----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 18:51:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.251598460000740 -4.105019394999999 0.000000000000000 b 5.251598460000740 4.105019394999999 0.000000000000000 c -0.186484417054566 0.000000000000000 5.471929440927790 Atomic positions (fractional): *1 Ca 0.97811625136039 0.25289965046478 0.54595736725494 40.078 2 Ca 0.02188374863961 0.74710034953522 0.45404263274506 40.078 *3 Ca 0.39855243141617 0.60144756858383 0.75000000000000 40.078 4 Ca 0.60144756858383 0.39855243141617 0.25000000000000 40.078 5 Ca 0.25289965046478 0.97811625136039 0.04595736725494 40.078 6 Ca 0.74710034953522 0.02188374863961 0.95404263274506 40.078 *7 Al 0.82324081970790 0.58525502301750 0.91064392086813 26.982 8 Al 0.17675918029210 0.41474497698250 0.08935607913187 26.982 9 Al 0.41474497698250 0.17675918029210 0.58935607913187 26.982 10 Al 0.58525502301750 0.82324081970790 0.41064392086813 26.982 *11 N 0.94130486288265 0.30107204670692 0.01964375560223 14.007 *12 N 0.58688367121030 0.73706680676630 0.07853684411742 14.007 13 N 0.69892795329308 0.05869513711735 0.48035624439777 14.007 14 N 0.73706680676630 0.58688367121030 0.57853684411742 14.007 15 N 0.30107204670692 0.94130486288265 0.51964375560223 14.007 16 N 0.26293319323370 0.41311632878970 0.42146315588258 14.007 17 N 0.05869513711735 0.69892795329308 0.98035624439777 14.007 18 N 0.41311632878970 0.26293319323370 0.92146315588258 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.503196920001480 0.000000000000000 0.000000000000000 b 0.000000000000000 8.210038789999999 0.000000000000000 c -0.186484417054566 0.000000000000000 5.471929440927790 Atomic positions (fractional): *1 Ca 0.61550795091258 0.63739169955220 0.54595736725494 40.078 > 1 2 Ca 0.38449204908742 0.36260830044780 0.45404263274506 40.078 > 2 *3 Ca 0.50000000000000 0.10144756858383 0.75000000000000 40.078 > 3 4 Ca 0.50000000000000 0.89855243141617 0.25000000000000 40.078 > 4 5 Ca 0.61550795091258 0.36260830044780 0.04595736725494 40.078 > 5 6 Ca 0.38449204908742 0.63739169955220 0.95404263274506 40.078 > 6 7 Ca 0.11550795091258 0.13739169955220 0.54595736725494 40.078 > 1 8 Ca 0.88449204908742 0.86260830044780 0.45404263274506 40.078 > 2 9 Ca 0.00000000000000 0.60144756858383 0.75000000000000 40.078 > 3 10 Ca 0.00000000000000 0.39855243141617 0.25000000000000 40.078 > 4 11 Ca 0.11550795091258 0.86260830044780 0.04595736725494 40.078 > 5 12 Ca 0.88449204908742 0.13739169955220 0.95404263274506 40.078 > 6 *13 Al 0.70424792136270 0.88100710165480 0.91064392086813 26.982 > 7 14 Al 0.29575207863730 0.11899289834520 0.08935607913187 26.982 > 8 15 Al 0.29575207863730 0.88100710165480 0.58935607913187 26.982 > 9 16 Al 0.70424792136270 0.11899289834520 0.41064392086813 26.982 > 10 17 Al 0.20424792136270 0.38100710165480 0.91064392086813 26.982 > 7 18 Al 0.79575207863730 0.61899289834520 0.08935607913187 26.982 > 8 19 Al 0.79575207863730 0.38100710165480 0.58935607913187 26.982 > 9 20 Al 0.20424792136270 0.61899289834520 0.41064392086813 26.982 > 10 *21 N 0.62118845479478 0.67988359191213 0.01964375560223 14.007 > 11 *22 N 0.66197523898830 0.07509156777800 0.07853684411742 14.007 > 12 23 N 0.37881154520522 0.67988359191213 0.48035624439777 14.007 > 13 24 N 0.66197523898830 0.92490843222200 0.57853684411742 14.007 > 14 25 N 0.62118845479478 0.32011640808787 0.51964375560223 14.007 > 15 26 N 0.33802476101170 0.07509156777800 0.42146315588258 14.007 > 16 27 N 0.37881154520522 0.32011640808787 0.98035624439777 14.007 > 17 28 N 0.33802476101170 0.92490843222200 0.92146315588258 14.007 > 18 29 N 0.12118845479478 0.17988359191213 0.01964375560223 14.007 > 11 30 N 0.16197523898830 0.57509156777800 0.07853684411742 14.007 > 12 31 N 0.87881154520522 0.17988359191213 0.48035624439777 14.007 > 13 32 N 0.16197523898830 0.42490843222200 0.57853684411742 14.007 > 14 33 N 0.12118845479478 0.82011640808787 0.51964375560223 14.007 > 15 34 N 0.83802476101170 0.57509156777800 0.42146315588258 14.007 > 16 35 N 0.87881154520522 0.82011640808787 0.98035624439777 14.007 > 17 36 N 0.83802476101170 0.42490843222200 0.92146315588258 14.007 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.503196920001480 0.000000000000000 0.000000000000000 b 0.000000000000000 16.420077579999997 0.000000000000000 c -0.372968834109132 0.000000000000000 10.943858881855579 Atomic positions (fractional): *1 Ca 0.61550795091258 0.31869584977610 0.27297868362747 40.078 > 1 2 Ca 0.61550795091258 0.81869584977610 0.27297868362747 40.078 > 1 3 Ca 0.61550795091258 0.31869584977610 0.77297868362747 40.078 > 1 4 Ca 0.61550795091258 0.81869584977610 0.77297868362747 40.078 > 1 5 Ca 0.38449204908742 0.18130415022390 0.22702131637253 40.078 > 2 6 Ca 0.38449204908742 0.68130415022390 0.22702131637253 40.078 > 2 7 Ca 0.38449204908742 0.18130415022390 0.72702131637253 40.078 > 2 8 Ca 0.38449204908742 0.68130415022390 0.72702131637253 40.078 > 2 *9 Ca 0.50000000000000 0.05072378429192 0.37500000000000 40.078 > 3 10 Ca 0.50000000000000 0.55072378429192 0.37500000000000 40.078 > 3 11 Ca 0.50000000000000 0.05072378429192 0.87500000000000 40.078 > 3 12 Ca 0.50000000000000 0.55072378429192 0.87500000000000 40.078 > 3 13 Ca 0.50000000000000 0.44927621570808 0.12500000000000 40.078 > 4 14 Ca 0.50000000000000 0.94927621570808 0.12500000000000 40.078 > 4 15 Ca 0.50000000000000 0.44927621570808 0.62500000000000 40.078 > 4 16 Ca 0.50000000000000 0.94927621570808 0.62500000000000 40.078 > 4 17 Ca 0.61550795091258 0.18130415022390 0.02297868362747 40.078 > 5 18 Ca 0.61550795091258 0.68130415022390 0.02297868362747 40.078 > 5 19 Ca 0.61550795091258 0.18130415022390 0.52297868362747 40.078 > 5 20 Ca 0.61550795091258 0.68130415022390 0.52297868362747 40.078 > 5 21 Ca 0.38449204908742 0.31869584977610 0.47702131637253 40.078 > 6 22 Ca 0.38449204908742 0.81869584977610 0.47702131637253 40.078 > 6 23 Ca 0.38449204908742 0.31869584977610 0.97702131637253 40.078 > 6 24 Ca 0.38449204908742 0.81869584977610 0.97702131637253 40.078 > 6 25 Ca 0.11550795091258 0.06869584977610 0.27297868362747 40.078 > 1 26 Ca 0.11550795091258 0.56869584977610 0.27297868362747 40.078 > 1 27 Ca 0.11550795091258 0.06869584977610 0.77297868362747 40.078 > 1 28 Ca 0.11550795091258 0.56869584977610 0.77297868362747 40.078 > 1 29 Ca 0.88449204908742 0.43130415022390 0.22702131637253 40.078 > 2 30 Ca 0.88449204908742 0.93130415022390 0.22702131637253 40.078 > 2 31 Ca 0.88449204908742 0.43130415022390 0.72702131637253 40.078 > 2 32 Ca 0.88449204908742 0.93130415022390 0.72702131637253 40.078 > 2 33 Ca 0.00000000000000 0.30072378429192 0.37500000000000 40.078 > 3 34 Ca 0.00000000000000 0.80072378429192 0.37500000000000 40.078 > 3 35 Ca 0.00000000000000 0.30072378429192 0.87500000000000 40.078 > 3 36 Ca 0.00000000000000 0.80072378429192 0.87500000000000 40.078 > 3 37 Ca 0.00000000000000 0.19927621570808 0.12500000000000 40.078 > 4 38 Ca 0.00000000000000 0.69927621570808 0.12500000000000 40.078 > 4 39 Ca 0.00000000000000 0.19927621570808 0.62500000000000 40.078 > 4 40 Ca 0.00000000000000 0.69927621570808 0.62500000000000 40.078 > 4 41 Ca 0.11550795091258 0.43130415022390 0.02297868362747 40.078 > 5 42 Ca 0.11550795091258 0.93130415022390 0.02297868362747 40.078 > 5 43 Ca 0.11550795091258 0.43130415022390 0.52297868362747 40.078 > 5 44 Ca 0.11550795091258 0.93130415022390 0.52297868362747 40.078 > 5 45 Ca 0.88449204908742 0.06869584977610 0.47702131637253 40.078 > 6 46 Ca 0.88449204908742 0.56869584977610 0.47702131637253 40.078 > 6 47 Ca 0.88449204908742 0.06869584977610 0.97702131637253 40.078 > 6 48 Ca 0.88449204908742 0.56869584977610 0.97702131637253 40.078 > 6 *49 Al 0.70424792136270 0.44050355082740 0.45532196043406 26.982 > 7 50 Al 0.70424792136270 0.94050355082740 0.45532196043406 26.982 > 7 51 Al 0.70424792136270 0.44050355082740 0.95532196043406 26.982 > 7 52 Al 0.70424792136270 0.94050355082740 0.95532196043406 26.982 > 7 53 Al 0.29575207863730 0.05949644917260 0.04467803956594 26.982 > 8 54 Al 0.29575207863730 0.55949644917260 0.04467803956594 26.982 > 8 55 Al 0.29575207863730 0.05949644917260 0.54467803956594 26.982 > 8 56 Al 0.29575207863730 0.55949644917260 0.54467803956594 26.982 > 8 57 Al 0.29575207863730 0.44050355082740 0.29467803956594 26.982 > 9 58 Al 0.29575207863730 0.94050355082740 0.29467803956594 26.982 > 9 59 Al 0.29575207863730 0.44050355082740 0.79467803956594 26.982 > 9 60 Al 0.29575207863730 0.94050355082740 0.79467803956594 26.982 > 9 61 Al 0.70424792136270 0.05949644917260 0.20532196043406 26.982 > 10 62 Al 0.70424792136270 0.55949644917260 0.20532196043406 26.982 > 10 63 Al 0.70424792136270 0.05949644917260 0.70532196043406 26.982 > 10 64 Al 0.70424792136270 0.55949644917260 0.70532196043406 26.982 > 10 65 Al 0.20424792136270 0.19050355082740 0.45532196043406 26.982 > 7 66 Al 0.20424792136270 0.69050355082740 0.45532196043406 26.982 > 7 67 Al 0.20424792136270 0.19050355082740 0.95532196043406 26.982 > 7 68 Al 0.20424792136270 0.69050355082740 0.95532196043406 26.982 > 7 69 Al 0.79575207863730 0.30949644917260 0.04467803956594 26.982 > 8 70 Al 0.79575207863730 0.80949644917260 0.04467803956594 26.982 > 8 71 Al 0.79575207863730 0.30949644917260 0.54467803956594 26.982 > 8 72 Al 0.79575207863730 0.80949644917260 0.54467803956594 26.982 > 8 73 Al 0.79575207863730 0.19050355082740 0.29467803956594 26.982 > 9 74 Al 0.79575207863730 0.69050355082740 0.29467803956594 26.982 > 9 75 Al 0.79575207863730 0.19050355082740 0.79467803956594 26.982 > 9 76 Al 0.79575207863730 0.69050355082740 0.79467803956594 26.982 > 9 77 Al 0.20424792136270 0.30949644917260 0.20532196043406 26.982 > 10 78 Al 0.20424792136270 0.80949644917260 0.20532196043406 26.982 > 10 79 Al 0.20424792136270 0.30949644917260 0.70532196043406 26.982 > 10 80 Al 0.20424792136270 0.80949644917260 0.70532196043406 26.982 > 10 *81 N 0.62118845479478 0.33994179595607 0.00982187780111 14.007 > 11 82 N 0.62118845479478 0.83994179595607 0.00982187780111 14.007 > 11 83 N 0.62118845479478 0.33994179595607 0.50982187780111 14.007 > 11 84 N 0.62118845479478 0.83994179595607 0.50982187780111 14.007 > 11 *85 N 0.66197523898830 0.03754578388900 0.03926842205871 14.007 > 12 86 N 0.66197523898830 0.53754578388900 0.03926842205871 14.007 > 12 87 N 0.66197523898830 0.03754578388900 0.53926842205871 14.007 > 12 88 N 0.66197523898830 0.53754578388900 0.53926842205871 14.007 > 12 89 N 0.37881154520522 0.33994179595607 0.24017812219889 14.007 > 13 90 N 0.37881154520522 0.83994179595607 0.24017812219889 14.007 > 13 91 N 0.37881154520522 0.33994179595607 0.74017812219889 14.007 > 13 92 N 0.37881154520522 0.83994179595607 0.74017812219889 14.007 > 13 93 N 0.66197523898830 0.46245421611100 0.28926842205871 14.007 > 14 94 N 0.66197523898830 0.96245421611100 0.28926842205871 14.007 > 14 95 N 0.66197523898830 0.46245421611100 0.78926842205871 14.007 > 14 96 N 0.66197523898830 0.96245421611100 0.78926842205871 14.007 > 14 97 N 0.62118845479478 0.16005820404393 0.25982187780111 14.007 > 15 98 N 0.62118845479478 0.66005820404393 0.25982187780111 14.007 > 15 99 N 0.62118845479478 0.16005820404393 0.75982187780111 14.007 > 15 100 N 0.62118845479478 0.66005820404393 0.75982187780111 14.007 > 15 101 N 0.33802476101170 0.03754578388900 0.21073157794129 14.007 > 16 102 N 0.33802476101170 0.53754578388900 0.21073157794129 14.007 > 16 103 N 0.33802476101170 0.03754578388900 0.71073157794129 14.007 > 16 104 N 0.33802476101170 0.53754578388900 0.71073157794129 14.007 > 16 105 N 0.37881154520522 0.16005820404393 0.49017812219889 14.007 > 17 106 N 0.37881154520522 0.66005820404393 0.49017812219889 14.007 > 17 107 N 0.37881154520522 0.16005820404393 0.99017812219889 14.007 > 17 108 N 0.37881154520522 0.66005820404393 0.99017812219889 14.007 > 17 109 N 0.33802476101170 0.46245421611100 0.46073157794129 14.007 > 18 110 N 0.33802476101170 0.96245421611100 0.46073157794129 14.007 > 18 111 N 0.33802476101170 0.46245421611100 0.96073157794129 14.007 > 18 112 N 0.33802476101170 0.96245421611100 0.96073157794129 14.007 > 18 113 N 0.12118845479478 0.08994179595607 0.00982187780111 14.007 > 11 114 N 0.12118845479478 0.58994179595607 0.00982187780111 14.007 > 11 115 N 0.12118845479478 0.08994179595607 0.50982187780111 14.007 > 11 116 N 0.12118845479478 0.58994179595607 0.50982187780111 14.007 > 11 117 N 0.16197523898830 0.28754578388900 0.03926842205871 14.007 > 12 118 N 0.16197523898830 0.78754578388900 0.03926842205871 14.007 > 12 119 N 0.16197523898830 0.28754578388900 0.53926842205871 14.007 > 12 120 N 0.16197523898830 0.78754578388900 0.53926842205871 14.007 > 12 121 N 0.87881154520522 0.08994179595607 0.24017812219889 14.007 > 13 122 N 0.87881154520522 0.58994179595607 0.24017812219889 14.007 > 13 123 N 0.87881154520522 0.08994179595607 0.74017812219889 14.007 > 13 124 N 0.87881154520522 0.58994179595607 0.74017812219889 14.007 > 13 125 N 0.16197523898830 0.21245421611100 0.28926842205871 14.007 > 14 126 N 0.16197523898830 0.71245421611100 0.28926842205871 14.007 > 14 127 N 0.16197523898830 0.21245421611100 0.78926842205871 14.007 > 14 128 N 0.16197523898830 0.71245421611100 0.78926842205871 14.007 > 14 129 N 0.12118845479478 0.41005820404393 0.25982187780111 14.007 > 15 130 N 0.12118845479478 0.91005820404393 0.25982187780111 14.007 > 15 131 N 0.12118845479478 0.41005820404393 0.75982187780111 14.007 > 15 132 N 0.12118845479478 0.91005820404393 0.75982187780111 14.007 > 15 133 N 0.83802476101170 0.28754578388900 0.21073157794129 14.007 > 16 134 N 0.83802476101170 0.78754578388900 0.21073157794129 14.007 > 16 135 N 0.83802476101170 0.28754578388900 0.71073157794129 14.007 > 16 136 N 0.83802476101170 0.78754578388900 0.71073157794129 14.007 > 16 137 N 0.87881154520522 0.41005820404393 0.49017812219889 14.007 > 17 138 N 0.87881154520522 0.91005820404393 0.49017812219889 14.007 > 17 139 N 0.87881154520522 0.41005820404393 0.99017812219889 14.007 > 17 140 N 0.87881154520522 0.91005820404393 0.99017812219889 14.007 > 17 141 N 0.83802476101170 0.21245421611100 0.46073157794129 14.007 > 18 142 N 0.83802476101170 0.71245421611100 0.46073157794129 14.007 > 18 143 N 0.83802476101170 0.21245421611100 0.96073157794129 14.007 > 18 144 N 0.83802476101170 0.71245421611100 0.96073157794129 14.007 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6316337 0.0000000 0.0394064 0.0000000 5.6884369 0.0000000 0.0394083 0.0000000 5.5020798 -------------------------- Born effective charges -------------------------- 1 Ca 2.4164168 -0.1945931 -0.0136853 -0.1496958 2.5522401 0.0887992 0.0291316 0.0559767 2.2459681 2 Ca 2.4164168 -0.1945931 -0.0136853 -0.1496958 2.5522401 0.0887992 0.0291316 0.0559767 2.2459681 3 Ca 2.6963985 0.0000000 -0.0397076 0.0000000 1.9740587 0.0000000 0.0689915 0.0000000 2.2416169 4 Ca 2.6963985 0.0000000 -0.0397076 0.0000000 1.9740587 0.0000000 0.0689915 0.0000000 2.2416169 5 Ca 2.4164168 0.1945931 -0.0136853 0.1496958 2.5522401 -0.0887992 0.0291316 -0.0559767 2.2459681 6 Ca 2.4164168 0.1945931 -0.0136853 0.1496958 2.5522401 -0.0887992 0.0291316 -0.0559767 2.2459681 7 Al 2.0461771 -0.1229485 0.1148306 -0.2046050 2.5246422 -0.1360297 0.0081561 -0.0978338 2.2693596 8 Al 2.0461771 -0.1229485 0.1148306 -0.2046050 2.5246422 -0.1360297 0.0081561 -0.0978338 2.2693596 9 Al 2.0461771 0.1229485 0.1148306 0.2046050 2.5246422 0.1360297 0.0081561 0.0978338 2.2693596 10 Al 2.0461771 0.1229485 0.1148306 0.2046050 2.5246422 0.1360297 0.0081561 0.0978338 2.2693596 11 N -3.1521284 0.0072429 0.0700736 -0.0065507 -3.0086341 0.0972995 0.0505483 0.1203753 -2.4941931 12 N -2.6586647 -0.0167884 -0.1513651 0.0061139 -3.0552776 -0.2610395 -0.1223317 -0.2847206 -3.1419430 13 N -3.1521284 -0.0072429 0.0700736 0.0065507 -3.0086341 -0.0972995 0.0505483 -0.1203753 -2.4941931 14 N -2.6586647 0.0167884 -0.1513651 -0.0061139 -3.0552776 0.2610395 -0.1223317 0.2847206 -3.1419430 15 N -3.1521284 -0.0072429 0.0700736 0.0065507 -3.0086341 -0.0972995 0.0505483 -0.1203753 -2.4941931 16 N -2.6586647 0.0167884 -0.1513651 -0.0061139 -3.0552776 0.2610395 -0.1223317 0.2847206 -3.1419430 17 N -3.1521284 0.0072429 0.0700736 -0.0065507 -3.0086341 0.0972995 0.0505483 0.1203753 -2.4941931 18 N -2.6586647 -0.0167884 -0.1513651 0.0061139 -3.0552776 -0.2610395 -0.1223317 -0.2847206 -3.1419430 ---------------------------------------------------------------------------- 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: 13968/13968 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3026 Number of blocks in projector: 3026 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 652 / 652 (1) 146 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 140 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 140 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 362 Use standard eigh solver. Tree of FC basis block matrices: - (3026, 2986), data: False |-- (362, 357), data: True |-- (362, 357), data: True |-- (362, 357), data: True |-- (644, 636), data: False |-- (644, 4), data: (644, 12) @ (12, 4) |-- (144, 140), data: True |-- (500, 492), data: False |-- (500, 7), data: (500, 15) @ (15, 7) |-- (250, 243), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 4), data: (644, 12) @ (12, 4) |-- (144, 140), data: True |-- (500, 492), data: False |-- (500, 7), data: (500, 15) @ (15, 7) |-- (250, 243), data: True |-- (250, 242), data: True |-- (652, 643), data: False |-- (652, 6), data: (652, 15) @ (15, 6) |-- (152, 146), data: True |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 560 - Time: 1.160 Solver_block: 200 / 560 - Time: 1.038 Solver_block: 300 / 560 - Time: 1.031 Solver_block: 400 / 560 - Time: 1.076 Solver_block: 500 / 560 - Time: 1.058 Solver_block: 560 / 560 - Time: 0.676 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.163 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 13968/13968 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3026 Number of blocks in projector: 3026 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 652 / 652 (1) 146 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 140 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 140 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 362 Use standard eigh solver. Tree of FC basis block matrices: - (3026, 2986), data: False |-- (362, 357), data: True |-- (362, 357), data: True |-- (362, 357), data: True |-- (644, 636), data: False |-- (644, 4), data: (644, 12) @ (12, 4) |-- (144, 140), data: True |-- (500, 492), data: False |-- (500, 7), data: (500, 15) @ (15, 7) |-- (250, 243), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 4), data: (644, 12) @ (12, 4) |-- (144, 140), data: True |-- (500, 492), data: False |-- (500, 7), data: (500, 15) @ (15, 7) |-- (250, 243), data: True |-- (250, 242), data: True |-- (652, 643), data: False |-- (652, 6), data: (652, 15) @ (15, 6) |-- (152, 146), data: True |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) 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 18:52:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:52:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.251598460000740 -4.105019394999999 0.000000000000000 b 5.251598460000740 4.105019394999999 0.000000000000000 c -0.186484417054566 0.000000000000000 5.471929440927790 Atomic positions (fractional): 1 Ca 0.97811625136039 0.25289965046478 0.54595736725494 40.078 2 Ca 0.02188374863961 0.74710034953522 0.45404263274506 40.078 3 Ca 0.39855243141617 0.60144756858383 0.75000000000000 40.078 4 Ca 0.60144756858383 0.39855243141617 0.25000000000000 40.078 5 Ca 0.25289965046478 0.97811625136039 0.04595736725494 40.078 6 Ca 0.74710034953522 0.02188374863961 0.95404263274506 40.078 7 Al 0.82324081970790 0.58525502301750 0.91064392086813 26.982 8 Al 0.17675918029210 0.41474497698250 0.08935607913187 26.982 9 Al 0.41474497698250 0.17675918029210 0.58935607913187 26.982 10 Al 0.58525502301750 0.82324081970790 0.41064392086813 26.982 11 N 0.94130486288265 0.30107204670692 0.01964375560223 14.007 12 N 0.58688367121030 0.73706680676630 0.07853684411742 14.007 13 N 0.69892795329308 0.05869513711735 0.48035624439777 14.007 14 N 0.73706680676630 0.58688367121030 0.57853684411742 14.007 15 N 0.30107204670692 0.94130486288265 0.51964375560223 14.007 16 N 0.26293319323370 0.41311632878970 0.42146315588258 14.007 17 N 0.05869513711735 0.69892795329308 0.98035624439777 14.007 18 N 0.41311632878970 0.26293319323370 0.92146315588258 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.503196920001480 0.000000000000000 0.000000000000000 b 0.000000000000000 16.420077579999997 0.000000000000000 c -0.372968834109132 0.000000000000000 10.943858881855579 Atomic positions (fractional): 1 Ca 0.61550795091258 0.31869584977610 0.27297868362747 40.078 > 1 2 Ca 0.61550795091258 0.81869584977610 0.27297868362747 40.078 > 1 3 Ca 0.61550795091258 0.31869584977610 0.77297868362747 40.078 > 1 4 Ca 0.61550795091258 0.81869584977610 0.77297868362747 40.078 > 1 5 Ca 0.38449204908742 0.18130415022390 0.22702131637253 40.078 > 5 6 Ca 0.38449204908742 0.68130415022390 0.22702131637253 40.078 > 5 7 Ca 0.38449204908742 0.18130415022390 0.72702131637253 40.078 > 5 8 Ca 0.38449204908742 0.68130415022390 0.72702131637253 40.078 > 5 9 Ca 0.50000000000000 0.05072378429192 0.37500000000000 40.078 > 9 10 Ca 0.50000000000000 0.55072378429192 0.37500000000000 40.078 > 9 11 Ca 0.50000000000000 0.05072378429192 0.87500000000000 40.078 > 9 12 Ca 0.50000000000000 0.55072378429192 0.87500000000000 40.078 > 9 13 Ca 0.50000000000000 0.44927621570808 0.12500000000000 40.078 > 13 14 Ca 0.50000000000000 0.94927621570808 0.12500000000000 40.078 > 13 15 Ca 0.50000000000000 0.44927621570808 0.62500000000000 40.078 > 13 16 Ca 0.50000000000000 0.94927621570808 0.62500000000000 40.078 > 13 17 Ca 0.61550795091258 0.18130415022390 0.02297868362747 40.078 > 17 18 Ca 0.61550795091258 0.68130415022390 0.02297868362747 40.078 > 17 19 Ca 0.61550795091258 0.18130415022390 0.52297868362747 40.078 > 17 20 Ca 0.61550795091258 0.68130415022390 0.52297868362747 40.078 > 17 21 Ca 0.38449204908742 0.31869584977610 0.47702131637253 40.078 > 21 22 Ca 0.38449204908742 0.81869584977610 0.47702131637253 40.078 > 21 23 Ca 0.38449204908742 0.31869584977610 0.97702131637253 40.078 > 21 24 Ca 0.38449204908742 0.81869584977610 0.97702131637253 40.078 > 21 25 Ca 0.11550795091258 0.06869584977610 0.27297868362747 40.078 > 1 26 Ca 0.11550795091258 0.56869584977610 0.27297868362747 40.078 > 1 27 Ca 0.11550795091258 0.06869584977610 0.77297868362747 40.078 > 1 28 Ca 0.11550795091258 0.56869584977610 0.77297868362747 40.078 > 1 29 Ca 0.88449204908742 0.43130415022390 0.22702131637253 40.078 > 5 30 Ca 0.88449204908742 0.93130415022390 0.22702131637253 40.078 > 5 31 Ca 0.88449204908742 0.43130415022390 0.72702131637253 40.078 > 5 32 Ca 0.88449204908742 0.93130415022390 0.72702131637253 40.078 > 5 33 Ca 0.00000000000000 0.30072378429192 0.37500000000000 40.078 > 9 34 Ca 0.00000000000000 0.80072378429192 0.37500000000000 40.078 > 9 35 Ca 0.00000000000000 0.30072378429192 0.87500000000000 40.078 > 9 36 Ca 0.00000000000000 0.80072378429192 0.87500000000000 40.078 > 9 37 Ca 0.00000000000000 0.19927621570808 0.12500000000000 40.078 > 13 38 Ca 0.00000000000000 0.69927621570808 0.12500000000000 40.078 > 13 39 Ca 0.00000000000000 0.19927621570808 0.62500000000000 40.078 > 13 40 Ca 0.00000000000000 0.69927621570808 0.62500000000000 40.078 > 13 41 Ca 0.11550795091258 0.43130415022390 0.02297868362747 40.078 > 17 42 Ca 0.11550795091258 0.93130415022390 0.02297868362747 40.078 > 17 43 Ca 0.11550795091258 0.43130415022390 0.52297868362747 40.078 > 17 44 Ca 0.11550795091258 0.93130415022390 0.52297868362747 40.078 > 17 45 Ca 0.88449204908742 0.06869584977610 0.47702131637253 40.078 > 21 46 Ca 0.88449204908742 0.56869584977610 0.47702131637253 40.078 > 21 47 Ca 0.88449204908742 0.06869584977610 0.97702131637253 40.078 > 21 48 Ca 0.88449204908742 0.56869584977610 0.97702131637253 40.078 > 21 49 Al 0.70424792136270 0.44050355082740 0.45532196043406 26.982 > 49 50 Al 0.70424792136270 0.94050355082740 0.45532196043406 26.982 > 49 51 Al 0.70424792136270 0.44050355082740 0.95532196043406 26.982 > 49 52 Al 0.70424792136270 0.94050355082740 0.95532196043406 26.982 > 49 53 Al 0.29575207863730 0.05949644917260 0.04467803956594 26.982 > 53 54 Al 0.29575207863730 0.55949644917260 0.04467803956594 26.982 > 53 55 Al 0.29575207863730 0.05949644917260 0.54467803956594 26.982 > 53 56 Al 0.29575207863730 0.55949644917260 0.54467803956594 26.982 > 53 57 Al 0.29575207863730 0.44050355082740 0.29467803956594 26.982 > 57 58 Al 0.29575207863730 0.94050355082740 0.29467803956594 26.982 > 57 59 Al 0.29575207863730 0.44050355082740 0.79467803956594 26.982 > 57 60 Al 0.29575207863730 0.94050355082740 0.79467803956594 26.982 > 57 61 Al 0.70424792136270 0.05949644917260 0.20532196043406 26.982 > 61 62 Al 0.70424792136270 0.55949644917260 0.20532196043406 26.982 > 61 63 Al 0.70424792136270 0.05949644917260 0.70532196043406 26.982 > 61 64 Al 0.70424792136270 0.55949644917260 0.70532196043406 26.982 > 61 65 Al 0.20424792136270 0.19050355082740 0.45532196043406 26.982 > 49 66 Al 0.20424792136270 0.69050355082740 0.45532196043406 26.982 > 49 67 Al 0.20424792136270 0.19050355082740 0.95532196043406 26.982 > 49 68 Al 0.20424792136270 0.69050355082740 0.95532196043406 26.982 > 49 69 Al 0.79575207863730 0.30949644917260 0.04467803956594 26.982 > 53 70 Al 0.79575207863730 0.80949644917260 0.04467803956594 26.982 > 53 71 Al 0.79575207863730 0.30949644917260 0.54467803956594 26.982 > 53 72 Al 0.79575207863730 0.80949644917260 0.54467803956594 26.982 > 53 73 Al 0.79575207863730 0.19050355082740 0.29467803956594 26.982 > 57 74 Al 0.79575207863730 0.69050355082740 0.29467803956594 26.982 > 57 75 Al 0.79575207863730 0.19050355082740 0.79467803956594 26.982 > 57 76 Al 0.79575207863730 0.69050355082740 0.79467803956594 26.982 > 57 77 Al 0.20424792136270 0.30949644917260 0.20532196043406 26.982 > 61 78 Al 0.20424792136270 0.80949644917260 0.20532196043406 26.982 > 61 79 Al 0.20424792136270 0.30949644917260 0.70532196043406 26.982 > 61 80 Al 0.20424792136270 0.80949644917260 0.70532196043406 26.982 > 61 81 N 0.62118845479478 0.33994179595607 0.00982187780111 14.007 > 81 82 N 0.62118845479478 0.83994179595607 0.00982187780111 14.007 > 81 83 N 0.62118845479478 0.33994179595607 0.50982187780111 14.007 > 81 84 N 0.62118845479478 0.83994179595607 0.50982187780111 14.007 > 81 85 N 0.66197523898830 0.03754578388900 0.03926842205871 14.007 > 85 86 N 0.66197523898830 0.53754578388900 0.03926842205871 14.007 > 85 87 N 0.66197523898830 0.03754578388900 0.53926842205871 14.007 > 85 88 N 0.66197523898830 0.53754578388900 0.53926842205871 14.007 > 85 89 N 0.37881154520522 0.33994179595607 0.24017812219889 14.007 > 89 90 N 0.37881154520522 0.83994179595607 0.24017812219889 14.007 > 89 91 N 0.37881154520522 0.33994179595607 0.74017812219889 14.007 > 89 92 N 0.37881154520522 0.83994179595607 0.74017812219889 14.007 > 89 93 N 0.66197523898830 0.46245421611100 0.28926842205871 14.007 > 93 94 N 0.66197523898830 0.96245421611100 0.28926842205871 14.007 > 93 95 N 0.66197523898830 0.46245421611100 0.78926842205871 14.007 > 93 96 N 0.66197523898830 0.96245421611100 0.78926842205871 14.007 > 93 97 N 0.62118845479478 0.16005820404393 0.25982187780111 14.007 > 97 98 N 0.62118845479478 0.66005820404393 0.25982187780111 14.007 > 97 99 N 0.62118845479478 0.16005820404393 0.75982187780111 14.007 > 97 100 N 0.62118845479478 0.66005820404393 0.75982187780111 14.007 > 97 101 N 0.33802476101170 0.03754578388900 0.21073157794129 14.007 > 101 102 N 0.33802476101170 0.53754578388900 0.21073157794129 14.007 > 101 103 N 0.33802476101170 0.03754578388900 0.71073157794129 14.007 > 101 104 N 0.33802476101170 0.53754578388900 0.71073157794129 14.007 > 101 105 N 0.37881154520522 0.16005820404393 0.49017812219889 14.007 > 105 106 N 0.37881154520522 0.66005820404393 0.49017812219889 14.007 > 105 107 N 0.37881154520522 0.16005820404393 0.99017812219889 14.007 > 105 108 N 0.37881154520522 0.66005820404393 0.99017812219889 14.007 > 105 109 N 0.33802476101170 0.46245421611100 0.46073157794129 14.007 > 109 110 N 0.33802476101170 0.96245421611100 0.46073157794129 14.007 > 109 111 N 0.33802476101170 0.46245421611100 0.96073157794129 14.007 > 109 112 N 0.33802476101170 0.96245421611100 0.96073157794129 14.007 > 109 113 N 0.12118845479478 0.08994179595607 0.00982187780111 14.007 > 81 114 N 0.12118845479478 0.58994179595607 0.00982187780111 14.007 > 81 115 N 0.12118845479478 0.08994179595607 0.50982187780111 14.007 > 81 116 N 0.12118845479478 0.58994179595607 0.50982187780111 14.007 > 81 117 N 0.16197523898830 0.28754578388900 0.03926842205871 14.007 > 85 118 N 0.16197523898830 0.78754578388900 0.03926842205871 14.007 > 85 119 N 0.16197523898830 0.28754578388900 0.53926842205871 14.007 > 85 120 N 0.16197523898830 0.78754578388900 0.53926842205871 14.007 > 85 121 N 0.87881154520522 0.08994179595607 0.24017812219889 14.007 > 89 122 N 0.87881154520522 0.58994179595607 0.24017812219889 14.007 > 89 123 N 0.87881154520522 0.08994179595607 0.74017812219889 14.007 > 89 124 N 0.87881154520522 0.58994179595607 0.74017812219889 14.007 > 89 125 N 0.16197523898830 0.21245421611100 0.28926842205871 14.007 > 93 126 N 0.16197523898830 0.71245421611100 0.28926842205871 14.007 > 93 127 N 0.16197523898830 0.21245421611100 0.78926842205871 14.007 > 93 128 N 0.16197523898830 0.71245421611100 0.78926842205871 14.007 > 93 129 N 0.12118845479478 0.41005820404393 0.25982187780111 14.007 > 97 130 N 0.12118845479478 0.91005820404393 0.25982187780111 14.007 > 97 131 N 0.12118845479478 0.41005820404393 0.75982187780111 14.007 > 97 132 N 0.12118845479478 0.91005820404393 0.75982187780111 14.007 > 97 133 N 0.83802476101170 0.28754578388900 0.21073157794129 14.007 > 101 134 N 0.83802476101170 0.78754578388900 0.21073157794129 14.007 > 101 135 N 0.83802476101170 0.28754578388900 0.71073157794129 14.007 > 101 136 N 0.83802476101170 0.78754578388900 0.71073157794129 14.007 > 101 137 N 0.87881154520522 0.41005820404393 0.49017812219889 14.007 > 105 138 N 0.87881154520522 0.91005820404393 0.49017812219889 14.007 > 105 139 N 0.87881154520522 0.41005820404393 0.99017812219889 14.007 > 105 140 N 0.87881154520522 0.91005820404393 0.99017812219889 14.007 > 105 141 N 0.83802476101170 0.21245421611100 0.46073157794129 14.007 > 109 142 N 0.83802476101170 0.71245421611100 0.46073157794129 14.007 > 109 143 N 0.83802476101170 0.21245421611100 0.96073157794129 14.007 > 109 144 N 0.83802476101170 0.71245421611100 0.96073157794129 14.007 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6316337 0.0000000 0.0394064 0.0000000 5.6884369 0.0000000 0.0394083 0.0000000 5.5020798 -------------------------- Born effective charges -------------------------- 1 Ca 2.4164168 -0.1945931 -0.0136853 -0.1496958 2.5522401 0.0887992 0.0291316 0.0559767 2.2459681 2 Ca 2.4164168 -0.1945931 -0.0136853 -0.1496958 2.5522401 0.0887992 0.0291316 0.0559767 2.2459681 3 Ca 2.6963985 0.0000000 -0.0397076 0.0000000 1.9740587 0.0000000 0.0689915 0.0000000 2.2416169 4 Ca 2.6963985 0.0000000 -0.0397076 0.0000000 1.9740587 0.0000000 0.0689915 0.0000000 2.2416169 5 Ca 2.4164168 0.1945931 -0.0136853 0.1496958 2.5522401 -0.0887992 0.0291316 -0.0559767 2.2459681 6 Ca 2.4164168 0.1945931 -0.0136853 0.1496958 2.5522401 -0.0887992 0.0291316 -0.0559767 2.2459681 7 Al 2.0461771 -0.1229485 0.1148306 -0.2046050 2.5246422 -0.1360297 0.0081561 -0.0978338 2.2693596 8 Al 2.0461771 -0.1229485 0.1148306 -0.2046050 2.5246422 -0.1360297 0.0081561 -0.0978338 2.2693596 9 Al 2.0461771 0.1229485 0.1148306 0.2046050 2.5246422 0.1360297 0.0081561 0.0978338 2.2693596 10 Al 2.0461771 0.1229485 0.1148306 0.2046050 2.5246422 0.1360297 0.0081561 0.0978338 2.2693596 11 N -3.1521284 0.0072429 0.0700736 -0.0065507 -3.0086341 0.0972995 0.0505483 0.1203753 -2.4941931 12 N -2.6586647 -0.0167884 -0.1513651 0.0061139 -3.0552776 -0.2610395 -0.1223317 -0.2847206 -3.1419430 13 N -3.1521284 -0.0072429 0.0700736 0.0065507 -3.0086341 -0.0972995 0.0505483 -0.1203753 -2.4941931 14 N -2.6586647 0.0167884 -0.1513651 -0.0061139 -3.0552776 0.2610395 -0.1223317 0.2847206 -3.1419430 15 N -3.1521284 -0.0072429 0.0700736 0.0065507 -3.0086341 -0.0972995 0.0505483 -0.1203753 -2.4941931 16 N -2.6586647 0.0167884 -0.1513651 -0.0061139 -3.0552776 0.2610395 -0.1223317 0.2847206 -3.1419430 17 N -3.1521284 0.0072429 0.0700736 -0.0065507 -3.0086341 0.0972995 0.0505483 0.1203753 -2.4941931 18 N -2.6586647 -0.0167884 -0.1513651 0.0061139 -3.0552776 -0.2610395 -0.1223317 -0.2847206 -3.1419430 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:52:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:52:45]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.251598460000740 -4.105019394999999 0.000000000000000 b 5.251598460000740 4.105019394999999 0.000000000000000 c -0.186484417054566 0.000000000000000 5.471929440927790 Atomic positions (fractional): 1 Ca 0.97811625136039 0.25289965046478 0.54595736725494 40.078 2 Ca 0.02188374863961 0.74710034953522 0.45404263274506 40.078 3 Ca 0.39855243141617 0.60144756858383 0.75000000000000 40.078 4 Ca 0.60144756858383 0.39855243141617 0.25000000000000 40.078 5 Ca 0.25289965046478 0.97811625136039 0.04595736725494 40.078 6 Ca 0.74710034953522 0.02188374863961 0.95404263274506 40.078 7 Al 0.82324081970790 0.58525502301750 0.91064392086813 26.982 8 Al 0.17675918029210 0.41474497698250 0.08935607913187 26.982 9 Al 0.41474497698250 0.17675918029210 0.58935607913187 26.982 10 Al 0.58525502301750 0.82324081970790 0.41064392086813 26.982 11 N 0.94130486288265 0.30107204670692 0.01964375560223 14.007 12 N 0.58688367121030 0.73706680676630 0.07853684411742 14.007 13 N 0.69892795329308 0.05869513711735 0.48035624439777 14.007 14 N 0.73706680676630 0.58688367121030 0.57853684411742 14.007 15 N 0.30107204670692 0.94130486288265 0.51964375560223 14.007 16 N 0.26293319323370 0.41311632878970 0.42146315588258 14.007 17 N 0.05869513711735 0.69892795329308 0.98035624439777 14.007 18 N 0.41311632878970 0.26293319323370 0.92146315588258 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.503196920001480 0.000000000000000 0.000000000000000 b 0.000000000000000 16.420077579999997 0.000000000000000 c -0.372968834109132 0.000000000000000 10.943858881855579 Atomic positions (fractional): 1 Ca 0.61550795091258 0.31869584977610 0.27297868362747 40.078 > 1 2 Ca 0.61550795091258 0.81869584977610 0.27297868362747 40.078 > 1 3 Ca 0.61550795091258 0.31869584977610 0.77297868362747 40.078 > 1 4 Ca 0.61550795091258 0.81869584977610 0.77297868362747 40.078 > 1 5 Ca 0.38449204908742 0.18130415022390 0.22702131637253 40.078 > 5 6 Ca 0.38449204908742 0.68130415022390 0.22702131637253 40.078 > 5 7 Ca 0.38449204908742 0.18130415022390 0.72702131637253 40.078 > 5 8 Ca 0.38449204908742 0.68130415022390 0.72702131637253 40.078 > 5 9 Ca 0.50000000000000 0.05072378429192 0.37500000000000 40.078 > 9 10 Ca 0.50000000000000 0.55072378429192 0.37500000000000 40.078 > 9 11 Ca 0.50000000000000 0.05072378429192 0.87500000000000 40.078 > 9 12 Ca 0.50000000000000 0.55072378429192 0.87500000000000 40.078 > 9 13 Ca 0.50000000000000 0.44927621570808 0.12500000000000 40.078 > 13 14 Ca 0.50000000000000 0.94927621570808 0.12500000000000 40.078 > 13 15 Ca 0.50000000000000 0.44927621570808 0.62500000000000 40.078 > 13 16 Ca 0.50000000000000 0.94927621570808 0.62500000000000 40.078 > 13 17 Ca 0.61550795091258 0.18130415022390 0.02297868362747 40.078 > 17 18 Ca 0.61550795091258 0.68130415022390 0.02297868362747 40.078 > 17 19 Ca 0.61550795091258 0.18130415022390 0.52297868362747 40.078 > 17 20 Ca 0.61550795091258 0.68130415022390 0.52297868362747 40.078 > 17 21 Ca 0.38449204908742 0.31869584977610 0.47702131637253 40.078 > 21 22 Ca 0.38449204908742 0.81869584977610 0.47702131637253 40.078 > 21 23 Ca 0.38449204908742 0.31869584977610 0.97702131637253 40.078 > 21 24 Ca 0.38449204908742 0.81869584977610 0.97702131637253 40.078 > 21 25 Ca 0.11550795091258 0.06869584977610 0.27297868362747 40.078 > 1 26 Ca 0.11550795091258 0.56869584977610 0.27297868362747 40.078 > 1 27 Ca 0.11550795091258 0.06869584977610 0.77297868362747 40.078 > 1 28 Ca 0.11550795091258 0.56869584977610 0.77297868362747 40.078 > 1 29 Ca 0.88449204908742 0.43130415022390 0.22702131637253 40.078 > 5 30 Ca 0.88449204908742 0.93130415022390 0.22702131637253 40.078 > 5 31 Ca 0.88449204908742 0.43130415022390 0.72702131637253 40.078 > 5 32 Ca 0.88449204908742 0.93130415022390 0.72702131637253 40.078 > 5 33 Ca 0.00000000000000 0.30072378429192 0.37500000000000 40.078 > 9 34 Ca 0.00000000000000 0.80072378429192 0.37500000000000 40.078 > 9 35 Ca 0.00000000000000 0.30072378429192 0.87500000000000 40.078 > 9 36 Ca 0.00000000000000 0.80072378429192 0.87500000000000 40.078 > 9 37 Ca 0.00000000000000 0.19927621570808 0.12500000000000 40.078 > 13 38 Ca 0.00000000000000 0.69927621570808 0.12500000000000 40.078 > 13 39 Ca 0.00000000000000 0.19927621570808 0.62500000000000 40.078 > 13 40 Ca 0.00000000000000 0.69927621570808 0.62500000000000 40.078 > 13 41 Ca 0.11550795091258 0.43130415022390 0.02297868362747 40.078 > 17 42 Ca 0.11550795091258 0.93130415022390 0.02297868362747 40.078 > 17 43 Ca 0.11550795091258 0.43130415022390 0.52297868362747 40.078 > 17 44 Ca 0.11550795091258 0.93130415022390 0.52297868362747 40.078 > 17 45 Ca 0.88449204908742 0.06869584977610 0.47702131637253 40.078 > 21 46 Ca 0.88449204908742 0.56869584977610 0.47702131637253 40.078 > 21 47 Ca 0.88449204908742 0.06869584977610 0.97702131637253 40.078 > 21 48 Ca 0.88449204908742 0.56869584977610 0.97702131637253 40.078 > 21 49 Al 0.70424792136270 0.44050355082740 0.45532196043406 26.982 > 49 50 Al 0.70424792136270 0.94050355082740 0.45532196043406 26.982 > 49 51 Al 0.70424792136270 0.44050355082740 0.95532196043406 26.982 > 49 52 Al 0.70424792136270 0.94050355082740 0.95532196043406 26.982 > 49 53 Al 0.29575207863730 0.05949644917260 0.04467803956594 26.982 > 53 54 Al 0.29575207863730 0.55949644917260 0.04467803956594 26.982 > 53 55 Al 0.29575207863730 0.05949644917260 0.54467803956594 26.982 > 53 56 Al 0.29575207863730 0.55949644917260 0.54467803956594 26.982 > 53 57 Al 0.29575207863730 0.44050355082740 0.29467803956594 26.982 > 57 58 Al 0.29575207863730 0.94050355082740 0.29467803956594 26.982 > 57 59 Al 0.29575207863730 0.44050355082740 0.79467803956594 26.982 > 57 60 Al 0.29575207863730 0.94050355082740 0.79467803956594 26.982 > 57 61 Al 0.70424792136270 0.05949644917260 0.20532196043406 26.982 > 61 62 Al 0.70424792136270 0.55949644917260 0.20532196043406 26.982 > 61 63 Al 0.70424792136270 0.05949644917260 0.70532196043406 26.982 > 61 64 Al 0.70424792136270 0.55949644917260 0.70532196043406 26.982 > 61 65 Al 0.20424792136270 0.19050355082740 0.45532196043406 26.982 > 49 66 Al 0.20424792136270 0.69050355082740 0.45532196043406 26.982 > 49 67 Al 0.20424792136270 0.19050355082740 0.95532196043406 26.982 > 49 68 Al 0.20424792136270 0.69050355082740 0.95532196043406 26.982 > 49 69 Al 0.79575207863730 0.30949644917260 0.04467803956594 26.982 > 53 70 Al 0.79575207863730 0.80949644917260 0.04467803956594 26.982 > 53 71 Al 0.79575207863730 0.30949644917260 0.54467803956594 26.982 > 53 72 Al 0.79575207863730 0.80949644917260 0.54467803956594 26.982 > 53 73 Al 0.79575207863730 0.19050355082740 0.29467803956594 26.982 > 57 74 Al 0.79575207863730 0.69050355082740 0.29467803956594 26.982 > 57 75 Al 0.79575207863730 0.19050355082740 0.79467803956594 26.982 > 57 76 Al 0.79575207863730 0.69050355082740 0.79467803956594 26.982 > 57 77 Al 0.20424792136270 0.30949644917260 0.20532196043406 26.982 > 61 78 Al 0.20424792136270 0.80949644917260 0.20532196043406 26.982 > 61 79 Al 0.20424792136270 0.30949644917260 0.70532196043406 26.982 > 61 80 Al 0.20424792136270 0.80949644917260 0.70532196043406 26.982 > 61 81 N 0.62118845479478 0.33994179595607 0.00982187780111 14.007 > 81 82 N 0.62118845479478 0.83994179595607 0.00982187780111 14.007 > 81 83 N 0.62118845479478 0.33994179595607 0.50982187780111 14.007 > 81 84 N 0.62118845479478 0.83994179595607 0.50982187780111 14.007 > 81 85 N 0.66197523898830 0.03754578388900 0.03926842205871 14.007 > 85 86 N 0.66197523898830 0.53754578388900 0.03926842205871 14.007 > 85 87 N 0.66197523898830 0.03754578388900 0.53926842205871 14.007 > 85 88 N 0.66197523898830 0.53754578388900 0.53926842205871 14.007 > 85 89 N 0.37881154520522 0.33994179595607 0.24017812219889 14.007 > 89 90 N 0.37881154520522 0.83994179595607 0.24017812219889 14.007 > 89 91 N 0.37881154520522 0.33994179595607 0.74017812219889 14.007 > 89 92 N 0.37881154520522 0.83994179595607 0.74017812219889 14.007 > 89 93 N 0.66197523898830 0.46245421611100 0.28926842205871 14.007 > 93 94 N 0.66197523898830 0.96245421611100 0.28926842205871 14.007 > 93 95 N 0.66197523898830 0.46245421611100 0.78926842205871 14.007 > 93 96 N 0.66197523898830 0.96245421611100 0.78926842205871 14.007 > 93 97 N 0.62118845479478 0.16005820404393 0.25982187780111 14.007 > 97 98 N 0.62118845479478 0.66005820404393 0.25982187780111 14.007 > 97 99 N 0.62118845479478 0.16005820404393 0.75982187780111 14.007 > 97 100 N 0.62118845479478 0.66005820404393 0.75982187780111 14.007 > 97 101 N 0.33802476101170 0.03754578388900 0.21073157794129 14.007 > 101 102 N 0.33802476101170 0.53754578388900 0.21073157794129 14.007 > 101 103 N 0.33802476101170 0.03754578388900 0.71073157794129 14.007 > 101 104 N 0.33802476101170 0.53754578388900 0.71073157794129 14.007 > 101 105 N 0.37881154520522 0.16005820404393 0.49017812219889 14.007 > 105 106 N 0.37881154520522 0.66005820404393 0.49017812219889 14.007 > 105 107 N 0.37881154520522 0.16005820404393 0.99017812219889 14.007 > 105 108 N 0.37881154520522 0.66005820404393 0.99017812219889 14.007 > 105 109 N 0.33802476101170 0.46245421611100 0.46073157794129 14.007 > 109 110 N 0.33802476101170 0.96245421611100 0.46073157794129 14.007 > 109 111 N 0.33802476101170 0.46245421611100 0.96073157794129 14.007 > 109 112 N 0.33802476101170 0.96245421611100 0.96073157794129 14.007 > 109 113 N 0.12118845479478 0.08994179595607 0.00982187780111 14.007 > 81 114 N 0.12118845479478 0.58994179595607 0.00982187780111 14.007 > 81 115 N 0.12118845479478 0.08994179595607 0.50982187780111 14.007 > 81 116 N 0.12118845479478 0.58994179595607 0.50982187780111 14.007 > 81 117 N 0.16197523898830 0.28754578388900 0.03926842205871 14.007 > 85 118 N 0.16197523898830 0.78754578388900 0.03926842205871 14.007 > 85 119 N 0.16197523898830 0.28754578388900 0.53926842205871 14.007 > 85 120 N 0.16197523898830 0.78754578388900 0.53926842205871 14.007 > 85 121 N 0.87881154520522 0.08994179595607 0.24017812219889 14.007 > 89 122 N 0.87881154520522 0.58994179595607 0.24017812219889 14.007 > 89 123 N 0.87881154520522 0.08994179595607 0.74017812219889 14.007 > 89 124 N 0.87881154520522 0.58994179595607 0.74017812219889 14.007 > 89 125 N 0.16197523898830 0.21245421611100 0.28926842205871 14.007 > 93 126 N 0.16197523898830 0.71245421611100 0.28926842205871 14.007 > 93 127 N 0.16197523898830 0.21245421611100 0.78926842205871 14.007 > 93 128 N 0.16197523898830 0.71245421611100 0.78926842205871 14.007 > 93 129 N 0.12118845479478 0.41005820404393 0.25982187780111 14.007 > 97 130 N 0.12118845479478 0.91005820404393 0.25982187780111 14.007 > 97 131 N 0.12118845479478 0.41005820404393 0.75982187780111 14.007 > 97 132 N 0.12118845479478 0.91005820404393 0.75982187780111 14.007 > 97 133 N 0.83802476101170 0.28754578388900 0.21073157794129 14.007 > 101 134 N 0.83802476101170 0.78754578388900 0.21073157794129 14.007 > 101 135 N 0.83802476101170 0.28754578388900 0.71073157794129 14.007 > 101 136 N 0.83802476101170 0.78754578388900 0.71073157794129 14.007 > 101 137 N 0.87881154520522 0.41005820404393 0.49017812219889 14.007 > 105 138 N 0.87881154520522 0.91005820404393 0.49017812219889 14.007 > 105 139 N 0.87881154520522 0.41005820404393 0.99017812219889 14.007 > 105 140 N 0.87881154520522 0.91005820404393 0.99017812219889 14.007 > 105 141 N 0.83802476101170 0.21245421611100 0.46073157794129 14.007 > 109 142 N 0.83802476101170 0.71245421611100 0.46073157794129 14.007 > 109 143 N 0.83802476101170 0.21245421611100 0.96073157794129 14.007 > 109 144 N 0.83802476101170 0.71245421611100 0.96073157794129 14.007 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.6316337 0.0000000 0.0394064 0.0000000 5.6884369 0.0000000 0.0394083 0.0000000 5.5020798 -------------------------- Born effective charges -------------------------- 1 Ca 2.4164168 -0.1945931 -0.0136853 -0.1496958 2.5522401 0.0887992 0.0291316 0.0559767 2.2459681 2 Ca 2.4164168 -0.1945931 -0.0136853 -0.1496958 2.5522401 0.0887992 0.0291316 0.0559767 2.2459681 3 Ca 2.6963985 0.0000000 -0.0397076 0.0000000 1.9740587 0.0000000 0.0689915 0.0000000 2.2416169 4 Ca 2.6963985 0.0000000 -0.0397076 0.0000000 1.9740587 0.0000000 0.0689915 0.0000000 2.2416169 5 Ca 2.4164168 0.1945931 -0.0136853 0.1496958 2.5522401 -0.0887992 0.0291316 -0.0559767 2.2459681 6 Ca 2.4164168 0.1945931 -0.0136853 0.1496958 2.5522401 -0.0887992 0.0291316 -0.0559767 2.2459681 7 Al 2.0461771 -0.1229485 0.1148306 -0.2046050 2.5246422 -0.1360297 0.0081561 -0.0978338 2.2693596 8 Al 