.416 -10.297 -1.261) 10.922 13.605 ( -2.763 -13.749 -2.774) 14.296 13.907 ( 4.592 -13.976 -4.150) 15.285 14.721 ( 2.446 -5.137 -1.943) 6.013 15.303 ( -0.226 6.245 -1.539) 6.435 15.332 ( -1.673 6.636 -0.135) 6.845 15.993 ( 6.772 -5.724 0.436) 8.878 17.856 ( -4.974 21.360 2.271) 22.049 18.062 ( 5.209 13.932 -4.474) 15.533 18.990 ( 1.448 -9.631 2.509) 10.058 19.177 ( -6.939 -15.519 -3.916) 17.445 20.166 ( -4.455 -0.857 1.945) 4.936 20.418 ( 4.649 -6.411 1.549) 8.070 21.237 ( -4.010 -7.407 0.547) 8.440 22.054 ( 2.107 1.027 -1.904) 3.020 23.727 ( 12.070 23.471 -0.083) 26.393 24.124 ( -18.576 3.029 2.015) 18.929 24.710 ( 6.405 -6.943 3.279) 9.999 27.586 ( -1.829 4.457 -0.359) 4.831 29.735 ( 3.383 8.002 0.513) 8.703 30.101 ( -1.417 -1.463 1.500) 2.529 30.964 ( 0.449 -3.773 0.459) 3.827 31.049 ( 1.924 -3.670 -0.683) 4.200 110.027 ( -0.464 1.209 0.016) 1.295 110.118 ( 2.645 1.096 0.480) 2.903 110.242 ( -2.771 -3.858 1.265) 4.915 113.399 ( -0.022 -0.069 -0.045) 0.085 ======================= Grid point 299 (57/94) ======================= q-point: (-0.09 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -22.946 39.743 7.447) 46.492 2.224 ( -5.699 9.871 35.668) 37.445 3.122 ( -33.900 58.717 1.663) 67.821 4.087 ( -10.724 18.575 -2.756) 21.625 4.169 ( -13.774 23.857 0.193) 27.548 5.026 ( -31.015 53.719 0.081) 62.030 5.763 ( 5.437 -9.417 -2.847) 11.240 6.076 ( 0.470 -0.814 -2.354) 2.534 6.810 ( -4.129 7.151 -6.343) 10.412 7.545 ( 6.537 -11.323 -8.152) 15.407 7.813 ( -0.975 1.689 -8.476) 8.698 8.682 ( 12.668 -21.941 2.505) 25.459 8.818 ( 13.618 -23.587 -0.085) 27.236 8.949 ( 1.799 -3.115 0.601) 3.647 9.401 ( -6.419 11.119 0.763) 12.861 9.684 ( 5.055 -8.756 1.604) 10.237 9.981 ( 3.665 -6.348 2.812) 7.851 10.514 ( 6.028 -10.441 0.169) 12.057 10.761 ( 1.175 -2.035 0.268) 2.365 11.027 ( -4.892 8.473 -2.637) 10.133 11.560 ( 0.836 -1.448 1.810) 2.464 12.011 ( 1.007 -1.744 -1.281) 2.386 12.423 ( -7.538 13.057 0.039) 15.077 12.670 ( -0.586 1.015 0.567) 1.302 13.027 ( 0.795 -1.377 0.308) 1.620 13.213 ( -3.229 5.593 -1.128) 6.556 13.765 ( 4.098 -7.099 2.217) 8.491 13.849 ( -5.700 9.873 -1.264) 11.471 14.104 ( -12.563 21.760 -13.668) 28.603 14.190 ( -2.653 4.595 -1.989) 5.666 14.301 ( 0.188 -0.326 -4.827) 4.841 14.642 ( -8.252 14.292 -4.993) 17.242 14.658 ( -6.558 11.359 1.329) 13.184 16.472 ( 21.430 -37.117 12.201) 44.562 17.604 ( 6.247 -10.820 -6.962) 14.303 17.630 ( 3.433 -5.947 0.946) 6.931 19.734 ( -1.939 3.358 -0.987) 4.001 19.742 ( 4.740 -8.209 2.815) 9.888 20.862 ( -13.364 23.147 -7.111) 27.658 21.017 ( 7.499 -12.989 -0.806) 15.020 21.337 ( -1.959 3.393 -4.984) 6.339 21.873 ( -2.843 4.924 0.078) 5.686 22.828 ( 13.950 -24.162 -0.146) 27.900 23.855 ( -6.331 10.966 1.368) 12.736 24.320 ( -5.395 9.344 5.410) 12.069 27.504 ( 0.081 -0.140 -0.048) 0.169 28.722 ( -8.075 13.987 -4.173) 16.681 28.753 ( -23.423 40.569 -22.563) 51.996 30.876 ( -1.615 2.797 1.376) 3.511 32.035 ( 12.443 -21.552 9.056) 26.482 109.973 ( -0.440 0.762 -0.229) 0.909 109.974 ( -0.399 0.692 -0.343) 0.869 110.954 ( 7.954 -13.777 7.752) 17.697 113.415 ( 0.162 -0.280 0.025) 0.325 ======================= Grid point 303 (58/94) ======================= q-point: ( 0.27 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.945 ( 13.883 24.047 5.186) 28.247 4.649 ( 8.272 14.327 0.995) 16.573 4.697 ( -5.302 -9.183 -2.306) 10.852 5.413 ( -0.847 -1.468 -3.151) 3.577 5.807 ( 2.457 4.255 -0.584) 4.948 6.105 ( -8.670 -15.017 -1.868) 17.440 6.113 ( -0.613 -1.062 -1.701) 2.097 6.220 ( 9.753 16.893 0.860) 19.525 6.892 ( 7.509 13.007 -3.843) 15.503 6.916 ( -2.059 -3.567 -2.366) 4.750 7.678 ( 8.591 14.880 -5.360) 17.998 8.225 ( -20.762 -35.960 2.465) 41.597 8.706 ( 8.982 15.558 -2.217) 18.101 8.929 ( -2.181 -3.777 -2.120) 4.849 9.031 ( 11.718 20.295 2.754) 23.596 9.513 ( 0.580 1.005 -1.659) 2.024 9.853 ( -3.428 -5.938 4.748) 8.340 10.381 ( 2.993 5.184 4.477) 7.475 10.923 ( 5.118 8.865 0.597) 10.254 11.234 ( -1.486 -2.574 -1.719) 3.433 11.464 ( -5.715 -9.899 0.030) 11.431 11.492 ( 0.387 0.670 -0.238) 0.810 12.766 ( -0.118 -0.205 2.612) 2.623 12.846 ( 0.968 1.676 0.894) 2.132 12.999 ( -3.569 -6.182 -0.177) 7.141 13.056 ( 1.125 1.948 -0.440) 2.292 13.149 ( 0.445 0.772 2.012) 2.200 13.472 ( -4.926 -8.532 0.018) 9.852 13.573 ( -7.121 -12.333 -4.065) 14.810 13.763 ( -7.179 -12.434 -4.320) 14.994 14.661 ( -1.800 -3.119 -1.583) 3.934 15.338 ( 2.909 5.038 -1.553) 6.021 15.377 ( 2.011 3.483 -1.126) 4.176 15.917 ( 1.780 3.084 0.598) 3.611 18.038 ( 8.695 15.060 3.524) 17.744 18.063 ( 11.175 19.355 -4.938) 22.888 18.924 ( -6.675 -11.562 2.547) 13.591 19.157 ( -10.540 -18.256 -4.725) 21.604 20.247 ( -3.004 -5.203 2.007) 6.334 20.296 ( -1.077 -1.866 2.280) 3.137 21.237 ( -5.462 -9.460 0.496) 10.935 22.040 ( 1.741 3.016 -1.946) 3.990 23.739 ( 14.088 24.400 -0.561) 28.181 24.415 ( -0.861 -1.492 1.690) 2.413 24.512 ( -3.353 -5.808 3.532) 7.580 27.628 ( 1.544 2.674 -0.480) 3.125 29.746 ( 5.882 10.189 0.545) 11.778 30.107 ( -1.378 -2.386 1.758) 3.269 30.941 ( -1.749 -3.029 -0.390) 3.520 31.007 ( -1.359 -2.354 0.270) 2.732 110.041 ( 0.507 0.878 0.082) 1.017 110.095 ( 1.242 2.151 0.317) 2.504 110.248 ( -2.809 -4.865 1.343) 5.775 113.399 ( -0.045 -0.079 -0.045) 0.101 ======================= Grid point 304 (59/94) ======================= q-point: ( 0.36 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.314 ( -2.430 4.210 -2.077) 5.286 4.474 ( -7.504 12.997 3.720) 15.461 4.799 ( 7.536 -13.053 0.407) 15.078 5.461 ( -9.049 15.674 -1.004) 18.126 5.668 ( 3.705 -6.417 -2.950) 7.976 5.831 ( 7.937 -13.746 -0.694) 15.888 6.100 ( -22.664 39.255 -0.887) 45.337 6.635 ( 4.293 -7.436 -4.917) 9.895 6.907 ( -4.119 7.134 -3.281) 8.867 7.408 ( 10.211 -17.685 1.051) 20.448 7.428 ( 12.490 -21.634 3.084) 25.170 7.865 ( -4.112 7.123 -6.497) 10.481 8.745 ( -4.047 7.010 -2.073) 8.355 8.933 ( 6.339 -10.980 -2.396) 12.903 9.431 ( -4.967 8.603 0.310) 9.939 9.452 ( -7.245 12.549 4.586) 15.198 9.726 ( 1.531 -2.651 3.244) 4.460 10.444 ( 1.017 -1.762 3.204) 3.795 11.052 ( -6.391 11.069 1.248) 12.842 11.242 ( 1.861 -3.223 -3.421) 5.055 11.277 ( 1.509 -2.614 1.239) 3.263 11.512 ( 1.444 -2.501 0.276) 2.901 12.740 ( -3.895 6.747 1.789) 7.993 12.896 ( 4.160 -7.205 1.210) 8.408 12.917 ( -0.589 1.021 0.385) 1.240 13.076 ( -2.420 4.192 -0.129) 4.842 13.183 ( 1.956 -3.387 0.182) 3.916 13.363 ( 3.221 -5.578 3.194) 7.190 13.447 ( 0.158 -0.274 -6.015) 6.023 13.624 ( 7.376 -12.775 -4.790) 15.509 14.631 ( 1.621 -2.807 -2.125) 3.876 15.391 ( -1.510 2.616 -1.734) 3.483 15.409 ( -0.826 1.431 -1.292) 2.098 15.955 ( -0.059 0.103 1.281) 1.286 18.224 ( -8.295 14.368 3.854) 17.032 18.318 ( -5.165 8.946 -1.507) 10.439 18.791 ( 4.619 -8.001 -0.230) 9.242 18.896 ( 6.587 -11.409 -5.304) 14.201 20.185 ( -1.611 2.791 2.535) 4.100 20.288 ( 3.498 -6.058 2.505) 7.430 21.141 ( 1.359 -2.354 0.463) 2.757 22.071 ( -0.305 0.529 -2.224) 2.306 24.145 ( -6.677 11.566 0.226) 13.357 24.187 ( -5.598 9.696 2.166) 11.403 24.505 ( 7.967 -13.800 2.536) 16.136 27.656 ( -1.203 2.084 -0.551) 2.469 29.885 ( -3.771 6.531 1.627) 7.715 30.043 ( 2.329 -4.035 2.399) 5.240 30.923 ( 0.062 -0.107 -0.361) 0.381 30.973 ( 1.962 -3.398 -0.410) 3.945 110.050 ( -0.512 0.886 0.137) 1.033 110.135 ( -0.358 0.620 0.551) 0.903 110.181 ( 1.178 -2.040 0.796) 2.486 113.398 ( 0.014 -0.025 -0.047) 0.055 ======================= Grid point 310 (60/94) ======================= q-point: (-0.18 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( -12.638 25.579 18.703) 34.115 2.605 ( -22.421 29.073 13.397) 39.082 4.036 ( -3.240 31.120 -0.802) 31.299 4.512 ( -32.672 44.011 -1.259) 54.827 5.050 ( -51.456 9.957 -0.197) 52.411 5.356 ( 7.779 -11.483 -3.754) 14.369 6.041 ( 0.639 -3.569 -2.954) 4.677 6.325 ( -33.904 54.104 0.625) 63.852 6.995 ( -6.697 10.424 -5.153) 13.418 7.293 ( 6.067 -15.351 -6.845) 17.869 7.798 ( 11.604 4.073 -5.966) 13.669 8.072 ( 24.627 -21.834 -0.299) 32.914 8.267 ( 11.472 -33.894 -0.151) 35.783 8.962 ( -3.155 -2.256 -0.287) 3.889 9.504 ( 6.535 -2.476 0.957) 7.053 9.674 ( -3.821 9.655 2.113) 10.596 9.874 ( 3.323 2.114 0.771) 4.013 10.290 ( 5.815 -13.418 1.757) 14.729 10.730 ( -0.754 -1.001 1.331) 1.828 11.166 ( -0.123 7.851 -0.896) 7.903 11.537 ( -1.216 -3.163 0.607) 3.443 11.928 ( 5.463 -4.261 -0.916) 6.988 12.619 ( 1.671 7.038 1.105) 7.317 12.739 ( -8.731 3.135 1.710) 9.433 12.984 ( 3.329 1.499 0.077) 3.652 13.295 ( -3.345 -2.547 0.115) 4.206 13.588 ( 5.518 -7.288 0.340) 9.148 13.921 ( 2.815 0.920 1.816) 3.474 14.121 ( 1.413 -7.203 -1.631) 7.520 14.266 ( -3.156 -2.917 -3.509) 5.548 14.573 ( -10.110 11.227 -6.812) 16.573 14.867 ( -3.318 15.194 0.605) 15.564 15.052 ( -11.218 11.137 -4.814) 16.524 15.859 ( 9.235 -19.763 1.741) 21.884 17.437 ( 3.503 -2.576 -6.658) 7.952 17.536 ( 2.870 -0.296 -0.433) 2.918 19.544 ( 8.365 -7.869 3.712) 12.070 19.807 ( -2.434 2.485 -1.584) 3.822 20.690 ( 13.911 -12.989 0.611) 19.042 20.893 ( 5.635 -14.452 0.003) 15.512 21.622 ( -11.624 12.709 -4.705) 17.854 22.162 ( -11.113 22.049 -4.818) 25.156 22.335 ( 13.281 -19.748 -0.515) 23.804 24.055 ( -4.275 9.028 2.324) 10.255 24.486 ( -6.575 3.589 5.540) 9.317 27.503 ( 0.418 0.753 -0.098) 0.867 29.030 ( -11.018 13.835 -3.676) 18.064 29.479 ( -21.891 24.276 -18.859) 37.738 30.943 ( -2.776 2.661 1.437) 4.105 31.601 ( 14.290 -17.264 9.346) 24.281 109.987 ( -0.262 0.907 -0.238) 0.974 109.997 ( -1.283 0.872 -0.170) 1.560 110.695 ( 8.352 -9.656 6.428) 14.294 113.409 ( 0.192 -0.222 0.007) 0.294 ======================= Grid point 322 (61/94) ======================= q-point: (-0.27 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( -14.868 22.697 14.837) 30.924 3.229 ( -7.854 38.342 7.086) 39.774 4.316 ( -7.771 21.593 -1.234) 22.982 5.008 ( 12.935 -11.719 -2.997) 17.710 5.592 ( -32.085 31.810 -2.177) 45.234 5.827 ( -14.193 -1.795 -3.688) 14.774 6.219 ( -43.344 2.676 -0.591) 43.430 6.914 ( 7.631 -6.818 -4.434) 11.152 7.039 ( 11.155 -18.068 -2.376) 21.367 7.306 ( 12.389 -4.244 -3.352) 13.518 7.518 ( -15.095 22.895 -0.673) 27.431 7.729 ( -1.797 11.918 0.495) 12.063 8.025 ( -3.839 -2.363 -4.343) 6.260 8.970 ( -0.493 -4.781 -0.044) 4.807 9.311 ( 11.972 -6.937 -0.793) 13.859 9.616 ( 7.649 1.422 1.997) 8.032 9.917 ( 7.862 -1.253 1.605) 8.121 10.202 ( -9.297 2.502 1.558) 9.753 10.768 ( -3.663 -0.288 2.097) 4.230 11.172 ( 6.618 5.619 0.279) 8.686 11.534 ( -1.920 -3.748 -0.176) 4.215 11.750 ( 8.970 -5.628 -0.656) 10.609 12.568 ( 7.682 2.331 1.428) 8.154 12.897 ( -3.875 0.681 1.658) 4.269 12.987 ( -2.138 2.476 0.685) 3.342 13.221 ( 6.303 -3.901 -0.345) 7.421 13.491 ( -1.005 -8.056 -0.538) 8.136 13.820 ( 4.334 -3.584 0.081) 5.624 14.061 ( -1.952 -7.712 -1.123) 8.034 14.196 ( 4.784 -9.620 -2.990) 11.152 14.747 ( -0.744 -5.009 -0.693) 5.111 14.991 ( 1.799 3.959 0.525) 4.380 15.072 ( -1.617 7.699 0.167) 7.868 15.975 ( -19.262 3.912 -5.018) 20.286 17.423 ( 3.328 8.655 -2.416) 9.582 17.591 ( -6.000 