2.0461771 -0.1229485 0.1148306 -0.2046050 2.5246422 -0.1360297 0.0081561 -0.0978338 2.2693596 9 Al 2.0461771 0.1229485 0.1148306 0.2046050 2.5246422 0.1360297 0.0081561 0.0978338 2.2693596 10 Al 2.0461771 0.1229485 0.1148306 0.2046050 2.5246422 0.1360297 0.0081561 0.0978338 2.2693596 11 N -3.1521284 0.0072429 0.0700736 -0.0065507 -3.0086341 0.0972995 0.0505483 0.1203753 -2.4941931 12 N -2.6586647 -0.0167884 -0.1513651 0.0061139 -3.0552776 -0.2610395 -0.1223317 -0.2847206 -3.1419430 13 N -3.1521284 -0.0072429 0.0700736 0.0065507 -3.0086341 -0.0972995 0.0505483 -0.1203753 -2.4941931 14 N -2.6586647 0.0167884 -0.1513651 -0.0061139 -3.0552776 0.2610395 -0.1223317 0.2847206 -3.1419430 15 N -3.1521284 -0.0072429 0.0700736 0.0065507 -3.0086341 -0.0972995 0.0505483 -0.1203753 -2.4941931 16 N -2.6586647 0.0167884 -0.1513651 -0.0061139 -3.0552776 0.2610395 -0.1223317 0.2847206 -3.1419430 17 N -3.1521284 0.0072429 0.0700736 -0.0065507 -3.0086341 0.0972995 0.0505483 0.1203753 -2.4941931 18 N -2.6586647 -0.0167884 -0.1513651 0.0061139 -3.0552776 -0.2610395 -0.1223317 -0.2847206 -3.1419430 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 9 ] 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: 0.67, Number of G-points: 305, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/165) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 165 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 3.674 ( 0.000 0.000 0.000) 0.000 3.957 ( 0.000 0.000 0.000) 0.000 4.196 ( 0.000 0.000 0.000) 0.000 4.256 ( 0.000 0.000 0.000) 0.000 4.624 ( 0.000 0.000 0.000) 0.000 4.774 ( 0.000 0.000 0.000) 0.000 5.412 ( 0.000 0.000 0.000) 0.000 5.430 ( 0.000 0.000 0.000) 0.000 5.980 ( 0.000 0.000 0.000) 0.000 6.375 ( 0.000 0.000 0.000) 0.000 6.971 ( 0.000 0.000 0.000) 0.000 7.129 ( 0.000 0.000 0.000) 0.000 7.167 ( 0.000 0.000 0.000) 0.000 7.512 ( 0.000 0.000 0.000) 0.000 7.549 ( 0.000 0.000 0.000) 0.000 7.740 ( 0.000 0.000 0.000) 0.000 7.963 ( 0.000 0.000 0.000) 0.000 8.058 ( 0.000 0.000 0.000) 0.000 8.092 ( 0.000 0.000 0.000) 0.000 8.311 ( 0.000 0.000 0.000) 0.000 9.221 ( 0.000 0.000 0.000) 0.000 9.412 ( 0.000 0.000 0.000) 0.000 9.546 ( 0.000 0.000 0.000) 0.000 9.834 ( 0.000 0.000 0.000) 0.000 10.244 ( 0.000 0.000 0.000) 0.000 10.270 ( 0.000 0.000 0.000) 0.000 11.168 ( 0.000 0.000 0.000) 0.000 11.253 ( 0.000 0.000 0.000) 0.000 11.657 ( 0.000 0.000 0.000) 0.000 12.257 ( 0.000 0.000 0.000) 0.000 13.032 ( 0.000 0.000 0.000) 0.000 13.136 ( 0.000 0.000 0.000) 0.000 13.429 ( 0.000 0.000 0.000) 0.000 14.135 ( 0.000 0.000 0.000) 0.000 14.245 ( 0.000 0.000 0.000) 0.000 14.292 ( 0.000 0.000 0.000) 0.000 14.651 ( 0.000 0.000 0.000) 0.000 15.054 ( 0.000 0.000 0.000) 0.000 15.269 ( 0.000 0.000 0.000) 0.000 16.494 ( 0.000 0.000 0.000) 0.000 16.834 ( 0.000 0.000 0.000) 0.000 16.999 ( 0.000 0.000 0.000) 0.000 17.323 ( 0.000 0.000 0.000) 0.000 18.010 ( 0.000 0.000 0.000) 0.000 18.265 ( 0.000 0.000 0.000) 0.000 18.786 ( 0.000 0.000 0.000) 0.000 18.796 ( 0.000 0.000 0.000) 0.000 20.374 ( 0.000 0.000 0.000) 0.000 20.576 ( 0.000 0.000 0.000) 0.000 21.623 ( 0.000 0.000 0.000) 0.000 22.323 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/165) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 18.494 -43.108 -11.050) 48.191 0.973 ( 37.550 -33.938 -12.434) 52.119 1.609 ( 48.481 -64.545 19.811) 83.120 3.604 ( -2.883 6.089 -3.326) 7.513 3.816 ( -10.734 7.751 -5.118) 14.195 4.142 ( -5.249 -4.541 -4.380) 8.206 4.296 ( 8.398 9.437 5.879) 13.934 4.726 ( 9.953 -1.523 -1.820) 10.232 4.795 ( 6.379 7.793 8.066) 12.903 5.414 ( -5.900 -7.738 7.910) 12.540 5.540 ( 5.024 -1.420 -5.053) 7.266 6.046 ( 7.346 5.755 10.959) 14.394 6.401 ( 0.812 -2.272 -2.253) 3.301 6.931 ( -8.559 -1.717 1.593) 8.873 6.981 ( -10.198 6.417 -3.089) 12.438 7.224 ( 6.107 3.487 -1.436) 7.178 7.550 ( 7.154 1.516 -1.978) 7.576 7.646 ( -3.799 5.386 -0.933) 6.657 7.776 ( -18.382 4.829 -2.139) 19.126 8.030 ( -16.154 -15.936 4.761) 23.186 8.095 ( 3.565 -1.861 -1.107) 4.171 8.376 ( -4.628 -26.039 0.405) 26.450 8.487 ( -0.899 -5.589 5.234) 7.709 9.157 ( -15.124 8.929 -3.647) 17.938 9.470 ( 5.957 5.104 -2.622) 8.271 9.683 ( 3.881 12.605 4.310) 13.875 10.167 ( 26.039 5.048 -9.264) 28.095 10.427 ( 1.637 -15.461 1.147) 15.590 10.919 ( 16.624 16.736 -7.857) 24.863 11.197 ( 1.371 7.311 -0.157) 7.440 11.417 ( 5.281 0.105 -6.974) 8.748 11.703 ( 3.151 -2.395 -3.450) 5.251 12.226 ( 1.418 4.646 4.667) 6.736 12.927 ( 0.287 12.748 -12.693) 17.992 13.114 ( 1.021 4.014 0.329) 4.155 13.426 ( 1.007 2.070 4.381) 4.949 14.077 ( 0.326 5.910 -0.909) 5.989 14.293 ( -0.638 -4.838 -3.714) 6.132 14.304 ( -0.722 -2.394 1.646) 2.994 14.822 ( -3.950 -19.493 -1.919) 19.981 15.254 ( 2.281 2.480 5.377) 6.346 15.817 ( -28.121 -27.406 -3.894) 39.459 16.641 ( -8.062 -2.799 -3.943) 9.401 16.992 ( -5.338 -0.372 5.194) 7.457 17.209 ( -2.769 9.258 0.303) 9.668 17.520 ( -18.955 -7.755 -3.116) 20.716 18.351 ( -3.773 -11.848 1.274) 12.500 18.590 ( 2.311 10.408 -1.039) 10.712 19.057 ( 0.972 -18.343 -1.361) 18.419 19.933 ( 58.255 45.659 -39.493) 83.893 20.386 ( 2.641 5.000 40.281) 40.676 20.604 ( 3.398 -0.388 5.987) 6.895 22.301 ( -2.576 0.666 -1.243) 2.936 22.826 ( -38.591 -29.868 12.602) 50.400 ======================= Grid point 2 (3/165) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 16.819 -38.869 -10.538) 43.643 1.895 ( 34.402 -30.506 -14.651) 48.257 3.009 ( 30.537 -40.698 14.412) 52.882 3.487 ( -0.142 2.329 -1.491) 2.770 3.640 ( -3.960 -6.751 5.142) 9.365 4.081 ( 6.150 18.843 7.799) 21.300 4.263 ( -1.901 -8.077 -0.328) 8.305 4.711 ( -1.230 6.428 5.495) 8.545 4.907 ( 13.352 -3.152 -2.205) 13.895 5.442 ( -4.390 0.396 2.645) 5.140 5.595 ( -0.076 -2.799 -3.635) 4.589 6.102 ( 5.867 -2.284 3.885) 7.398 6.441 ( -1.176 -2.790 -3.046) 4.294 6.696 ( -9.526 13.202 0.774) 16.299 6.860 ( -6.884 -1.521 -1.265) 7.163 7.216 ( 4.918 4.881 -1.598) 7.111 7.432 ( -11.888 7.997 -0.311) 14.331 7.521 ( -6.696 4.492 -9.163) 12.205 7.658 ( 5.632 0.730 -0.038) 5.680 8.135 ( -8.509 -9.742 4.022) 13.546 8.189 ( 1.883 -5.544 -2.507) 6.369 8.465 ( -0.301 5.533 3.015) 6.308 8.715 ( 6.348 -15.447 0.899) 16.725 8.856 ( -12.426 4.627 5.568) 14.381 9.377 ( -5.204 4.573 -1.834) 7.166 9.672 ( 8.860 -0.131 -1.751) 9.032 10.369 ( 13.299 0.857 -6.897) 15.005 10.631 ( 1.852 -4.138 0.632) 4.577 10.828 ( -2.535 4.785 -4.811) 7.244 11.113 ( 1.674 4.436 1.725) 5.045 11.505 ( -2.248 -9.376 -3.367) 10.213 11.769 ( 5.818 0.843 -3.378) 6.781 12.194 ( 1.458 0.334 7.260) 7.413 12.731 ( -0.256 10.561 -9.933) 14.501 13.027 ( 2.362 10.303 0.453) 10.580 13.377 ( -0.455 5.037 3.728) 6.283 14.037 ( 2.251 0.933 -1.710) 2.977 14.256 ( -1.908 1.168 -2.629) 3.452 14.465 ( 0.649 -10.996 0.806) 11.045 14.991 ( -7.405 -9.323 -5.298) 13.031 15.342 ( 5.636 -9.381 9.330) 14.381 15.895 ( -13.373 -14.277 0.288) 19.564 16.563 ( 1.085 8.328 -5.630) 10.111 16.775 ( -7.703 13.944 6.699) 17.281 17.157 ( 2.875 -0.524 1.425) 3.251 17.413 ( -7.657 0.342 -4.274) 8.776 18.471 ( -3.218 -7.119 0.750) 7.849 18.522 ( 1.476 0.707 -1.118) 1.982 19.335 ( -2.803 -19.049 -0.621) 19.264 19.904 ( 28.537 24.540 -19.028) 42.174 20.357 ( -0.351 1.882 14.638) 14.762 20.659 ( 3.579 -0.632 5.493) 6.587 22.248 ( -3.587 1.078 -1.708) 4.116 22.827 ( -16.074 -12.452 6.179) 21.251 ======================= Grid point 3 (4/165) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( 14.337 -29.946 -9.362) 34.496 2.652 ( 23.362 -21.631 -18.057) 36.603 3.266 ( 0.722 -1.652 0.340) 1.835 3.370 ( -8.723 3.663 7.371) 11.993 3.738 ( 0.624 24.002 9.159) 25.698 4.162 ( 2.922 -15.470 7.608) 17.485 4.519 ( -0.144 4.034 5.820) 7.083 4.824 ( 25.941 -34.085 10.038) 43.995 5.136 ( 9.232 -8.189 2.974) 12.694 5.299 ( -4.545 7.582 -2.888) 9.299 5.576 ( -4.561 1.069 -5.853) 7.497 6.208 ( 2.070 -2.566 -1.502) 3.622 6.411 ( -9.409 1.843 0.923) 9.633 6.443 ( -0.148 9.924 -1.862) 10.099 6.833 ( 0.398 -1.213 -5.842) 5.980 7.189 ( -7.544 7.707 0.026) 10.785 7.213 ( 5.792 3.610 0.623) 6.853 7.391 ( -6.842 2.949 -3.043) 8.048 7.655 ( 0.098 6.103 -1.643) 6.321 7.922 ( -14.473 7.234 -5.658) 17.141 8.294 ( -3.216 -9.207 -6.036) 11.470 8.475 ( 7.727 6.298 11.622) 15.312 8.735 ( -6.663 -3.679 5.247) 9.244 9.014 ( 8.909 -10.111 4.125) 14.093 9.290 ( -4.929 -1.647 -2.464) 5.752 9.847 ( 6.187 -10.232 -2.918) 12.307 10.370 ( 3.439 10.972 0.947) 11.537 10.549 ( 0.966 14.965 -6.575) 16.374 10.815 ( -7.138 -12.541 -3.366) 14.818 11.072 ( 3.300 7.261 1.994) 8.221 11.634 ( -2.625 -10.105 1.571) 10.558 11.820 ( 5.434 1.248 -2.427) 6.080 12.283 ( -0.556 -10.543 4.515) 11.483 12.617 ( -0.298 3.738 -6.245) 7.285 12.862 ( 3.685 15.335 0.497) 15.779 13.281 ( -1.145 5.417 1.431) 5.718 14.085 ( 2.851 -2.445 -0.892) 3.861 14.217 ( -1.714 1.299 -1.586) 2.672 14.612 ( 0.290 -6.806 0.398) 6.824 14.992 ( -3.872 -2.085 -2.369) 4.995 15.618 ( 4.648 -16.384 7.448) 18.588 15.917 ( -7.425 -5.209 1.598) 9.210 16.316 ( -9.167 15.212 -5.745) 18.667 16.609 ( 6.471 7.869 2.403) 10.467 17.212 ( 2.688 -1.301 3.029) 4.254 17.333 ( -4.644 0.213 -3.983) 6.122 18.498 ( 4.112 1.754 -0.242) 4.477 18.567 ( -4.979 -6.176 -0.131) 7.934 19.560 ( -6.651 -17.655 1.543) 18.929 19.846 ( 17.577 18.416 -10.534) 27.552 20.336 ( -0.531 0.691 5.659) 5.726 20.704 ( 2.083 -0.437 2.958) 3.644 22.194 ( -2.507 0.856 -1.183) 2.901 22.828 ( -6.727 -5.222 2.929) 9.006 ======================= Grid point 4 (5/165) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( 0.000 0.000 0.000) 0.000 2.976 ( 0.000 -0.000 0.000) 0.000 3.263 ( 0.000 -0.000 -0.000) 0.000 3.358 ( 0.000 0.000 0.000) 0.000 3.422 ( 0.000 -0.000 -0.000) 0.000 4.366 ( 0.000 -0.000 -0.000) 0.000 4.372 ( 0.000 -0.000 -0.000) 0.000 5.112 ( 0.000 -0.000 -0.000) 0.000 5.251 ( 0.000 -0.000 0.000) 0.000 5.433 ( -0.000 -0.000 -0.000) 0.000 5.755 ( -0.000 0.000 -0.000) 0.000 6.051 ( 0.000 -0.000 0.000) 0.000 6.284 ( 0.000 -0.000 -0.000) 0.000 6.377 ( 0.000 -0.000 0.000) 0.000 6.948 ( -0.000 0.000 0.000) 0.000 6.973 ( 0.000 -0.000 -0.000) 0.000 7.237 ( 0.000 0.000 0.000) 0.000 7.313 ( 0.000 -0.000 -0.000) 0.000 7.545 ( 0.000 -0.000 0.000) 0.000 7.812 ( 0.000 -0.000 0.000) 0.000 8.372 ( 0.000 0.000 0.000) 0.000 8.429 ( -0.000 -0.000 -0.000) 0.000 8.734 ( 0.000 -0.000 -0.000) 0.000 9.181 ( -0.000 0.000 -0.000) 0.000 9.273 ( 0.000 -0.000 0.000) 0.000 10.038 ( 0.000 0.000 0.000) 0.000 10.243 ( 0.000 -0.000 0.000) 0.000 10.388 ( 0.000 0.000 -0.000) 0.000 10.914 ( 0.000 0.000 0.000) 0.000 10.997 ( 0.000 -0.000 -0.000) 0.000 11.704 ( 0.000 -0.000 -0.000) 0.000 11.843 ( 0.000 -0.000 -0.000) 0.000 12.417 ( 0.000 0.000 -0.000) 0.000 12.580 ( 0.000 -0.000 -0.000) 0.000 12.728 ( 0.000 -0.000 -0.000) 0.000 13.225 ( 0.000 -0.000 0.000) 0.000 14.145 ( 0.000 -0.000 -0.000) 0.000 14.176 ( -0.000 0.000 0.000) 0.000 14.667 ( 0.000 -0.000 0.000) 0.000 14.984 ( 0.000 -0.000 -0.000) 0.000 15.887 ( 0.000 -0.000 -0.000) 0.000 15.906 ( 0.000 0.000 0.000) 0.000 16.026 ( -0.000 0.000 -0.000) 0.000 16.596 ( 0.000 -0.000 0.000) 0.000 17.244 ( 0.000 0.000 0.000) 0.000 17.299 ( -0.000 -0.000 -0.000) 0.000 18.514 ( 0.000 0.000 0.000) 0.000 18.580 ( -0.000 -0.000 -0.000) 0.000 19.689 ( -0.000 -0.000 0.000) 0.000 19.775 ( 0.000 0.000 0.000) 0.000 20.329 ( 0.000 -0.000 0.000) 0.000 20.721 ( 0.000 -0.000 -0.000) 0.000 22.171 ( 0.000 -0.000 -0.000) 0.000 22.828 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/165) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 47.016 0.000 21.670) 51.770 1.177 ( 48.026 0.000 14.506) 50.169 1.901 ( 78.368 0.000 -10.999) 79.136 3.619 ( -4.670 -0.000 -2.973) 5.537 3.721 ( -15.651 -0.000 -7.517) 17.363 3.971 ( -7.222 -0.000 -4.342) 8.427 4.489 ( 6.457 0.000 2.673) 6.989 4.880 ( 14.098 0.000 -5.543) 15.149 5.030 ( 9.803 0.000 21.205) 23.361 5.198 ( -7.486 -0.000 2.676) 7.950 5.607 ( 6.423 0.000 -4.541) 7.866 6.104 ( -10.522 -0.000 21.068) 23.549 6.385 ( -0.458 -0.000 -4.294) 4.319 6.788 ( -12.319 -0.000 3.712) 12.866 7.029 ( -3.271 -0.000 -19.831) 20.099 7.306 ( -13.606 -0.000 -4.323) 14.276 7.322 ( 5.404 0.000 6.498) 8.452 7.588 ( -14.194 -0.000 1.699) 14.295 7.712 ( 8.684 0.000 7.142) 11.243 7.792 ( 3.239 0.000 -3.066) 4.460 8.149 ( 5.056 0.000 -1.045) 5.163 8.281 ( 13.964 0.000 4.211) 14.585 8.688 ( 18.038 0.000 0.421) 18.043 9.039 ( -17.176 -0.000 -8.588) 19.204 9.552 ( -3.892 -0.000 -7.219) 8.201 9.782 ( -0.508 -0.000 6.516) 6.535 10.138 ( -4.788 -0.000 1.043) 4.901 10.357 ( 3.380 0.000 -2.228) 4.048 11.131 ( -2.262 -0.000 -5.593) 6.033 11.297 ( 3.478 0.000 -0.688) 3.545 11.672 ( -14.979 -0.000 -20.974) 25.773 11.726 ( 5.626 0.000 -6.691) 8.742 12.271 ( 0.203 0.000 7.464) 7.466 13.082 ( 0.738 0.000 -33.307) 33.315 13.157 ( 1.572 0.000 0.220) 1.588 13.487 ( 3.427 0.000 12.142) 12.616 14.122 ( -0.680 -0.000 0.710) 0.984 14.236 ( -1.126 -0.000 -4.673) 4.807 14.265 ( -1.475 -0.000 -0.530) 1.567 14.609 ( -3.484 -0.000 7.111) 7.919 15.066 ( 0.892 0.000 2.070) 2.254 15.322 ( 2.411 0.000 4.643) 5.232 16.550 ( 4.160 0.000 -0.763) 4.229 17.029 ( 2.225 0.000 8.603) 8.886 17.216 ( -6.516 -0.000 2.715) 7.059 17.500 ( 6.951 0.000 -2.336) 7.333 18.214 ( -3.737 -0.000 -1.186) 3.920 18.760 ( -2.984 -0.000 -4.148) 5.110 18.837 ( 4.224 0.000 -0.362) 4.240 20.315 ( 0.394 0.000 -29.612) 29.615 20.592 ( 1.613 0.000 -10.939) 11.057 21.433 ( -6.558 -0.000 60.712) 61.065 21.586 ( -2.569 -0.000 -3.710) 4.513 22.389 ( 5.014 0.000 1.917) 5.367 ======================= Grid point 11 (7/165) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 36.906 -6.814 10.049) 38.852 2.081 ( 46.671 -22.280 3.627) 51.843 3.007 ( 57.809 -23.744 0.577) 62.498 3.466 ( -15.596 2.308 -0.411) 15.772 3.547 ( 0.206 3.363 -2.948) 4.477 4.025 ( 0.137 -12.718 -4.771) 13.584 4.476 ( 1.489 7.215 6.792) 10.020 4.862 ( 2.200 17.905 10.736) 20.993 5.039 ( 13.304 0.185 -2.527) 13.543 5.359 ( 0.518 -7.544 5.259) 9.210 5.630 ( 2.505 4.215 -4.753) 6.829 6.039 ( -5.244 -6.537 10.364) 13.328 6.366 ( -4.710 -1.307 -4.359) 6.549 6.655 ( -12.295 -1.524 4.721) 13.259 6.869 ( -1.337 8.630 -11.831) 14.705 7.259 ( -17.664 -6.559 -7.689) 20.350 7.329 ( 3.896 3.244 -0.507) 5.095 7.464 ( -5.331 -0.097 3.145) 6.190 7.773 ( 4.429 3.533 1.152) 5.782 7.908 ( 4.023 -7.341 3.757) 9.176 8.222 ( 8.845 0.820 0.142) 8.884 8.527 ( 2.803 -8.130 2.833) 9.054 8.662 ( -3.086 11.967 -10.562) 16.257 8.890 ( 4.694 3.254 4.498) 7.270 9.381 ( -9.685 5.769 -4.060) 11.982 9.777 ( 3.808 2.005 1.466) 4.546 10.249 ( -3.202 -15.961 -3.397) 16.630 10.487 ( 1.451 -11.742 0.225) 11.833 11.011 ( -4.770 13.343 -8.351) 16.448 11.271 ( 4.376 9.581 -0.556) 10.548 11.392 ( -8.974 0.824 -5.361) 10.486 11.829 ( 7.227 -2.512 -7.795) 10.923 12.245 ( -1.218 2.796 10.105) 10.555 12.949 ( 2.943 14.553 -19.712) 24.678 13.156 ( 2.222 3.401 0.506) 4.094 13.474 ( 2.079 6.207 10.151) 12.078 14.094 ( 1.203 3.409 -1.061) 3.767 14.225 ( -3.520 -1.111 -5.500) 6.624 14.307 ( 0.066 -8.841 0.645) 8.865 14.710 ( -4.322 -13.503 0.926) 14.208 15.245 ( -3.901 -12.201 5.917) 14.110 15.441 ( -3.960 -17.226 2.368) 17.833 16.587 ( 0.010 2.278 -0.732) 2.392 16.968 ( 1.828 10.483 7.005) 12.740 17.162 ( -1.103 -1.598 3.656) 4.140 17.504 ( 6.073 9.457 -4.001) 11.930 18.248 ( -4.766 -9.290 -1.167) 10.506 18.644 ( 1.782 5.520 -3.073) 6.565 19.043 ( -0.132 -14.714 -1.717) 14.814 20.298 ( 1.055 1.644 -20.363) 20.456 20.557 ( 3.525 9.850 -11.740) 15.725 20.883 ( 9.918 26.980 32.280) 43.223 21.970 ( -17.534 -22.334 3.341) 28.591 22.528 ( 3.241 -9.352 3.875) 10.629 ======================= Grid point 12 (8/165) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 21.068 -17.715 0.855) 27.539 2.902 ( 42.692 -13.067 -7.682) 45.303 3.236 ( -8.487 4.679 1.949) 9.886 3.348 ( -1.033 3.362 -1.883) 3.990 3.875 ( 8.712 -12.652 5.357) 16.268 4.281 ( 2.019 12.123 9.829) 15.737 4.560 ( 14.737 -0.136 9.589) 17.582 4.696 ( 17.866 -15.622 7.605) 24.921 5.174 ( 6.406 1.498 0.674) 6.614 5.348 ( 0.065 0.393 -3.764) 3.785 5.578 ( -0.147 3.477 -4.205) 5.458 6.148 ( 0.184 -8.210 5.647) 9.966 6.293 ( -9.571 0.569 -4.008) 10.392 6.527 ( -6.179 4.117 2.718) 7.907 6.809 ( 0.926 -1.779 -10.138) 10.335 7.103 ( -13.811 0.159 -4.542) 14.539 7.311 ( -3.418 6.418 -1.109) 7.355 7.426 ( 5.046 1.299 -3.781) 6.438 7.766 ( 1.946 2.919 0.908) 3.624 7.863 ( -13.703 7.721 -4.216) 16.283 8.217 ( 3.317 7.293 -0.586) 8.033 8.499 ( -1.687 -11.289 -0.358) 11.420 8.722 ( 3.678 4.480 6.445) 8.668 8.978 ( 10.217 -6.747 4.589) 13.076 9.244 ( -3.915 0.833 -3.378) 5.238 9.822 ( 3.153 -2.401 -1.820) 4.362 10.438 ( -2.267 -11.072 -5.833) 12.719 10.629 ( -5.610 2.030 1.866) 6.251 10.709 ( -4.010 6.939 -6.467) 10.298 11.161 ( 1.902 6.177 1.488) 6.632 11.424 ( -4.155 -10.742 -0.197) 11.520 11.921 ( 6.343 1.985 -5.250) 8.470 12.208 ( -1.267 -1.041 8.982) 9.131 12.764 ( 4.182 12.978 -11.734) 17.989 13.092 ( 2.653 9.305 0.813) 9.710 13.377 ( 0.052 8.023 5.064) 9.487 14.088 ( 1.851 -0.368 -1.902) 2.680 14.195 ( -2.888 -0.484 -3.430) 4.510 14.476 ( 0.404 -11.029 0.486) 11.047 14.810 ( -7.483 -8.676 -1.047) 11.505 15.430 ( 1.012 -16.118 7.756) 17.916 15.638 ( -7.257 -15.973 1.486) 17.607 16.427 ( -5.286 12.537 -0.635) 13.621 16.876 ( 8.365 10.790 2.122) 13.817 17.193 ( -0.226 -1.874 3.402) 3.891 17.406 ( 4.188 8.824 -3.464) 10.363 18.328 ( -6.012 -8.775 -1.111) 10.694 18.641 ( 5.643 1.267 -1.570) 5.993 19.242 ( -3.947 -14.217 -1.091) 14.795 20.268 ( 5.222 7.271 -24.903) 26.463 20.396 ( 3.679 13.060 10.851) 17.374 20.770 ( 3.828 5.421 13.390) 14.945 22.016 ( -13.181 -10.907 0.320) 17.112 22.696 ( 2.529 -7.666 2.314) 8.397 ======================= Grid point 13 (9/165) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( -0.081 -12.224 -1.834) 12.361 3.089 ( -7.176 -1.381 2.680) 7.784 3.299 ( 0.592 2.436 3.049) 3.947 3.416 ( 31.519 6.225 -10.971) 33.949 3.922 ( 8.412 29.897 10.440) 32.766 4.186 ( 1.995 -11.920 1.102) 12.136 4.453 ( -2.976 3.756 9.948) 11.042 5.072 ( -4.783 -4.939 4.738) 8.350 5.240 ( 4.774 1.865 -5.458) 7.487 5.488 ( 6.004 -1.042 0.891) 6.158 5.804 ( 23.289 -13.347 0.667) 26.851 6.049 ( -11.974 9.284 -4.127) 15.704 6.246 ( 0.685 -3.919 0.709) 4.041 6.389 ( -6.036 5.402 1.087) 8.172 6.891 ( -7.317 -3.038 0.144) 7.924 6.906 ( -3.953 0.078 -6.442) 7.559 7.113 ( -11.081 -0.650 -7.612) 13.459 7.494 ( 9.761 7.126 2.288) 12.301 7.571 ( -1.890 3.853 -2.424) 4.929 7.861 ( 4.931 -4.868 0.049) 6.930 8.167 ( -6.027 -2.002 -4.798) 7.959 8.540 ( -1.988 2.789 6.848) 7.656 8.760 ( 8.433 -0.541 2.650) 8.856 9.202 ( -2.687 -0.811 -4.257) 5.099 9.238 ( 8.084 -5.963 2.830) 10.436 9.925 ( -0.629 -9.073 -1.950) 9.302 10.330 ( -6.965 9.026 4.164) 12.138 10.517 ( -0.738 12.557 -7.907) 14.858 10.663 ( -4.472 -9.975 -2.058) 11.123 11.153 ( 3.118 2.563 0.340) 4.050 11.559 ( -3.840 -11.278 8.135) 14.426 11.923 ( 2.685 3.392 -4.208) 6.036 12.268 ( -0.875 -8.174 3.508) 8.938 12.665 ( 4.910 6.960 -4.943) 9.848 12.927 ( 1.618 15.773 -0.110) 15.856 13.260 ( -0.909 5.453 1.450) 5.715 14.133 ( 1.169 -2.406 -1.446) 3.041 14.162 ( -2.695 0.430 -0.987) 2.902 14.615 ( -0.011 -6.199 -0.802) 6.250 14.848 ( -7.106 -9.231 0.256) 11.652 15.744 ( 1.298 -18.760 8.290) 20.551 15.775 ( -1.018 -12.467 -0.408) 12.515 16.151 ( -3.561 15.673 -2.853) 16.323 16.774 ( 6.293 14.810 0.004) 16.091 17.198 ( -3.038 -1.482 -0.884) 3.494 17.381 ( 6.281 2.801 1.312) 7.001 18.362 ( -6.692 -5.875 -1.001) 8.961 18.710 ( 8.280 1.462 -0.417) 8.419 19.372 ( -8.776 -12.674 0.366) 15.420 20.135 ( 8.332 18.538 -12.316) 23.765 20.326 ( -0.704 0.472 5.528) 5.593 20.746 ( 0.918 2.514 5.040) 5.706 22.035 ( -8.816 -9.267 0.521) 12.801 22.828 ( 4.722 -4.300 0.123) 6.388 ======================= Grid point 14 (10/165) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( -17.248 12.168 7.400) 22.367 3.106 ( -1.808 7.726 5.211) 9.493 3.251 ( -3.862 0.549 3.344) 5.138 3.354 ( 8.016 22.866 -0.468) 24.234 3.776 ( 22.979 5.523 -4.582) 24.073 4.336 ( -1.223 7.993 -0.105) 8.087 4.410 ( 1.660 -9.493 -2.309) 9.910 4.997 ( -16.297 9.481 -3.332) 19.146 5.138 ( -20.125 26.258 -4.002) 33.324 5.403 ( 12.880 8.321 -7.970) 17.282 5.620 ( 6.423 -3.238 5.322) 8.948 6.200 ( -7.849 3.719 5.932) 10.518 6.289 ( -0.963 -7.211 3.423) 8.040 6.407 ( 4.436 -9.650 -2.683) 10.955 6.813 ( -2.248 -3.302 1.135) 4.153 7.028 ( -0.750 -8.213 -0.718) 8.279 7.159 ( 5.007 -10.565 -5.304) 12.838 7.464 ( 4.006 2.385 4.516) 6.491 7.612 ( 2.016 -1.440 -0.120) 2.481 8.042 ( 10.096 -1.629 5.433) 11.580 8.143 ( -6.139 -10.148 -7.874) 14.237 8.533 ( 8.291 1.341 1.594) 8.548 8.833 ( 2.930 1.717 0.818) 3.493 9.043 ( -8.838 9.009 -6.477) 14.185 9.391 ( 7.899 0.163 -0.534) 7.918 9.958 ( -7.920 5.729 5.222) 11.082 10.240 ( 0.072 -0.836 -2.130) 2.289 10.333 ( -3.563 -2.455 2.580) 5.038 10.821 ( -3.791 -15.310 -2.807) 16.021 11.087 ( 3.880 11.112 0.464) 11.779 11.643 ( -4.405 -5.857 10.645) 12.924 11.869 ( 1.858 7.682 -7.147) 10.656 12.434 ( 1.316 -8.297 0.819) 8.441 12.621 ( 1.419 5.635 2.931) 6.508 12.692 ( -1.181 8.950 -3.461) 9.668 13.233 ( 0.629 -2.289 0.067) 2.375 14.091 ( -2.988 2.922 -0.652) 4.229 14.197 ( 0.752 -3.181 0.587) 3.321 14.659 ( -0.767 -0.148 -1.297) 1.514 14.928 ( -3.358 -8.808 1.472) 9.540 15.853 ( -1.122 17.362 -2.939) 17.645 15.908 ( 0.076 -10.738 0.099) 10.739 16.144 ( 6.420 -19.388 4.036) 20.818 16.598 ( 0.194 11.475 -1.136) 11.533 17.175 ( -3.306 -0.542 -1.695) 3.754 17.448 ( 9.042 0.814 2.857) 9.517 18.362 ( -5.713 -4.424 -0.519) 7.244 18.769 ( 9.443 5.231 -0.421) 10.803 19.411 ( -15.589 -11.067 2.425) 19.271 19.922 ( 5.203 19.372 -3.642) 20.386 20.327 ( -0.104 -0.764 -0.678) 1.027 20.712 ( -0.593 2.438 1.258) 2.807 22.095 ( -4.445 -8.786 1.022) 9.899 22.945 ( 7.251 -1.857 -1.525) 7.639 ======================= Grid point 15 (11/165) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( -16.925 28.680 7.616) 34.161 2.536 ( 1.485 49.963 11.849) 51.370 3.247 ( 0.951 4.016 6.266) 7.504 3.428 ( 0.615 -10.834 -11.877) 16.088 3.747 ( -18.235 37.774 -11.139) 43.399 4.059 ( 16.318 7.202 -2.170) 17.968 4.399 ( -4.982 10.714 0.885) 11.848 4.617 ( 0.308 -6.719 -4.919) 8.333 4.785 ( -14.947 2.413 3.674) 15.580 5.534 ( 9.964 3.151 -0.756) 10.477 5.666 ( 0.518 3.841 0.791) 3.956 6.027 ( -9.514 2.096 1.851) 9.916 6.446 ( -0.604 -3.007 5.902) 6.651 6.585 ( 8.678 -15.901 -7.564) 19.630 6.889 ( 0.129 -8.058 1.365) 8.174 7.077 ( -3.745 -2.598 0.301) 4.568 7.447 ( 10.319 -6.673 -2.722) 12.587 7.503 ( 2.572 -2.936 6.597) 7.665 7.637 ( 2.645 -1.941 2.211) 3.957 8.002 ( -16.276 -5.856 -2.531) 17.481 8.366 ( 15.880 4.950 2.498) 16.820 8.645 ( 1.940 10.528 -3.381) 11.227 8.746 ( 5.165 -8.401 -2.354) 10.139 8.923 ( -1.323 -2.505 -3.475) 4.484 9.449 ( 8.709 4.548 -3.829) 10.545 9.679 ( -7.873 13.132 7.664) 17.123 10.138 ( -13.201 2.985 1.420) 13.609 10.510 ( -1.151 -14.213 1.906) 14.386 10.952 ( 3.490 8.327 1.108) 9.096 11.007 ( -1.777 -9.271 -1.664) 9.585 11.658 ( -1.341 -0.416 7.776) 7.902 11.733 ( -0.459 9.904 -6.250) 11.720 12.290 ( 0.218 15.133 -1.945) 15.259 12.654 ( 1.455 -1.560 3.700) 4.271 12.781 ( -2.235 -17.985 -0.676) 18.136 13.311 ( 1.101 -5.165 -0.742) 5.333 14.018 ( -2.030 1.918 0.274) 2.806 14.247 ( 0.713 -2.157 0.896) 2.443 14.598 ( -0.664 6.810 -0.696) 6.877 15.030 ( 0.002 -7.267 1.756) 7.476 15.548 ( -1.021 20.538 -3.107) 20.797 16.106 ( 8.254 -5.978 -2.012) 10.388 16.329 ( -7.739 -3.094 3.898) 9.201 16.643 ( 6.141 -17.244 -1.453) 18.363 17.134 ( -2.629 1.038 -0.758) 2.926 17.578 ( 12.122 -1.503 2.907) 12.556 18.374 ( -3.486 -4.636 -0.144) 5.802 18.763 ( 9.798 10.831 -1.159) 14.651 19.328 ( -22.917 -7.649 3.694) 24.440 19.671 ( 2.518 19.086 -0.841) 19.270 20.341 ( 0.175 -1.024 -2.661) 2.857 20.662 ( -1.006 2.714 -0.274) 2.907 22.186 ( -1.214 -7.075 0.893) 7.234 23.059 ( 8.271 -0.928 -2.085) 8.580 ======================= Grid point 16 (12/165) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -0.000 38.453 -0.000) 38.453 1.749 ( -0.000 55.287 -0.000) 55.287 2.435 ( -0.000 74.264 -0.000) 74.264 3.511 ( 0.000 -8.237 0.000) 8.237 3.673 ( 0.000 -17.014 0.000) 17.014 4.165 ( -0.000 1.676 -0.000) 1.676 4.242 ( -0.000 2.407 -0.000) 2.407 4.689 ( 0.000 -1.839 0.000) 1.839 4.696 ( 0.000 -0.895 0.000) 0.895 5.511 ( -0.000 4.424 -0.000) 4.424 5.590 ( -0.000 5.981 -0.000) 5.981 5.960 ( 0.000 -0.528 0.000) 0.528 6.434 ( -0.000 2.233 -0.000) 2.233 6.919 ( 0.000 -14.280 0.000) 14.280 7.036 ( -0.000 1.707 -0.000) 1.707 7.054 ( 0.000 -9.879 0.000) 9.879 7.485 ( -0.000 0.253 -0.000) 0.253 7.576 ( 0.000 -4.283 0.000) 4.283 7.878 ( 0.000 -9.973 0.000) 9.973 7.893 ( 0.000 -3.054 0.000) 3.054 8.250 ( -0.000 13.622 -0.000) 13.622 8.523 ( -0.000 7.711 -0.000) 7.711 8.940 ( 0.000 -2.128 0.000) 2.128 9.098 ( 0.000 -15.294 0.000) 15.294 9.416 ( -0.000 4.869 -0.000) 4.869 9.478 ( -0.000 6.308 -0.000) 6.308 9.915 ( -0.000 6.411 -0.000) 6.411 10.606 ( -0.000 3.713 -0.000) 3.713 10.860 ( -0.000 5.846 -0.000) 5.846 11.091 ( 0.000 -4.467 0.000) 4.467 11.540 ( -0.000 12.096 -0.000) 12.096 11.690 ( 0.000 -2.028 0.000) 2.028 12.164 ( -0.000 0.673 -0.000) 0.673 12.750 ( 0.000 -9.812 0.000) 9.812 12.996 ( 0.000 -11.033 0.000) 11.033 13.385 ( 0.000 -3.393 0.000) 3.393 14.005 ( 0.000 -2.163 0.000) 2.163 14.282 ( 0.000 -1.929 0.000) 1.929 14.452 ( -0.000 10.963 -0.000) 10.963 15.149 ( 0.000 -6.951 0.000) 6.951 15.198 ( -0.000 23.459 -0.000) 23.459 16.109 ( -0.000 7.829 -0.000) 7.829 16.472 ( 0.000 -18.375 0.000) 18.375 16.987 ( 0.000 -18.910 0.000) 18.910 17.088 ( -0.000 2.468 -0.000) 2.468 17.758 ( 0.000 -7.495 0.000) 7.495 18.430 ( 0.000 -6.036 0.000) 6.036 18.648 ( -0.000 14.578 -0.000) 14.578 19.156 ( -0.000 4.645 -0.000) 4.645 19.423 ( -0.000 13.360 -0.000) 13.360 20.357 ( 0.000 -0.955 0.000) 0.955 20.615 ( -0.000 2.352 -0.000) 2.352 22.267 ( 0.000 -4.195 0.000) 4.195 23.146 ( 0.000 -1.649 0.000) 1.649 ======================= Grid point 19 (13/165) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 38.863 0.000 19.430) 43.450 2.282 ( 42.864 0.000 15.119) 45.452 3.261 ( -11.696 -0.000 -1.195) 11.757 3.502 ( 5.786 0.000 -7.198) 9.236 3.750 ( 56.776 0.000 -4.356) 56.943 3.915 ( 2.943 0.000 -5.722) 6.434 4.432 ( -9.653 -0.000 4.877) 10.815 5.135 ( 9.496 0.000 -1.518) 9.616 5.151 ( 1.713 0.000 0.842) 1.909 5.338 ( 5.991 0.000 7.277) 9.426 5.715 ( 2.378 0.000 -5.213) 5.730 5.905 ( -0.612 -0.000 15.996) 16.007 6.288 ( -6.120 -0.000 -3.884) 7.248 6.463 ( -15.277 -0.000 1.317) 15.334 6.931 ( -4.070 -0.000 -13.794) 14.382 7.001 ( -10.482 -0.000 0.564) 10.497 7.402 ( 0.575 0.000 1.264) 1.389 7.426 ( 2.504 0.000 5.074) 5.658 7.792 ( -4.999 -0.000 -3.856) 6.313 7.971 ( 10.057 0.000 5.842) 11.631 8.292 ( 3.560 0.000 -4.450) 5.698 8.607 ( 11.978 0.000 4.131) 12.670 8.657 ( -10.299 -0.000 -12.019) 15.828 9.012 ( 8.365 0.000 1.578) 8.512 9.277 ( -14.080 -0.000 -4.481) 14.776 9.812 ( 0.159 0.000 0.536) 0.559 10.061 ( -0.787 -0.000 -0.043) 0.788 10.405 ( 0.560 0.000 -2.055) 2.130 11.088 ( -0.289 -0.000 -8.194) 8.199 11.158 ( -23.429 -0.000 -4.262) 23.813 11.431 ( 5.219 0.000 -1.332) 5.387 11.884 ( 7.266 0.000 -7.322) 10.315 12.234 ( -4.433 -0.000 9.864) 10.815 13.108 ( 3.411 0.000 -22.077) 22.339 13.204 ( 2.266 0.000 -0.420) 2.305 13.577 ( 2.970 0.000 13.807) 14.122 14.122 ( 0.455 0.000 -1.351) 1.425 14.174 ( -2.509 -0.000 -2.241) 3.364 14.252 ( 0.056 0.000 -2.197) 2.198 14.549 ( -1.630 -0.000 5.947) 6.166 15.095 ( 1.290 0.000 2.671) 2.966 15.304 ( -5.201 -0.000 4.150) 6.654 16.636 ( 1.697 0.000 2.923) 3.380 17.055 ( -6.530 -0.000 1.139) 6.628 17.136 ( 6.817 0.000 7.535) 10.161 17.702 ( 9.631 0.000 -2.640) 9.986 18.114 ( -4.218 -0.000 -2.501) 4.904 18.648 ( -5.802 -0.000 -4.976) 7.644 18.980 ( 7.610 0.000 -1.708) 7.800 20.298 ( -0.581 -0.000 -6.134) 6.161 20.630 ( 2.232 0.000 -12.945) 13.136 21.279 ( -8.985 -0.000 26.498) 27.980 21.515 ( -2.771 -0.000 -4.339) 5.148 22.533 ( 6.261 0.000 1.837) 6.525 ======================= Grid point 20 (14/165) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 27.920 10.115 12.509) 32.223 3.096 ( 26.900 -13.484 0.805) 30.101 3.128 ( -0.670 -11.974 10.538) 15.965 3.437 ( -0.411 5.466 -3.267) 6.381 3.981 ( 12.847 1.093 -5.060) 13.851 4.233 ( -4.619 1.428 5.008) 6.961 4.702 ( 39.543 -17.758 -0.370) 43.349 4.999 ( 7.280 18.298 6.967) 20.889 5.261 ( -2.072 2.058 -3.921) 4.889 5.332 ( 4.022 -4.030 -2.861) 6.372 5.658 ( -0.083 5.886 -0.927) 5.959 6.032 ( 4.141 -5.075 10.876) 12.696 6.232 ( -2.095 0.286 -3.028) 3.693 6.378 ( -10.797 -9.442 2.213) 14.513 6.809 ( -3.377 3.987 -6.280) 8.169 6.935 ( -9.012 -1.465 -2.606) 9.495 7.377 ( -4.734 7.997 -0.519) 9.307 7.487 ( 9.203 -4.204 -0.765) 10.147 7.686 ( -12.093 -0.421 -4.479) 12.903 7.983 ( -0.203 12.636 1.815) 12.767 8.292 ( -7.373 -0.852 -3.905) 8.386 8.501 ( 10.815 6.964 -3.560) 13.346 8.769 ( 5.603 -3.365 0.887) 6.596 9.057 ( 4.574 1.482 3.259) 5.808 9.172 ( -5.398 -3.152 -2.630) 6.781 9.804 ( -2.118 -0.937 -2.427) 3.355 10.200 ( 0.443 -13.467 -3.515) 13.925 10.488 ( -1.480 -10.764 0.803) 10.895 10.739 ( -16.860 12.028 -2.687) 20.884 11.201 ( -3.208 -9.802 -4.392) 11.210 11.382 ( 4.436 12.661 0.216) 13.417 12.000 ( 6.890 -2.658 -6.340) 9.733 12.163 ( -6.081 0.458 9.973) 11.690 13.040 ( 5.642 12.742 -16.257) 21.413 13.211 ( 2.277 2.951 0.203) 3.732 13.529 ( 1.628 9.390 10.530) 14.202 14.121 ( -0.418 0.938 -2.933) 3.108 14.147 ( -1.141 0.920 -2.726) 3.095 14.311 ( 0.256 -9.613 0.675) 9.640 14.630 ( -2.752 -7.067 3.587) 8.389 15.179 ( -1.968 -11.390 3.822) 12.175 15.345 ( -5.378 -13.503 2.171) 14.696 16.561 ( -2.070 9.597 3.479) 10.416 17.007 ( -1.181 -1.684 0.758) 2.192 17.222 ( 7.495 2.101 4.969) 9.235 17.657 ( 5.314 15.010 -3.623) 16.330 18.151 ( -2.856 -7.834 -1.837) 8.538 18.628 ( -2.746 -5.608 -2.916) 6.891 19.103 ( 5.340 -3.925 -2.337) 7.028 20.291 ( -0.393 -0.275 -3.327) 3.361 20.613 ( 2.338 5.703 -12.280) 13.739 20.989 ( -1.131 16.214 16.763) 23.348 21.654 ( -9.436 -14.976 -0.197) 17.703 22.648 ( 5.239 -5.228 1.375) 7.527 ======================= Grid point 21 (15/165) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( 7.348 4.019 4.954) 9.731 3.048 ( 0.290 1.279 -0.580) 1.434 3.341 ( -1.330 4.985 2.180) 5.601 3.811 ( 22.968 -14.449 -2.550) 27.254 4.091 ( 13.495 7.601 -1.860) 15.599 4.224 ( -0.055 -7.974 8.790) 11.868 4.673 ( 3.226 23.582 10.159) 25.879 4.993 ( -3.637 6.037 3.384) 7.818 5.305 ( 1.805 -1.420 -10.348) 10.600 5.521 ( 4.043 -2.115 2.505) 5.205 5.824 ( 20.176 -19.289 1.625) 27.960 6.097 ( 3.815 4.378 -0.223) 5.811 6.228 ( 2.166 -0.128 -4.013) 4.562 6.360 ( -7.235 1.517 6.816) 10.055 6.770 ( -5.123 -2.648 1.175) 5.885 6.858 ( -2.356 -2.377 -6.947) 7.711 7.027 ( -15.886 15.609 -10.139) 24.470 7.534 ( -11.320 -1.568 -3.702) 12.013 7.703 ( 10.900 -0.580 0.223) 10.918 7.787 ( 1.086 2.827 2.099) 3.685 8.161 ( -7.820 4.877 -1.197) 9.293 8.601 ( 10.536 0.490 0.937) 10.589 8.870 ( 4.937 0.972 1.900) 5.379 9.125 ( 1.527 -4.457 1.897) 5.079 9.237 ( 4.330 -6.662 -1.523) 8.090 9.778 ( -7.684 -3.489 -4.177) 9.416 10.357 ( -11.568 9.480 1.908) 15.078 10.380 ( -0.889 -10.993 -5.365) 12.265 10.709 ( 1.000 -6.793 0.418) 6.879 11.192 ( 0.601 7.535 0.832) 7.605 11.351 ( -1.668 -9.618 0.384) 9.769 12.005 ( -0.241 5.912 1.073) 6.013 12.180 ( 0.213 -5.662 1.862) 5.964 12.902 ( 7.065 13.368 -8.892) 17.541 13.146 ( 1.896 9.585 0.810) 9.804 13.375 ( -0.845 10.787 4.848) 11.857 14.111 ( -0.358 -1.006 -0.366) 1.129 14.128 ( -1.606 -0.503 -3.361) 3.758 14.489 ( 0.648 -11.117 0.367) 11.142 14.641 ( -6.374 -4.427 1.056) 7.832 15.438 ( 0.030 -20.833 5.279) 21.492 15.526 ( -2.946 -16.793 -0.323) 17.053 16.351 ( -1.757 13.911 1.240) 14.076 17.037 ( 2.597 1.027 0.529) 2.843 17.197 ( 2.797 11.132 2.145) 11.677 17.509 ( 3.193 6.546 -2.255) 7.624 18.218 ( -2.935 -5.243 -1.188) 6.125 18.735 ( 1.724 -8.095 -0.464) 8.290 19.190 ( 0.146 -2.655 -2.072) 3.371 20.294 ( 0.089 -0.495 -3.267) 3.306 20.486 ( 2.811 14.249 -5.685) 15.597 20.824 ( 0.070 6.521 9.247) 11.315 21.748 ( -8.228 -12.725 -0.023) 15.154 22.798 ( 4.246 -6.608 0.381) 7.863 ======================= Grid point 22 (16/165) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( -4.214 8.939 2.841) 10.282 3.081 ( 4.940 -0.648 -3.202) 5.923 3.226 ( -5.801 3.721 3.442) 7.704 3.955 ( 5.037 26.369 6.394) 27.597 4.155 ( 9.674 -5.507 -7.579) 13.467 4.289 ( 13.728 6.777 -1.240) 15.360 4.491 ( 4.763 10.118 7.856) 13.667 4.839 ( -15.647 0.366 3.847) 16.118 5.313 ( -2.606 7.023 -7.406) 10.534 5.612 ( 2.481 -3.484 4.366) 6.112 5.808 ( 7.922 25.288 -8.079) 27.704 6.133 ( -10.891 0.905 3.925) 11.612 6.236 ( -0.431 -3.030 1.510) 3.413 6.269 ( -0.006 -2.254 0.272) 2.270 6.721 ( -4.267 -0.530 0.312) 4.311 6.949 ( -1.873 -13.219 -5.838) 14.572 6.983 ( 9.496 -11.930 -0.228) 15.250 7.485 ( -3.863 -3.606 0.701) 5.331 7.658 ( 1.597 5.671 -0.096) 5.892 7.919 ( -4.800 -2.598 -2.952) 6.205 8.105 ( 6.125 -9.341 1.200) 11.234 8.693 ( 9.991 4.101 3.212) 11.268 8.875 ( 2.560 2.402 1.223) 3.717 9.073 ( -8.724 7.632 -3.851) 12.214 9.460 ( 11.496 -7.117 -0.143) 13.522 9.765 ( -11.916 -10.036 -1.667) 15.668 10.165 ( -4.339 1.736 2.894) 5.497 10.537 ( 1.886 -2.992 -5.765) 6.764 10.599 ( -1.513 9.709 2.738) 10.200 11.210 ( 1.508 -1.465 -0.815) 2.255 11.480 ( -2.581 -9.295 5.114) 10.919 11.938 ( -0.449 0.811 -1.091) 1.432 12.262 ( 0.111 -6.163 0.560) 6.190 12.795 ( 4.192 10.297 -2.003) 11.296 12.951 ( 0.676 18.228 -0.487) 18.247 13.238 ( -0.852 3.804 1.198) 4.078 14.097 ( -1.876 1.418 -0.906) 2.520 14.150 ( 0.260 -3.262 -0.227) 3.280 14.601 ( -1.078 -4.585 -0.842) 4.785 14.721 ( -2.567 -12.358 1.028) 12.664 15.677 ( -1.847 -14.583 1.182) 14.747 15.864 ( 2.622 -24.228 1.398) 24.409 16.110 ( -0.518 15.957 -0.473) 15.972 16.889 ( 2.907 21.592 -0.285) 21.789 17.119 ( -2.579 -2.295 0.212) 3.459 17.526 ( 4.182 -0.860 0.253) 4.277 18.250 ( -2.376 -3.738 -0.539) 4.462 18.888 ( 5.970 -5.607 0.397) 8.200 19.172 ( -6.879 -0.029 -0.903) 6.938 20.256 ( 2.891 17.162 -7.001) 18.759 20.313 ( -0.677 0.114 4.036) 4.094 20.756 ( -0.117 3.556 2.526) 4.364 21.869 ( -3.969 -12.831 0.312) 13.435 22.941 ( 3.181 -6.164 -0.324) 6.944 ======================= Grid point 23 (17/165) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( -0.000 21.253 -0.000) 21.253 3.073 ( -0.000 11.464 -0.000) 11.464 3.199 ( 0.000 -5.490 0.000) 5.490 3.492 ( -0.000 27.882 -0.000) 27.882 4.230 ( -0.000 21.794 -0.000) 21.794 4.300 ( -0.000 6.934 -0.000) 6.934 4.428 ( 0.000 -9.807 0.000) 9.807 4.692 ( -0.000 1.331 -0.000) 1.331 4.767 ( -0.000 40.448 -0.000) 40.448 5.661 ( 0.000 -0.960 0.000) 0.960 5.743 ( -0.000 7.123 -0.000) 7.123 5.994 ( -0.000 3.067 -0.000) 3.067 6.356 ( 0.000 -9.591 0.000) 9.591 6.377 ( 0.000 -14.075 0.000) 14.075 6.739 ( 0.000 -5.906 0.000) 5.906 7.035 ( 0.000 -2.888 0.000) 2.888 7.351 ( 0.000 -18.905 0.000) 18.905 7.506 ( 0.000 -0.629 0.000) 0.629 7.612 ( -0.000 0.247 -0.000) 0.247 7.857 ( -0.000 1.205 -0.000) 1.205 8.441 ( 0.000 -21.252 0.000) 21.252 8.695 ( -0.000 6.727 -0.000) 6.727 8.785 ( -0.000 14.587 -0.000) 14.587 8.876 ( 0.000 -0.644 0.000) 0.644 9.635 ( -0.000 1.172 -0.000) 1.172 9.698 ( -0.000 3.262 -0.000) 3.262 10.258 ( 0.000 -15.161 0.000) 15.161 10.270 ( -0.000 19.011 -0.000) 19.011 10.773 ( 0.000 -15.741 0.000) 15.741 11.139 ( -0.000 10.490 -0.000) 10.490 11.580 ( 0.000 -6.269 0.000) 6.269 11.892 ( -0.000 7.505 -0.000) 7.505 12.460 ( 0.000 -19.495 0.000) 19.495 12.602 ( -0.000 21.635 -0.000) 21.635 12.711 ( -0.000 7.623 -0.000) 7.623 13.245 ( 0.000 -3.758 0.000) 3.758 14.046 ( -0.000 3.088 -0.000) 3.088 14.207 ( 0.000 -3.573 0.000) 3.573 14.641 ( 0.000 -0.617 0.000) 0.617 14.884 ( 0.000 -10.566 0.000) 10.566 15.839 ( -0.000 15.480 -0.000) 15.480 15.909 ( 0.000 -13.773 0.000) 13.773 16.235 ( 0.000 -19.013 0.000) 19.013 16.602 ( -0.000 14.296 -0.000) 14.296 17.125 ( 0.000 -0.330 0.000) 0.330 17.595 ( 0.000 -3.673 0.000) 3.673 18.290 ( 0.000 -3.736 0.000) 3.736 19.008 ( -0.000 8.862 -0.000) 8.862 19.069 ( 0.000 -7.366 0.000) 7.366 19.984 ( -0.000 19.534 -0.000) 19.534 20.325 ( 0.000 -1.084 0.000) 1.084 20.704 ( -0.000 3.267 -0.000) 3.267 22.034 ( 0.000 -11.174 0.000) 11.174 23.050 ( 0.000 -4.941 0.000) 4.941 ======================= Grid point 28 (18/165) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.891 ( -6.321 -0.000 8.894) 10.912 3.014 ( 26.239 0.000 11.905) 28.814 3.249 ( 23.016 0.000 -2.342) 23.135 3.499 ( 4.876 0.000 5.695) 7.497 3.915 ( -10.005 -0.000 -1.313) 10.091 4.336 ( 7.553 0.000 3.299) 8.242 5.081 ( 3.417 0.000 -7.415) 8.165 5.193 ( 2.964 0.000 -1.608) 3.372 5.225 ( 32.086 0.000 -7.076) 32.857 5.362 ( 7.349 0.000 0.024) 7.349 5.660 ( -6.009 -0.000 -2.367) 6.459 6.040 ( -19.370 -0.000 -0.717) 19.383 6.245 ( 21.456 0.000 24.730) 32.740 6.247 ( 3.201 0.000 -4.969) 5.911 6.828 ( -4.759 -0.000 3.648) 5.996 6.835 ( -2.345 -0.000 -5.672) 6.137 7.391 ( -6.744 -0.000 -3.665) 7.676 7.486 ( -19.633 -0.000 -5.872) 20.492 7.545 ( 8.870 0.000 0.933) 8.919 8.143 ( 3.251 0.000 2.692) 4.221 8.203 ( -5.475 -0.000 -5.590) 7.825 8.610 ( -0.437 -0.000 -6.120) 6.136 8.813 ( 4.613 0.000 1.295) 4.791 9.062 ( -0.114 -0.000 -4.157) 4.158 9.115 ( 1.846 0.000 2.419) 3.043 9.754 ( -5.164 -0.000 -2.813) 5.880 10.121 ( 5.263 0.000 0.026) 5.263 10.378 ( -2.634 -0.000 -1.692) 3.131 10.606 ( -19.537 -0.000 3.391) 19.829 11.114 ( 2.714 0.000 -7.353) 7.838 11.564 ( 4.826 0.000 -0.211) 4.830 11.989 ( -1.411 -0.000 2.164) 2.584 12.124 ( -1.466 -0.000 1.953) 2.442 13.185 ( 3.224 0.000 -10.646) 11.123 13.264 ( 2.884 0.000 -4.119) 5.028 13.647 ( 2.058 0.000 9.850) 10.063 14.086 ( -1.961 -0.000 -5.091) 5.456 14.184 ( 1.781 0.000 3.254) 3.710 14.255 ( 0.254 0.000 -1.990) 2.006 14.551 ( 1.422 0.000 6.860) 7.006 15.097 ( -10.820 -0.000 0.377) 10.827 15.125 ( 0.973 0.000 1.693) 1.953 16.627 ( -1.858 -0.000 4.796) 5.143 16.932 ( -3.545 -0.000 0.277) 3.556 17.361 ( 10.733 0.000 2.528) 11.027 17.910 ( 6.946 0.000 -1.197) 7.049 17.996 ( -5.987 -0.000 -2.990) 6.692 18.510 ( -4.583 -0.000 -2.531) 5.236 19.172 ( 7.660 0.000 -2.393) 8.025 20.282 ( -0.428 -0.000 -0.754) 0.866 20.668 ( 1.561 0.000 -7.968) 8.120 21.078 ( -8.251 -0.000 12.177) 14.709 21.459 ( -1.619 -0.000 -2.689) 3.139 22.663 ( 4.115 0.000 0.947) 4.223 ======================= Grid point 29 (19/165) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( -1.191 9.211 4.354) 10.257 3.176 ( 12.403 7.088 -0.353) 14.290 3.417 ( -1.241 6.247 2.941) 7.015 3.700 ( 5.952 -13.705 -1.537) 15.020 3.991 ( 1.645 -18.896 9.278) 21.115 4.424 ( 12.647 2.317 0.894) 12.889 4.906 ( -5.255 6.432 -3.668) 9.079 5.134 ( 1.091 10.638 -2.211) 10.920 5.351 ( -0.538 12.799 -4.301) 13.513 5.515 ( -0.085 -2.223 2.578) 3.405 5.769 ( 6.071 -7.392 0.469) 9.577 6.036 ( 7.291 -20.065 -5.339) 22.007 6.282 ( 3.306 1.037 -2.501) 4.273 6.485 ( 15.362 7.127 18.630) 25.177 6.713 ( -2.488 3.713 2.631) 5.187 6.835 ( -0.096 0.703 -4.631) 4.685 7.139 ( -11.369 16.261 -8.490) 21.581 7.280 ( -18.431 -5.200 -3.431) 19.455 7.712 ( 7.014 -7.322 0.412) 10.147 7.992 ( 1.392 14.595 1.168) 14.708 8.137 ( -5.318 3.478 -2.092) 6.690 8.670 ( 2.469 -6.103 -1.639) 6.784 8.872 ( 1.992 -3.503 0.632) 4.079 9.128 ( 1.345 0.095 1.386) 1.934 9.169 ( 5.482 -7.198 -2.287) 9.333 9.660 ( -8.403 1.939 -2.401) 8.952 10.255 ( 2.861 -6.604 -1.924) 7.450 10.363 ( -7.576 5.763 2.984) 9.976 10.467 ( -2.980 -15.273 0.216) 15.563 11.200 ( 1.635 -6.566 -3.831) 7.775 11.448 ( 0.751 16.656 1.219) 16.717 12.027 ( -3.921 -4.611 4.423) 7.496 12.119 ( 2.740 -0.393 -2.213) 3.544 13.147 ( 2.914 8.796 -6.428) 11.278 13.263 ( 1.879 3.437 -1.390) 4.156 13.563 ( 0.567 12.297 5.654) 13.547 14.075 ( -1.242 -1.096 -2.165) 2.726 14.162 ( 0.623 5.081 -0.163) 5.121 14.318 ( 0.211 -10.011 0.491) 10.025 14.578 ( -1.628 0.998 2.409) 3.074 15.131 ( -2.073 -18.521 1.496) 18.697 15.247 ( -1.827 -12.829 0.056) 12.959 16.519 ( -1.210 10.010 2.034) 10.286 16.958 ( -1.613 -5.877 0.610) 6.125 17.457 ( 9.958 4.722 2.230) 11.244 17.676 ( -3.877 17.508 -2.905) 18.166 18.115 ( -0.283 -6.917 -0.787) 6.968 18.561 ( -1.786 -10.829 -0.748) 11.000 19.233 ( 3.974 1.736 -1.559) 4.608 20.282 ( -0.179 -0.542 -0.271) 0.632 20.647 ( 0.930 4.929 -4.748) 6.906 20.931 ( -2.714 7.569 6.284) 10.204 21.512 ( -2.711 -8.320 -0.846) 8.791 22.743 ( 2.218 -5.073 0.375) 5.549 ======================= Grid point 30 (20/165) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( -0.000 8.857 -0.000) 8.857 3.166 ( -0.000 4.114 -0.000) 4.114 3.266 ( -0.000 8.005 -0.000) 8.005 3.948 ( 0.000 -16.273 0.000) 16.273 4.175 ( -0.000 1.185 -0.000) 1.185 4.598 ( 0.000 -8.928 0.000) 8.928 4.761 ( -0.000 13.996 -0.000) 13.996 4.809 ( -0.000 25.956 -0.000) 25.956 5.267 ( 0.000 -5.182 0.000) 5.182 5.571 ( 0.000 -3.821 0.000) 3.821 5.897 ( 0.000 -10.189 0.000) 10.189 6.254 ( -0.000 6.031 -0.000) 6.031 6.333 ( -0.000 14.530 -0.000) 14.530 6.378 ( -0.000 9.670 -0.000) 9.670 6.652 ( 0.000 -6.470 0.000) 6.470 6.710 ( -0.000 1.910 -0.000) 1.910 6.992 ( -0.000 0.004 -0.000) 0.004 7.291 ( 0.000 -12.829 0.000) 12.829 7.804 ( -0.000 11.295 -0.000) 11.295 7.859 ( 0.000 -5.234 0.000) 5.234 8.054 ( -0.000 0.942 -0.000) 0.942 8.761 ( 0.000 -2.168 0.000) 2.168 8.943 ( 0.000 -1.896 0.000) 1.896 9.103 ( -0.000 4.543 -0.000) 4.543 9.396 ( 0.000 -14.930 0.000) 14.930 9.548 ( -0.000 0.593 -0.000) 0.593 10.214 ( -0.000 6.999 -0.000) 6.999 10.379 ( 0.000 -9.139 0.000) 9.139 10.722 ( 0.000 -10.131 0.000) 10.131 11.201 ( -0.000 9.902 -0.000) 9.902 11.330 ( 0.000 -8.765 0.000) 8.765 11.979 ( -0.000 5.056 -0.000) 5.056 12.199 ( 0.000 -4.910 0.000) 4.910 13.000 ( -0.000 12.147 -0.000) 12.147 13.180 ( -0.000 10.162 -0.000) 10.162 13.355 ( -0.000 12.548 -0.000) 12.548 14.086 ( 0.000 -1.118 0.000) 1.118 14.122 ( -0.000 0.054 -0.000) 0.054 14.506 ( 0.000 -13.357 0.000) 13.357 14.548 ( 0.000 -0.734 0.000) 0.734 15.444 ( 0.000 -14.572 0.000) 14.572 15.489 ( 0.000 -25.828 0.000) 25.828 16.331 ( -0.000 13.491 -0.000) 13.491 17.038 ( 0.000 -5.379 0.000) 5.379 17.273 ( -0.000 24.333 -0.000) 24.333 17.538 ( 0.000 -0.204 0.000) 0.204 18.184 ( 0.000 -3.594 0.000) 3.594 18.745 ( 0.000 -13.176 0.000) 13.176 19.206 ( -0.000 4.419 -0.000) 4.419 20.293 ( 0.000 -0.941 0.000) 0.941 20.516 ( -0.000 13.072 -0.000) 13.072 20.820 ( -0.000 5.256 -0.000) 5.256 21.648 ( 0.000 -12.108 0.000) 12.108 22.854 ( 0.000 -7.156 0.000) 7.156 ======================= Grid point 38 (21/165) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( 0.000 0.000 -0.000) 0.000 3.392 ( 0.000 0.000 0.000) 0.000 3.533 ( -0.000 -0.000 -0.000) 0.000 3.552 ( 0.000 0.000 0.000) 0.000 3.802 ( 0.000 0.000 0.000) 0.000 4.496 ( 0.000 0.000 -0.000) 0.000 4.845 ( 0.000 0.000 -0.000) 0.000 5.342 ( -0.000 -0.000 -0.000) 0.000 5.453 ( 0.000 0.000 -0.000) 0.000 5.503 ( 0.000 0.000 -0.000) 0.000 5.724 ( 0.000 0.000 0.000) 0.000 5.881 ( 0.000 0.000 0.000) 0.000 6.311 ( 0.000 0.000 -0.000) 0.000 6.712 ( -0.000 -0.000 -0.000) 0.000 6.769 ( -0.000 -0.000 0.000) 0.000 6.855 ( 0.000 0.000 0.000) 0.000 7.024 ( 0.000 0.000 0.000) 0.000 7.212 ( 0.000 0.000 0.000) 0.000 7.688 ( 0.000 0.000 0.000) 0.000 8.131 ( 0.000 0.000 0.000) 0.000 8.157 ( 0.000 0.000 -0.000) 0.000 8.570 ( 0.000 0.000 -0.000) 0.000 8.857 ( 0.000 0.000 0.000) 0.000 9.142 ( 0.000 0.000 0.000) 0.000 9.146 ( -0.000 -0.000 0.000) 0.000 9.632 ( 0.000 0.000 0.000) 0.000 10.239 ( -0.000 -0.000 -0.000) 0.000 10.300 ( 0.000 0.000 0.000) 0.000 10.364 ( 0.000 0.000 0.000) 0.000 11.159 ( 0.000 0.000 -0.000) 0.000 11.626 ( 0.000 0.000 -0.000) 0.000 11.915 ( 0.000 0.000 0.000) 0.000 12.144 ( 0.000 0.000 0.000) 0.000 13.219 ( 0.000 0.000 -0.000) 0.000 13.307 ( 0.000 0.000 -0.000) 0.000 13.679 ( 0.000 0.000 0.000) 0.000 14.059 ( 0.000 0.000 0.000) 0.000 14.210 ( 0.000 0.000 0.000) 0.000 14.258 ( 0.000 0.000 -0.000) 0.000 14.596 ( 0.000 0.000 -0.000) 0.000 14.922 ( 0.000 0.000 0.000) 0.000 15.139 ( 0.000 0.000 -0.000) 0.000 16.600 ( 0.000 0.000 0.000) 0.000 16.890 ( 0.000 0.000 0.000) 0.000 17.543 ( 0.000 0.000 -0.000) 0.000 17.876 ( 0.000 0.000 0.000) 0.000 17.996 ( 0.000 0.000 -0.000) 0.000 18.454 ( 0.000 0.000 0.000) 0.000 19.276 ( 0.000 0.000 0.000) 0.000 20.277 ( 0.000 0.000 0.000) 0.000 20.685 ( 0.000 0.000 -0.000) 0.000 20.970 ( 0.000 0.000 0.000) 0.000 21.438 ( 0.000 0.000 0.000) 0.000 22.715 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 67 (22/165) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -24.176 -0.000 48.399) 54.101 1.071 ( 18.027 0.000 51.641) 54.697 1.496 ( 10.703 0.000 69.663) 70.481 3.616 ( -4.280 -0.000 -3.566) 5.571 4.152 ( -11.445 -0.000 -3.718) 12.034 4.277 ( 10.180 0.000 1.288) 10.261 4.411 ( -1.013 -0.000 -1.976) 2.221 4.669 ( -15.225 -0.000 2.537) 15.435 5.254 ( 16.926 0.000 1.312) 16.977 5.320 ( 9.692 0.000 -7.248) 12.102 5.460 ( -10.844 -0.000 1.383) 10.932 6.172 ( 19.493 0.000 -5.163) 20.165 6.384 ( -3.834 -0.000 0.417) 3.857 6.947 ( 2.746 0.000 -2.082) 3.446 7.192 ( -6.523 -0.000 5.289) 8.398 7.402 ( -5.954 -0.000 -7.472) 9.554 7.621 ( 6.263 0.000 2.061) 6.594 7.720 ( -1.855 -0.000 -2.017) 2.740 7.988 ( 4.535 0.000 -4.001) 6.047 8.049 ( 8.005 0.000 5.319) 9.611 8.070 ( -0.210 -0.000 -1.698) 1.711 8.262 ( -3.946 -0.000 -2.103) 4.472 8.795 ( 60.965 0.000 7.951) 61.481 9.241 ( -34.378 -0.000 -5.296) 34.784 9.414 ( 3.160 0.000 -1.907) 3.691 9.494 ( -36.515 -0.000 -5.112) 36.871 10.057 ( -27.804 -0.000 13.895) 31.083 10.132 ( -1.136 -0.000 -9.490) 9.558 10.389 ( -0.152 -0.000 9.911) 9.912 11.025 ( -3.143 -0.000 -10.831) 11.278 11.260 ( -0.733 -0.000 1.139) 1.354 11.781 ( -5.764 -0.000 9.981) 11.526 12.416 ( 4.406 0.000 13.003) 13.729 13.025 ( -9.673 -0.000 -14.318) 17.279 13.152 ( -6.350 -0.000 -3.915) 7.460 13.737 ( 1.236 0.000 14.162) 14.216 13.934 ( 1.334 0.000 -17.228) 17.279 14.149 ( -1.883 -0.000 -12.610) 12.749 14.286 ( -2.238 -0.000 3.190) 3.897 15.136 ( 1.609 0.000 7.043) 7.224 15.259 ( 6.736 0.000 -0.360) 6.746 16.007 ( -42.340 -0.000 5.089) 42.645 16.494 ( -0.868 -0.000 0.385) 0.950 16.802 ( 25.857 0.000 -11.536) 28.314 17.129 ( 7.690 0.000 11.276) 13.649 17.424 ( 8.265 0.000 7.633) 11.251 17.960 ( 12.642 0.000 -4.797) 13.521 18.268 ( -0.664 -0.000 0.238) 0.705 18.737 ( -4.250 -0.000 -5.590) 7.023 18.763 ( 0.320 0.000 -2.274) 2.296 20.638 ( -2.379 -0.000 5.754) 6.226 21.615 ( -3.525 -0.000 -0.942) 3.648 22.345 ( 1.864 0.000 2.187) 2.873 23.051 ( 20.999 0.000 -1.473) 21.051 ======================= Grid point 68 (23/165) ======================= q-point: ( 0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 9.896 -24.581 28.529) 38.936 1.288 ( 25.950 -4.914 39.240) 47.300 2.465 ( 36.975 -54.344 51.785) 83.679 3.503 ( -3.855 6.649 -4.623) 8.969 4.011 ( -14.796 0.978 3.420) 15.217 4.183 ( -14.785 1.339 8.850) 17.283 4.391 ( 9.861 2.993 2.509) 10.606 4.679 ( 10.275 -1.288 -0.959) 10.400 5.074 ( 2.137 19.108 12.544) 22.958 5.410 ( 4.774 0.341 -6.674) 8.213 5.503 ( -2.556 -7.474 -0.828) 7.942 6.222 ( 9.619 11.852 0.206) 15.266 6.340 ( -3.706 0.441 -2.831) 4.684 6.923 ( -6.924 1.016 -1.062) 7.079 7.065 ( -13.117 -0.439 7.380) 15.057 7.196 ( -0.536 10.684 -5.849) 12.192 7.502 ( 3.792 11.482 3.934) 12.716 7.678 ( -6.658 5.031 0.706) 8.375 7.782 ( -11.754 9.580 1.419) 15.230 8.087 ( 7.117 1.406 0.194) 7.257 8.159 ( 3.808 -4.147 4.828) 7.417 8.321 ( 5.843 -9.323 -4.016) 11.713 8.686 ( -28.762 -19.052 13.604) 37.086 9.054 ( -12.793 -3.866 -6.870) 15.027 9.417 ( 0.779 3.244 -2.550) 4.199 9.737 ( 11.334 15.800 1.074) 19.474 9.982 ( 22.001 0.003 -4.045) 22.370 10.488 ( 6.883 -18.745 -14.199) 24.502 10.542 ( 3.435 -13.172 0.016) 13.613 11.069 ( -1.860 -11.212 -13.608) 17.730 11.217 ( 0.805 4.344 2.270) 4.967 11.764 ( -3.602 -3.857 7.289) 8.999 12.431 ( 4.667 5.079 12.870) 14.601 12.775 ( -11.986 9.960 -9.839) 18.430 13.096 ( 0.973 3.193 -1.415) 3.626 13.589 ( 3.949 12.291 7.191) 14.778 14.014 ( 1.227 0.764 -6.375) 6.537 14.144 ( -3.027 -2.849 -10.490) 11.284 14.269 ( -1.370 -4.252 -1.914) 4.860 14.947 ( -4.077 3.815 8.204) 9.923 15.395 ( 7.494 -4.166 9.716) 12.958 15.803 ( -20.563 -20.765 3.064) 29.384 16.557 ( -4.905 0.957 -4.433) 6.680 17.094 ( 1.986 -5.638 -11.311) 12.793 17.213 ( -5.014 7.308 8.995) 12.628 17.369 ( -5.774 -4.052 -1.740) 7.266 18.337 ( -1.712 -10.995 -2.151) 11.333 18.534 ( -0.489 9.046 -5.178) 10.435 18.638 ( 53.382 -7.660 -29.830) 61.628 19.017 ( 1.611 -19.538 -7.129) 20.860 20.616 ( -2.704 -0.587 5.345) 6.019 21.377 ( -0.470 20.213 16.118) 25.856 22.326 ( 0.774 4.445 3.246) 5.558 23.010 ( -17.437 -2.754 2.228) 17.793 ======================= Grid point 69 (24/165) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 26.804 -24.626 6.119) 36.910 1.818 ( 20.595 -22.950 17.831) 35.620 3.340 ( 1.798 2.989 7.698) 8.452 3.598 ( 4.874 -18.299 14.277) 23.716 3.939 ( -1.251 -17.080 17.470) 24.464 4.203 ( 13.637 -18.173 12.052) 25.719 4.385 ( 4.203 9.166 6.899) 12.218 4.829 ( 3.974 10.819 7.226) 13.604 4.896 ( 12.304 -1.434 1.991) 12.546 5.407 ( -0.683 2.674 -5.915) 6.527 5.568 ( -3.988 -4.114 -0.258) 5.736 6.169 ( 2.252 4.070 3.075) 5.576 6.284 ( -0.335 2.422 -9.603) 9.910 6.769 ( -10.658 4.495 2.325) 11.799 6.903 ( -10.283 4.449 5.220) 12.360 7.116 ( 2.984 3.782 -10.351) 11.417 7.328 ( -12.484 4.874 -3.940) 13.969 7.447 ( 0.833 7.850 2.729) 8.353 7.705 ( 2.475 2.357 2.042) 3.981 8.128 ( -4.653 3.774 -1.243) 6.119 8.231 ( 0.392 -1.169 4.224) 4.400 8.527 ( 1.273 -9.426 3.108) 10.006 8.751 ( -2.324 -16.201 1.888) 16.476 9.006 ( -5.782 -2.810 6.262) 8.974 9.345 ( -7.516 0.602 -1.255) 7.644 9.622 ( 8.969 7.062 -2.005) 11.590 10.230 ( 12.809 -3.851 -5.992) 14.656 10.609 ( -1.561 5.817 -6.839) 9.113 10.693 ( -1.413 -6.779 -3.794) 7.896 11.117 ( 1.184 5.145 -2.194) 5.718 11.349 ( 1.508 -17.875 -4.545) 18.506 11.800 ( -0.387 -3.672 4.677) 5.959 12.413 ( 3.797 3.710 11.067) 12.274 12.537 ( -4.362 6.293 -8.527) 11.461 13.030 ( 1.694 8.449 -0.074) 8.618 13.454 ( 0.732 10.068 2.005) 10.292 13.989 ( 2.422 1.438 -2.639) 3.860 14.137 ( -2.239 -1.329 -8.646) 9.029 14.409 ( 0.595 -11.287 -5.000) 12.360 14.898 ( -3.839 -1.118 -3.343) 5.212 15.590 ( 4.554 -11.028 14.775) 18.991 15.898 ( -9.753 -12.661 0.340) 15.985 16.416 ( 0.352 13.046 -8.724) 15.698 16.896 ( -6.504 16.601 3.738) 18.217 17.170 ( -2.316 -5.477 -4.166) 7.260 17.407 ( 0.865 -1.358 8.630) 8.778 18.445 ( -0.622 0.030 -3.686) 3.738 18.463 ( -2.957 -7.239 -3.765) 8.679 19.136 ( 19.615 -5.985 -23.259) 31.009 19.343 ( 9.135 -12.257 -12.009) 19.440 20.591 ( -2.825 -0.209 7.136) 7.678 21.126 ( 1.668 14.126 22.946) 26.997 22.257 ( -1.483 3.344 2.812) 4.614 22.886 ( -13.917 -5.204 -0.400) 14.863 ======================= Grid point 70 (25/165) ======================= q-point: ( 0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 11.338 -24.842 -4.022) 27.601 2.446 ( 27.294 -17.952 6.307) 33.272 3.358 ( 4.242 -1.744 8.783) 9.909 3.588 ( -13.229 -4.445 11.794) 18.272 3.913 ( 0.602 14.681 2.206) 14.858 4.266 ( 0.015 5.742 6.227) 8.470 4.611 ( -0.582 13.939 3.453) 14.372 5.123 ( 9.982 -13.519 7.332) 18.335 5.183 ( 15.042 -11.836 5.730) 19.980 5.391 ( 12.581 -19.121 14.282) 26.979 5.507 ( -7.610 -0.719 2.264) 7.972 6.112 ( -2.101 3.590 -6.555) 7.763 6.295 ( 5.311 1.053 -4.542) 7.067 6.567 ( -7.585 7.674 4.513) 11.695 6.726 ( -8.108 1.639 -2.949) 8.782 7.058 ( -4.312 1.449 -10.549) 11.488 7.259 ( 3.538 -0.359 2.915) 4.598 7.385 ( -2.563 0.254 3.201) 4.109 7.693 ( 0.951 5.586 4.304) 7.116 7.810 ( -14.036 9.968 -4.498) 17.794 8.264 ( -3.955 -3.342 2.638) 5.812 8.653 ( 3.396 -3.550 5.116) 7.093 8.906 ( -8.448 4.242 9.646) 13.506 9.068 ( 10.932 -12.198 0.844) 16.402 9.261 ( -8.362 -2.478 0.140) 8.723 9.767 ( 10.775 -7.771 -4.612) 14.063 10.366 ( 5.078 2.100 -3.192) 6.355 10.424 ( -3.491 9.680 -4.428) 11.203 10.715 ( -5.509 -5.418 -4.922) 9.162 11.043 ( 2.347 6.775 -4.143) 8.281 11.571 ( 1.792 -5.449 -2.648) 6.318 11.901 ( 1.132 -9.734 6.184) 11.588 12.418 ( -0.126 0.216 2.440) 2.453 12.502 ( 1.261 -4.594 0.433) 4.784 12.873 ( 1.421 13.956 0.301) 14.031 13.316 ( -0.394 7.492 1.188) 7.596 14.034 ( 2.780 -2.541 -4.064) 5.541 14.128 ( -1.429 -0.598 -7.019) 7.188 14.560 ( -0.034 -7.420 -4.515) 8.686 14.882 ( -1.435 -1.594 -7.040) 7.360 15.805 ( 1.269 -7.891 6.807) 10.498 15.945 ( -3.748 -7.674 4.733) 9.765 16.164 ( -4.810 15.246 -8.235) 17.983 16.661 ( 2.189 10.182 1.702) 10.552 17.210 ( -2.885 -3.919 -1.286) 5.034 17.435 ( 2.231 0.605 11.504) 11.734 18.454 ( 3.690 0.880 -3.843) 5.400 18.520 ( -5.680 -6.491 -3.972) 9.496 19.368 ( 9.173 -3.942 -20.885) 23.149 19.556 ( 3.244 -6.894 -7.222) 10.498 20.569 ( -1.952 -0.507 11.551) 11.726 20.989 ( 1.361 8.156 19.534) 21.212 22.206 ( -0.730 1.450 2.505) 2.986 22.817 ( -7.804 -2.288 -3.690) 8.930 ======================= Grid point 71 (26/165) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( 0.045 -19.868 -7.981) 21.411 2.937 ( 22.450 -4.049 6.970) 23.854 3.424 ( -4.159 1.891 10.123) 11.106 3.492 ( -12.357 -4.380 12.405) 18.049 3.612 ( 2.309 21.062 9.540) 23.237 4.258 ( 0.277 -3.494 -5.632) 6.633 4.338 ( 1.054 19.427 -1.215) 19.494 5.116 ( -3.828 0.137 1.063) 3.975 5.217 ( -4.332 3.419 -0.390) 5.532 5.507 ( 1.274 -0.998 6.016) 6.230 5.857 ( -13.816 12.219 6.737) 19.636 6.146 ( 8.127 -5.768 -0.916) 10.008 6.306 ( 4.652 -7.328 11.201) 14.171 6.429 ( 2.100 1.313 2.900) 3.814 6.811 ( 8.481 -12.748 -6.649) 16.693 6.977 ( -6.836 0.394 -3.827) 7.844 7.233 ( -11.702 -4.299 1.013) 12.508 7.379 ( 4.921 5.559 5.098) 9.006 7.571 ( 0.601 -5.446 -0.578) 5.510 7.810 ( 8.453 -3.917 2.528) 9.653 8.248 ( -8.491 -5.690 -1.736) 10.367 8.681 ( 3.295 13.128 13.758) 19.300 8.748 ( -0.928 1.038 1.262) 1.879 9.152 ( -10.443 4.347 -2.788) 11.650 9.296 ( 4.513 -4.067 2.103) 6.429 10.003 ( 5.236 -6.874 -3.174) 9.206 10.198 ( -1.309 9.450 -3.347) 10.110 10.467 ( 1.643 -10.956 6.206) 12.698 10.784 ( -3.843 -9.984 -10.702) 15.132 10.964 ( 3.654 8.147 -4.791) 10.133 11.581 ( 3.804 6.169 -3.908) 8.235 12.046 ( -1.515 -5.364 11.904) 13.145 12.395 ( 1.493 4.280 -0.818) 4.606 12.620 ( 0.146 -0.718 0.179) 0.754 12.725 ( -1.568 -4.477 2.104) 5.190 13.242 ( -0.027 1.517 1.030) 1.834 14.094 ( -1.783 -1.307 -5.664) 6.080 14.117 ( 1.732 -0.830 -6.005) 6.305 14.618 ( -0.390 -0.559 -3.455) 3.522 14.902 ( 1.349 -1.209 -7.470) 7.687 15.808 ( 1.462 4.982 -5.449) 7.526 15.851 ( -5.438 12.956 -4.696) 14.815 16.163 ( 5.544 -12.642 12.006) 18.295 16.597 ( -1.450 0.693 -0.438) 1.666 17.222 ( -1.945 -1.552 1.592) 2.955 17.449 ( 2.636 1.906 9.854) 10.377 18.475 ( -2.301 -1.969 -3.740) 4.813 18.536 ( 1.361 0.418 -3.797) 4.055 19.462 ( 5.578 2.023 -19.549) 20.430 19.631 ( -5.851 -5.248 -7.763) 11.047 20.587 ( -0.484 -3.583 17.526) 17.895 20.905 ( 0.028 5.396 15.877) 16.769 22.203 ( 1.522 -0.217 3.054) 3.419 22.759 ( -2.087 1.856 -6.323) 6.912 ======================= Grid point 72 (27/165) ======================= q-point: (-0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( -19.943 14.107 12.412) 27.400 2.839 ( -5.103 35.291 2.266) 35.730 3.303 ( 1.372 -4.002 4.940) 6.504 3.425 ( -0.796 -7.642 10.476) 12.992 3.696 ( 5.801 -12.404 6.668) 15.230 4.074 ( -0.296 18.955 2.627) 19.138 4.386 ( 5.055 -7.165 -6.476) 10.901 4.793 ( -25.767 27.277 6.872) 38.147 5.094 ( -4.743 2.307 -0.863) 5.344 5.387 ( -3.480 -2.307 4.921) 6.454 5.728 ( 3.000 1.741 9.262) 9.890 6.083 ( -0.569 6.943 -10.524) 12.621 6.456 ( 1.326 -4.550 7.312) 8.714 6.527 ( 5.282 -2.383 0.112) 5.796 6.890 ( -6.340 -1.909 -1.281) 6.744 7.101 ( 6.313 -10.452 -6.194) 13.692 7.231 ( -4.112 -6.101 2.366) 7.728 7.491 ( 8.594 -6.450 6.689) 12.657 7.674 ( -0.255 -5.697 -1.970) 6.033 8.055 ( 11.866 -4.274 5.601) 13.800 8.264 ( -8.286 -10.008 -6.045) 14.331 8.486 ( 0.472 12.976 11.393) 17.275 8.719 ( 5.566 5.488 4.161) 8.855 8.930 ( -7.696 7.146 -3.433) 11.049 9.350 ( 2.276 0.044 3.449) 4.132 9.887 ( -4.383 11.377 1.282) 12.259 10.331 ( 0.475 -16.489 -3.437) 16.850 10.670 ( -2.506 -7.616 4.435) 9.163 10.841 ( 4.818 3.380 -0.434) 5.901 10.929 ( -1.249 -5.471 -12.132) 13.367 11.496 ( 4.307 11.076 -6.013) 13.318 12.036 ( -4.640 -1.016 14.453) 15.213 12.274 ( 1.384 12.323 2.790) 12.710 12.663 ( -2.304 -11.343 -2.581) 11.860 12.896 ( -0.620 -12.376 4.247) 13.099 13.259 ( 0.407 -2.712 -1.257) 3.017 14.050 ( -3.406 0.762 -5.398) 6.428 14.165 ( 1.531 -1.758 -7.206) 7.574 14.562 ( -0.233 7.072 -2.874) 7.637 14.947 ( 3.418 -1.624 -6.772) 7.758 15.563 ( -0.501 17.788 2.572) 17.980 15.816 ( 5.257 1.648 -8.300) 9.962 16.443 ( 11.648 -9.860 8.903) 17.668 16.582 ( -9.293 -7.262 -1.329) 11.869 17.214 ( -0.319 0.859 3.731) 3.842 17.452 ( 3.413 2.676 5.980) 7.387 18.464 ( -4.774 -3.095 -3.379) 6.617 18.526 ( 3.930 5.352 -3.553) 7.530 19.423 ( 0.824 7.284 -16.263) 17.839 19.561 ( -13.986 -1.222 -16.807) 21.899 20.688 ( -0.147 -8.648 21.527) 23.200 20.835 ( -0.565 3.468 16.741) 17.106 22.246 ( 2.773 -1.525 3.634) 4.819 22.707 ( 5.018 6.770 -8.255) 11.797 ======================= Grid point 73 (28/165) ======================= q-point: (-0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( -28.552 36.761 -1.895) 46.585 2.178 ( -9.019 37.328 30.643) 49.130 3.180 ( -29.918 35.357 26.077) 53.153 3.492 ( -2.927 -10.055 3.474) 11.034 3.791 ( 8.675 -3.705 13.350) 16.346 3.979 ( 2.237 -15.357 0.108) 15.519 4.339 ( 1.464 9.594 5.170) 10.996 4.572 ( 4.785 -7.675 -7.153) 11.531 4.967 ( -10.756 0.180 3.019) 11.173 5.409 ( -0.224 4.773 0.703) 4.830 5.660 ( -2.078 3.833 -0.334) 4.373 6.003 ( 0.860 3.498 -1.873) 4.060 6.475 ( -1.545 1.093 1.658) 2.515 6.713 ( 11.221 -8.157 0.529) 13.883 6.901 ( -2.492 -7.479 0.295) 7.889 7.249 ( -1.608 -3.590 1.496) 4.209 7.372 ( 8.194 -8.699 -5.127) 13.004 7.600 ( -0.901 -2.345 1.991) 3.206 7.775 ( -0.399 -6.808 6.910) 9.708 8.023 ( 4.581 12.745 -6.966) 15.230 8.298 ( -8.991 3.784 5.449) 11.173 8.338 ( 1.289 -2.423 -5.512) 6.157 8.710 ( -0.314 16.986 1.677) 17.072 8.924 ( 14.068 -11.882 10.621) 21.258 9.407 ( 2.586 -4.660 1.111) 5.444 9.685 ( -8.682 5.214 -0.132) 10.128 10.467 ( -11.608 -2.720 1.675) 12.039 10.636 ( 0.218 0.971 1.223) 1.577 10.793 ( -2.060 4.871 -9.751) 11.092 11.074 ( 0.307 -10.411 -1.573) 10.534 11.353 ( 1.348 10.836 -10.178) 14.928 12.016 ( -7.213 -0.247 16.131) 17.672 12.173 ( 3.348 -0.515 4.780) 5.858 12.862 ( -4.176 -19.018 0.038) 19.471 13.038 ( -1.106 -6.779 1.808) 7.102 13.320 ( 2.767 -3.134 -1.428) 4.418 14.007 ( -2.301 -0.297 -6.643) 7.036 14.198 ( 0.643 -1.200 -8.352) 8.462 14.421 ( -0.765 8.942 -1.143) 9.047 15.032 ( 4.726 -3.411 -5.921) 8.308 15.284 ( 0.417 18.888 7.849) 20.458 15.854 ( 10.954 6.517 -3.939) 13.341 16.605 ( -10.830 -11.774 -2.149) 16.141 16.748 ( 17.672 -6.521 5.655) 19.667 17.199 ( 1.353 1.629 5.398) 5.798 17.452 ( 6.448 5.797 -0.848) 8.712 18.423 ( 0.797 8.200 -3.670) 9.019 18.500 ( -3.795 -5.192 -3.231) 7.197 19.218 ( -24.356 4.596 -30.780) 39.519 19.317 ( -6.819 13.597 -13.124) 20.090 20.730 ( -2.954 1.576 7.737) 8.431 20.948 ( 2.563 -16.227 35.110) 38.763 22.302 ( 0.855 -2.229 2.735) 3.631 22.678 ( 16.360 12.653 -6.944) 21.817 ======================= Grid point 74 (29/165) ======================= q-point: (-0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -19.737 30.056 19.613) 40.959 1.514 ( -11.951 33.425 40.787) 54.071 2.123 ( -34.759 40.944 49.413) 72.981 3.600 ( -2.410 -6.749 -0.940) 7.228 4.095 ( 11.238 -8.375 5.837) 15.182 4.183 ( 0.276 -8.978 -2.423) 9.303 4.363 ( 6.326 -1.529 3.956) 7.616 4.737 ( 1.704 -12.743 3.185) 13.245 4.865 ( -3.800 -1.569 7.733) 8.758 5.285 ( 5.538 8.117 -4.549) 10.828 5.603 ( -5.260 1.696 0.143) 5.529 5.994 ( 3.454 -0.681 4.679) 5.856 6.432 ( -3.212 0.638 0.786) 3.368 6.887 ( 10.282 2.126 -2.016) 10.692 7.133 ( 1.686 -21.092 7.377) 22.408 7.259 ( -1.620 -1.784 1.440) 2.807 7.463 ( -3.810 -3.989 -6.498) 8.524 7.745 ( 14.402 -6.123 4.214) 16.207 7.806 ( -3.324 -0.602 0.629) 3.436 7.987 ( 6.325 2.546 -3.300) 7.575 8.140 ( -7.166 3.664 2.086) 8.315 8.374 ( -6.217 -3.310 -5.402) 8.877 8.461 ( 24.805 28.161 13.161) 39.769 9.233 ( 10.715 -6.224 3.159) 12.788 9.495 ( -12.817 1.452 -1.916) 13.041 9.564 ( -2.670 -13.566 -5.228) 14.782 10.286 ( -14.059 1.959 3.547) 14.631 10.471 ( -1.127 15.218 2.178) 15.414 10.724 ( -26.357 -6.002 -17.447) 32.173 11.133 ( -2.222 5.446 -12.826) 14.110 11.240 ( -2.637 -2.158 -0.134) 3.410 11.891 ( -6.693 4.123 11.033) 13.547 12.309 ( 3.923 -6.516 11.679) 13.937 13.067 ( -5.283 -5.652 -6.925) 10.383 13.112 ( -5.112 -14.833 -3.061) 15.985 13.463 ( 5.265 -12.232 9.177) 16.173 13.990 ( 1.401 2.378 -11.257) 11.591 14.195 ( -0.560 1.320 -9.009) 9.122 14.325 ( -2.594 0.916 1.860) 3.321 15.043 ( -3.445 4.759 8.318) 10.184 15.161 ( 10.243 0.086 1.911) 10.420 15.895 ( 17.994 8.008 2.935) 19.913 16.669 ( 0.047 -4.663 -2.574) 5.326 17.019 ( 16.725 1.512 6.954) 18.176 17.236 ( 0.816 -3.258 0.896) 3.476 17.344 ( 13.793 30.328 -14.001) 36.140 18.234 ( -21.838 2.881 -12.999) 25.576 18.570 ( -25.840 3.917 -22.814) 34.692 18.590 ( -19.425 2.087 -9.936) 21.919 19.035 ( -0.773 18.284 -4.289) 18.796 20.674 ( -2.524 1.316 6.831) 7.400 21.339 ( 2.346 -27.550 27.479) 38.982 22.325 ( -1.245 -1.354 0.522) 1.913 22.747 ( 33.320 14.480 2.679) 36.429 ======================= Grid point 76 (30/165) ======================= q-point: ( 0.12 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 43.123 0.000 8.511) 43.955 1.862 ( 37.983 0.000 39.993) 55.156 2.496 ( 54.252 0.000 52.466) 75.472 3.509 ( -3.423 -0.000 -5.748) 6.690 3.899 ( -7.652 -0.000 -2.545) 8.064 3.919 ( -22.939 -0.000 15.799) 27.853 4.510 ( 6.499 0.000 -0.426) 6.513 4.828 ( 14.650 0.000 -0.403) 14.656 5.218 ( -8.121 -0.000 -0.262) 8.125 5.431 ( 8.195 0.000 12.542) 14.982 5.493 ( 5.346 0.000 -6.991) 8.801 6.303 ( -3.495 -0.000 -3.575) 4.999 6.355 ( -8.707 -0.000 -6.133) 10.650 6.853 ( -13.177 -0.000 5.220) 14.173 6.858 ( -8.246 -0.000 2.662) 8.665 7.161 ( -10.744 -0.000 -9.563) 14.384 7.649 ( -14.949 -0.000 2.422) 15.144 7.683 ( -3.251 -0.000 5.500) 6.389 7.854 ( -12.177 -0.000 28.502) 30.994 7.870 ( 9.194 0.000 8.424) 12.470 8.118 ( 3.828 0.000 -1.935) 4.290 8.328 ( 14.641 0.000 1.482) 14.716 8.664 ( 20.201 0.000 -1.981) 20.298 8.800 ( -18.594 -0.000 -13.502) 22.979 9.425 ( -4.924 -0.000 -5.144) 7.121 9.904 ( -3.421 -0.000 5.791) 6.726 10.083 ( -2.048 -0.000 -9.070) 9.298 10.413 ( 1.081 0.000 9.584) 9.645 10.721 ( 33.314 0.000 -40.127) 52.154 10.925 ( -3.807 -0.000 -11.364) 11.985 11.290 ( 3.354 0.000 0.656) 3.417 11.707 ( -0.050 -0.000 4.010) 4.010 12.516 ( 1.967 0.000 13.452) 13.595 12.726 ( -7.194 -0.000 -12.455) 14.383 13.132 ( 1.458 0.000 -2.041) 2.508 13.804 ( 2.685 0.000 14.798) 15.039 13.925 ( -0.872 -0.000 -16.924) 16.946 14.098 ( -0.989 -0.000 -11.155) 11.199 14.236 ( -1.911 -0.000 0.147) 1.917 15.074 ( -19.365 -0.000 26.814) 33.076 15.191 ( 2.198 0.000 9.042) 9.305 15.428 ( 3.771 0.000 6.181) 7.240 16.529 ( 3.787 0.000 -0.414) 3.809 17.148 ( 0.077 0.000 -14.795) 14.795 17.315 ( 5.603 0.000 17.538) 18.411 17.322 ( 1.078 0.000 -7.387) 7.465 18.193 ( -5.233 -0.000 -0.907) 5.311 18.630 ( -3.561 -0.000 -8.492) 9.209 18.792 ( 4.202 0.000 -4.283) 6.000 19.244 ( 43.623 0.000 -37.013) 57.210 20.584 ( -2.288 -0.000 4.762) 5.283 21.523 ( -3.571 -0.000 -2.562) 4.395 22.428 ( 4.522 0.000 1.890) 4.901 22.588 ( -34.181 -0.000 28.480) 44.491 ======================= Grid point 77 (31/165) ======================= q-point: ( 0.25 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 38.793 -7.533 2.566) 39.601 2.193 ( 43.784 8.412 25.897) 51.560 3.405 ( 11.801 -3.480 17.561) 21.442 3.485 ( 11.795 -8.241 6.547) 15.808 3.697 ( -2.281 -11.837 18.784) 22.319 3.996 ( 7.324 -19.730 6.571) 22.047 4.538 ( 0.594 1.561 -0.218) 1.684 5.008 ( 10.526 -0.533 1.899) 10.709 5.068 ( 2.310 9.569 3.872) 10.579 5.486 ( 0.417 5.152 -0.571) 5.200 5.541 ( 5.526 2.029 2.669) 6.463 6.169 ( -9.005 1.826 0.410) 9.197 6.268 ( -4.656 -1.613 -6.444) 8.112 6.696 ( -6.519 3.246 -1.401) 7.416 6.813 ( -9.179 -1.835 8.765) 12.824 7.071 ( -9.122 -2.271 -10.400) 14.019 7.373 ( -2.247 10.340 2.152) 10.798 7.576 ( -3.812 8.593 8.620) 12.755 7.787 ( 0.887 2.175 1.630) 2.859 8.045 ( -0.559 -4.115 7.625) 8.683 8.248 ( 6.614 -6.270 3.507) 9.765 8.446 ( -13.266 8.049 -7.315) 17.155 8.564 ( 11.072 -9.187 -0.917) 14.416 8.959 ( 8.264 -5.300 1.884) 9.997 9.303 ( -8.357 3.355 -3.470) 9.651 9.797 ( 1.091 6.561 0.365) 6.661 10.152 ( -2.135 -9.992 -6.647) 12.189 10.547 ( 0.774 -12.154 5.427) 13.333 10.740 ( -0.085 10.356 -15.818) 18.906 11.093 ( 2.605 -13.251 -15.406) 20.487 11.273 ( 3.332 7.201 1.294) 8.040 11.764 ( 3.565 -3.489 0.498) 5.013 12.498 ( -0.920 3.219 10.718) 11.229 12.619 ( 0.132 6.887 -11.743) 13.614 13.136 ( 2.293 2.635 -1.797) 3.928 13.653 ( 1.541 13.735 2.409) 14.029 14.034 ( -0.883 -5.285 -4.835) 7.218 14.073 ( -0.129 2.383 -6.681) 7.095 14.250 ( -0.336 -7.811 -4.448) 8.996 14.857 ( -4.100 3.007 11.530) 12.602 15.414 ( -5.711 -16.201 11.329) 20.577 15.551 ( -2.054 -13.794 6.821) 15.525 16.540 ( 1.583 6.045 -2.787) 6.842 17.050 ( -4.709 5.619 -1.737) 7.534 17.237 ( 7.973 11.099 -7.187) 15.440 17.426 ( 2.911 -1.293 8.868) 9.422 18.209 ( -6.168 -9.237 -2.652) 11.419 18.549 ( 1.836 3.574 -5.704) 6.977 18.964 ( 0.538 -13.301 -5.823) 14.530 19.625 ( 27.115 3.218 -28.690) 39.606 20.563 ( -1.845 -0.049 5.556) 5.854 21.358 ( -1.631 13.657 9.272) 16.588 22.212 ( -16.546 0.400 15.525) 22.692 22.595 ( -4.924 -10.885 2.934) 12.303 ======================= Grid point 78 (32/165) ======================= q-point: ( 0.38 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 21.093 -4.268 8.745) 23.229 2.748 ( 44.948 -4.489 0.688) 45.176 3.402 ( 2.231 1.300 6.103) 6.627 3.429 ( -8.148 0.871 15.021) 17.111 3.884 ( -2.625 -7.735 -4.582) 9.366 4.440 ( -1.215 6.078 3.071) 6.917 4.847 ( 2.517 13.413 12.327) 18.390 4.985 ( 30.739 -33.196 22.585) 50.566 5.205 ( 12.027 -6.018 -1.424) 13.524 5.322 ( -8.558 7.050 5.198) 12.246 5.547 ( 7.404 3.027 2.464) 8.370 6.113 ( -1.883 -1.465 -5.093) 5.624 6.249 ( -6.571 -2.518 -3.707) 7.954 6.595 ( -1.566 2.949 -4.984) 5.999 6.679 ( -7.124 4.206 6.854) 10.744 6.965 ( -9.298 -0.352 -9.137) 13.040 7.320 ( -6.789 9.567 4.259) 12.480 7.397 ( 5.067 0.552 0.663) 5.140 7.776 ( -2.097 -0.895 -0.849) 2.433 7.867 ( -7.142 15.409 4.293) 17.518 8.214 ( -1.340 3.769 0.576) 4.042 8.535 ( 0.645 -13.852 3.608) 14.329 8.805 ( 2.978 -7.457 0.833) 8.073 9.058 ( 3.544 -1.982 2.505) 4.771 9.207 ( -0.868 0.073 0.465) 0.988 9.791 ( 3.648 -1.857 -1.002) 4.214 10.284 ( -3.334 -11.021 -8.760) 14.467 10.512 ( -5.565 11.178 -9.805) 15.876 10.703 ( 1.309 -2.079 2.518) 3.518 11.158 ( 2.075 8.396 -1.384) 8.758 11.360 ( -1.120 -19.655 -2.250) 19.815 11.860 ( 5.027 -1.393 -1.640) 5.469 12.430 ( -3.211 2.238 6.831) 7.872 12.548 ( 5.285 4.932 -5.187) 8.897 13.082 ( 2.328 8.976 -1.147) 9.343 13.464 ( 0.312 12.308 1.259) 12.376 14.045 ( 1.519 0.895 -3.666) 4.068 14.076 ( -1.645 -3.220 -6.114) 7.103 14.415 ( 0.279 -11.432 -5.492) 12.686 14.797 ( -4.818 -1.101 0.694) 4.991 15.621 ( -2.519 -16.625 10.176) 19.655 15.703 ( -6.762 -12.838 4.151) 15.092 16.358 ( -1.617 15.221 -4.187) 15.869 16.926 ( 5.476 12.655 0.852) 13.815 17.181 ( 2.579 3.147 -5.412) 6.771 17.465 ( 1.272 -0.643 10.176) 10.276 18.274 ( -6.657 -8.745 -4.130) 11.740 18.573 ( 6.241 0.281 -4.428) 7.658 19.148 ( -3.797 -12.936 -7.753) 15.551 19.800 ( 18.240 7.088 -18.888) 27.197 20.546 ( -1.421 0.016 8.581) 8.697 21.153 ( -0.782 11.355 16.559) 20.093 22.096 ( -12.537 -6.159 7.295) 15.758 22.689 ( -0.613 -5.906 -2.717) 6.530 ======================= Grid point 79 (33/165) ======================= q-point: ( 0.50 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( 7.501 -7.524 2.884) 11.009 3.248 ( 15.786 -1.553 6.344) 17.083 3.337 ( 11.054 2.533 8.382) 14.101 3.441 ( 1.109 0.252 12.474) 12.526 3.920 ( -0.793 5.092 -10.712) 11.887 4.245 ( -2.586 11.162 2.269) 11.680 4.631 ( 1.258 15.271 10.189) 18.401 5.131 ( -1.034 3.853 -4.997) 6.394 5.198 ( -1.484 -0.503 5.428) 5.650 5.537 ( 4.760 -0.630 5.090) 6.997 5.936 ( -1.450 10.916 9.462) 14.519 6.069 ( 4.003 -12.976 0.497) 13.588 6.235 ( 7.266 -10.819 7.310) 14.943 6.499 ( -2.104 6.256 6.560) 9.306 6.716 ( 5.841 -9.042 -9.302) 14.227 6.857 ( -9.240 -0.835 -5.308) 10.689 7.016 ( -16.463 0.695 0.314) 16.480 7.548 ( 9.625 -2.031 2.654) 10.189 7.588 ( -0.654 9.836 2.171) 10.094 7.851 ( 4.948 -5.629 0.307) 7.501 8.130 ( -3.925 2.699 0.962) 4.859 8.665 ( -3.498 -3.463 5.497) 7.379 8.850 ( 3.777 1.230 4.911) 6.316 9.102 ( -4.547 1.115 -4.911) 6.785 9.290 ( 5.903 -4.423 1.390) 7.507 9.892 ( -2.139 -8.934 -0.978) 9.238 10.321 ( -1.098 0.620 -7.959) 8.058 10.392 ( -2.030 -0.032 -0.954) 2.244 10.649 ( -0.540 3.805 0.758) 3.917 11.089 ( 1.425 3.969 -5.350) 6.812 11.633 ( 2.181 -12.077 -0.387) 12.278 11.919 ( 0.342 -2.616 2.802) 3.848 12.374 ( -3.631 -1.142 4.554) 5.935 12.604 ( 6.886 -2.012 0.539) 7.194 12.901 ( 1.006 17.026 -1.957) 17.168 13.304 ( -0.862 7.679 1.859) 7.948 14.052 ( -1.695 -1.070 -7.121) 7.398 14.107 ( 0.868 -1.987 -4.068) 4.610 14.558 ( 0.225 -6.507 -4.070) 7.679 14.794 ( -5.296 -6.946 -4.413) 9.786 15.724 ( -5.063 -6.016 -6.200) 10.014 15.932 ( -1.115 -19.686 10.359) 22.273 16.106 ( 1.851 15.988 0.597) 16.106 16.769 ( 5.037 15.756 -1.348) 16.597 17.194 ( 0.581 -1.489 1.795) 2.403 17.493 ( 1.622 -0.461 7.904) 8.082 18.307 ( -6.323 -6.188 -4.280) 9.828 18.652 ( 7.855 1.231 -4.664) 9.218 19.244 ( -8.797 -9.582 -11.532) 17.383 19.843 ( 12.880 10.592 -12.171) 20.645 20.544 ( -1.028 -1.502 13.403) 13.526 21.006 ( -1.311 7.587 16.470) 18.181 22.088 ( -8.432 -8.383 4.474) 12.703 22.765 ( 3.300 -2.396 -5.935) 7.201 ======================= Grid point 80 (34/165) ======================= q-point: (-0.38 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( -9.670 3.482 7.718) 12.853 3.186 ( -5.959 -1.604 12.040) 13.529 3.302 ( -9.419 19.782 2.128) 22.013 3.549 ( 16.001 14.524 10.480) 24.017 3.760 ( 16.040 2.140 3.449) 16.546 4.266 ( 1.627 -9.588 -10.125) 14.039 4.425 ( 3.198 16.417 9.456) 19.214 4.912 ( -14.786 16.822 -1.012) 22.420 5.207 ( -15.158 26.534 7.403) 31.443 5.340 ( 11.654 -4.308 1.692) 12.539 5.786 ( 3.748 -0.677 11.249) 11.876 6.132 ( -0.383 -0.755 -12.254) 12.283 6.363 ( -9.046 1.799 8.246) 12.372 6.486 ( -3.843 -5.726 4.549) 8.262 6.783 ( -3.054 -4.571 -3.660) 6.605 6.965 ( 3.504 -11.958 -7.524) 14.556 7.104 ( 6.275 -11.296 1.825) 13.050 7.555 ( 6.617 0.798 4.446) 8.012 7.638 ( 1.192 -1.882 1.078) 2.475 7.990 ( -9.360 -6.400 -4.132) 12.068 8.188 ( 18.263 -6.350 7.936) 20.900 8.627 ( 1.482 3.434 6.458) 7.463 8.877 ( 0.420 9.091 2.017) 9.321 8.903 ( -8.171 3.033 -5.509) 10.311 9.377 ( 3.269 -0.133 -0.921) 3.399 10.011 ( -5.364 -7.677 0.313) 9.371 10.189 ( 1.439 13.757 -2.179) 14.003 10.442 ( -3.826 -13.104 7.022) 15.351 10.730 ( 0.100 -11.425 -5.995) 12.903 11.020 ( 1.158 7.109 -6.003) 9.376 11.713 ( 6.784 7.795 -5.087) 11.518 11.933 ( -8.483 -4.340 13.907) 16.858 12.433 ( 0.798 -7.760 -0.158) 7.803 12.610 ( -0.531 17.588 -3.824) 18.006 12.744 ( 2.780 -6.024 7.413) 9.948 13.235 ( -0.305 -0.073 -0.433) 0.535 14.019 ( -3.061 0.883 -6.720) 7.437 14.150 ( 1.043 -1.961 -5.724) 6.140 14.611 ( 0.001 -0.311 -2.484) 2.503 14.860 ( -3.421 -7.933 -7.336) 11.334 15.762 ( -0.670 -1.823 -10.467) 10.645 15.881 ( 2.959 10.677 3.994) 11.777 16.269 ( 1.555 -18.141 6.592) 19.364 16.589 ( 1.232 10.578 0.839) 10.682 17.219 ( -0.033 -0.812 5.834) 5.890 17.534 ( 4.493 -0.282 4.628) 6.457 18.321 ( -4.742 -4.892 -3.561) 7.688 18.691 ( 6.669 5.359 -6.694) 10.863 19.206 ( -14.335 -3.585 -16.915) 22.460 19.774 ( 8.061 14.304 -8.109) 18.312 20.589 ( -0.603 -4.975 18.146) 18.825 20.898 ( -1.583 5.100 16.081) 16.944 22.142 ( -4.990 -8.485 3.253) 10.367 22.842 ( 7.303 -0.034 -7.889) 10.751 ======================= Grid point 81 (35/165) ======================= q-point: (-0.25 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( -18.997 26.963 13.755) 35.736 2.644 ( -14.674 41.689 6.470) 44.668 3.260 ( -3.116 -10.943 2.610) 11.674 3.642 ( 13.409 2.038 21.764) 25.644 3.816 ( -1.973 27.145 12.091) 29.781 4.127 ( 14.860 16.538 11.534) 25.047 4.456 ( -2.735 6.336 2.490) 7.337 4.461 ( -0.792 -7.164 -7.250) 10.223 4.866 ( -12.129 2.880 4.441) 13.234 5.500 ( 9.246 1.737 -1.289) 9.495 5.722 ( -4.854 8.134 2.330) 9.755 6.052 ( -3.049 5.138 -0.203) 5.978 6.394 ( -4.027 -6.911 -1.623) 8.162 6.558 ( 1.233 -14.613 -0.880) 14.691 6.887 ( 4.840 -6.685 -1.916) 8.473 7.102 ( -4.342 -6.668 0.104) 7.957 7.339 ( 6.634 -5.934 -4.639) 10.037 7.614 ( 4.171 -1.716 -1.620) 4.792 7.686 ( -0.703 -3.886 5.439) 6.722 7.942 ( -13.083 -6.385 -0.967) 14.590 8.340 ( 10.655 15.635 -5.817) 19.795 8.595 ( -0.353 9.487 -0.720) 9.521 8.812 ( 10.284 -9.968 6.714) 15.818 8.924 ( 2.399 -5.115 4.485) 7.214 9.393 ( 0.703 1.076 -1.385) 1.889 9.801 ( -2.965 16.904 4.983) 17.871 10.165 ( -12.887 -5.255 -0.420) 13.924 10.565 ( -4.426 -8.853 3.230) 10.411 10.916 ( -0.129 5.983 -6.762) 9.030 10.927 ( 2.950 -10.100 -3.469) 11.079 11.586 ( 2.517 14.964 -5.749) 16.226 11.905 ( -5.657 -3.272 15.741) 17.043 12.328 ( 2.645 14.717 3.738) 15.413 12.599 ( -2.832 -10.668 -5.139) 12.175 12.884 ( -1.332 -10.447 6.604) 12.430 13.290 ( 2.102 -4.742 -1.629) 5.437 13.969 ( -2.137 0.525 -5.549) 5.969 14.179 ( 0.134 -1.233 -7.644) 7.744 14.554 ( -0.061 7.531 -2.874) 8.061 14.942 ( -1.971 -7.428 -8.968) 11.810 15.612 ( 3.660 17.317 8.465) 19.620 15.974 ( 7.970 -6.273 -9.925) 14.191 16.336 ( -10.107 -1.819 -1.898) 10.443 16.701 ( 6.607 -15.701 6.464) 18.220 17.221 ( -0.507 0.287 8.292) 8.312 17.626 ( 8.210 -2.001 1.720) 8.624 18.350 ( -2.563 -4.988 -2.400) 6.100 18.623 ( 3.833 12.090 -14.275) 19.095 18.980 ( -18.230 6.882 -19.940) 27.880 19.596 ( 3.540 17.513 -6.350) 18.962 20.673 ( -2.262 -4.949 14.203) 15.210 20.856 ( 1.091 -1.727 24.527) 24.612 22.214 ( -2.703 -6.533 1.670) 7.265 22.938 ( 10.164 0.576 -8.454) 13.233 ======================= Grid point 82 (36/165) ======================= q-point: (-0.12 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -7.529 34.365 16.562) 38.884 1.759 ( -21.107 42.957 19.610) 51.724 3.014 ( 16.511 59.194 42.598) 74.774 3.419 ( -1.718 -7.840 -2.665) 8.456 3.979 ( 5.513 -15.482 14.192) 21.714 4.236 ( 11.804 1.177 4.365) 12.640 4.288 ( -12.109 0.927 5.787) 13.453 4.606 ( 2.485 -4.451 -3.942) 6.444 4.816 ( 0.556 -6.107 8.343) 10.354 5.436 ( 0.489 8.529 -3.860) 9.375 5.611 ( -1.268 2.931 -2.852) 4.282 6.019 ( 3.877 -1.450 6.362) 7.590 6.381 ( -4.876 -1.276 -3.115) 5.925 6.863 ( 2.863 -15.178 -4.463) 16.077 7.030 ( 6.913 -0.197 -0.515) 6.935 7.142 ( -8.187 -9.029 5.346) 13.309 7.357 ( -1.867 -1.687 -5.393) 5.951 7.702 ( -3.682 -2.481 4.426) 6.269 7.778 ( -8.674 -12.253 -7.439) 16.755 7.912 ( 5.816 -1.906 2.555) 6.632 8.206 ( 7.623 12.083 -3.860) 14.799 8.452 ( -0.365 9.883 -4.307) 10.787 8.958 ( 6.664 -1.338 1.200) 6.902 9.210 ( 5.803 -11.332 8.197) 15.142 9.316 ( -7.562 3.054 -4.515) 9.322 9.583 ( 1.611 9.299 5.549) 10.948 9.967 ( -14.038 2.953 4.153) 14.934 10.628 ( -0.606 -1.363 0.149) 1.499 10.747 ( -1.591 14.010 -8.941) 16.695 11.093 ( 1.131 -6.757 -0.961) 6.919 11.346 ( -0.626 16.445 -8.318) 18.440 11.867 ( -5.521 1.690 12.355) 13.637 12.284 ( 5.351 -2.485 9.586) 11.256 12.713 ( -8.001 -13.058 -5.172) 16.164 13.015 ( -0.471 -7.293 0.912) 7.364 13.406 ( 3.350 -6.310 1.945) 7.404 13.965 ( -0.445 -2.522 -4.719) 5.369 14.185 ( -1.100 -0.643 -8.764) 8.856 14.404 ( -0.141 10.593 -3.636) 11.200 14.997 ( -4.069 -2.660 -8.200) 9.533 15.421 ( 7.618 14.492 15.076) 22.256 16.051 ( 1.844 5.974 -5.168) 8.112 16.394 ( -3.716 -18.079 -6.488) 19.564 17.009 ( 2.413 -14.866 2.290) 15.233 17.213 ( -0.348 0.654 10.268) 10.294 17.722 ( -14.758 -4.895 -3.825) 16.012 18.371 ( 18.374 24.317 -25.798) 39.930 18.428 ( 1.029 -0.969 -13.303) 13.378 18.625 ( -6.882 14.138 -4.375) 16.321 19.328 ( 0.235 19.969 -6.435) 20.982 20.661 ( -3.270 0.660 6.724) 7.506 21.044 ( 2.973 -16.302 32.337) 36.335 22.271 ( -1.104 -3.897 0.689) 4.109 23.048 ( 6.445 -1.113 -7.345) 9.835 ======================= Grid point 85 (37/165) ======================= q-point: ( 0.25 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 41.114 0.000 -5.601) 41.494 2.735 ( 29.584 0.000 26.568) 39.762 3.422 ( -8.972 -0.000 8.382) 12.278 3.523 ( -5.152 -0.000 8.512) 9.950 3.860 ( 5.825 0.000 1.826) 6.105 3.934 ( 59.593 0.000 27.698) 65.716 4.482 ( -7.767 -0.000 0.636) 7.793 5.125 ( -0.765 -0.000 -3.098) 3.191 5.148 ( 11.910 0.000 1.135) 11.964 5.559 ( -9.281 -0.000 13.756) 16.594 5.584 ( 2.823 0.000 -8.064) 8.544 6.148 ( 7.281 0.000 1.436) 7.421 6.168 ( -7.438 -0.000 -5.520) 9.263 6.590 ( -14.057 -0.000 8.088) 16.218 6.758 ( -0.049 -0.000 0.155) 0.163 6.957 ( -5.816 -0.000 -4.479) 7.341 7.430 ( -1.139 -0.000 0.597) 1.286 7.595 ( -6.105 -0.000 9.839) 11.579 7.752 ( -6.235 -0.000 1.127) 6.336 8.093 ( 7.134 0.000 6.047) 9.352 8.200 ( -0.062 -0.000 -3.897) 3.897 8.433 ( -5.559 -0.000 -7.789) 9.569 8.637 ( 10.051 0.000 -0.353) 10.057 9.043 ( 10.892 0.000 1.378) 10.979 9.201 ( -11.487 -0.000 -3.195) 11.923 9.824 ( -3.857 -0.000 0.827) 3.944 10.045 ( 0.245 0.000 -3.672) 3.680 10.438 ( 0.070 0.000 6.317) 6.318 10.859 ( -0.447 -0.000 -11.386) 11.395 10.908 ( -7.023 -0.000 -15.789) 17.280 11.405 ( 5.617 0.000 -0.693) 5.660 11.793 ( 6.616 0.000 -1.404) 6.763 12.490 ( -5.339 -0.000 12.241) 13.355 12.696 ( 4.314 0.000 -17.201) 17.733 13.179 ( 2.378 0.000 -2.406) 3.383 13.864 ( 1.364 0.000 12.371) 12.446 13.882 ( -1.021 -0.000 -17.099) 17.129 14.096 ( 1.200 0.000 -8.516) 8.600 14.205 ( -0.390 -0.000 -1.297) 1.354 14.831 ( -5.458 -0.000 19.591) 20.337 15.245 ( 1.467 0.000 10.805) 10.904 15.402 ( -7.284 -0.000 5.198) 8.949 16.638 ( 3.961 0.000 -0.774) 4.036 17.002 ( -6.686 -0.000 -6.369) 9.234 17.394 ( 0.888 0.000 14.697) 14.724 17.513 ( 11.346 0.000 -14.683) 18.555 18.064 ( -4.995 -0.000 -2.512) 5.592 18.564 ( -1.556 -0.000 -2.728) 3.141 18.906 ( 6.019 0.000 -4.638) 7.598 19.917 ( 18.950 0.000 -22.681) 29.556 20.553 ( -0.136 -0.000 4.866) 4.868 21.456 ( -1.716 -0.000 -1.552) 2.314 21.917 ( -24.551 -0.000 27.195) 36.637 22.544 ( 4.783 0.000 -0.660) 4.828 ======================= Grid point 86 (38/165) ======================= q-point: ( 0.38 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 23.115 10.759 2.777) 25.647 3.119 ( 21.547 -6.106 5.172) 22.985 3.335 ( -4.736 -6.086 11.011) 13.443 3.508 ( 6.065 4.275 9.231) 11.843 3.924 ( 16.498 5.459 1.395) 17.434 4.361 ( -7.261 -2.976 4.910) 9.257 4.887 ( 29.654 -19.456 15.798) 38.826 5.090 ( 10.891 0.513 3.494) 11.449 5.277 ( 8.296 -0.273 -1.412) 8.420 5.328 ( -11.741 5.245 8.993) 15.692 5.629 ( -0.848 -1.663 -1.658) 2.497 6.045 ( -4.666 0.703 -5.544) 7.280 6.262 ( 7.799 4.731 4.492) 10.168 6.517 ( -3.943 -6.790 0.185) 7.854 6.712 ( -1.126 5.608 5.153) 7.698 6.886 ( -5.432 1.759 -4.005) 6.975 7.382 ( -13.677 13.155 3.704) 19.335 7.478 ( 7.966 -1.961 -0.567) 8.223 7.669 ( -9.098 -2.376 1.811) 9.576 8.027 ( -2.300 11.922 2.429) 12.382 8.230 ( -3.710 -1.680 -2.160) 4.610 8.443 ( 9.075 -2.832 -0.060) 9.507 8.768 ( 5.558 -4.620 -1.434) 7.368 9.074 ( -2.656 -0.071 -1.680) 3.143 9.176 ( 1.672 -3.228 2.693) 4.524 9.771 ( -3.944 -0.159 -0.563) 3.987 10.123 ( 2.025 -6.815 -4.534) 8.432 10.553 ( -0.789 -12.870 3.676) 13.408 10.609 ( -8.263 12.025 -7.067) 16.212 11.055 ( -2.941 -15.778 -7.132) 17.563 11.370 ( 4.456 11.659 -0.904) 12.514 11.910 ( 7.711 -2.732 -2.782) 8.641 12.397 ( -7.696 1.582 9.701) 12.484 12.714 ( 7.561 5.297 -13.506) 16.360 13.192 ( 2.347 2.448 -1.951) 3.912 13.686 ( 1.256 14.223 -0.228) 14.281 13.982 ( -1.583 -4.703 -5.934) 7.735 14.109 ( 1.838 2.939 -2.452) 4.246 14.242 ( 0.010 -8.821 -5.618) 10.458 14.773 ( -3.977 3.211 10.539) 11.713 15.318 ( -4.724 -13.094 8.752) 16.443 15.440 ( -6.168 -12.687 6.684) 15.611 16.557 ( -0.771 11.783 -2.249) 12.020 16.988 ( -1.603 -4.985 -2.439) 5.777 17.380 ( 3.973 8.207 5.062) 10.429 17.522 ( 5.998 8.256 -5.949) 11.812 18.089 ( -3.519 -8.033 -4.120) 9.689 18.590 ( 1.383 -4.148 -0.288) 4.382 19.011 ( 4.118 -4.003 -5.439) 7.909 20.067 ( 12.778 3.463 -15.412) 20.317 20.556 ( 1.508 1.302 6.014) 6.335 21.313 ( -3.441 11.842 10.205) 16.007 21.776 ( -16.635 -11.092 12.580) 23.622 22.632 ( 3.620 -4.251 -2.729) 6.215 ======================= Grid point 87 (39/165) ======================= q-point: ( 0.50 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( 9.382 7.153 5.949) 13.212 3.180 ( -5.724 -1.215 13.136) 14.380 3.489 ( 0.708 4.046 13.754) 14.354 3.646 ( 14.291 -11.435 -12.343) 22.076 4.052 ( 25.246 12.316 1.721) 28.143 4.335 ( -5.548 -0.844 0.402) 5.626 4.816 ( -4.484 11.559 1.862) 12.537 5.167 ( -4.811 10.643 5.655) 12.977 5.198 ( -1.450 -2.450 4.604) 5.413 5.575 ( 5.582 -3.143 3.070) 7.104 5.858 ( 5.834 -17.376 -2.925) 18.562 6.163 ( 12.434 -13.969 8.506) 20.545 6.194 ( 3.816 12.405 8.200) 15.352 6.569 ( -4.358 7.195 4.520) 9.549 6.655 ( 4.811 -5.239 -5.223) 8.825 6.779 ( -4.389 2.393 -3.075) 5.869 6.950 ( -11.597 14.901 4.057) 19.313 7.541 ( -5.093 -3.229 3.525) 6.985 7.728 ( 7.672 -4.259 1.366) 8.881 7.827 ( -1.573 8.430 1.675) 8.737 8.146 ( -4.649 2.794 0.365) 5.437 8.627 ( 8.138 -4.910 2.466) 9.819 8.873 ( 1.003 -2.442 -2.027) 3.328 9.082 ( 0.594 0.396 -4.012) 4.075 9.273 ( 3.971 -6.743 2.293) 8.155 9.719 ( -8.889 -3.035 -0.906) 9.436 10.263 ( 2.583 -6.087 -5.444) 8.565 10.365 ( -5.198 4.750 -1.343) 7.169 10.723 ( -0.025 -4.338 0.177) 4.341 11.176 ( -0.908 6.755 -2.330) 7.203 11.323 ( -1.137 -16.451 0.090) 16.491 12.004 ( 6.320 2.930 -2.311) 7.339 12.299 ( -7.231 -1.046 7.441) 10.428 12.731 ( 9.497 4.634 -6.178) 12.241 13.131 ( 1.949 9.796 -1.703) 10.132 13.465 ( -0.840 14.539 1.766) 14.670 14.008 ( -1.681 -1.838 -8.346) 8.709 14.098 ( 1.541 -0.038 -0.978) 1.826 14.415 ( 0.090 -12.218 -6.861) 14.013 14.664 ( -6.166 0.947 2.341) 6.663 15.517 ( -5.691 -14.133 -1.736) 15.334 15.603 ( -1.752 -18.667 10.904) 21.689 16.345 ( -0.512 13.601 -0.223) 13.613 17.044 ( 2.319 1.138 -0.385) 2.612 17.208 ( 0.393 13.511 -2.561) 13.757 17.519 ( 3.672 0.656 4.080) 5.528 18.162 ( -2.434 -6.000 -4.461) 7.862 18.699 ( 3.491 -5.229 -2.315) 6.700 19.087 ( 0.060 -2.375 -6.532) 6.951 20.117 ( 9.443 6.616 -11.430) 16.236 20.548 ( 1.332 2.298 10.078) 10.423 21.106 ( -4.538 8.847 15.076) 18.060 21.809 ( -9.616 -12.442 5.793) 16.758 22.745 ( 3.414 -5.170 -5.231) 8.109 ======================= Grid point 88 (40/165) ======================= q-point: (-0.38 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( -1.645 6.084 10.988) 12.667 3.145 ( -1.742 0.425 11.239) 11.381 3.369 ( -5.898 6.847 9.816) 13.343 3.868 ( -0.941 3.923 -10.367) 11.124 4.105 ( 15.835 5.886 0.647) 16.906 4.266 ( 15.451 11.587 -0.057) 19.313 4.586 ( -7.342 8.509 0.623) 11.256 4.893 ( -16.169 7.567 1.763) 17.939 5.299 ( 3.047 -0.855 4.650) 5.625 5.724 ( 14.784 5.811 2.880) 16.144 5.825 ( -3.475 13.959 12.090) 18.791 6.055 ( 0.293 -1.605 -7.733) 7.903 6.280 ( -10.915 -4.983 1.091) 12.048 6.393 ( -8.151 13.782 10.722) 19.270 6.701 ( -2.079 -0.608 -1.299) 2.526 6.848 ( 8.204 -13.995 -3.607) 16.618 7.023 ( 9.244 -11.043 3.143) 14.741 7.582 ( -0.234 -5.405 7.744) 9.447 7.666 ( -0.556 6.328 0.360) 6.362 7.868 ( -0.888 -1.712 -1.360) 2.360 8.193 ( 6.486 -11.982 7.749) 15.674 8.738 ( 4.697 1.522 1.499) 5.159 8.867 ( -0.093 3.626 -3.171) 4.818 8.980 ( -5.243 8.252 -3.898) 10.525 9.435 ( 8.548 -2.326 -2.968) 9.343 9.726 ( -8.929 -12.976 -1.056) 15.787 10.246 ( -5.508 -3.353 4.569) 7.902 10.440 ( 5.485 0.651 -3.016) 6.294 10.642 ( -0.587 5.955 0.330) 5.993 11.095 ( -0.441 3.033 -7.881) 8.456 11.607 ( -4.676 -20.674 5.506) 21.900 11.949 ( 2.143 9.448 1.160) 9.757 12.290 ( -2.793 -5.644 2.754) 6.873 12.783 ( 6.595 2.626 0.957) 7.163 12.930 ( 1.657 18.426 -1.171) 18.538 13.267 ( -2.462 7.048 0.684) 7.497 14.001 ( -0.849 0.116 -7.933) 7.979 14.131 ( 1.056 -1.566 -2.836) 3.407 14.565 ( 0.820 -5.713 -3.428) 6.713 14.662 ( -4.494 -9.844 -4.463) 11.705 15.623 ( -2.716 -9.405 -8.253) 12.804 15.918 ( -0.515 -19.172 7.559) 20.615 16.157 ( 0.818 9.633 4.055) 10.484 16.867 ( 3.013 20.785 -2.010) 21.098 17.159 ( -3.349 -4.920 3.070) 6.697 17.566 ( 3.372 -0.782 3.781) 5.126 18.215 ( -1.230 -4.301 -3.465) 5.658 18.799 ( 3.928 -1.643 -7.599) 8.710 19.068 ( -3.828 1.638 -7.301) 8.405 20.069 ( 6.432 12.038 -9.663) 16.723 20.544 ( 0.251 -0.605 15.550) 15.564 20.955 ( -3.747 5.345 14.875) 16.244 21.918 ( -4.553 -12.297 4.119) 13.745 22.862 ( 3.524 -4.970 -6.960) 9.250 ======================= Grid point 89 (41/165) ======================= q-point: (-0.25 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( -6.833 19.779 16.217) 26.474 3.046 ( -9.998 23.597 -6.690) 26.487 3.189 ( 3.603 3.895 10.329) 11.612 3.626 ( -3.096 3.803 11.929) 12.897 4.252 ( 1.231 0.467 -7.566) 7.679 4.367 ( 13.131 5.526 6.383) 15.611 4.387 ( -5.901 2.630 0.814) 6.511 4.646 ( -3.024 2.441 0.114) 3.888 5.034 ( 8.256 37.913 21.050) 44.144 5.639 ( 5.423 2.540 -0.781) 6.039 5.795 ( -3.559 8.994 5.018) 10.897 6.099 ( -7.545 6.739 8.224) 13.038 6.184 ( -2.167 -10.726 -11.171) 15.637 6.372 ( 3.942 -13.737 -2.106) 14.446 6.745 ( -0.719 -7.817 -0.729) 7.884 7.046 ( 3.135 -3.073 0.562) 4.426 7.272 ( 1.174 -11.595 -5.526) 12.898 7.539 ( -8.137 0.689 1.474) 8.298 7.671 ( 1.470 -0.193 4.098) 4.358 7.887 ( 6.539 0.210 4.249) 7.802 8.491 ( -11.386 -7.845 0.735) 13.847 8.686 ( 3.099 -8.322 3.719) 9.628 8.785 ( 11.872 13.515 -0.261) 17.990 8.891 ( -0.860 -0.859 1.037) 1.598 9.513 ( 8.896 5.749 -8.171) 13.377 9.765 ( -13.495 -4.392 3.037) 14.513 10.242 ( 2.075 8.838 0.079) 9.079 10.352 ( -2.609 -4.006 6.105) 7.754 10.761 ( 2.377 -12.949 -2.222) 13.351 11.013 ( -1.260 6.218 -9.611) 11.516 11.713 ( -8.999 -1.783 9.377) 13.119 11.874 ( 6.220 4.658 0.269) 7.776 12.404 ( -1.939 -10.819 -3.963) 11.684 12.651 ( 2.916 20.002 4.115) 20.628 12.775 ( -1.529 0.375 4.962) 5.205 13.232 ( -0.015 -3.586 -1.765) 3.997 13.982 ( 1.027 1.965 -6.252) 6.633 14.158 ( 0.001 -1.229 -5.305) 5.446 14.620 ( 1.058 0.366 -1.961) 2.258 14.785 ( -1.347 -9.787 -8.458) 13.006 15.761 ( 0.853 -8.695 -10.647) 13.773 15.952 ( 2.532 7.032 9.928) 12.426 16.237 ( -4.341 -10.686 -1.634) 11.649 16.632 ( 1.176 7.985 3.334) 8.732 17.198 ( -0.578 -2.921 5.616) 6.356 17.608 ( -1.656 -2.081 1.997) 3.326 18.271 ( 0.645 -3.899 -2.459) 4.655 18.829 ( 4.173 3.489 -16.824) 17.681 18.947 ( -2.829 7.562 -5.554) 9.800 19.893 ( 2.019 16.776 -7.601) 18.528 20.588 ( -0.678 -3.832 17.150) 17.586 20.872 ( -1.211 1.760 16.654) 16.791 22.062 ( -0.996 -10.099 2.517) 10.455 22.967 ( 1.868 -4.432 -7.459) 8.875 ======================= Grid point 90 (42/165) ======================= q-point: (-0.12 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 3.142 28.888 15.083) 32.740 2.320 ( -6.684 45.217 -2.602) 45.782 3.259 ( 2.703 -3.526 6.398) 7.790 3.730 ( -0.228 -6.983 14.059) 15.699 4.084 ( -6.513 4.838 10.583) 13.336 4.203 ( 4.269 11.230 9.321) 15.206 4.488 ( 10.491 20.187 13.533) 26.471 4.685 ( 12.437 6.226 5.571) 14.983 4.749 ( 9.887 0.197 1.845) 10.060 5.517 ( -9.789 8.028 -2.620) 12.928 5.663 ( 0.064 3.586 -0.439) 3.613 6.058 ( 5.292 -0.710 5.843) 7.916 6.254 ( -5.357 -6.911 -10.005) 13.287 6.662 ( 1.621 -14.908 -2.635) 15.226 6.890 ( -2.586 -10.667 1.445) 11.070 7.069 ( -0.469 0.546 -1.498) 1.662 7.348 ( -1.323 -1.712 -5.818) 6.207 7.444 ( -12.197 -4.201 -1.740) 13.017 7.674 ( -0.677 -0.674 3.778) 3.897 8.029 ( 10.673 -2.615 1.548) 11.097 8.306 ( -11.543 1.272 -2.106) 11.802 8.680 ( 6.420 14.547 -0.200) 15.902 8.863 ( -4.175 -4.982 5.648) 8.611 9.047 ( 0.758 -11.246 8.993) 14.420 9.460 ( 6.275 10.282 -9.300) 15.218 9.569 ( -11.455 5.394 3.811) 13.222 10.138 ( 10.734 8.719 0.799) 13.851 10.490 ( -2.402 -12.542 0.075) 12.770 10.858 ( -4.466 7.266 -7.644) 11.453 10.992 ( 2.466 -9.809 -3.011) 10.553 11.577 ( -1.773 10.326 -0.945) 10.520 11.863 ( 0.854 3.853 8.942) 9.774 12.389 ( 1.989 7.891 3.724) 8.949 12.529 ( -2.574 -1.485 -3.601) 4.668 12.854 ( -0.580 -11.860 3.672) 12.429 13.321 ( 0.224 -7.061 -0.188) 7.067 13.968 ( 2.268 1.791 -4.543) 5.384 14.163 ( -0.885 -0.373 -7.268) 7.331 14.559 ( 0.495 8.179 -4.229) 9.221 14.899 ( -0.489 -5.558 -8.912) 10.514 15.716 ( 3.998 12.950 11.542) 17.802 16.086 ( -5.039 -10.968 -2.144) 12.259 16.175 ( 2.848 1.409 -10.082) 10.571 16.725 ( -4.582 -15.605 5.169) 17.065 17.235 ( 1.551 0.002 6.958) 7.129 17.534 ( -11.893 2.193 -0.033) 12.094 18.350 ( 2.605 -4.097 -2.831) 5.620 18.704 ( -6.702 9.160 -6.923) 13.295 18.919 ( 21.310 7.605 -21.269) 31.053 19.617 ( -1.545 18.790 -6.407) 19.912 20.618 ( -2.844 -1.439 10.967) 11.421 20.922 ( 2.415 -6.743 24.191) 25.229 22.187 ( 0.492 -6.277 1.199) 6.409 23.011 ( -4.409 -2.438 -5.977) 7.817 ======================= Grid point 94 (43/165) ======================= q-point: ( 0.38 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.040 ( 7.501 0.000 -9.017) 11.729 3.157 ( -2.938 -0.000 9.716) 10.151 3.238 ( 13.725 0.000 6.202) 15.061 3.693 ( 13.958 0.000 10.254) 17.320 3.963 ( -9.254 -0.000 8.374) 12.480 4.435 ( 10.509 0.000 6.956) 12.602 5.124 ( 2.938 0.000 -4.525) 5.395 5.151 ( -8.942 -0.000 3.109) 9.467 5.261 ( 38.196 0.000 20.520) 43.359 5.394 ( 7.962 0.000 2.830) 8.450 5.583 ( -1.770 -0.000 -6.145) 6.395 5.936 ( -13.872 -0.000 -6.037) 15.129 6.342 ( -3.242 -0.000 10.918) 11.390 6.554 ( 16.140 0.000 -4.869) 16.859 6.771 ( 1.091 0.000 5.668) 5.772 6.847 ( -3.969 -0.000 -1.511) 4.247 7.352 ( -9.293 -0.000 5.585) 10.842 7.500 ( -15.368 -0.000 4.139) 15.915 7.544 ( 8.156 0.000 -1.400) 8.276 8.136 ( -0.824 -0.000 -0.484) 0.956 8.179 ( -0.442 -0.000 0.881) 0.986 8.516 ( 5.592 0.000 -1.222) 5.724 8.783 ( 2.873 0.000 -3.309) 4.382 8.996 ( -2.339 -0.000 -2.962) 3.774 9.188 ( 1.643 0.000 4.091) 4.409 9.716 ( -5.070 -0.000 -0.926) 5.153 10.125 ( 6.397 0.000 -0.781) 6.444 10.414 ( -2.553 -0.000 5.117) 5.718 10.613 ( -13.964 -0.000 -1.583) 14.053 10.897 ( 4.272 0.000 -11.194) 11.982 11.530 ( 4.359 0.000 -2.760) 5.159 11.959 ( 5.482 0.000 -2.014) 5.840 12.313 ( -8.446 -0.000 10.993) 13.863 12.846 ( 8.648 0.000 -16.998) 19.072 13.232 ( 2.039 0.000 -2.076) 2.910 13.872 ( 1.665 0.000 -15.178) 15.269 13.891 ( 0.022 0.000 10.699) 10.699 14.109 ( -0.109 -0.000 -9.599) 9.600 14.221 ( 1.636 0.000 -0.553) 1.727 14.767 ( -2.788 -0.000 13.966) 14.241 15.128 ( -13.168 -0.000 2.557) 13.414 15.273 ( 0.042 0.000 11.610) 11.610 16.641 ( -3.879 -0.000 -2.367) 4.544 16.881 ( -3.004 -0.000 -4.751) 5.621 17.485 ( 6.904 0.000 8.261) 10.766 17.754 ( 8.645 0.000 -13.569) 16.089 17.936 ( -5.677 -0.000 -2.986) 6.415 18.549 ( -0.065 -0.000 6.214) 6.215 19.063 ( 7.002 0.000 -6.474) 9.536 20.193 ( 5.952 0.000 -8.843) 10.659 20.620 ( 5.930 0.000 4.426) 7.400 21.424 ( -18.762 -0.000 19.193) 26.840 21.441 ( 0.469 0.000 0.862) 0.982 22.637 ( 2.881 0.000 -3.318) 4.395 ======================= Grid point 95 (44/165) ======================= q-point: ( 0.50 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.907 ( -3.972 8.364 7.789) 12.099 3.172 ( 4.771 3.412 1.512) 6.057 3.513 ( 8.313 -11.072 -4.439) 14.539 3.612 ( -5.663 8.396 6.386) 11.973 4.094 ( -7.151 -17.479 1.980) 18.989 4.510 ( 12.124 5.037 7.638) 15.188 5.012 ( 6.674 16.240 3.258) 17.858 5.082 ( -2.231 -2.720 5.420) 6.462 5.345 ( -2.687 14.411 2.116) 14.811 5.572 ( 2.318 -3.322 2.293) 4.655 5.724 ( 0.272 -5.520 -5.524) 7.815 6.038 ( 15.674 -24.484 8.007) 30.154 6.320 ( 1.156 3.534 5.935) 7.003 6.543 ( -11.706 5.695 -10.344) 16.627 6.763 ( -4.049 4.153 -1.454) 5.979 6.847 ( 14.207 2.257 4.946) 15.212 7.169 ( 1.959 17.458 11.923) 21.232 7.338 ( -13.573 -5.845 9.575) 17.609 7.709 ( 5.978 -7.452 -1.078) 9.614 8.000 ( -1.602 13.700 -0.493) 13.802 8.145 ( -0.806 2.573 3.102) 4.110 8.637 ( 5.191 -6.919 0.146) 8.651 8.826 ( 0.308 -2.771 -4.570) 5.354 9.078 ( 4.308 -4.239 -4.100) 7.304 9.213 ( 1.341 -4.285 3.316) 5.582 9.632 ( -5.773 2.908 -0.234) 6.468 10.238 ( 6.214 -3.780 -0.183) 7.276 10.389 ( -8.498 7.177 -0.270) 11.127 10.514 ( -2.542 -15.346 3.697) 15.988 11.036 ( 2.316 -9.582 -8.826) 13.232 11.442 ( 0.965 13.875 -1.979) 14.048 12.059 ( 2.704 -6.093 -2.211) 7.023 12.215 ( -5.437 2.774 9.796) 11.542 12.914 ( 9.176 3.944 -12.299) 15.843 13.240 ( 1.796 2.335 -1.690) 3.396 13.700 ( -1.064 16.147 1.655) 16.266 13.965 ( 0.845 -2.472 -6.732) 7.222 14.132 ( 0.028 0.364 -4.487) 4.502 14.244 ( 0.652 -6.294 -4.115) 7.548 14.656 ( -6.500 5.581 5.203) 10.024 15.175 ( -4.746 -18.422 3.083) 19.272 15.371 ( -1.324 -11.098 11.028) 15.701 16.496 ( -3.670 9.283 -3.052) 10.438 16.925 ( -2.504 -7.537 -3.570) 8.708 17.541 ( 8.501 12.514 1.806) 15.236 17.596 ( -1.060 9.203 -1.646) 9.409 18.041 ( 0.230 -8.894 -6.319) 10.913 18.610 ( 0.341 -6.719 5.666) 8.796 19.126 ( 4.676 1.333 -7.161) 8.656 20.232 ( 2.548 0.626 -5.992) 6.541 20.667 ( 7.065 5.053 6.424) 10.803 21.154 ( -10.541 7.092 14.335) 19.155 21.547 ( -2.784 -10.139 4.418) 11.405 22.696 ( 1.449 -4.299 -4.787) 6.595 ======================= Grid point 96 (45/165) ======================= q-point: (-0.38 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( -4.685 5.909 11.828) 14.028 3.167 ( 2.149 2.535 1.320) 3.576 3.414 ( -5.965 6.740 13.396) 16.139 3.782 ( 5.304 -11.523 -12.150) 17.565 4.149 ( -9.696 -6.547 -3.204) 12.130 4.547 ( -8.171 1.770 -4.264) 9.385 4.776 ( 6.052 21.742 1.662) 22.630 4.901 ( -6.655 18.587 10.040) 22.149 5.307 ( 8.506 -5.326 2.247) 10.284 5.693 ( -0.054 -7.654 7.430) 10.668 5.835 ( 4.215 -9.658 -4.059) 11.293 6.153 ( -11.988 6.935 -8.702) 16.357 6.277 ( 0.924 12.409 2.621) 12.717 6.553 ( -2.596 -3.482 10.089) 10.984 6.645 ( 1.432 -4.336 -0.538) 4.598 6.887 ( 10.479 8.758 11.924) 18.130 7.004 ( 2.059 3.766 4.619) 6.306 7.452 ( 4.370 -11.177 13.634) 18.163 7.766 ( -3.128 10.295 -3.186) 11.222 7.847 ( 2.137 -5.020 -1.167) 5.579 8.129 ( 1.442 0.179 7.701) 7.837 8.723 ( -3.421 -0.273 -3.518) 4.915 8.902 ( 1.515 -3.656 -3.076) 5.013 9.056 ( -1.216 3.845 -4.199) 5.822 9.429 ( 1.642 -13.301 2.622) 13.656 9.546 ( 5.036 2.272 -0.535) 5.551 10.212 ( -3.493 4.766 -0.245) 5.914 10.403 ( 4.496 -7.468 2.379) 9.036 10.705 ( -1.007 -6.790 -2.858) 7.436 11.152 ( -0.080 4.857 -4.588) 6.682 11.284 ( -2.323 -7.891 -1.493) 8.360 12.098 ( -0.764 7.369 8.296) 11.122 12.178 ( -0.530 -6.612 -1.067) 6.719 12.936 ( 6.845 5.765 -4.219) 9.894 13.170 ( 0.959 10.548 -1.029) 10.641 13.396 ( -5.177 15.236 1.143) 16.132 13.997 ( 1.752 -0.590 -8.194) 8.400 14.131 ( 1.269 -0.274 -0.748) 1.498 14.408 ( -0.037 -13.206 -7.545) 15.210 14.555 ( -1.690 0.130 0.855) 1.899 15.407 ( -3.151 -15.267 -3.201) 15.914 15.595 ( -0.259 -19.007 9.631) 21.310 16.314 ( -1.625 10.024 -0.163) 10.156 17.018 ( -1.505 -7.866 -2.343) 8.345 17.238 ( 0.144 23.053 -3.581) 23.330 17.599 ( 1.412 1.086 5.986) 6.245 18.150 ( 1.633 -4.782 -3.821) 6.335 18.732 ( 0.325 -7.472 -0.180) 7.482 19.120 ( 1.746 3.786 -7.114) 8.246 20.227 ( 0.791 3.007 -7.722) 8.324 20.635 ( 4.776 8.196 12.017) 15.310 20.973 ( -6.582 4.125 13.207) 15.323 21.701 ( 0.150 -11.948 4.870) 12.903 22.788 ( 0.016 -6.530 -6.148) 8.969 ======================= Grid point 97 (46/165) ======================= q-point: (-0.25 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( -0.838 8.345 14.571) 16.812 3.138 ( -1.895 2.646 -0.837) 3.361 3.300 ( 1.199 3.384 12.246) 12.762 3.810 ( -4.210 19.240 -3.534) 20.009 4.168 ( 0.738 -4.097 -7.972) 8.993 4.278 ( -12.092 -4.045 -8.465) 15.305 4.385 ( -24.623 10.154 5.399) 27.176 4.863 ( 18.808 6.223 7.801) 21.292 5.435 ( 4.335 -0.742 1.467) 4.636 5.681 ( -11.738 1.929 9.535) 15.245 5.938 ( -0.630 11.164 0.439) 11.190 6.048 ( 5.459 -0.758 -1.086) 5.618 6.205 ( 6.502 -1.929 -5.248) 8.576 6.347 ( 1.195 11.486 13.126) 17.483 6.698 ( 1.285 -0.847 -1.357) 2.052 7.013 ( -4.129 -5.006 3.606) 7.424 7.084 ( 7.025 -8.818 5.199) 12.415 7.512 ( -2.657 4.438 2.121) 5.590 7.699 ( 1.605 1.129 3.252) 3.798 7.999 ( 11.873 -2.781 6.057) 13.616 8.148 ( -13.682 -10.332 5.248) 17.930 8.617 ( -6.439 1.352 -3.122) 7.283 8.849 ( -3.874 1.628 -0.854) 4.288 9.095 ( 9.290 2.233 -2.042) 9.770 9.478 ( -9.999 -6.514 2.278) 12.149 9.744 ( 14.667 -0.885 -4.411) 15.342 10.149 ( -2.106 -1.807 1.530) 3.169 10.565 ( 4.582 4.843 -0.098) 6.668 10.627 ( 0.223 0.624 1.208) 1.378 11.061 ( -1.713 3.009 -11.779) 12.277 11.483 ( -4.585 -14.760 3.222) 15.788 12.010 ( 2.596 4.096 5.718) 7.498 12.258 ( -0.346 -5.683 0.481) 5.714 12.847 ( -1.972 10.713 2.497) 11.175 12.950 ( -0.766 14.915 -0.298) 14.938 13.222 ( 0.085 3.705 -1.136) 3.876 14.026 ( 3.086 0.310 -7.109) 7.756 14.145 ( 0.202 -0.052 -2.460) 2.469 14.590 ( -1.081 -7.549 -3.575) 8.422 14.625 ( 4.748 -8.898 -5.281) 11.385 15.585 ( 0.034 -12.227 -8.130) 14.683 15.882 ( -3.760 -19.224 4.734) 20.152 16.159 ( 0.272 9.320 4.707) 10.445 16.883 ( -2.008 20.235 -1.108) 20.365 17.133 ( 2.097 -6.075 0.639) 6.458 17.570 ( -3.910 1.335 4.906) 6.414 18.238 ( 3.204 -3.645 -1.892) 5.209 18.806 ( -2.674 -2.515 -5.747) 6.819 19.081 ( 4.997 3.798 -8.314) 10.417 20.113 ( -2.352 11.177 -10.928) 15.807 20.587 ( 2.016 3.166 18.659) 19.033 20.879 ( -2.954 1.449 12.982) 13.392 21.908 ( 3.385 -11.495 3.841) 12.583 22.874 ( -2.388 -6.300 -6.586) 9.422 ======================= Grid point 98 (47/165) ======================= q-point: (-0.12 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 10.280 17.757 9.398) 22.568 2.862 ( -3.964 31.652 -9.557) 33.300 3.340 ( 6.774 3.696 9.656) 12.361 3.567 ( -1.004 -10.027 13.632) 16.952 3.933 ( -21.898 7.547 9.857) 25.172 4.234 ( 0.055 -2.594 -7.528) 7.963 4.413 ( -3.511 -15.669 -3.410) 16.415 5.021 ( 16.954 2.463 4.153) 17.629 5.367 ( -1.617 14.792 11.937) 19.076 5.500 ( -2.893 3.894 -2.779) 5.590 5.721 ( 5.189 21.522 17.426) 28.175 6.082 ( -0.789 -2.703 -7.050) 7.592 6.202 ( 8.694 3.921 0.953) 9.585 6.468 ( -1.421 -12.328 0.567) 12.423 6.757 ( -1.845 -4.427 -3.318) 5.832 7.042 ( -1.007 -2.864 -0.143) 3.040 7.220 ( -0.283 -4.816 0.125) 4.826 7.423 ( -0.787 3.558 2.397) 4.361 7.671 ( -1.012 1.612 4.486) 4.873 7.930 ( -17.870 -0.616 -4.428) 18.421 8.268 ( 8.674 -1.720 4.218) 9.797 8.614 ( -7.900 -9.272 8.076) 14.615 8.848 ( -0.869 -4.977 2.845) 5.798 9.132 ( 10.149 8.932 1.346) 13.587 9.411 ( -12.157 -1.583 1.846) 12.398 9.802 ( 11.203 11.453 -9.434) 18.592 10.239 ( -1.690 -11.458 -1.315) 11.657 10.382 ( 3.759 10.450 6.050) 12.647 10.829 ( 2.824 -10.308 -2.826) 11.055 10.943 ( -3.158 6.458 -12.251) 14.205 11.567 ( -2.933 -4.400 2.553) 5.872 12.003 ( 3.920 5.787 6.387) 9.468 12.377 ( 0.028 -8.028 -3.303) 8.681 12.658 ( -3.059 10.865 4.545) 12.168 12.745 ( 0.015 4.747 1.838) 5.090 13.234 ( 0.392 -3.362 -0.230) 3.393 14.043 ( 3.561 2.652 -5.530) 7.092 14.142 ( -0.934 -0.526 -5.226) 5.335 14.632 ( -0.289 0.884 -3.607) 3.725 14.820 ( 4.489 -7.189 -7.792) 11.513 15.777 ( 1.194 -10.400 -8.083) 13.225 16.021 ( 0.213 1.566 10.285) 10.405 16.072 ( -5.841 -5.379 -2.856) 8.439 16.631 ( -1.125 7.676 1.736) 7.950 17.240 ( 2.385 -2.814 2.956) 4.727 17.469 ( -6.640 2.627 5.736) 9.159 18.343 ( 5.408 -3.451 -2.222) 6.789 18.716 ( -7.861 4.617 -4.894) 10.347 19.172 ( 14.637 -0.648 -15.663) 21.447 19.840 ( -6.017 16.134 -9.130) 19.490 20.586 ( -0.595 0.178 16.487) 16.498 20.880 ( 0.546 -2.984 16.518) 16.794 22.107 ( 4.168 -7.572 2.201) 8.920 22.898 ( -6.232 -3.375 -5.713) 9.103 ======================= Grid point 103 (48/165) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( -7.599 -0.000 5.529) 9.397 3.307 ( 6.080 0.000 -6.161) 8.656 3.450 ( -7.993 -0.000 -6.282) 10.166 3.632 ( -2.164 -0.000 5.808) 6.198 3.800 ( -10.896 -0.000 5.321) 12.126 4.555 ( -4.305 -0.000 5.001) 6.599 5.073 ( 9.645 0.000 14.801) 17.667 5.313 ( 0.794 0.000 -1.906) 2.064 5.485 ( -0.583 -0.000 3.297) 3.349 5.573 ( 2.487 0.000 6.055) 6.546 5.674 ( 5.389 0.000 -4.116) 6.781 5.910 ( 1.732 0.000 3.144) 3.589 6.386 ( 3.057 0.000 7.048) 7.682 6.441 ( -11.679 -0.000 -11.110) 16.119 6.746 ( -4.062 -0.000 -2.152) 4.597 6.891 ( -13.062 -0.000 -2.178) 13.242 7.220 ( 9.761 0.000 13.029) 16.280 7.413 ( 9.326 0.000 15.824) 18.368 7.666 ( -0.810 -0.000 -1.866) 2.034 8.128 ( -1.592 -0.000 -2.808) 3.227 8.199 ( 5.058 0.000 6.284) 8.067 8.587 ( 3.400 0.000 3.895) 5.170 8.805 ( -0.586 -0.000 -4.903) 4.937 9.137 ( 8.590 0.000 -1.378) 8.700 9.160 ( -3.201 -0.000 1.526) 3.546 9.635 ( 1.954 0.000 0.418) 1.998 10.265 ( 0.519 0.000 2.928) 2.973 10.349 ( -6.377 -0.000 -1.088) 6.469 10.358 ( 1.180 0.000 4.356) 4.513 11.020 ( 5.784 0.000 -10.988) 12.417 11.582 ( -0.023 -0.000 -4.191) 4.191 11.955 ( -4.157 -0.000 1.504) 4.420 12.233 ( 0.773 0.000 8.396) 8.432 13.039 ( 7.543 0.000 -13.187) 15.192 13.272 ( 1.609 0.000 -1.927) 2.510 13.863 ( -3.978 -0.000 10.920) 11.622 13.937 ( 4.281 0.000 -12.022) 12.762 14.068 ( -2.358 -0.000 -12.062) 12.290 14.267 ( 1.963 0.000 1.011) 2.208 14.596 ( -10.210 -0.000 -0.125) 10.210 15.002 ( 2.890 0.000 8.363) 8.848 15.263 ( -1.715 -0.000 11.112) 11.243 16.517 ( -4.538 -0.000 -7.180) 8.494 16.845 ( 0.114 0.000 -3.677) 3.679 17.598 ( -3.491 -0.000 5.199) 6.262 17.869 ( 1.686 0.000 -11.725) 11.845 17.883 ( 5.329 0.000 0.581) 5.360 18.563 ( 0.892 0.000 9.693) 9.734 19.179 ( 1.990 0.000 -7.772) 8.023 20.239 ( -0.507 -0.000 -4.572) 4.600 20.819 ( 9.606 0.000 8.300) 12.695 21.065 ( -12.116 -0.000 12.374) 17.318 21.477 ( 2.255 0.000 3.648) 4.289 22.662 ( -0.650 -0.000 -4.971) 5.014 ======================= Grid point 104 (49/165) ======================= q-point: (-0.38 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( -10.097 4.875 2.499) 11.488 3.212 ( -8.995 1.705 0.683) 9.181 3.410 ( -0.718 -1.276 3.215) 3.533 3.672 ( -10.011 -9.534 1.627) 13.920 3.808 ( 0.080 -8.998 -7.246) 11.553 4.459 ( -11.230 1.403 3.586) 11.871 5.013 ( -8.621 21.576 -1.126) 23.262 5.237 ( 7.739 8.073 12.626) 16.866 5.422 ( 5.796 10.412 -0.905) 11.951 5.558 ( -3.761 -6.500 6.866) 10.176 5.747 ( 0.074 -5.720 -1.065) 5.818 6.083 ( -0.585 -9.342 -6.622) 11.465 6.263 ( -23.353 -9.535 7.960) 26.450 6.413 ( 0.633 3.426 6.067) 6.996 6.634 ( 1.236 3.209 -4.253) 5.469 6.874 ( 3.463 -4.892 3.452) 6.917 7.321 ( 5.317 9.078 4.979) 11.639 7.492 ( 14.845 -0.831 14.450) 20.733 7.718 ( -3.530 -8.321 1.871) 9.231 7.957 ( -0.205 16.332 -1.740) 16.426 8.228 ( 5.018 4.401 6.957) 9.641 8.685 ( -0.409 -0.460 0.113) 0.626 8.814 ( -1.746 -5.415 -3.355) 6.605 9.076 ( -2.713 4.153 -2.699) 5.648 9.258 ( -2.496 -7.476 4.846) 9.252 9.712 ( 12.985 0.942 2.059) 13.181 10.277 ( 2.754 4.803 -5.017) 7.472 10.327 ( -0.962 -9.002 4.936) 10.311 10.491 ( 1.857 -11.969 1.837) 12.251 11.112 ( 3.277 -4.891 -10.170) 11.751 11.417 ( -2.180 15.763 -2.395) 16.093 12.012 ( -2.168 -8.459 0.328) 8.738 12.218 ( 1.321 3.688 8.392) 9.261 13.082 ( 4.872 3.579 -8.138) 10.138 13.276 ( 1.449 2.559 -1.091) 3.136 13.588 ( -8.314 19.538 2.575) 21.389 14.023 ( 4.090 -0.634 -7.453) 8.525 14.104 ( -1.819 -6.060 -7.824) 10.062 14.270 ( 1.606 -2.325 -0.018) 2.826 14.546 ( -1.044 -2.039 -0.986) 2.494 15.142 ( 0.703 -11.839 3.528) 12.373 15.363 ( 0.025 -13.087 10.448) 16.746 16.419 ( -1.653 6.406 -6.332) 9.158 16.903 ( 1.018 -5.935 -4.237) 7.362 17.461 ( -8.714 9.052 1.073) 12.611 17.701 ( 2.473 11.276 -0.434) 11.552 18.088 ( 3.608 -7.538 -2.334) 8.677 18.635 ( 1.821 -5.834 6.326) 8.796 19.163 ( -1.567 1.455 -7.319) 7.625 20.224 ( -2.347 -0.223 -7.206) 7.581 20.864 ( 8.224 9.316 11.966) 17.251 20.934 ( -7.538 1.603 10.090) 12.696 21.577 ( 3.861 -8.057 5.260) 10.368 22.680 ( -2.486 -4.771 -5.630) 7.787 ======================= Grid point 105 (50/165) ======================= q-point: (-0.25 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( -8.722 -4.983 8.444) 13.123 3.140 ( -2.059 1.029 3.149) 3.900 3.379 ( -0.490 4.323 8.982) 9.980 3.734 ( -20.491 -23.047 -6.454) 31.507 3.958 ( 6.648 0.208 -9.729) 11.785 4.224 ( -15.068 6.134 3.886) 16.726 4.482 ( -9.794 29.670 -6.785) 31.973 5.076 ( 0.285 7.079 10.588) 12.740 5.464 ( 2.152 -1.802 -2.372) 3.675 5.565 ( -6.909 0.656 10.721) 12.772 5.869 ( -7.553 -12.528 6.115) 15.855 5.985 ( -13.295 -3.337 -7.061) 15.419 6.339 ( -1.894 0.756 8.543) 8.783 6.363 ( 8.575 -2.645 1.612) 9.118 6.682 ( 4.854 -2.300 -6.513) 8.442 7.027 ( 7.233 -1.456 9.740) 12.219 7.212 ( 5.926 9.937 4.082) 12.269 7.674 ( 5.851 9.620 7.485) 13.521 7.744 ( 2.951 1.061 4.387) 5.392 7.813 ( -2.531 -8.825 8.071) 12.224 8.195 ( 5.417 7.505 2.746) 9.655 8.563 ( -8.743 3.614 -2.730) 9.847 8.828 ( -5.978 1.112 -1.353) 6.229 9.040 ( -1.898 -6.093 -4.510) 7.815 9.324 ( -3.763 -5.407 5.614) 8.655 9.861 ( 7.318 -2.363 3.355) 8.390 10.260 ( 11.031 9.152 -7.138) 16.013 10.487 ( 2.759 -10.150 4.362) 11.387 10.696 ( 0.915 -8.029 -2.440) 8.442 11.141 ( -1.385 13.937 -3.723) 14.492 11.251 ( 0.700 -10.582 -6.880) 12.641 12.069 ( 0.006 0.566 5.508) 5.537 12.198 ( -0.167 -1.519 4.168) 4.439 13.022 ( 0.449 11.557 1.540) 11.668 13.111 ( -5.473 14.692 -1.024) 15.712 13.308 ( -0.851 5.316 -2.778) 6.059 14.059 ( 2.989 0.128 -6.832) 7.459 14.148 ( 0.189 -0.986 -2.888) 3.058 14.409 ( 0.646 -11.841 -4.897) 12.830 14.618 ( 6.596 -3.495 -1.005) 7.532 15.356 ( -1.176 -16.327 -2.611) 16.576 15.596 ( 0.164 -14.635 6.315) 15.940 16.303 ( 1.402 7.887 -1.001) 8.073 17.006 ( -1.115 -2.744 -3.200) 4.361 17.180 ( -3.251 12.205 0.061) 12.631 17.571 ( -3.774 5.587 3.575) 7.631 18.219 ( 3.929 -4.949 -0.684) 6.356 18.729 ( -1.436 -3.403 -0.372) 3.713 19.136 ( 1.070 -1.062 -6.715) 6.882 20.157 ( -6.074 3.291 -13.979) 15.593 20.761 ( 4.321 12.634 18.558) 22.862 20.856 ( -3.908 0.337 10.500) 11.209 21.804 ( 7.863 -11.312 5.126) 14.699 22.728 ( -4.377 -6.691 -6.174) 10.102 ======================= Grid point 106 (51/165) ======================= q-point: (-0.12 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( 6.504 -7.590 11.312) 15.095 3.090 ( -2.905 5.256 -2.253) 6.414 3.319 ( -2.224 -1.336 7.502) 7.938 3.649 ( -10.383 11.714 8.718) 17.918 3.796 ( -18.460 7.454 0.012) 19.908 4.086 ( -3.872 -10.598 -3.668) 11.865 4.242 ( 5.730 0.200 -10.055) 11.575 5.087 ( 1.195 -4.008 6.491) 7.721 5.352 ( -15.049 4.071 4.291) 16.169 5.511 ( 2.489 1.946 4.134) 5.203 5.857 ( -19.408 -13.537 4.838) 24.152 6.065 ( 5.648 -4.495 -5.689) 9.191 6.314 ( 2.315 1.736 8.175) 8.672 6.437 ( 4.542 4.825 4.592) 8.062 6.810 ( 13.146 2.166 -4.881) 14.189 7.032 ( 0.309 4.351 3.163) 5.389 7.210 ( 6.139 0.172 2.219) 6.530 7.486 ( -6.085 8.223 2.868) 10.624 7.741 ( -1.400 10.402 10.439) 14.803 7.819 ( -1.133 3.440 -1.603) 3.960 8.333 ( 12.479 -13.146 10.503) 20.949 8.430 ( -7.102 3.832 -1.943) 8.300 8.748 ( -6.245 -3.242 0.855) 7.088 9.142 ( -6.324 -11.194 -4.663) 13.676 9.320 ( -1.240 1.865 5.849) 6.263 9.958 ( 0.245 -5.361 0.877) 5.438 10.212 ( 7.831 11.421 -6.976) 15.506 10.643 ( 3.019 13.806 4.303) 14.773 10.710 ( 5.362 -10.903 0.826) 12.178 10.995 ( -2.753 5.035 -14.244) 15.357 11.433 ( 0.605 -10.595 -2.129) 10.824 12.066 ( 0.992 -0.500 8.774) 8.844 12.258 ( 0.101 -6.649 2.373) 7.060 12.742 ( -4.770 12.371 0.985) 13.296 12.919 ( -1.362 11.982 0.343) 12.064 13.249 ( 1.025 3.143 -0.335) 3.322 14.093 ( 1.673 -1.001 -6.373) 6.665 14.137 ( -0.108 1.876 -4.148) 4.554 14.570 ( -0.321 -7.773 -4.098) 8.793 14.794 ( 8.445 -5.887 -4.506) 11.237 15.592 ( -0.029 -15.400 -6.039) 16.542 15.779 ( -2.728 -10.618 -0.869) 10.997 16.224 ( 5.382 7.790 7.183) 11.885 16.777 ( -6.563 14.215 -0.672) 15.671 17.211 ( 2.359 -4.490 1.358) 5.251 17.449 ( -4.201 2.946 6.286) 8.115 18.353 ( 6.314 -4.877 -1.388) 8.098 18.671 ( -7.717 2.571 -3.797) 8.976 19.253 ( 8.890 -6.049 -9.803) 14.550 19.937 ( -11.415 10.604 -17.139) 23.162 20.651 ( 1.595 7.143 22.407) 23.572 20.843 ( -1.118 -2.274 12.378) 12.635 22.067 ( 8.907 -8.001 3.476) 12.468 22.759 ( -5.618 -5.267 -6.329) 9.968 ======================= Grid point 112 (52/165) ======================= q-point: (-0.38 -0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( -16.276 -0.000 -12.241) 20.365 2.879 ( -30.235 -0.000 -0.076) 30.235 3.422 ( -4.414 -0.000 10.007) 10.937 3.458 ( -0.951 -0.000 7.119) 7.182 3.895 ( 14.462 0.000 -5.117) 15.340 4.330 ( -12.417 -0.000 3.488) 12.897 5.161 ( -4.538 -0.000 -4.979) 6.737 5.354 ( -15.410 -0.000 3.454) 15.792 5.385 ( -18.270 -0.000 12.296) 22.022 5.460 ( 0.381 0.000 8.305) 8.313 5.720 ( 7.195 0.000 3.634) 8.061 5.838 ( -30.788 -0.000 -5.844) 31.337 6.038 ( 13.494 0.000 1.830) 13.617 6.449 ( 2.881 0.000 10.847) 11.223 6.718 ( 4.110 0.000 -5.418) 6.800 6.931 ( 12.628 0.000 5.046) 13.599 7.424 ( 0.787 0.000 0.938) 1.224 7.522 ( -8.212 -0.000 -1.099) 8.286 7.697 ( 12.474 0.000 10.647) 16.400 8.072 ( -5.033 -0.000 -4.093) 6.487 8.322 ( 4.903 0.000 5.754) 7.560 8.720 ( -6.883 -0.000 -7.255) 10.000 8.777 ( 8.497 0.000 11.458) 14.264 9.087 ( -2.795 -0.000 -1.206) 3.044 9.163 ( -0.762 -0.000 5.475) 5.528 9.827 ( 4.852 0.000 4.345) 6.513 10.169 ( -4.770 -0.000 4.830) 6.788 10.449 ( 2.703 0.000 4.534) 5.279 10.459 ( 19.453 0.000 -10.678) 22.191 11.100 ( 1.235 0.000 -8.642) 8.729 11.529 ( -3.771 -0.000 -3.695) 5.279 11.922 ( 1.819 0.000 -1.581) 2.410 12.262 ( 0.461 0.000 11.951) 11.960 13.140 ( 1.554 0.000 -7.710) 7.866 13.314 ( 1.964 0.000 -3.617) 4.116 13.700 ( -9.174 -0.000 10.587) 14.009 13.961 ( -2.568 -0.000 -16.784) 16.979 14.066 ( 4.078 0.000 -7.522) 8.557 14.309 ( 1.367 0.000 3.426) 3.689 14.479 ( 1.219 0.000 -0.935) 1.536 15.149 ( 7.072 0.000 6.879) 9.866 15.212 ( -3.028 -0.000 9.324) 9.803 16.458 ( 0.396 0.000 -10.065) 10.072 16.877 ( 2.881 0.000 -4.242) 5.127 17.394 ( -11.180 -0.000 4.357) 11.999 17.817 ( -5.158 -0.000 -9.408) 10.729 18.062 ( 6.252 0.000 3.833) 7.333 18.629 ( 4.286 0.000 8.208) 9.260 19.123 ( -5.646 -0.000 -6.509) 8.616 20.179 ( -4.335 -0.000 -11.734) 12.509 20.864 ( -5.916 -0.000 9.244) 10.975 21.081 ( 11.535 0.000 13.793) 17.980 21.548 ( 3.204 0.000 5.830) 6.652 22.598 ( -4.239 -0.000 -5.322) 6.804 ======================= Grid point 113 (53/165) ======================= q-point: (-0.25 -0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( -23.846 -2.843 1.855) 24.087 2.781 ( -29.909 -25.623 -11.239) 40.956 3.361 ( 0.370 3.276 18.779) 19.066 3.508 ( 5.363 0.811 2.709) 6.063 4.073 ( 9.613 -1.893 -4.161) 10.645 4.144 ( -9.863 7.235 2.978) 12.589 4.818 ( -9.933 26.914 -10.033) 30.392 4.898 ( -41.070 -8.208 16.833) 45.138 5.362 ( -5.815 -4.889 0.114) 7.598 5.496 ( -11.324 3.864 16.016) 19.992 5.627 ( -0.650 -3.943 -6.522) 7.649 5.846 ( 4.156 -5.840 -0.212) 7.171 6.237 ( 4.337 -8.253 0.315) 9.329 6.504 ( 5.910 0.757 7.879) 9.878 6.779 ( 11.953 2.268 -4.916) 13.121 7.119 ( 11.513 -2.106 12.252) 16.944 7.332 ( -2.056 4.434 -5.138) 7.091 7.531 ( -5.341 -8.479 4.073) 10.817 7.811 ( 3.189 2.315 5.531) 6.791 7.981 ( -0.136 2.178 2.286) 3.160 8.367 ( 7.853 3.923 2.858) 9.232 8.514 ( -12.410 7.677 -2.823) 14.864 8.815 ( 0.940 4.481 7.137) 8.479 8.984 ( -6.909 3.340 -3.311) 8.358 9.246 ( 4.710 -2.660 4.542) 7.063 9.857 ( -1.493 -1.762 2.511) 3.411 10.286 ( -0.632 -16.783 4.798) 17.467 10.508 ( 3.497 -3.556 1.756) 5.287 10.671 ( 19.904 6.206 -8.792) 22.628 11.147 ( 1.213 -5.383 -9.337) 10.845 11.353 ( -3.090 13.755 -2.349) 14.292 12.017 ( 1.652 -6.572 -2.621) 7.266 12.233 ( -0.612 4.480 14.099) 14.806 13.130 ( 0.158 2.475 -4.652) 5.271 13.308 ( 1.291 5.646 1.338) 5.945 13.377 ( -7.923 18.733 -0.378) 20.343 14.034 ( -2.580 -7.900 -11.511) 14.198 14.122 ( 3.848 -1.258 -6.972) 8.062 14.318 ( 2.029 -1.615 4.071) 4.827 14.617 ( 6.432 -8.176 1.348) 10.490 15.161 ( 0.114 -5.364 2.316) 5.844 15.401 ( 2.494 -14.381 7.947) 16.619 16.430 ( 3.165 5.042 -6.822) 9.054 16.950 ( 2.270 -3.459 -4.507) 6.118 17.227 ( -9.782 4.392 3.638) 11.323 17.648 ( -5.762 9.209 -4.149) 11.628 18.178 ( 3.594 -5.711 1.599) 6.934 18.696 ( 1.661 -0.447 3.509) 3.908 19.075 ( -3.699 -4.153 -4.773) 7.329 20.094 ( -8.697 1.214 -20.460) 22.265 20.809 ( -4.136 -0.387 8.318) 9.298 21.062 ( 7.025 16.674 20.076) 27.026 21.730 ( 8.952 -13.132 6.405) 17.135 22.576 ( -5.464 -4.706 -5.471) 9.052 ======================= Grid point 114 (54/165) ======================= q-point: (-0.12 -0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( -11.325 -27.601 16.009) 33.857 2.822 ( -31.400 -26.160 -10.447) 42.183 3.333 ( 6.490 7.358 11.074) 14.795 3.530 ( 0.937 3.331 9.010) 9.651 3.887 ( -11.354 2.475 9.297) 14.882 4.082 ( -2.724 15.694 -8.025) 17.836 4.404 ( 5.770 11.080 -8.420) 15.065 4.731 ( -32.653 -24.396 12.625) 42.671 5.224 ( -12.026 4.109 3.575) 13.201 5.429 ( -2.383 -1.318 5.309) 5.966 5.674 ( 1.003 -1.816 3.668) 4.214 5.972 ( 0.943 -7.190 -6.776) 9.925 6.385 ( 5.665 -4.046 2.218) 7.306 6.538 ( 5.283 4.503 2.868) 7.511 6.904 ( 6.761 -1.158 -0.762) 6.901 7.155 ( 4.823 7.204 -2.352) 8.983 7.313 ( 1.039 1.574 2.234) 2.924 7.562 ( -0.241 5.772 8.522) 10.296 7.786 ( -1.160 0.693 1.704) 2.175 7.991 ( 3.356 0.295 6.400) 7.232 8.253 ( -2.484 0.578 4.002) 4.746 8.508 ( 7.904 0.048 -1.966) 8.145 8.654 ( -6.753 7.596 3.987) 10.918 8.908 ( -8.583 -6.346 -1.303) 10.754 9.318 ( 2.906 -0.521 3.766) 4.785 9.852 ( -4.838 -3.086 0.952) 5.817 10.504 ( 4.279 1.928 -0.296) 4.703 10.594 ( 4.895 -4.196 -1.125) 6.545 10.765 ( 4.845 -2.338 -3.470) 6.402 11.095 ( -1.753 12.769 -3.806) 13.439 11.296 ( 3.242 -8.862 -9.074) 13.091 12.105 ( 2.019 2.183 4.309) 5.235 12.152 ( -4.211 -2.767 10.216) 11.391 12.947 ( -4.158 20.941 3.824) 21.689 13.055 ( -0.523 7.237 -1.208) 7.356 13.296 ( -0.183 1.877 -3.162) 3.682 14.068 ( -1.867 -1.507 -6.353) 6.791 14.169 ( 2.052 0.447 -6.975) 7.285 14.425 ( 0.556 -9.328 -1.346) 9.441 14.827 ( 10.088 -5.170 -0.455) 11.344 15.326 ( -1.764 -15.342 -1.205) 15.490 15.651 ( 5.142 -11.159 1.722) 12.407 16.411 ( 8.623 5.602 1.498) 10.392 16.861 ( -9.760 9.736 -1.176) 13.836 17.170 ( 1.098 -3.588 1.563) 4.065 17.465 ( -4.104 5.044 1.558) 6.687 18.329 ( 5.173 -7.404 -0.504) 9.047 18.632 ( -5.941 4.015 -2.187) 7.496 19.199 ( 4.138 -10.531 -4.901) 12.330 19.883 ( -16.755 5.688 -28.360) 33.427 20.789 ( -2.733 -1.452 9.105) 9.617 20.863 ( 2.723 14.997 28.284) 32.130 22.070 ( 13.512 -10.012 4.964) 17.535 22.600 ( -4.708 -7.101 -6.694) 10.835 ======================= Grid point 121 (55/165) ======================= q-point: (-0.25 -0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( -33.775 -0.000 -6.044) 34.311 2.071 ( -36.939 -0.000 5.583) 37.358 3.471 ( 8.841 0.000 11.407) 14.432 3.605 ( 8.560 0.000 6.988) 11.050 4.060 ( -4.560 -0.000 7.990) 9.199 4.124 ( -61.939 -0.000 29.714) 68.697 4.272 ( 11.997 0.000 -10.634) 16.032 5.080 ( -2.981 -0.000 -6.147) 6.832 5.094 ( -14.773 -0.000 -7.095) 16.388 5.305 ( -14.976 -0.000 -1.420) 15.043 5.754 ( 10.695 0.000 7.455) 13.036 5.820 ( -0.939 -0.000 5.003) 5.091 6.244 ( 8.381 0.000 -5.010) 9.764 6.579 ( 6.329 0.000 7.520) 9.828 6.972 ( 15.117 0.000 0.397) 15.122 7.217 ( 7.649 0.000 8.674) 11.565 7.380 ( 0.117 0.000 3.196) 3.198 7.387 ( -0.973 -0.000 -1.089) 1.460 7.872 ( -10.232 -0.000 -2.953) 10.649 7.881 ( 1.948 0.000 5.307) 5.653 8.393 ( -3.883 -0.000 6.182) 7.301 8.475 ( -12.421 -0.000 -8.311) 14.945 8.868 ( 6.084 0.000 7.599) 9.734 8.961 ( -9.044 -0.000 -3.660) 9.756 9.386 ( 15.032 0.000 6.436) 16.352 9.801 ( -5.030 -0.000 -0.418) 5.047 10.111 ( -0.195 -0.000 4.560) 4.564 10.469 ( -1.133 -0.000 3.899) 4.060 11.036 ( 22.968 0.000 -13.822) 26.806 11.094 ( -0.419 -0.000 -7.813) 7.824 11.421 ( -4.592 -0.000 -2.250) 5.114 11.969 ( 0.505 0.000 -0.320) 0.597 12.281 ( 0.530 0.000 14.927) 14.936 13.132 ( -1.157 -0.000 -4.954) 5.087 13.330 ( -0.783 -0.000 -8.918) 8.952 13.556 ( -1.571 -0.000 14.988) 15.070 13.898 ( -0.729 -0.000 -18.210) 18.224 14.149 ( 2.916 0.000 -8.119) 8.627 14.334 ( 0.300 0.000 5.628) 5.636 14.615 ( 9.423 0.000 8.564) 12.734 15.148 ( -2.592 -0.000 7.071) 7.531 15.284 ( 3.172 0.000 5.056) 5.969 16.503 ( 3.105 0.000 -7.773) 8.370 16.978 ( 5.884 0.000 -5.270) 7.899 17.132 ( -9.946 -0.000 4.654) 10.981 17.628 ( -9.516 -0.000 -8.676) 12.877 18.168 ( 3.183 0.000 2.969) 4.353 18.751 ( 4.308 0.000 4.887) 6.515 18.953 ( -7.157 -0.000 -4.334) 8.366 19.958 ( -15.176 -0.000 -32.208) 35.604 20.759 ( -3.901 -0.000 7.830) 8.747 21.416 ( 16.396 0.000 25.329) 30.172 21.627 ( 2.663 0.000 6.239) 6.784 22.469 ( -5.664 -0.000 -4.211) 7.058 ======================= Grid point 122 (56/165) ======================= q-point: (-0.12 -0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( -21.185 -23.404 19.778) 37.252 1.929 ( -36.981 -30.805 -0.433) 48.132 3.383 ( -47.300 -6.422 17.677) 50.902 3.579 ( -2.981 1.625 17.953) 18.271 3.716 ( 14.912 6.282 13.411) 21.017 4.150 ( -4.299 -12.795 6.997) 15.204 4.303 ( 0.299 12.300 -8.595) 15.009 4.660 ( 0.347 16.663 -8.237) 18.591 5.126 ( -11.646 2.065 3.236) 12.262 5.294 ( -5.654 -15.022 -2.809) 16.295 5.697 ( -0.531 5.873 1.334) 6.046 5.923 ( 3.274 -3.923 3.060) 5.955 6.388 ( 7.534 -4.182 -3.906) 9.460 6.653 ( 6.488 0.869 4.879) 8.165 7.045 ( 7.128 9.252 4.129) 12.388 7.288 ( -1.676 0.187 -4.831) 5.117 7.358 ( 9.971 3.832 0.126) 10.682 7.581 ( 8.808 -9.951 12.090) 17.966 7.763 ( -3.245 -1.658 3.523) 5.069 7.900 ( -4.320 -2.377 2.584) 5.566 8.211 ( -10.419 4.252 -2.040) 11.437 8.473 ( -4.249 -13.451 0.255) 14.109 8.720 ( -13.777 11.985 -5.586) 19.096 8.934 ( 10.941 7.409 9.075) 16.030 9.449 ( 9.177 8.856 2.319) 12.963 9.742 ( -7.654 -2.001 -1.651) 8.082 10.319 ( 2.311 -18.891 2.701) 19.223 10.512 ( -1.711 -8.235 2.597) 8.802 11.001 ( 3.664 14.142 -9.572) 17.466 11.206 ( 1.623 2.914 -15.786) 16.134 11.282 ( -1.139 5.494 -0.825) 5.671 12.012 ( -3.066 -5.748 4.654) 8.006 12.241 ( 0.962 7.055 13.148) 14.952 13.110 ( -1.203 1.420 -2.830) 3.387 13.238 ( -4.097 16.728 -4.263) 17.742 13.356 ( 2.911 10.913 6.531) 13.047 13.984 ( -0.443 -6.790 -12.916) 14.599 14.186 ( 1.909 -0.780 -8.226) 8.481 14.353 ( 0.187 -1.406 5.340) 5.525 14.839 ( 11.627 -9.743 9.173) 17.727 15.146 ( -1.643 -4.171 -1.885) 4.863 15.509 ( 8.012 -18.661 8.730) 22.106 16.555 ( 7.309 -2.120 -1.424) 7.742 16.902 ( -5.399 10.609 -1.459) 11.993 17.131 ( 2.223 -4.022 1.144) 4.736 17.469 ( -7.993 3.561 -6.512) 10.908 18.263 ( 3.342 -6.922 0.688) 7.717 18.668 ( -3.562 8.515 -0.585) 9.249 19.037 ( 0.207 -13.575 -2.153) 13.747 19.671 ( -28.217 2.118 -43.897) 52.227 20.731 ( -3.045 -1.470 8.393) 9.048 21.225 ( 4.971 25.638 29.372) 39.303 22.050 ( 18.709 -20.011 8.951) 28.820 22.439 ( -4.805 -5.202 -4.621) 8.456 ======================= Grid point 130 (57/165) ======================= q-point: (-0.12 -0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -29.917 -0.000 26.396) 39.897 1.258 ( -23.656 -0.000 27.831) 36.527 2.549 ( -66.638 -0.000 40.046) 77.745 3.642 ( 2.536 0.000 3.272) 4.139 4.066 ( 4.977 0.000 4.496) 6.707 4.076 ( 26.514 0.000 11.613) 28.946 4.394 ( -4.199 -0.000 -6.672) 7.884 4.801 ( -3.439 -0.000 -0.693) 3.508 5.014 ( -11.406 -0.000 2.674) 11.715 5.095 ( 7.058 0.000 -7.340) 10.183 5.696 ( -8.605 -0.000 4.098) 9.531 5.944 ( 4.915 0.000 4.575) 6.715 6.429 ( 3.161 0.000 -1.590) 3.538 6.747 ( 9.290 0.000 1.109) 9.356 7.243 ( -0.654 -0.000 1.113) 1.291 7.323 ( 13.368 0.000 -1.535) 13.456 7.521 ( 6.422 0.000 -9.107) 11.144 7.596 ( 14.615 0.000 22.736) 27.028 7.690 ( 1.691 0.000 8.506) 8.673 7.868 ( -0.741 -0.000 7.706) 7.742 8.154 ( -12.672 -0.000 -8.072) 15.024 8.186 ( -9.026 -0.000 4.143) 9.931 8.643 ( -16.716 -0.000 -3.049) 16.992 9.141 ( 12.671 0.000 1.227) 12.730 9.611 ( -9.906 -0.000 -6.194) 11.684 9.708 ( 9.092 0.000 3.242) 9.652 10.136 ( 1.141 0.000 -0.550) 1.267 10.419 ( -2.613 -0.000 4.623) 5.310 11.077 ( -0.698 -0.000 -9.348) 9.374 11.251 ( -12.733 -0.000 -32.737) 35.127 11.309 ( -3.827 -0.000 -0.088) 3.828 11.914 ( -5.052 -0.000 8.555) 9.935 12.323 ( 2.286 0.000 12.682) 12.886 13.098 ( -1.193 -0.000 -4.852) 4.997 13.290 ( -1.532 -0.000 -10.229) 10.343 13.649 ( 6.103 0.000 14.336) 15.581 13.902 ( 1.950 0.000 -18.174) 18.279 14.181 ( 0.325 0.000 -10.842) 10.847 14.327 ( -1.313 -0.000 5.778) 5.925 14.980 ( 20.814 0.000 13.637) 24.884 15.115 ( -0.436 -0.000 6.053) 6.069 15.367 ( 9.715 0.000 20.431) 22.623 16.535 ( -1.000 -0.000 -1.433) 1.747 17.006 ( 0.369 0.000 4.801) 4.815 17.130 ( 6.067 0.000 -4.809) 7.742 17.356 ( -13.356 -0.000 -13.169) 18.757 18.238 ( 2.516 0.000 1.176) 2.777 18.803 ( -0.474 -0.000 0.284) 0.552 18.811 ( -4.096 -0.000 -2.939) 5.042 19.186 ( -53.069 -0.000 -57.036) 77.906 20.689 ( -2.594 -0.000 7.843) 8.260 21.664 ( -0.288 -0.000 3.415) 3.427 22.018 ( 36.114 0.000 38.287) 52.632 22.356 ( -2.970 -0.000 -1.056) 3.153 ======================= Grid point 131 (58/165) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -26.591 -0.000 44.303) 51.671 2.064 ( 15.357 0.000 44.874) 47.430 2.653 ( 16.652 0.000 37.322) 40.868 3.711 ( -7.721 -0.000 19.079) 20.582 4.067 ( -8.980 -0.000 -3.760) 9.735 4.287 ( 8.377 0.000 -0.673) 8.404 4.429 ( 6.060 0.000 6.054) 8.566 4.674 ( -9.117 -0.000 -2.184) 9.375 5.144 ( 10.386 0.000 -9.611) 14.151 5.311 ( 12.836 0.000 3.933) 13.425 5.459 ( -12.025 -0.000 -2.642) 12.312 6.035 ( 4.107 0.000 -7.198) 8.287 6.372 ( -5.020 -0.000 -1.711) 5.303 6.903 ( 2.316 0.000 -2.090) 3.120 7.223 ( -11.499 -0.000 -9.933) 15.195 7.275 ( -4.127 -0.000 1.035) 4.255 7.553 ( 16.235 0.000 -8.053) 18.123 7.659 ( -2.122 -0.000 -3.777) 4.332 7.833 ( 4.101 0.000 -9.327) 10.189 8.041 ( -3.151 -0.000 -1.419) 3.456 8.251 ( 10.816 0.000 13.726) 17.476 8.335 ( -5.469 -0.000 8.808) 10.368 8.946 ( -1.746 -0.000 3.819) 4.199 9.166 ( -4.811 -0.000 0.452) 4.832 9.326 ( 4.750 0.000 -3.763) 6.060 9.495 ( -0.917 -0.000 2.735) 2.885 9.892 ( -4.549 -0.000 -13.365) 14.118 10.309 ( -18.758 -0.000 10.256) 21.379 10.603 ( 1.790 0.000 8.228) 8.421 10.832 ( -2.070 -0.000 -6.115) 6.456 11.334 ( -0.417 -0.000 7.059) 7.072 11.984 ( -5.400 -0.000 8.288) 9.892 12.647 ( 1.638 0.000 6.205) 6.417 12.727 ( -11.511 -0.000 -13.652) 17.857 13.093 ( -1.036 -0.000 -2.991) 3.166 13.585 ( 2.221 0.000 -12.831) 13.022 13.792 ( -0.596 -0.000 -20.747) 20.755 13.949 ( 3.203 0.000 6.197) 6.975 14.403 ( -4.665 -0.000 8.160) 9.399 15.277 ( 11.826 0.000 1.966) 11.988 15.305 ( 2.373 0.000 9.267) 9.566 16.117 ( -11.622 -0.000 4.753) 12.556 16.512 ( -0.882 -0.000 1.168) 1.463 16.539 ( -2.007 -0.000 -13.182) 13.334 17.387 ( 14.051 0.000 12.581) 18.860 17.569 ( -11.294 -0.000 5.109) 12.396 17.869 ( 21.922 0.000 -2.155) 22.028 18.266 ( -0.660 -0.000 -0.656) 0.931 18.591 ( -9.794 -0.000 -7.946) 12.612 18.695 ( 0.657 0.000 -4.335) 4.385 20.791 ( -3.268 -0.000 8.827) 9.413 21.575 ( -5.048 -0.000 -3.150) 5.950 22.414 ( 2.246 0.000 4.664) 5.176 23.005 ( 9.709 0.000 -3.119) 10.197 ======================= Grid point 132 (59/165) ======================= q-point: ( 0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -14.238 -16.574 37.158) 43.105 2.127 ( 22.947 13.592 39.144) 47.366 3.283 ( 16.931 -27.432 14.287) 35.260 3.646 ( 3.416 -0.332 24.570) 24.809 4.080 ( -2.908 -15.048 11.803) 19.344 4.324 ( -4.330 4.376 4.250) 7.481 4.418 ( 0.922 -0.944 2.519) 2.843 4.683 ( 10.662 -0.752 1.106) 10.746 5.192 ( 2.026 5.750 -7.548) 9.702 5.285 ( -0.830 5.506 0.854) 5.634 5.462 ( 4.100 -4.306 -1.464) 6.123 6.117 ( 4.256 -1.973 -7.113) 8.520 6.296 ( -6.652 1.130 -1.695) 6.957 6.887 ( -1.962 3.534 -3.417) 5.293 7.002 ( -9.901 6.454 -10.209) 15.618 7.197 ( -9.096 -0.733 4.161) 10.029 7.521 ( -0.316 13.035 -3.692) 13.551 7.723 ( 0.703 0.003 -2.172) 2.283 7.772 ( 2.864 14.593 1.764) 14.976 8.041 ( 7.945 -0.516 -6.409) 10.221 8.269 ( 4.469 -0.209 7.904) 9.082 8.356 ( 9.471 0.400 9.655) 13.531 8.890 ( -27.381 -9.057 2.456) 28.944 8.969 ( -7.217 -7.877 2.981) 11.091 9.363 ( -1.710 0.644 -2.851) 3.386 9.726 ( 10.877 3.591 -1.928) 11.616 9.961 ( 6.700 -2.493 -4.736) 8.575 10.234 ( -0.307 -13.844 -1.050) 13.887 10.652 ( -1.702 -2.326 1.028) 3.060 10.920 ( 0.153 -14.069 0.119) 14.070 11.317 ( 0.759 2.359 8.283) 8.646 11.946 ( -7.263 -4.367 9.126) 12.454 12.525 ( -10.497 7.202 -11.360) 17.062 12.634 ( 1.771 4.436 2.044) 5.196 13.080 ( 0.815 0.595 0.060) 1.011 13.523 ( 0.611 8.053 -9.541) 12.500 13.807 ( 1.428 -1.943 -17.534) 17.699 14.001 ( 2.618 0.340 0.953) 2.807 14.317 ( -4.255 1.157 5.852) 7.327 15.088 ( 2.063 16.913 6.456) 18.220 15.598 ( 7.419 -12.965 7.543) 16.734 15.933 ( -10.952 -5.058 9.780) 15.530 16.414 ( 0.739 11.090 -10.495) 15.287 16.837 ( -1.590 -22.542 -8.083) 24.000 17.289 ( -17.111 9.978 -0.483) 19.814 17.563 ( 11.505 -0.883 14.421) 18.469 18.268 ( 24.309 -1.913 -3.578) 24.646 18.341 ( 5.244 -8.071 -4.617) 10.675 18.424 ( 0.942 3.670 -7.053) 8.006 18.861 ( 0.381 -15.585 -8.424) 17.720 20.772 ( -2.482 -1.517 9.527) 9.961 21.496 ( -3.723 2.966 0.191) 4.764 22.409 ( 1.840 4.110 4.737) 6.535 22.986 ( -5.900 3.382 -3.219) 7.524 ======================= Grid point 133 (60/165) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 4.486 -17.940 21.479) 28.343 2.324 ( 20.853 -3.648 28.511) 35.511 3.505 ( 1.823 -3.941 10.765) 11.608 3.727 ( -4.872 -1.740 -0.475) 5.196 4.122 ( -10.925 2.437 6.255) 12.822 4.409 ( 2.830 6.184 -3.290) 7.555 4.807 ( 27.631 -37.159 33.739) 57.294 4.901 ( 14.830 -7.705 3.594) 17.094 5.055 ( -0.192 9.997 7.369) 12.421 5.238 ( 3.518 1.971 -8.564) 9.466 5.591 ( 1.436 -7.020 4.071) 8.241 6.107 ( -6.121 5.103 -7.028) 10.625 6.210 ( -1.385 -0.711 0.424) 1.614 6.739 ( -1.579 10.333 -9.320) 14.005 6.875 ( -8.526 -2.784 -2.179) 9.230 7.032 ( -10.671 9.377 2.191) 14.373 7.288 ( -1.374 6.136 -1.232) 6.407 7.606 ( 4.882 11.921 11.163) 17.045 7.697 ( -0.244 1.536 -2.897) 3.288 8.143 ( 0.820 2.972 0.675) 3.156 8.357 ( 1.654 -1.784 8.975) 9.299 8.550 ( 9.725 -9.923 1.194) 13.945 8.771 ( -15.418 -9.736 -0.544) 18.242 9.073 ( 2.962 -8.361 0.968) 8.923 9.324 ( -6.686 -2.858 -0.497) 7.288 9.623 ( -0.119 8.002 1.084) 8.076 10.121 ( 7.845 -5.563 -5.617) 11.138 10.422 ( -2.782 -3.111 -7.132) 8.263 10.647 ( 0.620 -1.417 -3.116) 3.479 11.118 ( 1.911 1.076 5.352) 5.784 11.346 ( 0.327 -11.194 1.119) 11.254 11.950 ( -6.527 -6.580 8.731) 12.733 12.341 ( -3.464 2.201 -7.393) 8.455 12.586 ( 1.710 3.802 1.096) 4.311 13.060 ( 1.605 6.173 3.873) 7.462 13.386 ( -0.155 8.262 -7.631) 11.248 13.843 ( 1.032 -1.581 -15.199) 15.316 13.981 ( 2.469 4.120 -2.966) 5.645 14.358 ( -1.318 -8.979 0.801) 9.111 14.893 ( 0.408 10.412 3.176) 10.894 15.800 ( -1.821 -6.330 -1.246) 6.704 15.994 ( -0.969 -10.114 13.804) 17.140 16.227 ( 2.525 14.160 -8.236) 16.574 16.931 ( -10.023 13.521 0.633) 16.843 17.076 ( -3.211 -14.151 -3.372) 14.898 17.669 ( 5.723 1.118 14.200) 15.351 18.335 ( -0.453 0.099 -6.373) 6.390 18.390 ( -3.952 -7.432 -3.407) 9.081 18.757 ( 24.674 -3.095 -12.661) 27.905 19.132 ( 2.970 -16.398 -11.282) 20.125 20.787 ( -1.411 -2.968 11.754) 12.204 21.405 ( -1.947 4.671 6.419) 8.174 22.348 ( 0.816 5.561 5.366) 7.771 22.838 ( -10.528 1.401 -3.657) 11.233 ======================= Grid point 134 (61/165) ======================= q-point: ( 0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 10.046 -12.274 7.727) 17.643 2.727 ( 17.385 -15.605 18.508) 29.804 3.615 ( 1.062 -6.395 11.376) 13.093 3.662 ( -3.210 2.561 -3.114) 5.154 3.962 ( -7.833 3.926 8.844) 12.449 4.284 ( -1.220 10.208 -5.631) 11.721 4.788 ( 3.247 21.543 12.152) 24.946 5.118 ( -2.172 -7.962 -4.026) 9.183 5.321 ( 3.384 -3.212 8.028) 9.286 5.479 ( 8.587 -3.913 1.425) 9.543 5.903 ( 13.852 -22.568 18.212) 32.138 5.963 ( 0.404 2.689 -7.614) 8.085 6.294 ( 6.407 -11.708 7.519) 15.319 6.580 ( 0.862 7.719 -5.303) 9.405 6.730 ( -12.669 5.959 4.874) 14.824 6.877 ( -6.847 -4.665 -4.610) 9.481 7.303 ( 7.287 0.918 1.049) 7.419 7.497 ( -2.706 4.767 5.194) 7.551 7.714 ( 2.930 -2.053 1.415) 3.847 7.874 ( -13.774 15.331 8.558) 22.316 8.374 ( -5.989 -2.274 7.572) 9.918 8.697 ( 3.173 -2.420 0.046) 3.991 8.946 ( 1.015 -15.539 -5.028) 16.364 9.143 ( 0.542 3.889 5.429) 6.700 9.295 ( -8.469 -4.724 2.500) 10.015 9.679 ( 14.649 -4.622 -3.600) 15.777 10.238 ( -0.848 5.374 -6.995) 8.861 10.344 ( -5.439 -10.018 -4.235) 12.161 10.689 ( 1.963 1.052 0.256) 2.242 10.952 ( -0.782 14.879 -1.704) 14.997 11.551 ( 0.766 -8.279 -0.738) 8.347 12.033 ( -2.747 -12.497 5.658) 13.990 12.363 ( 3.166 -1.871 -0.975) 3.805 12.582 ( -0.439 -2.674 -0.808) 2.828 12.914 ( 0.670 12.864 5.283) 13.922 13.290 ( 0.600 5.116 -4.077) 6.570 13.874 ( 0.368 -2.249 -13.439) 13.631 13.955 ( 1.757 2.903 -8.061) 8.746 14.490 ( -0.551 -8.733 -1.787) 8.931 14.787 ( 0.718 4.650 -0.591) 4.742 15.758 ( -8.579 1.452 -8.037) 11.845 15.993 ( 5.600 15.294 -5.713) 17.259 16.230 ( -1.233 -13.536 16.444) 21.334 16.692 ( -1.289 8.667 2.589) 9.137 17.214 ( -0.958 -7.561 0.921) 7.677 17.686 ( 1.922 3.080 11.876) 12.419 18.353 ( -1.389 -3.196 -6.151) 7.069 18.435 ( -1.553 -3.465 -3.285) 5.021 18.999 ( 11.032 -2.209 -14.662) 18.481 19.365 ( 2.694 -8.919 -11.690) 14.948 20.839 ( -0.377 -4.667 14.632) 15.362 21.317 ( -0.449 5.195 11.944) 13.033 22.289 ( 0.927 3.169 5.181) 6.143 22.706 ( -8.315 1.051 -6.510) 10.613 ======================= Grid point 135 (62/165) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( 2.462 -8.659 -3.382) 9.616 3.159 ( 17.226 -10.980 13.816) 24.661 3.505 ( -4.930 11.334 -6.932) 14.171 3.715 ( -4.056 -6.893 11.310) 13.852 3.855 ( -1.040 3.191 18.883) 19.179 4.072 ( -4.543 11.944 -9.060) 15.665 4.539 ( 9.680 18.168 14.387) 25.115 5.112 ( -11.590 -4.100 -2.134) 12.478 5.305 ( -2.117 0.271 8.053) 8.331 5.634 ( 3.078 -2.202 5.490) 6.668 5.984 ( 3.534 4.470 2.648) 6.284 6.071 ( -0.628 1.350 -1.412) 2.052 6.442 ( 2.560 2.465 -2.087) 4.122 6.490 ( -7.420 5.707 3.741) 10.081 6.823 ( -2.553 -10.198 0.317) 10.517 6.903 ( 6.963 -10.768 6.726) 14.480 7.287 ( -11.946 -2.175 3.769) 12.714 7.468 ( 1.141 0.662 -6.116) 6.256 7.510 ( 1.906 4.629 6.440) 8.158 7.943 ( 7.070 -10.887 8.036) 15.267 8.324 ( -7.588 -3.767 8.221) 11.805 8.773 ( 4.727 0.199 1.191) 4.878 8.915 ( -2.501 9.781 8.210) 13.012 9.077 ( -9.927 4.890 -4.054) 11.785 9.355 ( 1.102 -8.497 3.802) 9.373 9.933 ( 10.495 -7.258 -2.895) 13.085 10.107 ( -2.307 5.810 -5.880) 8.582 10.558 ( 0.366 -16.615 -2.857) 16.862 10.633 ( -0.498 2.277 3.297) 4.037 10.786 ( 3.250 8.311 -11.540) 14.588 11.588 ( 1.303 4.158 3.193) 5.402 12.208 ( -0.869 -8.102 0.608) 8.171 12.419 ( 3.096 -3.245 3.631) 5.771 12.564 ( -1.107 7.544 -1.457) 7.763 12.841 ( 0.228 -5.999 7.285) 9.440 13.223 ( -0.625 3.311 -4.240) 5.416 13.896 ( -2.196 -1.596 -12.908) 13.191 13.925 ( 1.802 2.309 -12.782) 13.114 14.590 ( -0.164 -3.937 0.685) 4.000 14.748 ( 1.575 2.363 -5.050) 5.794 15.631 ( -4.996 1.237 -9.694) 10.975 15.830 ( 4.144 13.197 0.106) 13.833 16.441 ( 0.510 -13.022 13.261) 18.592 16.607 ( 0.402 3.218 3.869) 5.048 17.291 ( 1.093 -2.553 3.986) 4.858 17.638 ( 0.155 5.084 7.871) 9.372 18.367 ( -6.108 -4.756 -6.683) 10.227 18.466 ( 3.602 1.226 -2.035) 4.315 19.085 ( -0.761 -1.722 -16.346) 16.454 19.438 ( 0.525 1.281 -11.104) 11.190 20.924 ( -0.687 -5.657 14.830) 15.887 21.259 ( 1.286 2.979 17.354) 17.654 22.285 ( 1.952 -0.019 4.709) 5.097 22.598 ( -3.482 3.350 -8.886) 10.115 ======================= Grid point 136 (63/165) ======================= q-point: (-0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -14.161 14.734 -10.469) 22.962 3.212 ( -0.190 14.011 15.748) 21.080 3.519 ( 5.470 0.445 16.183) 17.088 3.625 ( -1.558 -0.458 11.977) 12.086 3.919 ( 3.677 -2.069 7.322) 8.450 3.965 ( 5.208 -3.985 -8.655) 10.859 4.477 ( 6.671 5.848 10.804) 13.980 5.027 ( -14.510 -2.218 2.646) 14.915 5.175 ( -8.935 18.271 19.509) 28.183 5.505 ( -9.679 2.099 7.269) 12.286 5.792 ( -5.505 15.554 -8.279) 18.460 6.066 ( 3.911 -3.176 15.890) 16.670 6.403 ( 2.660 3.398 -11.676) 12.448 6.590 ( 6.739 -7.628 3.167) 10.660 6.788 ( -4.883 -3.236 -7.100) 9.204 7.034 ( -3.533 -6.053 1.286) 7.125 7.281 ( -3.000 -8.307 1.379) 8.939 7.555 ( -0.327 -3.912 -5.166) 6.488 7.662 ( 11.242 -9.381 5.360) 15.592 8.041 ( -4.322 2.228 -3.568) 6.031 8.293 ( -8.438 -0.200 5.183) 9.904 8.710 ( -1.559 12.738 9.869) 16.189 8.884 ( 10.336 -2.355 6.695) 12.538 8.895 ( -6.039 -0.168 2.816) 6.666 9.459 ( 0.689 -3.556 8.585) 9.318 9.899 ( -3.100 13.762 -0.582) 14.119 10.207 ( 2.184 -15.867 -8.485) 18.126 10.610 ( 3.449 1.422 -14.027) 14.515 10.683 ( -0.691 7.091 -4.973) 8.689 10.890 ( 2.208 -17.923 5.292) 18.818 11.467 ( 2.949 14.821 1.998) 15.243 12.227 ( 1.385 2.664 -2.392) 3.839 12.408 ( -2.597 3.698 12.633) 13.417 12.604 ( -1.385 -13.810 0.944) 13.912 12.988 ( 1.423 -8.261 3.943) 9.264 13.187 ( -0.908 -1.051 -7.444) 7.573 13.854 ( -2.517 1.633 -12.552) 12.905 13.924 ( 0.816 -0.189 -15.560) 15.582 14.565 ( -0.186 6.220 3.560) 7.169 14.778 ( 1.525 -4.132 -7.705) 8.875 15.626 ( 5.114 2.108 -7.447) 9.277 15.693 ( 1.766 7.342 6.354) 9.869 16.544 ( -8.950 -5.861 -1.445) 10.796 16.686 ( 9.469 -6.355 13.838) 17.932 17.328 ( 3.658 1.431 6.329) 7.449 17.544 ( 0.356 8.094 2.522) 8.486 18.367 ( -5.913 -5.693 -5.866) 10.089 18.456 ( 1.094 4.424 -2.533) 5.214 19.000 ( -14.312 1.103 -18.516) 23.429 19.349 ( 1.168 10.177 -9.500) 13.971 20.964 ( -3.162 -1.088 10.653) 11.166 21.310 ( 3.257 -5.488 22.638) 23.520 22.322 ( -0.517 -2.366 3.037) 3.884 22.531 ( 6.457 6.087 -7.872) 11.862 ======================= Grid point 137 (64/165) ======================= q-point: (-0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( -15.713 20.139 8.159) 26.815 2.856 ( -6.375 26.635 33.279) 43.100 3.417 ( -3.343 10.812 5.149) 12.433 3.772 ( -3.698 -4.473 9.166) 10.849 3.986 ( 2.914 -5.894 -0.041) 6.575 4.164 ( 7.603 -5.255 13.181) 16.099 4.466 ( -1.896 8.508 7.112) 11.250 4.609 ( -7.815 5.749 23.886) 25.781 5.015 ( -4.375 -0.999 1.721) 4.806 5.383 ( -5.602 15.360 -6.576) 17.622 5.565 ( -2.990 -2.303 -3.956) 5.467 6.135 ( 0.048 1.207 9.853) 9.927 6.412 ( 7.643 3.709 -7.196) 11.134 6.787 ( -0.094 -17.816 3.174) 18.097 6.833 ( 1.687 -2.412 -1.736) 3.417 7.159 ( 1.976 -8.975 -7.845) 12.083 7.363 ( 0.172 -0.754 0.341) 0.845 7.594 ( -3.801 -7.475 -2.482) 8.745 7.824 ( 6.344 7.185 -10.780) 14.425 7.916 ( -5.017 -4.558 5.422) 8.680 8.252 ( -10.074 -10.130 2.409) 14.488 8.472 ( -2.961 13.848 7.789) 16.162 8.821 ( 4.917 7.933 7.621) 12.050 9.119 ( 8.653 -6.120 4.711) 11.599 9.494 ( 2.944 2.244 10.540) 11.171 9.664 ( -8.733 7.061 -2.224) 11.448 10.389 ( -10.411 -11.799 -14.748) 21.566 10.484 ( -0.419 13.102 -9.237) 16.036 10.668 ( 2.318 -1.703 -1.150) 3.098 11.087 ( -0.436 -0.759 4.036) 4.129 11.281 ( 3.152 8.025 1.902) 8.829 12.168 ( 1.913 7.349 -0.878) 7.644 12.439 ( -2.818 -9.922 16.123) 19.140 12.780 ( -5.856 -13.884 -4.275) 15.664 13.054 ( -1.397 -1.017 -0.018) 1.728 13.280 ( 4.601 -8.114 -5.360) 10.758 13.796 ( -0.267 2.346 -11.889) 12.121 13.938 ( 0.797 -1.081 -15.271) 15.330 14.463 ( -2.215 3.966 4.644) 6.497 14.878 ( 1.634 -6.594 -5.808) 8.938 15.514 ( 6.899 15.768 10.239) 20.027 15.777 ( 6.325 -4.656 -1.918) 8.085 16.533 ( -11.681 -9.709 -3.984) 15.703 16.928 ( 14.730 -5.709 10.390) 18.908 17.341 ( 3.810 6.065 6.178) 9.459 17.399 ( 6.768 14.113 -2.184) 15.804 18.327 ( -14.074 3.716 -6.237) 15.837 18.399 ( -4.653 -6.378 -5.392) 9.560 18.704 ( -18.014 8.303 -13.959) 24.254 19.169 ( 0.114 13.974 -7.814) 16.011 20.912 ( -4.023 1.816 9.517) 10.491 21.478 ( 0.927 -10.064 16.991) 19.770 22.331 ( -2.214 -2.019 0.367) 3.018 22.594 ( 17.217 4.144 -1.154) 17.746 ======================= Grid point 138 (65/165) ======================= q-point: (-0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -0.215 -2.285 36.618) 36.690 2.369 ( -14.323 21.336 41.510) 48.820 2.962 ( -10.436 30.618 23.702) 40.102 3.746 ( -10.718 -7.364 16.834) 21.272 4.140 ( 6.155 -3.145 -1.182) 7.012 4.234 ( -0.164 3.535 11.520) 12.051 4.355 ( 4.268 2.307 1.350) 5.036 4.711 ( -2.002 -8.427 -2.674) 9.065 5.032 ( 6.181 -0.161 2.236) 6.575 5.166 ( 5.791 5.189 -2.544) 8.181 5.568 ( -7.566 -3.042 -3.638) 8.929 6.066 ( -1.134 4.871 -0.797) 5.064 6.419 ( -0.220 1.515 -1.442) 2.104 6.871 ( 3.758 0.929 0.350) 3.886 7.149 ( 3.172 -21.096 -2.774) 21.513 7.275 ( 1.416 -4.484 -8.152) 9.411 7.324 ( 2.041 0.280 -2.533) 3.265 7.716 ( 2.448 -1.661 -3.349) 4.469 7.804 ( 2.069 0.915 -10.038) 10.289 7.958 ( -2.936 -9.901 6.532) 12.219 8.227 ( -4.833 6.501 8.224) 11.543 8.340 ( -7.209 -8.142 3.347) 11.378 8.826 ( 20.662 9.651 18.727) 29.509 9.223 ( 6.350 6.245 -4.309) 9.894 9.408 ( -10.216 4.081 -5.159) 12.151 9.537 ( -7.290 -5.702 2.850) 9.684 10.178 ( -6.704 18.420 -17.821) 26.492 10.407 ( -14.215 -10.384 3.643) 17.976 10.682 ( -2.630 3.190 2.533) 4.849 10.938 ( -0.942 10.869 -4.143) 11.670 11.311 ( -0.417 -3.299 6.591) 7.382 12.069 ( -2.022 5.244 4.811) 7.398 12.575 ( 0.004 -7.498 10.657) 13.030 12.828 ( -10.444 -5.114 -12.349) 16.963 13.073 ( 0.070 -2.991 -0.889) 3.121 13.475 ( 3.650 -9.366 -8.331) 13.056 13.783 ( 1.906 -0.039 -12.796) 12.937 13.949 ( 1.720 1.662 -7.498) 7.870 14.420 ( -4.286 -2.664 7.055) 8.675 15.025 ( 3.333 -10.206 -0.958) 10.779 15.385 ( 7.818 12.351 11.340) 18.501 15.943 ( 9.146 -6.497 1.961) 11.389 16.552 ( -8.852 -8.206 -7.467) 14.194 17.006 ( -8.377 29.769 -9.812) 32.445 17.200 ( 17.952 -1.094 9.125) 20.167 17.448 ( 19.282 4.912 11.099) 22.784 17.990 ( -34.355 -3.680 -8.286) 35.531 18.353 ( -1.645 7.810 -3.965) 8.912 18.540 ( -4.624 -6.816 -2.698) 8.667 18.920 ( -3.432 15.293 -6.963) 17.151 20.841 ( -3.832 1.433 9.116) 9.992 21.593 ( -3.792 -5.690 2.940) 7.444 22.364 ( 1.266 -2.700 3.948) 4.948 22.796 ( 20.114 -0.500 1.070) 20.148 ======================= Grid point 140 (66/165) ======================= q-point: ( 0.12 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 10.726 0.000 27.142) 29.185 2.642 ( 26.262 0.000 33.539) 42.598 3.262 ( 17.762 0.000 7.275) 19.194 3.781 ( 19.660 0.000 43.766) 47.979 3.894 ( -3.167 -0.000 3.557) 