8.597 -5.096) 11.657 19.316 ( 8.585 -8.164 3.992) 12.502 19.817 ( 4.169 -2.651 -3.757) 6.207 20.340 ( 10.898 -9.691 3.119) 14.914 20.635 ( 6.318 -12.813 -0.224) 14.288 21.764 ( 11.194 -7.773 0.053) 13.628 21.924 ( -2.065 -4.519 -1.894) 5.317 22.752 ( -19.541 25.799 -4.217) 32.638 24.139 ( 3.470 5.341 3.324) 7.185 24.622 ( -7.583 -0.323 4.810) 8.986 27.503 ( 1.103 1.982 -0.125) 2.271 29.345 ( -10.638 11.674 -2.603) 16.007 29.948 ( -12.180 11.403 -9.445) 19.173 31.013 ( -2.859 1.190 1.345) 3.376 31.247 ( 9.485 -11.567 5.474) 15.929 110.000 ( -0.127 0.891 -0.154) 0.913 110.036 ( -2.114 1.180 0.015) 2.421 110.484 ( 6.939 -6.706 3.932) 10.421 113.404 ( 0.161 -0.160 -0.022) 0.228 ======================= Grid point 323 (62/94) ======================= q-point: (-0.18 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( -13.317 23.066 19.370) 32.933 3.350 ( -21.898 37.929 3.228) 43.915 4.805 ( -16.951 29.361 0.158) 33.903 4.984 ( -13.785 23.876 -1.756) 27.625 5.076 ( 7.828 -13.558 -3.735) 16.095 5.673 ( -25.257 43.746 -1.166) 50.527 5.925 ( 3.967 -6.872 -2.580) 8.344 6.960 ( 10.307 -17.853 -4.927) 21.195 7.009 ( 0.588 -1.019 -3.076) 3.293 7.401 ( -10.236 17.729 -2.641) 20.642 7.577 ( 14.631 -25.342 -0.395) 29.265 7.704 ( -5.966 10.333 0.205) 11.933 8.008 ( -6.367 11.028 -5.217) 13.761 8.920 ( 1.618 -2.802 -0.415) 3.262 9.368 ( 6.078 -10.527 -0.558) 12.168 9.726 ( 3.628 -6.284 0.205) 7.259 10.051 ( 5.134 -8.893 4.378) 11.163 10.056 ( -8.310 14.394 2.111) 16.754 10.736 ( -1.269 2.198 0.546) 2.596 11.279 ( -1.295 2.243 -0.170) 2.596 11.480 ( 0.995 -1.723 -0.024) 1.989 11.803 ( 4.895 -8.478 -0.668) 9.812 12.715 ( -0.780 1.351 1.017) 1.862 12.794 ( -1.524 2.639 2.660) 4.045 13.007 ( -0.382 0.662 -0.506) 0.916 13.258 ( 0.488 -0.846 1.502) 1.792 13.396 ( 5.953 -10.311 -0.474) 11.915 13.847 ( 5.110 -8.850 -1.472) 10.325 14.018 ( 2.118 -3.668 -0.062) 4.236 14.176 ( 3.658 -6.337 -3.195) 7.984 14.708 ( 2.376 -4.115 -1.172) 4.894 15.029 ( 2.383 -4.127 1.338) 4.950 15.112 ( -5.402 9.357 0.677) 10.825 15.811 ( -6.990 12.107 -6.075) 15.243 17.489 ( -5.052 8.751 -9.442) 13.829 17.595 ( -3.676 6.367 1.674) 7.540 19.354 ( 6.462 -11.193 4.475) 13.677 19.831 ( 0.887 -1.536 -3.994) 4.370 20.404 ( 8.347 -14.457 1.687) 16.778 20.608 ( 7.753 -13.429 1.142) 15.549 21.829 ( -5.047 8.742 -1.598) 10.220 21.875 ( 12.899 -22.342 0.180) 25.799 22.718 ( -16.666 28.866 -5.549) 33.791 24.221 ( -3.766 6.523 2.657) 7.987 24.532 ( -0.792 1.372 5.612) 5.831 27.527 ( -0.932 1.614 -0.202) 1.875 29.312 ( -8.239 14.270 -2.710) 16.698 29.893 ( -9.702 16.805 -11.299) 22.455 30.993 ( -1.252 2.168 1.378) 2.857 31.272 ( 8.782 -15.210 6.692) 18.795 110.007 ( -0.544 0.943 -0.178) 1.103 110.019 ( -0.897 1.553 -0.020) 1.793 110.511 ( 5.042 -8.733 4.275) 10.953 113.405 ( 0.121 -0.210 -0.018) 0.243 ======================= Grid point 334 (63/94) ======================= q-point: (-0.36 0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.357 ( 3.970 35.230 4.460) 35.732 3.656 ( -7.764 28.822 8.829) 31.128 4.567 ( 11.811 -9.673 -0.279) 15.269 4.854 ( -20.749 9.558 -0.579) 22.852 5.695 ( -0.345 -8.394 -5.685) 10.144 6.350 ( 2.149 -4.170 -1.258) 4.857 6.457 ( 13.918 -17.013 -1.804) 22.055 6.551 ( -0.697 0.424 -3.661) 3.751 7.042 ( 2.436 -2.192 -4.991) 5.970 7.234 ( -39.795 6.440 -1.781) 40.352 7.776 ( -17.245 -2.349 -1.411) 17.462 8.052 ( 0.737 15.420 -1.564) 15.517 8.533 ( -23.249 33.487 1.804) 40.807 8.802 ( 11.099 -18.229 1.212) 21.377 9.028 ( 12.424 3.136 -1.703) 12.926 9.517 ( 8.117 0.453 2.321) 8.455 9.691 ( 8.801 -6.585 -0.702) 11.015 10.450 ( -10.649 6.510 2.194) 12.673 10.807 ( -0.294 -2.450 1.780) 3.043 11.083 ( 8.908 6.775 1.001) 11.237 11.473 ( 5.084 -7.569 -0.873) 9.160 11.603 ( 0.792 -0.208 0.222) 0.848 12.442 ( 8.115 1.806 1.463) 8.441 12.917 ( 1.210 0.543 0.012) 1.327 13.008 ( 0.634 -2.404 0.313) 2.506 13.143 ( -1.429 -0.372 0.645) 1.611 13.384 ( 5.547 -5.441 -0.105) 7.771 13.759 ( -2.865 -7.855 -1.149) 8.439 13.931 ( 7.428 -10.277 -3.517) 13.159 14.039 ( -3.965 -11.324 -0.359) 12.004 14.649 ( -2.591 -9.837 -1.147) 10.237 15.108 ( -3.172 7.918 -0.674) 8.556 15.175 ( 0.231 7.426 -0.182) 7.432 16.294 ( -15.782 -4.088 -1.169) 16.344 17.476 ( 7.111 19.290 0.157) 20.560 17.860 ( -9.798 13.058 -6.605) 17.611 19.125 ( 3.327 -7.104 3.725) 8.684 19.554 ( 15.032 -11.093 -4.399) 19.193 20.185 ( 3.029 -2.199 2.529) 4.518 20.486 ( -1.364 -7.469 0.743) 7.629 21.414 ( 11.022 -10.804 0.580) 15.445 22.019 ( -4.147 1.193 -1.693) 4.635 23.301 ( -16.437 21.666 -1.225) 27.223 24.038 ( 11.642 0.946 3.119) 12.090 24.729 ( -6.368 -2.912 4.279) 8.206 27.504 ( 1.765 3.035 -0.124) 3.513 29.608 ( -7.650 8.919 -1.048) 11.797 30.120 ( -0.952 2.280 -1.534) 2.908 31.030 ( 0.415 -3.493 2.282) 4.193 31.097 ( -1.103 -3.486 -0.544) 3.696 110.008 ( 0.108 0.810 -0.086) 0.822 110.093 ( -2.967 1.439 0.320) 3.312 110.325 ( 5.129 -4.569 2.087) 7.179 113.401 ( 0.088 -0.091 -0.041) 0.133 ======================= Grid point 335 (64/94) ======================= q-point: (-0.27 0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.398 ( -16.147 23.586 11.869) 30.950 4.038 ( -15.574 36.252 2.622) 39.543 4.738 ( 16.443 -4.282 -2.564) 17.184 4.958 ( 17.282 31.932 -0.709) 36.316 5.577 ( -6.189 -10.178 -2.652) 12.204 6.104 ( -42.063 3.499 -1.295) 42.228 6.367 ( -6.784 3.309 -1.193) 7.641 6.550 ( 13.243 -21.553 -1.903) 25.368 6.695 ( -2.379 -3.638 -2.448) 4.989 7.199 ( 8.339 -6.332 -4.047) 11.225 7.534 ( -9.149 1.312 -4.368) 10.223 8.239 ( -5.369 23.379 -2.510) 24.118 8.498 ( -21.758 36.890 1.410) 42.852 8.777 ( 7.760 -17.207 1.288) 18.920 9.125 ( 5.229 -10.133 -2.514) 11.676 9.577 ( 4.544 -4.969 -1.784) 6.966 9.890 ( 10.616 0.975 4.669) 11.638 10.340 ( -9.782 8.123 3.712) 13.246 10.802 ( -2.002 4.100 0.341) 4.575 11.248 ( 5.071 0.742 -0.216) 5.129 11.469 ( 0.463 -1.696 -0.501) 1.829 11.618 ( 5.080 -7.678 -0.118) 9.208 12.646 ( 10.615 5.225 1.691) 11.952 12.863 ( -6.630 -4.375 2.003) 8.192 13.022 ( 0.618 1.998 -0.560) 2.166 13.154 ( 6.869 -3.746 -0.055) 7.825 13.314 ( -5.188 -8.562 0.588) 10.028 13.653 ( 4.294 -10.930 -0.707) 11.764 13.901 ( 4.278 -11.993 -1.694) 12.846 13.993 ( 7.234 -9.094 -3.390) 12.105 14.488 ( 1.002 -15.111 1.233) 15.195 15.125 ( -4.212 8.350 -1.448) 9.463 15.249 ( -1.434 7.082 -0.208) 7.229 16.075 ( -10.105 6.274 -2.715) 12.200 17.718 ( -1.747 19.512 -2.126) 19.705 17.820 ( -11.633 14.631 -4.368) 19.196 19.121 ( 6.776 -11.579 4.451) 14.135 19.657 ( 11.084 -13.958 -6.642) 19.021 20.216 ( 3.230 -2.613 4.092) 5.831 20.394 ( 2.298 -10.899 1.335) 11.218 21.474 ( 10.972 -15.623 0.572) 19.100 21.974 ( -4.011 4.493 -1.522) 6.212 23.266 ( -15.446 25.548 -2.806) 29.986 24.255 ( 7.917 5.778 3.157) 10.297 24.570 ( -6.290 -5.078 4.749) 9.376 27.560 ( 0.215 3.406 -0.277) 3.424 29.579 ( -7.644 11.764 -1.437) 14.102 30.119 ( -3.464 5.479 -3.173) 7.217 31.012 ( 1.408 -2.595 1.830) 3.474 31.043 ( 1.657 -7.293 1.612) 7.651 110.022 ( 0.108 1.313 -0.071) 1.319 110.060 ( -2.217 1.341 0.158) 2.595 110.356 ( 4.518 -6.147 2.436) 8.009 113.401 ( 0.092 -0.135 -0.038) 0.168 ======================= Grid point 344 (65/94) ======================= q-point: (-0.45 0.55 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.480 ( 23.750 41.136 1.501) 47.523 4.056 ( 4.804 8.320 8.866) 13.073 4.199 ( -0.625 -1.082 0.642) 1.405 5.244 ( -7.055 -12.220 -1.103) 14.154 5.738 ( -1.799 -3.116 -5.990) 6.988 5.889 ( -4.788 -8.292 -0.197) 9.577 6.239 ( -3.865 -6.694 -0.369) 7.739 6.830 ( 3.963 6.864 -4.774) 9.253 6.897 ( 1.811 3.137 -7.827) 8.625 7.740 ( -6.272 -10.864 -2.922) 12.880 8.086 ( 2.360 4.088 -0.894) 4.804 8.134 ( -7.182 -12.439 0.186) 14.364 8.363 ( -2.627 -4.550 2.256) 5.718 8.899 ( 8.358 14.477 -0.414) 16.722 9.141 ( 4.048 7.011 3.725) 8.912 9.257 ( 6.948 12.033 2.361) 14.094 9.608 ( -3.792 -6.568 -3.798) 8.482 10.652 ( -3.629 -6.285 3.283) 7.966 10.700 ( 3.510 6.080 0.561) 7.042 11.058 ( 5.367 9.296 1.840) 10.890 11.358 ( -2.200 -3.810 -1.701) 4.717 11.617 ( -0.011 -0.019 0.854) 0.854 12.373 ( 2.782 4.818 1.310) 5.715 12.895 ( 0.528 0.915 -0.618) 1.224 12.993 ( -0.876 -1.517 -0.363) 1.789 13.196 ( -0.528 -0.915 1.655) 1.963 13.256 ( -0.609 -1.055 0.173) 1.231 13.732 ( -3.122 -5.407 -4.800) 7.875 13.823 ( -4.712 -8.161 -0.404) 9.432 14.019 ( -6.266 -10.853 -0.751) 12.554 14.631 ( -4.973 -8.613 -2.008) 10.146 15.193 ( 1.674 2.900 -1.555) 3.692 15.195 ( 3.797 6.576 0.909) 7.648 16.409 ( -7.039 -12.192 -0.077) 14.078 17.520 ( 12.505 21.659 0.994) 25.029 18.042 ( 3.997 6.923 -6.295) 10.175 19.090 ( -3.389 -5.870 4.136) 7.941 19.296 ( -0.947 -1.640 -4.815) 5.174 20.144 ( 0.148 0.255 1.084) 1.124 20.481 ( -3.755 -6.504 1.644) 7.688 21.254 ( -1.423 -2.464 0.725) 2.937 22.061 ( -0.482 -0.835 -1.673) 1.931 23.664 ( 5.645 9.778 0.828) 11.321 23.828 ( 2.550 4.418 2.025) 5.488 24.770 ( -3.037 -5.260 4.157) 7.360 27.503 ( 2.001 3.467 -0.118) 4.005 29.735 ( 1.919 3.324 0.013) 3.839 30.112 ( 0.437 0.757 0.621) 1.072 31.008 ( -1.750 -3.031 1.476) 3.798 31.100 ( -1.757 -3.043 -1.478) 3.812 110.011 ( 0.387 0.671 -0.062) 0.777 110.144 ( -0.189 -0.327 0.688) 0.785 110.240 ( -0.520 -0.900 1.217) 1.600 113.400 ( -0.014 -0.024 -0.047) 0.054 ======================= Grid point 346 (66/94) ======================= q-point: (-0.36 0.55 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.901 ( -15.642 22.024 5.776) 27.624 4.367 ( 20.901 -4.641 -0.060) 21.411 4.539 ( 8.459 45.157 2.934) 46.036 4.978 ( -0.615 0.479 -0.767) 1.094 5.564 ( -7.076 -0.056 -2.687) 7.569 5.947 ( 18.504 -18.021 -0.901) 25.845 6.108 ( 2.646 -17.955 -0.498) 18.156 6.809 ( -14.347 9.474 -6.025) 18.217 7.009 ( 2.955 -1.047 -6.196) 6.944 7.369 ( -39.465 7.423 -0.010) 40.157 7.706 ( -9.435 0.148 -3.429) 10.040 8.221 ( 20.544 -27.724 1.708) 34.548 8.475 ( 5.706 9.674 -0.252) 11.234 9.057 ( -6.820 10.151 -1.211) 12.289 9.155 ( -12.685 13.427 1.009) 18.499 9.496 ( 5.894 0.678 -2.056) 6.279 9.664 ( 16.411 4.517 3.092) 17.300 10.521 ( -6.414 -0.352 4.103) 7.622 10.854 ( 3.640 7.712 0.830) 8.569 11.200 ( 0.630 3.545 -0.387) 3.621 11.331 ( 7.500 -5.724 -1.059) 9.494 11.585 ( -2.972 -1.843 0.504) 3.533 12.528 ( 8.133 6.369 1.851) 10.495 12.914 ( -2.107 -0.635 0.320) 2.223 12.971 ( 3.111 -1.826 -0.381) 3.627 13.119 ( -4.630 -1.708 0.275) 4.943 13.263 ( 2.758 -6.612 0.367) 7.173 13.557 ( -6.382 -9.719 0.082) 11.627 13.666 ( 3.570 -13.315 -2.562) 14.021 13.866 ( -1.974 -9.294 -3.464) 10.113 14.415 ( -5.888 -12.075 0.148) 13.435 15.246 ( -0.911 6.019 -1.412) 6.249 15.305 ( 1.641 4.813 -0.329) 5.096 16.237 ( -5.142 -0.350 -1.398) 5.340 17.902 ( 5.365 21.662 2.048) 22.410 18.163 ( -4.828 17.405 -6.460) 19.183 18.948 ( -1.614 -11.047 3.872) 11.817 19.297 ( 9.161 -14.627 -6.252) 18.357 20.160 ( 2.018 -0.557 2.236) 3.063 20.334 ( -4.276 -7.437 2.885) 9.051 21.227 ( 3.663 -7.468 0.676) 8.346 22.051 ( -1.223 1.849 -1.829) 2.874 23.730 ( -11.380 21.147 -0.006) 24.014 24.077 ( 16.801 2.436 2.483) 17.157 24.623 ( -6.516 -7.862 4.170) 11.030 27.582 ( 1.789 4.302 -0.311) 4.670 29.784 ( -3.154 8.748 0.020) 9.299 30.136 ( 2.042 -0.701 1.032) 2.393 30.944 ( -0.982 -4.097 0.722) 4.275 31.027 ( -1.947 -4.017 -0.418) 4.483 110.029 ( 0.524 1.304 -0.013) 1.406 110.118 ( -2.729 1.069 0.478) 2.970 110.240 ( 2.802 -3.906 1.283) 4.975 113.399 ( 0.023 -0.065 -0.047) 0.084 ======================= Grid point 347 (67/94) ======================= q-point: (-0.27 0.55 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.863 ( -13.238 22.929 6.030) 27.154 4.562 ( 5.511 -9.545 -1.469) 11.119 4.574 ( -10.075 17.450 1.437) 20.201 5.215 ( 2.391 -4.141 -0.959) 4.877 5.769 ( -0.531 0.920 0.265) 1.095 5.953 ( 9.055 -15.684 -0.581) 18.120 6.141 ( -1.650 2.858 -1.940) 3.828 6.395 ( -9.164 15.872 -0.345) 18.330 6.977 ( -8.848 15.325 -4.819) 18.341 7.109 ( 0.983 -1.702 -4.442) 4.857 7.664 ( -5.689 9.853 -4.941) 12.404 8.251 ( 19.990 -34.624 2.337) 40.048 8.637 ( -6.617 11.461 -1.311) 13.299 8.950 ( 3.817 -6.612 -2.957) 8.187 9.118 ( -15.318 26.532 2.175) 30.714 9.562 ( -2.762 4.783 -2.630) 6.117 9.884 ( 2.347 -4.065 5.002) 6.860 10.447 ( -1.381 2.391 3.577) 4.519 10.932 ( -4.918 8.519 0.692) 9.861 11.196 ( 2.375 -4.114 -1.766) 5.068 11.435 ( 5.385 -9.327 0.884) 10.806 11.504 ( -1.575 2.728 -0.538) 3.196 12.723 ( 1.273 -2.206 2.727) 3.731 12.785 ( -0.909 1.574 0.512) 1.888 13.032 ( 2.726 -4.722 -0.562) 5.481 13.076 ( -0.308 0.533 -0.353) 0.710 13.203 ( 1.790 -3.100 0.415) 3.604 13.472 ( 3.619 -6.269 1.094) 7.321 13.645 ( 6.748 -11.689 -3.060) 13.839 13.777 ( 6.713 -11.628 -3.909) 13.984 14.290 ( 2.813 -4.873 0.758) 5.677 15.270 ( -3.343 5.791 -1.404) 6.832 15.342 ( -1.495 2.590 -0.838) 3.105 16.199 ( -3.100 5.369 -1.677) 6.423 18.077 ( -9.069 15.708 3.144) 18.409 18.198 ( -12.950 22.430 -7.402) 26.938 18.871 ( 7.532 -13.046 4.096) 15.611 19.303 ( 11.793 -20.425 -7.399) 24.719 20.202 ( 0.216 -0.374 4.289) 4.311 20.228 ( 2.931 -5.077 2.245) 6.277 21.223 ( 5.297 -9.174 0.658) 10.614 22.051 ( -1.677 2.904 -2.040) 3.925 23.737 ( -12.597 21.818 -0.467) 25.198 24.328 ( 0.760 -1.316 2.557) 2.974 24.437 ( 3.363 -5.824 4.369) 8.020 27.622 ( -1.474 2.554 -0.418) 2.978 29.800 ( -6.012 10.414 -0.037) 12.025 30.153 ( 1.156 -2.002 1.185) 2.598 30.913 ( 1.698 -2.940 -0.010) 3.395 30.985 ( 1.491 -2.582 0.528) 3.028 110.046 ( -0.538 0.931 0.030) 1.076 110.093 ( -1.234 2.137 0.338) 2.491 110.246 ( 2.825 -4.894 1.360) 5.812 113.399 ( 0.044 -0.076 -0.047) 0.100 ======================= Grid point 358 (68/94) ======================= q-point: (-0.36 0.64 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.216 ( 1.498 2.595 -1.210) 3.231 4.357 ( 7.482 12.959 4.129) 15.523 4.710 ( -8.237 -14.268 0.669) 16.488 5.311 ( 10.081 17.461 1.033) 20.189 5.524 ( -1.810 -3.136 -1.062) 3.774 5.748 ( -9.586 -16.604 0.187) 19.174 6.189 ( 21.966 38.047 -1.713) 43.966 6.805 ( -6.312 -10.933 -6.101) 14.021 7.066 ( 4.521 7.831 -5.006) 10.335 7.420 ( -8.007 -13.869 0.761) 16.033 7.542 ( -11.909 -20.627 2.246) 23.923 7.798 ( 3.103 5.375 -5.301) 8.162 8.677 ( 4.995 8.652 -1.254) 10.068 8.910 ( -7.040 -12.194 -2.565) 14.312 9.542 ( 6.958 12.051 3.724) 14.405 9.587 ( 4.564 7.905 -1.875) 9.318 9.756 ( 1.075 1.862 3.175) 3.834 10.465 ( -2.058 -3.564 3.054) 5.125 11.049 ( 5.794 10.035 1.106) 11.640 11.176 ( -1.929 -3.342 -2.562) 4.632 11.273 ( -1.821 -3.153 1.566) 3.964 11.550 ( -0.424 -0.734 -0.287) 0.895 12.666 ( 4.072 7.054 1.788) 8.339 12.833 ( -4.535 -7.855 0.974) 9.123 12.967 ( 1.174 2.033 -0.240) 2.360 13.100 ( 0.213 0.369 -0.586) 0.725 13.161 ( -2.027 -3.511 -0.274) 4.063 13.424 ( -2.187 -3.787 4.298) 6.132 13.508 ( -0.686 -1.189 -5.184) 5.362 13.645 ( -6.282 -10.881 -4.299) 13.279 14.249 ( -2.370 -4.105 0.325) 4.751 15.335 ( 1.550 2.685 -1.373) 3.391 15.361 ( 0.592 1.025 -1.005) 1.553 16.256 ( 0.637 1.104 -1.456) 1.935 18.284 ( 9.310 16.125 3.571) 18.959 18.504 ( 7.703 13.342 -4.094) 15.941 18.711 ( -5.812 -10.066 1.049) 11.670 18.996 ( -8.382 -14.517 -7.400) 18.324 20.163 ( 0.587 1.018 2.970) 3.194 20.215 ( -2.442 -4.230 3.903) 6.252 21.130 ( -1.377 -2.385 0.581) 2.814 22.080 ( 0.512 0.887 -2.349) 2.562 24.106 ( 5.545 9.605 0.640) 11.109 24.124 ( 5.239 9.074 2.878) 10.866 24.419 ( -7.371 -12.768 3.489) 15.150 27.649 ( 1.159 2.007 -0.476) 2.366 29.941 ( 3.766 6.523 1.051) 7.605 30.092 ( -1.989 -3.444 1.873) 4.396 30.897 ( -0.185 -0.320 -0.099) 0.382 30.947 ( -1.996 -3.458 -0.151) 3.996 110.055 ( 0.584 1.011 0.082) 1.170 110.133 ( 0.292 0.505 0.565) 0.813 110.178 ( -1.179 -2.042 0.820) 2.497 113.398 ( -0.013 -0.023 -0.049) 0.056 ======================= Grid point 399 (69/94) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 94 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 0.000 -0.000 5.713) 5.713 1.025 ( -0.000 0.000 5.713) 5.713 2.883 ( 0.000 0.000 18.567) 18.567 3.603 ( -0.000 0.000 -1.530) 1.530 3.603 ( 0.000 0.000 -1.530) 1.530 3.701 ( -0.000 0.000 0.058) 0.058 6.045 ( 0.000 0.000 -0.828) 0.828 6.045 ( 0.000 -0.000 -0.828) 0.828 6.481 ( 0.000 -0.000 -8.318) 8.318 7.650 ( 0.000 -0.000 -3.433) 3.433 7.650 ( 0.000 0.000 -3.433) 3.433 8.846 ( 0.000 -0.000 0.120) 0.120 8.846 ( 0.000 -0.000 0.120) 0.120 9.504 ( 0.000 -0.000 1.905) 1.905 9.504 ( 0.000 0.000 1.905) 1.905 9.893 ( 0.000 0.000 2.894) 2.894 10.362 ( 0.000 0.000 0.296) 0.296 10.631 ( 0.000 0.000 -6.065) 6.065 10.783 ( 0.000 -0.000 0.734) 0.734 10.783 ( 0.000 0.000 0.734) 0.734 11.602 ( -0.000 0.000 -1.920) 1.920 11.986 ( 0.000 -0.000 -0.664) 0.664 11.986 ( 0.000 -0.000 -0.664) 0.664 12.645 ( -0.000 -0.000 0.023) 0.023 12.645 ( -0.000 0.000 0.023) 0.023 13.077 ( 0.000 -0.000 -0.095) 0.095 13.077 ( 0.000 -0.000 -0.095) 0.095 13.982 ( 0.000 0.000 5.784) 5.784 13.982 ( 0.000 -0.000 5.784) 5.784 14.164 ( 0.000 -0.000 1.510) 1.510 14.280 ( 0.000 -0.000 -4.909) 4.909 14.280 ( 0.000 -0.000 -4.909) 4.909 14.474 ( 0.000 -0.000 0.141) 0.141 17.813 ( 0.000 -0.000 0.476) 0.476 17.813 ( 0.000 0.000 0.476) 0.476 17.889 ( 0.000 -0.000 1.405) 1.405 19.641 ( 0.000 -0.000 -0.192) 0.192 19.641 ( 0.000 -0.000 -0.192) 0.192 19.945 ( 0.000 -0.000 -0.546) 0.546 21.272 ( 0.000 0.000 -0.559) 0.559 21.272 ( 0.000 0.000 -0.559) 0.559 22.037 ( 0.000 0.000 0.526) 0.526 23.561 ( 0.000 -0.000 0.251) 0.251 23.561 ( 0.000 -0.000 0.251) 0.251 23.981 ( 0.000 0.000 1.958) 1.958 27.510 ( 0.000 -0.000 0.001) 0.001 27.510 ( 0.000 0.000 0.001) 0.001 28.336 ( -0.000 0.000 -2.026) 2.026 30.835 ( 0.000 -0.000 0.523) 0.523 32.591 ( 0.000 0.000 -0.104) 0.104 109.954 ( 0.000 -0.000 -0.135) 0.135 109.954 ( 0.000 0.000 -0.135) 0.135 111.365 ( 0.000 0.000 -0.180) 0.180 113.421 ( 0.000 -0.000 -0.053) 0.053 ======================= Grid point 400 (70/94) ======================= q-point: ( 0.09 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 24.427 24.084 4.652) 34.617 2.040 ( 66.863 32.180 2.614) 74.250 2.784 ( -3.252 -0.134 15.083) 15.430 3.646 ( 3.050 -0.915 -1.065) 3.357 4.000 ( 29.483 12.120 0.172) 31.877 4.149 ( 37.898 27.263 0.189) 46.686 5.906 ( -10.885 -5.342 -1.918) 12.276 6.044 ( 0.122 -0.458 -0.941) 1.054 6.562 ( 6.304 3.417 -5.579) 9.085 7.581 ( -6.112 -2.979 -3.428) 7.615 7.654 ( 0.450 -0.455 -3.424) 3.484 8.849 ( -0.103 -0.332 0.112) 0.365 8.951 ( 2.931 2.210 -0.229) 3.678 9.237 ( -15.825 -8.173 1.477) 17.872 9.385 ( -9.424 -6.970 1.299) 11.794 9.866 ( -6.692 -3.333 1.687) 7.664 10.175 ( -12.383 -6.418 0.803) 13.971 10.589 ( -0.504 -2.071 -2.645) 3.397 10.784 ( -1.713 0.071 0.561) 1.804 10.865 ( 5.701 3.187 -0.905) 6.593 11.597 ( -0.055 -0.405 0.271) 0.490 12.002 ( 0.255 0.782 -0.668) 1.060 12.164 ( 13.340 6.671 -1.357) 14.976 12.659 ( 1.201 0.699 0.115) 1.394 12.946 ( 18.744 10.012 -2.740) 21.426 13.065 ( -1.164 0.496 -0.132) 1.272 13.259 ( 19.599 11.229 -2.353) 22.710 13.911 ( -6.689 -6.262 3.828) 9.930 14.030 ( 2.772 2.304 5.823) 6.849 14.127 ( 1.890 4.127 -1.469) 4.771 14.276 ( -0.452 0.799 -5.158) 5.239 14.454 ( 7.976 3.339 -0.161) 8.648 14.483 ( 4.577 1.670 -0.284) 4.881 17.320 ( -37.848 -21.037 5.150) 43.607 17.700 ( -10.488 -6.057 -2.454) 12.358 17.742 ( -5.764 -3.485 0.297) 6.742 19.661 ( 2.057 0.074 -0.239) 2.072 19.880 ( -4.052 -2.764 0.906) 4.988 20.187 ( 35.656 21.839 -3.026) 41.922 21.182 ( -7.810 -4.193 -0.509) 8.879 21.298 ( 0.972 0.618 -0.620) 1.308 21.916 ( -7.629 -5.262 0.575) 9.285 23.222 ( -22.036 -12.316 0.130) 25.244 23.687 ( 9.970 5.331 0.427) 11.314 24.217 ( 12.987 7.930 2.094) 15.360 27.506 ( -0.260 -0.223 -0.001) 0.342 27.900 ( 30.902 17.905 -3.143) 35.852 28.452 ( 9.802 5.579 -1.980) 11.450 30.857 ( 1.881 1.102 0.547) 2.248 32.422 ( -13.991 -8.046 0.985) 16.170 109.959 ( 0.406 0.233 -0.127) 0.485 109.960 ( 0.523 0.300 -0.134) 0.617 111.242 ( -9.906 -5.718 1.068) 11.488 113.419 ( -0.194 -0.112 -0.029) 0.226 ======================= Grid point 401 (71/94) ======================= q-point: ( 0.18 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 27.054 21.226 2.708) 34.494 2.827 ( 8.135 5.079 14.859) 17.685 3.532 ( 60.974 36.223 -0.935) 70.928 3.725 ( 8.630 1.000 -0.949) 8.740 4.830 ( 43.759 22.734 0.087) 49.312 5.174 ( 37.760 22.624 -0.224) 44.020 5.693 ( 0.659 2.256 -1.415) 2.743 6.038 ( -0.417 -0.232 -1.222) 1.311 6.737 ( 9.139 4.629 -3.383) 10.789 7.400 ( -9.199 -5.400 -3.300) 11.166 7.640 ( -1.865 -1.494 -3.027) 3.857 8.499 ( -31.910 -18.110 0.387) 36.693 8.735 ( -16.518 -9.133 0.013) 18.875 9.037 ( -5.601 -3.195 0.080) 6.449 9.401 ( 11.024 5.984 0.744) 12.565 9.669 ( -7.127 -4.881 0.427) 8.649 9.935 ( -8.804 -3.985 0.896) 9.705 10.488 ( -8.457 -5.425 -0.411) 10.056 10.779 ( 1.213 0.919 1.290) 1.995 11.005 ( 6.005 3.179 -1.134) 6.888 11.589 ( -0.487 -0.386 0.589) 0.857 11.975 ( -3.617 -1.489 -0.541) 3.949 12.467 ( 11.912 5.603 -0.012) 13.164 12.708 ( 4.117 2.472 0.525) 4.831 12.993 ( -3.387 -1.768 0.459) 3.848 13.247 ( 8.228 3.338 -1.039) 8.940 13.698 ( -7.772 -6.026 1.256) 9.914 13.909 ( 18.168 11.497 -5.374) 22.161 14.052 ( 4.992 2.601 0.602) 5.661 14.226 ( 1.038 4.732 -0.259) 4.852 14.344 ( 5.800 5.349 -2.855) 8.391 14.558 ( 10.261 2.798 -0.621) 10.654 14.759 ( 16.048 8.110 0.175) 17.982 16.444 ( -37.282 -19.512 3.293) 42.208 17.454 ( -8.678 -5.619 -2.009) 10.531 17.577 ( -7.849 -4.779 0.066) 9.190 19.670 ( -3.500 -2.695 0.149) 4.420 19.776 ( -1.356 -1.318 0.631) 1.994 20.894 ( -4.167 -1.205 0.475) 4.364 21.026 ( 10.380 8.471 -2.976) 13.724 21.256 ( 3.722 0.761 -1.621) 4.130 21.853 ( 6.299 1.418 0.230) 6.460 22.691 ( -23.877 -13.556 -0.150) 27.457 23.934 ( 10.442 6.216 0.832) 12.180 24.479 ( 9.383 6.055 2.316) 11.405 27.498 ( -0.426 -0.275 -0.011) 0.507 28.686 ( 27.288 15.642 -4.656) 31.796 28.778 ( 25.074 14.325 -3.381) 29.075 30.918 ( 3.277 1.951 0.589) 3.859 32.018 ( -20.085 -11.499 2.445) 23.272 109.971 ( 0.604 0.338 -0.115) 0.701 109.978 ( 1.131 0.655 -0.103) 1.311 110.969 ( -12.980 -7.489 2.294) 15.160 113.413 ( -0.273 -0.158 -0.005) 0.315 ======================= Grid point 402 (72/94) ======================= q-point: ( 0.27 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 17.277 13.416 1.811) 21.949 3.104 ( 15.475 9.132 11.120) 21.131 3.969 ( 17.724 9.211 -0.808) 19.991 4.843 ( 48.816 27.558 -1.747) 56.084 5.198 ( -10.611 -4.989 -1.239) 11.791 5.750 ( 24.656 14.022 -1.235) 28.391 6.099 ( 17.369 9.989 -0.853) 20.055 6.538 ( 41.879 24.108 -0.108) 48.323 6.962 ( 13.199 7.078 -2.075) 15.120 7.234 ( -1.609 -3.272 -2.373) 4.351 7.469 ( -17.954 -8.506 -1.439) 19.919 7.791 ( -24.198 -14.318 -0.386) 28.119 8.248 ( -19.626 -10.603 -0.841) 22.323 9.017 ( 0.215 0.041 0.064) 0.228 9.405 ( -8.751 -6.146 0.465) 10.703 9.638 ( -1.896 -1.213 0.765) 2.377 9.883 ( 4.780 3.128 0.482) 5.733 10.265 ( -8.060 -4.278 -0.135) 9.126 10.825 ( 2.755 1.163 1.655) 3.418 11.088 ( 0.826 0.398 -0.322) 0.972 11.578 ( -0.368 -0.266 0.023) 0.455 11.844 ( -8.276 -4.158 -0.379) 9.270 12.571 ( -1.139 -0.746 0.420) 1.425 12.892 ( 7.652 4.474 1.330) 8.963 12.936 ( 1.229 0.110 0.251) 1.259 13.279 ( -5.172 -3.734 -0.639) 6.411 13.561 ( -2.150 -2.977 -0.008) 3.673 13.872 ( -5.579 -2.885 0.310) 6.288 14.159 ( -2.301 0.040 -1.728) 2.878 14.289 ( -2.176 0.386 -0.641) 2.301 14.629 ( 13.898 9.290 -1.763) 16.810 14.809 ( 10.730 4.083 -0.223) 11.483 15.098 ( 4.843 2.207 0.195) 5.325 15.874 ( -4.806 -0.767 -1.600) 5.123 17.360 ( 0.386 -1.332 -0.827) 1.615 17.418 ( -3.975 -2.003 -1.193) 4.609 19.493 ( -9.426 -5.536 1.064) 10.983 19.791 ( 0.355 -0.916 -0.346) 1.042 20.583 ( -15.331 -8.049 0.884) 17.338 20.847 ( -14.238 -7.043 -0.618) 15.897 21.684 ( 13.247 7.646 -1.466) 15.365 22.093 ( -6.486 -3.922 -1.048) 7.652 22.295 ( 12.583 5.878 -0.496) 13.897 24.115 ( 4.193 2.972 1.288) 5.298 24.665 ( 6.643 4.551 2.152) 8.335 27.487 ( -0.518 -0.294 -0.023) 0.596 29.082 ( 15.687 8.694 -1.591) 18.006 29.494 ( 27.947 15.997 -4.968) 32.583 30.999 ( 3.561 2.167 0.561) 4.206 31.568 ( -18.479 -10.516 2.500) 21.408 109.984 ( 0.589 0.325 -0.086) 0.678 110.012 ( 1.882 1.088 -0.042) 2.175 110.687 ( -11.398 -6.573 2.023) 13.312 113.407 ( -0.251 -0.146 -0.007) 0.291 ======================= Grid point 403 (73/94) ======================= q-point: ( 0.36 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.955 ( 6.163 5.271 1.081) 8.182 3.507 ( 19.283 11.144 7.527) 23.509 4.497 ( 26.001 14.783 -0.401) 29.912 4.842 ( -13.434 -6.629 -1.103) 15.021 5.676 ( 4.468 3.324 -2.567) 6.132 5.996 ( 24.443 14.612 -1.835) 28.536 6.685 ( -8.937 -5.623 -1.271) 10.635 6.844 ( -25.611 -15.032 -0.477) 29.701 6.947 ( 34.957 19.681 -1.034) 40.130 7.084 ( -15.507 -9.275 -2.444) 18.233 7.586 ( 19.182 9.458 0.601) 21.395 7.905 ( 38.500 23.321 0.737) 45.018 8.015 ( -1.670 -1.107 -1.589) 2.557 8.960 ( -6.009 -3.631 0.084) 7.021 9.120 ( -15.163 -9.066 -0.121) 17.667 9.566 ( -3.071 -2.325 1.097) 4.005 9.812 ( -10.495 -6.003 0.270) 12.093 10.327 ( 10.418 6.168 0.021) 12.107 10.888 ( 3.151 0.397 1.580) 3.547 11.036 ( -5.515 -2.072 0.144) 5.893 11.576 ( 0.621 0.270 0.043) 0.678 11.628 ( -10.392 -5.550 -0.368) 11.787 12.485 ( -5.668 -2.772 0.606) 6.339 12.903 ( -0.235 -0.470 0.100) 0.535 13.080 ( -0.478 0.967 1.513) 1.858 13.128 ( -0.470 -1.911 -0.789) 2.121 13.458 ( -6.047 -4.550 -0.330) 7.575 13.805 ( -0.577 -0.909 -0.185) 1.092 14.024 ( -10.537 -6.149 -1.879) 12.344 14.231 ( -2.542 0.165 -0.065) 2.549 14.763 ( -5.507 -1.539 -0.758) 5.768 14.972 ( 7.642 4.308 0.318) 8.778 15.067 ( 3.199 2.254 -0.143) 3.916 16.206 ( 20.816 11.266 -1.590) 23.723 17.277 ( -3.377 -2.789 0.013) 4.380 17.560 ( 11.987 6.431 -2.371) 13.809 19.284 ( -8.124 -4.618 1.068) 9.405 19.672 ( -10.913 -7.540 -0.824) 13.290 20.305 ( -8.943 -4.481 1.108) 10.064 20.601 ( -6.460 -3.119 -0.356) 7.183 21.621 ( -15.318 -8.938 0.198) 17.736 21.963 ( 3.991 2.822 -1.117) 5.014 22.887 ( 27.743 15.051 -0.638) 31.569 24.111 ( -5.034 -2.360 1.454) 5.747 24.803 ( 4.758 3.574 1.855) 6.233 27.475 ( -0.473 -0.249 -0.024) 0.535 29.412 ( 13.317 7.257 -0.879) 15.191 29.968 ( 13.238 7.410 -2.166) 15.324 31.069 ( 2.164 1.417 0.385) 2.615 31.224 ( -10.940 -6.145 1.320) 12.617 109.996 ( 0.419 0.226 -0.054) 0.479 110.065 ( 2.793 1.611 0.065) 3.226 110.459 ( -8.565 -4.936 1.260) 9.965 113.402 ( -0.172 -0.100 -0.015) 0.199 ======================= Grid point 404 (74/94) ======================= q-point: ( 0.45 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( 1.268 1.464 0.736) 2.071 3.958 ( 19.590 11.719 4.423) 23.252 4.411 ( -18.193 -9.835 0.848) 20.699 5.210 ( 25.797 15.509 -0.152) 30.101 5.641 ( -1.147 0.968 -3.681) 3.975 6.190 ( -26.602 -15.325 -0.151) 30.701 6.357 ( -8.643 -4.772 -0.307) 9.878 6.540 ( 14.368 7.454 -2.496) 16.378 6.814 ( -8.604 -5.988 -3.101) 10.932 7.711 ( 25.197 13.721 -1.136) 28.714 7.972 ( 2.319 1.977 -0.134) 3.050 8.070 ( 16.779 9.696 -0.525) 19.387 8.642 ( -7.130 -5.022 1.098) 8.790 8.749 ( -1.439 -1.763 0.768) 2.401 8.863 ( 13.602 8.623 0.085) 16.105 9.369 ( -17.059 -10.852 2.117) 20.328 9.642 ( -1.981 -0.602 -1.561) 2.593 10.564 ( 9.522 5.070 0.288) 10.791 10.816 ( -8.099 -6.718 0.478) 10.533 10.994 ( 1.355 2.850 1.360) 3.437 11.420 ( -6.571 -3.268 -0.559) 7.360 11.613 ( 1.856 0.663 0.369) 2.005 12.371 ( -3.682 -1.343 0.491) 3.950 12.882 ( -1.080 -0.865 -0.225) 1.402 13.008 ( -1.426 -0.555 -0.281) 1.556 13.195 ( 3.334 1.376 0.955) 3.731 13.314 ( -5.430 -3.592 0.182) 6.513 13.738 ( -4.867 -3.467 -1.899) 6.270 13.852 ( -1.028 -1.491 -0.899) 2.022 14.210 ( -1.129 1.128 -0.046) 1.596 14.683 ( -2.181 0.670 -1.494) 2.727 15.115 ( 3.701 2.533 0.341) 4.498 15.140 ( 1.457 1.118 -0.235) 1.852 16.559 ( 9.452 3.538 0.393) 10.100 17.222 ( -0.976 -0.946 -0.179) 1.371 17.823 ( 8.644 4.289 -2.405) 9.945 19.179 ( 0.436 0.261 0.667) 0.838 19.350 ( -13.152 -8.278 -0.534) 15.550 20.169 ( -3.261 -1.994 0.408) 3.844 20.566 ( 0.728 1.173 0.208) 1.396 21.336 ( -7.607 -4.331 0.289) 8.758 22.042 ( 1.707 1.416 -0.873) 2.383 23.434 ( 19.441 10.750 0.343) 22.218 23.912 ( -11.688 -6.385 1.067) 13.362 24.886 ( 1.552 1.821 1.727) 2.951 27.468 ( -0.207 -0.088 -0.018) 0.225 29.652 ( 6.997 3.563 -0.186) 7.854 30.103 ( 0.704 0.169 -0.168) 0.743 31.078 ( -1.319 -0.602 0.928) 1.721 31.108 ( -0.318 0.002 -0.630) 0.706 110.003 ( 0.155 0.073 -0.034) 0.175 110.136 ( 3.061 1.760 0.242) 3.539 110.301 ( -4.970 -2.855 0.676) 5.771 113.399 ( -0.060 -0.036 -0.020) 0.073 ======================= Grid point 411 (75/94) ======================= q-point: ( 0.09 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 21.465 37.178 -3.829) 43.100 2.754 ( 5.883 10.190 15.838) 19.731 3.094 ( 32.020 55.461 0.439) 64.042 3.947 ( 10.189 17.647 2.262) 20.502 4.156 ( 13.341 23.108 1.234) 26.711 5.049 ( 28.325 49.061 -0.570) 56.654 5.753 ( -3.010 -5.213 -3.250) 6.840 6.033 ( -0.385 -0.667 -0.849) 1.146 6.681 ( 4.730 8.193 -3.317) 10.025 7.429 ( -6.756 -11.702 -3.405) 13.935 7.676 ( 1.260 2.182 -2.814) 3.777 8.731 ( -10.663 -18.470 0.093) 21.327 8.812 ( -14.236 -24.657 -0.054) 28.472 8.967 ( -4.028 -6.976 0.197) 8.058 9.395 ( 6.850 11.865 1.005) 13.738 9.705 ( -6.466 -11.199 0.966) 12.968 10.052 ( -3.361 -5.822 0.052) 6.723 10.479 ( -4.134 -7.160 0.802) 8.306 10.778 ( -1.620 -2.805 -0.298) 3.253 10.987 ( 5.299 9.178 -0.740) 10.624 11.580 ( -0.822 -1.424 0.977) 1.913 12.009 ( -0.656 -1.137 -1.227) 1.797 12.380 ( 8.023 13.896 1.026) 16.079 12.683 ( 1.012 1.753 0.140) 2.029 13.056 ( -0.801 -1.387 -0.738) 1.763 13.131 ( 3.711 6.428 1.223) 7.522 13.725 ( 16.570 28.700 -7.618) 34.004 13.750 ( -5.642 -9.772 2.769) 11.618 14.109 ( 3.389 5.869 4.161) 7.953 14.219 ( 2.245 3.888 -3.272) 5.555 14.284 ( 0.522 0.904 -7.186) 7.261 14.527 ( 4.728 8.189 1.524) 9.577 14.644 ( 7.138 12.363 1.992) 14.414 16.687 ( -21.917 -37.962 2.457) 43.904 17.496 ( -7.160 -12.401 -2.049) 14.465 17.638 ( -3.591 -6.219 0.659) 7.212 19.687 ( 1.267 2.194 0.655) 2.617 19.776 ( -4.152 -7.192 1.169) 8.387 20.817 ( 20.216 35.015 -4.840) 40.720 21.015 ( -7.067 -12.241 -0.718) 14.152 21.277 ( -2.485 -4.304 -0.725) 5.022 21.819 ( 0.019 0.033 2.176) 2.176 22.834 ( -14.070 -24.370 -0.286) 28.141 23.877 ( 7.082 12.266 0.622) 14.177 24.420 ( 6.029 10.443 1.762) 12.187 27.502 ( -0.092 -0.159 0.022) 0.185 28.490 ( 21.676 37.544 -5.833) 43.743 28.653 ( 8.060 13.959 -1.673) 16.206 30.898 ( 1.717 2.975 0.538) 3.477 32.139 ( -11.128 -19.274 2.084) 22.354 109.969 ( 0.398 0.689 -0.105) 0.802 109.970 ( 0.478 0.829 -0.123) 0.965 111.048 ( -7.385 -12.791 2.124) 14.922 113.415 ( -0.152 -0.264 -0.008) 0.305 ======================= Grid point 412 (76/94) ======================= q-point: ( 0.18 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( 11.848 39.439 -2.573) 41.261 2.983 ( 12.980 12.039 10.638) 20.654 3.984 ( -1.026 30.332 0.921) 30.363 4.438 ( 38.408 43.026 0.428) 57.677 5.007 ( 53.837 8.565 1.671) 54.539 5.321 ( -7.865 -7.703 -3.160) 11.453 6.009 ( -0.417 -1.713 -1.763) 2.493 6.353 ( 31.103 50.402 -0.439) 59.228 6.879 ( 8.231 10.635 -1.604) 13.544 7.163 ( -6.153 -16.568 -1.862) 17.772 7.708 ( -5.314 7.232 -2.737) 9.383 8.077 ( -29.596 -24.157 -0.183) 38.204 8.286 ( -12.040 -33.251 -0.968) 35.377 8.953 ( 3.223 -2.787 0.037) 4.261 9.489 ( -7.217 -6.355 1.732) 9.771 9.682 ( 5.385 12.122 1.232) 13.322 9.931 ( -5.937 1.776 -0.910) 6.264 10.310 ( -5.119 -10.716 0.648) 11.894 10.741 ( 2.132 -3.332 0.914) 4.060 11.143 ( 1.237 8.607 -0.092) 8.696 11.549 ( 0.290 -3.146 0.234) 3.168 11.934 ( -5.551 -3.448 -1.183) 6.641 12.614 ( 1.249 8.742 1.420) 8.945 12.761 ( 8.717 2.448 0.865) 9.095 12.994 ( -5.007 1.286 0.027) 5.170 13.238 ( 5.330 -3.067 1.646) 6.366 13.548 ( -5.733 -9.198 1.601) 10.957 13.937 ( -3.022 -2.881 -0.779) 4.247 14.175 ( -1.899 -0.527 -2.803) 3.427 14.259 ( 0.833 -3.372 -3.087) 4.647 14.502 ( 13.340 13.828 -4.074) 19.641 14.804 ( 5.726 19.461 1.623) 20.350 14.956 ( 15.933 10.694 1.018) 19.216 15.985 ( -18.948 -23.814 -2.309) 30.520 17.309 ( -1.856 -6.184 -1.414) 6.609 17.532 ( -4.482 0.581 0.711) 4.575 19.591 ( -8.364 -6.179 1.296) 10.479 19.744 ( 2.811 -1.409 0.891) 3.268 20.722 ( -11.861 -12.325 -0.577) 17.115 20.960 ( -10.191 -12.649 -2.402) 16.420 21.539 ( 16.088 17.982 -1.665) 24.186 22.028 ( 13.931 18.929 1.221) 23.534 22.335 ( -15.640 -21.070 -0.296) 26.242 24.108 ( 5.255 10.446 0.439) 11.701 24.596 ( 5.755 4.868 1.542) 7.694 27.501 ( -0.363 0.701 -0.033) 0.790 28.961 ( 11.310 14.096 -1.261) 18.117 29.235 ( 25.007 26.857 -5.687) 37.135 30.968 ( 2.744 2.885 0.487) 4.012 31.722 ( -14.958 -17.460 2.500) 23.127 109.983 ( 0.336 0.889 -0.074) 0.953 109.995 ( 1.327 0.989 -0.077) 1.657 110.782 ( -9.242 -10.667 2.226) 14.288 113.409 ( -0.203 -0.236 -0.004) 0.311 ======================= Grid point 413 (77/94) ======================= q-point: ( 0.27 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( 3.602 28.933 1.423) 29.191 3.423 ( 7.622 30.690 4.943) 32.007 4.257 ( 11.036 19.817 0.797) 22.697 4.988 ( -10.707 -8.311 -3.481) 13.994 5.557 ( 29.078 30.344 -0.989) 42.039 5.803 ( 14.794 0.876 -2.790) 15.081 6.209 ( 43.317 3.313 -0.224) 43.444 6.793 ( -5.973 -7.748 -0.577) 9.800 6.971 ( -4.795 -14.185 -0.304) 14.977 7.252 ( -14.593 -7.534 -1.162) 16.464 7.483 ( 7.159 16.008 0.553) 17.545 7.753 ( 6.764 14.229 -0.153) 15.756 7.981 ( 4.100 -0.936 -2.312) 4.800 8.969 ( 1.381 -4.407 -0.127) 4.621 9.266 ( -11.041 -8.956 1.376) 14.283 9.649 ( -8.920 -0.184 0.292) 8.927 9.936 ( -7.822 0.200 1.196) 7.915 10.234 ( 7.389 3.515 -0.022) 8.183 10.778 ( 4.756 -2.762 1.694) 5.755 11.180 ( -5.146 6.082 -0.015) 7.967 11.533 ( 1.520 -3.257 -0.096) 3.596 11.758 ( -9.518 -5.167 -0.997) 10.876 12.603 ( -7.153 3.770 0.322) 8.093 12.917 ( 0.392 0.709 0.737) 1.095 12.992 ( 6.929 1.979 1.214) 7.308 13.187 ( -6.008 -4.365 0.367) 7.435 13.430 ( 1.549 -8.947 1.452) 9.196 13.809 ( -4.370 -5.542 -0.328) 7.065 14.085 ( -4.930 -7.858 -1.967) 9.483 14.177 ( -1.217 -9.943 -1.883) 10.193 14.770 ( 4.683 2.256 -2.179) 5.636 15.007 ( -0.402 11.680 1.192) 11.747 15.094 ( -1.988 2.049 -0.627) 2.923 15.885 ( 18.272 0.323 -2.440) 18.437 17.328 ( 3.270 4.976 -0.878) 6.018 17.538 ( 0.448 10.066 0.131) 10.077 19.373 ( -8.935 -7.127 1.204) 11.493 19.711 ( -3.527 -7.773 0.774) 8.571 20.419 ( -10.363 -7.460 -0.174) 12.770 20.659 ( -8.427 -11.041 -1.143) 13.937 21.755 ( -8.132 -5.106 0.330) 9.608 21.913 ( -0.401 -5.697 -1.457) 5.894 22.649 ( 23.571 25.526 0.066) 34.744 24.214 ( -3.679 6.568 0.549) 7.548 24.725 ( 6.379 1.019 1.086) 6.551 27.502 ( -1.039 1.936 -0.081) 2.199 29.289 ( 11.673 11.733 -0.585) 16.561 29.810 ( 17.032 14.932 -3.119) 22.864 31.038 ( 2.641 1.446 0.324) 3.028 31.330 ( -12.100 -12.940 1.707) 17.798 109.997 ( 0.193 0.899 -0.038) 0.921 110.036 ( 2.246 1.291 0.004) 2.590 110.541 ( -8.088 -7.785 1.549) 11.333 113.404 ( -0.173 -0.174 -0.011) 0.246 ======================= Grid point 414 (78/94) ======================= q-point: ( 0.36 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.465 ( -14.378 40.101 -0.581) 42.605 3.816 ( 10.513 22.128 4.933) 24.990 4.587 ( -7.471 -5.955 -0.938) 9.600 4.859 ( 20.177 8.640 -0.919) 21.968 5.672 ( -2.553 -3.346 -5.017) 6.549 6.323 ( 8.362 6.005 -0.989) 10.342 6.413 ( -13.621 -14.886 -0.844) 20.195 6.492 ( -9.264 -13.478 -0.847) 16.377 6.926 ( -9.220 -5.677 -1.198) 10.894 7.195 ( 44.105 7.668 -0.029) 44.767 7.719 ( 20.716 -4.598 0.229) 21.221 8.049 ( 1.130 17.207 -0.882) 17.266 8.542 ( 22.336 31.436 1.595) 38.596 8.817 ( -10.943 -16.770 0.700) 20.036 9.003 ( -9.799 2.516 -0.685) 10.140 9.504 ( -5.595 -4.365 1.718) 7.301 9.708 ( -12.803 -3.948 -0.206) 13.400 10.466 ( 9.632 7.095 1.267) 12.030 10.805 ( -0.023 -3.189 1.807) 3.666 11.122 ( -6.413 5.939 -0.511) 8.756 11.486 ( -6.218 -7.012 -1.288) 9.460 11.594 ( -0.439 -0.133 0.606) 0.760 12.492 ( -8.572 3.487 -0.133) 9.255 12.903 ( -1.932 0.278 0.475) 2.009 13.028 ( -2.618 -3.189 -0.899) 4.223 13.134 ( 4.189 -0.336 1.760) 4.556 13.349 ( -2.829 -5.599 0.900) 6.337 13.712 ( 0.054 -9.403 -0.269) 9.407 13.848 ( -6.341 -10.864 -0.396) 12.586 14.094 ( 3.975 -11.795 -2.302) 12.658 14.724 ( -1.965 -3.040 -3.801) 5.249 15.125 ( 2.437 8.338 -1.142) 8.762 15.176 ( 0.173 8.331 0.181) 8.334 16.202 ( 18.972 -8.829 1.729) 20.998 17.448 ( -4.371 19.240 0.477) 19.736 17.749 ( 8.706 12.087 -1.114) 14.938 19.180 ( -4.268 -6.330 0.827) 7.679 19.453 ( -11.501 -14.101 0.342) 18.199 20.229 ( -6.569 -3.013 0.464) 7.242 20.525 ( 1.524 -4.463 -0.717) 4.771 21.426 ( -10.973 -10.334 0.144) 15.074 22.002 ( 4.273 1.352 -1.133) 4.623 23.264 ( 19.549 22.354 0.319) 29.698 24.105 ( -13.184 1.328 0.647) 13.266 24.829 ( 5.423 -1.291 0.647) 5.612 27.503 ( -1.714 3.000 -0.101) 3.457 29.574 ( 9.007 8.853 0.172) 12.631 30.084 ( 4.170 4.175 -0.365) 5.912 31.070 ( 0.062 -2.445 0.485) 2.493 31.100 ( -2.143 -5.236 -0.122) 5.659 110.006 ( -0.067 0.814 -0.010) 0.817 110.097 ( 3.223 1.570 0.142) 3.588 110.357 ( -5.928 -5.230 0.868) 7.953 113.400 ( -0.093 -0.100 -0.017) 0.137 ======================= Grid point 415 (79/94) ======================= q-point: ( 0.45 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.531 ( -24.712 42.803 -0.396) 49.426 4.224 ( -4.837 8.378 3.398) 10.254 4.233 ( 0.260 -0.451 -0.176) 0.550 5.258 ( 6.495 -11.249 -1.804) 13.114 5.707 ( -1.119 1.938 -4.952) 5.434 5.886 ( 5.070 -8.782 -0.168) 10.142 6.245 ( 3.447 -5.971 -0.637) 6.924 6.699 ( -1.832 3.174 0.055) 3.665 6.735 ( -0.791 1.369 -2.567) 3.015 7.698 ( 6.267 -10.855 -1.657) 12.643 8.022 ( -1.165 2.019 1.556) 2.802 8.155 ( 6.630 -11.484 -0.649) 13.277 8.440 ( 1.310 -2.269 -0.724) 2.718 8.842 ( -7.145 12.375 2.052) 14.436 9.171 ( -2.964 5.134 2.704) 6.516 9.276 ( -5.515 9.552 1.663) 11.154 9.571 ( 2.761 -4.781 -2.389) 6.016 10.659 ( 2.664 -4.615 2.606) 5.932 10.699 ( -3.498 6.059 0.742) 7.036 11.120 ( -4.178 7.237 -0.470) 8.369 11.349 ( 1.941 -3.362 -1.443) 4.141 11.618 ( 0.252 -0.437 0.911) 1.041 12.427 ( -3.879 6.719 -0.410) 7.770 12.876 ( -0.216 0.374 -0.057) 0.436 12.995 ( 0.375 -0.650 -0.456) 0.878 13.191 ( 1.614 -2.795 2.077) 3.838 13.261 ( 0.488 -0.845 0.166) 0.990 13.629 ( 3.957 -6.854 -1.487) 8.053 13.768 ( 4.325 -7.492 0.850) 8.692 14.071 ( 6.896 -11.944 -2.390) 13.997 14.698 ( 0.559 -0.968 -4.292) 4.436 15.192 ( -2.242 3.884 -1.488) 4.725 15.220 ( -3.748 6.492 0.390) 7.507 16.320 ( 10.410 -18.031 2.925) 21.025 17.516 ( -12.655 21.919 1.057) 25.332 17.920 ( -3.000 5.197 -1.316) 6.143 19.166 ( 3.088 -5.348 1.118) 6.276 19.186 ( 2.587 -4.481 -0.433) 5.193 20.153 ( -0.311 0.539 0.677) 0.920 20.537 ( 2.316 -4.012 -0.597) 4.671 21.268 ( 1.346 -2.332 0.211) 2.700 22.046 ( 0.443 -0.767 -1.178) 1.474 23.665 ( -5.302 9.183 0.896) 10.641 23.875 ( -3.113 5.392 0.277) 6.233 24.871 ( 2.052 -3.555 0.505) 4.136 27.503 ( -1.977 3.424 -0.106) 3.955 29.715 ( -1.494 2.587 0.663) 3.060 30.109 ( -0.371 0.643 0.514) 0.903 31.038 ( 1.841 -3.188 0.582) 3.727 31.087 ( 1.230 -2.130 -0.927) 2.628 110.010 ( -0.380 0.658 0.000) 0.760 110.154 ( 0.225 -0.389 0.311) 0.546 110.259 ( 0.551 -0.954 0.503) 1.211 113.399 ( 0.016 -0.028 -0.019) 0.037 ======================= Grid point 424 (80/94) ======================= q-point: ( 0.18 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.245 ( 10.133 17.552 7.900) 21.752 3.544 ( 20.136 34.876 -4.015) 40.471 4.815 ( 16.329 28.283 -0.694) 32.665 4.865 ( 15.129 26.204 2.842) 30.391 5.057 ( -5.258 -9.106 -3.868) 11.204 5.651 ( 24.137 41.807 -0.193) 48.275 5.939 ( -2.722 -4.714 -3.050) 6.239 6.818 ( -9.679 -16.764 0.268) 19.359 6.911 ( 1.236 2.141 -0.590) 2.541 7.333 ( 4.608 7.981 0.268) 9.220 7.608 ( -16.916 -29.299 -1.724) 33.875 7.683 ( 7.361 12.750 0.513) 14.731 7.964 ( 9.214 15.959 -2.590) 18.609 8.911 ( -1.196 -2.072 -0.210) 2.402 9.310 ( -6.939 -12.019 2.295) 14.067 9.752 ( -4.094 -7.091 -0.878) 8.235 10.084 ( 7.592 13.151 0.983) 15.217 10.116 ( -4.398 -7.617 1.413) 8.908 10.719 ( 1.006 1.743 1.177) 2.331 11.268 ( 1.666 2.885 0.158) 3.335 11.493 ( -1.115 -1.930 -0.412) 2.267 11.819 ( -4.720 -8.175 -1.282) 9.526 12.767 ( 1.306 2.262 -0.366) 2.638 12.801 ( 2.763 4.785 2.456) 6.046 13.005 ( -0.327 -0.566 -0.623) 0.903 13.195 ( -0.299 -0.518 3.366) 3.419 13.350 ( -5.806 -10.056 1.014) 11.656 13.819 ( -4.974 -8.616 -1.237) 10.025 14.074 ( -4.853 -8.405 -1.698) 9.853 14.151 ( -4.548 -7.877 -2.111) 9.337 14.728 ( 3.352 5.806 -2.606) 7.192 15.100 ( 0.927 1.605 0.600) 1.948 15.114 ( 5.487 9.504 0.541) 10.988 15.712 ( 1.139 1.974 -3.488) 4.167 17.313 ( 4.474 7.750 -1.620) 9.094 17.603 ( 3.863 6.691 1.358) 7.845 19.424 ( -6.048 -10.475 1.421) 12.178 19.690 ( -3.303 -5.721 1.319) 6.737 20.477 ( -6.271 -10.862 -1.124) 12.592 20.675 ( -8.498 -14.719 -1.301) 17.046 21.794 ( 5.360 9.283 -0.231) 10.722 21.890 ( -12.632 -21.879 -0.323) 25.266 22.576 ( 18.337 31.760 0.053) 36.674 24.300 ( 4.469 7.741 -0.168) 8.940 24.656 ( 0.867 1.501 1.034) 2.018 27.525 ( 0.928 1.607 -0.118) 1.860 29.248 ( 8.477 14.682 -0.374) 16.957 29.728 ( 12.572 21.775 -3.550) 25.393 31.021 ( 1.279 2.216 0.320) 2.578 31.372 ( -9.878 -17.109 1.842) 19.842 110.003 ( 0.574 0.994 -0.006) 1.148 110.020 ( 0.963 1.669 -0.042) 1.927 110.573 ( -5.851 -10.134 1.656) 11.818 113.404 ( -0.131 -0.228 -0.009) 0.263 ======================= Grid point 425 (81/94) ======================= q-point: ( 0.27 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.627 ( 12.643 19.598 4.241) 23.705 4.184 ( 15.765 32.561 -2.698) 36.277 4.738 ( -18.852 6.813 -2.483) 20.198 4.935 ( -15.289 27.332 -0.304) 31.319 5.617 ( 8.481 -7.438 -4.089) 11.999 6.074 ( 37.566 6.217 -0.595) 38.082 6.351 ( 11.801 4.030 -0.851) 12.500 6.479 ( -12.002 -18.938 0.519) 22.427 6.640 ( 0.826 -8.484 -0.263) 8.528 7.087 ( -13.029 -10.764 -0.158) 16.900 7.413 ( 11.762 0.547 -0.101) 11.775 8.203 ( 8.730 25.911 -0.634) 27.350 8.522 ( 19.475 35.239 0.369) 40.264 8.799 ( -7.325 -16.234 0.366) 17.814 9.050 ( -3.647 -10.381 0.893) 11.040 9.561 ( -7.068 -7.434 -1.084) 10.315 9.947 ( -12.039 1.639 2.024) 12.318 10.359 ( 10.379 6.799 2.793) 12.718 10.790 ( 2.700 4.307 0.797) 5.145 11.251 ( -4.302 0.203 -0.458) 4.331 11.480 ( 0.459 -1.693 -0.711) 1.893 11.633 ( -6.555 -7.289 -0.633) 9.823 12.706 ( -9.959 6.199 -0.048) 11.731 12.909 ( 5.257 -2.814 0.831) 6.020 13.001 ( 0.181 0.706 -0.179) 0.750 13.123 ( -5.847 -3.251 1.088) 6.778 13.257 ( 5.162 -7.305 2.146) 9.199 13.635 ( -4.323 -10.882 -1.195) 11.770 13.845 ( -8.203 -15.201 0.380) 17.277 13.964 ( -3.609 -11.982 -1.982) 12.669 14.684 ( -1.574 -7.930 -5.634) 9.854 15.166 ( 2.733 7.602 -2.471) 8.448 15.253 ( 1.514 7.773 -0.253) 7.923 15.903 ( 11.000 2.958 3.199) 11.831 17.587 ( 9.443 19.408 -1.115) 21.613 17.787 ( 4.665 14.858 1.470) 15.643 19.198 ( -7.240 -10.755 1.072) 13.009 19.473 ( -9.068 -16.091 1.037) 18.500 20.319 ( -6.440 -2.655 -0.452) 6.980 20.446 ( -1.261 -9.875 -0.652) 9.976 21.493 ( -11.184 -15.184 -0.112) 18.859 21.945 ( 4.573 3.863 -0.478) 6.005 23.195 ( 18.209 28.402 -0.048) 33.738 24.348 ( -8.561 6.364 -0.224) 10.670 24.690 ( 5.900 -4.823 0.367) 7.629 27.558 ( -0.165 3.371 -0.201) 3.380 29.528 ( 8.409 12.293 0.411) 14.900 30.052 ( 6.625 9.037 -0.639) 11.223 31.045 ( 0.443 -0.965 0.103) 1.066 31.087 ( -5.793 -10.823 0.500) 12.286 110.019 ( -0.026 1.320 0.037) 1.320 110.063 ( 2.311 1.500 0.049) 2.756 110.393 ( -5.225 -7.085 0.997) 8.859 113.401 ( -0.099 -0.147 -0.014) 0.177 ======================= Grid point 426 (82/94) ======================= q-point: ( 0.36 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.042 ( 13.046 18.910 0.732) 22.985 4.426 ( -21.386 1.829 -1.892) 21.548 4.654 ( -9.198 42.332 -0.971) 43.331 4.988 ( 2.896 4.108 -0.946) 5.114 5.603 ( 5.667 0.279 -4.230) 7.077 5.937 ( -18.220 -18.655 -0.816) 26.089 6.130 ( -3.154 -16.792 -1.458) 17.148 6.631 ( 12.068 6.246 0.361) 13.594 6.822 ( -4.809 -3.729 0.358) 6.096 7.355 ( 42.634 8.346 0.491) 43.446 7.647 ( 12.392 1.030 -1.441) 12.518 8.218 ( -22.130 -26.524 1.592) 34.580 8.523 ( -3.289 8.925 -1.756) 9.672 9.002 ( 6.625 10.741 1.325) 12.689 9.152 ( 13.187 10.679 1.013) 16.999 9.414 ( -7.379 0.022 1.219) 7.479 9.712 ( -16.303 4.184 0.977) 16.859 10.547 ( 6.853 0.005 2.916) 7.447 10.857 ( -3.396 8.585 0.807) 9.268 11.206 ( 0.918 1.971 -1.057) 2.417 11.348 ( -8.829 -5.697 -1.449) 10.607 11.582 ( 2.968 -1.840 0.781) 3.578 12.608 ( -8.039 7.614 -0.570) 11.087 12.905 ( -2.421 0.036 0.427) 2.458 12.989 ( -0.580 -0.939 -1.009) 1.495 13.092 ( 4.898 -3.710 1.753) 6.390 13.253 ( -0.229 -4.127 0.646) 4.184 13.489 ( 1.158 -10.557 -0.946) 10.662 13.605 ( -0.263 -12.651 1.522) 12.745 13.840 ( 4.286 -13.932 -2.288) 14.755 14.623 ( 2.481 -6.680 -7.171) 10.110 15.264 ( -0.121 5.920 -2.005) 6.252 15.324 ( -0.799 5.183 -0.759) 5.299 16.056 ( 6.706 -3.551 5.334) 9.275 17.893 ( -2.548 23.278 1.487) 23.465 18.021 ( 2.833 15.137 0.198) 15.401 19.020 ( 1.105 -10.199 0.525) 10.272 19.142 ( -6.902 -16.779 0.309) 18.145 20.194 ( -4.366 -0.411 0.745) 4.448 20.425 ( 4.427 -5.618 -0.767) 7.193 21.244 ( -3.873 -7.454 0.060) 8.400 22.024 ( 1.847 0.953 -0.880) 2.257 23.728 ( 13.157 23.670 0.079) 27.081 24.145 ( -18.750 2.366 -0.018) 18.899 24.743 ( 6.441 -7.583 -0.198) 9.951 27.580 ( -1.737 4.243 -0.250) 4.592 29.752 ( 3.803 9.120 1.135) 9.946 30.128 ( -1.126 0.172 1.127) 1.602 30.969 ( 0.935 -4.907 -0.054) 4.996 31.036 ( 0.915 -3.530 -0.614) 3.698 110.028 ( -0.500 1.313 0.057) 1.406 110.125 ( 2.947 1.188 0.207) 3.184 110.261 ( -3.179 -4.365 0.521) 5.425 113.398 ( -0.025 -0.070 -0.017) 0.077 ======================= Grid point 432 (83/94) ======================= q-point: (-0.09 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( -21.413 37.088 8.844) 43.729 2.765 ( -2.585 4.478 16.346) 17.144 3.108 ( -33.959 58.819 -2.518) 67.965 4.015 ( -10.772 18.657 -4.081) 21.927 4.171 ( -13.661 23.662 -0.143) 27.323 5.037 ( -29.432 50.978 0.746) 58.869 5.724 ( 4.032 -6.983 -0.567) 8.083 6.037 ( 0.594 -1.028 -1.277) 1.744 6.692 ( -5.102 8.837 -4.254) 11.056 7.427 ( 6.412 -11.106 -3.242) 13.227 7.686 ( -1.236 2.140 -3.776) 4.513 8.720 ( 11.709 -20.280 1.229) 23.450 8.813 ( 13.840 -23.971 -0.222) 27.680 8.962 ( 3.401 -5.890 0.610) 6.829 9.408 ( -6.520 11.292 -0.166) 13.040 9.708 ( 5.875 -10.176 0.648) 11.768 10.032 ( 3.758 -6.509 2.010) 7.780 10.500 ( 4.432 -7.677 -1.252) 8.952 10.770 ( 1.319 -2.285 0.502) 2.686 10.991 ( -5.446 9.432 -1.040) 10.941 11.583 ( 0.962 -1.666 0.568) 2.006 11.997 ( 0.807 -1.398 -0.088) 1.617 12.408 ( -8.507 14.735 -1.435) 17.075 12.681 ( -0.873 1.512 0.396) 1.791 13.039 ( 0.850 -1.472 0.875) 1.911 13.170 ( -4.387 7.599 -2.607) 9.153 13.705 ( -16.425 28.449 -5.566) 33.318 13.785 ( 5.635 -9.759 -0.436) 11.278 14.103 ( -4.189 7.256 6.043) 10.330 14.176 ( -2.253 3.902 0.802) 4.576 14.225 ( 1.635 -2.832 -3.115) 4.517 14.572 ( -5.911 10.238 -2.825) 12.155 14.668 ( -7.238 12.537 -0.341) 14.480 16.653 ( 22.970 -39.786 5.783) 46.304 17.505 ( 6.743 -11.679 -2.885) 13.790 17.642 ( 3.478 -6.024 0.237) 6.960 19.709 ( -1.575 2.728 -1.355) 3.429 19.780 ( 4.203 -7.279 0.906) 8.454 20.779 ( -18.175 31.481 -1.099) 36.367 21.008 ( 7.232 -12.527 -0.028) 14.465 21.281 ( 1.204 -2.085 -1.236) 2.706 21.859 ( -1.107 1.918 -1.524) 2.689 22.828 ( 14.088 -24.401 0.188) 28.177 23.876 ( -6.781 11.746 0.664) 13.579 24.408 ( -5.774 10.001 2.904) 11.908 27.503 ( 0.101 -0.174 -0.056) 0.209 28.490 ( -21.724 37.627 -5.842) 43.839 28.657 ( -8.197 14.197 -2.035) 16.520 30.897 ( -1.681 2.911 0.625) 3.419 32.137 ( 11.185 -19.373 2.250) 22.483 109.969 ( -0.408 0.706 -0.157) 0.830 109.970 ( -0.474 0.821 -0.085) 0.951 111.048 ( 7.388 -12.796 2.132) 14.929 113.415 ( 0.152 -0.263 -0.009) 0.304 ======================= Grid point 436 (84/94) ======================= q-point: ( 0.27 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.010 ( 10.686 18.509 0.892) 21.391 4.633 ( -4.030 -6.980 -3.820) 8.919 4.648 ( 8.896 15.408 -1.103) 17.826 5.325 ( -0.632 -1.094 -5.100) 5.254 5.791 ( 2.024 3.506 -0.786) 4.125 6.029 ( -8.195 -14.195 -4.190) 16.918 6.092 ( -0.926 -1.603 -0.324) 1.879 6.287 ( 8.580 14.862 4.349) 17.703 6.848 ( 8.294 14.366 -0.211) 16.589 6.921 ( -1.345 -2.329 2.656) 3.779 7.593 ( 7.414 12.841 -2.609) 15.056 8.268 ( -20.476 -35.465 1.641) 40.984 8.663 ( 7.992 13.842 -1.998) 16.108 8.901 ( -2.612 -4.523 -0.660) 5.265 9.090 ( 13.359 23.138 2.908) 26.875 9.499 ( 1.940 3.361 0.134) 3.883 9.931 ( -3.134 -5.428 2.683) 6.818 10.459 ( 1.909 3.306 2.947) 4.823 10.936 ( 5.597 9.694 0.583) 11.209 11.195 ( -2.422 -4.195 -1.855) 5.187 11.466 ( -5.151 -8.923 -0.029) 10.303 11.489 ( 0.780 1.350 0.010) 1.559 12.802 ( -0.678 -1.175 0.583) 1.477 12.847 ( 1.023 1.771 -1.113) 2.329 12.998 ( -2.485 -4.305 0.300) 4.980 13.055 ( 0.236 0.410 0.363) 0.596 13.180 ( -0.723 -1.252 0.953) 1.731 13.444 ( -4.163 -7.210 -1.040) 8.390 13.559 ( -7.027 -12.170 1.613) 14.145 13.703 ( -7.334 -12.702 -1.309) 14.726 14.554 ( -2.524 -4.372 -8.383) 9.786 15.297 ( 2.959 5.125 -2.284) 6.343 15.353 ( 1.660 2.875 -1.205) 3.532 15.992 ( 2.695 4.667 6.209) 8.222 18.012 ( 12.635 21.885 0.104) 25.271 18.100 ( 9.164 15.873 2.309) 18.473 18.956 ( -7.504 -12.997 0.522) 15.017 19.111 ( -11.230 -19.451 0.304) 22.462 20.272 ( -2.628 -4.552 0.464) 5.277 20.314 ( -0.722 -1.251 -0.470) 1.519 21.242 ( -5.436 -9.416 -0.041) 10.872 22.012 ( 1.496 2.591 -0.648) 3.061 23.731 ( 14.579 25.252 -0.245) 29.160 24.424 ( -1.071 -1.855 -0.862) 2.310 24.551 ( -3.712 -6.429 0.149) 7.426 27.620 ( 1.470 2.546 -0.326) 2.958 29.765 ( 6.579 11.394 1.246) 13.216 30.140 ( -0.258 -0.447 1.450) 1.539 30.933 ( -2.269 -3.930 -0.521) 4.568 31.007 ( -1.664 -2.883 -0.274) 3.340 110.043 ( 0.559 0.968 0.121) 1.124 110.099 ( 1.336 2.314 0.105) 2.674 110.268 ( -3.177 -5.502 0.553) 6.377 113.398 ( -0.047 -0.082 -0.016) 0.096 ======================= Grid point 437 (85/94) ======================= q-point: ( 0.36 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.261 ( -1.343 2.326 -2.896) 3.949 4.507 ( -6.552 11.349 -0.755) 13.126 4.787 ( 6.493 -11.247 -1.648) 13.091 5.416 ( -8.976 15.547 -3.111) 18.220 5.594 ( 2.260 -3.915 -3.979) 6.023 5.802 ( 8.875 -15.373 -1.960) 17.859 6.104 ( -20.876 36.158 1.273) 41.771 6.599 ( 4.866 -8.429 1.454) 9.840 6.888 ( -7.089 12.279 1.492) 14.257 7.423 ( 10.126 -17.538 0.437) 20.256 7.500 ( 12.574 -21.779 3.719) 25.422 7.755 ( -3.312 5.737 -3.905) 7.690 8.702 ( -4.072 7.053 -2.029) 8.394 8.892 ( 6.346 -10.992 -1.505) 12.781 9.463 ( -4.534 7.854 2.685) 9.458 9.538 ( -7.306 12.654 3.631) 15.056 9.784 ( -0.150 0.260 2.193) 2.214 10.495 ( 1.978 -3.426 1.700) 4.306 11.069 ( -5.939 10.287 0.218) 11.881 11.180 ( 1.639 -2.840 -2.392) 4.059 11.297 ( 0.972 -1.684 0.687) 2.063 11.523 ( 1.622 -2.809 0.765) 3.333 12.755 ( -3.776 6.540 -0.677) 7.582 12.903 ( 4.152 -7.192 -0.866) 8.350 12.931 ( -1.157 2.004 0.992) 2.518 13.072 ( -1.524 2.639 -0.014) 3.047 13.176 ( 2.571 -4.452 -0.961) 5.230 13.371 ( 0.012 -0.020 -0.770) 0.771 13.429 ( 2.341 -4.056 3.180) 5.661 13.558 ( 7.445 -12.895 -1.405) 14.956 14.513 ( 1.891 -3.275 -8.845) 9.620 15.352 ( -1.581 2.738 -1.933) 3.706 15.378 ( -0.447 0.774 -1.582) 1.817 16.043 ( -0.363 0.628 6.752) 6.791 18.297 ( -9.013 15.611 3.132) 18.296 18.319 ( -7.663 13.272 1.899) 15.443 18.786 ( 6.796 -11.771 -0.612) 13.606 18.831 ( 7.446 -12.897 -0.934) 14.921 20.218 ( -1.611 2.790 0.697) 3.296 20.312 ( 3.073 -5.323 -0.120) 6.147 21.146 ( 1.397 -2.420 0.004) 2.794 22.039 ( -0.236 0.409 -0.824) 0.949 24.141 ( -6.474 11.213 -0.649) 12.964 24.207 ( -5.741 9.944 -0.220) 11.484 24.528 ( 8.161 -14.135 -0.450) 16.328 27.646 ( -1.143 1.979 -0.382) 2.317 29.921 ( -4.158 7.201 1.764) 8.500 30.089 ( 2.173 -3.764 1.912) 4.748 30.913 ( 0.305 -0.529 -0.573) 0.837 30.962 ( 1.873 -3.244 -0.647) 3.802 110.053 ( -0.571 0.990 0.152) 1.153 110.143 ( -0.350 0.606 0.216) 0.733 110.192 ( 1.288 -2.231 0.308) 2.594 113.397 ( 0.014 -0.025 -0.017) 0.033 ======================= Grid point 443 (86/94) ======================= q-point: (-0.18 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( -15.502 38.230 6.760) 41.804 2.965 ( -13.014 10.581 12.631) 20.997 4.010 ( -0.867 31.616 -1.573) 31.667 4.470 ( -34.345 43.001 -2.512) 55.090 5.037 ( -52.684 9.635 -1.170) 53.570 5.298 ( 8.004 -10.322 -1.263) 13.122 6.000 ( 0.863 -3.000 -0.891) 3.247 6.342 ( -32.611 52.290 0.808) 61.631 6.899 ( -7.780 11.305 -3.584) 14.184 7.183 ( 5.305 -14.952 -3.694) 16.289 7.707 ( 6.714 6.579 -2.577) 9.747 8.073 ( 28.388 -23.797 0.193) 37.043 8.271 ( 12.361 -34.068 0.528) 36.245 8.956 ( -3.178 -2.707 -0.234) 4.181 9.510 ( 6.976 -4.799 -0.368) 8.476 9.695 ( -5.069 12.002 0.017) 13.028 9.901 ( 4.932 0.838 1.775) 5.308 10.312 ( 6.139 -11.008 0.469) 12.612 10.747 ( -2.497 -2.565 0.321) 3.594 11.150 ( -0.996 8.740 -0.642) 8.820 11.548 ( -0.311 -3.479 0.388) 3.514 11.920 ( 5.323 -3.898 0.168) 6.599 12.631 ( 0.997 8.143 -0.124) 8.205 12.764 ( -9.763 3.078 0.628) 10.256 12.989 ( 3.790 0.943 0.343) 3.921 13.275 ( -3.480 -1.482 -1.825) 4.200 13.578 ( 5.999 -8.806 -1.233) 10.726 13.935 ( 2.808 -2.167 -0.347) 3.564 14.130 ( 1.464 -3.931 2.132) 4.705 14.224 ( -2.195 -1.160 -0.249) 2.495 14.471 ( -14.581 13.769 -2.001) 20.154 14.849 ( -4.074 18.601 -2.192) 19.168 14.985 ( -15.668 12.220 -2.086) 19.979 15.922 ( 18.030 -26.316 3.792) 32.125 17.330 ( 1.912 -5.217 -3.431) 6.530 17.539 ( 4.596 0.918 0.035) 4.687 19.594 ( 8.437 -6.561 1.153) 10.749 19.771 ( -2.470 0.198 -1.759) 3.039 20.706 ( 12.019 -13.022 0.902) 17.744 20.913 ( 7.518 -12.641 1.952) 14.836 21.547 ( -14.800 17.329 -2.371) 22.912 22.080 ( -11.888 19.523 -3.537) 23.129 22.331 ( 14.902 -20.817 0.020) 25.601 24.096 ( -5.147 9.652 1.534) 11.045 24.578 ( -5.987 4.150 3.197) 7.956 27.501 ( 0.395 0.681 -0.053) 0.789 28.970 ( -11.282 14.540 -2.039) 18.517 29.237 ( -25.066 27.044 -5.949) 37.351 30.965 ( -2.737 2.748 0.709) 3.943 31.718 ( 14.950 -17.645 2.862) 23.303 109.983 ( -0.316 0.926 -0.120) 0.986 109.994 ( -1.346 0.969 -0.062) 1.660 110.782 ( 9.241 -10.675 2.243) 14.297 113.409 ( 0.203 -0.235 -0.006) 0.310 ======================= Grid point 455 (87/94) ======================= q-point: (-0.27 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.151 ( -3.682 30.834 6.264) 31.679 3.401 ( -12.021 25.965 7.344) 29.540 4.285 ( -8.719 21.340 -1.732) 23.118 4.962 ( 10.726 -9.956 -1.002) 14.669 5.557 ( -28.738 29.422 -1.059) 41.141 5.780 ( -13.022 0.125 -0.697) 13.041 6.209 ( -44.520 3.192 -0.284) 44.635 6.827 ( 6.369 -6.008 -3.672) 9.495 6.992 ( 6.968 -15.495 -2.117) 17.121 7.254 ( 15.284 -6.819 -1.472) 16.801 7.500 ( -10.995 18.287 -1.037) 21.363 7.744 ( -5.635 15.088 0.786) 16.125 7.968 ( -4.665 -1.846 -1.174) 5.153 8.969 ( -1.212 -4.636 -0.047) 4.792 9.292 ( 12.179 -8.156 -1.192) 14.706 9.644 ( 7.936 -0.606 0.825) 8.002 9.942 ( 8.110 0.396 0.618) 8.143 10.226 ( -8.058 4.241 0.829) 9.144 10.793 ( -4.755 -2.225 0.277) 5.257 11.177 ( 