4.763 4.192 ( -16.585 -0.000 12.966) 21.052 4.475 ( 5.587 0.000 -3.015) 6.349 4.824 ( 13.734 0.000 -0.376) 13.739 5.175 ( -8.883 -0.000 -5.735) 10.573 5.345 ( 5.015 0.000 -5.886) 7.733 5.545 ( 10.876 0.000 -0.535) 10.889 6.143 ( 0.302 0.000 -7.250) 7.256 6.232 ( -5.760 -0.000 -3.611) 6.798 6.880 ( -7.336 -0.000 -2.304) 7.689 6.928 ( -5.423 -0.000 -11.346) 12.575 7.035 ( -12.247 -0.000 8.809) 15.086 7.649 ( -11.068 -0.000 -1.732) 11.203 7.654 ( 1.308 0.000 -3.012) 3.284 8.020 ( -1.442 -0.000 -7.032) 7.178 8.025 ( 13.124 0.000 5.184) 14.111 8.397 ( 11.061 0.000 5.700) 12.443 8.468 ( -22.908 -0.000 14.536) 27.131 8.646 ( 17.356 0.000 1.503) 17.421 8.653 ( -14.674 -0.000 8.587) 17.002 9.328 ( -5.372 -0.000 -4.836) 7.228 9.842 ( 1.435 0.000 -12.762) 12.843 10.016 ( -7.495 -0.000 3.870) 8.435 10.254 ( 29.111 0.000 -9.238) 30.541 10.601 ( -2.945 -0.000 1.780) 3.441 10.792 ( -0.530 -0.000 3.196) 3.239 11.363 ( 2.370 0.000 7.440) 7.808 11.838 ( -5.412 -0.000 7.567) 9.303 12.461 ( -7.929 -0.000 -13.235) 15.429 12.688 ( 0.225 0.000 0.322) 0.392 13.084 ( 0.633 0.000 -2.693) 2.766 13.577 ( -1.599 -0.000 -14.798) 14.884 13.812 ( 3.197 0.000 -13.914) 14.276 14.014 ( 1.602 0.000 5.601) 5.826 14.296 ( -4.300 -0.000 5.703) 7.142 15.393 ( 3.901 0.000 10.311) 11.024 15.450 ( -3.392 -0.000 8.049) 8.735 15.662 ( -10.606 -0.000 17.967) 20.864 16.541 ( 3.269 0.000 1.234) 3.495 16.725 ( 8.906 0.000 -21.958) 23.696 17.223 ( -9.698 -0.000 -4.634) 10.748 17.678 ( 6.180 0.000 17.256) 18.330 18.167 ( -7.994 -0.000 -2.247) 8.304 18.435 ( 0.446 0.000 -9.854) 9.865 18.668 ( 17.006 0.000 -6.490) 18.202 18.825 ( 23.957 0.000 -10.262) 26.062 20.740 ( -1.534 -0.000 9.946) 10.064 21.475 ( -2.844 -0.000 -2.346) 3.687 22.470 ( 2.084 0.000 2.333) 3.128 22.852 ( -18.909 -0.000 3.494) 19.229 ======================= Grid point 141 (67/165) ======================= q-point: ( 0.25 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 22.551 -9.883 11.452) 27.154 2.796 ( 26.753 14.387 25.652) 39.758 3.441 ( 2.499 -4.717 1.234) 5.478 3.770 ( 5.456 8.281 12.204) 15.725 3.981 ( -13.390 -1.640 11.407) 17.666 4.493 ( 0.189 2.252 -3.086) 3.826 4.591 ( 34.253 -37.100 40.908) 64.985 4.988 ( 10.184 -0.171 -4.278) 11.047 5.091 ( -3.804 -0.567 -1.978) 4.325 5.365 ( 5.423 2.341 -5.160) 7.844 5.670 ( 12.976 4.705 3.125) 14.152 6.092 ( -6.876 0.042 -6.537) 9.487 6.137 ( -8.016 1.148 -1.275) 8.198 6.748 ( -8.154 1.546 0.187) 8.302 6.808 ( -4.455 4.999 -8.994) 11.213 7.010 ( -6.105 -0.684 5.838) 8.475 7.380 ( -3.336 10.129 0.384) 10.672 7.692 ( -1.224 -0.305 0.031) 1.261 7.881 ( -3.712 12.467 4.117) 13.644 8.137 ( 1.448 -1.188 2.767) 3.341 8.375 ( -14.844 -2.803 0.837) 15.130 8.441 ( 2.641 -2.261 15.264) 15.655 8.568 ( 10.519 -4.749 2.109) 11.732 8.977 ( 8.252 -10.565 0.396) 13.412 9.237 ( -6.785 0.527 -3.069) 7.465 9.764 ( 2.169 7.805 -4.366) 9.202 10.033 ( -2.971 -8.207 -3.550) 9.423 10.456 ( 4.361 5.228 -10.271) 12.323 10.607 ( 1.753 -4.770 -2.157) 5.521 10.972 ( 3.547 -18.955 3.775) 19.650 11.349 ( 0.873 5.873 6.741) 8.983 11.825 ( -1.972 -3.174 4.733) 6.030 12.345 ( -2.387 4.201 -11.703) 12.661 12.656 ( -1.077 2.502 -1.313) 3.024 13.109 ( 1.461 -0.930 -0.888) 1.946 13.502 ( -0.892 6.308 -11.828) 13.435 13.840 ( 2.130 0.397 -12.041) 12.234 14.051 ( 1.309 -0.002 1.225) 1.793 14.236 ( -2.796 -1.583 3.072) 4.445 15.108 ( -1.670 17.147 11.857) 20.914 15.664 ( -2.349 -10.094 3.501) 10.939 15.700 ( -7.828 -15.752 15.958) 23.750 16.472 ( 3.183 12.007 -4.868) 13.342 16.902 ( 4.889 -10.285 -10.067) 15.199 17.058 ( -1.492 11.058 -5.603) 12.486 17.711 ( -1.912 -0.741 13.843) 13.994 18.137 ( -7.083 -7.016 -4.551) 10.959 18.444 ( 6.192 2.664 -3.853) 7.765 18.835 ( 4.367 -7.814 -5.960) 10.754 19.191 ( 27.988 -1.515 -15.847) 32.199 20.745 ( -0.422 -1.585 11.613) 11.728 21.435 ( -1.275 1.954 0.918) 2.507 22.426 ( -3.734 6.025 5.513) 8.980 22.650 ( -15.555 -4.339 2.168) 16.294 ======================= Grid point 142 (68/165) ======================= q-point: ( 0.38 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 17.358 -7.969 3.876) 19.489 2.976 ( 27.238 3.947 13.636) 30.715 3.520 ( 1.098 -3.510 3.519) 5.090 3.743 ( 6.479 6.577 10.120) 13.699 3.892 ( -6.872 -2.572 14.465) 16.219 4.401 ( -2.821 7.685 -5.149) 9.671 4.971 ( -3.604 2.872 -3.847) 6.004 5.111 ( 2.979 3.584 -0.290) 4.670 5.302 ( 3.527 -2.992 6.287) 7.805 5.662 ( 22.201 -11.759 11.929) 27.811 5.705 ( 10.654 -8.867 20.213) 24.509 6.009 ( 3.333 1.247 -8.281) 9.013 6.146 ( -0.526 -13.004 1.868) 13.148 6.628 ( -7.097 3.726 7.382) 10.897 6.707 ( -3.729 3.463 -10.965) 12.088 6.802 ( -7.274 7.992 -0.071) 10.807 7.401 ( 6.691 -0.487 1.925) 6.979 7.529 ( -9.979 9.170 10.169) 16.944 7.760 ( 0.808 2.216 -0.019) 2.359 7.987 ( -6.899 13.491 7.088) 16.729 8.259 ( -7.089 -1.222 4.199) 8.329 8.627 ( 2.916 -11.263 6.005) 13.093 8.778 ( 5.631 -8.789 -2.093) 10.646 9.075 ( -5.726 -1.986 -0.644) 6.095 9.242 ( 2.279 -2.473 1.858) 3.842 9.773 ( 8.645 -2.446 -1.501) 9.109 10.132 ( -4.122 -8.561 -4.844) 10.665 10.312 ( -3.443 7.873 -9.397) 12.734 10.712 ( 2.526 -3.166 -2.249) 4.633 11.165 ( -0.002 14.146 3.561) 14.587 11.360 ( 1.760 -20.886 0.958) 20.982 11.865 ( -0.288 -3.664 2.157) 4.261 12.337 ( 2.808 -3.212 -5.396) 6.879 12.606 ( 0.025 2.484 -1.611) 2.960 13.092 ( 0.700 6.812 2.866) 7.423 13.386 ( 0.856 7.244 -7.538) 10.489 13.842 ( -0.458 -0.394 -12.769) 12.783 14.026 ( 1.368 3.649 -2.757) 4.774 14.323 ( -1.538 -10.583 -2.124) 10.903 14.874 ( -3.046 9.892 6.340) 12.138 15.660 ( -8.649 -0.571 -4.121) 9.598 15.921 ( -4.592 -19.839 14.691) 25.109 16.305 ( 4.209 14.473 -1.799) 15.180 16.883 ( 3.988 13.177 -3.253) 14.146 17.105 ( 3.887 -9.241 -1.388) 10.120 17.687 ( -5.017 -1.209 9.655) 10.947 18.171 ( -6.288 -7.396 -5.512) 11.163 18.498 ( 7.851 1.525 -2.330) 8.330 18.971 ( 0.456 -5.757 -8.334) 10.139 19.475 ( 19.887 1.328 -14.251) 24.502 20.785 ( 0.390 -2.995 14.121) 14.440 21.384 ( -0.398 3.780 7.247) 8.183 22.270 ( -10.767 0.345 8.460) 13.698 22.604 ( -3.827 -2.721 -5.121) 6.948 ======================= Grid point 143 (69/165) ======================= q-point: ( 0.50 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 7.129 -2.477 1.693) 7.735 3.308 ( 21.266 -6.208 -1.965) 22.240 3.588 ( -0.377 -4.175 10.390) 11.204 3.675 ( 6.995 12.830 3.121) 14.943 3.901 ( -0.254 -0.842 21.168) 21.186 4.182 ( -4.440 13.034 -5.505) 14.830 4.832 ( -5.057 9.309 6.350) 12.351 5.032 ( -1.954 4.750 -4.010) 6.516 5.335 ( 6.104 1.585 8.671) 10.722 5.644 ( -0.377 0.761 3.263) 3.372 5.995 ( -7.324 -5.868 -2.518) 9.717 6.135 ( 11.965 4.367 7.704) 14.886 6.474 ( -2.931 2.667 4.686) 6.137 6.514 ( 2.072 -0.227 -1.595) 2.625 6.667 ( -2.230 -4.953 -2.690) 6.061 6.784 ( 9.593 -14.126 8.989) 19.297 7.131 ( -18.584 8.879 9.717) 22.773 7.545 ( 4.583 1.028 -2.788) 5.462 7.665 ( 2.244 9.036 5.206) 10.667 7.905 ( 5.181 -5.182 4.819) 8.770 8.216 ( -1.914 -2.300 7.442) 8.021 8.779 ( 1.356 -3.950 5.866) 7.201 8.907 ( -3.852 -3.706 0.434) 5.363 9.009 ( -5.958 1.008 -3.674) 7.072 9.292 ( 1.852 -2.346 -0.988) 3.148 9.904 ( -3.381 -3.997 2.699) 5.890 10.158 ( 6.653 -3.190 -7.054) 10.207 10.346 ( 1.891 -10.484 -3.890) 11.342 10.701 ( -2.208 6.760 3.699) 8.016 10.939 ( -0.040 10.141 -8.865) 13.470 11.641 ( 6.247 -6.051 2.267) 8.988 11.966 ( -3.350 -13.115 0.364) 13.541 12.417 ( 0.403 -2.186 1.853) 2.893 12.625 ( 4.526 -2.001 -2.721) 5.647 12.925 ( 0.334 13.287 6.177) 14.657 13.285 ( -1.071 6.620 -4.480) 8.065 13.838 ( -2.243 -1.685 -13.105) 13.402 13.983 ( 1.164 3.480 -8.667) 9.412 14.468 ( -0.975 -9.864 -4.032) 10.701 14.756 ( -3.610 0.980 1.804) 4.153 15.547 ( -6.849 0.361 -9.059) 11.363 16.135 ( 5.750 14.490 -0.280) 15.592 16.183 ( -2.670 -17.661 13.890) 22.627 16.747 ( 3.746 10.771 1.057) 11.453 17.267 ( 3.332 -6.134 4.356) 8.228 17.643 ( -4.347 -0.238 5.974) 7.392 18.197 ( -6.051 -5.904 -6.236) 10.505 18.561 ( 6.629 2.345 -3.351) 7.790 19.001 ( -3.921 -1.305 -10.619) 11.394 19.606 ( 12.915 6.422 -12.173) 18.874 20.852 ( 0.382 -4.115 15.724) 16.258 21.321 ( -0.637 3.783 13.979) 14.496 22.196 ( -8.836 -5.368 5.544) 11.731 22.615 ( 2.065 -0.432 -8.053) 8.325 ======================= Grid point 144 (70/165) ======================= q-point: (-0.38 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( -4.793 9.233 -7.032) 12.556 3.383 ( -4.450 10.386 5.342) 12.499 3.609 ( -5.204 1.262 22.694) 23.317 3.738 ( 26.087 4.206 8.082) 27.632 3.931 ( 4.020 -4.662 10.318) 12.015 4.009 ( 0.410 5.624 -7.859) 9.673 4.618 ( -5.100 8.549 7.092) 12.222 4.920 ( -6.825 4.171 -0.057) 7.999 5.409 ( 3.159 -1.791 3.893) 5.323 5.522 ( -0.516 24.712 21.377) 32.679 5.882 ( -6.596 4.245 -10.174) 12.847 6.096 ( 2.453 2.267 19.607) 19.890 6.388 ( -4.923 -0.860 -6.684) 8.346 6.565 ( -7.942 0.764 -2.272) 8.296 6.723 ( 8.396 -5.596 -1.035) 10.143 6.834 ( -6.931 -5.942 0.975) 9.181 7.129 ( 1.745 -7.866 -0.694) 8.087 7.601 ( 1.157 4.401 -3.427) 5.697 7.653 ( 6.003 -5.690 3.739) 9.077 8.012 ( 0.440 -3.045 5.468) 6.274 8.319 ( 7.224 3.737 2.584) 8.534 8.797 ( -7.263 -1.082 2.803) 7.860 8.816 ( -0.838 1.852 7.993) 8.247 8.937 ( 0.505 0.586 1.594) 1.772 9.359 ( -1.364 -5.681 -0.488) 5.863 9.979 ( -3.598 -12.384 -2.764) 13.189 10.173 ( 4.857 16.618 0.794) 17.331 10.589 ( -4.039 -11.659 6.414) 13.906 10.607 ( 3.290 -8.170 -4.871) 10.065 10.833 ( 1.111 6.297 -11.987) 13.586 11.694 ( 6.686 8.348 2.753) 11.044 12.113 ( -6.536 -12.079 -0.359) 13.739 12.446 ( -2.649 -1.492 4.989) 5.842 12.598 ( 4.809 10.887 2.709) 12.206 12.889 ( 2.531 -5.658 6.529) 9.002 13.171 ( -2.642 2.748 -7.145) 8.098 13.822 ( -2.313 -0.528 -11.592) 11.832 13.948 ( 1.037 2.211 -14.112) 14.322 14.582 ( -0.295 -4.915 -1.035) 5.031 14.719 ( -3.293 -1.046 -3.311) 4.785 15.540 ( -1.049 -7.163 -10.007) 12.351 15.979 ( 6.780 15.138 2.103) 16.720 16.378 ( -4.774 -8.626 6.531) 11.826 16.683 ( 3.463 -0.335 8.205) 8.912 17.370 ( 0.880 -3.560 7.590) 8.429 17.614 ( 1.605 1.321 3.293) 3.895 18.207 ( -5.648 -5.031 -7.967) 10.986 18.547 ( 1.227 6.602 -5.697) 8.806 18.912 ( -6.224 4.160 -10.691) 13.052 19.579 ( 7.295 11.986 -11.418) 18.090 20.913 ( -1.061 -2.547 13.666) 13.941 21.290 ( -0.522 -0.773 19.835) 19.857 22.207 ( -5.751 -6.478 2.621) 9.051 22.666 ( 6.943 0.168 -8.436) 10.927 ======================= Grid point 145 (71/165) ======================= q-point: (-0.25 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( -8.930 22.841 -1.037) 24.547 3.068 ( -14.726 22.546 25.310) 36.957 3.488 ( -3.491 1.561 20.477) 20.831 3.913 ( -3.333 2.260 -4.014) 5.686 3.970 ( 18.340 3.287 8.951) 20.671 4.204 ( 14.474 -9.822 -4.335) 18.021 4.493 ( -5.067 0.987 4.994) 7.182 4.724 ( -3.293 15.030 20.089) 25.304 5.060 ( -5.294 16.789 21.177) 27.538 5.498 ( 7.765 3.000 1.223) 8.414 5.615 ( -8.124 15.514 -11.454) 20.925 6.157 ( 0.652 0.144 9.444) 9.468 6.446 ( -9.435 -0.816 2.693) 9.846 6.479 ( 0.463 -16.000 -5.286) 16.857 6.849 ( 5.033 -8.857 -0.633) 10.207 7.018 ( 3.851 -6.269 -5.799) 9.368 7.265 ( -0.023 -10.002 -4.210) 10.852 7.521 ( -2.186 2.414 -6.276) 7.071 7.764 ( -3.333 -5.099 3.023) 6.800 8.068 ( -3.338 -2.439 12.299) 12.975 8.148 ( 8.865 17.523 -12.083) 23.058 8.624 ( -4.042 9.391 3.323) 10.750 8.904 ( 4.159 -0.502 2.446) 4.851 9.081 ( 6.135 -10.057 6.703) 13.554 9.429 ( -5.567 -7.802 6.623) 11.651 9.897 ( 2.471 20.834 4.296) 21.416 10.082 ( -10.023 -8.400 -7.195) 14.926 10.602 ( -4.281 -0.335 -0.643) 4.342 10.690 ( 2.027 5.118 -12.820) 13.952 10.938 ( 1.653 -14.994 5.224) 15.964 11.553 ( 3.083 17.097 0.829) 17.392 12.234 ( -3.280 -12.481 7.917) 15.140 12.303 ( -3.281 9.459 0.662) 10.034 12.609 ( 0.973 -1.031 7.114) 7.254 12.970 ( -3.569 -5.997 0.660) 7.010 13.215 ( 3.511 -6.894 -6.207) 9.919 13.802 ( -0.122 -0.014 -9.804) 9.805 13.929 ( 0.546 0.635 -16.429) 16.450 14.539 ( -1.891 7.204 2.287) 7.791 14.764 ( -1.088 -7.599 -6.461) 10.034 15.716 ( 4.397 -11.838 -7.422) 14.648 15.840 ( 7.425 14.201 3.276) 16.357 16.326 ( -8.520 0.356 3.604) 9.257 16.863 ( 3.433 -12.923 8.538) 15.864 17.404 ( -1.510 -1.768 7.461) 7.815 17.664 ( 8.854 0.596 3.424) 9.511 18.167 ( -8.988 3.906 -16.603) 19.280 18.385 ( -2.051 8.591 -2.936) 9.307 18.742 ( -3.889 8.998 -7.061) 12.081 19.415 ( 2.436 16.258 -11.324) 19.963 20.899 ( -2.901 1.451 10.807) 11.284 21.358 ( -0.671 -6.994 19.582) 20.804 22.248 ( -2.383 -5.221 1.827) 6.023 22.771 ( 9.512 -1.393 -7.110) 11.958 ======================= Grid point 146 (72/165) ======================= q-point: (-0.12 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 4.025 11.375 22.159) 25.231 2.423 ( -25.449 26.783 35.623) 51.322 3.469 ( 1.630 5.343 8.847) 10.463 3.712 ( 5.285 19.116 14.349) 24.480 4.178 ( 11.029 -2.658 6.410) 13.031 4.375 ( -6.577 4.612 3.259) 8.669 4.439 ( 9.816 15.392 23.663) 29.886 4.543 ( 2.786 -8.762 -2.069) 9.424 5.034 ( 2.580 -9.173 12.718) 15.891 5.291 ( -3.230 10.363 -11.585) 15.876 5.530 ( 1.708 3.985 -2.707) 5.111 6.129 ( 0.735 2.911 0.729) 3.090 6.363 ( -8.535 -1.834 1.812) 8.915 6.753 ( -0.487 -16.644 -6.139) 17.747 7.018 ( 0.285 1.058 -0.774) 1.341 7.149 ( 3.366 -15.073 -3.935) 15.938 7.333 ( -0.315 -2.218 -0.275) 2.257 7.589 ( -4.890 -14.067 -6.657) 16.313 7.742 ( -4.774 -0.416 -1.087) 4.914 7.969 ( 7.152 6.955 -2.661) 10.325 8.196 ( 8.080 -0.109 7.845) 11.262 8.431 ( -0.291 12.034 3.327) 12.489 8.980 ( 2.972 -3.262 1.058) 4.538 9.215 ( -6.072 -2.962 -4.331) 8.025 9.391 ( -6.411 2.847 7.338) 10.151 9.688 ( 8.013 13.445 4.955) 16.417 10.007 ( -13.608 -4.573 -2.633) 14.595 10.466 ( -0.710 13.353 -9.366) 16.325 10.677 ( -1.303 -1.546 -1.933) 2.797 11.091 ( 0.395 1.304 3.397) 3.660 11.328 ( 1.014 10.498 4.005) 11.282 12.115 ( -6.551 6.891 8.978) 13.077 12.426 ( -0.035 -12.279 1.085) 12.327 12.607 ( -6.349 -3.810 -1.128) 7.490 13.033 ( 0.057 -4.387 1.916) 4.788 13.373 ( 2.532 -8.594 -6.647) 11.156 13.815 ( 2.131 0.393 -12.193) 12.384 13.941 ( 0.856 -2.672 -10.638) 11.002 14.399 ( -2.579 6.356 3.636) 7.763 14.882 ( 0.076 -9.346 -2.225) 9.607 15.710 ( 7.605 14.048 8.988) 18.329 15.938 ( 6.035 -5.349 -3.912) 8.963 16.277 ( -7.970 -9.401 -2.582) 12.593 17.057 ( -1.250 -6.473 1.670) 6.801 17.425 ( -1.379 -2.099 8.251) 8.625 17.611 ( -22.671 8.744 -5.136) 24.836 17.970 ( 30.636 14.770 -6.069) 34.547 18.359 ( 0.479 -2.437 -2.725) 3.687 18.545 ( -3.888 10.445 -4.126) 11.884 19.148 ( -1.114 18.471 -10.975) 21.515 20.833 ( -3.113 2.409 9.920) 10.673 21.459 ( -2.661 -6.880 9.908) 12.352 22.317 ( 0.707 -5.040 4.238) 6.623 22.913 ( 6.425 -3.992 -5.696) 9.469 ======================= Grid point 149 (73/165) ======================= q-point: ( 0.25 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 27.589 0.000 -1.043) 27.609 3.120 ( 9.158 0.000 8.407) 12.432 3.475 ( 5.854 0.000 2.775) 6.478 3.821 ( -9.208 -0.000 14.723) 17.365 4.087 ( 19.907 0.000 21.757) 29.490 4.473 ( -5.468 -0.000 -1.493) 5.668 4.686 ( 38.518 0.000 39.582) 55.231 5.025 ( -3.409 -0.000 -7.303) 8.060 5.148 ( 13.955 0.000 -0.451) 13.962 5.411 ( 1.137 0.000 -7.659) 7.743 5.893 ( -2.460 -0.000 19.251) 19.408 5.939 ( 5.988 0.000 -16.349) 17.411 6.081 ( -7.147 -0.000 -2.987) 7.746 6.670 ( -6.548 -0.000 -4.685) 8.052 6.886 ( -1.978 -0.000 0.569) 2.058 6.889 ( -2.159 -0.000 7.016) 7.340 7.425 ( -4.224 -0.000 0.223) 4.230 7.656 ( -2.900 -0.000 -1.420) 3.229 7.822 ( -11.839 -0.000 0.303) 11.843 8.177 ( -5.773 -0.000 0.658) 5.810 8.216 ( 2.845 0.000 6.120) 6.749 8.511 ( 2.660 0.000 18.354) 18.545 8.633 ( 6.289 0.000 0.248) 6.294 9.046 ( 14.671 0.000 -1.572) 14.755 9.134 ( -9.810 -0.000 -3.695) 10.483 9.846 ( -6.436 -0.000 1.149) 6.538 9.925 ( 5.414 0.000 -6.530) 8.483 10.510 ( -3.129 -0.000 -4.493) 5.475 10.643 ( 5.056 0.000 -9.422) 10.693 10.793 ( -0.229 -0.000 8.256) 8.260 11.434 ( 2.561 0.000 4.626) 5.288 11.808 ( 3.049 0.000 2.192) 3.755 12.384 ( 2.639 0.000 -14.080) 14.325 12.619 ( -6.047 -0.000 -2.001) 6.369 13.116 ( 2.120 0.000 -3.648) 4.219 13.526 ( -0.955 -0.000 -15.912) 15.941 13.879 ( 2.407 0.000 -9.993) 10.279 14.035 ( 0.008 0.000 4.282) 4.282 14.228 ( -1.487 -0.000 3.327) 3.644 15.239 ( -8.860 -0.000 17.269) 19.409 15.490 ( 3.144 0.000 12.617) 13.002 15.516 ( -10.176 -0.000 6.846) 12.265 16.630 ( 2.346 0.000 -0.270) 2.362 16.809 ( -0.648 -0.000 -12.015) 12.032 17.195 ( 7.864 0.000 -14.215) 16.246 17.647 ( -5.437 -0.000 9.119) 10.616 18.012 ( -4.940 -0.000 -2.191) 5.404 18.559 ( 7.862 0.000 2.288) 8.188 18.824 ( 5.616 0.000 -2.929) 6.333 19.502 ( 24.378 0.000 -18.307) 30.487 20.741 ( 1.123 0.000 12.477) 12.528 21.443 ( 0.211 0.000 -0.077) 0.224 22.314 ( -24.140 -0.000 12.656) 27.256 22.515 ( 1.656 0.000 -1.908) 2.526 ======================= Grid point 150 (74/165) ======================= q-point: ( 0.38 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 19.108 -1.668 -6.199) 20.157 3.194 ( 5.870 -1.077 -2.177) 6.353 3.510 ( -3.309 -1.753 7.121) 8.046 3.817 ( 5.652 -0.897 16.463) 17.429 4.177 ( 24.621 17.501 24.357) 38.804 4.396 ( -6.008 0.434 -0.273) 6.030 4.943 ( -4.801 3.847 -6.137) 8.690 5.226 ( 10.745 -3.752 -1.056) 11.430 5.292 ( 3.366 -0.223 4.512) 5.634 5.525 ( 9.503 -16.109 5.109) 19.388 5.804 ( -4.402 -0.612 20.997) 21.462 5.990 ( 0.494 -5.959 4.251) 7.336 6.175 ( 23.420 -1.116 -7.744) 24.692 6.590 ( -5.540 1.777 4.088) 7.111 6.753 ( -1.956 6.678 -4.183) 8.119 6.838 ( -8.388 5.970 1.377) 10.387 7.439 ( 1.778 -1.127 -1.619) 2.656 7.547 ( -5.599 5.997 6.919) 10.732 7.728 ( -5.385 -2.583 3.725) 7.038 8.091 ( -3.806 7.795 4.314) 9.688 8.209 ( -1.216 1.007 0.909) 1.822 8.579 ( 7.425 -2.348 14.071) 16.082 8.732 ( 2.610 -4.848 -1.162) 5.627 9.015 ( -5.337 -0.238 -4.116) 6.743 9.223 ( 4.649 -3.300 1.297) 5.847 9.777 ( -3.189 -1.146 0.719) 3.465 10.029 ( 4.593 -4.223 -3.912) 7.364 10.408 ( -1.855 9.204 -9.291) 13.209 10.643 ( -1.723 -5.014 0.319) 5.311 11.017 ( -1.235 -21.307 4.110) 21.735 11.373 ( 1.333 10.796 2.247) 11.108 11.882 ( 6.032 -1.209 -0.133) 6.153 12.371 ( 2.625 3.902 -9.405) 10.515 12.590 ( -2.059 -3.420 -3.905) 5.584 13.146 ( 1.773 0.083 -2.419) 3.001 13.491 ( 1.167 3.926 -13.233) 13.853 13.860 ( -0.330 3.562 -8.881) 9.574 14.065 ( -0.134 -1.520 -0.685) 1.673 14.199 ( -0.225 -0.901 1.252) 1.559 15.010 ( -7.850 13.811 10.012) 18.778 15.469 ( -11.072 -9.732 6.204) 15.993 15.633 ( -0.534 -11.592 12.006) 16.698 16.522 ( 0.305 9.963 -0.740) 9.995 16.917 ( -2.238 -11.092 -4.458) 12.162 17.198 ( 8.937 11.465 -13.570) 19.886 17.623 ( -0.283 -0.715 7.560) 7.599 18.002 ( -5.218 -5.928 -3.621) 8.688 18.629 ( 7.724 2.283 3.783) 8.899 18.921 ( 3.810 -3.172 -2.977) 5.782 19.732 ( 17.795 1.943 -17.192) 24.820 20.777 ( 2.527 -0.881 14.199) 14.449 21.435 ( 0.756 2.515 3.716) 4.550 22.058 ( -20.022 -2.600 12.672) 23.837 22.551 ( 0.989 -2.359 -4.836) 5.471 ======================= Grid point 151 (75/165) ======================= q-point: ( 0.50 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( 8.907 1.464 -2.103) 9.268 3.332 ( 5.266 -7.676 -15.449) 18.037 3.479 ( -7.489 -3.846 12.101) 14.742 3.896 ( 2.641 1.008 22.282) 22.461 4.219 ( 23.824 20.727 12.097) 33.816 4.313 ( 3.191 4.778 1.563) 5.954 4.780 ( -10.946 4.177 -2.987) 12.091 5.161 ( 1.913 9.926 -2.032) 10.311 5.386 ( -0.989 -1.995 8.795) 9.073 5.632 ( -2.193 -1.015 0.928) 2.588 5.751 ( -6.726 -9.940 -4.127) 12.691 6.406 ( 17.487 -1.763 12.316) 21.462 6.457 ( -4.351 -4.355 -4.884) 7.858 6.495 ( -1.958 4.386 13.032) 13.889 6.651 ( 1.494 2.383 -2.371) 3.679 6.730 ( 12.472 -8.348 3.148) 15.334 7.177 ( -8.567 17.707 12.870) 23.507 7.586 ( 2.785 -0.765 -1.544) 3.275 7.779 ( 2.481 -4.084 5.237) 7.089 7.877 ( -5.573 7.183 3.834) 9.867 8.211 ( 3.655 -1.125 6.768) 7.774 8.740 ( 5.870 -5.073 9.581) 12.328 8.797 ( -3.668 -3.961 -4.453) 6.997 8.990 ( -1.081 1.082 -5.020) 5.248 9.283 ( 1.513 -2.082 -1.293) 2.880 9.757 ( -8.877 -3.509 4.639) 10.613 10.159 ( 6.210 -4.607 -5.153) 9.292 10.310 ( 3.353 0.467 -3.825) 5.108 10.701 ( -3.269 -3.435 -2.050) 5.166 11.104 ( -3.762 11.597 -4.093) 12.861 11.405 ( -0.130 -20.832 7.129) 22.019 11.953 ( 7.157 2.807 -2.006) 7.945 12.360 ( -2.846 -2.568 -0.907) 3.939 12.659 ( 6.502 -2.219 -4.409) 8.163 13.112 ( 1.201 7.720 0.809) 7.855 13.403 ( 0.320 9.442 -6.913) 11.706 13.791 ( -2.516 0.674 -12.591) 12.858 14.045 ( 0.517 3.123 -4.786) 5.738 14.293 ( -0.518 -10.144 -3.286) 10.675 14.741 ( -8.063 6.693 3.699) 11.112 15.464 ( -5.963 -2.638 -1.441) 6.677 15.855 ( -2.315 -18.499 12.595) 22.499 16.387 ( 1.844 9.728 4.119) 10.724 16.986 ( 3.040 6.936 -5.016) 9.084 17.125 ( -3.510 -3.384 -4.529) 6.654 17.655 ( 5.563 1.501 8.605) 10.356 18.039 ( -4.572 -6.410 -7.091) 10.596 18.681 ( 6.230 2.532 0.904) 6.786 18.970 ( 0.390 0.136 -4.504) 4.523 19.848 ( 11.644 5.223 -15.053) 19.735 20.833 ( 2.807 -1.272 16.336) 16.624 21.373 ( -2.082 4.672 10.995) 12.127 21.960 ( -11.760 -8.646 8.200) 16.742 22.608 ( 1.897 -3.271 -7.677) 8.557 ======================= Grid point 152 (76/165) ======================= q-point: (-0.38 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 2.192 7.716 -3.466) 8.738 3.384 ( -7.147 -2.525 -1.595) 7.746 3.561 ( 1.616 -4.437 11.423) 12.361 3.868 ( -1.603 -0.865 14.234) 14.350 4.073 ( 0.447 13.375 1.473) 13.464 4.364 ( 25.128 17.242 7.214) 31.317 4.578 ( -11.031 1.552 2.414) 11.398 4.944 ( -10.464 11.051 2.625) 15.444 5.384 ( 0.005 -2.011 2.890) 3.521 5.766 ( 1.297 -8.358 -9.799) 12.945 5.853 ( 8.647 -1.829 7.297) 11.461 6.242 ( -4.452 16.017 17.615) 24.221 6.260 ( -15.990 -3.218 -2.481) 16.498 6.507 ( -3.736 8.824 -2.465) 9.894 6.795 ( 14.874 -5.232 2.154) 15.914 6.834 ( 1.582 13.270 13.368) 18.903 7.071 ( 4.393 -6.652 0.749) 8.007 7.629 ( 2.156 -1.557 -4.230) 4.996 7.670 ( -4.337 5.299 -0.636) 6.877 7.990 ( 6.091 -5.815 13.949) 16.294 8.404 ( 10.920 -12.005 10.513) 19.336 8.707 ( -11.582 3.124 -6.056) 13.438 8.832 ( 4.849 2.143 4.891) 7.213 8.933 ( -2.435 1.124 -0.988) 2.858 9.335 ( 3.934 0.449 -6.586) 7.685 9.751 ( -6.103 -9.344 4.013) 11.860 10.325 ( -0.928 -13.084 2.445) 13.343 10.411 ( 7.412 1.448 -0.668) 7.582 10.607 ( -4.355 5.929 -2.488) 7.766 10.913 ( -1.743 7.047 -10.054) 12.401 11.725 ( -3.746 -21.967 6.466) 23.203 11.948 ( 5.406 8.303 -1.443) 10.012 12.374 ( -3.547 -4.529 4.981) 7.609 12.771 ( 6.505 1.638 -4.187) 7.908 12.961 ( 1.977 10.552 5.435) 12.033 13.219 ( -4.039 9.168 -6.074) 11.715 13.784 ( -0.261 -1.690 -12.706) 12.820 13.997 ( 0.604 3.370 -10.742) 11.275 14.451 ( 0.211 -10.467 -5.105) 11.648 14.642 ( -4.896 -2.269 1.377) 5.569 15.445 ( -1.409 -2.674 -6.353) 7.035 16.102 ( -4.544 -15.439 4.599) 16.738 16.274 ( 4.499 8.817 10.622) 14.519 16.830 ( 2.957 13.767 -0.401) 14.086 17.190 ( -7.745 -11.408 -0.857) 13.815 17.703 ( 5.994 2.288 10.092) 11.958 18.084 ( -1.251 -4.841 -9.488) 10.725 18.676 ( 3.034 5.885 -3.064) 7.295 18.928 ( -1.617 3.782 -6.024) 7.294 19.832 ( 5.987 10.029 -13.937) 18.184 20.890 ( 1.950 -1.183 17.115) 17.266 21.282 ( -3.950 2.039 15.984) 16.590 22.016 ( -4.622 -9.853 4.998) 11.976 22.690 ( 3.074 -3.989 -9.181) 10.472 ======================= Grid point 153 (77/165) ======================= q-point: (-0.25 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( -1.749 19.932 -4.899) 20.599 3.239 ( -11.521 15.856 19.346) 27.540 3.521 ( -0.611 5.265 23.716) 24.301 3.836 ( -7.531 3.110 0.466) 8.162 4.015 ( 3.808 -11.565 -7.063) 14.076 4.399 ( -0.399 -1.791 1.204) 2.195 4.527 ( 13.822 13.317 7.882) 20.748 4.712 ( -6.296 -1.469 6.626) 9.257 5.380 ( 4.456 9.813 6.497) 12.585 5.757 ( -4.284 13.720 -11.118) 18.172 5.780 ( 7.795 17.530 15.847) 24.883 6.090 ( -9.435 -6.965 4.673) 12.624 6.297 ( -1.533 -8.776 6.468) 11.009 6.335 ( 1.326 4.657 2.400) 5.405 6.738 ( 1.561 -3.993 2.936) 5.196 7.048 ( 8.768 -2.134 -0.790) 9.058 7.162 ( -0.066 -4.312 -4.470) 6.211 7.544 ( -3.468 4.190 -2.350) 5.924 7.673 ( -1.494 -2.899 -2.207) 3.938 8.095 ( 5.920 1.744 14.754) 15.993 8.384 ( -8.779 6.707 -8.885) 14.177 8.749 ( 9.713 7.467 -1.174) 12.308 8.904 ( -2.937 -2.548 1.236) 4.080 8.959 ( 6.343 -17.476 17.228) 25.347 9.335 ( 2.123 4.466 -9.090) 10.348 9.815 ( -10.326 -6.933 2.401) 12.667 10.253 ( 0.933 14.767 0.686) 14.812 10.488 ( -2.393 -5.544 5.788) 8.364 10.675 ( 2.158 -11.276 -5.297) 12.644 10.810 ( -2.433 1.537 -9.076) 9.521 11.805 ( -3.181 10.218 -1.058) 10.754 11.990 ( 1.838 -12.574 8.592) 15.340 12.372 ( -2.361 3.310 3.334) 5.257 12.735 ( 4.648 3.937 2.077) 6.436 12.859 ( -5.773 5.820 2.679) 8.624 13.153 ( 1.806 -4.482 -5.617) 7.410 13.807 ( 2.050 -0.407 -10.413) 10.621 13.954 ( 0.439 2.343 -14.793) 14.984 14.587 ( 0.879 -1.858 -1.789) 2.725 14.636 ( -2.127 -5.215 -3.041) 6.401 15.555 ( 2.517 -11.776 -8.413) 14.690 16.083 ( -0.605 8.033 -5.790) 9.921 16.294 ( -0.953 0.253 15.468) 15.499 16.733 ( -0.733 -1.735 6.146) 6.428 17.274 ( -3.515 -8.403 0.941) 9.157 17.712 ( -1.199 1.830 7.933) 8.230 18.156 ( 4.611 -2.525 -8.484) 9.981 18.580 ( 4.315 10.577 -6.174) 12.985 18.818 ( -2.781 6.831 -6.465) 9.807 19.677 ( 1.019 14.724 -13.577) 20.054 20.905 ( -0.391 1.790 14.727) 14.841 21.263 ( -2.541 -4.044 17.965) 18.589 22.127 ( -0.562 -8.023 3.836) 8.910 22.788 ( 2.513 -4.627 -9.126) 10.536 ======================= Grid point 154 (78/165) ======================= q-point: (-0.12 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 4.861 18.156 7.611) 20.278 2.662 ( -13.653 31.316 28.764) 44.659 3.504 ( 3.297 2.165 18.041) 18.468 3.813 ( -5.171 -2.849 -6.622) 8.872 4.205 ( -3.226 -3.910 0.385) 5.084 4.266 ( -5.960 -4.819 1.959) 7.911 4.684 ( 16.854 -3.583 6.732) 18.499 4.818 ( 8.951 -4.748 8.897) 13.484 5.160 ( 15.209 32.220 24.748) 43.381 5.389 ( -8.971 14.208 -8.299) 18.741 5.705 ( 6.482 10.744 6.052) 13.931 6.100 ( -8.050 -7.191 -4.307) 11.622 6.228 ( -2.798 0.822 8.390) 8.883 6.539 ( 3.270 -12.880 -6.875) 14.962 6.917 ( -0.964 -13.200 2.131) 13.406 7.036 ( -4.566 3.871 -0.564) 6.012 7.220 ( -1.971 -4.991 -7.698) 9.384 7.486 ( 0.945 0.436 4.694) 4.808 7.686 ( -1.723 -1.872 -2.749) 3.746 8.103 ( 0.959 0.777 3.475) 3.688 8.319 ( 3.877 -0.378 4.856) 6.225 8.654 ( 6.296 13.939 -1.042) 15.330 8.917 ( -3.304 -2.637 0.259) 4.235 9.220 ( -5.959 6.229 -4.002) 9.504 9.298 ( 8.762 -8.301 6.019) 13.487 9.670 ( -15.285 2.075 4.408) 16.043 10.122 ( 8.158 9.648 -2.954) 12.975 10.498 ( -4.859 -2.379 -0.641) 5.448 10.682 ( -1.083 3.897 -8.355) 9.283 10.965 ( 0.023 -14.749 3.396) 15.134 11.575 ( -1.200 15.346 -1.353) 15.452 12.110 ( -4.951 0.931 13.671) 14.569 12.302 ( 1.783 -1.605 -5.796) 6.273 12.619 ( -1.513 9.277 5.035) 10.663 12.899 ( -0.835 -12.101 1.478) 12.220 13.273 ( 1.359 -6.907 -4.719) 8.475 13.839 ( 2.944 -0.062 -9.260) 9.717 13.930 ( 0.818 0.354 -14.019) 14.048 14.504 ( -0.856 8.006 0.042) 8.051 14.757 ( 1.071 -7.629 -3.517) 8.468 15.822 ( 4.134 -14.636 -4.445) 15.844 15.948 ( 0.084 6.212 -10.125) 11.879 16.209 ( -0.626 7.322 15.605) 17.249 16.828 ( -6.903 -13.111 4.835) 15.586 17.312 ( -6.169 0.977 0.313) 6.254 17.627 ( -1.607 3.308 7.680) 8.515 18.258 ( 6.340 -1.934 -4.816) 8.193 18.526 ( 10.791 7.789 -7.073) 15.071 18.659 ( 1.180 10.069 -7.812) 12.799 19.413 ( -1.777 17.718 -13.196) 22.163 20.852 ( -1.699 3.465 12.722) 13.294 21.334 ( -1.756 -6.542 13.966) 15.522 22.242 ( 1.372 -6.165 4.353) 7.671 22.864 ( -2.005 -4.410 -7.579) 8.994 ======================= Grid point 158 (79/165) ======================= q-point: ( 0.38 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( 12.257 0.000 -13.490) 18.227 3.217 ( 2.370 0.000 -6.725) 7.130 3.414 ( -8.161 -0.000 10.405) 13.224 3.974 ( 14.987 0.000 17.690) 23.185 4.183 ( -14.547 -0.000 9.277) 17.254 4.663 ( 10.712 0.000 13.572) 17.290 5.047 ( 12.761 0.000 -0.012) 12.761 5.196 ( -1.458 -0.000 4.448) 4.681 5.405 ( 4.527 0.000 -3.337) 5.624 5.425 ( 2.298 0.000 -7.951) 8.277 5.855 ( -12.305 -0.000 -2.108) 12.484 5.907 ( 21.201 0.000 36.291) 42.030 6.388 ( 11.031 0.000 -5.985) 12.550 6.575 ( -1.391 -0.000 7.931) 8.053 6.756 ( -2.861 -0.000 -5.905) 6.561 6.800 ( -4.822 -0.000 -0.304) 4.831 7.487 ( 7.549 0.000 -3.599) 8.363 7.545 ( -4.876 -0.000 5.992) 7.726 7.614 ( -6.408 -0.000 5.741) 8.604 8.185 ( 7.095 0.000 6.844) 9.858 8.186 ( -5.159 -0.000 0.051) 5.159 8.688 ( 8.377 0.000 19.219) 20.966 8.700 ( 0.448 0.000 -4.795) 4.816 8.913 ( -5.801 -0.000 -5.523) 8.009 9.259 ( 2.074 0.000 2.562) 3.296 9.712 ( -4.900 -0.000 0.216) 4.905 10.086 ( 9.336 0.000 -2.863) 9.765 10.461 ( -1.675 -0.000 -4.245) 4.563 10.580 ( -7.983 -0.000 -1.228) 8.077 10.804 ( 1.108 0.000 4.964) 5.086 11.481 ( 1.192 0.000 -0.869) 1.475 11.943 ( 6.013 0.000 0.592) 6.042 12.433 ( -7.727 -0.000 -1.875) 7.952 12.535 ( 10.027 0.000 -13.609) 16.904 13.168 ( 2.238 0.000 -4.178) 4.740 13.531 ( 2.730 0.000 -16.448) 16.673 13.884 ( -1.530 -0.000 -10.355) 10.467 14.029 ( -0.620 -0.000 2.945) 3.010 14.234 ( 1.706 0.000 1.838) 2.508 15.005 ( -15.923 -0.000 4.745) 16.615 15.256 ( -6.320 -0.000 12.629) 14.122 15.550 ( 0.722 0.000 14.650) 14.668 16.561 ( -7.770 -0.000 -4.967) 9.222 16.784 ( -0.180 -0.000 -3.662) 3.666 17.416 ( 9.465 0.000 -17.936) 20.280 17.669 ( 7.744 0.000 9.013) 11.883 17.876 ( -6.547 -0.000 -1.908) 6.819 18.722 ( 4.494 0.000 9.337) 10.362 18.958 ( 5.254 0.000 -3.463) 6.293 19.916 ( 11.602 0.000 -17.433) 20.941 20.828 ( 5.576 0.000 14.327) 15.374 21.482 ( 2.783 0.000 2.682) 3.864 21.787 ( -20.323 -0.000 15.654) 25.653 22.540 ( 0.571 0.000 -5.893) 5.921 ======================= Grid point 159 (80/165) ======================= q-point: ( 0.50 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.837 ( 3.989 0.310 -10.127) 10.889 3.262 ( -0.732 -2.398 -11.847) 12.109 3.361 ( -2.092 -3.572 9.881) 10.713 3.957 ( -5.947 3.056 19.156) 20.290 4.192 ( -5.190 -5.663 10.023) 12.628 4.657 ( -0.963 4.045 2.697) 4.956 4.999 ( 13.771 18.411 2.755) 23.156 5.250 ( 0.608 -0.784 5.321) 5.413 5.404 ( 4.639 8.662 3.732) 10.511 5.579 ( 7.353 -7.979 -1.652) 10.976 5.621 ( -8.398 3.709 -2.430) 9.496 6.246 ( -14.707 -5.974 -2.431) 16.059 6.430 ( 12.051 -11.119 17.425) 23.927 6.565 ( -0.200 1.791 10.662) 10.814 6.707 ( -3.912 3.697 -3.078) 6.200 6.857 ( 15.341 -0.928 0.502) 15.377 7.376 ( -1.700 10.344 4.550) 11.428 7.584 ( -0.089 -1.639 7.547) 7.723 7.668 ( 3.876 -8.558 -0.574) 9.412 7.996 ( -6.070 13.096 0.154) 14.435 8.288 ( 8.896 1.349 12.410) 15.329 8.705 ( -3.411 -1.412 -6.044) 7.082 8.774 ( 4.795 -2.405 12.832) 13.909 8.968 ( 4.809 -3.293 -5.602) 8.084 9.265 ( -0.088 -2.415 1.515) 2.853 9.649 ( -5.304 1.017 1.855) 5.710 10.212 ( 8.333 0.453 -3.875) 9.201 10.373 ( -1.200 3.997 -0.846) 4.258 10.547 ( -5.323 -8.332 -0.992) 9.937 10.958 ( -2.313 -14.568 1.936) 14.877 11.394 ( -0.346 10.247 -1.474) 10.359 12.033 ( 3.772 -3.980 0.355) 5.495 12.322 ( -2.701 3.854 -1.577) 4.963 12.703 ( 9.951 -4.140 -9.199) 14.170 13.188 ( 1.830 0.916 -3.403) 3.971 13.536 ( 2.840 5.230 -13.097) 14.386 13.803 ( -3.285 5.086 -10.745) 12.333 14.043 ( -1.632 -2.385 -2.086) 3.564 14.228 ( 2.395 1.352 1.140) 2.977 14.737 ( -13.495 6.674 1.052) 15.091 15.303 ( -2.800 -8.797 10.317) 13.845 15.632 ( -0.923 -9.143 13.151) 16.044 16.452 ( -5.837 1.227 -0.470) 5.983 16.835 ( -2.249 -7.010 -4.320) 8.536 17.361 ( 5.245 15.619 -12.893) 20.921 17.768 ( 5.142 1.370 12.729) 13.797 17.890 ( 0.347 -7.776 -7.859) 11.062 18.760 ( 2.489 0.682 7.856) 8.269 19.001 ( 2.552 1.141 -4.539) 5.331 19.998 ( 5.500 1.638 -16.301) 17.281 20.902 ( 7.044 1.486 15.242) 16.856 21.425 ( -4.821 6.751 10.614) 13.471 21.695 ( -7.681 -10.161 9.949) 16.163 22.564 ( 0.038 -3.086 -7.737) 8.330 ======================= Grid point 160 (81/165) ======================= q-point: (-0.38 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( 0.694 1.235 -3.377) 3.662 3.224 ( -7.116 -2.344 -2.378) 7.860 3.503 ( 5.085 -8.112 -1.199) 9.649 3.888 ( -2.805 1.073 23.201) 23.394 4.123 ( -10.555 -2.572 3.009) 11.272 4.448 ( -14.095 14.327 -2.890) 20.305 4.888 ( -3.501 11.523 6.380) 13.629 5.108 ( 10.563 20.566 6.745) 24.084 5.341 ( 2.309 -2.913 4.649) 5.952 5.662 ( 3.022 -6.441 -5.752) 9.149 5.865 ( 11.749 -12.255 3.246) 17.284 6.018 ( -15.446 2.253 -4.986) 16.386 6.399 ( -4.288 12.258 8.547) 15.546 6.589 ( -3.082 3.321 -2.447) 5.150 6.807 ( 0.329 -9.949 12.430) 15.925 7.030 ( 8.241 -3.734 6.075) 10.898 7.194 ( 4.124 13.809 6.207) 15.692 7.650 ( 3.774 0.521 -4.873) 6.186 7.729 ( -1.619 11.817 4.130) 12.623 7.926 ( 8.282 -16.183 14.341) 23.155 8.359 ( 1.787 -0.122 13.905) 14.020 8.629 ( -6.403 2.551 -5.299) 8.693 8.888 ( 3.380 -3.152 3.192) 5.617 8.955 ( -1.670 3.558 -4.869) 6.258 9.425 ( 13.138 -4.624 -4.377) 14.600 9.579 ( -5.017 -1.652 5.620) 7.713 10.198 ( -2.753 -0.357 -1.824) 3.321 10.458 ( 6.866 -4.235 2.482) 8.440 10.587 ( -4.439 -2.832 -7.427) 9.104 11.034 ( -1.142 7.308 -6.513) 9.856 11.339 ( -5.228 -14.501 6.432) 16.703 12.141 ( 6.491 -0.755 0.503) 6.554 12.249 ( -3.711 0.291 2.176) 4.312 12.860 ( 8.758 -1.301 -4.718) 10.032 13.147 ( 1.126 8.887 -0.191) 8.960 13.334 ( -6.185 14.005 -6.779) 16.743 13.762 ( 1.933 -1.411 -14.394) 14.591 14.035 ( -1.237 1.061 -8.372) 8.529 14.306 ( 1.972 -7.866 -1.642) 8.274 14.572 ( -4.084 0.537 0.058) 4.119 15.386 ( -1.356 -4.483 2.873) 5.495 15.801 ( -3.435 -14.704 8.671) 17.412 16.392 ( -1.031 1.820 8.737) 8.984 16.938 ( -2.724 -10.753 -5.332) 12.308 17.126 ( 2.254 18.918 -6.892) 20.260 17.762 ( -2.642 0.816 8.028) 8.491 18.045 ( 7.801 -4.512 -4.167) 9.928 18.761 ( 0.562 2.210 2.522) 3.400 18.976 ( 0.057 3.579 -6.162) 7.127 19.979 ( 0.094 4.700 -15.935) 16.614 20.958 ( 6.580 2.653 17.917) 19.270 21.266 ( -7.153 3.758 14.021) 16.183 21.828 ( 0.252 -10.863 7.181) 13.024 22.626 ( -0.320 -5.458 -9.197) 10.700 ======================= Grid point 161 (82/165) ======================= q-point: (-0.25 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( 1.490 11.721 -3.877) 12.435 3.207 ( -6.310 -4.511 7.623) 10.875 3.603 ( 0.425 2.588 14.437) 14.673 3.887 ( -4.680 3.560 10.814) 12.309 3.962 ( -1.565 13.400 -7.185) 15.285 4.171 ( -11.275 -16.662 0.713) 20.130 4.514 ( -21.983 10.645 6.267) 25.216 5.104 ( 23.775 13.797 12.878) 30.356 5.417 ( -0.156 -3.941 -1.521) 4.228 5.800 ( -1.228 -7.967 -1.615) 8.222 5.825 ( -11.344 0.755 -5.695) 12.716 6.080 ( -0.589 15.626 0.331) 15.641 6.223 ( 9.394 -7.354 9.155) 15.039 6.535 ( 4.552 4.562 0.314) 6.452 6.797 ( -4.935 4.026 13.296) 14.742 7.100 ( 2.048 0.653 3.850) 4.410 7.145 ( 1.791 1.925 2.062) 3.341 7.560 ( -0.100 5.607 1.137) 5.722 7.720 ( 9.610 4.396 -0.671) 10.589 8.199 ( -13.323 7.659 4.111) 15.908 8.243 ( 2.984 -8.864 10.759) 14.256 8.668 ( -0.061 -13.053 9.331) 16.045 8.857 ( -3.276 -0.208 2.185) 3.943 9.006 ( 7.417 -0.602 -5.901) 9.497 9.512 ( 5.827 6.043 -3.704) 9.176 9.646 ( 2.240 -3.219 0.723) 3.987 10.207 ( -6.855 -6.593 3.270) 10.058 10.540 ( -0.106 -0.045 -7.979) 7.980 10.585 ( 5.608 -0.780 0.736) 5.709 10.848 ( -2.586 10.245 -8.517) 13.572 11.566 ( -7.240 -18.937 4.648) 20.800 12.129 ( 7.113 9.092 4.640) 12.441 12.305 ( -1.528 -8.625 4.252) 9.737 12.824 ( -3.350 13.753 -5.580) 15.215 12.988 ( -0.427 5.955 4.596) 7.535 13.159 ( 1.270 4.148 -5.534) 7.032 13.818 ( 3.157 -1.816 -13.104) 13.601 13.989 ( -0.589 2.535 -12.720) 12.983 14.481 ( 2.506 -10.650 -3.456) 11.474 14.589 ( 1.254 -2.407 -0.239) 2.724 15.448 ( 1.606 -5.581 -3.378) 6.718 15.945 ( -8.478 -11.354 -0.102) 14.171 16.373 ( 3.202 3.122 16.179) 16.786 16.840 ( -2.750 14.246 -2.558) 14.733 17.124 ( 3.613 -10.066 -1.502) 10.799 17.699 ( -5.437 1.265 5.754) 8.017 18.190 ( 7.342 -2.609 -1.225) 7.887 18.709 ( -1.160 3.879 -3.658) 5.456 18.906 ( 1.780 5.697 -7.737) 9.772 19.838 ( -4.738 9.206 -15.884) 18.960 20.978 ( 3.786 4.920 18.744) 19.746 21.184 ( -4.156 -2.134 14.935) 15.648 22.010 ( 3.397 -9.261 5.923) 11.506 22.702 ( -1.791 -6.163 -9.527) 11.487 ======================= Grid point 162 (83/165) ======================= q-point: (-0.12 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 4.633 18.401 -1.387) 19.026 2.996 ( -4.957 23.123 20.980) 31.613 3.587 ( 0.619 -4.282 6.315) 7.655 3.694 ( -1.250 2.187 4.384) 5.056 4.072 ( -6.863 -3.686 -2.508) 8.184 4.156 ( -6.240 0.239 3.951) 7.390 4.414 ( -3.878 -23.773 8.778) 25.637 5.192 ( 19.681 10.863 11.326) 25.172 5.403 ( -4.869 5.242 -6.950) 9.975 5.562 ( -12.017 5.170 6.910) 14.795 5.923 ( 1.990 -2.917 -6.203) 7.138 5.954 ( 6.441 4.713 1.478) 8.117 6.384 ( 5.021 2.178 8.485) 10.097 6.494 ( 11.049 12.098 7.423) 17.987 6.743 ( -5.812 -6.388 4.637) 9.803 7.029 ( -8.003 3.008 0.323) 8.555 7.205 ( 6.984 -1.926 -1.277) 7.356 7.490 ( -2.184 1.665 0.599) 2.811 7.739 ( 7.322 7.006 3.498) 10.721 7.919 ( -20.936 -4.029 2.962) 21.525 8.391 ( 7.294 0.236 9.261) 11.791 8.714 ( -6.217 -1.272 0.984) 6.422 8.993 ( -1.902 -14.793 9.837) 17.866 9.079 ( 8.968 6.566 -6.040) 12.650 9.453 ( -4.423 2.959 0.610) 5.357 9.636 ( 7.479 8.433 -3.971) 11.951 10.201 ( -4.044 -2.970 -2.611) 5.656 10.520 ( 2.957 8.983 5.317) 10.850 10.696 ( -2.960 1.997 -6.591) 7.496 10.728 ( 0.448 -13.003 -7.955) 15.250 11.643 ( -5.988 -1.532 2.577) 6.696 12.139 ( 5.970 2.393 6.269) 8.982 12.361 ( 1.135 3.186 2.718) 4.339 12.653 ( -6.438 -2.782 -5.606) 8.978 12.837 ( 0.633 9.313 7.032) 11.687 13.203 ( 2.180 -4.185 -3.337) 5.779 13.872 ( 3.235 -0.668 -11.170) 11.649 13.942 ( -0.578 1.616 -14.140) 14.244 14.589 ( -0.046 2.801 0.450) 2.837 14.672 ( 4.091 -6.924 -5.151) 9.551 15.632 ( 3.986 -13.924 -5.775) 15.593 15.926 ( -9.205 -1.628 -8.023) 12.319 16.360 ( 3.442 6.569 18.982) 20.379 16.663 ( -3.879 1.916 1.834) 4.699 17.281 ( 1.466 -2.637 1.201) 3.248 17.628 ( -2.351 -0.402 7.651) 8.014 18.298 ( 5.828 -1.536 -1.005) 6.110 18.600 ( -6.639 4.766 -6.144) 10.225 18.890 ( 11.807 4.904 -11.207) 17.001 19.592 ( -6.852 12.131 -14.821) 20.342 20.917 ( 0.118 5.800 16.084) 17.098 21.232 ( -0.628 -5.546 15.408) 16.388 22.180 ( 4.198 -6.250 4.807) 8.932 22.745 ( -5.163 -4.775 -8.542) 11.064 ======================= Grid point 167 (84/165) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( -6.568 -0.000 -11.171) 12.959 3.266 ( 0.471 0.000 -11.724) 11.733 3.315 ( 0.970 0.000 7.602) 7.663 3.796 ( -15.213 -0.000 10.204) 18.319 4.143 ( -4.986 -0.000 26.592) 27.055 4.632 ( -6.096 -0.000 0.523) 6.118 5.140 ( 3.704 0.000 -7.400) 8.275 5.302 ( -9.440 -0.000 1.487) 9.556 5.576 ( 6.752 0.000 -3.594) 7.649 5.583 ( 5.420 0.000 4.080) 6.783 5.754 ( 17.945 0.000 10.737) 20.911 5.967 ( -18.603 -0.000 -1.883) 18.698 6.452 ( 5.992 0.000 14.461) 15.653 6.573 ( -2.248 -0.000 9.984) 10.234 6.691 ( -1.676 -0.000 -2.235) 2.793 6.926 ( -1.634 -0.000 6.362) 6.568 7.435 ( 1.028 0.000 4.314) 4.435 7.611 ( 6.053 0.000 5.619) 8.259 7.629 ( 0.899 0.000 -1.432) 1.691 8.043 ( -4.056 -0.000 -5.494) 6.829 8.402 ( 4.200 0.000 12.082) 12.791 8.670 ( -2.601 -0.000 -7.995) 8.407 8.799 ( 8.031 0.000 14.581) 16.646 9.109 ( 16.204 0.000 2.461) 16.390 9.189 ( -6.062 -0.000 0.946) 6.136 9.642 ( 1.823 0.000 -0.062) 1.824 10.340 ( -10.843 -0.000 0.630) 10.861 10.342 ( 9.441 0.000 2.379) 9.736 10.389 ( -3.082 -0.000 -2.955) 4.269 10.850 ( 2.106 0.000 -2.357) 3.161 11.483 ( -0.855 -0.000 -4.258) 4.342 11.969 ( -3.913 -0.000 0.669) 3.970 12.373 ( 3.427 0.000 1.770) 3.857 12.786 ( 10.540 0.000 -11.475) 15.581 13.208 ( 1.290 0.000 -4.745) 4.917 13.620 ( 4.764 0.000 -16.516) 17.190 13.802 ( -3.586 -0.000 -12.670) 13.167 13.996 ( -3.263 -0.000 2.034) 3.845 14.301 ( 3.519 0.000 2.366) 4.241 14.585 ( -14.504 -0.000 -0.973) 14.536 15.253 ( 3.228 0.000 14.892) 15.238 15.541 ( -2.474 -0.000 15.185) 15.386 16.355 ( -6.990 -0.000 -7.764) 10.447 16.790 ( 0.632 0.000 -0.532) 0.827 17.568 ( 4.047 0.000 -16.676) 17.160 17.693 ( -8.487 -0.000 1.088) 8.557 17.946 ( 12.105 0.000 8.293) 14.673 18.783 ( 0.457 0.000 10.428) 10.438 19.032 ( 0.541 0.000 -5.825) 5.850 20.026 ( -1.005 -0.000 -16.333) 16.364 21.025 ( 8.807 0.000 12.912) 15.629 21.409 ( -11.268 -0.000 18.183) 21.391 21.570 ( 4.188 0.000 5.047) 6.558 22.525 ( -1.441 -0.000 -8.127) 8.254 ======================= Grid point 168 (85/165) ======================= q-point: (-0.38 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( -11.458 -5.476 -4.493) 13.471 3.191 ( -5.112 1.536 -2.772) 6.015 3.430 ( 2.560 -8.457 0.094) 8.836 3.729 ( -5.303 -6.072 3.880) 8.947 4.023 ( -9.645 4.518 27.766) 29.738 4.512 ( -7.526 6.099 0.188) 9.689 4.952 ( -16.179 18.102 -2.215) 24.379 5.248 ( 3.501 -4.219 -10.192) 11.573 5.560 ( -8.139 7.780 4.130) 11.993 5.644 ( 2.424 4.273 6.534) 8.175 5.751 ( 6.576 -5.598 4.855) 9.908 6.058 ( 13.946 -3.149 1.855) 14.417 6.499 ( -17.399 -11.503 9.816) 23.052 6.541 ( -3.607 -2.072 3.037) 5.151 6.563 ( -2.591 13.039 5.365) 14.336 7.064 ( 10.724 -9.204 13.769) 19.731 7.323 ( -4.951 9.255 -5.045) 11.645 7.723 ( 2.561 -6.864 -2.791) 7.840 7.749 ( 6.859 -6.848 13.162) 16.346 7.954 ( 3.467 7.818 -0.250) 8.556 8.403 ( -1.577 2.784 7.717) 8.353 8.612 ( -5.180 1.585 -6.597) 8.536 8.902 ( 7.372 2.315 12.348) 14.566 9.026 ( -2.450 7.556 -1.795) 8.144 9.358 ( 2.236 -9.423 6.446) 11.634 9.718 ( 16.948 3.557 -1.924) 17.424 10.185 ( -6.092 3.535 -3.270) 7.766 10.413 ( -3.697 -8.455 -0.222) 9.231 10.497 ( 6.048 -4.149 -0.370) 7.343 10.937 ( 0.277 -9.180 -4.101) 10.058 11.354 ( -2.264 12.107 -2.538) 12.575 12.003 ( -3.197 -8.950 -0.719) 9.531 12.384 ( 5.763 5.724 4.604) 9.337 12.924 ( 7.633 -2.909 -7.445) 11.053 13.219 ( 0.762 0.011 -4.858) 4.917 13.501 ( -6.088 17.113 -8.800) 20.183 13.776 ( 2.943 -0.474 -15.890) 16.167 13.968 ( -4.703 -3.493 -4.105) 7.153 14.301 ( 3.646 1.698 1.938) 4.464 14.530 ( -1.637 -3.347 -0.754) 3.801 15.303 ( 0.749 -2.389 11.954) 12.213 15.607 ( -1.614 -9.132 11.745) 14.965 16.331 ( -2.364 -4.685 -1.203) 5.384 16.823 ( 0.930 -3.578 -2.480) 4.451 17.398 ( -1.943 15.294 -8.179) 17.452 17.683 ( -5.923 -3.497 -1.751) 7.097 18.103 ( 9.238 -2.512 5.731) 11.157 18.781 ( -0.483 1.109 6.823) 6.930 19.007 ( -1.639 1.335 -6.702) 7.028 19.969 ( -6.647 0.747 -17.101) 18.362 21.094 ( 4.149 1.482 13.087) 13.808 21.273 ( -1.794 7.185 17.515) 19.016 21.710 ( 4.760 -9.107 7.458) 12.697 22.529 ( -2.416 -3.900 -8.683) 9.821 ======================= Grid point 169 (86/165) ======================= q-point: (-0.25 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( -8.364 -11.489 0.786) 14.233 3.134 ( -3.011 -0.506 0.024) 3.053 3.600 ( 1.585 -9.801 1.085) 9.988 3.746 ( -14.174 -3.861 8.443) 16.944 3.902 ( 1.208 -0.223 14.858) 14.909 4.222 ( -6.045 20.335 -2.967) 21.421 4.474 ( -16.641 14.410 4.488) 22.465 5.340 ( -5.607 0.402 6.452) 8.557 5.360 ( 0.369 -2.058 -2.159) 3.006 5.695 ( -0.642 -4.711 1.758) 5.069 5.824 ( 3.809 4.458 1.511) 6.055 6.216 ( -9.201 0.317 17.242) 19.546 6.340 ( 12.507 9.180 -2.025) 15.646 6.490 ( -13.762 -10.233 -1.291) 17.199 6.592 ( 2.978 -7.107 4.764) 9.059 7.129 ( -5.574 4.786 -4.326) 8.526 7.265 ( 9.047 2.471 7.173) 11.807 7.720 ( 1.933 9.681 -0.839) 9.908 7.941 ( -6.879 -6.292 11.358) 14.694 8.005 ( 13.002 0.551 4.913) 13.911 8.291 ( 0.431 1.954 6.587) 6.884 8.543 ( -5.045 -2.097 2.279) 5.920 8.844 ( -4.286 4.862 2.924) 7.110 8.986 ( 2.116 -1.451 0.444) 2.604 9.466 ( -3.544 -6.051 9.419) 11.743 9.878 ( 16.031 4.377 -3.107) 16.906 10.100 ( -0.350 2.671 -6.840) 7.351 10.482 ( -1.245 -4.843 -9.105) 10.388 10.611 ( 3.173 -3.240 -0.908) 4.625 11.051 ( 2.827 10.234 -5.278) 11.856 11.214 ( -4.707 -13.187 4.233) 14.627 12.117 ( -2.477 -9.481 0.069) 9.799 12.353 ( 6.323 7.364 7.282) 12.134 13.009 ( 3.698 1.493 -1.746) 4.353 13.078 ( -7.747 21.609 -2.598) 23.102 13.220 ( -0.391 1.155 -6.072) 6.193 13.824 ( 3.135 -1.265 -15.713) 16.072 13.973 ( -2.781 -2.343 -11.212) 11.787 14.382 ( 3.988 -5.773 0.757) 7.057 14.597 ( 5.615 -1.909 -1.036) 6.021 15.376 ( -0.017 -6.393 5.290) 8.298 15.713 ( -3.483 -7.473 4.094) 9.206 16.411 ( 2.699 -3.437 12.085) 12.851 16.907 ( -1.287 -2.582 -6.331) 6.957 17.157 ( 1.372 9.297 -2.541) 9.735 17.632 ( -6.847 -0.483 1.192) 6.967 18.232 ( 5.803 -2.633 3.404) 7.225 18.719 ( -4.527 3.677 -1.237) 5.962 18.985 ( 2.406 0.745 -6.483) 6.956 19.823 ( -11.994 3.121 -18.085) 21.924 21.108 ( -4.443 -1.809 13.059) 13.913 21.168 ( 7.247 10.172 19.401) 23.074 21.936 ( 7.589 -9.656 7.285) 14.279 22.568 ( -3.858 -5.953 -9.043) 11.493 ======================= Grid point 170 (87/165) ======================= q-point: (-0.12 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( -2.213 1.996 -6.780) 7.406 3.151 ( 0.954 -2.208 10.274) 10.552 3.510 ( -6.306 8.386 7.962) 13.172 3.796 ( -0.087 -4.601 5.000) 6.795 3.892 ( -12.107 -8.690 11.167) 18.623 3.983 ( -5.404 4.048 -4.155) 7.928 4.250 ( 6.654 -0.229 9.464) 11.572 5.293 ( -7.276 -3.544 10.765) 13.468 5.357 ( -8.058 1.958 -2.560) 8.679 5.659 ( 4.337 9.175 9.095) 13.627 5.856 ( -1.279 -9.256 -6.276) 11.256 6.082 ( -0.933 3.461 7.675) 8.471 6.386 ( 4.700 1.261 0.939) 4.956 6.492 ( -12.160 -9.730 -0.552) 15.583 6.814 ( 12.829 -4.593 5.333) 14.633 6.998 ( -5.785 5.136 -3.182) 8.365 7.300 ( 9.442 4.540 6.092) 12.119 7.568 ( -1.443 9.060 1.247) 9.258 7.690 ( -18.259 9.894 -3.072) 20.993 8.025 ( 8.820 10.815 9.685) 16.987 8.451 ( -1.089 1.936 7.346) 7.675 8.601 ( 4.773 -13.963 10.705) 18.231 8.783 ( -3.487 -5.076 2.947) 6.827 9.057 ( -3.850 -7.929 -3.158) 9.363 9.461 ( -2.288 2.823 8.640) 9.373 9.932 ( 9.170 7.036 -4.358) 12.353 10.074 ( -0.569 -0.556 -5.590) 5.646 10.564 ( 2.233 -5.532 -14.117) 15.326 10.671 ( 1.379 -2.397 -1.965) 3.392 10.826 ( 1.901 18.144 0.106) 18.243 11.450 ( -2.197 -15.574 3.050) 16.021 12.208 ( 0.345 -3.679 2.647) 4.545 12.364 ( 4.456 -1.427 7.407) 8.761 12.690 ( -5.384 16.267 -3.410) 17.471 12.970 ( -0.598 7.034 3.928) 8.079 13.202 ( 0.999 0.752 -5.564) 5.703 13.874 ( 2.017 -2.052 -14.787) 15.064 13.949 ( -1.723 1.156 -13.001) 13.166 14.540 ( 2.007 -8.143 1.533) 8.525 14.687 ( 5.684 -0.184 -4.800) 7.442 15.511 ( 3.909 -8.680 -2.164) 9.763 15.754 ( -6.154 -5.360 -0.423) 8.171 16.481 ( 5.611 1.558 16.787) 17.769 16.729 ( -6.128 