5.803 5.908 0.227) 8.284 11.532 ( -1.746 -3.664 0.000) 4.059 11.745 ( 9.083 -5.378 0.246) 10.559 12.595 ( 7.497 3.015 1.070) 8.152 12.919 ( -0.931 0.916 0.513) 1.403 12.999 ( -5.678 1.572 0.397) 5.905 13.205 ( 6.792 -3.553 -1.148) 7.750 13.464 ( -0.798 -8.134 -1.841) 8.378 13.813 ( 3.907 -5.293 -0.585) 6.605 14.061 ( 1.822 -6.924 0.665) 7.190 14.159 ( 2.497 -10.085 -0.397) 10.397 14.739 ( -4.092 -0.159 0.464) 4.121 15.012 ( 3.367 5.654 0.861) 6.637 15.079 ( 0.275 4.455 0.626) 4.507 15.890 ( -20.730 3.950 -2.841) 21.293 17.353 ( -2.679 5.629 -3.190) 7.003 17.547 ( -0.394 10.613 -0.712) 10.644 19.371 ( 8.977 -7.418 1.445) 11.735 19.748 ( 4.342 -5.905 -2.846) 7.863 20.395 ( 9.779 -8.482 2.189) 13.129 20.639 ( 7.396 -11.470 0.681) 13.665 21.762 ( 8.873 -5.674 -0.294) 10.536 21.901 ( -0.150 -5.053 -0.298) 5.064 22.680 ( -22.199 25.738 -2.820) 34.106 24.197 ( 3.213 5.745 2.150) 6.925 24.705 ( -6.698 0.113 3.009) 7.344 27.502 ( 1.050 1.898 -0.037) 2.169 29.300 ( -11.479 12.271 -1.638) 16.883 29.815 ( -17.010 15.264 -3.675) 23.148 31.034 ( -2.671 1.245 0.682) 3.024 31.326 ( 12.012 -13.176 2.202) 17.965 109.997 ( -0.176 0.930 -0.085) 0.950 110.036 ( -2.256 1.283 0.010) 2.595 110.541 ( 8.084 -7.796 1.571) 11.340 113.404 ( 0.174 -0.172 -0.013) 0.245 ======================= Grid point 456 (88/94) ======================= q-point: (-0.18 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.224 ( -10.033 17.378 10.004) 22.422 3.442 ( -20.962 36.307 5.559) 42.291 4.808 ( -16.419 28.438 0.103) 32.838 4.930 ( -14.231 24.648 -3.364) 28.660 5.024 ( 6.433 -11.142 -0.821) 12.892 5.653 ( -24.318 42.120 -0.608) 48.640 5.902 ( 3.326 -5.760 0.397) 6.663 6.866 ( 9.253 -16.026 -4.141) 18.963 6.941 ( -0.619 1.071 -3.192) 3.424 7.353 ( -6.214 10.762 -1.839) 12.563 7.581 ( 16.112 -27.906 0.836) 32.234 7.699 ( -7.557 13.089 -0.793) 15.135 7.945 ( -8.421 14.585 -0.946) 16.868 8.912 ( 1.377 -2.385 -0.303) 2.771 9.348 ( 6.729 -11.655 -1.446) 13.536 9.735 ( 4.589 -7.949 0.730) 9.207 10.086 ( -8.763 15.179 0.775) 17.544 10.114 ( 4.478 -7.755 1.710) 9.117 10.737 ( -1.088 1.885 -0.494) 2.232 11.273 ( -1.508 2.611 -0.368) 3.038 11.484 ( 1.232 -2.134 0.419) 2.499 11.801 ( 4.716 -8.169 0.469) 9.444 12.745 ( -0.909 1.574 1.675) 2.471 12.825 ( -2.173 3.764 0.243) 4.353 13.000 ( -0.034 0.059 -0.133) 0.149 13.252 ( 0.341 -0.591 -1.984) 2.098 13.376 ( 5.999 -10.391 -1.427) 12.083 13.816 ( 5.177 -8.967 -1.005) 10.403 14.042 ( 3.339 -5.783 1.708) 6.893 14.136 ( 4.019 -6.961 -0.678) 8.066 14.690 ( -2.012 3.484 0.380) 4.041 15.079 ( 3.149 -5.455 2.640) 6.829 15.119 ( -5.095 8.825 0.011) 10.191 15.711 ( -5.851 10.134 -3.185) 12.127 17.346 ( -4.610 7.985 -4.694) 10.347 17.615 ( -3.942 6.828 0.234) 7.887 19.419 ( 6.221 -10.775 1.879) 12.583 19.746 ( 2.625 -4.546 -4.041) 6.625 20.444 ( 6.841 -11.849 2.086) 13.840 20.640 ( 7.905 -13.691 1.914) 15.924 21.802 ( -5.428 9.401 -1.001) 10.901 21.882 ( 12.677 -21.958 0.447) 25.358 22.619 ( -17.662 30.591 -3.996) 35.548 24.274 ( -4.115 7.128 2.329) 8.553 24.629 ( -0.701 1.213 3.602) 3.865 27.524 ( -0.901 1.561 -0.070) 1.804 29.264 ( -8.649 14.980 -1.855) 17.397 29.735 ( -12.732 22.052 -4.294) 25.823 31.016 ( -1.206 2.089 0.799) 2.541 31.365 ( 9.965 -17.260 2.550) 20.092 110.004 ( -0.585 1.012 -0.125) 1.176 110.019 ( -0.961 1.664 0.018) 1.921 110.573 ( 5.854 -10.140 1.686) 11.829 113.404 ( 0.131 -0.226 -0.013) 0.262 ======================= Grid point 467 (89/94) ======================= q-point: (-0.36 0.45 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.430 ( 12.149 38.966 2.830) 40.914 3.811 ( -10.457 21.575 5.226) 24.538 4.570 ( 8.742 -7.722 0.554) 11.678 4.848 ( -21.200 9.192 0.064) 23.107 5.627 ( 1.840 -5.707 -0.720) 6.039 6.324 ( -6.371 3.969 -1.051) 7.579 6.423 ( 13.188 -14.446 -1.460) 19.615 6.497 ( 8.207 -11.239 -1.455) 13.992 6.949 ( 8.712 -3.576 -3.520) 10.054 7.205 ( -43.662 7.692 -1.058) 44.347 7.739 ( -18.968 -4.933 -1.784) 19.680 8.040 ( -1.008 17.579 0.073) 17.608 8.556 ( -23.932 33.083 0.292) 40.832 8.819 ( 11.115 -17.376 0.449) 20.631 9.003 ( 11.103 2.544 -0.674) 11.411 9.527 ( 3.741 -3.593 -0.679) 5.232 9.699 ( 14.526 -4.087 0.802) 15.111 10.475 ( -9.761 8.195 0.382) 12.751 10.825 ( -0.367 -3.496 -0.046) 3.515 11.105 ( 7.294 6.037 1.097) 9.532 11.468 ( 5.970 -7.796 0.394) 9.827 11.603 ( 0.083 0.182 -0.236) 0.309 12.474 ( 8.478 2.542 1.521) 8.980 12.913 ( 2.194 0.587 -0.401) 2.306 13.014 ( 1.766 -3.287 0.450) 3.758 13.151 ( -3.106 -0.258 -0.034) 3.117 13.370 ( 4.103 -5.109 -1.125) 6.648 13.727 ( -0.228 -9.217 -1.600) 9.357 13.869 ( 6.382 -9.115 -2.370) 11.377 14.056 ( -4.277 -12.603 1.581) 13.403 14.659 ( 0.194 -7.098 2.241) 7.445 15.105 ( -3.372 7.161 0.526) 7.933 15.177 ( 0.143 8.094 0.157) 8.097 16.251 ( -18.268 -5.278 -2.778) 19.218 17.465 ( 5.124 19.759 -1.032) 20.438 17.766 ( -8.665 13.015 -2.798) 15.884 19.177 ( 4.070 -6.573 1.304) 7.840 19.482 ( 13.013 -13.030 -2.598) 18.598 20.223 ( 5.369 -2.763 1.147) 6.147 20.505 ( -1.781 -5.499 1.111) 5.886 21.424 ( 10.913 -10.547 0.340) 15.180 21.996 ( -4.129 1.457 -0.488) 4.405 23.278 ( -18.837 22.282 -1.004) 29.195 24.091 ( 12.524 0.800 1.911) 12.695 24.805 ( -5.870 -2.375 2.905) 6.966 27.502 ( 1.699 2.945 -0.018) 3.400 29.586 ( -8.738 9.443 -1.015) 12.906 30.092 ( -3.972 4.553 -1.088) 6.139 31.064 ( -0.159 -2.747 0.971) 2.918 31.096 ( 1.985 -5.403 0.361) 5.767 110.007 ( 0.084 0.842 -0.057) 0.848 110.097 ( -3.231 1.571 0.136) 3.596 110.356 ( 5.925 -5.246 0.896) 7.965 113.400 ( 0.094 -0.098 -0.020) 0.137 ======================= Grid point 468 (90/94) ======================= q-point: (-0.27 0.45 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.599 ( -12.285 19.487 6.900) 24.047 4.110 ( -16.272 33.929 4.219) 37.865 4.709 ( 15.546 -2.344 -0.001) 15.722 4.941 ( 17.081 32.301 -0.804) 36.548 5.561 ( -5.676 -7.941 1.187) 9.833 6.078 ( -38.541 5.660 -1.015) 38.967 6.348 ( -10.554 4.087 -0.517) 11.329 6.510 ( 12.639 -20.135 -2.082) 23.864 6.653 ( -1.907 -7.328 -1.571) 7.734 7.119 ( 11.280 -7.551 -3.295) 13.968 7.450 ( -10.855 -0.209 -3.544) 11.421 8.206 ( -7.452 25.020 -0.883) 26.121 8.519 ( -21.416 36.798 0.638) 42.581 8.796 ( 6.748 -15.739 0.612) 17.135 9.080 ( 5.491 -11.259 -1.977) 12.682 9.554 ( 5.747 -6.745 -0.441) 8.872 9.954 ( 11.550 1.787 1.504) 11.784 10.383 ( -10.122 8.421 0.487) 13.176 10.802 ( -2.566 3.669 -0.359) 4.491 11.246 ( 4.765 -0.142 0.014) 4.767 11.468 ( 0.325 -1.858 0.365) 1.921 11.622 ( 5.291 -7.000 0.416) 8.784 12.684 ( 10.202 5.655 1.894) 11.817 12.901 ( -5.549 -3.969 1.501) 6.985 13.007 ( 0.395 1.190 -0.786) 1.480 13.144 ( 6.456 -3.793 -0.870) 7.538 13.299 ( -4.696 -7.470 -1.802) 9.006 13.633 ( 3.583 -10.966 -0.898) 11.571 13.870 ( 6.525 -13.837 -1.718) 15.394 13.951 ( 5.469 -10.171 -0.674) 11.568 14.561 ( 2.020 -12.622 5.814) 14.043 15.123 ( -3.689 7.879 1.328) 8.800 15.248 ( -1.482 6.842 0.129) 7.002 15.993 ( -11.419 6.467 -5.068) 14.068 17.622 ( -9.099 20.098 -4.469) 22.510 17.803 ( -5.034 15.005 -0.033) 15.827 19.189 ( 7.216 -11.202 2.070) 13.484 19.535 ( 10.057 -15.573 -5.044) 19.212 20.287 ( 4.577 -2.428 2.764) 5.872 20.423 ( 1.906 -9.865 1.480) 10.156 21.486 ( 10.972 -15.347 0.557) 18.874 21.949 ( -4.059 4.154 -0.864) 5.872 23.216 ( -17.488 27.450 -2.014) 32.610 24.317 ( 7.935 5.789 2.683) 10.182 24.657 ( -5.643 -5.141 3.484) 8.391 27.556 ( 0.182 3.309 -0.063) 3.315 29.548 ( -8.376 12.621 -1.466) 15.219 30.065 ( -6.681 9.423 -1.894) 11.705 31.038 ( -0.312 -1.178 0.820) 1.469 31.078 ( 5.664 -10.964 1.402) 12.419 110.020 ( 0.060 1.365 -0.081) 1.369 110.063 ( -2.346 1.474 0.086) 2.772 110.392 ( 5.226 -7.094 1.037) 8.872 113.401 ( 0.099 -0.145 -0.020) 0.177 ======================= Grid point 477 (91/94) ======================= q-point: (-0.45 0.55 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.512 ( 24.045 41.647 1.461) 48.112 4.205 ( 4.362 7.555 5.093) 10.101 4.219 ( -0.680 -1.178 1.086) 1.740 5.234 ( -6.934 -12.010 0.359) 13.872 5.667 ( -0.090 -0.155 -0.947) 0.964 5.886 ( -4.935 -8.548 -0.102) 9.871 6.237 ( -3.718 -6.439 0.178) 7.437 6.739 ( 3.064 5.308 -3.776) 7.198 6.760 ( 1.571 2.721 -4.902) 5.822 7.695 ( -6.447 -11.167 -1.279) 12.958 8.056 ( 2.397 4.151 -1.804) 5.122 8.142 ( -6.661 -11.537 0.563) 13.334 8.411 ( -2.425 -4.201 2.192) 5.323 8.879 ( 7.431 12.872 -1.508) 14.939 9.190 ( 3.496 6.055 0.881) 7.047 9.290 ( 6.578 11.393 0.565) 13.168 9.555 ( -3.547 -6.143 -1.053) 7.171 10.686 ( -2.608 -4.516 0.076) 5.216 10.707 ( 3.611 6.254 0.013) 7.222 11.097 ( 4.324 7.490 1.792) 8.832 11.337 ( -2.308 -3.998 -0.256) 4.623 11.627 ( -0.116 -0.201 0.030) 0.234 12.405 ( 3.329 5.766 1.650) 6.859 12.882 ( 0.388 0.671 -0.580) 0.968 12.990 ( -0.566 -0.979 0.052) 1.132 13.213 ( -1.135 -1.965 -0.081) 2.271 13.261 ( -0.561 -0.971 0.199) 1.139 13.647 ( -3.457 -5.987 -3.135) 7.591 13.796 ( -3.736 -6.471 -1.792) 7.684 14.032 ( -7.292 -12.630 1.554) 14.667 14.630 ( -2.887 -5.000 2.002) 6.111 15.176 ( 1.867 3.234 -0.041) 3.734 15.214 ( 3.416 5.917 0.844) 6.885 16.380 ( -8.597 -14.891 -2.646) 17.397 17.529 ( 13.022 22.555 -0.145) 26.045 17.941 ( 3.642 6.308 -3.397) 8.037 19.155 ( -3.336 -5.778 2.113) 6.998 19.213 ( -1.853 -3.210 -3.100) 4.832 20.158 ( 0.373 0.646 0.202) 0.772 20.515 ( -2.915 -5.049 1.557) 6.035 21.266 ( -1.405 -2.433 0.397) 2.837 22.039 ( -0.435 -0.753 -0.425) 0.968 23.674 ( 5.309 9.196 0.045) 10.619 23.864 ( 2.800 4.850 1.364) 5.765 24.845 ( -2.681 -4.644 2.911) 6.102 27.502 ( 1.944 3.366 -0.010) 3.887 29.728 ( 1.842 3.191 -0.616) 3.735 30.116 ( 0.578 1.001 -0.139) 1.164 31.035 ( -1.950 -3.377 0.934) 4.010 31.081 ( -1.386 -2.401 -0.350) 2.795 110.010 ( 0.396 0.685 -0.047) 0.793 110.154 ( -0.219 -0.380 0.283) 0.522 110.259 ( -0.564 -0.978 0.553) 1.257 113.399 ( -0.015 -0.026 -0.023) 0.037 ======================= Grid point 479 (92/94) ======================= q-point: (-0.36 0.55 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.006 ( -12.785 18.697 4.095) 23.018 4.385 ( 20.242 0.124 1.821) 20.324 4.607 ( 6.309 40.795 3.426) 41.422 4.973 ( -0.587 2.266 0.388) 2.373 5.547 ( -5.719 1.641 1.084) 6.047 5.934 ( 18.582 -18.137 -0.341) 25.968 6.109 ( 2.427 -17.534 0.599) 17.711 6.689 ( -12.567 8.781 -5.227) 16.198 6.885 ( 4.873 -2.687 -5.467) 7.801 7.363 ( -39.581 8.592 -0.436) 40.505 7.652 ( -13.145 -0.524 -1.764) 13.273 8.237 ( 21.292 -25.725 -0.163) 33.394 8.490 ( 4.505 7.830 1.455) 9.150 9.026 ( -5.939 5.948 -1.401) 8.522 9.168 ( -14.786 16.667 -0.223) 22.281 9.448 ( 5.079 1.056 -2.229) 5.646 9.712 ( 18.703 4.458 1.265) 19.268 10.571 ( -6.603 -0.258 0.670) 6.642 10.864 ( 3.319 8.166 0.127) 8.815 11.194 ( -0.965 1.524 0.071) 1.805 11.327 ( 9.006 -4.610 0.560) 10.133 11.590 ( -3.217 -1.986 -0.051) 3.781 12.575 ( 8.229 6.985 2.479) 11.075 12.914 ( 1.564 -0.074 -0.395) 1.615 12.971 ( 0.792 -1.661 0.588) 1.932 13.115 ( -5.247 -3.026 -0.657) 6.093 13.262 ( 1.885 -5.957 -0.315) 6.256 13.515 ( -2.409 -9.331 -2.944) 10.077 13.638 ( 0.651 -12.716 -1.320) 12.801 13.823 ( -3.028 -11.848 -0.689) 12.248 14.480 ( -4.185 -9.871 6.131) 12.350 15.237 ( -0.521 5.941 0.545) 5.988 15.308 ( 0.980 4.446 0.609) 4.594 16.169 ( -5.936 -1.279 -5.219) 8.007 17.917 ( 3.580 23.534 -0.621) 23.812 18.058 ( -3.602 16.428 -3.642) 17.208 19.009 ( -1.334 -10.819 1.882) 11.062 19.186 ( 7.987 -16.308 -4.212) 18.641 20.192 ( 3.515 -0.351 0.875) 3.639 20.391 ( -4.350 -5.920 2.575) 7.784 21.239 ( 3.720 -7.489 0.485) 8.376 22.023 ( -1.459 1.299 -0.778) 2.103 23.729 ( -12.871 22.658 -0.064) 26.059 24.124 ( 17.968 2.074 1.983) 18.195 24.704 ( -6.463 -7.963 3.489) 10.833 27.578 ( 1.720 4.175 -0.049) 4.515 29.774 ( -3.722 9.451 -0.934) 10.201 30.143 ( 1.386 0.540 -0.282) 1.514 30.960 ( -1.183 -5.046 0.759) 5.238 31.027 ( -0.877 -3.728 0.285) 3.840 110.029 ( 0.526 1.354 -0.053) 1.454 110.125 ( -2.984 1.177 0.209) 3.215 110.260 ( 3.193 -4.387 0.584) 5.457 113.398 ( 0.025 -0.069 -0.024) 0.077 ======================= Grid point 480 (93/94) ======================= q-point: (-0.27 0.55 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.974 ( -10.367 17.957 4.359) 21.188 4.568 ( 4.175 -7.232 2.137) 8.620 4.612 ( -9.594 16.617 2.177) 19.310 5.238 ( 1.281 -2.219 3.116) 4.034 5.778 ( -1.147 1.986 0.581) 2.366 5.966 ( 8.450 -14.635 1.985) 17.015 6.104 ( -0.239 0.414 -1.502) 1.577 6.362 ( -8.396 14.543 -2.958) 17.051 6.886 ( -8.840 15.311 -3.763) 18.076 7.006 ( 0.846 -1.465 -5.418) 5.676 7.588 ( -6.183 10.708 -2.144) 12.550 8.281 ( 20.069 -34.761 0.477) 40.142 8.633 ( -7.044 12.201 0.862) 14.115 8.907 ( 3.307 -5.727 -1.306) 6.741 9.131 ( -14.949 25.892 -0.877) 29.910 9.517 ( -2.654 4.597 -1.695) 5.572 9.947 ( 2.676 -4.634 1.193) 5.483 10.486 ( -1.240 2.148 0.279) 2.496 10.941 ( -5.528 9.575 0.136) 11.057 11.175 ( 2.839 -4.918 -0.068) 5.679 11.457 ( 5.005 -8.668 0.930) 10.052 11.493 ( -1.331 2.305 -0.409) 2.693 12.780 ( 1.324 -2.294 2.558) 3.682 12.810 ( -0.966 1.673 1.986) 2.770 13.014 ( 2.162 -3.744 -1.104) 4.462 13.066 ( 0.082 -0.141 -0.638) 0.658 13.195 ( 1.936 -3.354 -0.782) 3.951 13.459 ( 3.268 -5.660 -1.789) 6.776 13.598 ( 6.805 -11.787 -2.037) 13.762 13.714 ( 7.091 -12.281 -2.173) 14.347 14.380 ( 2.983 -5.167 7.874) 9.880 15.263 ( -3.256 5.640 0.841) 6.567 15.337 ( -1.424 2.467 0.311) 2.865 16.121 ( -3.164 5.480 -5.897) 8.650 18.067 ( -13.281 23.003 -5.177) 27.062 18.117 ( -9.356 16.205 0.663) 18.724 18.938 ( 7.771 -13.459 2.361) 15.719 19.169 ( 11.717 -20.294 -5.376) 24.042 20.264 ( 2.560 -4.435 1.244) 5.270 20.279 ( 0.426 -0.737 3.058) 3.174 21.235 ( 5.365 -9.293 0.561) 10.745 22.017 ( -1.452 2.514 -1.135) 3.117 23.730 ( -13.919 24.108 -0.184) 27.838 24.385 ( 1.022 -1.770 2.788) 3.457 24.518 ( 3.715 -6.434 3.280) 8.121 27.617 ( -1.439 2.493 -0.074) 2.880 29.789 ( -6.638 11.498 -1.021) 13.316 30.160 ( 0.111 -0.192 -0.417) 0.472 30.921 ( 2.296 -3.977 0.634) 4.636 30.997 ( 1.729 -2.994 0.655) 3.519 110.045 ( -0.573 0.992 -0.073) 1.148 110.099 ( -1.332 2.308 0.185) 2.671 110.267 ( 3.184 -5.515 0.614) 6.398 113.398 ( 0.047 -0.081 -0.025) 0.097 ======================= Grid point 491 (94/94) ======================= q-point: (-0.36 0.64 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.217 ( 0.950 1.646 1.298) 2.302 4.449 ( 6.513 11.280 4.536) 13.793 4.743 ( -6.848 -11.861 2.405) 13.905 5.353 ( 9.423 16.321 2.938) 19.073 5.532 ( -1.488 -2.576 1.917) 3.539 5.765 ( -9.496 -16.448 1.512) 19.052 6.144 ( 20.763 35.962 -2.471) 41.599 6.679 ( -5.557 -9.625 -5.951) 12.607 6.958 ( 6.913 11.974 -5.143) 14.752 7.427 ( -9.168 -15.880 0.034) 18.337 7.553 ( -12.211 -21.151 -1.245) 24.454 7.728 ( 2.778 4.812 -1.286) 5.704 8.673 ( 4.435 7.682 0.788) 8.905 8.880 ( -6.578 -11.393 -0.393) 13.161 9.527 ( 4.299 7.446 -3.528) 9.293 9.579 ( 7.223 12.510 -0.183) 14.447 9.800 ( 1.263 2.188 0.753) 2.636 10.504 ( -2.428 -4.206 0.792) 4.921 11.064 ( 5.189 8.988 0.468) 10.389 11.154 ( -1.183 -2.049 0.239) 2.378 11.298 ( -1.226 -2.123 0.712) 2.553 11.539 ( -1.062 -1.840 -0.791) 2.267 12.715 ( 3.838 6.647 2.841) 8.184 12.867 ( -4.260 -7.379 2.235) 8.809 12.953 ( 1.414 2.449 -1.086) 3.029 13.083 ( 0.487 0.844 -0.966) 1.372 13.160 ( -2.482 -4.299 0.344) 4.976 13.411 ( -0.368 -0.638 -4.114) 4.180 13.468 ( -1.979 -3.428 -0.176) 3.962 13.572 ( -6.799 -11.776 -2.662) 13.856 14.334 ( -2.290 -3.967 7.845) 9.084 15.326 ( 1.615 2.797 0.515) 3.271 15.356 ( 0.390 0.676 0.520) 0.938 16.179 ( 0.568 0.984 -6.026) 6.133 18.328 ( 9.709 16.816 0.402) 19.422 18.394 ( 8.987 15.565 -5.430) 18.776 18.757 ( -7.576 -13.122 2.344) 15.332 18.868 ( -8.434 -14.607 -4.650) 17.496 20.210 ( 1.203 2.083 1.502) 2.836 20.284 ( -2.641 -4.574 2.686) 5.925 21.141 ( -1.407 -2.438 0.462) 2.852 22.043 ( 0.317 0.548 -1.215) 1.370 24.123 ( 5.969 10.339 0.986) 11.979 24.180 ( 5.583 9.670 2.399) 11.420 24.490 ( -7.887 -13.660 3.152) 16.085 27.643 ( 1.123 1.945 -0.076) 2.247 29.946 ( 4.152 7.191 -0.602) 8.326 30.110 ( -2.007 -3.476 -0.123) 4.015 30.902 ( -0.374 -0.647 0.491) 0.894 30.950 ( -1.890 -3.273 0.452) 3.807 110.055 ( 0.603 1.045 -0.057) 1.208 110.142 ( 0.321 0.555 0.273) 0.697 110.191 ( -1.289 -2.232 0.402) 2.608 113.397 ( -0.014 -0.024 -0.026) 0.039 =================== 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 3/45738 10.0 163.561 163.561 98.082 -0.000 -0.000 -0.000 3/45738 20.0 319.431 319.431 127.786 -0.000 -0.000 -0.000 3/45738 30.0 304.356 304.356 82.400 0.000 -0.000 -0.000 3/45738 40.0 236.970 236.970 51.759 0.000 -0.000 -0.000 3/45738 50.0 181.283 181.283 34.244 0.000 -0.000 -0.000 3/45738 60.0 142.313 142.313 24.199 0.000 -0.000 -0.000 3/45738 70.0 114.993 114.993 18.118 0.000 -0.000 -0.000 3/45738 80.0 95.236 95.236 14.204 0.000 -0.000 -0.000 3/45738 90.0 80.485 80.485 11.541 0.000 -0.000 -0.000 3/45738 100.0 69.171 69.171 9.644 0.000 -0.000 -0.000 3/45738 110.0 60.297 60.297 8.239 0.000 -0.000 -0.000 3/45738 120.0 53.204 53.204 7.165 0.000 -0.000 -0.000 3/45738 130.0 47.444 47.444 6.323 0.000 -0.000 -0.000 3/45738 140.0 42.700 42.700 5.647 0.000 -0.000 -0.000 3/45738 150.0 38.743 38.743 5.096 0.000 -0.000 -0.000 3/45738 160.0 35.406 35.406 4.638 0.000 -0.000 -0.000 3/45738 170.0 32.564 32.564 4.253 0.000 -0.000 -0.000 3/45738 180.0 30.120 30.120 3.926 0.000 -0.000 -0.000 3/45738 190.0 28.002 28.002 3.645 0.000 -0.000 -0.000 3/45738 200.0 26.153 26.153 3.401 0.000 -0.000 -0.000 3/45738 210.0 24.526 24.526 3.188 0.000 -0.000 -0.000 3/45738 220.0 23.087 23.087 3.000 0.000 -0.000 -0.000 3/45738 230.0 21.805 21.805 2.834 0.000 -0.000 -0.000 3/45738 240.0 20.658 20.658 2.686 0.000 -0.000 -0.000 3/45738 250.0 19.626 19.626 2.553 0.000 -0.000 -0.000 3/45738 260.0 18.693 18.693 2.433 0.000 -0.000 -0.000 3/45738 270.0 17.846 17.846 2.325 0.000 -0.000 -0.000 3/45738 280.0 17.074 17.074 2.227 0.000 -0.000 -0.000 3/45738 290.0 16.368 16.368 2.137 0.000 -0.000 -0.000 3/45738 300.0 15.719 15.719 2.055 0.000 -0.000 -0.000 3/45738 310.0 15.121 15.121 1.979 0.000 -0.000 -0.000 3/45738 320.0 14.568 14.568 1.910 0.000 -0.000 -0.000 3/45738 330.0 14.056 14.056 1.845 0.000 -0.000 -0.000 3/45738 340.0 13.580 13.580 1.785 0.000 -0.000 -0.000 3/45738 350.0 13.136 13.136 1.729 0.000 -0.000 -0.000 3/45738 360.0 12.721 12.721 1.677 0.000 -0.000 -0.000 3/45738 370.0 12.333 12.333 1.629 0.000 -0.000 -0.000 3/45738 380.0 11.969 11.969 1.583 0.000 -0.000 -0.000 3/45738 390.0 11.626 11.626 1.540 0.000 -0.000 -0.000 3/45738 400.0 11.304 11.304 1.499 0.000 -0.000 -0.000 3/45738 410.0 10.999 10.999 1.461 0.000 -0.000 -0.000 3/45738 420.0 10.711 10.711 1.425 0.000 -0.000 -0.000 3/45738 430.0 10.439 10.439 1.391 0.000 -0.000 -0.000 3/45738 440.0 10.180 10.180 1.358 0.000 -0.000 -0.000 3/45738 450.0 9.935 9.935 1.328 0.000 -0.000 -0.000 3/45738 460.0 9.701 9.701 1.298 0.000 -0.000 -0.000 3/45738 470.0 9.479 9.479 1.270 0.000 -0.000 -0.000 3/45738 480.0 9.266 9.266 1.243 0.000 -0.000 -0.000 3/45738 490.0 9.064 9.064 1.218 0.000 -0.000 -0.000 3/45738 500.0 8.870 8.870 1.193 0.000 -0.000 -0.000 3/45738 510.0 8.685 8.685 1.170 0.000 -0.000 -0.000 3/45738 520.0 8.508 8.508 1.147 0.000 -0.000 -0.000 3/45738 530.0 8.338 8.338 1.126 0.000 -0.000 -0.000 3/45738 540.0 8.175 8.175 1.105 0.000 -0.000 -0.000 3/45738 550.0 8.018 8.018 1.085 0.000 -0.000 -0.000 3/45738 560.0 7.868 7.868 1.066 0.000 -0.000 -0.000 3/45738 570.0 7.723 7.723 1.047 -0.000 -0.000 -0.000 3/45738 580.0 7.583 7.583 1.029 -0.000 -0.000 -0.000 3/45738 590.0 7.449 7.449 1.012 -0.000 -0.000 -0.000 3/45738 600.0 7.319 7.319 0.996 -0.000 -0.000 -0.000 3/45738 610.0 7.194 7.194 0.980 -0.000 -0.000 -0.000 3/45738 620.0 7.074 7.074 0.964 -0.000 -0.000 -0.000 3/45738 630.0 6.957 6.957 0.949 -0.000 -0.000 -0.000 3/45738 640.0 6.844 6.844 0.934 -0.000 -0.000 -0.000 3/45738 650.0 6.735 6.735 0.920 -0.000 -0.000 -0.000 3/45738 660.0 6.630 6.630 0.907 -0.000 -0.000 -0.000 3/45738 670.0 6.527 6.527 0.893 -0.000 -0.000 -0.000 3/45738 680.0 6.428 6.428 0.880 -0.000 -0.000 -0.000 3/45738 690.0 6.332 6.332 0.868 -0.000 -0.000 -0.000 3/45738 700.0 6.239 6.239 0.856 -0.000 -0.000 -0.000 3/45738 710.0 6.149 6.149 0.844 -0.000 -0.000 -0.000 3/45738 720.0 6.061 6.061 0.833 -0.000 -0.000 -0.000 3/45738 730.0 5.976 5.976 0.821 -0.000 -0.000 -0.000 3/45738 740.0 5.893 5.893 0.811 -0.000 -0.000 -0.000 3/45738 750.0 5.813 5.813 0.800 -0.000 -0.000 -0.000 3/45738 760.0 5.734 5.734 0.790 -0.000 -0.000 -0.000 3/45738 770.0 5.658 5.658 0.780 -0.000 -0.000 -0.000 3/45738 780.0 5.584 5.584 0.770 -0.000 -0.000 -0.000 3/45738 790.0 5.512 5.512 0.760 -0.000 -0.000 -0.000 3/45738 800.0 5.441 5.441 0.751 -0.000 -0.000 -0.000 3/45738 810.0 5.373 5.373 0.742 -0.000 -0.000 -0.000 3/45738 820.0 5.306 5.306 0.733 -0.000 -0.000 -0.000 3/45738 830.0 5.241 5.241 0.725 -0.000 -0.000 -0.000 3/45738 840.0 5.177 5.177 0.716 -0.000 -0.000 -0.000 3/45738 850.0 5.115 5.115 0.708 -0.000 -0.000 -0.000 3/45738 860.0 5.055 5.055 0.700 -0.000 -0.000 -0.000 3/45738 870.0 4.996 4.996 0.692 -0.000 -0.000 -0.000 3/45738 880.0 4.938 4.938 0.684 -0.000 -0.000 -0.000 3/45738 890.0 4.882 4.882 0.677 -0.000 -0.000 -0.000 3/45738 900.0 4.827 4.827 0.670 -0.000 -0.000 -0.000 3/45738 910.0 4.773 4.773 0.662 -0.000 -0.000 -0.000 3/45738 920.0 4.720 4.720 0.655 -0.000 -0.000 -0.000 3/45738 930.0 4.669 4.669 0.649 -0.000 -0.000 -0.000 3/45738 940.0 4.619 4.619 0.642 -0.000 -0.000 -0.000 3/45738 950.0 4.570 4.570 0.635 -0.000 -0.000 -0.000 3/45738 960.0 4.521 4.521 0.629 -0.000 -0.000 -0.000 3/45738 970.0 4.474 4.474 0.622 -0.000 -0.000 -0.000 3/45738 980.0 4.428 4.428 0.616 -0.000 -0.000 -0.000 3/45738 990.0 4.383 4.383 0.610 -0.000 -0.000 -0.000 3/45738 1000.0 4.339 4.339 0.604 -0.000 -0.000 -0.000 3/45738 Thermal conductivity related properties were written into "kappa-m11117.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:40:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|