11.079 -3.361) 13.099 17.254 ( 4.710 -5.803 2.051) 7.750 17.571 ( -4.003 -2.263 4.481) 6.420 18.337 ( 5.300 -2.601 0.638) 5.938 18.574 ( -8.151 4.590 -5.354) 10.779 19.038 ( 7.370 0.097 -10.117) 12.517 19.589 ( -14.123 4.676 -16.908) 22.522 21.023 ( -2.060 5.742 13.773) 15.064 21.191 ( 4.025 -0.426 19.691) 20.102 22.162 ( 8.396 -6.145 5.517) 11.777 22.596 ( -5.759 -5.484 -9.040) 12.040 ======================= Grid point 176 (88/165) ======================= q-point: (-0.38 -0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( -16.829 -0.000 -2.695) 17.044 2.990 ( -22.387 -0.000 8.391) 23.908 3.422 ( 6.003 0.000 1.974) 6.319 3.742 ( 9.448 0.000 -7.217) 11.889 3.971 ( -6.960 -0.000 31.160) 31.928 4.439 ( -10.605 -0.000 5.331) 11.870 5.015 ( -7.901 -0.000 -8.208) 11.393 5.174 ( -7.662 -0.000 -17.522) 19.124 5.379 ( -11.165 -0.000 -0.430) 11.173 5.749 ( -15.061 -0.000 14.327) 20.786 5.787 ( 8.153 0.000 3.026) 8.696 6.115 ( 5.023 0.000 3.333) 6.028 6.149 ( -17.263 -0.000 21.671) 27.706 6.517 ( 2.581 0.000 -0.848) 2.717 6.793 ( 9.138 0.000 11.383) 14.597 7.051 ( 8.872 0.000 4.148) 9.794 7.422 ( 0.228 0.000 1.827) 1.841 7.504 ( -8.321 -0.000 -0.564) 8.340 7.897 ( 12.297 0.000 9.782) 15.713 7.988 ( -2.854 -0.000 -4.091) 4.988 8.425 ( 1.347 0.000 3.522) 3.771 8.545 ( -7.808 -0.000 -9.560) 12.344 9.031 ( 2.030 0.000 8.780) 9.012 9.043 ( -5.757 -0.000 -3.214) 6.593 9.332 ( 6.654 0.000 14.962) 16.375 9.931 ( 5.669 0.000 5.851) 8.147 10.208 ( 12.982 0.000 -12.847) 18.264 10.268 ( -4.690 -0.000 2.142) 5.156 10.534 ( 4.046 0.000 2.901) 4.978 10.877 ( 0.439 0.000 -9.311) 9.321 11.441 ( -2.195 -0.000 -3.680) 4.285 11.897 ( -0.404 -0.000 -1.824) 1.868 12.502 ( 5.556 0.000 8.255) 9.951 12.967 ( 5.018 0.000 -8.596) 9.954 13.205 ( -1.637 -0.000 -7.430) 7.608 13.610 ( -3.934 -0.000 -14.108) 14.646 13.800 ( 3.694 0.000 -17.723) 18.103 13.852 ( -6.915 -0.000 4.216) 8.099 14.393 ( 3.760 0.000 4.901) 6.177 14.466 ( 4.187 0.000 -0.971) 4.298 15.387 ( 6.216 0.000 14.807) 16.059 15.461 ( -4.965 -0.000 14.288) 15.126 16.275 ( 1.156 0.000 -7.463) 7.552 16.815 ( 1.891 0.000 -0.393) 1.932 17.469 ( -10.276 -0.000 1.761) 10.426 17.570 ( -2.944 -0.000 -13.931) 14.239 18.177 ( 5.706 0.000 8.107) 9.914 18.801 ( 1.198 0.000 7.826) 7.917 18.968 ( -4.865 -0.000 -7.405) 8.860 19.850 ( -12.646 -0.000 -19.234) 23.019 21.080 ( -4.788 -0.000 11.845) 12.777 21.454 ( 12.980 0.000 19.464) 23.395 21.675 ( 3.862 0.000 6.010) 7.144 22.460 ( -3.229 -0.000 -7.707) 8.356 ======================= Grid point 177 (89/165) ======================= q-point: (-0.25 -0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( -15.080 -12.269 3.588) 19.769 2.829 ( -22.090 -14.841 13.872) 30.011 3.500 ( 3.407 -1.354 0.911) 3.778 3.802 ( 4.669 7.474 6.141) 10.742 3.944 ( 4.790 0.050 10.672) 11.698 4.295 ( -9.628 3.563 7.494) 12.711 4.629 ( -9.628 23.825 -7.635) 26.807 5.161 ( -13.586 -7.127 -1.769) 15.444 5.343 ( -4.148 -1.241 0.728) 4.390 5.487 ( -20.899 -10.665 4.004) 23.802 5.831 ( -10.433 1.215 11.330) 15.450 6.062 ( 0.961 0.482 18.765) 18.796 6.217 ( -2.006 -7.920 -2.873) 8.661 6.595 ( 6.708 -1.756 2.266) 7.295 6.758 ( 16.089 14.060 2.390) 21.500 7.177 ( -4.674 6.958 -8.137) 11.682 7.314 ( 5.522 -5.543 4.677) 9.115 7.675 ( -0.935 -13.775 10.090) 17.100 7.889 ( -0.410 5.410 2.475) 5.963 8.067 ( 2.511 -5.520 5.795) 8.388 8.348 ( -5.856 7.392 -5.213) 10.775 8.480 ( 1.811 0.017 0.975) 2.057 8.907 ( -6.174 6.412 -1.877) 9.097 9.012 ( -2.593 0.235 5.762) 6.323 9.407 ( 4.820 1.746 13.811) 14.732 9.898 ( -6.851 -1.172 1.428) 7.096 10.325 ( -0.376 -9.764 -5.729) 11.327 10.399 ( 20.561 7.713 -10.022) 24.139 10.588 ( 1.023 -2.914 1.886) 3.619 10.943 ( 0.525 -9.468 -7.173) 11.890 11.309 ( -1.180 11.762 -1.113) 11.873 11.976 ( 1.349 -7.355 -2.494) 7.882 12.520 ( 4.350 5.466 10.868) 12.919 13.031 ( 2.323 -1.713 -4.555) 5.393 13.170 ( -5.088 0.542 -9.544) 10.830 13.374 ( -1.508 19.328 -4.796) 19.971 13.804 ( -1.749 -3.081 -11.832) 12.351 13.889 ( 0.825 -3.704 -10.725) 11.377 14.408 ( 4.406 1.406 3.639) 5.884 14.630 ( 8.545 -5.828 -0.121) 10.344 15.311 ( -1.300 1.464 12.003) 12.162 15.607 ( 1.460 -7.846 10.051) 12.834 16.371 ( 5.669 -7.053 1.500) 9.172 16.862 ( 2.080 -1.987 -2.953) 4.123 17.271 ( -6.922 8.011 -1.073) 10.641 17.528 ( -7.385 -1.727 -6.287) 9.852 18.245 ( 2.785 -2.380 5.548) 6.648 18.744 ( -3.696 6.618 0.192) 7.582 18.966 ( -0.099 -4.938 -4.132) 6.440 19.652 ( -19.046 0.296 -21.258) 28.544 21.034 ( -4.884 -1.121 11.970) 12.976 21.463 ( 9.789 13.635 17.290) 24.097 21.885 ( 10.050 -11.948 8.234) 17.651 22.443 ( -3.853 -3.227 -6.930) 8.560 ======================= Grid point 178 (90/165) ======================= q-point: (-0.12 -0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( -15.201 -19.697 -2.638) 25.020 2.950 ( -9.098 -23.393 21.170) 32.835 3.510 ( -3.037 0.027 4.406) 5.352 3.712 ( 2.975 9.601 10.663) 14.654 3.945 ( 1.772 6.876 -4.111) 8.205 4.092 ( -2.854 12.424 5.984) 14.083 4.350 ( 4.802 3.238 5.925) 8.286 5.095 ( -16.888 -12.051 14.910) 25.549 5.253 ( -14.182 0.474 2.816) 14.466 5.558 ( -12.037 -13.879 0.816) 18.390 5.662 ( -6.415 -1.361 4.254) 7.817 6.069 ( 2.558 2.846 14.933) 15.415 6.302 ( -0.860 -6.963 -9.099) 11.490 6.629 ( 10.289 9.755 3.458) 14.594 6.850 ( 7.483 0.761 -3.953) 8.497 7.036 ( 1.967 3.651 -4.278) 5.958 7.402 ( -1.346 0.461 3.587) 3.859 7.703 ( -0.153 6.346 4.153) 7.586 7.759 ( -4.411 11.421 -5.022) 13.234 8.069 ( -7.103 -2.397 2.376) 7.864 8.380 ( -3.240 -9.665 6.611) 12.150 8.504 ( 4.888 -1.560 4.354) 6.729 8.794 ( 0.557 0.022 4.502) 4.536 8.966 ( -1.410 3.088 6.754) 7.559 9.440 ( 0.864 -1.742 10.753) 10.928 9.850 ( -7.059 -3.790 -1.518) 8.155 10.391 ( 11.916 16.948 -11.897) 23.891 10.476 ( 0.964 -9.319 -12.727) 15.804 10.639 ( -0.256 -2.812 -2.094) 3.515 11.103 ( -0.569 10.173 4.476) 11.129 11.182 ( 3.609 -13.973 -2.066) 14.579 12.109 ( 1.758 -7.475 -1.852) 7.899 12.460 ( 1.299 6.773 13.768) 15.398 12.904 ( -5.564 17.852 -3.396) 19.005 13.063 ( 1.022 3.517 -0.243) 3.670 13.219 ( 0.699 2.993 -6.071) 6.804 13.838 ( -1.349 -3.579 -14.385) 14.885 13.928 ( 0.518 -0.818 -14.018) 14.051 14.463 ( 2.000 -3.861 3.436) 5.542 14.771 ( 7.422 0.825 -3.658) 8.315 15.400 ( 2.140 -11.189 7.135) 13.441 15.683 ( 1.184 -0.518 1.978) 2.362 16.570 ( 10.637 -3.329 13.123) 17.218 16.788 ( -8.423 8.113 -5.644) 12.986 17.224 ( 4.007 -4.894 2.627) 6.849 17.469 ( -6.242 -3.392 -1.113) 7.191 18.334 ( 3.209 -4.528 1.555) 5.764 18.566 ( -6.948 7.063 -3.932) 10.659 19.060 ( 1.929 -4.114 -8.353) 9.509 19.390 ( -21.841 -1.449 -19.366) 29.226 21.004 ( -4.393 -1.173 10.672) 11.600 21.370 ( 6.555 11.228 20.857) 24.577 22.191 ( 13.250 -7.629 6.236) 16.512 22.448 ( -4.828 -4.571 -7.536) 10.050 ======================= Grid point 185 (91/165) ======================= q-point: (-0.25 -0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -13.405 -0.000 15.130) 20.214 2.409 ( -25.013 -0.000 24.423) 34.959 3.525 ( -0.131 -0.000 0.399) 0.420 3.968 ( 5.317 0.000 22.391) 23.014 4.015 ( 9.915 0.000 -12.893) 16.264 4.230 ( -3.601 -0.000 7.557) 8.371 4.725 ( -30.520 -0.000 15.619) 34.284 4.911 ( -2.350 -0.000 -10.333) 10.597 4.982 ( -26.856 -0.000 8.470) 28.160 5.260 ( -6.842 -0.000 0.255) 6.847 5.843 ( -2.262 -0.000 -5.292) 5.755 6.062 ( -0.453 -0.000 16.036) 16.042 6.184 ( 4.241 0.000 1.239) 4.418 6.678 ( 9.004 0.000 3.729) 9.745 7.077 ( 11.142 0.000 7.332) 13.338 7.137 ( 1.453 0.000 -11.376) 11.468 7.330 ( -5.039 -0.000 -3.518) 6.145 7.577 ( 9.289 0.000 10.471) 13.997 7.888 ( -3.448 -0.000 4.603) 5.751 8.061 ( 2.132 0.000 11.715) 11.908 8.284 ( -12.938 -0.000 -10.287) 16.529 8.553 ( 3.742 0.000 8.771) 9.536 8.877 ( -8.809 -0.000 -4.214) 9.765 8.922 ( -2.900 -0.000 -2.066) 3.561 9.559 ( 7.131 0.000 10.534) 12.721 9.793 ( -7.685 -0.000 -0.393) 7.695 10.175 ( -3.770 -0.000 -0.906) 3.878 10.557 ( -1.176 -0.000 4.361) 4.517 10.732 ( 18.093 0.000 -13.097) 22.336 10.871 ( 0.232 0.000 -10.533) 10.536 11.384 ( -2.212 -0.000 -0.235) 2.224 11.944 ( 3.663 0.000 -2.843) 4.637 12.613 ( 2.497 0.000 13.151) 13.386 13.022 ( -0.021 -0.000 -5.619) 5.619 13.128 ( -2.543 -0.000 -10.868) 11.162 13.524 ( -1.402 -0.000 -14.359) 14.427 13.781 ( 0.688 0.000 7.739) 7.769 13.849 ( 1.356 0.000 -20.242) 20.287 14.472 ( 1.956 0.000 7.917) 8.155 14.684 ( 12.436 0.000 -1.495) 12.526 15.349 ( -4.754 -0.000 12.192) 13.086 15.550 ( 6.797 0.000 16.866) 18.184 16.383 ( 7.269 0.000 -4.106) 8.348 16.902 ( 5.769 0.000 -0.841) 5.830 17.226 ( -9.280 -0.000 3.206) 9.818 17.406 ( -9.719 -0.000 -11.926) 15.384 18.245 ( 0.773 0.000 4.921) 4.982 18.829 ( -5.560 -0.000 -6.957) 8.905 18.839 ( 0.455 0.000 3.570) 3.599 19.369 ( -27.099 -0.000 -23.960) 36.172 20.972 ( -4.708 -0.000 11.311) 12.252 21.739 ( 0.596 0.000 3.785) 3.832 21.882 ( 21.207 0.000 18.921) 28.421 22.382 ( -2.295 -0.000 -3.540) 4.219 ======================= Grid point 186 (92/165) ======================= q-point: (-0.12 -0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( -16.457 -9.010 16.829) 25.204 2.426 ( -8.409 -28.389 34.170) 45.214 3.457 ( -11.505 -0.751 0.624) 11.546 3.929 ( 4.373 10.475 8.739) 14.326 4.088 ( 0.157 6.718 -8.512) 10.845 4.189 ( 0.412 2.310 16.115) 16.285 4.418 ( -16.142 -4.571 16.586) 23.591 4.627 ( -7.627 2.089 15.305) 17.227 5.109 ( -7.772 -7.371 -8.166) 13.469 5.209 ( -7.588 -11.382 0.034) 13.680 5.703 ( -3.330 9.181 -2.185) 10.007 6.107 ( -1.138 -3.396 9.447) 10.103 6.261 ( 7.811 -1.874 -4.920) 9.419 6.777 ( 6.091 0.213 4.659) 7.671 7.077 ( 2.469 15.117 0.553) 15.327 7.145 ( 8.906 1.835 -6.668) 11.276 7.331 ( -0.988 -6.100 -4.355) 7.561 7.680 ( -1.064 -0.582 0.437) 1.289 7.846 ( -2.551 5.451 1.529) 6.210 8.054 ( -5.059 5.738 3.881) 8.578 8.208 ( 3.167 -11.443 8.473) 14.587 8.587 ( -1.165 4.914 4.194) 6.565 8.642 ( -13.086 -2.584 5.232) 14.328 9.038 ( 7.248 -3.975 -0.843) 8.310 9.516 ( 0.853 7.580 5.580) 9.451 9.716 ( -7.351 -1.203 -0.606) 7.473 10.274 ( -2.532 -14.587 -8.967) 17.309 10.572 ( -1.868 -2.413 0.978) 3.205 10.736 ( 4.297 12.652 -10.833) 17.202 10.957 ( 0.415 -9.042 -5.861) 10.783 11.303 ( 0.571 6.716 2.873) 7.327 12.039 ( 3.156 -5.669 -1.577) 6.677 12.582 ( -0.137 6.506 14.708) 16.083 13.021 ( -5.623 0.836 -9.760) 11.295 13.065 ( 0.575 4.089 -3.750) 5.578 13.396 ( 2.850 13.305 -6.628) 15.135 13.762 ( -0.089 -1.394 -7.692) 7.818 13.919 ( 1.750 -2.758 -14.024) 14.400 14.472 ( 0.054 1.811 6.100) 6.364 14.870 ( 9.976 -1.435 -2.662) 10.424 15.286 ( -0.259 -3.424 12.236) 12.708 15.711 ( 7.164 -3.224 8.816) 11.809 16.590 ( 10.558 -12.868 3.239) 16.957 16.856 ( -1.553 11.850 -1.626) 12.061 17.199 ( 3.342 -4.611 4.164) 7.055 17.307 ( -10.470 -4.501 -7.506) 13.647 18.287 ( 0.868 -4.141 1.938) 4.654 18.625 ( -5.537 10.282 -3.487) 12.187 18.941 ( -12.510 -4.907 -11.833) 17.905 19.032 ( -21.713 -7.529 -14.639) 27.248 20.933 ( -4.423 -1.355 10.299) 11.290 21.624 ( 1.872 11.554 10.564) 15.767 22.255 ( 20.658 -9.084 9.252) 24.390 22.365 ( -1.755 -0.324 -1.356) 2.241 ======================= Grid point 194 (93/165) ======================= q-point: (-0.12 -0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -10.780 -0.000 40.364) 41.779 2.009 ( 3.865 0.000 40.017) 40.204 3.138 ( -36.351 -0.000 13.097) 38.638 3.968 ( -16.124 -0.000 24.997) 29.746 4.110 ( 3.701 0.000 -2.554) 4.497 4.233 ( 6.920 0.000 15.267) 16.762 4.259 ( -1.966 -0.000 -3.768) 4.250 4.783 ( 3.499 0.000 -2.766) 4.460 4.920 ( 6.276 0.000 -9.495) 11.382 5.093 ( -4.132 -0.000 7.558) 8.614 5.719 ( -8.442 -0.000 -4.109) 9.389 6.037 ( -2.021 -0.000 0.982) 2.247 6.349 ( 8.025 0.000 -3.369) 8.703 6.827 ( 2.181 0.000 5.089) 5.537 7.222 ( 5.673 0.000 -4.248) 7.087 7.287 ( 4.026 0.000 -6.978) 8.056 7.310 ( 7.093 0.000 -4.851) 8.593 7.706 ( 0.407 0.000 -2.065) 2.105 7.872 ( -4.904 -0.000 -2.240) 5.392 8.022 ( 0.380 0.000 5.550) 5.563 8.152 ( 0.413 0.000 7.770) 7.781 8.499 ( 5.197 0.000 27.471) 27.958 8.612 ( -12.838 -0.000 0.565) 12.851 9.064 ( 8.204 0.000 -8.427) 11.761 9.500 ( -8.888 -0.000 -3.973) 9.736 9.727 ( -2.345 -0.000 -0.961) 2.534 10.047 ( -6.609 -0.000 -8.637) 10.876 10.552 ( 1.089 0.000 6.856) 6.942 10.804 ( -12.837 -0.000 -10.709) 16.718 10.868 ( -0.293 -0.000 -8.825) 8.830 11.350 ( -0.935 -0.000 4.416) 4.514 12.021 ( 1.764 0.000 1.294) 2.188 12.636 ( -0.803 -0.000 13.203) 13.227 12.943 ( -5.531 -0.000 -9.926) 11.364 13.112 ( 0.265 0.000 -6.709) 6.715 13.529 ( 2.451 0.000 -14.081) 14.293 13.836 ( -0.817 -0.000 -21.831) 21.846 13.857 ( 4.029 0.000 6.822) 7.923 14.481 ( -1.974 -0.000 9.322) 9.529 14.988 ( 12.377 0.000 -2.414) 12.610 15.282 ( -1.305 -0.000 10.019) 10.103 15.822 ( 16.722 0.000 14.438) 22.092 16.522 ( 2.326 0.000 0.002) 2.326 16.969 ( -12.031 -0.000 -12.073) 17.044 17.133 ( 3.658 0.000 6.006) 7.032 17.226 ( 7.442 0.000 3.966) 8.433 18.261 ( 0.586 0.000 1.163) 1.302 18.503 ( -39.771 -0.000 -17.911) 43.618 18.731 ( -3.994 -0.000 -5.399) 6.716 18.786 ( -5.321 -0.000 -1.566) 5.546 20.874 ( -4.215 -0.000 9.632) 10.514 21.695 ( -4.117 -0.000 -1.051) 4.249 22.367 ( 1.003 0.000 2.667) 2.849 22.487 ( 27.322 0.000 12.177) 29.912 ======================= Grid point 195 (94/165) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( -27.804 -0.000 22.898) 36.019 2.808 ( 9.967 0.000 25.243) 27.139 3.133 ( 14.736 0.000 24.488) 28.580 4.066 ( -2.322 -0.000 6.133) 6.558 4.148 ( 3.571 0.000 12.823) 13.311 4.241 ( 6.459 0.000 -3.866) 7.528 4.618 ( -1.297 -0.000 -1.622) 2.077 4.873 ( -5.824 -0.000 37.519) 37.968 4.943 ( 9.581 0.000 -9.820) 13.719 5.298 ( -9.012 -0.000 -13.980) 16.633 5.316 ( 2.482 0.000 -6.094) 6.580 5.988 ( 7.350 0.000 5.699) 9.300 6.322 ( -5.363 -0.000 -3.523) 6.416 6.841 ( -1.155 -0.000 -5.416) 5.538 7.021 ( -15.031 -0.000 -8.864) 17.450 7.206 ( 3.032 0.000 -7.068) 7.691 7.390 ( 18.264 0.000 -5.699) 19.133 7.577 ( -2.743 -0.000 -4.259) 5.065 7.668 ( 5.748 0.000 -5.685) 8.085 7.962 ( -8.991 -0.000 -7.334) 11.603 8.547 ( -2.332 -0.000 12.142) 12.364 8.576 ( 8.195 0.000 16.049) 18.020 8.973 ( -6.749 -0.000 1.288) 6.870 9.148 ( -6.016 -0.000 -4.115) 7.289 9.305 ( 0.875 0.000 -0.826) 1.203 9.618 ( -4.651 -0.000 -13.106) 13.906 9.650 ( 8.616 0.000 14.121) 16.542 10.475 ( -12.915 -0.000 6.608) 14.507 10.589 ( -1.437 -0.000 -6.766) 6.917 10.839 ( 3.902 0.000 1.437) 4.158 11.563 ( 1.324 0.000 15.022) 15.080 12.055 ( 1.343 0.000 -1.659) 2.134 12.482 ( -12.226 -0.000 -10.248) 15.953 12.627 ( -4.840 -0.000 -4.848) 6.850 13.027 ( 0.451 0.000 -3.391) 3.421 13.316 ( -1.222 -0.000 -20.610) 20.647 13.573 ( 4.474 0.000 5.585) 7.156 13.991 ( 2.954 0.000 -1.639) 3.378 14.615 ( -6.163 -0.000 12.521) 13.956 15.296 ( 13.099 0.000 -1.698) 13.208 15.508 ( 1.706 0.000 10.636) 10.771 16.123 ( 6.856 0.000 -6.463) 9.422 16.364 ( -15.343 -0.000 -0.995) 15.375 16.527 ( -0.170 -0.000 -0.059) 0.179 17.587 ( 20.285 0.000 6.038) 21.165 17.588 ( -24.425 -0.000 -1.642) 24.480 17.937 ( 26.196 0.000 7.658) 27.293 18.245 ( -1.742 -0.000 -0.877) 1.951 18.445 ( -15.056 -0.000 -5.964) 16.194 18.590 ( 1.420 0.000 -5.893) 6.062 20.980 ( -2.439 -0.000 9.531) 9.838 21.484 ( -4.184 -0.000 -5.840) 7.184 22.530 ( 1.004 0.000 6.550) 6.627 22.924 ( 5.533 0.000 -4.866) 7.368 ======================= Grid point 196 (95/165) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( -15.998 -6.999 24.144) 29.798 2.810 ( 11.807 10.161 27.190) 31.336 3.446 ( 3.284 -13.486 6.903) 15.502 3.954 ( 2.322 7.209 14.136) 16.037 4.301 ( 2.215 -0.206 -1.355) 2.605 4.348 ( 2.075 -4.430 2.868) 5.671 4.656 ( 9.062 -5.736 3.989) 11.443 4.908 ( -0.174 -4.903 11.502) 12.504 4.948 ( 7.868 1.693 3.685) 8.852 5.262 ( -6.167 -4.621 -5.531) 9.486 5.450 ( 7.213 -11.060 -0.163) 13.205 6.067 ( 7.530 2.964 5.421) 9.740 6.262 ( -7.993 -1.979 -2.336) 8.560 6.720 ( -9.548 7.429 -9.421) 15.334 6.891 ( -3.309 -1.155 -3.374) 4.865 7.210 ( -1.746 0.309 -2.599) 3.146 7.441 ( 0.784 13.355 -2.913) 13.691 7.620 ( 1.394 1.664 -5.880) 6.268 7.750 ( 17.887 -0.263 -4.479) 18.441 7.861 ( 0.106 0.437 -10.101) 10.111 8.503 ( 2.106 1.625 13.698) 13.954 8.636 ( 5.503 2.247 14.996) 16.131 8.900 ( -19.112 -6.289 0.554) 20.128 9.085 ( -3.439 0.440 6.247) 7.145 9.293 ( -2.502 -5.052 -4.124) 6.985 9.610 ( -3.313 -3.589 -9.598) 10.769 9.886 ( 13.360 -3.535 2.109) 13.980 10.343 ( -6.096 -1.908 7.413) 9.785 10.587 ( -2.248 -2.469 -4.813) 5.858 10.970 ( 2.833 -10.437 -0.350) 10.821 11.563 ( 1.001 3.745 15.725) 16.196 12.056 ( -4.076 -2.372 0.256) 4.723 12.336 ( -11.640 -1.285 -5.827) 13.080 12.543 ( -2.430 3.751 -7.404) 8.648 13.057 ( 0.187 -3.431 -2.848) 4.463 13.299 ( -1.422 -0.168 -16.202) 16.265 13.592 ( 5.631 5.162 1.948) 7.884 13.988 ( 2.770 4.936 -3.102) 6.454 14.487 ( -6.287 4.424 10.484) 13.001 15.200 ( 6.226 19.198 2.913) 20.391 15.659 ( 2.913 -5.693 0.134) 6.397 16.115 ( 6.556 7.360 -3.587) 10.489 16.248 ( -6.961 -5.583 6.161) 10.844 16.745 ( -1.896 -21.175 -3.051) 21.477 17.272 ( -19.522 6.789 -0.459) 20.674 17.811 ( 18.244 2.363 8.311) 20.186 18.250 ( 5.900 0.415 -0.322) 5.923 18.266 ( -5.115 -5.621 -3.260) 8.270 18.297 ( 12.221 -3.024 -2.752) 12.887 18.689 ( 1.698 -9.137 -8.222) 12.408 20.984 ( -0.854 -2.527 10.934) 11.254 21.452 ( -2.664 -1.396 -3.940) 4.956 22.513 ( -0.241 2.882 5.431) 6.153 22.900 ( -3.012 4.196 -5.107) 7.264 ======================= Grid point 197 (96/165) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( -2.136 -7.877 19.303) 20.958 2.874 ( 8.803 -1.406 22.176) 23.901 3.547 ( -4.828 -2.608 -2.986) 6.247 3.929 ( 2.205 1.518 16.739) 16.952 4.262 ( -2.823 3.053 8.487) 9.451 4.293 ( -0.435 8.046 -6.546) 10.381 4.823 ( -4.113 -7.238 -9.613) 12.717 5.034 ( 19.357 -6.259 0.054) 20.344 5.219 ( -0.275 -1.345 -2.031) 2.452 5.339 ( 16.275 -8.361 12.135) 21.955 5.768 ( 6.056 -16.860 8.226) 19.713 6.048 ( -4.223 2.995 4.010) 6.549 6.228 ( 1.088 -4.992 3.925) 6.442 6.515 ( -6.133 4.974 -7.307) 10.759 6.902 ( -3.981 -4.718 1.893) 6.457 7.075 ( -8.950 9.738 2.500) 13.460 7.270 ( 6.909 7.676 -0.351) 10.333 7.590 ( 2.761 1.759 -7.227) 7.933 7.773 ( 2.646 7.784 1.469) 8.351 8.063 ( 11.656 -4.017 -5.989) 13.706 8.578 ( 5.585 -2.954 10.292) 12.077 8.707 ( 2.889 -0.577 14.148) 14.451 8.733 ( -15.799 -3.667 -2.460) 16.405 9.077 ( 3.928 -2.180 -0.454) 4.515 9.350 ( -8.028 -8.879 4.008) 12.624 9.610 ( -3.102 -0.369 -2.474) 3.985 9.987 ( 3.339 -2.473 -6.440) 7.664 10.392 ( -1.587 -3.255 3.549) 5.070 10.583 ( -0.638 -0.496 -2.041) 2.196 11.212 ( 3.505 -15.180 -8.077) 17.549 11.409 ( -3.137 15.709 13.955) 21.245 12.062 ( -6.395 -6.163 0.333) 8.887 12.301 ( -5.362 -8.809 3.142) 10.780 12.475 ( 0.197 2.560 -8.007) 8.409 13.104 ( 0.118 -0.660 -2.846) 2.924 13.246 ( -0.369 5.177 -6.312) 8.172 13.576 ( 4.741 3.545 -5.632) 8.170 13.902 ( 2.262 9.270 -5.886) 11.211 14.426 ( -4.112 -4.204 5.467) 8.029 14.985 ( 3.138 14.892 3.830) 15.694 15.681 ( -2.547 1.479 -6.749) 7.364 16.011 ( 7.360 15.240 -8.249) 18.828 16.390 ( -4.001 -16.170 17.823) 24.395 16.958 ( -8.848 8.776 1.707) 12.579 17.020 ( -2.414 -16.217 -2.192) 16.542 17.922 ( 9.133 5.526 9.723) 14.439 18.187 ( -8.786 -5.896 -8.324) 13.463 18.346 ( 0.101 -5.252 -0.506) 5.277 18.595 ( 20.113 -1.292 -3.549) 20.465 18.890 ( 4.430 -12.115 -12.022) 17.633 21.041 ( 0.233 -4.554 12.592) 13.392 21.457 ( -0.476 -1.677 -0.109) 1.747 22.452 ( -0.353 4.481 4.568) 6.408 22.753 ( -8.208 5.036 -4.620) 10.681 ======================= Grid point 198 (97/165) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 4.754 -2.410 11.979) 13.111 3.067 ( 2.513 -13.230 8.088) 15.709 3.486 ( 0.819 4.918 -0.173) 4.989 3.920 ( -4.857 -0.873 8.811) 10.099 4.114 ( -0.581 12.049 -6.358) 13.636 4.253 ( 2.935 -0.634 17.094) 17.355 4.860 ( -6.081 -4.438 -7.298) 10.485 5.134 ( 2.316 7.567 8.241) 11.425 5.479 ( 25.117 -8.627 2.565) 26.681 5.509 ( -3.760 -5.492 4.204) 7.872 5.818 ( -3.690 3.226 -5.859) 7.639 5.990 ( 2.096 4.122 -5.924) 7.515 6.427 ( -3.271 0.000 -3.365) 4.693 6.624 ( 13.854 -24.331 16.603) 32.552 6.815 ( -8.931 5.961 2.533) 11.032 6.940 ( -5.600 -4.629 8.195) 10.952 7.290 ( 7.665 4.360 -2.662) 9.212 7.539 ( -0.852 9.463 0.834) 9.538 7.806 ( 6.793 -9.234 3.076) 11.869 8.026 ( -7.646 12.064 4.648) 15.020 8.530 ( -11.533 -1.445 5.300) 12.774 8.708 ( 6.619 -1.181 3.070) 7.391 8.879 ( 4.416 -9.408 1.191) 10.461 9.173 ( 0.476 0.919 -1.899) 2.163 9.374 ( -8.144 -7.762 6.552) 13.020 9.634 ( 9.385 -3.928 -0.721) 10.199 10.107 ( 1.748 -4.148 -6.403) 7.827 10.322 ( -7.806 -3.085 3.227) 8.993 10.611 ( 2.768 0.671 -5.873) 6.527 11.036 ( -6.153 20.324 4.731) 21.756 11.517 ( 5.808 -12.585 0.030) 13.861 12.049 ( -7.741 -3.697 -6.354) 10.676 12.434 ( 3.947 -4.514 7.130) 9.316 12.489 ( -1.564 -8.029 -4.560) 9.365 13.033 ( 1.262 8.439 2.815) 8.985 13.172 ( -0.388 4.595 -5.686) 7.321 13.611 ( 2.108 -2.556 -8.978) 9.569 13.767 ( 0.869 10.388 -10.983) 15.143 14.483 ( -2.342 -7.288 1.144) 7.740 14.851 ( 2.054 7.116 4.979) 8.925 15.574 ( -8.141 3.197 -8.433) 12.150 15.868 ( 8.622 13.981 -6.501) 17.665 16.574 ( -5.587 -13.210 16.261) 21.682 16.793 ( -0.006 4.910 6.870) 8.444 17.216 ( 2.561 -8.738 -0.818) 9.142 17.876 ( -0.710 6.572 5.771) 8.775 18.203 ( -4.374 -5.723 -7.865) 10.665 18.426 ( 1.045 -4.054 2.462) 4.857 18.777 ( 8.615 -0.642 -7.007) 11.123 19.102 ( 5.618 -6.807 -13.660) 16.264 21.121 ( -0.387 -4.677 11.893) 12.785 21.495 ( 2.593 -1.766 6.732) 7.427 22.392 ( 1.022 3.571 4.253) 5.646 22.573 ( -9.105 4.255 -6.247) 11.833 ======================= Grid point 199 (98/165) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( -1.901 2.990 2.066) 4.101 3.284 ( 1.090 -10.128 -10.285) 14.475 3.494 ( 10.636 0.748 14.957) 18.368 3.848 ( -5.021 3.366 -0.066) 6.045 3.964 ( -0.903 3.347 1.599) 3.817 4.310 ( 2.424 1.529 22.371) 22.554 4.765 ( 3.533 11.663 4.136) 12.869 5.070 ( -6.892 -0.145 2.827) 7.451 5.453 ( -3.116 -0.369 4.728) 5.674 5.701 ( -0.366 -1.802 0.301) 1.864 5.892 ( -1.589 6.836 -9.417) 11.745 6.083 ( 23.026 -14.843 -0.772) 27.406 6.382 ( -3.167 2.367 1.315) 4.167 6.616 ( -9.181 6.769 2.122) 11.602 6.824 ( -11.349 -1.358 8.164) 14.046 7.131 ( 5.724 -8.455 8.993) 13.606 7.279 ( 1.231 1.157 -7.107) 7.305 7.433 ( -2.487 1.229 5.845) 6.471 7.669 ( -5.441 9.274 7.842) 13.308 8.049 ( -0.424 -6.389 0.843) 6.459 8.494 ( -5.893 -4.513 5.716) 9.368 8.792 ( 6.731 0.013 1.000) 6.805 8.991 ( -1.018 0.505 -0.726) 1.348 9.062 ( -3.925 4.683 5.182) 8.012 9.458 ( -3.442 -13.161 6.569) 15.106 9.895 ( 15.524 -6.142 -2.318) 16.855 10.005 ( -4.493 6.545 -1.478) 8.075 10.523 ( 0.115 13.760 -11.559) 17.971 10.533 ( 2.586 -17.596 0.802) 17.803 10.762 ( -1.838 3.558 5.582) 6.870 11.653 ( 1.606 3.725 2.055) 4.548 12.038 ( -2.520 -5.094 -12.880) 14.078 12.531 ( 2.465 -4.166 3.534) 5.994 12.615 ( 3.222 -4.700 5.648) 8.023 12.980 ( 0.429 -1.209 4.351) 4.536 13.057 ( -2.825 6.723 -8.349) 11.086 13.615 ( -0.838 7.165 -16.151) 17.689 13.672 ( 0.348 -2.551 -8.024) 8.427 14.577 ( -0.556 -6.874 -1.426) 7.042 14.781 ( 1.851 7.106 6.488) 9.799 15.447 ( -5.370 -0.645 -7.994) 9.652 15.803 ( 5.472 6.110 -2.969) 8.723 16.631 ( -2.817 -0.602 8.467) 8.944 16.821 ( 1.393 -5.471 12.689) 13.888 17.353 ( 6.286 -2.463 2.245) 7.114 17.734 ( -4.110 8.051 0.651) 9.063 18.229 ( -4.652 -5.094 -5.873) 9.060 18.479 ( 0.162 -1.144 3.522) 3.707 18.820 ( -1.689 0.069 -9.437) 9.587 19.191 ( 3.508 1.692 -12.929) 13.503 21.166 ( -1.950 -2.274 8.772) 9.270 21.580 ( 4.298 -3.039 13.893) 14.857 22.375 ( -1.710 0.297 3.044) 3.504 22.422 ( -1.293 4.366 -7.432) 8.716 ======================= Grid point 200 (99/165) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( -8.815 7.079 3.186) 11.746 3.397 ( 7.719 1.102 0.348) 7.805 3.631 ( 1.034 1.114 -6.726) 6.896 3.796 ( 6.249 -2.584 9.800) 11.906 3.984 ( -0.029 -4.681 8.849) 10.011 4.228 ( 0.154 10.131 22.206) 24.408 4.691 ( 4.984 5.995 8.956) 11.874 4.962 ( -9.806 -1.460 -4.016) 10.697 5.476 ( 3.175 -0.079 5.178) 6.074 5.606 ( -8.915 13.944 -2.750) 16.777 5.764 ( -3.955 1.941 2.438) 5.035 6.178 ( -9.542 13.945 -2.882) 17.141 6.443 ( -0.648 3.635 9.400) 10.099 6.589 ( 14.956 -17.488 5.810) 23.733 6.682 ( -6.965 -0.250 0.168) 6.972 7.145 ( -12.380 -3.131 6.291) 14.235 7.275 ( -1.617 -6.057 -0.778) 6.317 7.421 ( 2.266 -1.407 -6.319) 6.858 7.719 ( 3.946 3.962 -2.362) 6.070 8.003 ( -7.744 -3.105 1.649) 8.505 8.421 ( -7.455 0.675 6.573) 9.961 8.834 ( -3.115 5.459 1.408) 6.441 8.903 ( 3.198 4.577 1.994) 5.929 9.047 ( 2.045 -2.989 5.502) 6.586 9.677 ( 0.514 -14.870 8.714) 17.243 9.837 ( -2.232 12.699 -4.787) 13.753 10.101 ( 4.654 -1.401 1.215) 5.010 10.327 ( 4.556 6.489 -11.733) 14.161 10.634 ( -2.330 1.107 -0.031) 2.580 10.992 ( 6.498 -20.239 2.765) 21.436 11.482 ( -0.553 16.313 -2.760) 16.554 12.084 ( 1.390 -0.036 -4.739) 4.939 12.574 ( 1.863 0.136 -1.923) 2.681 12.762 ( -0.263 -7.226 10.931) 13.106 12.956 ( -1.151 -3.211 -10.047) 10.611 13.055 ( 0.512 -4.410 3.347) 5.559 13.512 ( -0.074 4.794 -19.311) 19.898 13.701 ( -1.258 -3.090 -5.901) 6.779 14.660 ( 2.157 3.886 -0.180) 4.448 14.690 ( -0.158 -1.754 3.674) 4.075 15.491 ( 0.645 -7.618 -4.576) 8.910 15.788 ( 2.319 2.163 0.977) 3.319 16.578 ( -3.745 2.042 5.705) 7.123 16.945 ( 3.941 -5.673 9.853) 12.033 17.451 ( 10.278 2.468 6.228) 12.268 17.537 ( -3.593 11.781 -3.353) 12.765 18.248 ( -7.473 -7.133 -5.308) 11.614 18.448 ( -4.848 2.211 2.129) 5.738 18.721 ( -8.376 4.144 -9.143) 13.074 19.139 ( 1.084 7.386 -11.032) 13.320 21.152 ( -2.875 0.534 7.685) 8.222 21.668 ( 0.595 -2.464 11.798) 12.067 22.311 ( -2.243 -0.589 -3.289) 4.024 22.463 ( 8.757 0.323 1.118) 8.834 ======================= Grid point 201 (100/165) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( -4.713 -0.673 17.277) 17.921 3.392 ( -0.496 8.170 17.608) 19.418 3.490 ( 0.328 15.038 -4.698) 15.758 3.925 ( -1.402 -2.800 10.234) 10.702 4.030 ( 5.798 2.233 13.102) 14.501 4.244 ( 4.940 -10.779 -1.509) 11.953 4.620 ( -4.258 5.370 9.642) 11.829 4.931 ( -0.390 0.068 -9.079) 9.088 5.253 ( -9.094 11.792 -2.650) 15.126 5.421 ( -5.410 19.737 37.516) 42.735 5.525 ( -8.609 -0.824 1.440) 8.767 6.020 ( 1.065 3.929 -17.985) 18.440 6.448 ( 3.791 1.940 5.059) 6.613 6.701 ( -1.678 -10.691 -2.172) 11.038 6.967 ( 7.146 -11.311 4.209) 14.026 7.082 ( -9.018 -5.442 4.511) 11.458 7.260 ( -2.797 7.987 -9.603) 12.799 7.541 ( -5.014 -14.792 -2.370) 15.797 7.570 ( 5.206 6.224 -12.839) 15.188 8.028 ( -7.955 -4.635 4.330) 10.174 8.397 ( -2.198 -4.685 9.674) 10.972 8.633 ( -3.873 11.010 7.922) 14.106 8.940 ( 4.673 -2.416 2.903) 6.008 9.130 ( 5.705 -0.188 -1.002) 5.795 9.557 ( -5.509 15.011 -4.859) 16.712 9.827 ( -0.395 0.155 11.958) 11.965 10.036 ( -5.963 5.439 -10.216) 13.019 10.382 ( 1.708 -4.823 -3.894) 6.430 10.615 ( 0.196 -1.215 -3.643) 3.845 11.199 ( -1.387 16.553 0.941) 16.637 11.336 ( 6.558 -11.196 4.619) 13.773 12.067 ( 3.598 4.704 -4.279) 7.306 12.610 ( -2.075 -4.707 -2.604) 5.766 12.732 ( -6.717 0.779 -3.200) 7.481 13.081 ( 1.869 2.719 -1.898) 3.807 13.173 ( 2.379 -16.618 5.069) 17.536 13.442 ( 0.531 3.660 -19.669) 20.014 13.774 ( 1.340 -7.137 -2.908) 7.822 14.588 ( -0.662 1.842 7.366) 7.622 14.812 ( 2.778 -8.599 -1.903) 9.235 15.602 ( 3.068 -0.705 0.860) 3.263 15.814 ( 3.070 -3.215 2.276) 4.994 16.500 ( -6.738 -0.286 2.361) 7.145 17.103 ( 7.833 -5.526 5.407) 11.006 17.270 ( 0.346 20.690 -6.749) 21.765 17.542 ( 14.718 5.112 9.969) 18.496 18.186 ( -26.385 -5.504 -6.102) 27.635 18.348 ( -1.604 0.675 0.358) 1.776 18.543 ( -4.534 6.346 -4.482) 8.995 18.992 ( -3.030 9.858 -9.369) 13.933 21.096 ( -3.435 1.994 8.341) 9.239 21.650 ( -4.908 1.189 0.665) 5.094 22.371 ( 3.390 -4.833 4.478) 7.410 22.596 ( 11.963 -1.641 0.456) 12.083 ======================= Grid point 202 (101/165) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 4.809 -15.693 26.689) 31.332 3.106 ( -25.025 8.551 22.613) 34.796 3.235 ( 11.626 25.426 16.093) 32.259 3.956 ( -3.277 -7.994 7.003) 11.121 4.125 ( 8.501 -0.505 0.474) 8.529 4.357 ( -2.928 10.176 3.976) 11.311 4.559 ( 2.548 -7.190 -0.490) 7.644 4.849 ( 1.855 4.738 -6.854) 8.536 5.026 ( -12.195 5.900 30.718) 33.573 5.261 ( 7.911 2.028 5.132) 9.645 5.450 ( -6.886 2.343 -6.456) 9.726 5.957 ( -0.356 2.467 -6.234) 6.714 6.406 ( -0.885 5.282 -0.896) 5.430 6.834 ( -0.488 -3.508 -5.558) 6.591 7.093 ( -9.312 -8.707 -5.869) 14.034 7.115 ( 4.475 -5.252 -3.106) 7.567 7.222 ( 7.466 -0.999 -4.205) 8.627 7.580 ( 4.072 -0.670 -9.872) 10.700 7.667 ( -3.469 -0.402 -2.009) 4.029 7.996 ( -10.198 -9.138 -3.723) 14.190 8.483 ( -0.484 -6.458 11.619) 13.302 8.496 ( 3.101 3.677 14.042) 14.843 9.079 ( 4.730 -4.882 2.110) 7.118 9.152 ( 11.985 13.127 -0.460) 17.781 9.294 ( -11.533 1.477 -3.724) 12.209 9.706 ( -4.398 7.097 12.880) 15.350 9.820 ( -8.794 10.090 -15.393) 20.398 10.493 ( -3.913 -9.648 3.993) 11.151 10.620 ( -0.846 0.946 -6.668) 6.788 10.942 ( -0.407 14.267 -0.364) 14.278 11.509 ( 2.691 -4.066 12.481) 13.400 12.046 ( 4.220 3.582 -5.195) 7.591 12.619 ( -9.662 -0.376 -9.335) 13.440 12.648 ( -5.094 -4.238 -1.557) 6.807 13.044 ( 1.423 3.318 -3.340) 4.919 13.342 ( -1.016 -1.060 -17.596) 17.657 13.468 ( 4.146 -6.007 3.222) 7.978 13.912 ( 3.298 -5.594 -1.595) 6.687 14.607 ( -3.669 -5.959 11.219) 13.223 15.026 ( 7.747 -11.704 -0.534) 14.046 15.572 ( 2.933 7.570 7.498) 11.051 15.960 ( 6.072 -7.198 -1.372) 9.516 16.439 ( -8.675 -3.735 -1.718) 9.599 16.863 ( -6.140 25.088 -5.688) 26.447 17.337 ( 18.259 -2.067 3.584) 18.722 17.679 ( 20.771 4.149 10.484) 23.633 17.882 ( -29.947 -3.096 -2.025) 30.175 18.308 ( -1.773 4.004 -0.316) 4.390 18.477 ( -4.303 -4.762 -3.572) 7.345 18.764 ( -6.628 11.333 -8.118) 15.436 21.027 ( -3.425 1.773 8.960) 9.755 21.557 ( -5.427 1.665 -5.268) 7.745 22.481 ( 2.640 -3.298 7.074) 8.239 22.786 ( 12.080 -3.131 -1.945) 12.630 ======================= Grid point 204 (102/165) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -6.689 -0.000 25.986) 26.833 3.086 ( 8.233 0.000 8.971) 12.176 3.403 ( 7.669 0.000 11.442) 13.775 4.137 ( 10.706 0.000 20.772) 23.369 4.221 ( -5.900 -0.000 5.403) 8.000 4.390 ( 4.723 0.000 -5.115) 6.962 4.738 ( 17.904 0.000 9.595) 20.313 4.935 ( -7.216 -0.000 -16.927) 18.400 4.939 ( 9.019 0.000 30.559) 31.862 5.275 ( 5.731 0.000 -2.944) 6.443 5.387 ( 5.853 0.000 -11.510) 12.913 6.148 ( -6.590 -0.000 -5.277) 8.442 6.228 ( 8.617 0.000 14.212) 16.620 6.631 ( -12.010 -0.000 -12.446) 17.296 6.870 ( 0.655 0.000 -2.321) 2.412 7.143 ( -6.665 -0.000 1.837) 6.914 7.582 ( 2.422 0.000 -4.080) 4.745 7.635 ( -3.832 -0.000 1.434) 4.091 7.814 ( -3.398 -0.000 -12.300) 12.761 8.012 ( 24.801 0.000 -6.139) 25.549 8.559 ( 2.318 0.000 10.158) 10.419 8.589 ( -19.093 -0.000 5.800) 19.955 8.747 ( 5.312 0.000 6.905) 8.712 8.993 ( -6.497 -0.000 14.330) 15.735 9.219 ( -4.209 -0.000 -5.407) 6.852 9.613 ( 5.463 0.000 -9.049) 10.570 10.015 ( 3.686 0.000 0.129) 3.688 10.279 ( 4.884 0.000 7.250) 8.741 10.514 ( -4.389 -0.000 -6.179) 7.579 10.930 ( 3.092 0.000 3.703) 4.824 11.611 ( 1.535 0.000 16.779) 16.850 11.968 ( -7.195 -0.000 4.149) 8.306 12.206 ( -8.694 -0.000 -11.449) 14.376 12.542 ( -2.213 -0.000 -9.747) 9.995 13.026 ( 0.072 0.000 -2.921) 2.922 13.268 ( -1.381 -0.000 -16.867) 16.923 13.694 ( 4.816 0.000 2.213) 5.300 14.042 ( 1.277 0.000 -2.304) 2.635 14.465 ( -6.673 -0.000 10.592) 12.519 15.496 ( 1.843 0.000 -3.582) 4.029 15.600 ( 4.926 0.000 9.900) 11.058 16.013 ( -11.297 -0.000 15.410) 19.107 16.329 ( 8.506 0.000 -16.385) 18.462 16.565 ( 3.176 0.000 0.906) 3.303 17.141 ( -12.457 -0.000 -2.716) 12.750 17.993 ( 0.502 0.000 12.953) 12.963 18.060 ( -8.069 -0.000 -7.909) 11.299 18.285 ( 8.970 0.000 -4.299) 9.947 18.584 ( 24.444 0.000 -2.153) 24.538 18.668 ( 7.291 0.000 -6.039) 9.467 20.966 ( 0.540 0.000 11.907) 11.919 21.419 ( -0.810 -0.000 -3.395) 3.490 22.525 ( -1.566 -0.000 3.052) 3.430 22.844 ( -11.064 -0.000 -3.082) 11.485 ======================= Grid point 205 (103/165) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 3.541 -8.852 18.309) 20.643 3.101 ( 4.941 5.536 3.846) 8.358 3.510 ( 6.457 -1.330 8.181) 10.506 4.046 ( -1.712 8.501 9.243) 12.674 4.297 ( 8.652 2.623 23.404) 25.090 4.396 ( 0.986 4.391 -5.454) 7.070 4.781 ( -0.539 4.297 -15.274) 15.876 5.023 ( 5.003 -8.433 -4.512) 10.794 5.270 ( 10.162 -2.969 6.544) 12.446 5.403 ( 26.288 -15.746 16.357) 34.735 5.574 ( 2.793 -12.969 -1.375) 13.338 6.064 ( -3.930 3.206 -1.992) 5.449 6.267 ( 3.866 3.760 14.892) 15.839 6.482 ( -7.532 2.219 -13.348) 15.486 6.840 ( -2.249 2.878 1.984) 4.157 7.086 ( -6.026 1.042 1.957) 6.421 7.432 ( 0.145 9.175 4.552) 10.244 7.644 ( 1.838 -0.059 -3.592) 4.036 7.803 ( -3.908 -0.977 -9.015) 9.874 8.221 ( 10.621 4.118 2.800) 11.730 8.447 ( -15.368 -6.507 4.803) 17.367 8.619 ( 6.100 -2.649 3.146) 7.357 8.777 ( 6.435 3.093 13.407) 15.190 8.994 ( -3.654 -5.496 0.283) 6.606 9.204 ( -2.845 -4.626 2.688) 6.059 9.660 ( 7.175 4.000 -4.185) 9.219 9.979 ( -3.283 -0.852 -2.373) 4.139 10.358 ( -0.489 1.986 0.772) 2.186 10.536 ( 2.202 -5.691 -3.083) 6.837 11.055 ( 3.709 -11.286 -0.493) 11.890 11.567 ( -2.173 8.684 15.074) 17.532 11.915 ( -5.821 -3.226 2.680) 7.175 12.145 ( -2.215 -3.897 -7.580) 8.807 12.500 ( -2.018 0.999 -9.235) 9.506 13.060 ( 0.388 -3.501 -3.996) 5.327 13.255 ( -1.048 -0.671 -13.475) 13.532 13.712 ( 3.733 4.691 0.448) 6.012 14.025 ( 0.593 4.197 -3.959) 5.801 14.353 ( -5.252 2.358 7.999) 9.855 15.273 ( -1.958 18.964 1.821) 19.152 15.689 ( 0.031 0.963 1.321) 1.635 16.032 ( -10.187 -16.372 15.638) 24.827 16.311 ( 8.497 10.987 -10.502) 17.413 16.786 ( 4.343 -17.011 -1.838) 17.652 16.987 ( -4.608 5.516 -1.038) 7.262 17.882 ( -13.468 -3.657 -1.027) 13.994 18.080 ( -0.550 -2.435 3.239) 4.090 18.406 ( 12.981 3.648 -0.229) 13.485 18.753 ( 7.242 -2.959 -1.897) 8.050 18.921 ( 22.263 -2.969 -11.553) 25.257 21.004 ( 1.698 -2.314 13.286) 13.593 21.432 ( 1.114 -1.674 -0.967) 2.231 22.487 ( -2.092 2.003 1.457) 3.242 22.665 ( -14.820 1.774 -0.900) 14.953 ======================= Grid point 206 (104/165) ======================= q-point: ( 0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 5.981 -10.118 10.110) 15.504 3.064 ( 0.198 2.099 -5.193) 5.604 3.635 ( 13.665 0.872 11.013) 17.572 3.912 ( -2.083 6.233 6.549) 9.278 4.270 ( -1.628 10.021 -7.247) 12.473 4.362 ( 10.603 5.214 26.174) 28.717 4.755 ( 0.403 -1.430 -12.449) 12.537 5.131 ( -2.720 -3.618 -0.739) 4.586 5.441 ( 3.735 -5.871 6.664) 9.635 5.706 ( 12.516 -5.369 -12.459) 18.458 5.847 ( 1.606 9.204 6.629) 11.456 6.019 ( 4.123 -4.432 6.628) 8.976 6.394 ( -1.819 2.165 -14.051) 14.333 6.462 ( 16.649 -18.868 19.214) 31.660 6.783 ( -4.628 -1.634 5.143) 7.109 6.898 ( -7.007 8.992 9.111) 14.593 7.422 ( 4.091 1.443 0.008) 4.338 7.608 ( -7.526 4.964 -1.459) 9.132 7.780 ( 4.844 -2.301 -0.527) 5.389 8.128 ( -5.652 11.082 6.469) 14.021 8.373 ( -8.733 -3.115 5.816) 10.945 8.746 ( 3.809 -5.089 -1.255) 6.480 8.856 ( 8.303 -0.682 15.836) 17.894 9.029 ( -7.838 -6.939 -3.428) 11.015 9.279 ( -0.039 -3.020 3.240) 4.429 9.725 ( 12.319 -2.556 -2.149) 12.763 10.037 ( 3.642 -6.539 -7.625) 10.685 10.225 ( -11.200 4.337 3.755) 12.583 10.634 ( 2.879 -2.064 -4.277) 5.553 11.210 ( -5.177 7.918 -5.775) 11.084 11.434 ( 6.079 -5.957 11.190) 14.059 11.902 ( -5.246 -3.277 -0.623) 6.217 12.293 ( 3.748 -12.246 -1.090) 12.853 12.466 ( -1.137 0.186 -6.067) 6.176 13.097 ( -0.239 -0.276 -4.992) 5.006 13.243 ( 0.811 2.322 -6.330) 6.792 13.645 ( 0.548 5.827 -3.515) 6.827 13.924 ( 0.143 8.966 -7.483) 11.680 14.339 ( -3.385 -6.136 3.292) 7.743 14.971 ( -5.629 12.163 0.657) 13.418 15.587 ( -3.978 7.333 -0.332) 8.349 16.152 ( -0.688 1.567 -1.676) 2.395 16.286 ( 2.333 -6.872 8.313) 11.035 16.882 ( 0.896 5.582 2.711) 6.270 17.092 ( 4.429 -15.208 0.186) 15.841 17.791 ( -10.793 -2.763 -1.148) 11.200 18.102 ( -3.716 -3.445 0.677) 5.112 18.488 ( 10.743 3.627 1.239) 11.406 18.848 ( 4.386 0.195 -3.381) 5.541 19.192 ( 17.167 -1.346 -13.803) 22.069 21.074 ( 1.735 -3.007 13.236) 13.683 21.493 ( 2.857 -2.790 4.337) 5.895 22.406 ( -8.077 1.913 4.675) 9.526 22.496 ( -7.059 0.592 -5.374) 8.891 ======================= Grid point 207 (105/165) ======================= q-point: ( 0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( -0.332 1.936 3.053) 3.630 3.122 ( 2.286 -10.606 -12.231) 16.349 3.792 ( 5.507 -2.080 10.677) 12.193 3.828 ( 13.808 11.438 8.065) 19.661 4.072 ( -2.237 10.731 -5.039) 12.065 4.415 ( 7.129 3.906 25.685) 26.940 4.789 ( 0.322 -1.988 -8.367) 8.606 5.060 ( -8.906 3.420 5.621) 11.072 5.537 ( 6.897 4.945 10.183) 13.256 5.668 ( -3.894 0.182 -0.885) 3.998 5.881 ( -2.294 -4.111 -8.672) 9.868 6.246 ( 24.358 -4.647 0.886) 24.813 6.329 ( -3.827 1.133 -8.242) 9.158 6.610 ( -9.273 5.489 1.596) 10.894 6.712 ( -5.125 1.770 13.505) 14.553 7.033 ( 5.569 -11.262 9.464) 15.729 7.321 ( -11.143 9.846 6.338) 16.164 7.463 ( 4.241 0.101 -4.085) 5.890 7.792 ( -4.824 11.782 6.867) 14.466 7.992 ( 4.552 -3.578 1.396) 5.956 8.389 ( 0.541 -4.606 7.796) 9.071 8.830 ( -0.020 -2.768 -2.014) 3.423 8.973 ( 2.442 -1.751 4.454) 5.373 9.005 ( -6.541 -3.265 7.899) 10.763 9.272 ( -3.307 -3.313 0.767) 4.743 10.002 ( 6.708 -1.709 4.456) 8.232 10.038 ( 4.033 -0.366 -3.821) 5.567 10.267 ( 3.021 -18.355 -2.388) 18.755 10.656 ( 1.040 2.381 -8.935) 9.305 10.877 ( -7.634 17.496 3.428) 19.394 11.701 ( 9.195 -6.426 2.709) 11.540 11.891 ( -5.225 -5.735 -7.737) 10.957 12.484 ( 0.750 -4.108 0.044) 4.176 12.533 ( 4.145 -11.026 0.403) 11.786 13.051 ( 0.342 5.531 0.579) 5.572 13.147 ( -1.603 9.934 -4.766) 11.134 13.600 ( -2.325 -1.659 -8.209) 8.692 13.761 ( -0.298 10.289 -12.541) 16.225 14.428 ( -2.061 -9.140 0.265) 9.373 14.816 ( -5.414 0.398 1.915) 5.756 15.427 ( -2.900 6.449 -1.624) 7.255 16.037 ( 4.967 12.719 -8.163) 15.908 16.488 ( -1.103 -13.731 15.183) 20.501 16.827 ( 1.562 3.785 5.262) 6.667 17.339 ( 2.294 -11.500 2.721) 12.038 17.704 ( -4.551 1.522 -1.042) 4.910 18.091 ( -7.199 -3.586 -2.546) 8.436 18.542 ( 7.136 4.190 1.717) 8.452 18.846 ( 0.577 3.459 -4.502) 5.707 19.334 ( 10.898 4.318 -14.607) 18.729 21.134 ( 1.053 -1.658 11.241) 11.412 21.576 ( 2.299 -3.070 11.284) 11.918 22.279 ( -10.359 -1.474 1.543) 10.577 22.469 ( 1.944 -0.199 -5.337) 5.683 ======================= Grid point 208 (106/165) ======================= q-point: (-0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( -5.297 9.806 0.587) 11.160 3.368 ( 4.482 -13.601 -10.807) 17.941 3.723 ( -0.793 8.516 0.315) 8.559 3.928 ( 5.703 0.822 9.943) 11.492 4.009 ( 16.449 4.844 5.011) 17.864 4.393 ( 0.177 8.494 27.472) 28.755 4.774 ( -6.824 3.660 7.040) 10.465 4.883 ( -1.795 3.586 -1.735) 4.370 5.459 ( -5.545 0.287 1.158) 5.672 5.697 ( -5.256 6.796 -1.420) 8.708 5.894 ( 13.514 2.633 -0.421) 13.775 6.206 ( -9.990 4.074 -6.624) 12.660 6.421 ( -7.034 2.262 -5.192) 9.031 6.555 ( -2.848 5.433 22.764) 23.576 6.691 ( 18.261 -9.660 1.065) 20.686 7.008 ( -13.461 4.697 6.896) 15.837 7.106 ( -1.938 -1.885 1.088) 2.914 7.515 ( -2.612 6.345 -2.680) 7.367 7.738 ( 2.774 -8.979 3.961) 10.199 8.025 ( 5.921 8.895 -7.876) 13.274 8.383 ( -4.089 3.665 7.404) 9.218 8.812 ( -6.236 -0.696 1.010) 6.356 8.957 ( -1.478 1.719 1.439) 2.685 9.053 ( 5.020 -0.801 7.311) 8.905 9.401 ( -2.671 -18.289 6.465) 19.581 9.948 ( -1.040 1.616 0.008) 1.922 10.213 ( 9.317 4.883 2.765) 10.876 10.494 ( 0.032 8.705 -6.979) 11.157 10.618 ( -1.718 0.480 -4.861) 5.178 10.715 ( 1.351 -19.818 3.767) 20.218 11.684 ( 0.335 11.079 -7.730) 13.513 12.038 ( 3.286 -9.746 -0.151) 10.286 12.607 ( 1.791 -0.889 -6.078) 6.398 12.653 ( -0.194 -7.244 12.804) 14.713 12.949 ( -4.123 7.908 -7.420) 11.601 13.018 ( 2.183 -1.374 2.888) 3.872 13.577 ( -0.929 3.157 -14.679) 15.043 13.655 ( -0.750 0.971 -10.184) 10.258 14.555 ( -0.691 -9.309 -0.591) 9.353 14.756 ( -4.189 2.469 4.343) 6.520 15.383 ( 0.687 -4.063 -4.895) 6.398 15.908 ( 2.823 9.484 -7.344) 12.323 16.609 ( 0.247 0.464 14.769) 14.778 16.853 ( 1.271 -6.760 6.869) 9.721 17.462 ( -8.326 -7.861 0.565) 11.465 17.690 ( 12.957 4.985 3.664) 14.359 18.031 ( -11.853 -3.161 -6.881) 14.066 18.508 ( 1.808 7.632 1.821) 8.052 18.763 ( -1.440 6.128 -4.465) 7.718 19.311 ( 5.069 10.058 -14.834) 18.625 21.151 ( 0.165 1.078 9.808) 9.868 21.627 ( -2.216 -2.303 12.127) 12.542 22.235 ( -3.707 -4.213 0.531) 5.637 22.533 ( 5.419 -2.417 -4.321) 7.340 ======================= Grid point 209 (107/165) ======================= q-point: (-0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( -1.944 6.416 10.854) 12.757 3.479 ( -4.878 11.343 15.902) 20.133 3.613 ( 0.294 -4.066 -19.822) 20.237 3.985 ( 2.052 3.970 17.226) 17.796 4.160 ( -3.448 1.276 4.422) 5.750 4.227 ( 17.960 4.670 15.687) 24.299 4.606 ( -9.365 2.954 7.515) 12.365 4.928 ( 6.057 -2.037 2.273) 6.783 5.365 ( -7.720 12.201 -5.018) 15.285 5.403 ( -10.480 4.385 -1.267) 11.431 5.818 ( 5.452 23.112 28.140) 36.820 6.107 ( 3.804 4.939 -14.142) 15.455 6.388 ( -7.618 -8.465 -7.334) 13.545 6.547 ( 4.682 -5.432 10.051) 12.347 6.860 ( -8.590 -4.091 2.883) 9.942 7.036 ( 13.894 -2.566 7.149) 15.834 7.195 ( -4.413 -13.551 -0.955) 14.283 7.347 ( -3.838 4.631 -10.448) 12.056 7.812 ( -2.685 6.055 -5.848) 8.836 7.900 ( 2.382 4.943 -5.171) 7.539 8.359 ( 3.012 -1.363 14.701) 15.068 8.714 ( -3.938 5.344 5.137) 8.393 8.931 ( 0.554 -0.878 0.510) 1.157 9.112 ( -0.135 -2.757 -2.413) 3.666 9.637 ( -3.697 -9.215 9.464) 13.717 9.868 ( 1.963 6.968 -7.431) 10.374 10.061 ( -5.970 12.069 9.187) 16.300 10.444 ( 3.699 5.634 -9.308) 11.492 10.572 ( -1.552 -3.173 -2.885) 4.561 11.118 ( 3.293 -21.348 10.040) 23.819 11.463 ( -0.982 15.451 -11.577) 19.332 12.166 ( 5.149 1.140 2.362) 5.779 12.501 ( -7.336 -0.643 -1.338) 7.485 12.743 ( -3.773 9.329 1.254) 10.141 12.922 ( 0.481 -17.314 4.154) 17.812 13.121 ( 3.740 -3.239 -1.924) 5.309 13.507 ( 1.168 4.484 -18.032) 18.618 13.683 ( 0.737 -5.466 -6.899) 8.833 14.633 ( -4.000 5.003 6.156) 8.884 14.699 ( 1.516 -8.102 -0.828) 8.284 15.541 ( 4.081 -10.850 -6.986) 13.535 15.823 ( 0.013 2.827 -5.493) 6.178 16.535 ( -0.123 7.990 14.830) 16.846 17.016 ( 0.493 -9.679 5.872) 11.332 17.447 ( -2.774 -2.304 -2.786) 4.557 17.820 ( 13.225 4.412 10.824) 17.650 17.867 ( -12.642 2.846 -11.771) 17.507 18.390 ( -0.053 6.982 2.706) 7.488 18.628 ( -2.656 8.141 -4.502) 9.674 19.149 ( -0.074 13.743 -14.447) 19.940 21.115 ( -0.921 3.406 10.108) 10.706 21.598 ( -5.564 -0.064 4.187) 6.964 22.313 ( 1.520 -6.570 5.152) 8.486 22.659 ( 6.656 -4.532 -4.242) 9.101 ======================= Grid point 210 (108/165) ======================= q-point: (-0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 6.810 -6.831 21.973) 23.997 3.058 ( -20.069 19.132 24.123) 36.752 3.618 ( 2.103 9.267 -3.117) 10.001 3.878 ( -0.692 1.064 18.265) 18.309 4.212 ( 5.350 -3.194 -2.292) 6.639 4.455 ( -8.997 2.329 3.609) 9.969 4.495 ( 17.445 -4.396 2.279) 18.134 4.965 ( 4.653 10.309 0.878) 11.344 5.057 ( -4.390 10.468 2.632) 11.652 5.325 ( -5.362 -4.137 7.439) 10.061 5.580 ( 7.778 19.108 15.634) 25.885 6.033 ( 2.065 5.600 -6.223) 8.623 6.387 ( -8.801 -1.196 -2.849) 9.328 6.667 ( -5.032 -9.402 -0.096) 10.664 6.932 ( -0.141 -2.883 -7.348) 7.894 7.099 ( 5.176 -4.817 -0.625) 7.098 7.282 ( -0.382 -6.177 -2.965) 6.862 7.503 ( 4.017 -13.570 -2.749) 14.416 7.666 ( 1.075 6.709 -7.298) 9.971 7.867 ( 0.847 2.920 -5.012) 5.862 8.446 ( 4.652 -1.679 13.880) 14.735 8.604 ( 1.521 5.770 12.570) 13.914 8.997 ( -0.401 -5.941 -0.086) 5.956 9.124 ( -8.088 -4.242 -4.268) 10.081 9.491 ( -1.848 16.078 1.950) 16.301 9.794 ( -10.229 8.004 -1.919) 13.129 9.864 ( 3.402 3.513 0.151) 4.893 10.401 ( -0.054 1.960 1.310) 2.358 10.612 ( -0.501 -1.627 -3.540) 3.929 11.173 ( -0.084 16.261 -2.367) 16.433 11.433 ( 1.008 -11.712 8.736) 14.646 12.134 ( 0.828 5.363 -1.779) 5.711 12.494 ( -7.396 -5.275 3.003) 9.568 12.539 ( -7.188 5.083 -6.641) 11.027 13.098 ( 0.346 0.246 1.070) 1.151 13.242 ( 1.793 -10.336 -3.805) 11.159 13.474 ( 3.584 0.766 -13.110) 13.613 13.832 ( 3.437 -9.506 -4.283) 10.978 14.524 ( -4.369 1.908 8.033) 9.341 14.886 ( 3.925 -12.872 1.034) 13.497 15.681 ( 2.830 0.490 -5.698) 6.380 15.890 ( 3.520 -10.676 -5.079) 12.335 16.404 ( -1.343 8.440 13.890) 16.309 17.051 ( -4.159 6.089 -2.674) 7.843 17.473 ( -22.797 -4.018 -0.609) 23.156 17.584 ( 11.284 4.557 -0.340) 12.174 18.014 ( 22.938 4.158 7.940) 24.627 18.328 ( -0.687 1.685 0.434) 1.871 18.455 ( -5.227 7.806 -4.814) 10.556 18.900 ( -2.856 14.731 -12.964) 19.830 21.045 ( -1.471 3.917 10.619) 11.414 21.522 ( -4.674 1.531 -2.033) 5.322 22.436 ( 1.438 -5.833 6.936) 9.176 22.809 ( 4.232 -5.965 -4.867) 8.785 ======================= Grid point 213 (109/165) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 9.875 0.000 10.241) 14.226 3.128 ( -3.331 -0.000 -4.978) 5.989 3.600 ( 7.664 0.000 9.344) 12.085 4.041 ( -4.105 -0.000 7.437) 8.495 4.421 ( -1.199 -0.000 -3.144) 3.365 4.636 ( 25.669 0.000 28.044) 38.018 4.794 ( -2.565 -0.000 -15.489) 15.700 5.046 ( 9.420 0.000 -6.152) 11.251 5.325 ( -1.815 -0.000 -0.542) 1.894 5.452 ( 10.363 0.000 21.956) 24.278 5.655 ( 29.378 0.000 -0.929) 29.393 6.046 ( -3.565 -0.000 -1.067) 3.721 6.339 ( 1.559 0.000 21.981) 22.036 6.420 ( -3.219 -0.000 -16.512) 16.823 6.925 ( 3.545 0.000 0.832) 3.642 6.954 ( -11.105 -0.000 0.378) 11.111 7.498 ( -6.273 -0.000 7.461) 9.748 7.610 ( -0.826 -0.000 -2.719) 2.842 7.779 ( 1.197 0.000 -3.295) 3.506 8.238 ( -8.077 -0.000 5.398) 9.715 8.335 ( 0.380 0.000 5.072) 5.086 8.634 ( 0.720 0.000 -0.410) 0.828 8.909 ( -2.791 -0.000 6.575) 7.143 8.968 ( 15.817 0.000 -6.098) 16.951 9.122 ( -2.352 -0.000 11.797) 12.029 9.827 ( 10.759 0.000 -2.705) 11.094 9.876 ( -7.340 -0.000 3.160) 7.991 10.378 ( -5.678 -0.000 -6.471) 8.609 10.531 ( 7.568 0.000 -1.750) 7.768 10.975 ( 0.239 0.000 4.880) 4.886 11.623 ( -2.420 -0.000 13.963) 14.171 11.848 ( -0.898 -0.000 0.635) 1.100 12.118 ( 2.901 0.000 -11.895) 12.243 12.447 ( -5.761 -0.000 -9.592) 11.189 13.038 ( 1.216 0.000 -3.862) 4.049 13.229 ( -0.639 -0.000 -14.512) 14.526 13.779 ( 1.784 0.000 0.070) 1.785 14.048 ( -0.447 -0.000 -2.604) 2.642 14.337 ( -4.229 -0.000 7.135) 8.294 15.368 ( -11.307 -0.000 -4.088) 12.023 15.733 ( 4.874 0.000 10.651) 11.714 15.755 ( -11.863 -0.000 14.766) 18.941 16.541 ( 9.579 0.000 -13.937) 16.911 16.620 ( -0.690 -0.000 -0.443) 0.819 17.009 ( 1.008 0.000 -3.329) 3.478 17.721 ( -7.427 -0.000 -2.608) 7.872 18.036 ( -2.562 -0.000 6.228) 6.735 18.630 ( 14.263 0.000 3.787) 14.757 18.791 ( 6.361 0.000 -0.564) 6.386 19.163 ( 20.460 0.000 -15.159) 25.463 21.023 ( 3.299 0.000 14.606) 14.974 21.440 ( 2.604 0.000 -0.539) 2.659 22.472 ( -18.452 -0.000 3.730) 18.825 22.473 ( -2.524 -0.000 -2.135) 3.306 ======================= Grid point 214 (110/165) ======================= q-point: ( 0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 8.461 -5.832 2.605) 10.601 3.059 ( -4.276 1.765 -9.420) 10.494 3.682 ( -0.145 -3.149 10.232) 10.707 4.057 ( 10.920 2.213 7.036) 13.177 4.362 ( -2.939 3.951 -2.732) 5.631 4.698 ( 2.364 6.202 0.949) 6.705 4.822 ( 18.555 13.476 16.604) 28.312 5.133 ( 4.842 2.965 -6.055) 8.300 5.369 ( 2.641 -8.164 -0.214) 8.584 5.586 ( -3.837 -9.521 3.867) 10.969 5.930 ( -10.039 5.403 2.471) 11.666 6.140 ( 26.835 -6.041 6.183) 28.193 6.416 ( 4.899 -0.187 -15.696) 16.443 6.472 ( 15.837 -10.333 24.521) 30.966 6.725 ( -11.285 5.322 -0.679) 12.496 6.945 ( -3.406 4.566 7.491) 9.411 7.436 ( -1.596 -0.224 2.811) 3.241 7.568 ( -5.344 2.566 -3.435) 6.852 7.797 ( 0.399 -3.067 2.258) 3.830 8.201 ( -5.394 7.170 5.416) 10.481 8.284 ( 1.797 -1.856 6.234) 6.748 8.662 ( -2.161 -4.843 -2.803) 5.998 8.880 ( -4.675 -2.722 -5.053) 7.403 9.042 ( 8.972 6.372 18.336) 21.384 9.234 ( 4.550 -4.918 2.682) 7.217 9.783 ( 0.677 -0.643 0.273) 0.972 9.996 ( 3.817 -5.370 0.918) 6.652 10.240 ( -2.118 8.770 -6.589) 11.172 10.613 ( 0.644 -2.905 -1.698) 3.426 11.098 ( -1.123 -12.659 -0.256) 12.712 11.506 ( -3.080 8.460 11.365) 14.499 11.871 ( 3.493 0.378 -2.595) 4.367 12.215 ( 6.670 -5.548 -5.533) 10.290 12.401 ( -5.144 -3.678 -9.787) 11.653 13.072 ( 0.968 -2.113 -5.089) 5.595 13.239 ( 0.815 -2.025 -12.156) 12.351 13.746 ( -1.141 5.758 -0.729) 5.915 14.017 ( -0.820 3.603 -4.626) 5.921 14.267 ( -2.028 1.727 5.021) 5.684 15.070 ( -14.187 14.031 -4.291) 20.410 15.635 ( -5.164 2.514 9.975) 11.510 15.880 ( -2.161 -13.061 11.289) 17.399 16.494 ( 5.934 7.974 -4.175) 10.781 16.808 ( -3.364 -15.886 -5.605) 17.178 17.009 ( 4.604 3.579 -2.260) 6.254 17.691 ( -0.314 -1.704 -2.965) 3.434 18.021 ( -2.722 -1.017 7.640) 8.174 18.713 ( 10.830 6.420 3.853) 13.166 18.891 ( 4.504 -1.342 -0.223) 4.705 19.378 ( 15.717 -0.468 -17.410) 23.460 21.084 ( 4.093 -1.036 15.092) 15.671 21.494 ( 3.660 -1.864 2.304) 4.709 22.253 ( -17.235 -0.175 6.331) 18.362 22.448 ( -2.168 -0.778 -5.112) 5.607 ======================= Grid point 215 (111/165) ======================= q-point: ( 0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 3.108 -3.298 -1.163) 4.679 3.013 ( -1.292 -3.477 -14.697) 15.158 3.707 ( -4.036 -4.224 10.450) 11.972 4.195 ( 12.678 4.359 3.617) 13.886 4.231 ( 1.377 8.791 -0.215) 8.900 4.654 ( 2.968 2.870 7.268) 8.359 4.787 ( 8.479 12.941 16.966) 22.961 5.103 ( 4.758 6.415 -2.968) 8.520 5.581 ( -9.581 -1.211 -3.543) 10.286 5.609 ( 8.157 -6.489 9.722) 14.254 5.722 ( -10.798 -2.632 2.257) 11.341 6.381 ( -7.748 2.302 -7.448) 10.991 6.417 ( 6.895 -0.131 -5.324) 8.712 6.589 ( 11.700 1.976 2.759) 12.183 6.782 ( -1.472 8.378 12.935) 15.481 6.960 ( 11.049 -11.078 11.979) 19.705 7.345 ( -6.302 6.383 4.850) 10.197 7.486 ( -0.890 1.055 -6.874) 7.012 7.902 ( -3.232 8.309 5.339) 10.392 7.974 ( 1.701 -6.206 4.088) 7.624 8.404 ( 10.308 -1.483 9.886) 14.359 8.693 ( -7.052 -5.160 -4.322) 9.749 8.879 ( -3.767 -3.950 -4.469) 7.054 9.070 ( 6.703 4.056 19.846) 21.336 9.247 ( -2.337 2.593 -0.721) 3.565 9.907 ( -5.688 -8.854 10.212) 14.664 10.028 ( 3.086 -4.487 -7.714) 9.442 10.232 ( 11.747 -0.373 -3.450) 12.249 10.641 ( -2.671 -2.233 -3.836) 5.180 11.041 ( -7.402 13.317 -2.482) 15.437 11.559 ( 0.609 -16.169 7.357) 17.774 11.897 ( 6.540 4.131 -5.445) 9.460 12.365 ( -3.612 -8.435 3.263) 9.739 12.473 ( 7.612 -6.510 -11.241) 15.056 13.097 ( 0.825 0.342 -5.163) 5.239 13.267 ( 1.196 3.231 -6.153) 7.052 13.583 ( -4.998 7.063 -4.348) 9.683 13.903 ( -1.276 9.231 -9.018) 12.968 14.287 ( -0.682 -5.871 2.119) 6.279 14.746 ( -11.141 5.117 -3.397) 12.722 15.525 ( -1.258 7.121 7.215) 10.215 16.050 ( -5.148 -11.669 4.732) 13.604 16.464 ( 8.108 5.433 2.771) 10.146 16.913 ( -0.045 -0.211 -1.854) 1.867 17.053 ( -6.437 -11.157 -0.108) 12.881 17.753 ( 6.379 -1.602 -4.984) 8.252 17.993 ( -2.840 0.919 8.224) 8.749 18.727 ( 7.603 6.744 3.273) 10.678 18.904 ( 0.545 3.011 -2.102) 3.712 19.513 ( 9.933 2.592 -17.530) 20.314 21.153 ( 4.189 -0.515 14.132) 14.749 21.561 ( 1.300 -1.658 7.880) 8.157 22.105 ( -11.697 -3.807 5.385) 13.427 22.454 ( -0.207 -2.508 -7.063) 7.497 ======================= Grid point 216 (112/165) ======================= q-point: (-0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( -1.183 8.632 -3.408) 9.356 3.167 ( 1.458 -14.976 -14.796) 21.103 3.745 ( -1.371 -3.900 6.476) 7.683 4.013 ( -2.027 11.740 0.978) 11.954 4.341 ( 9.547 -1.009 10.810) 14.458 4.607 ( 0.481 18.332 23.920) 30.141 4.702 ( 4.559 0.514 5.394) 7.081 5.000 ( -2.497 11.070 3.607) 11.908 5.397 ( -4.631 0.692 -2.122) 5.141 5.657 ( -6.514 0.242 0.959) 6.589 5.950 ( 10.929 -12.474 0.087) 16.585 6.161 ( -11.855 2.502 -7.385) 14.189 6.378 ( -6.422 4.017 -2.732) 8.052 6.625 ( -2.758 7.435 14.694) 16.697 6.859 ( 20.453 0.173 6.118) 21.349 7.000 ( 1.010 4.220 -4.226) 6.057 7.199 ( -0.140 10.226 13.536) 16.965 7.514 ( -1.083 -2.949 -4.160) 5.213 7.656 ( -7.278 4.579 -0.499) 8.613 8.217 ( 11.822 -0.913 -1.991) 12.023 8.457 ( -0.261 8.015 4.512) 9.202 8.707 ( -0.508 -6.288 3.159) 7.056 8.920 ( -2.265 -4.539 1.933) 5.429 9.094 ( 0.669 -6.389 17.661) 18.793 9.191 ( 0.472 2.943 -6.418) 7.076 9.894 ( -3.852 -3.343 9.084) 10.417 10.323 ( 1.477 -21.697 -2.203) 21.858 10.389 ( 11.928 -0.199 -1.022) 11.973 10.583 ( -9.273 2.941 -1.325) 9.818 10.729 ( -2.041 14.149 -5.666) 15.377 11.770 ( -4.899 -6.547 -4.790) 9.476 11.933 ( 9.510 -2.241 0.393) 9.778 12.466 ( -2.778 -11.565 2.994) 12.266 12.650 ( 5.148 -1.756 -4.860) 7.294 13.047 ( -2.099 8.663 -7.587) 11.705 13.100 ( -0.154 9.322 5.302) 10.725 13.533 ( -1.618 -3.642 -10.727) 11.444 13.737 ( -0.640 8.743 -13.255) 15.892 14.407 ( 0.611 -9.193 0.436) 9.223 14.654 ( -6.325 -4.625 -1.009) 7.900 15.421 ( 1.517 5.642 3.865) 7.005 16.047 ( -3.638 4.207 -7.500) 9.337 16.563 ( 5.389 -5.560 14.235) 16.205 16.880 ( 2.619 5.170 4.663) 7.438 17.145 ( -11.394 -14.933 -1.723) 18.863 17.850 ( -1.437 -3.281 -12.988) 13.473 17.959 ( 8.890 4.708 14.310) 17.493 18.670 ( 2.237 8.840 1.556) 9.250 18.832 ( -1.452 5.284 -3.095) 6.293 19.509 ( 4.206 8.147 -17.457) 19.719 21.200 ( 3.800 1.783 12.941) 13.605 21.562 ( -4.801 -1.099 10.645) 11.729 22.109 ( -2.701 -7.038 4.177) 8.618 22.516 ( 1.644 -4.728 -7.556) 9.064 ======================= Grid point 217 (113/165) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( 1.149 10.314 3.050) 10.816 3.415 ( -0.000 -15.416 -12.791) 20.032 3.657 ( -5.615 15.192 3.819) 16.641 3.948 ( -0.082 -6.438 4.583) 7.903 4.237 ( -12.538 15.840 27.945) 34.482 4.471 ( -0.632 -3.064 7.172) 7.825 4.678 ( 13.612 14.859 6.720) 21.242 4.903 ( -0.374 -5.388 10.343) 11.668 5.392 ( 0.493 3.060 -3.063) 4.358 5.504 ( -1.600 12.041 -9.769) 15.588 5.947 ( -7.541 1.750 -4.956) 9.192 6.158 ( -10.753 -3.279 -1.937) 11.408 6.377 ( 10.193 -0.649 9.682) 14.074 6.532 ( 3.126 0.311 11.364) 11.790 6.871 ( 5.764 11.549 0.744) 12.929 7.007 ( -2.907 -2.494 5.142) 6.412 7.198 ( 7.366 3.517 7.678) 11.206 7.417 ( 5.103 5.720 -8.510) 11.454 7.656 ( -7.937 -7.188 0.022) 10.708 8.135 ( -1.316 10.732 -13.682) 17.439 8.440 ( 8.325 1.810 16.197) 18.301 8.746 ( 2.436 3.162 1.320) 4.204 8.912 ( -2.912 -1.229 -0.262) 3.172 9.137 ( 0.752 5.008 -8.404) 9.812 9.358 ( -0.116 -19.137 18.231) 26.431 9.884 ( -6.049 0.156 4.409) 7.487 10.273 ( -4.221 16.258 1.940) 16.909 10.506 ( 1.251 -2.474 -3.149) 4.195 10.534 ( -1.275 1.607 -7.627) 7.898 10.786 ( 1.579 -22.178 5.233) 22.841 11.663 ( -0.918 11.423 -10.721) 15.693 12.146 ( 3.770 -11.068 4.756) 12.623 12.516 ( -5.228 13.651 1.307) 14.676 12.648 ( -3.764 -14.487 -1.532) 15.046 12.901 ( 1.717 9.592 0.616) 9.764 13.091 ( 2.290 -4.243 0.717) 4.874 13.569 ( 1.541 -0.236 -12.978) 13.072 13.643 ( 0.745 1.574 -13.057) 13.172 14.560 ( 0.854 -8.185 0.696) 8.259 14.655 ( -2.368 -1.342 1.861) 3.298 15.448 ( 4.259 -5.843 -1.636) 7.413 15.894 ( -3.629 7.942 -10.868) 13.941 16.662 ( 2.752 2.590 18.004) 18.396 16.868 ( -2.760 -4.594 6.998) 8.815 17.257 ( -3.676 -11.469 -1.559) 12.144 17.769 ( -7.491 2.472 -7.415) 10.826 18.098 ( 16.663 1.544 7.685) 18.415 18.532 ( 0.052 9.642 -0.351) 9.649 18.705 ( -3.341 7.614 -3.931) 9.197 19.359 ( -0.391 13.188 -17.207) 21.684 21.188 ( 1.799 4.952 12.844) 13.883 21.520 ( -5.498 -1.675 6.709) 8.834 22.223 ( 1.553 -7.562 5.800) 9.656 22.620 ( 1.559 -6.313 -7.264) 9.749 ======================= Grid point 218 (114/165) ======================= q-point: (-0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 7.570 1.220 14.342) 16.264 3.202 ( -14.354 24.272 18.714) 33.843 3.579 ( -3.702 -8.024 -10.780) 13.939 3.964 ( -1.681 7.954 24.166) 25.497 4.115 ( 0.850 -10.865 -6.734) 12.811 4.348 ( -10.791 1.760 6.964) 12.963 4.810 ( 25.265 5.857 5.542) 26.521 5.046 ( -1.693 -7.116 6.701) 9.920 5.153 ( -5.877 9.290 -4.574) 11.907 5.397 ( 9.375 13.566 -2.682) 16.706 5.875 ( 1.034 4.063 -1.853) 4.584 6.091 ( -8.446 -2.673 2.956) 9.339 6.358 ( 5.803 12.577 10.786) 17.556 6.527 ( -5.680 0.861 5.950) 8.271 6.962 ( 13.899 -2.622 -2.036) 14.290 7.038 ( -8.813 -7.993 1.090) 11.947 7.092 ( -2.953 1.235 -1.147) 3.400 7.538 ( 11.990 1.550 -2.991) 12.455 7.632 ( -5.220 -5.619 0.581) 7.691 8.043 ( 5.791 5.427 -8.593) 11.698 8.524 ( 7.360 0.706 13.113) 15.053 8.709 ( 1.945 3.913 6.666) 7.971 8.894 ( -6.991 -1.687 -2.353) 7.567 9.064 ( 2.198 4.465 -6.749) 8.385 9.537 ( -5.403 -3.980 12.992) 14.623 9.716 ( -11.326 4.775 0.278) 12.295 10.046 ( 3.217 11.388 -3.313) 12.288 10.458 ( -2.386 2.320 -1.541) 3.667 10.565 ( 0.898 -2.082 -2.825) 3.622 11.143 ( -2.361 -22.625 9.264) 24.562 11.439 ( 0.869 16.366 -9.265) 18.827 12.257 ( -6.237 10.021 -0.811) 11.831 12.326 ( 1.728 -7.159 4.112) 8.435 12.594 ( -6.503 9.671 -2.867) 12.002 12.983 ( 2.707 -12.654 5.631) 14.112 13.174 ( 0.802 -3.033 -3.859) 4.973 13.547 ( 3.193 3.814 -13.721) 14.594 13.727 ( 2.833 -8.408 -8.826) 12.515 14.543 ( -3.216 4.814 3.202) 6.616 14.764 ( 3.786 -9.060 2.971) 10.259 15.674 ( 7.262 -10.426 -7.184) 14.596 15.756 ( -5.113 -1.049 -9.197) 10.575 16.589 ( 2.415 10.835 19.466) 22.408 16.921 ( -8.537 -9.654 4.357) 13.604 17.285 ( -8.491 4.088 -2.700) 9.803 17.722 ( 7.290 -1.950 0.293) 7.552 18.258 ( 8.648 0.530 5.576) 10.303 18.427 ( 4.822 6.198 -3.877) 8.758 18.530 ( -1.274 9.543 -4.274) 10.534 19.109 ( -1.948 15.520 -16.019) 22.389 21.117 ( -0.027 5.750 12.771) 14.006 21.488 ( -2.713 -0.073 2.212) 3.501 22.356 ( 1.427 -6.675 6.355) 9.327 22.720 ( -1.761 -6.640 -6.518) 9.470 ======================= Grid point 222 (115/165) ======================= q-point: ( 0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 5.446 0.000 -3.643) 6.552 3.021 ( -3.466 -0.000 -11.662) 12.166 3.629 ( -4.225 -0.000 12.169) 12.882 4.249 ( 17.866 0.000 6.362) 18.965 4.309 ( -8.470 -0.000 3.932) 9.338 4.676 ( -5.697 -0.000 -10.235) 11.714 5.253 ( 4.787 0.000 -10.018) 11.103 5.311 ( 4.876 0.000 -2.067) 5.296 5.346 ( 26.594 0.000 23.610) 35.562 5.413 ( -4.438 -0.000 16.574) 17.158 5.842 ( -13.110 -0.000 0.821) 13.136 6.292 ( -3.992 -0.000 -3.320) 5.192 6.485 ( 7.438 0.000 -13.054) 15.025 6.600 ( 25.996 0.000 23.085) 34.767 6.676 ( 1.630 0.000 4.546) 4.830 6.958 ( -3.812 -0.000 10.635) 11.298 7.444 ( 3.681 0.000 0.609) 3.731 7.511 ( -9.127 -0.000 -6.084) 10.969 7.722 ( -2.940 -0.000 4.473) 5.352 8.195 ( -10.349 -0.000 1.297) 10.430 8.390 ( 17.662 0.000 10.360) 20.477 8.591 ( -2.848 -0.000 -5.698) 6.370 8.768 ( -7.954 -0.000 -7.477) 10.917 9.207 ( 6.872 0.000 26.620) 27.493 9.273 ( 5.353 0.000 -1.824) 5.656 9.738 ( -4.507 -0.000 4.693) 6.507 10.010 ( 5.257 0.000 -4.478) 6.906 10.327 ( 2.735 0.000 -6.569) 7.116 10.574 ( -3.649 -0.000 0.878) 3.753 10.955 ( -2.023 -0.000 5.205) 5.585 11.542 ( -4.128 -0.000 7.254) 8.347 11.955 ( 8.992 0.000 -2.681) 9.384 12.252 ( -9.354 -0.000 -9.381) 13.248 12.290 ( 10.985 0.000 -10.376) 15.111 13.069 ( 1.425 0.000 -5.149) 5.342 13.229 ( 1.941 0.000 -14.119) 14.252 13.767 ( -2.800 -0.000 -0.643) 2.873 14.024 ( -1.297 -0.000 -3.107) 3.367 14.294 ( 0.453 0.000 3.847) 3.874 14.979 ( -19.465 -0.000 -5.238) 20.157 15.550 ( -5.111 -0.000 13.504) 14.439 15.819 ( 1.282 0.000 10.177) 10.258 16.481 ( -9.577 -0.000 -1.124) 9.643 16.729 ( 6.435 0.000 -4.341) 7.763 17.113 ( 6.541 0.000 -8.526) 10.746 17.685 ( 1.114 0.000 -6.584) 6.678 18.024 ( 3.044 0.000 15.279) 15.579 18.883 ( 6.297 0.000 5.967) 8.675 18.923 ( 3.962 0.000 -0.201) 3.967 19.524 ( 10.746 0.000 -20.446) 23.098 21.145 ( 5.843 0.000 15.963) 16.999 21.532 ( 4.849 0.000 1.879) 5.200 22.043 ( -16.866 -0.000 9.433) 19.324 22.409 ( -2.459 -0.000 -6.836) 7.265 ======================= Grid point 223 (116/165) ======================= q-point: ( 0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( 1.655 -5.017 -6.612) 8.463 2.979 ( -0.831 0.975 -14.181) 14.239 3.607 ( -3.584 -2.898 13.487) 14.253 4.213 ( -9.784 -3.183 8.283) 13.209 4.401 ( 7.190 8.190 0.833) 10.930 4.615 ( 1.613 -1.980 -4.118) 4.846 5.146 ( -7.580 6.694 11.794) 15.536 5.300 ( 8.779 10.235 2.326) 13.683 5.535 ( 13.785 -6.944 1.524) 15.510 5.580 ( -10.938 1.869 1.853) 11.250 5.671 ( 12.274 5.983 14.090) 19.620 6.130 ( -22.034 -3.605 -5.871) 23.086 6.529 ( 3.992 4.492 -7.799) 9.846 6.822 ( 9.081 2.303 8.805) 12.857 6.865 ( 5.466 -0.122 13.498) 14.563 6.956 ( 11.156 -7.743 13.254) 18.976 7.337 ( -9.620 4.771 -7.381) 13.030 7.509 ( 4.044 1.672 -4.930) 6.592 7.846 ( 8.451 -13.757 9.492) 18.729 7.982 ( -10.327 9.146 -0.440) 13.801 8.565 ( -3.528 -1.661 -6.225) 7.345 8.585 ( 11.427 1.281 13.653) 17.850 8.754 ( -0.232 -4.956 -9.741) 10.932 9.222 ( -1.975 6.623 14.766) 16.304 9.286 ( 5.328 1.960 6.397) 8.553 9.734 ( -3.594 -4.971 9.286) 11.129 10.054 ( 4.317 2.298 -10.557) 11.635 10.363 ( 8.142 0.364 -0.615) 8.173 10.533 ( -7.233 -3.478 0.601) 8.048 11.012 ( -4.827 -6.565 0.151) 8.150 11.440 ( -3.253 3.641 6.696) 8.287 12.063 ( 10.856 1.718 -3.017) 11.398 12.177 ( -7.876 -5.395 -5.582) 11.059 12.483 ( 11.376 -6.103 -11.479) 17.275 13.093 ( 0.840 -1.451 -6.063) 6.290 13.278 ( 3.276 -2.315 -12.930) 13.538 13.658 ( -5.767 8.485 -0.901) 10.298 13.978 ( -2.291 3.761 -5.051) 6.701 14.275 ( 2.286 2.756 3.335) 4.893 14.693 ( -14.348 6.196 -4.472) 16.256 15.555 ( -1.424 -2.237 12.573) 12.850 15.850 ( -2.336 -4.725 7.408) 9.092 16.474 ( -6.571 -11.325 2.126) 13.265 16.780 ( 2.691 0.378 -2.330) 3.579 17.124 ( 4.759 7.163 -6.900) 11.026 17.715 ( -1.905 -4.473 -9.495) 10.667 18.082 ( 8.523 2.598 17.462) 19.604 18.893 ( 3.408 5.130 4.925) 7.886 18.943 ( -0.027 1.774 -1.500) 2.323 19.614 ( 5.071 -0.094 -20.492) 21.110 21.225 ( 6.517 0.233 15.416) 16.739 21.578 ( 1.764 1.647 5.009) 5.560 21.907 ( -10.198 -5.020 9.592) 14.873 22.397 ( -1.826 -2.439 -8.458) 8.990 ======================= Grid point 224 (117/165) ======================= q-point: (-0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( 0.317 -0.648 -6.849) 6.887 2.993 ( 0.747 -5.795 -14.294) 15.442 3.647 ( -1.473 -5.560 10.255) 11.758 4.190 ( -2.600 3.189 2.245) 4.687 4.225 ( -8.742 1.088 5.944) 10.627 4.657 ( -3.918 6.835 20.733) 22.179 4.973 ( -5.310 5.569 3.065) 8.282 5.101 ( -8.777 9.272 -0.109) 12.768 5.476 ( 10.509 6.204 -0.552) 12.216 5.701 ( 11.331 7.066 13.115) 18.717 5.904 ( 1.160 -11.022 0.097) 11.084 5.929 ( -6.418 -3.657 -3.205) 8.052 6.442 ( -2.138 7.600 -3.341) 8.573 6.692 ( -5.488 6.087 11.828) 14.390 7.012 ( -4.652 3.667 2.416) 6.397 7.145 ( 13.835 -0.597 4.275) 14.493 7.212 ( -2.166 -5.561 1.603) 6.179 7.511 ( 4.249 3.703 -5.849) 8.123 7.748 ( -0.543 10.965 -1.567) 11.090 8.234 ( 7.998 -13.002 5.630) 16.270 8.488 ( -6.586 -0.056 2.701) 7.118 8.694 ( 3.331 -4.602 9.933) 11.442 8.827 ( 5.471 0.384 -4.536) 7.117 9.061 ( -6.259 5.760 7.374) 11.258 9.339 ( 10.760 4.530 -0.052) 11.675 9.787 ( -3.021 -5.693 15.622) 16.899 10.098 ( 1.073 -6.712 -8.150) 10.612 10.472 ( -7.575 -0.961 -2.080) 7.914 10.498 ( 6.220 -2.600 0.627) 6.770 10.912 ( -2.317 11.255 -5.378) 12.688 11.486 ( -5.640 -14.429 6.782) 16.912 12.122 ( 9.125 6.270 -10.165) 15.031 12.235 ( -4.405 -11.597 4.188) 13.094 12.695 ( 9.836 -4.157 -9.856) 14.531 13.110 ( -0.495 1.101 -6.884) 6.989 13.261 ( -2.351 11.946 1.669) 12.289 13.467 ( -2.072 0.146 -11.363) 11.551 13.850 ( -2.347 7.890 -9.142) 12.302 14.316 ( 2.672 -4.390 2.135) 5.565 14.541 ( -4.036 -1.140 -2.953) 5.129 15.533 ( 0.826 5.147 10.371) 11.607 15.909 ( -6.838 -8.267 2.077) 10.928 16.621 ( 4.124 -6.190 10.125) 12.564 16.815 ( -3.521 -8.530 -6.328) 11.189 17.028 ( 2.264 9.137 0.301) 9.418 17.736 ( -5.520 -3.894 -9.209) 11.421 18.168 ( 12.011 2.887 14.425) 18.992 18.797 ( -2.742 7.601 -0.478) 8.095 18.895 ( 0.003 4.345 -0.693) 4.400 19.613 ( -0.643 3.160 -19.378) 19.644 21.302 ( 7.156 1.419 14.970) 16.653 21.504 ( -6.482 2.797 8.796) 11.278 21.975 ( 0.647 -8.754 7.073) 11.273 22.436 ( -1.049 -5.218 -9.161) 10.595 ======================= Grid point 225 (118/165) ======================= q-point: (-0.25 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 2.081 8.478 -4.230) 9.700 3.166 ( 0.139 -14.642 -11.646) 18.709 3.727 ( -1.262 -3.615 3.183) 4.979 3.952 ( -4.810 13.462 1.868) 14.417 4.258 ( -13.172 -0.652 13.604) 18.947 4.394 ( -3.214 2.736 26.222) 26.560 4.669 ( -19.739 5.049 10.512) 22.926 5.143 ( 13.038 -0.137 -9.122) 15.913 5.510 ( 11.392 10.687 6.406) 16.883 5.669 ( 2.557 5.839 -2.604) 6.885 5.824 ( -8.096 -4.793 -0.203) 9.411 6.058 ( -3.914 7.831 -2.213) 9.030 6.379 ( 3.768 -4.674 5.620) 8.224 6.594 ( 0.888 0.074 7.035) 7.091 6.919 ( -3.394 -0.585 -5.047) 6.110 7.198 ( 2.220 1.446 7.964) 8.393 7.252 ( -2.531 6.215 8.093) 10.513 7.506 ( -0.755 1.038 -5.004) 5.166 7.696 ( 18.559 8.454 -2.517) 20.548 8.138 ( -13.135 5.697 -5.535) 15.350 8.583 ( 6.903 0.459 16.004) 17.436 8.813 ( -4.543 -3.049 1.921) 5.798 8.891 ( 7.703 0.233 -3.276) 8.374 8.984 ( -5.785 -9.964 6.312) 13.137 9.399 ( 14.086 6.213 0.364) 15.400 9.801 ( -5.148 -0.648 10.559) 11.765 10.256 ( -9.917 -8.367 1.479) 13.059 10.354 ( -4.000 -6.834 -8.288) 11.463 10.619 ( 7.085 -1.121 2.263) 7.521 10.711 ( 0.390 12.055 -4.755) 12.965 11.638 ( -5.826 -11.198 1.793) 12.749 12.118 ( 4.667 3.112 -8.973) 10.583 12.394 ( -1.332 -12.757 4.558) 13.612 12.724 ( 1.029 13.987 -1.343) 14.089 12.998 ( -0.043 1.311 -8.383) 8.485 13.109 ( -1.022 5.814 6.293) 8.629 13.523 ( 1.146 -4.936 -14.929) 15.766 13.721 ( 0.317 6.112 -11.630) 13.142 14.458 ( 3.454 -8.356 0.708) 9.070 14.586 ( 1.040 -5.072 -0.715) 5.226 15.472 ( 1.906 3.239 5.278) 6.479 15.891 ( -7.575 -0.152 -4.839) 8.990 16.690 ( 3.001 0.851 8.786) 9.324 16.866 ( -4.640 2.391 10.578) 11.796 17.076 ( 6.787 -11.993 -3.219) 14.151 17.699 ( -5.575 -1.384 -6.166) 8.428 18.280 ( 10.027 1.154 10.126) 14.297 18.630 ( -4.815 7.051 -4.885) 9.837 18.805 ( 0.526 7.465 -1.505) 7.633 19.484 ( -5.217 7.776 -18.377) 20.625 21.316 ( 2.300 7.268 13.785) 15.753 21.433 ( -2.730 -2.933 9.159) 9.997 22.137 ( 3.684 -7.819 6.377) 10.741 22.511 ( -1.795 -6.827 -8.916) 11.372 ======================= Grid point 226 (119/165) ======================= q-point: (-0.12 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( 5.670 5.476 4.652) 9.153 3.361 ( -3.484 -8.505 -16.631) 19.002 3.446 ( -8.371 19.608 19.620) 28.974 3.942 ( -0.824 -10.731 -3.912) 11.452 4.047 ( -6.289 6.782 14.564) 17.253 4.309 ( -5.216 6.280 12.882) 15.251 4.705 ( -2.085 -21.347 16.117) 26.829 5.213 ( -2.732 6.646 -10.882) 13.040 5.393 ( 20.054 18.247 6.151) 27.802 5.636 ( -0.446 4.077 0.212) 4.107 5.813 ( -2.383 -1.731 -5.920) 6.612 5.925 ( -3.899 -2.506 -0.509) 4.663 6.432 ( -1.669 -1.885 3.415) 4.242 6.711 ( 8.510 0.942 7.261) 11.226 6.888 ( -3.154 3.155 4.191) 6.121 7.073 ( -8.345 3.630 2.051) 9.328 7.207 ( 13.312 9.353 3.821) 16.712 7.445 ( -7.516 -4.845 -2.194) 9.208 7.819 ( 17.220 8.168 2.712) 19.251 7.980 ( -11.239 -5.536 0.532) 12.540 8.632 ( 4.992 2.160 12.534) 13.663 8.703 ( -8.146 2.304 -1.101) 8.537 8.945 ( 6.334 5.017 -4.799) 9.398 9.097 ( -2.031 -7.213 -1.231) 7.594 9.493 ( 8.352 2.382 7.683) 11.596 9.683 ( -7.087 5.580 6.103) 10.891 10.141 ( -5.849 0.056 -2.828) 6.497 10.492 ( -0.737 7.800 -5.673) 9.673 10.550 ( 0.850 -3.197 -5.158) 6.128 10.787 ( -1.208 -15.737 8.091) 17.736 11.638 ( -0.424 5.593 -1.789) 5.887 12.138 ( -3.851 -3.101 -10.444) 11.556 12.487 ( 1.793 11.601 8.923) 14.746 12.558 ( -1.172 -5.895 -0.246) 6.015 12.957 ( 1.598 4.910 2.166) 5.599 13.104 ( -0.744 -5.720 -3.664) 6.833 13.614 ( 2.249 -4.611 -12.980) 13.957 13.658 ( 1.044 2.227 -11.930) 12.181 14.573 ( 0.653 0.747 -1.297) 1.633 14.694 ( 3.923 -7.031 5.164) 9.565 15.542 ( 1.705 -9.235 -3.356) 9.973 15.756 ( -4.341 5.272 -7.954) 10.483 16.723 ( -3.439 -4.648 4.956) 7.615 16.763 ( 0.235 7.626 19.081) 20.550 17.275 ( 2.069 -1.853 -2.387) 3.662 17.714 ( 2.457 -6.276 0.526) 6.761 18.326 ( -0.207 3.073 0.966) 3.228 18.498 ( -2.538 3.888 -0.643) 4.688 18.723 ( 7.375 6.923 -5.527) 11.527 19.263 ( -5.680 10.290 -16.902) 20.587 21.211 ( -1.570 6.041 11.786) 13.337 21.473 ( 2.078 -0.652 8.873) 9.136 22.289 ( 3.430 -5.838 5.490) 8.717 22.575 ( -4.837 -6.517 -7.925) 11.344 ======================= Grid point 231 (120/165) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( -2.051 -0.000 -7.375) 7.654 2.992 ( 2.121 0.000 -14.545) 14.699 3.556 ( -1.848 -0.000 15.416) 15.526 4.026 ( -14.576 -0.000 11.870) 18.798 4.536 ( -4.199 -0.000 -9.651) 10.525 4.641 ( 11.116 0.000 9.131) 14.386 5.035 ( -13.009 -0.000 9.466) 16.089 5.365 ( -19.667 -0.000 3.891) 20.048 5.545 ( 13.131 0.000 0.697) 13.149 5.627 ( 6.506 0.000 1.238) 6.622 5.850 ( -12.936 -0.000 -7.390) 14.898 5.993 ( 17.750 0.000 10.749) 20.751 6.602 ( -1.608 -0.000 -1.677) 2.323 6.820 ( -9.746 -0.000 16.843) 19.459 6.838 ( 0.308 0.000 11.727) 11.731 7.103 ( 15.069 0.000 8.698) 17.399 7.295 ( -2.832 -0.000 -12.462) 12.779 7.616 ( 6.437 0.000 -0.433) 6.452 7.837 ( 11.556 0.000 12.979) 17.378 7.916 ( -10.407 -0.000 -6.001) 12.014 8.504 ( -4.131 -0.000 -7.468) 8.534 8.543 ( -6.266 -0.000 -0.217) 6.269 8.932 ( 19.576 0.000 3.529) 19.892 9.187 ( -9.283 -0.000 -1.348) 9.381 9.408 ( 8.731 0.000 13.713) 16.256 9.704 ( 2.995 0.000 14.179) 14.492 10.141 ( 4.311 0.000 -15.179) 15.779 10.387 ( -11.393 -0.000 4.222) 12.151 10.430 ( 5.671 0.000 2.065) 6.035 10.896 ( -3.209 -0.000 2.662) 4.170 11.463 ( -2.607 -0.000 3.153) 4.091 11.988 ( -8.887 -0.000 -0.431) 8.898 12.241 ( 11.589 0.000 -11.215) 16.127 12.568 ( 11.811 0.000 -10.220) 15.619 13.080 ( -0.467 -0.000 -7.299) 7.314 13.301 ( 4.686 0.000 -15.779) 16.461 13.659 ( -5.630 -0.000 0.325) 5.639 13.975 ( -2.950 -0.000 -3.381) 4.487 14.363 ( 4.829 0.000 3.658) 6.058 14.559 ( -12.807 -0.000 -1.701) 12.920 15.533 ( 2.426 0.000 11.525) 11.778 15.814 ( -1.928 -0.000 8.855) 9.063 16.259 ( -7.695 -0.000 0.793) 7.736 16.836 ( 2.773 0.000 3.355) 4.352 17.249 ( 4.752 0.000 -12.462) 13.337 17.622 ( -5.567 -0.000 -6.773) 8.767 18.224 ( 9.866 0.000 17.425) 20.024 18.950 ( -1.888 -0.000 -2.523) 3.151 18.950 ( -0.380 -0.000 5.745) 5.757 19.626 ( -0.933 -0.000 -21.722) 21.742 21.307 ( 5.286 0.000 13.722) 14.705 21.658 ( 5.151 0.000 2.975) 5.948 21.741 ( -7.490 -0.000 14.045) 15.917 22.348 ( -2.039 -0.000 -9.018) 9.246 ======================= Grid point 232 (121/165) ======================= q-point: (-0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( -3.653 -6.665 -4.855) 9.019 3.010 ( 3.772 1.338 -12.923) 13.528 3.574 ( -0.363 -2.780 12.776) 13.080 3.926 ( -12.132 -7.861 13.345) 19.674 4.392 ( -1.504 11.271 -6.001) 12.857 4.704 ( -7.030 4.640 30.127) 31.282 4.902 ( -9.879 1.792 -6.490) 11.955 5.058 ( -12.730 3.986 -2.890) 13.649 5.549 ( -10.601 -2.754 -1.073) 11.006 5.713 ( 5.332 -0.373 1.918) 5.679 5.943 ( 10.785 -3.514 4.759) 12.301 6.087 ( 13.103 4.268 2.010) 13.927 6.498 ( -3.060 6.278 3.216) 7.689 6.712 ( -10.067 1.148 6.064) 11.809 6.829 ( -8.804 -1.214 14.975) 17.414 7.106 ( -5.136 3.906 -10.165) 12.040 7.386 ( 12.550 1.157 12.194) 17.537 7.644 ( 7.310 1.566 -3.863) 8.415 7.843 ( 1.585 0.155 -8.129) 8.284 8.089 ( 5.622 -12.467 14.603) 20.007 8.420 ( -5.995 1.794 -3.285) 7.067 8.535 ( -5.612 -6.542 -1.638) 8.774 8.998 ( -1.911 6.223 -0.525) 6.531 9.093 ( 0.005 2.427 2.236) 3.300 9.558 ( 17.660 0.671 3.019) 17.929 9.751 ( 5.580 2.962 17.359) 18.473 10.103 ( -1.537 4.486 -9.392) 10.521 10.299 ( -10.391 -4.696 -1.544) 11.507 10.544 ( 6.337 -3.512 1.985) 7.512 10.913 ( -3.129 -5.890 -1.881) 6.930 11.368 ( -2.748 5.538 4.621) 7.718 11.979 ( -6.389 -9.655 -2.513) 11.847 12.343 ( 11.168 3.816 -6.810) 13.626 12.737 ( 9.409 -4.694 -10.918) 15.158 13.076 ( -2.248 -1.806 -8.418) 8.899 13.357 ( 3.370 0.497 -12.576) 13.029 13.508 ( -5.748 9.629 -0.598) 11.231 13.899 ( -3.574 3.987 -3.379) 6.332 14.349 ( 2.969 3.429 2.958) 5.415 14.511 ( 0.891 -1.477 -1.075) 2.032 15.574 ( 1.376 0.010 13.207) 13.279 15.785 ( -2.837 0.028 5.667) 6.338 16.358 ( -1.694 -19.215 2.594) 19.464 16.841 ( 1.740 2.924 3.328) 4.759 17.200 ( 1.737 9.170 -8.140) 12.384 17.593 ( -6.540 -4.998 -6.988) 10.798 18.325 ( 7.755 1.269 14.982) 16.918 18.847 ( -5.475 6.234 -1.955) 8.524 18.941 ( -0.584 1.166 1.330) 1.863 19.576 ( -6.964 -0.380 -20.429) 21.587 21.355 ( -0.362 -1.433 11.452) 11.547 21.570 ( 2.376 9.244 10.657) 14.306 21.867 ( 4.228 -9.795 7.982) 13.324 22.348 ( -1.524 -3.102 -8.715) 9.375 ======================= Grid point 233 (122/165) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( -4.355 -5.635 -4.018) 8.177 3.061 ( 5.923 -2.568 -8.425) 10.614 3.629 ( -1.389 -5.385 5.282) 7.670 3.977 ( -8.234 -9.736 13.632) 18.666 4.174 ( -1.718 13.557 -1.167) 13.716 4.395 ( -15.747 9.211 22.673) 29.101 4.616 ( -11.745 10.763 13.030) 20.580 5.118 ( 2.058 -8.544 -13.184) 15.845 5.494 ( -7.965 -5.298 2.389) 9.860 5.748 ( -1.807 -2.454 4.959) 5.820 5.963 ( 6.418 12.023 3.865) 14.167 6.274 ( 10.018 2.317 -3.432) 10.840 6.349 ( -1.661 8.954 2.393) 9.416 6.558 ( -2.484 -0.185 4.088) 4.787 6.777 ( -12.564 -10.783 10.433) 19.570 7.039 ( -1.684 0.012 -0.680) 1.816 7.415 ( 2.212 3.158 7.245) 8.207 7.669 ( 6.986 9.979 -4.099) 12.853 7.902 ( -0.672 3.666 -10.638) 11.272 8.125 ( -0.377 3.691 4.137) 5.557 8.508 ( 1.073 -14.699 12.637) 19.414 8.601 ( -5.080 -10.702 2.479) 12.103 8.872 ( -5.090 2.564 -0.575) 5.728 9.053 ( 3.004 4.996 3.194) 6.648 9.736 ( 19.481 10.836 -5.988) 23.083 9.762 ( 0.442 -2.169 16.972) 17.116 10.026 ( -7.873 -3.454 -2.621) 8.988 10.245 ( -5.196 -1.403 -8.803) 10.318 10.639 ( 2.432 -1.833 2.408) 3.882 10.935 ( 4.812 6.776 -7.077) 10.916 11.352 ( -5.374 -11.446 7.719) 14.815 12.070 ( -4.218 -9.098 -5.310) 11.348 12.397 ( 9.403 4.108 -2.429) 10.545 12.880 ( 6.146 -1.034 -9.926) 11.721 13.024 ( -5.536 5.904 -6.325) 10.271 13.195 ( -2.393 10.423 8.489) 13.654 13.465 ( 1.136 -3.357 -18.120) 18.463 13.796 ( -1.385 4.724 -5.869) 7.660 14.406 ( 4.864 -4.180 1.682) 6.631 14.571 ( 5.442 -1.265 -1.572) 5.804 15.555 ( 0.007 4.063 11.325) 12.032 15.771 ( -3.764 -3.181 2.042) 5.334 16.695 ( 2.088 -18.711 7.907) 20.420 16.783 ( -0.323 6.200 -0.657) 6.243 17.109 ( 4.827 2.997 -0.439) 5.699 17.583 ( -6.469 -4.199 -5.847) 9.678 18.382 ( 3.615 1.029 10.547) 11.197 18.661 ( -6.909 7.174 -4.069) 10.759 18.906 ( 1.222 3.680 -1.574) 4.185 19.446 ( -11.972 1.665 -18.460) 22.065 21.328 ( -6.703 -0.002 8.147) 10.550 21.520 ( 8.384 6.182 14.356) 17.738 22.078 ( 6.373 -8.524 6.076) 12.255 22.387 ( -2.162 -4.839 -8.022) 9.615 ======================= Grid point 234 (123/165) ======================= q-point: (-0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( -3.523 -0.310 -2.664) 4.428 3.216 ( 5.759 -7.081 -5.606) 10.711 3.648 ( -4.526 9.894 3.836) 11.537 3.799 ( -4.478 0.217 5.020) 6.731 4.071 ( -5.561 7.127 6.543) 11.159 4.282 ( -9.956 -9.375 22.430) 26.270 4.479 ( 8.018 -3.148 13.097) 15.676 5.201 ( -5.499 -1.779 -8.697) 10.442 5.495 ( -6.661 -4.231 5.454) 9.593 5.778 ( 0.893 10.861 -0.375) 10.904 5.787 ( -2.381 -5.961 -1.742) 6.652 6.143 ( 16.026 20.634 0.659) 26.135 6.361 ( -3.728 -4.471 1.725) 6.072 6.592 ( -7.886 -8.513 4.021) 12.281 6.900 ( -5.341 -10.554 5.214) 12.927 7.035 ( 5.794 0.229 5.743) 8.161 7.402 ( 2.440 4.562 0.927) 5.255 7.494 ( -2.381 13.537 -2.218) 13.923 7.707 ( -11.326 1.192 1.348) 11.468 8.131 ( 3.862 5.116 0.945) 6.479 8.621 ( -7.996 -1.775 5.542) 9.889 8.701 ( 5.025 -1.551 0.979) 5.349 8.899 ( -1.771 -11.867 6.214) 13.512 9.036 ( 2.294 1.417 2.461) 3.650 9.663 ( -0.308 9.902 8.801) 13.251 9.831 ( 14.485 7.756 -2.312) 16.593 9.994 ( -9.769 -5.546 -2.591) 11.528 10.306 ( -0.754 -12.621 -9.621) 15.888 10.664 ( -0.763 0.523 2.986) 3.126 10.825 ( 7.174 14.765 -2.310) 16.578 11.524 ( -3.422 -14.343 3.239) 15.097 12.108 ( -2.272 -0.658 -10.514) 10.777 12.471 ( 5.531 -2.467 1.288) 6.192 12.742 ( 0.893 15.946 7.765) 17.759 12.990 ( -0.761 -4.739 -11.633) 12.584 13.073 ( -1.674 6.401 4.737) 8.137 13.529 ( 0.208 -5.052 -17.804) 18.508 13.724 ( 0.092 3.635 -7.795) 8.601 14.567 ( 5.129 -6.830 -0.467) 8.555 14.651 ( 2.940 -2.107 1.768) 4.026 15.498 ( -0.192 2.486 0.967) 2.675 15.763 ( -1.730 0.367 0.405) 1.814 16.673 ( -3.709 2.492 -0.357) 4.483 16.851 ( 2.201 0.454 17.172) 17.319 17.267 ( 7.476 -6.260 -0.902) 9.793 17.601 ( -2.532 -8.084 -1.482) 8.599 18.361 ( -2.794 4.093 -1.846) 5.289 18.513 ( -3.092 2.490 3.343) 5.190 18.865 ( 2.074 4.213 -6.972) 8.406 19.255 ( -10.851 2.413 -15.793) 19.313 21.239 ( -4.834 2.165 7.532) 9.208 21.554 ( 6.766 3.173 15.148) 16.892 22.268 ( 6.707 -5.537 3.889) 9.527 22.419 ( -4.809 -4.753 -7.339) 9.979 ======================= Grid point 240 (124/165) ======================= q-point: (-0.38 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( -4.067 -0.000 2.411) 4.728 3.038 ( -0.535 -0.000 -6.389) 6.411 3.571 ( 1.531 0.000 12.881) 12.971 3.752 ( -5.922 -0.000 9.746) 11.405 4.462 ( -2.411 -0.000 -4.819) 5.388 4.643 ( -11.264 -0.000 32.790) 34.671 4.850 ( -3.594 -0.000 -12.703) 13.202 4.892 ( -16.819 -0.000 -2.216) 16.965 5.370 ( -8.191 -0.000 -0.382) 8.200 5.861 ( 5.297 0.000 4.478) 6.936 5.950 ( -5.793 -0.000 4.942) 7.615 6.090 ( -2.270 -0.000 -4.433) 4.980 6.489 ( -7.114 -0.000 10.036) 12.302 6.613 ( 5.708 0.000 8.802) 10.491 6.955 ( -13.812 -0.000 -8.984) 16.477 7.014 ( 8.280 0.000 9.000) 12.229 7.511 ( -9.780 -0.000 1.463) 9.888 7.644 ( 15.604 0.000 13.928) 20.915 7.894 ( 4.577 0.000 -5.924) 7.486 8.102 ( 9.449 0.000 11.149) 14.614 8.361 ( -8.105 -0.000 -7.083) 10.764 8.441 ( -1.368 -0.000 -1.570) 2.083 8.960 ( -8.209 -0.000 -4.860) 9.540 9.072 ( -5.321 -0.000 -2.729) 5.981 9.724 ( 9.076 0.000 15.840) 18.256 10.001 ( 15.921 0.000 -1.796) 16.022 10.101 ( -5.025 -0.000 10.800) 11.912 10.136 ( -2.771 -0.000 -14.093) 14.362 10.570 ( 4.427 0.000 1.139) 4.571 10.806 ( -4.058 -0.000 -0.987) 4.176 11.428 ( -0.527 -0.000 3.101) 3.145 11.827 ( -3.385 -0.000 -4.835) 5.902 12.496 ( 9.675 0.000 -7.569) 12.284 12.789 ( 7.116 0.000 -9.415) 11.802 13.019 ( -4.099 -0.000 -9.777) 10.602 13.387 ( 2.812 0.000 -19.483) 19.685 13.536 ( -4.146 -0.000 4.801) 6.344 13.894 ( -2.544 -0.000 0.206) 2.553 14.447 ( 3.125 0.000 -0.701) 3.203 14.510 ( 6.649 0.000 6.586) 9.359 15.656 ( 6.301 0.000 10.349) 12.116 15.753 ( -4.357 -0.000 13.030) 13.740 16.165 ( 1.038 0.000 -2.697) 2.890 16.883 ( 1.475 0.000 5.655) 5.844 17.292 ( -0.644 -0.000 -11.712) 11.729 17.444 ( -8.527 -0.000 -4.143) 9.480 18.400 ( 2.447 0.000 13.750) 13.966 18.842 ( -6.103 -0.000 -5.335) 8.106 18.922 ( -1.281 -0.000 3.816) 4.026 19.441 ( -13.236 -0.000 -20.097) 24.064 21.310 ( -4.920 -0.000 10.084) 11.220 21.755 ( 2.124 0.000 0.784) 2.264 21.812 ( 11.144 0.000 15.385) 18.997 22.313 ( 0.141 0.000 -6.018) 6.020 ======================= Grid point 241 (125/165) ======================= q-point: (-0.25 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( -4.002 -4.920 7.548) 9.858 3.049 ( -1.783 -6.503 1.309) 6.869 3.577 ( -0.267 0.705 7.856) 7.892 3.800 ( 1.712 -6.876 7.835) 10.564 4.352 ( -4.468 7.786 3.099) 9.497 4.380 ( -13.096 15.767 7.663) 21.882 4.639 ( -6.218 4.745 14.902) 16.830 4.950 ( -3.914 -11.127 -10.900) 16.061 5.365 ( -2.070 -5.624 1.203) 6.112 5.635 ( -15.588 4.015 5.170) 16.906 6.015 ( -16.526 -15.669 -0.552) 22.780 6.140 ( 5.889 3.524 5.441) 8.758 6.465 ( -8.369 -1.302 16.235) 18.311 6.595 ( 0.079 9.457 -9.003) 13.057 6.759 ( 12.948 4.171 2.695) 13.868 7.138 ( 4.277 4.975 4.189) 7.784 7.341 ( -8.407 -3.043 0.641) 8.963 7.841 ( 0.773 2.513 1.765) 3.167 7.906 ( -3.051 3.768 -1.557) 5.093 8.188 ( 5.033 1.733 5.980) 8.005 8.298 ( -2.909 -10.504 4.017) 11.616 8.497 ( 5.839 -2.795 0.432) 6.488 8.850 ( -5.702 2.190 -3.723) 7.154 9.031 ( -5.594 -4.404 -3.287) 7.842 9.762 ( -2.010 1.738 15.104) 15.336 9.924 ( -7.941 1.065 2.900) 8.521 10.070 ( 3.502 3.155 -14.561) 15.305 10.266 ( 14.642 6.064 -2.169) 15.996 10.625 ( 0.042 -1.726 1.457) 2.259 10.877 ( 0.968 -13.048 -3.164) 13.461 11.343 ( 0.707 8.688 5.012) 10.055 11.892 ( -0.532 -8.862 -5.111) 10.244 12.566 ( 7.618 3.688 -5.748) 10.231 12.889 ( 3.896 -3.040 -11.286) 12.321 12.976 ( -4.333 -2.035 -7.751) 9.110 13.383 ( -0.538 11.159 3.768) 11.790 13.426 ( -0.832 -0.206 -15.232) 15.256 13.841 ( -0.874 3.728 0.315) 3.842 14.460 ( 6.458 2.618 1.617) 7.153 14.646 ( 7.936 -1.920 2.248) 8.468 15.595 ( -1.607 4.420 14.818) 15.546 15.758 ( 1.104 1.366 5.241) 5.527 16.418 ( 6.238 -21.609 0.329) 22.494 16.868 ( 0.130 4.850 2.490) 5.454 17.199 ( -0.162 4.358 -2.582) 5.068 17.414 ( -8.086 -6.158 -5.759) 11.682 18.407 ( -1.262 0.053 10.047) 10.126 18.692 ( -6.603 7.504 -4.419) 10.929 18.931 ( -0.517 -0.955 -0.442) 1.172 19.251 ( -18.725 -1.398 -17.768) 25.851 21.252 ( -5.951 -0.381 8.947) 10.752 21.707 ( 3.734 5.734 5.454) 8.750 22.045 ( 10.832 -7.242 7.466) 15.017 22.334 ( 1.393 -1.184 -2.779) 3.326 ======================= Grid point 242 (126/165) ======================= q-point: (-0.12 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( -8.724 -4.658 5.943) 11.538 3.224 ( 7.430 -9.016 0.937) 11.721 3.578 ( -3.000 -4.538 2.690) 6.069 3.882 ( -0.409 5.701 10.947) 12.349 4.067 ( -7.718 0.076 15.180) 17.029 4.175 ( 0.304 10.105 1.534) 10.225 4.580 ( 4.284 1.683 13.662) 14.417 5.039 ( -6.825 -7.010 -7.966) 12.616 5.436 ( 0.976 -2.174 5.113) 5.641 5.514 ( -13.439 -11.911 -0.092) 17.957 5.940 ( -11.628 10.160 7.485) 17.160 6.073 ( -12.217 -15.395 -3.922) 20.041 6.413 ( -2.583 -1.621 12.220) 12.595 6.589 ( 10.934 5.393 -5.062) 13.201 6.831 ( 5.887 11.092 6.257) 14.030 7.086 ( 5.622 -2.511 7.308) 9.556 7.396 ( -5.453 -6.136 -4.494) 9.359 7.609 ( -8.282 16.087 -8.493) 19.988 7.727 ( -6.586 3.821 -1.050) 7.686 8.141 ( -3.766 4.211 4.861) 7.453 8.494 ( -4.877 -3.150 4.876) 7.582 8.657 ( 6.203 -13.717 8.064) 17.078 8.808 ( 2.634 -0.353 -1.855) 3.241 9.052 ( -1.000 -2.018 1.110) 2.511 9.721 ( -6.055 -5.536 5.805) 10.050 9.835 ( -3.167 3.577 5.900) 7.591 10.084 ( 3.859 1.088 -12.169) 12.812 10.265 ( 7.749 7.505 -7.253) 12.999 10.637 ( -1.600 -1.522 1.124) 2.477 11.110 ( 9.227 -0.053 -6.226) 11.131 11.263 ( -2.551 -5.640 8.782) 10.744 12.018 ( 0.328 -7.007 -5.113) 8.680 12.573 ( 5.067 4.472 -3.556) 7.636 12.877 ( -5.594 1.666 -5.619) 8.102 12.998 ( 4.299 2.150 -5.871) 7.588 13.162 ( -1.070 11.594 8.871) 14.638 13.459 ( -0.167 -3.570 -20.312) 20.624 13.770 ( -0.556 4.210 -2.855) 5.117 14.532 ( 4.568 -3.343 3.102) 6.455 14.718 ( 5.692 3.175 -1.561) 6.702 15.558 ( 0.235 2.208 7.907) 8.213 15.752 ( 1.480 0.311 4.348) 4.604 16.662 ( -5.365 1.706 -5.513) 7.879 16.855 ( 7.268 -6.574 11.844) 15.373 17.269 ( 8.483 -6.040 3.012) 10.840 17.417 ( -7.162 -7.920 -4.131) 11.449 18.383 ( -2.167 2.047 1.083) 3.172 18.510 ( -5.433 4.477 0.832) 7.089 18.872 ( -10.749 2.438 -9.914) 14.825 19.090 ( -10.102 -4.958 -10.763) 15.571 21.192 ( -5.119 -0.270 7.488) 9.074 21.684 ( 2.877 3.285 9.262) 10.240 22.261 ( 7.517 -5.035 -1.042) 9.107 22.369 ( 3.207 -0.301 2.230) 3.918 ======================= Grid point 249 (127/165) ======================= q-point: (-0.25 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 3.411 0.000 18.621) 18.931 2.881 ( -10.711 -0.000 16.298) 19.503 3.592 ( -2.543 -0.000 8.042) 8.435 3.812 ( 7.865 0.000 -3.882) 8.771 4.362 ( -5.088 -0.000 4.922) 7.079 4.395 ( -9.578 -0.000 13.771) 16.774 4.672 ( -2.023 -0.000 -12.593) 12.754 4.728 ( -4.981 -0.000 5.255) 7.241 5.272 ( -5.065 -0.000 4.058) 6.490 5.502 ( -20.923 -0.000 20.689) 29.425 5.651 ( -9.884 -0.000 -10.736) 14.593 6.268 ( 6.235 0.000 5.303) 8.185 6.325 ( -15.942 -0.000 11.364) 19.578 6.772 ( 6.777 0.000 4.578) 8.179 6.834 ( 7.551 0.000 -16.755) 18.378 7.090 ( 0.175 0.000 -5.207) 5.210 7.374 ( -3.662 -0.000 7.010) 7.909 7.808 ( -2.243 -0.000 12.183) 12.388 7.958 ( -4.436 -0.000 -5.132) 6.784 8.143 ( -2.945 -0.000 3.396) 4.495 8.258 ( 3.385 0.000 6.165) 7.033 8.619 ( 14.491 0.000 -4.583) 15.199 8.798 ( -5.703 -0.000 -3.454) 6.667 8.887 ( -6.979 -0.000 0.205) 6.982 9.697 ( -11.413 -0.000 1.386) 11.497 9.889 ( -1.788 -0.000 11.955) 12.088 10.016 ( -6.493 -0.000 -13.524) 15.002 10.575 ( 16.318 0.000 -1.996) 16.440 10.606 ( -0.778 -0.000 -0.003) 0.778 10.746 ( -0.164 -0.000 -4.062) 4.066 11.445 ( 1.728 0.000 6.637) 6.858 11.827 ( 3.424 0.000 -7.758) 8.480 12.671 ( 5.211 0.000 -6.359) 8.222 12.888 ( -3.594 -0.000 -12.335) 12.848 12.915 ( 2.503 0.000 -4.947) 5.544 13.389 ( -0.456 -0.000 -22.373) 22.378 13.487 ( -0.889 -0.000 9.031) 9.075 13.879 ( 0.901 0.000 1.924) 2.125 14.641 ( 11.825 0.000 -1.849) 11.969 14.658 ( 4.452 0.000 10.562) 11.462 15.624 ( -6.516 -0.000 14.515) 15.911 15.812 ( 5.836 0.000 8.058) 9.950 16.312 ( 10.100 0.000 -3.533) 10.700 16.924 ( 0.034 0.000 -1.088) 1.088 17.226 ( -1.552 -0.000 -1.688) 2.294 17.239 ( -7.323 -0.000 -1.936) 7.574 18.376 ( -3.640 -0.000 8.051) 8.836 18.693 ( -5.294 -0.000 -6.630) 8.484 18.888 ( -2.894 -0.000 1.207) 3.135 18.968 ( -24.894 -0.000 -15.957) 29.569 21.182 ( -5.810 -0.000 9.007) 10.718 21.736 ( -3.489 -0.000 -4.642) 5.807 22.180 ( 17.720 0.000 10.871) 20.789 22.362 ( 3.846 0.000 1.816) 4.253 ======================= Grid point 250 (128/165) ======================= q-point: (-0.12 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( -2.628 7.151 20.985) 22.326 3.021 ( 2.483 -22.531 18.501) 29.260 3.512 ( -8.441 0.711 6.827) 10.880 3.929 ( 6.747 -2.365 -0.332) 7.158 4.107 ( -7.527 12.902 6.314) 16.217 4.345 ( 1.662 6.585 2.167) 7.129 4.593 ( -2.344 -0.964 9.705) 10.031 4.848 ( -2.426 -11.346 -10.250) 15.482 5.213 ( -8.496 -5.209 7.962) 12.756 5.366 ( -10.515 -4.796 22.574) 25.360 5.606 ( -11.299 -5.974 -2.704) 13.064 6.060 ( -7.158 6.499 -6.289) 11.534 6.372 ( 0.326 -4.231 7.749) 8.835 6.751 ( 7.939 5.945 -5.632) 11.406 7.057 ( 7.832 -7.566 -2.069) 11.084 7.166 ( -1.896 -8.695 -8.548) 12.340 7.188 ( -1.764 16.119 8.462) 18.291 7.647 ( -10.561 9.172 -6.483) 15.417 7.798 ( -5.981 8.217 -1.543) 10.280 8.154 ( -2.987 2.191 5.447) 6.587 8.409 ( 5.259 -10.613 8.554) 14.611 8.578 ( -6.180 5.988 0.755) 8.638 8.867 ( 9.164 -0.314 5.272) 10.577 8.955 ( 2.944 -11.714 -2.790) 12.396 9.555 ( -10.860 -0.759 -1.856) 11.043 9.838 ( -4.496 0.009 10.161) 11.111 10.000 ( -4.914 -6.694 -12.722) 15.192 10.522 ( 2.015 12.077 -3.824) 12.828 10.616 ( 1.485 0.453 -3.343) 3.686 10.935 ( 2.212 -15.471 -0.655) 15.642 11.413 ( 4.184 7.442 7.890) 11.625 11.937 ( 4.231 -6.227 -6.700) 10.078 12.680 ( 1.941 3.830 -4.767) 6.416 12.821 ( -5.833 0.595 -9.370) 11.053 12.991 ( 3.038 -4.259 -5.593) 7.659 13.376 ( -0.655 7.483 -5.113) 9.087 13.406 ( 0.766 2.114 -6.832) 7.193 13.852 ( 1.604 5.063 0.380) 5.325 14.603 ( 3.695 5.876 6.633) 9.601 14.840 ( 7.963 0.619 -0.046) 7.987 15.548 ( -1.743 -1.150 13.121) 13.286 15.836 ( 4.295 4.661 3.817) 7.398 16.571 ( 1.944 -9.320 -4.912) 10.713 16.863 ( 2.911 -2.951 -0.300) 4.156 17.207 ( -7.029 -3.379 -2.524) 8.198 17.303 ( 9.651 -5.269 7.274) 13.184 18.350 ( -3.002 -1.818 4.308) 5.557 18.541 ( -8.743 8.653 -4.117) 12.972 18.648 ( -23.683 -0.454 -11.995) 26.551 18.913 ( -4.614 -7.316 -3.979) 9.521 21.125 ( -5.159 -0.757 8.286) 9.790 21.688 ( -4.312 -0.711 -3.221) 5.429 22.363 ( 9.864 2.922 4.271) 11.139 22.441 ( 11.031 -1.529 5.620) 12.474 ======================= Grid point 258 (129/165) ======================= q-point: (-0.12 -0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( -3.515 -0.000 27.341) 27.566 2.724 ( 14.140 0.000 26.114) 29.696 3.333 ( -21.593 -0.000 13.957) 25.711 3.998 ( 7.278 0.000 -3.850) 8.233 4.204 ( -7.274 -0.000 6.782) 9.945 4.256 ( -5.182 -0.000 1.156) 5.309 4.633 ( -2.375 -0.000 4.002) 4.653 4.717 ( 7.273 0.000 -10.256) 12.573 5.079 ( -9.542 -0.000 36.290) 37.524 5.259 ( -2.256 -0.000 8.475) 8.770 5.496 ( -5.000 -0.000 -16.163) 16.919 5.996 ( -8.326 -0.000 -2.148) 8.599 6.339 ( 2.056 0.000 0.405) 2.096 6.855 ( 0.278 0.000 -5.239) 5.246 7.050 ( 9.369 0.000 -11.607) 14.916 7.144 ( 1.049 0.000 0.541) 1.181 7.331 ( 0.992 0.000 3.021) 3.180 7.636 ( -11.835 -0.000 -14.188) 18.476 7.690 ( -5.836 -0.000 0.656) 5.873 8.213 ( -9.008 -0.000 -2.502) 9.349 8.324 ( 10.583 0.000 17.149) 20.151 8.659 ( -6.009 -0.000 3.575) 6.992 8.846 ( 9.742 0.000 -4.168) 10.596 9.004 ( 11.806 0.000 10.200) 15.602 9.421 ( -10.799 -0.000 -1.982) 10.979 9.781 ( -8.632 -0.000 8.457) 12.085 9.809 ( -9.166 -0.000 -13.695) 16.480 10.598 ( 0.426 0.000 -3.104) 3.134 10.709 ( -4.264 -0.000 -0.851) 4.348 10.767 ( 1.949 0.000 -3.031) 3.604 11.510 ( 2.422 0.000 11.295) 11.552 11.947 ( 6.280 0.000 -7.283) 9.617 12.718 ( -1.167 -0.000 -3.999) 4.166 12.737 ( -7.854 -0.000 -9.821) 12.575 12.992 ( 2.860 0.000 -5.376) 6.090 13.357 ( -0.696 -0.000 -23.448) 23.458 13.496 ( 1.312 0.000 9.381) 9.472 13.923 ( 2.513 0.000 -0.059) 2.514 14.705 ( -1.625 -0.000 12.801) 12.904 14.958 ( 14.393 0.000 -1.304) 14.452 15.514 ( -3.067 -0.000 12.583) 12.951 15.957 ( 6.493 0.000 0.846) 6.547 16.514 ( 4.026 0.000 -1.404) 4.264 16.741 ( -13.727 -0.000 -9.238) 16.546 17.209 ( 7.897 0.000 1.163) 7.983 17.409 ( 16.074 0.000 11.642) 19.847 18.270 ( -30.802 -0.000 -6.685) 31.519 18.297 ( -2.881 -0.000 2.770) 3.996 18.603 ( -2.076 -0.000 -7.179) 7.473 18.746 ( -9.356 -0.000 -2.408) 9.661 21.061 ( -4.768 -0.000 8.537) 9.778 21.612 ( -5.709 -0.000 -6.828) 8.900 22.465 ( 3.801 0.000 6.528) 7.554 22.624 ( 17.615 0.000 2.806) 17.837 ======================= Grid point 259 (130/165) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.934 ( -10.335 -0.000 7.472) 12.753 3.033 ( 5.553 0.000 -0.344) 5.564 3.733 ( -3.217 -0.000 27.629) 27.816 4.111 ( 5.641 0.000 -10.247) 11.697 4.324 ( 4.439 0.000 12.998) 13.735 4.329 ( 3.245 0.000 7.459) 8.135 4.651 ( 1.949 0.000 6.155) 6.456 4.783 ( 1.830 0.000 -3.183) 3.672 4.935 ( -0.496 -0.000 -18.133) 18.140 5.011 ( -7.966 -0.000 -16.939) 18.719 5.678 ( -3.952 -0.000 32.264) 32.505 6.157 ( -2.704 -0.000 -14.903) 15.147 6.255 ( 11.977 0.000 18.261) 21.839 6.627 ( -5.118 -0.000 -15.820) 16.627 6.929 ( -13.325 -0.000 1.017) 13.364 7.038 ( 8.978 0.000 -8.188) 12.151 7.369 ( 11.433 0.000 3.380) 11.922 7.476 ( -5.707 -0.000 -5.742) 8.096 7.637 ( 7.633 0.000 2.852) 8.148 7.772 ( -10.098 -0.000 -9.590) 13.926 8.775 ( 1.678 0.000 10.327) 10.463 8.890 ( 3.641 0.000 13.595) 14.074 8.950 ( -6.387 -0.000 -5.866) 8.672 9.076 ( 7.292 0.000 -3.549) 8.110 9.262 ( -7.323 -0.000 -0.254) 7.328 9.378 ( -1.807 -0.000 -9.947) 10.110 10.020 ( 2.503 0.000 20.297) 20.451 10.388 ( -1.417 -0.000 -14.051) 14.123 10.604 ( -8.589 -0.000 6.663) 10.871 10.758 ( 6.382 0.000 -7.960) 10.203 11.884 ( 2.569 0.000 13.482) 13.725 12.004 ( 3.999 0.000 -1.585) 4.302 12.344 ( -10.804 -0.000 -1.190) 10.870 12.490 ( -1.799 -0.000 -10.462) 10.615 12.965 ( 1.456 0.000 -2.165) 2.609 12.995 ( -0.520 -0.000 -7.772) 7.789 13.745 ( 0.759 0.000 9.022) 9.054 13.905 ( 1.773 0.000 -6.374) 6.616 14.895 ( -7.463 -0.000 14.475) 16.286 15.166 ( 10.190 0.000 -10.938) 14.949 15.729 ( -0.265 -0.000 10.797) 10.800 15.939 ( 3.105 0.000 -9.876) 10.352 16.424 ( -6.656 -0.000 4.414) 7.987 16.500 ( 1.806 0.000 -2.663) 3.218 17.576 ( -22.491 -0.000 1.095) 22.517 17.619 ( 22.542 0.000 -1.904) 22.622 18.108 ( 17.448 0.000 8.204) 19.280 18.232 ( -7.698 -0.000 -2.621) 8.132 18.373 ( -11.886 -0.000 0.656) 11.904 18.463 ( 3.707 0.000 -6.258) 7.274 21.170 ( -0.441 -0.000 9.051) 9.062 21.343 ( -2.015 -0.000 -7.859) 8.113 22.671 ( -0.906 -0.000 7.077) 7.135 22.809 ( 2.993 0.000 -6.355) 7.025 ======================= Grid point 260 (131/165) ======================= q-point: ( 0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( -8.283 -3.480 12.827) 15.661 3.072 ( 2.323 2.224 -0.571) 3.266 3.726 ( -3.025 -0.866 19.948) 20.194 4.177 ( 4.970 3.101 -10.367) 11.908 4.250 ( 1.782 6.378 9.954) 11.956 4.388 ( 1.991 1.757 -3.239) 4.188 4.693 ( -3.423 -3.396 2.558) 5.458 4.826 ( 3.135 -12.521 3.203) 13.299 4.970 ( 5.807 1.862 -7.709) 9.829 5.104 ( 5.423 -10.166 -12.238) 16.809 5.769 ( 1.814 -9.985 23.439) 25.541 6.091 ( -6.991 0.237 -10.291) 12.443 6.376 ( 10.243 3.230 16.782) 19.925 6.569 ( -4.135 -1.984 -9.661) 10.694 6.815 ( -4.109 -0.442 -1.072) 4.269 7.125 ( 6.494 0.265 -4.779) 8.067 7.397 ( -0.999 7.092 -2.885) 7.722 7.496 ( 1.752 6.981 -5.457) 9.033 7.674 ( 3.458 -1.091 -5.905) 6.929 7.709 ( 11.633 -2.055 1.875) 11.961 8.766 ( 0.956 2.077 11.284) 11.514 8.795 ( -8.770 1.295 -2.010) 9.090 8.980 ( -2.108 -2.486 8.368) 8.981 9.096 ( -6.962 1.166 -7.655) 10.413 9.303 ( 4.466 -10.435 7.545) 13.629 9.413 ( 1.417 -4.473 -8.541) 9.745 10.065 ( 0.720 2.174 14.089) 14.274 10.391 ( 2.033 -2.548 -6.830) 7.568 10.564 ( -5.196 -6.485 5.444) 9.935 10.835 ( 3.572 -1.361 -10.019) 10.723 11.910 ( 3.599 2.942 15.236) 15.929 11.989 ( -5.341 1.586 -6.663) 8.686 12.262 ( -9.394 -6.065 0.628) 11.200 12.455 ( -0.497 0.864 -1.802) 2.059 12.987 ( -1.106 -2.103 -4.067) 4.710 13.029 ( 0.893 -4.596 -6.073) 7.668 13.716 ( 2.128 6.353 7.178) 9.819 13.875 ( 1.635 6.593 -7.883) 10.406 14.722 ( -8.090 8.029 11.879) 16.463 15.127 ( 6.141 14.385 -9.844) 18.481 15.714 ( 0.997 4.016 6.209) 7.462 15.925 ( 4.850 7.073 -10.118) 13.264 16.487 ( -3.970 -15.191 10.316) 18.787 16.672 ( 2.230 -15.537 -3.545) 16.092 17.289 ( -19.473 3.932 2.204) 19.988 17.857 ( 19.738 2.192 -2.475) 20.013 18.138 ( -10.695 -2.316 -7.120) 13.056 18.291 ( -0.033 -2.654 3.800) 4.635 18.357 ( 12.181 -4.374 4.545) 13.717 18.548 ( 6.115 -3.350 -4.268) 8.175 21.202 ( 0.898 -2.825 10.067) 10.495 21.350 ( 0.257 -2.860 -5.747) 6.425 22.624 ( -3.470 2.710 5.265) 6.863 22.781 ( -2.246 3.740 -6.608) 7.919 ======================= Grid point 261 (132/165) ======================= q-point: ( 0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( -3.922 -6.245 12.168) 14.228 3.018 ( -1.517 5.208 -3.700) 6.566 3.696 ( -0.431 1.759 14.028) 14.145 4.085 ( 1.462 9.791 -7.846) 12.632 4.147 ( -5.648 2.818 2.483) 6.782 4.463 ( -1.203 -4.887 2.298) 5.533 4.785 ( 2.202 -8.619 10.778) 13.975 5.025 ( 0.054 -8.827 -14.481) 16.960 5.103 ( 15.135 -6.622 5.991) 17.573 5.347 ( 10.210 -7.546 -7.631) 14.812 5.847 ( 0.343 6.374 -2.886) 7.005 6.023 ( -3.737 -0.727 2.051) 4.324 6.455 ( 0.371 -1.381 2.385) 2.781 6.583 ( -1.579 -8.985 17.713) 19.924 6.894 ( 3.662 -8.208 -3.357) 9.594 7.149 ( -4.427 3.515 5.210) 7.687 7.284 ( 12.280 9.017 1.516) 15.310 7.390 ( 3.715 3.978 -12.326) 13.474 7.653 ( -0.937 1.687 -9.410) 9.606 8.025 ( 18.177 -4.148 1.435) 18.699 8.673 ( -10.724 0.368 -2.904) 11.117 8.756 ( -2.291 -1.766 5.924) 6.593 8.938 ( 1.020 3.119 4.301) 5.409 9.057 ( 0.786 -0.886 0.405) 1.252 9.477 ( -2.344 -10.476 5.161) 11.911 9.568 ( 2.088 -10.619 -0.217) 10.824 9.965 ( -5.643 3.485 7.252) 9.828 10.480 ( 1.934 -1.493 2.992) 3.863 10.622 ( -3.057 -3.985 6.360) 8.104 10.882 ( 3.238 -1.792 -19.043) 19.399 11.793 ( -2.670 9.400 16.720) 19.366 11.925 ( -4.429 2.022 -8.440) 9.743 12.291 ( -7.772 -11.694 -4.486) 14.741 12.496 ( 3.264 -3.710 8.308) 9.666 12.999 ( -2.071 -1.906 -4.102) 4.975 13.115 ( 0.443 -4.596 -4.271) 6.290 13.615 ( 3.518 10.499 4.883) 12.102 13.734 ( 0.950 12.906 -10.481) 16.653 14.564 ( -5.861 1.222 7.590) 9.667 14.967 ( 1.855 9.930 -5.991) 11.745 15.632 ( 0.386 8.308 2.306) 8.631 15.840 ( 6.213 11.631 -7.856) 15.349 16.696 ( -7.398 -18.634 8.104) 21.624 16.933 ( 1.986 -9.273 0.456) 9.494 17.059 ( -6.232 0.358 4.171) 7.508 17.991 ( -9.372 -7.163 -10.035) 15.487 18.050 ( 11.790 10.121 2.609) 15.756 18.365 ( -1.295 -8.500 1.797) 8.784 18.597 ( 14.260 -4.273 -0.129) 14.888 18.684 ( 5.984 -4.115 -4.307) 8.444 21.255 ( -0.670 -2.841 6.201) 6.853 21.449 ( 4.987 -6.274 1.578) 8.168 22.525 ( -4.285 3.896 2.281) 6.224 22.651 ( -6.002 5.843 -5.176) 9.846 ======================= Grid point 262 (133/165) ======================= q-point: ( 0.38 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.868 ( -1.211 6.672 9.246) 11.466 2.952 ( -2.779 -7.017 -8.853) 11.633 3.705 ( 4.776 0.876 11.137) 12.150 3.942 ( -1.277 8.565 -4.327) 9.680 4.058 ( -5.421 0.061 2.909) 6.153 4.493 ( -2.845 -3.775 -0.644) 4.770 4.901 ( -1.542 -4.443 18.462) 19.052 5.158 ( 2.653 -5.807 -9.480) 11.429 5.484 ( 18.569 -7.200 -0.967) 19.940 5.503 ( 5.596 -6.201 -8.574) 11.970 5.705 ( 0.159 8.960 -3.747) 9.713 5.946 ( -5.242 1.460 6.808) 8.715 6.426 ( -3.863 -1.570 1.540) 4.445 6.844 ( 6.744 -6.436 2.999) 9.793 6.925 ( -6.752 -0.286 6.996) 9.727 7.087 ( 4.108 -3.802 7.524) 9.378 7.201 ( 0.966 8.521 -5.084) 9.969 7.536 ( 4.211 1.831 -2.546) 5.251 7.723 ( 9.214 -12.691 -8.914) 18.040 8.093 ( 0.301 11.287 1.939) 11.456 8.549 ( -7.125 -0.565 -1.104) 7.232 8.791 ( 0.380 -3.233 2.975) 4.410 8.955 ( 3.732 -0.566 2.338) 4.441 9.137 ( 5.286 -3.238 -0.749) 6.244 9.592 ( -6.791 -9.907 10.743) 16.114 9.671 ( 1.458 -1.965 7.186) 7.591 9.977 ( 1.329 -8.970 -5.223) 10.465 10.429 ( -5.023 4.914 1.702) 7.230 10.562 ( -3.458 4.519 6.464) 8.611 10.936 ( 2.322 1.528 -12.528) 12.833 11.692 ( -0.832 1.440 8.202) 8.369 11.816 ( -2.783 2.903 -5.666) 6.948 12.394 ( -4.078 -9.374 -6.935) 12.353 12.628 ( 3.748 -7.048 10.928) 13.532 12.980 ( -1.454 1.654 -2.434) 3.282 13.138 ( -0.619 1.270 -0.452) 1.484 13.510 ( 0.071 14.212 -13.929) 19.900 13.552 ( 2.486 3.290 1.579) 4.416 14.534 ( -3.084 -3.004 3.487) 5.541 14.905 ( 0.008 -0.216 -1.034) 1.056 15.463 ( -2.255 11.455 -2.227) 11.885 15.755 ( 5.986 7.774 -3.555) 10.435 16.852 ( -8.862 -11.927 8.594) 17.165 16.893 ( -0.473 1.379 1.727) 2.260 17.234 ( 9.326 -7.540 5.119) 13.040 17.852 ( -12.357 2.347 -8.551) 15.209 18.115 ( 7.412 1.643 0.407) 7.603 18.492 ( -0.558 -8.324 2.489) 8.706 18.742 ( 6.097 1.861 4.122) 7.592 18.833 ( 6.931 -5.146 -12.124) 14.884 21.278 ( -1.315 -1.713 3.163) 3.830 21.636 ( 7.182 -7.343 7.457) 12.693 22.410 ( -5.112 4.692 -4.246) 8.135 22.491 ( -4.824 4.376 -0.170) 6.515 ======================= Grid point 263 (134/165) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( -3.022 5.313 5.890) 8.488 3.059 ( 2.300 -6.390 -9.424) 11.616 3.757 ( 2.387 3.484 8.000) 9.046 3.839 ( 1.981 -0.196 -1.051) 2.251 4.019 ( -2.335 -0.573 4.438) 5.047 4.532 ( 1.235 -2.823 -5.688) 6.469 4.895 ( -2.261 3.783 19.177) 19.677 5.243 ( 5.090 1.375 2.622) 5.888 5.478 ( -9.495 -0.098 -3.683) 10.184 5.527 ( 2.827 6.018 -5.321) 8.515 5.812 ( -0.057 0.663 -4.793) 4.839 6.012 ( 8.305 -9.014 -0.193) 12.258 6.438 ( 0.320 -4.111 -1.103) 4.268 6.690 ( -4.734 6.214 8.123) 11.270 6.993 ( -3.819 -1.835 4.564) 6.228 7.109 ( 0.997 0.907 -7.312) 7.435 7.312 ( 6.080 -3.625 8.104) 10.760 7.497 ( -4.863 2.035 -1.345) 5.441 7.816 ( -2.082 8.721 7.026) 11.392 7.970 ( -2.092 -5.351 -7.148) 9.171 8.524 ( -2.273 -1.460 -0.762) 2.807 8.828 ( 1.816 0.308 1.700) 2.506 8.991 ( 1.090 1.181 0.448) 1.668 9.197 ( -1.138 0.755 5.506) 5.673 9.630 ( -6.357 -9.457 9.964) 15.137 9.805 ( 10.545 -2.658 -6.158) 12.498 10.046 ( -1.228 5.357 2.627) 6.091 10.314 ( 1.242 4.937 -7.127) 8.759 10.562 ( 2.288 -11.133 0.695) 11.387 10.864 ( -2.920 5.815 3.890) 7.581 11.603 ( -3.609 5.994 -5.831) 9.108 11.896 ( 5.334 -8.241 0.339) 9.823 12.423 ( -1.811 1.651 -8.595) 8.938 12.801 ( 3.685 -8.983 8.863) 13.147 12.914 ( -1.090 4.824 -1.704) 5.231 13.118 ( -1.325 -2.341 5.569) 6.185 13.301 ( -0.719 9.708 -13.473) 16.622 13.575 ( 0.285 -2.016 -2.186) 2.987 14.562 ( -0.155 -2.609 -0.161) 2.619 14.908 ( 1.049 3.946 4.230) 5.879 15.325 ( -2.713 -1.546 -3.495) 4.687 15.737 ( 2.229 1.404 -2.372) 3.545 16.823 ( 1.874 5.263 9.357) 10.898 16.958 ( -4.410 -7.733 -0.922) 8.950 17.445 ( 12.080 -3.027 8.223) 14.923 17.648 ( -9.747 6.472 -8.372) 14.387 18.157 ( -0.785 -2.066 -1.362) 2.596 18.571 ( -3.546 -4.022 2.940) 6.115 18.734 ( 0.658 4.214 2.598) 4.994 18.932 ( 3.206 -0.191 -11.699) 12.131 21.281 ( -1.043 -0.404 2.721) 2.942 21.802 ( 3.444 -3.319 6.959) 8.445 22.271 ( -3.656 3.051 -4.927) 6.852 22.439 ( 1.011 0.255 1.523) 1.845 ======================= Grid point 264 (135/165) ======================= q-point: (-0.38 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( -1.958 1.014 12.389) 12.583 3.177 ( 4.770 -3.461 -14.876) 16.000 3.696 ( -0.357 2.673 6.766) 7.283 3.972 ( 5.347 -7.844 0.426) 9.503 4.019 ( 0.833 -0.263 3.945) 4.041 4.596 ( 5.332 -0.066 -11.665) 12.826 4.749 ( 0.256 14.177 24.342) 28.171 5.151 ( -12.125 4.622 17.794) 22.023 5.402 ( -2.634 3.536 -21.152) 21.606 5.512 ( -0.469 2.269 -0.762) 2.439 5.674 ( -3.711 3.675 0.841) 5.290 6.142 ( 0.503 -0.965 -8.904) 8.970 6.453 ( -3.845 0.580 -0.417) 3.911 6.729 ( 4.605 -0.382 10.240) 11.235 6.963 ( -0.381 -5.494 10.661) 11.999 7.132 ( -5.978 -0.108 -2.518) 6.488 7.258 ( -6.424 -6.598 -6.755) 11.421 7.417 ( 4.397 5.650 7.809) 10.594 7.627 ( -13.420 13.672 -2.359) 19.302 8.077 ( -2.128 -11.825 3.370) 12.478 8.517 ( 0.299 -0.506 2.604) 2.669 8.828 ( 0.722 2.644 -0.990) 2.914 8.946 ( -0.068 3.927 1.970) 4.394 9.121 ( -3.571 2.253 1.832) 4.602 9.704 ( -0.942 -0.687 -3.707) 3.886 9.786 ( -2.788 11.553 -0.112) 11.885 10.039 ( 10.600 -2.269 -9.965) 14.724 10.330 ( 4.905 -1.723 9.110) 10.489 10.700 ( -8.215 5.368 7.683) 12.463 10.858 ( 7.772 -11.391 -16.204) 21.277 11.491 ( -0.828 2.869 8.436) 8.949 12.091 ( 6.634 -6.551 -3.918) 10.114 12.312 ( -1.537 7.557 -10.672) 13.167 12.804 ( -2.372 5.860 -4.187) 7.582 12.970 ( 3.997 -4.064 1.622) 5.927 13.187 ( -0.753 3.097 -6.343) 7.099 13.223 ( 0.240 -10.732 10.268) 14.855 13.614 ( -1.715 -5.301 -3.591) 6.628 14.607 ( 2.915 -1.589 -3.296) 4.678 14.819 ( 1.161 6.447 6.248) 9.052 15.447 ( -1.730 -14.692 -0.189) 14.795 15.752 ( -1.609 -2.840 -2.609) 4.179 16.750 ( 2.653 8.667 9.525) 13.148 17.017 ( 1.633 -3.158 -2.960) 4.626 17.402 ( -7.572 10.994 -8.882) 16.034 17.630 ( 14.638 1.350 11.089) 18.413 18.161 ( -9.473 -6.565 -3.352) 12.003 18.513 ( -6.959 3.145 1.386) 7.762 18.644 ( -2.404 6.050 3.558) 7.419 18.913 ( -1.746 2.827 -10.675) 11.180 21.268 ( -0.795 0.869 3.497) 3.690 21.758 ( -6.204 5.670 -2.633) 8.807 22.308 ( 5.980 -5.022 3.685) 8.635 22.491 ( 4.458 -2.171 0.782) 5.019 ======================= Grid point 265 (136/165) ======================= q-point: (-0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( 1.404 -5.167 16.532) 17.378 3.234 ( 2.915 2.463 -15.620) 16.079 3.696 ( 1.511 -1.366 12.333) 12.500 4.047 ( 2.189 -0.855 0.603) 2.426 4.167 ( 2.961 -9.044 -2.813) 9.924 4.490 ( 0.162 14.824 18.410) 23.637 4.655 ( 5.096 5.398 -5.152) 9.036 4.897 ( -14.131 6.851 10.591) 18.942 5.185 ( -8.169 7.673 -4.113) 11.938 5.448 ( -3.398 5.591 -13.412) 14.923 5.730 ( 4.108 -5.541 -0.325) 6.905 6.031 ( -3.084 9.505 13.193) 16.550 6.444 ( -3.621 -3.724 -0.806) 5.257 6.733 ( 1.931 -0.427 3.928) 4.398 6.978 ( -5.999 10.659 -14.020) 18.605 7.115 ( -4.500 -4.297 11.366) 12.958 7.262 ( -10.775 -1.655 4.600) 11.832 7.330 ( 6.444 1.254 -9.098) 11.219 7.516 ( -1.915 -14.365 1.655) 14.586 8.063 ( -13.675 2.489 -0.888) 13.928 8.576 ( 4.653 -2.288 6.982) 8.697 8.774 ( 1.667 3.623 4.933) 6.344 8.945 ( 3.628 -0.991 -0.935) 3.875 9.108 ( 2.517 -0.816 -1.949) 3.286 9.496 ( -5.898 12.955 -0.279) 14.238 9.676 ( -1.035 6.796 -10.344) 12.420 10.162 ( 4.066 1.955 -3.815) 5.909 10.416 ( 0.188 -2.479 15.635) 15.831 10.538 ( -3.723 1.674 -3.453) 5.347 10.956 ( 1.059 4.754 -17.730) 18.387 11.574 ( 6.132 -7.632 15.546) 18.372 12.123 ( 3.695 10.802 7.099) 13.443 12.305 ( 0.818 -8.654 -20.711) 22.462 12.676 ( -4.416 5.234 -6.353) 9.342 13.002 ( 3.601 4.071 -3.344) 6.382 13.112 ( -0.817 4.965 -6.099) 7.907 13.466 ( 0.925 -16.201 14.288) 21.621 13.715 ( -0.696 -9.482 -3.601) 10.167 14.691 ( 5.883 -3.289 -2.330) 7.132 14.811 ( -0.843 -5.523 6.051) 8.236 15.648 ( -1.897 -12.256 3.309) 12.836 15.783 ( -2.231 -4.837 -3.454) 6.349 16.630 ( 2.101 10.965 8.497) 14.031 17.097 ( 2.096 17.366 -10.254) 20.276 17.131 ( 2.429 -2.409 -2.119) 4.024 17.765 ( 16.116 5.852 11.566) 20.682 18.098 ( -22.642 -8.687 -2.778) 24.410 18.385 ( -0.646 4.095 1.198) 4.315 18.502 ( -4.955 6.541 1.986) 8.443 18.799 ( -7.002 4.801 -9.203) 12.520 21.239 ( -0.980 1.764 5.306) 5.677 21.567 ( -7.123 6.826 -7.149) 12.183 22.490 ( 7.077 -6.464 5.864) 11.237 22.597 ( 6.162 -3.013 -0.150) 6.861 ======================= Grid point 266 (137/165) ======================= q-point: (-0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( 3.813 -8.772 11.387) 14.871 3.140 ( -3.365 7.953 -7.365) 11.350 3.758 ( 0.149 -1.481 23.844) 23.890 4.080 ( 2.962 1.883 -6.597) 7.473 4.184 ( -1.498 -1.021 11.045) 11.193 4.471 ( -5.055 1.333 -6.038) 7.987 4.537 ( 8.435 2.743 13.656) 16.284 4.764 ( 3.087 4.471 1.452) 5.624 5.019 ( -9.161 0.864 -9.508) 13.232 5.237 ( -8.338 10.307 -16.780) 21.385 5.778 ( -0.961 6.325 22.094) 23.001 6.010 ( 5.786 -7.107 7.554) 11.876 6.340 ( -4.927 10.140 -0.643) 11.292 6.676 ( -5.627 -0.882 -10.107) 11.601 6.927 ( 9.355 -0.081 -10.350) 13.952 7.055 ( -14.055 -5.811 1.359) 15.270 7.289 ( 3.428 -0.127 6.446) 7.302 7.449 ( 5.506 -6.323 -1.910) 8.599 7.633 ( -5.614 -0.500 -0.986) 5.722 7.845 ( -12.431 -2.835 -9.302) 15.783 8.678 ( 4.710 -3.791 8.264) 10.240 8.802 ( 6.121 -0.357 12.546) 13.964 9.011 ( 1.543 -1.712 -5.866) 6.302 9.113 ( 7.600 12.753 -2.984) 15.143 9.297 ( -8.370 -2.081 2.566) 8.998 9.511 ( -5.506 7.817 -12.641) 15.850 10.065 ( -3.394 5.964 17.507) 18.804 10.417 ( -2.743 -0.786 -12.247) 12.575 10.591 ( 3.385 -4.142 4.299) 6.862 10.821 ( -1.975 8.908 -9.182) 12.945 11.777 ( 6.538 -6.233 12.634) 15.531 12.014 ( 3.039 7.542 2.519) 8.512 12.411 ( -2.548 -5.266 -10.799) 12.281 12.543 ( -5.451 3.241 -9.248) 11.214 12.972 ( 2.652 3.758 -2.631) 5.299 13.031 ( -0.659 3.408 -6.919) 7.741 13.675 ( 0.534 -8.307 11.414) 14.126 13.843 ( 1.148 -6.025 -5.045) 7.941 14.853 ( -0.048 -10.148 10.365) 14.506 14.955 ( 5.074 -10.071 -4.778) 12.247 15.730 ( -2.545 -2.614 8.710) 9.443 15.865 ( 0.861 -6.155 -7.175) 9.492 16.497 ( 0.317 7.529 5.580) 9.377 16.737 ( -5.143 19.972 -7.115) 21.817 17.343 ( 18.895 -2.746 -2.238) 19.224 17.798 ( -8.915 1.334 2.495) 9.354 17.968 ( 0.605 -0.120 8.938) 8.959 18.342 ( -4.862 4.492 2.688) 7.144 18.395 ( -0.639 -2.614 -4.147) 4.944 18.601 ( -10.445 6.371 -7.413) 14.305 21.198 ( -1.413 1.919 7.612) 7.977 21.410 ( -4.410 3.698 -8.670) 10.406 22.633 ( 2.674 -3.504 7.468) 8.672 22.723 ( 6.893 -2.914 -3.977) 8.474 ======================= Grid point 268 (138/165) ======================= q-point: ( 0.12 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( -7.233 -0.000 17.385) 18.829 3.110 ( -0.670 -0.000 -3.449) 3.514 3.720 ( 0.804 0.000 17.339) 17.358 4.250 ( 5.076 0.000 -10.870) 11.997 4.319 ( -5.444 -0.000 5.313) 7.607 4.508 ( 2.218 0.000 -11.165) 11.383 4.632 ( 6.307 0.000 11.782) 13.364 4.703 ( 1.589 0.000 -9.199) 9.335 5.055 ( 13.306 0.000 -5.272) 14.312 5.184 ( 11.940 0.000 -4.890) 12.903 5.744 ( 8.755 0.000 30.538) 31.768 5.977 ( -9.097 -0.000 -11.228) 14.451 6.471 ( -8.227 -0.000 -5.925) 10.139 6.557 ( 8.817 0.000 14.111) 16.639 6.781 ( 0.778 0.000 -5.409) 5.464 7.165 ( 0.203 0.000 2.779) 2.787 7.473 ( 4.771 0.000 -7.672) 9.035 7.572 ( -3.280 -0.000 -9.748) 10.285 7.715 ( 5.129 0.000 4.784) 7.014 7.880 ( 22.488 0.000 -2.636) 22.642 8.678 ( -14.979 -0.000 1.800) 15.087 8.783 ( -2.490 -0.000 11.148) 11.423 8.844 ( -5.575 -0.000 1.525) 5.780 8.991 ( -8.081 -0.000 -10.596) 13.326 9.306 ( 6.302 0.000 10.649) 12.374 9.490 ( 10.231 0.000 -3.181) 10.714 10.151 ( 2.219 0.000 13.673) 13.852 10.358 ( -1.114 -0.000 -10.332) 10.392 10.440 ( -1.827 -0.000 7.968) 8.175 10.871 ( 3.189 0.000 -7.687) 8.322 11.925 ( 0.061 0.000 1.076) 1.078 11.972 ( -6.278 -0.000 -4.479) 7.711 12.099 ( -8.463 -0.000 13.325) 15.785 12.450 ( -0.946 -0.000 1.174) 1.507 12.975 ( -0.107 -0.000 -1.560) 1.564 12.978 ( -0.298 -0.000 -9.478) 9.483 13.784 ( 1.779 0.000 5.118) 5.419 13.937 ( 1.127 0.000 -7.767) 7.848 14.698 ( -9.485 -0.000 11.390) 14.822 15.305 ( 1.215 0.000 -13.899) 13.952 15.784 ( 3.989 0.000 7.944) 8.889 16.044 ( 6.826 0.000 -12.710) 14.427 16.281 ( -7.886 -0.000 10.730) 13.316 16.577 ( 4.212 0.000 0.548) 4.247 17.132 ( -12.050 -0.000 1.739) 12.175 17.855 ( -12.232 -0.000 -10.238) 15.951 18.224 ( 11.624 0.000 -1.983) 11.792 18.245 ( 6.155 0.000 10.473) 12.148 18.499 ( 13.014 0.000 -6.143) 14.391 18.632 ( 11.396 0.000 1.937) 11.559 21.209 ( 2.866 0.000 11.785) 12.129 21.334 ( 1.718 0.000 -4.964) 5.253 22.588 ( -5.881 -0.000 2.985) 6.595 22.749 ( -7.300 -0.000 -6.013) 9.458 ======================= Grid point 269 (139/165) ======================= q-point: ( 0.25 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( -3.342 -5.523 15.560) 16.847 3.049 ( -5.513 2.932 -5.318) 8.202 3.758 ( 5.161 -0.240 12.364) 13.400 4.176 ( -5.732 6.871 3.715) 9.688 4.243 ( 1.463 6.682 -9.870) 12.009 4.448 ( 0.853 2.089 -9.430) 9.696 4.761 ( 5.957 -3.848 -2.448) 7.502 4.898 ( 13.267 -6.847 7.509) 16.712 5.266 ( 16.036 -1.406 1.564) 16.173 5.329 ( 7.376 -5.983 -7.828) 12.307 5.883 ( -3.338 0.663 -12.769) 13.215 5.976 ( 10.701 -6.420 15.969) 20.267 6.395 ( -8.559 -4.097 7.168) 11.892 6.585 ( 6.021 4.479 10.769) 13.125 6.826 ( 1.760 -3.315 -3.955) 5.452 7.132 ( -5.991 -0.465 3.732) 7.073 7.495 ( 4.061 5.301 -1.614) 6.870 7.548 ( 10.955 4.254 -8.032) 14.235 7.681 ( -2.574 5.719 3.188) 7.035 8.196 ( 19.571 -2.731 -3.501) 20.069 8.526 ( -11.536 -2.724 2.593) 12.134 8.720 ( -4.115 1.293 5.849) 7.267 8.871 ( -8.008 -9.155 -5.396) 13.307 8.934 ( -1.880 -4.091 -1.325) 4.693 9.404 ( 3.938 -2.780 12.187) 13.105 9.608 ( 13.000 1.626 -1.909) 13.240 10.020 ( -4.350 9.858 8.210) 13.547 10.428 ( -6.789 -6.415 4.125) 10.211 10.510 ( 5.901 -5.407 0.866) 8.050 10.900 ( 2.394 -0.799 -11.739) 12.007 11.822 ( -6.452 4.011 -6.710) 10.136 11.980 ( -1.505 6.337 19.106) 20.185 12.025 ( -5.938 -10.846 -4.980) 13.330 12.465 ( -0.146 -3.379 6.182) 7.047 12.957 ( -0.726 -0.579 -5.944) 6.016 13.037 ( 0.278 -5.390 -5.116) 7.437 13.771 ( 1.689 4.939 3.642) 6.365 13.892 ( 0.262 6.996 -9.047) 11.439 14.533 ( -8.024 4.908 8.874) 12.931 15.149 ( -4.480 14.035 -11.402) 18.629 15.782 ( 3.176 6.745 6.184) 9.686 16.069 ( 7.065 7.947 -12.216) 16.196 16.308 ( -9.417 -16.276 10.140) 21.364 16.766 ( 2.850 -14.968 -0.063) 15.237 17.031 ( -1.732 0.879 4.734) 5.117 17.736 ( -12.474 -4.151 -10.067) 16.558 18.229 ( -1.352 -0.055 8.662) 8.767 18.418 ( 17.780 5.042 1.242) 18.523 18.685 ( 12.627 -4.769 -8.769) 16.096 18.777 ( 11.449 0.427 1.035) 11.503 21.249 ( 2.594 0.261 8.855) 9.231 21.413 ( 4.699 -5.745 0.691) 7.454 22.500 ( -6.572 1.480 -0.266) 6.742 22.616 ( -10.446 2.655 -3.734) 11.407 ======================= Grid point 270 (140/165) ======================= q-point: ( 0.38 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( -2.009 -8.717 8.120) 12.081 2.908 ( -7.046 4.383 -5.226) 9.807 3.856 ( 10.368 1.137 4.620) 11.408 4.018 ( -4.308 5.807 4.481) 8.506 4.126 ( 2.675 9.473 -4.407) 10.785 4.469 ( 4.695 -0.626 -5.928) 7.588 4.890 ( 4.445 -3.702 1.949) 6.104 5.080 ( 6.766 -1.280 10.248) 12.347 5.433 ( -2.006 -3.664 -8.035) 9.056 5.582 ( 18.905 -10.994 0.801) 21.884 5.848 ( 4.967 3.957 -18.066) 19.150 5.999 ( -2.497 8.444 7.990) 11.890 6.379 ( -2.689 -0.026 8.129) 8.562 6.739 ( 8.155 -9.290 5.454) 13.512 6.912 ( -1.817 -4.111 8.514) 9.627 7.059 ( -0.958 -0.087 5.221) 5.309 7.398 ( 2.350 10.421 -1.787) 10.831 7.544 ( -7.039 3.701 -4.447) 9.112 7.720 ( 13.732 -5.288 -3.772) 15.191 8.238 ( -3.898 9.946 3.348) 11.195 8.473 ( -3.526 -1.926 4.180) 5.798 8.731 ( 0.158 -4.557 0.267) 4.567 8.903 ( -5.698 -8.897 -5.887) 12.095 9.088 ( 6.588 -7.056 2.159) 9.892 9.477 ( 0.811 -1.869 13.216) 13.372 9.742 ( 10.149 0.909 4.406) 11.101 9.894 ( 1.402 -0.857 -3.414) 3.789 10.388 ( -8.518 -0.904 9.504) 12.795 10.577 ( -0.992 1.550 0.125) 1.845 10.962 ( 2.925 -1.650 -15.201) 15.567 11.705 ( -2.674 2.863 -1.139) 4.080 11.837 ( -4.550 4.420 9.303) 11.259 12.191 ( 0.562 -12.205 -5.826) 13.536 12.552 ( 0.427 -7.077 10.191) 12.414 12.963 ( -0.566 -1.078 -5.227) 5.367 13.119 ( 0.428 -4.050 -4.541) 6.100 13.668 ( 0.169 9.292 2.314) 9.578 13.726 ( -0.844 13.444 -11.126) 17.471 14.439 ( -5.028 -2.283 5.945) 8.114 14.883 ( -7.966 6.820 -7.471) 12.876 15.665 ( 1.307 12.079 5.906) 13.509 15.979 ( 5.025 11.252 -10.204) 15.999 16.509 ( -4.978 -18.833 8.293) 21.172 16.914 ( -0.181 -2.000 0.619) 2.101 17.161 ( 5.005 -13.056 6.482) 15.412 17.655 ( -10.588 -3.222 -10.373) 15.169 18.195 ( -1.203 2.731 6.672) 7.309 18.542 ( 13.136 2.941 4.066) 14.062 18.832 ( 5.026 1.311 0.974) 5.285 18.919 ( 12.994 -0.861 -12.141) 17.804 21.274 ( 2.206 0.380 5.444) 5.886 21.595 ( 6.039 -8.372 6.404) 12.148 22.385 ( -8.248 2.966 -5.513) 10.354 22.459 ( -7.516 1.182 0.576) 7.630 ======================= Grid point 271 (141/165) ======================= q-point: ( 0.50 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( -5.758 3.919 3.029) 7.595 2.911 ( -1.359 -10.653 -5.742) 12.178 3.890 ( -1.889 6.077 1.204) 6.477 3.923 ( 6.138 4.159 -5.068) 8.981 4.090 ( 11.063 4.794 8.855) 14.960 4.567 ( 9.567 -0.945 -4.807) 10.749 4.952 ( 4.829 3.406 15.741) 16.813 5.138 ( -7.192 -5.760 4.351) 10.189 5.453 ( 2.460 -0.606 -16.099) 16.297 5.701 ( -1.689 9.410 4.470) 10.554 5.837 ( -3.129 3.673 -3.515) 5.970 6.039 ( 14.799 -5.430 -3.560) 16.161 6.391 ( 5.318 -2.486 3.920) 7.058 6.710 ( -10.986 5.250 6.556) 13.829 6.917 ( 0.143 -1.400 2.975) 3.292 7.152 ( -5.473 1.935 2.534) 6.334 7.342 ( 3.334 3.292 1.170) 4.829 7.452 ( 3.262 -5.409 1.026) 6.399 7.897 ( 2.392 -1.197 -5.907) 6.485 7.945 ( -9.653 13.504 4.508) 17.200 8.505 ( 2.483 -1.537 4.525) 5.386 8.789 ( -1.955 -4.434 -1.463) 5.062 8.990 ( -1.498 -5.634 -2.741) 6.442 9.194 ( 0.988 0.331 6.430) 6.513 9.459 ( -3.446 -1.906 16.513) 16.976 9.908 ( 11.075 -4.821 -7.086) 14.004 10.040 ( 5.902 -5.712 -3.056) 8.764 10.343 ( 0.143 -4.716 5.985) 7.621 10.495 ( -2.066 4.235 -2.470) 5.320 10.914 ( -4.447 6.302 -1.577) 7.872 11.646 ( -1.363 4.338 -8.689) 9.807 11.827 ( 1.747 -6.633 5.343) 8.695 12.365 ( 2.271 -7.618 -6.286) 10.134 12.692 ( 0.665 -9.739 9.294) 13.478 12.956 ( -0.194 1.934 -2.756) 3.373 13.131 ( -0.252 2.766 -1.545) 3.178 13.474 ( -1.677 14.724 -11.235) 18.597 13.561 ( -1.846 2.423 -0.559) 3.097 14.467 ( -2.497 -6.437 3.081) 7.561 14.795 ( -7.657 -6.569 -3.412) 10.650 15.476 ( 2.457 14.292 4.806) 15.277 15.860 ( 2.788 9.801 -8.048) 12.985 16.734 ( -1.621 -14.968 5.661) 16.085 16.919 ( 1.696 2.069 5.619) 6.223 17.407 ( -2.597 -13.733 4.203) 14.595 17.577 ( -2.477 0.443 -10.178) 10.484 18.129 ( -2.138 3.617 5.247) 6.722 18.622 ( 7.530 3.888 5.481) 10.093 18.820 ( 1.412 4.618 2.211) 5.311 19.025 ( 7.968 3.415 -15.224) 17.520 21.295 ( 2.525 0.917 4.682) 5.398 21.768 ( 1.767 -5.392 6.659) 8.749 22.242 ( -6.102 1.112 -3.330) 7.040 22.419 ( -1.724 -2.286 -0.887) 2.997 ======================= Grid point 272 (142/165) ======================= q-point: (-0.38 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( -3.019 2.059 11.170) 11.753 3.064 ( -0.840 -11.201 -15.602) 19.224 3.787 ( 1.064 6.019 3.757) 7.174 3.940 ( 1.598 -1.240 -4.954) 5.351 4.190 ( 16.888 5.987 8.078) 19.655 4.702 ( 12.024 0.910 -5.589) 13.291 4.924 ( 3.283 7.350 22.080) 23.502 5.046 ( -15.187 2.386 10.873) 18.830 5.437 ( -4.683 0.309 -12.458) 13.313 5.533 ( -3.048 9.223 -8.285) 12.767 5.788 ( 6.681 6.081 -3.353) 9.636 6.074 ( -7.527 -0.819 -4.469) 8.792 6.454 ( -1.800 2.469 3.752) 4.839 6.753 ( 13.413 -7.942 2.772) 15.833 6.918 ( -2.615 0.423 11.151) 11.462 7.017 ( -12.043 -4.682 -2.656) 13.191 7.196 ( 0.046 10.485 5.634) 11.903 7.570 ( -1.808 8.630 6.722) 11.087 7.738 ( -2.420 10.820 -8.164) 13.769 7.853 ( -4.707 -9.409 -0.845) 10.555 8.551 ( 4.698 0.580 7.312) 8.711 8.820 ( -1.910 -2.301 0.060) 2.991 8.976 ( -2.982 2.893 -1.025) 4.279 9.101 ( -5.754 3.576 -0.012) 6.775 9.610 ( 3.130 -11.931 11.618) 16.945 9.930 ( -0.811 7.819 -2.756) 8.330 10.195 ( 13.562 1.650 -6.434) 15.101 10.392 ( 4.030 2.011 -1.853) 4.871 10.633 ( -0.517 -11.611 0.548) 11.635 10.733 ( -5.208 -0.489 1.681) 5.495 11.549 ( -0.341 5.440 1.317) 5.608 12.002 ( 2.547 -10.577 -10.499) 15.119 12.425 ( 2.494 4.512 -2.021) 5.538 12.827 ( -3.060 -2.730 -2.724) 4.923 12.929 ( 3.549 -2.896 7.159) 8.499 13.089 ( -1.652 -1.523 4.378) 4.921 13.299 ( 1.855 7.509 -9.796) 12.481 13.528 ( -3.789 -1.792 -3.519) 5.473 14.560 ( 0.513 -6.743 0.573) 6.786 14.817 ( -7.448 -5.126 0.825) 9.079 15.364 ( 4.905 3.905 3.025) 6.961 15.749 ( -1.078 5.353 -7.236) 9.066 16.893 ( 2.144 3.853 5.992) 7.439 16.934 ( 2.667 -9.462 6.848) 11.981 17.397 ( -8.690 0.313 -7.631) 11.569 17.685 ( 0.966 -9.422 -2.116) 9.705 18.043 ( 0.788 5.986 7.128) 9.341 18.591 ( 0.865 6.714 4.494) 8.125 18.736 ( -0.445 7.459 3.335) 8.182 18.992 ( 2.433 7.830 -16.065) 18.036 21.306 ( 2.865 2.246 5.304) 6.433 21.742 ( -7.608 3.183 -0.990) 8.307 22.276 ( 3.309 -6.530 4.318) 8.499 22.473 ( 1.457 -4.683 -2.316) 5.424 ======================= Grid point 273 (143/165) ======================= q-point: (-0.25 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( 1.681 -2.851 18.999) 19.285 3.186 ( -2.423 -6.626 -21.125) 22.271 3.745 ( 2.315 2.512 10.133) 10.693 3.992 ( -0.701 -4.912 -7.400) 8.909 4.291 ( 16.251 8.231 6.548) 19.358 4.661 ( -10.587 12.892 11.027) 19.997 4.829 ( 2.965 3.364 1.870) 4.859 4.884 ( 3.557 8.031 14.971) 17.357 5.226 ( -9.258 11.265 -9.312) 17.301 5.423 ( -7.984 -0.726 -3.907) 8.918 5.777 ( 6.906 3.563 -7.733) 10.963 6.050 ( -6.080 -5.634 -7.882) 11.438 6.450 ( 8.591 5.387 13.106) 16.571 6.749 ( -2.624 4.410 9.921) 11.169 6.940 ( -8.403 -3.167 1.263) 9.068 7.089 ( -6.501 -3.246 -12.521) 14.477 7.162 ( 8.542 -0.674 7.289) 11.250 7.312 ( -5.512 4.543 4.623) 8.508 7.576 ( 8.191 10.148 -6.829) 14.721 7.904 ( -11.674 -3.672 -0.870) 12.269 8.627 ( 6.981 -0.579 11.028) 13.065 8.815 ( -0.003 0.281 4.123) 4.132 8.922 ( -1.571 -1.535 -1.712) 2.785 9.025 ( -5.544 -2.298 -5.569) 8.188 9.709 ( 2.267 8.537 -0.914) 8.880 9.766 ( -1.094 7.938 -1.342) 8.125 10.284 ( 9.637 3.202 -6.865) 12.258 10.398 ( -10.287 6.834 19.660) 23.217 10.515 ( 2.616 -3.844 -1.012) 4.759 10.943 ( 0.162 -7.129 -22.271) 23.385 11.543 ( 3.916 -3.918 18.574) 19.383 12.148 ( -3.725 -7.558 -23.965) 25.403 12.340 ( 5.790 8.667 10.982) 15.141 12.712 ( -5.157 7.006 -6.669) 10.962 13.079 ( 4.599 -2.216 -0.887) 5.182 13.126 ( -3.972 -3.353 4.016) 6.569 13.292 ( 4.838 -4.933 3.343) 7.676 13.550 ( -2.532 -8.289 -6.699) 10.954 14.681 ( 4.093 -5.845 -1.797) 7.358 14.756 ( -5.908 0.885 5.085) 7.845 15.476 ( 3.863 -8.955 1.044) 9.808 15.685 ( -3.585 -1.796 -6.667) 7.780 16.830 ( 3.591 9.041 12.378) 15.744 17.084 ( -1.749 -3.965 0.744) 4.397 17.319 ( 7.324 2.904 -9.396) 12.262 17.703 ( -20.519 -6.617 -3.891) 21.908 18.053 ( 16.339 5.500 11.216) 20.567 18.471 ( -2.923 6.363 2.459) 7.422 18.584 ( -2.402 9.998 3.174) 10.762 18.845 ( -2.348 10.235 -15.049) 18.350 21.295 ( 2.546 3.906 7.248) 8.618 21.570 ( -7.729 5.413 -5.410) 10.877 22.444 ( 3.741 -7.980 6.864) 11.171 22.581 ( 2.796 -5.904 -3.742) 7.529 ======================= Grid point 274 (144/165) ======================= q-point: (-0.12 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( 5.378 -6.555 19.233) 21.019 3.145 ( -7.412 2.946 -13.214) 15.435 3.759 ( -0.906 -0.834 17.135) 17.180 4.068 ( -0.215 -6.421 -11.684) 13.334 4.249 ( 0.541 9.012 14.033) 16.686 4.429 ( -0.938 5.936 -3.742) 7.080 4.755 ( 3.071 6.968 13.394) 15.407 4.859 ( 4.448 3.174 1.175) 5.589 5.021 ( 0.291 9.740 -3.823) 10.468 5.279 ( -6.874 6.584 -13.822) 16.782 5.845 ( 1.200 -1.324 9.934) 10.093 6.064 ( 2.296 -1.471 -5.236) 5.904 6.391 ( 1.578 10.765 14.482) 18.114 6.662 ( -2.460 6.135 -6.085) 8.984 6.868 ( -8.579 -2.797 3.470) 9.668 7.008 ( 6.805 -1.350 -8.174) 10.721 7.281 ( 0.293 -8.073 3.344) 8.743 7.408 ( -0.408 -6.977 -8.053) 10.663 7.599 ( 11.698 3.397 4.260) 12.905 7.741 ( -8.423 3.952 -7.590) 12.007 8.711 ( 4.604 -0.242 11.392) 12.289 8.836 ( 1.200 -0.143 5.356) 5.491 8.953 ( -2.377 -4.749 -0.974) 5.399 9.049 ( -3.967 -8.624 -4.307) 10.424 9.505 ( 3.322 18.245 1.406) 18.598 9.602 ( -4.621 11.000 -8.284) 14.525 10.127 ( -7.787 6.134 16.614) 19.346 10.385 ( 3.446 -0.255 -6.426) 7.296 10.614 ( 3.902 -0.755 6.676) 7.769 10.897 ( -2.875 5.303 -18.960) 19.896 11.738 ( 5.103 -9.889 18.568) 21.647 12.085 ( -6.119 2.820 -11.301) 13.157 12.369 ( 4.237 0.614 2.664) 5.043 12.523 ( -7.632 6.134 -5.934) 11.449 13.058 ( -1.550 4.188 -1.977) 4.884 13.090 ( 1.623 4.602 -5.714) 7.514 13.523 ( 3.135 -13.706 9.959) 17.230 13.712 ( 0.968 -12.212 -7.800) 14.523 14.702 ( -5.792 -3.509 8.973) 11.241 14.855 ( 6.186 -9.930 -4.990) 12.719 15.635 ( -0.031 -6.504 2.259) 6.885 15.748 ( 0.975 -9.873 -7.544) 12.464 16.707 ( 3.423 13.662 14.079) 19.914 16.939 ( -4.821 13.256 -8.462) 16.449 17.485 ( -21.295 -4.724 1.930) 21.898 17.542 ( 18.170 -3.410 -3.189) 18.760 18.193 ( 16.951 4.404 8.136) 19.312 18.333 ( -9.645 3.717 -5.489) 11.704 18.423 ( -0.123 7.336 7.449) 10.456 18.639 ( -2.996 10.052 -12.412) 16.251 21.252 ( 0.933 4.777 9.505) 10.679 21.423 ( -3.325 4.380 -7.058) 8.948 22.578 ( 0.019 -5.776 6.750) 8.883 22.704 ( 1.998 -6.076 -5.610) 8.508 ======================= Grid point 277 (145/165) ======================= q-point: ( 0.25 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( -1.011 -0.000 15.370) 15.403 2.983 ( -8.416 -0.000 -8.478) 11.946 3.816 ( 5.894 0.000 10.087) 11.683 4.171 ( -4.343 -0.000 6.603) 7.903 4.295 ( 0.337 0.000 -14.377) 14.381 4.474 ( 1.912 0.000 -9.004) 9.205 4.805 ( 7.569 0.000 -15.427) 17.184 5.109 ( 21.685 0.000 14.108) 25.870 5.366 ( 3.464 0.000 4.191) 5.437 5.445 ( 17.629 0.000 -1.704) 17.711 5.873 ( 4.560 0.000 -17.584) 18.166 6.114 ( 16.546 0.000 22.463) 27.899 6.248 ( -10.552 -0.000 3.953) 11.268 6.643 ( 0.715 0.000 6.574) 6.612 6.880 ( 7.197 0.000 -6.134) 9.456 6.990 ( -11.821 -0.000 4.001) 12.480 7.559 ( 0.380 0.000 -2.185) 2.217 7.719 ( 10.733 0.000 -1.440) 10.829 7.720 ( -4.057 -0.000 13.709) 14.296 8.348 ( -8.777 -0.000 3.669) 9.513 8.370 ( 8.850 0.000 -2.749) 9.267 8.644 ( -8.237 -0.000 1.359) 8.348 8.821 ( -5.919 -0.000 -6.919) 9.105 8.822 ( 9.451 0.000 -6.366) 11.395 9.459 ( 5.611 0.000 13.505) 14.624 9.796 ( 14.218 0.000 -1.358) 14.283 10.085 ( -4.444 -0.000 18.772) 19.291 10.260 ( -7.310 -0.000 -5.464) 9.127 10.547 ( 5.759 0.000 2.437) 6.253 10.899 ( 0.302 0.000 -11.331) 11.335 11.801 ( -5.467 -0.000 -5.425) 7.702 11.846 ( -5.132 -0.000 -4.558) 6.864 12.043 ( 1.614 0.000 16.333) 16.412 12.410 ( -3.270 -0.000 6.266) 7.068 12.965 ( -0.055 -0.000 -9.973) 9.973 12.976 ( 0.448 0.000 -1.492) 1.558 13.821 ( 0.665 0.000 2.892) 2.967 13.940 ( -0.348 -0.000 -7.917) 7.925 14.490 ( -7.893 -0.000 7.036) 10.574 15.177 ( -10.657 -0.000 -12.865) 16.706 15.890 ( 3.174 0.000 4.144) 5.220 16.016 ( -13.184 -0.000 9.687) 16.360 16.255 ( 11.268 0.000 -13.466) 17.559 16.646 ( 0.196 0.000 3.955) 3.960 17.041 ( 2.105 0.000 5.035) 5.457 17.587 ( -6.979 -0.000 -9.373) 11.685 18.238 ( 2.202 0.000 12.452) 12.645 18.692 ( 16.147 0.000 2.356) 16.318 18.760 ( 10.370 0.000 -5.421) 11.702 18.917 ( 10.500 0.000 -6.449) 12.322 21.315 ( 4.869 0.000 13.765) 14.601 21.411 ( 4.750 0.000 -2.521) 5.378 22.425 ( -7.256 -0.000 -2.886) 7.809 22.490 ( -13.112 -0.000 -1.482) 13.195 ======================= Grid point 278 (146/165) ======================= q-point: ( 0.38 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( -1.638 -4.398 9.505) 10.600 2.860 ( -8.050 1.901 -9.138) 12.325 3.905 ( 2.485 -2.318 9.618) 10.200 4.112 ( 3.463 5.854 -2.289) 7.176 4.265 ( 2.049 3.324 -7.059) 8.067 4.519 ( 3.962 -2.047 -3.962) 5.965 4.899 ( 8.393 -0.228 -13.495) 15.894 5.326 ( 4.904 -5.624 2.166) 7.769 5.376 ( 12.871 11.894 16.590) 24.132 5.660 ( 12.640 -3.014 2.095) 13.162 5.966 ( 8.411 0.795 -12.632) 15.197 6.057 ( -5.065 5.885 -0.136) 7.766 6.317 ( 0.368 -6.187 4.688) 7.771 6.757 ( -7.607 -4.805 6.524) 11.114 6.833 ( 14.066 0.169 7.119) 15.765 7.046 ( 4.465 -3.964 2.439) 6.449 7.496 ( -5.063 4.414 -2.470) 7.157 7.568 ( -5.682 7.908 9.104) 13.331 7.813 ( 4.815 -1.656 -0.150) 5.094 8.288 ( -6.999 6.283 2.475) 9.725 8.410 ( 2.477 -4.316 4.948) 7.018 8.601 ( -6.672 -6.142 -3.162) 9.604 8.758 ( -2.145 -1.810 -3.697) 4.642 9.075 ( 13.023 -8.715 -6.774) 17.071 9.514 ( 3.737 1.091 12.770) 13.351 9.869 ( 0.289 7.108 7.882) 10.618 10.015 ( 10.730 3.640 -2.074) 11.519 10.227 ( -8.685 -5.247 10.441) 14.559 10.597 ( 1.108 0.880 -0.248) 1.436 10.933 ( 0.694 -4.033 -14.537) 15.102 11.723 ( -0.818 2.583 -6.604) 7.138 11.802 ( -7.384 0.129 8.704) 11.415 12.101 ( 6.020 -4.178 -0.409) 7.339 12.426 ( -3.813 -6.971 9.599) 12.461 12.949 ( 0.614 -0.074 -6.388) 6.418 13.042 ( 0.508 -5.539 -4.935) 7.436 13.783 ( -1.216 5.595 2.783) 6.366 13.875 ( -0.951 7.390 -9.330) 11.941 14.380 ( -4.623 2.299 5.464) 7.517 14.911 ( -13.351 11.582 -9.441) 20.038 15.799 ( -2.484 5.306 4.724) 7.526 16.043 ( -5.518 -7.626 2.253) 9.679 16.353 ( 9.998 0.466 -5.815) 11.576 16.749 ( -4.022 -12.635 0.700) 13.279 17.095 ( 3.882 -2.131 8.215) 9.333 17.540 ( -3.049 -1.608 -10.449) 11.003 18.262 ( 4.244 3.298 14.053) 15.046 18.777 ( 12.114 6.205 2.132) 13.777 18.900 ( 4.580 -0.030 0.851) 4.659 19.043 ( 10.628 -1.848 -14.470) 18.049 21.346 ( 4.890 2.793 8.740) 10.397 21.543 ( 5.436 -7.170 3.796) 9.766 22.305 ( -11.353 2.098 -2.442) 11.800 22.360 ( -7.539 -1.631 -2.153) 8.008 ======================= Grid point 279 (147/165) ======================= q-point: ( 0.50 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( -4.567 -3.441 4.206) 7.099 2.764 ( -2.802 -2.577 -9.278) 10.029 3.908 ( -2.587 0.895 8.996) 9.403 4.051 ( 2.548 7.543 -10.539) 13.208 4.321 ( 13.266 1.227 1.364) 13.393 4.621 ( 2.033 -5.958 1.196) 6.408 4.988 ( 7.009 -0.369 -9.355) 11.695 5.297 ( 11.099 17.022 17.815) 27.024 5.461 ( 4.963 -2.217 -1.935) 5.769 5.704 ( -7.957 1.472 0.157) 8.093 5.849 ( -3.135 2.888 1.380) 4.480 6.169 ( 10.598 1.607 -4.535) 11.639 6.388 ( -6.036 -6.918 -0.103) 9.182 6.674 ( 5.797 2.887 4.917) 8.132 6.971 ( 0.601 5.927 0.871) 6.021 7.106 ( -1.161 0.317 3.635) 3.829 7.408 ( -0.657 0.250 3.214) 3.290 7.442 ( -0.823 1.155 4.569) 4.784 7.923 ( 4.512 -2.825 -9.469) 10.863 8.017 ( -10.455 11.605 6.402) 16.881 8.545 ( 9.097 -1.925 4.472) 10.318 8.649 ( -4.418 -9.200 -0.248) 10.209 8.817 ( -1.647 -8.241 -1.353) 8.512 9.235 ( 0.357 1.071 0.907) 1.448 9.493 ( -0.606 5.611 16.746) 17.672 9.829 ( 1.243 -6.942 -9.660) 11.961 10.163 ( 15.391 -0.130 -3.511) 15.787 10.235 ( -3.349 -5.851 20.408) 21.493 10.554 ( -0.573 3.914 -5.200) 6.534 10.931 ( -5.027 3.035 -9.337) 11.030 11.705 ( 1.702 3.552 -10.915) 11.604 11.732 ( -3.371 -4.462 9.915) 11.383 12.291 ( 7.310 -8.424 -5.033) 12.236 12.522 ( -3.586 -10.563 9.680) 14.770 12.972 ( 1.766 -0.730 -4.130) 4.551 13.124 ( 0.027 -3.789 -5.943) 7.048 13.615 ( -4.642 10.770 4.401) 12.526 13.689 ( -1.103 13.781 -11.818) 18.187 14.356 ( -1.619 -3.682 4.123) 5.760 14.645 ( -10.014 1.774 -5.448) 11.537 15.690 ( 1.005 9.045 7.190) 11.599 16.010 ( -2.279 5.130 -7.517) 9.382 16.529 ( 5.244 -10.820 3.819) 12.616 16.865 ( -5.235 -9.528 -1.600) 10.989 17.185 ( -0.847 -5.621 10.628) 12.053 17.545 ( -0.448 -2.241 -12.931) 13.131 18.251 ( 6.540 6.800 13.704) 16.637 18.788 ( 4.364 7.050 0.767) 8.327 18.902 ( 2.458 3.061 3.580) 5.313 19.159 ( 7.387 1.461 -16.237) 17.898 21.372 ( 5.495 2.344 6.816) 9.063 21.698 ( 0.759 -5.601 5.139) 7.639 22.164 ( -7.185 -0.542 0.530) 7.225 22.335 ( -3.731 -3.987 -4.377) 6.998 ======================= Grid point 280 (148/165) ======================= q-point: (-0.38 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( -2.369 1.480 5.522) 6.188 2.870 ( -0.924 -10.702 -12.948) 16.824 3.861 ( -1.065 2.421 5.243) 5.872 3.965 ( 0.332 4.548 -5.243) 6.949 4.484 ( 15.867 1.491 2.993) 16.216 4.724 ( -3.651 -7.529 2.160) 8.642 5.059 ( 7.333 5.994 0.849) 9.509 5.163 ( 8.987 15.530 20.836) 27.498 5.339 ( -13.218 3.065 -0.075) 13.569 5.641 ( -1.930 9.189 -9.194) 13.141 5.860 ( 5.811 -4.869 -7.710) 10.813 6.045 ( -11.911 7.794 1.440) 14.307 6.417 ( 0.494 -3.303 6.834) 7.606 6.806 ( -6.271 0.864 -5.183) 8.182 6.891 ( 16.138 -0.300 -4.437) 16.740 6.989 ( -3.236 5.793 10.873) 12.738 7.364 ( 3.183 5.631 4.081) 7.648 7.572 ( -0.869 -11.814 6.191) 13.366 7.684 ( -11.212 12.779 6.009) 18.031 7.939 ( 2.688 8.390 -17.864) 19.918 8.659 ( 10.291 2.338 8.096) 13.301 8.753 ( 0.435 -5.453 3.558) 6.526 8.912 ( -4.655 -5.644 -3.360) 8.051 9.091 ( -8.614 5.572 -2.959) 10.677 9.516 ( 5.135 -6.084 20.751) 22.226 9.943 ( -1.749 -4.136 -8.137) 9.294 10.320 ( 6.098 -4.210 -0.065) 7.411 10.417 ( 4.372 -11.374 5.664) 13.438 10.493 ( 4.571 2.964 -5.153) 7.498 10.726 ( -10.047 9.587 2.487) 14.108 11.645 ( 1.586 5.281 -3.386) 6.470 11.841 ( -0.958 -9.914 -8.550) 13.127 12.477 ( 6.062 -4.413 0.511) 7.516 12.658 ( -3.411 -11.197 2.299) 11.928 12.977 ( 0.970 3.152 2.683) 4.251 13.118 ( 0.417 3.586 -4.651) 5.888 13.421 ( -3.152 5.705 -0.388) 6.530 13.499 ( -1.155 7.383 -8.708) 11.475 14.447 ( 1.098 -8.047 2.835) 8.602 14.605 ( -6.733 -7.753 -3.204) 10.757 15.561 ( 3.815 10.999 8.572) 14.457 15.857 ( -2.544 9.818 -10.169) 14.363 16.774 ( 3.801 -12.982 5.258) 14.513 16.927 ( -2.037 -4.827 0.321) 5.249 17.234 ( -4.721 -5.196 10.242) 12.417 17.567 ( -2.691 -2.484 -14.647) 15.098 18.248 ( 10.986 7.092 13.156) 18.549 18.669 ( -4.716 6.993 -3.103) 8.987 18.864 ( 2.121 6.952 7.738) 10.616 19.147 ( 2.932 7.197 -17.220) 18.893 21.405 ( 6.157 3.080 7.012) 9.827 21.680 ( -7.999 1.247 0.519) 8.112 22.201 ( 1.755 -7.096 5.358) 9.063 22.386 ( -1.190 -6.486 -5.480) 8.574 ======================= Grid point 281 (149/165) ======================= q-point: (-0.25 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 1.892 -1.605 14.046) 14.263 3.017 ( -1.197 -9.833 -20.506) 22.773 3.812 ( -0.062 3.903 7.156) 8.152 3.927 ( -2.012 -1.097 -4.007) 4.616 4.567 ( -8.683 4.318 8.895) 13.159 4.721 ( 12.790 6.475 -3.703) 14.806 4.920 ( -5.052 13.055 26.207) 29.711 5.078 ( 0.693 -0.672 8.570) 8.624 5.272 ( 0.396 5.230 -7.612) 9.244 5.388 ( -1.239 11.329 -7.947) 13.894 5.808 ( -9.435 2.217 -0.914) 9.735 5.986 ( 5.143 0.855 -12.735) 13.761 6.566 ( 10.213 -8.218 8.847) 15.815 6.741 ( -7.452 -3.637 -6.038) 10.257 6.825 ( -3.715 5.026 13.126) 14.538 7.086 ( 6.113 2.355 -8.271) 10.551 7.341 ( -8.126 15.108 7.164) 18.590 7.387 ( 14.017 5.226 5.529) 15.949 7.663 ( -9.297 -5.591 1.879) 11.010 7.835 ( 5.227 5.956 -14.122) 16.194 8.735 ( 8.324 2.706 11.584) 14.519 8.804 ( -0.054 -1.049 4.504) 4.625 8.876 ( -3.372 -0.572 -3.382) 4.810 8.965 ( -3.912 1.845 -8.384) 9.434 9.697 ( 1.448 -6.223 14.469) 15.817 9.908 ( -0.769 5.041 -4.820) 7.017 10.374 ( -13.693 7.385 5.371) 16.459 10.418 ( 2.599 0.651 -2.481) 3.651 10.498 ( 3.307 -1.403 6.437) 7.372 10.766 ( 4.031 -13.749 -11.166) 18.165 11.596 ( 3.542 4.109 9.347) 10.807 11.955 ( -4.977 -9.262 -20.612) 23.140 12.534 ( 5.562 6.066 8.189) 11.610 12.705 ( -6.515 -0.785 -5.385) 8.489 12.965 ( -1.783 -5.055 9.495) 10.903 13.115 ( 3.851 -0.337 -1.720) 4.231 13.369 ( 2.077 1.111 -4.233) 4.844 13.427 ( -1.400 -0.462 -8.186) 8.318 14.606 ( 0.778 -8.434 3.110) 9.022 14.660 ( -1.463 -6.126 -1.597) 6.498 15.497 ( 4.685 2.909 6.201) 8.298 15.673 ( -4.257 7.264 -10.399) 13.380 16.937 ( -3.865 -5.473 7.730) 10.229 16.995 ( 5.621 -1.059 2.949) 6.435 17.286 ( -3.484 -7.771 7.406) 11.286 17.530 ( -1.749 0.711 -13.606) 13.737 18.318 ( 14.090 4.339 10.560) 18.135 18.482 ( -8.701 6.336 -5.548) 12.110 18.737 ( -0.754 10.673 8.376) 13.588 19.007 ( -0.585 11.700 -16.570) 20.293 21.414 ( 4.269 5.246 9.164) 11.390 21.546 ( -6.068 2.982 -3.325) 7.535 22.355 ( 2.028 -8.186 6.725) 10.786 22.486 ( -0.411 -7.794 -6.281) 10.019 ======================= Grid point 282 (150/165) ======================= q-point: (-0.12 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( 5.667 -6.329 18.785) 20.617 3.070 ( -5.037 -1.419 -19.657) 20.341 3.733 ( -4.471 2.549 13.973) 14.891 3.960 ( -0.522 -5.881 -7.471) 9.522 4.289 ( -13.203 6.822 7.317) 16.565 4.623 ( -4.103 11.985 11.946) 17.412 4.894 ( 16.721 4.830 1.302) 17.453 4.966 ( -3.356 9.145 3.056) 10.209 5.243 ( -4.550 -0.041 -5.161) 6.880 5.306 ( 13.950 10.517 -0.922) 17.495 5.753 ( -4.393 -6.072 -2.095) 7.782 6.020 ( 1.152 -1.754 -6.103) 6.454 6.599 ( -11.531 3.393 -0.993) 12.060 6.712 ( 1.043 9.153 16.100) 18.550 6.898 ( 17.435 -2.350 0.111) 17.593 7.041 ( 1.127 0.906 -5.475) 5.662 7.154 ( -3.396 -0.751 8.133) 8.845 7.398 ( 2.197 7.244 -9.153) 11.878 7.640 ( -1.841 -2.623 -3.611) 4.828 7.886 ( 13.218 2.720 -2.773) 13.777 8.760 ( -1.909 0.779 5.989) 6.333 8.812 ( -5.607 -1.795 -1.760) 6.145 8.865 ( 2.743 -0.620 4.919) 5.666 8.964 ( 5.322 -2.004 -2.581) 6.245 9.682 ( -4.140 5.640 0.891) 7.053 9.768 ( -0.936 12.782 2.251) 13.013 10.081 ( -11.672 6.395 9.690) 16.463 10.461 ( 3.361 -0.022 1.086) 3.532 10.602 ( 0.904 -5.671 8.458) 10.223 10.901 ( 0.148 -1.303 -23.962) 23.998 11.651 ( 2.781 -5.492 22.232) 23.068 11.972 ( -7.762 -4.380 -20.967) 22.782 12.498 ( 5.120 6.883 10.795) 13.789 12.552 ( -6.653 7.712 -5.911) 11.776 13.035 ( -3.255 -3.583 1.356) 5.027 13.148 ( 0.650 0.203 -0.063) 0.684 13.431 ( 5.892 -3.652 1.986) 7.210 13.517 ( 0.549 -12.646 -11.562) 17.143 14.619 ( -4.816 -0.408 3.895) 6.207 14.810 ( 6.128 -5.801 0.200) 8.441 15.569 ( -4.281 -1.988 -6.461) 8.002 15.607 ( 5.380 -8.553 -0.814) 10.137 16.924 ( 0.351 5.548 8.386) 10.061 17.007 ( -0.047 2.938 6.256) 6.912 17.212 ( -14.909 1.908 -2.811) 15.291 17.690 ( 17.461 -7.796 -1.651) 19.194 18.256 ( -12.708 5.201 -8.098) 15.941 18.447 ( 13.568 4.162 3.433) 14.601 18.563 ( -0.342 9.757 10.024) 13.992 18.795 ( -0.806 12.299 -14.060) 18.698 21.337 ( -2.362 5.150 6.738) 8.804 21.481 ( 3.419 4.714 -0.418) 5.838 22.477 ( -1.115 -6.447 5.009) 8.240 22.593 ( -1.940 -7.758 -6.078) 10.044 ======================= Grid point 286 (151/165) ======================= q-point: ( 0.38 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( -2.519 -0.000 7.071) 7.507 2.780 ( -6.331 -0.000 -11.182) 12.850 3.909 ( 0.079 0.000 14.382) 14.382 4.248 ( 10.234 0.000 -4.731) 11.275 4.273 ( -0.903 -0.000 -12.866) 12.898 4.498 ( -3.188 -0.000 -0.038) 3.189 5.053 ( 14.515 0.000 -8.600) 16.872 5.302 ( 5.201 0.000 0.892) 5.277 5.705 ( 14.610 0.000 1.125) 14.653 5.750 ( 4.127 0.000 13.358) 13.981 5.930 ( -12.629 -0.000 9.104) 15.569 6.181 ( -14.281 -0.000 -6.972) 15.892 6.192 ( 19.082 0.000 -8.171) 20.758 6.723 ( 8.520 0.000 5.766) 10.288 7.045 ( 16.823 0.000 11.863) 20.585 7.078 ( 7.738 0.000 -0.388) 7.747 7.425 ( -13.130 -0.000 0.144) 13.131 7.549 ( -9.727 -0.000 9.426) 13.545 7.768 ( -0.705 -0.000 -0.143) 0.719 8.258 ( -12.015 -0.000 4.955) 12.997 8.453 ( 9.863 0.000 -6.054) 11.573 8.485 ( -4.695 -0.000 -4.432) 6.456 8.721 ( 1.535 0.000 5.042) 5.271 9.167 ( 11.280 0.000 -8.347) 14.033 9.564 ( 1.464 0.000 10.661) 10.761 9.919 ( -8.368 -0.000 -4.218) 9.371 10.072 ( 2.162 0.000 25.682) 25.773 10.209 ( 9.633 0.000 -5.487) 11.086 10.615 ( -0.781 -0.000 2.927) 3.029 10.880 ( -1.194 -0.000 -13.678) 13.730 11.722 ( -5.509 -0.000 6.954) 8.872 11.758 ( 2.395 0.000 -11.133) 11.388 12.156 ( 7.312 0.000 -0.295) 7.318 12.301 ( -6.051 -0.000 10.535) 12.149 12.971 ( 1.561 0.000 -9.753) 9.877 12.986 ( 0.105 0.000 -1.885) 1.888 13.808 ( -1.998 -0.000 3.286) 3.845 13.913 ( -1.216 -0.000 -7.703) 7.798 14.375 ( -1.344 -0.000 3.707) 3.943 14.833 ( -15.655 -0.000 -8.427) 17.779 15.771 ( -6.804 -0.000 8.318) 10.746 15.900 ( -2.225 -0.000 -1.770) 2.843 16.521 ( 11.199 0.000 -13.981) 17.913 16.583 ( -5.215 -0.000 10.765) 11.961 17.137 ( 4.294 0.000 7.710) 8.825 17.501 ( -1.249 -0.000 -10.940) 11.011 18.377 ( 8.150 0.000 18.182) 19.925 18.938 ( 3.043 0.000 1.319) 3.316 18.970 ( 6.824 0.000 3.513) 7.675 19.109 ( 7.124 0.000 -20.050) 21.278 21.450 ( 5.211 0.000 13.624) 14.587 21.542 ( 6.013 0.000 -1.242) 6.140 22.177 ( -12.184 -0.000 4.082) 12.850 22.262 ( -5.659 -0.000 -7.903) 9.720 ======================= Grid point 287 (152/165) ======================= q-point: ( 0.50 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( -2.666 -3.845 2.870) 5.489 2.720 ( -2.096 0.167 -10.438) 10.648 3.901 ( -1.372 0.983 14.888) 14.983 4.190 ( 1.188 7.282 -12.653) 14.647 4.408 ( 3.803 -3.837 1.198) 5.534 4.484 ( -2.009 -6.434 -3.037) 7.393 5.174 ( 14.752 5.500 -4.214) 16.298 5.486 ( 10.933 -5.219 2.595) 12.390 5.598 ( -14.962 6.339 -1.186) 16.292 5.687 ( 2.573 9.302 18.863) 21.188 5.899 ( 6.518 3.313 -1.453) 7.454 6.028 ( -21.245 -6.797 -3.251) 22.541 6.422 ( 17.725 2.394 3.242) 18.177 6.880 ( 18.717 1.573 -2.059) 18.896 7.052 ( -5.467 7.615 -0.252) 9.377 7.154 ( -0.203 2.869 2.180) 3.609 7.311 ( -8.690 -5.258 12.473) 16.085 7.439 ( -2.079 2.811 -2.361) 4.219 7.904 ( 9.651 -7.487 -4.372) 12.974 8.041 ( -11.243 6.363 5.958) 14.227 8.475 ( -2.990 -5.636 -1.697) 6.602 8.564 ( -0.162 -8.024 -7.549) 11.018 8.816 ( 12.974 2.116 8.750) 15.792 9.220 ( -4.699 0.812 -3.557) 5.949 9.554 ( -1.303 2.164 11.283) 11.562 9.804 ( -0.186 1.932 -11.184) 11.351 10.149 ( 1.412 -3.123 24.623) 24.861 10.325 ( 10.820 -0.163 -3.349) 11.327 10.575 ( -3.016 1.223 3.132) 4.517 10.876 ( -4.272 -1.480 -14.051) 14.761 11.642 ( -6.176 0.830 11.896) 13.429 11.788 ( 5.206 1.226 -14.881) 15.813 12.276 ( 4.070 -5.252 0.663) 6.677 12.327 ( 0.013 -8.265 3.606) 9.017 12.977 ( 1.394 -0.885 -4.142) 4.459 13.044 ( 0.245 -4.959 -7.603) 9.081 13.721 ( -3.683 7.951 4.994) 10.086 13.840 ( -1.189 7.501 -8.335) 11.276 14.352 ( 2.093 2.604 3.770) 5.037 14.588 ( -11.349 6.238 -5.289) 13.989 15.755 ( -0.077 -1.831 6.336) 6.595 15.916 ( -5.330 -5.394 -0.744) 7.620 16.548 ( 1.167 -2.595 3.207) 4.288 16.653 ( 1.355 -4.104 -5.818) 7.247 17.186 ( 2.888 0.129 10.093) 10.499 17.495 ( -1.676 -1.898 -12.136) 12.398 18.451 ( 9.493 4.876 17.833) 20.783 18.899 ( -3.545 6.165 -4.305) 8.313 18.988 ( 4.100 2.579 5.309) 7.187 19.210 ( 4.045 -2.586 -17.463) 18.111 21.488 ( 5.940 2.453 9.238) 11.253 21.641 ( 1.520 -2.898 1.576) 3.632 22.063 ( -6.672 -1.785 5.855) 9.054 22.226 ( -3.754 -3.213 -8.228) 9.598 ======================= Grid point 288 (153/165) ======================= q-point: (-0.38 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( -1.301 -2.311 0.284) 2.667 2.743 ( 2.084 -4.788 -9.348) 10.708 3.865 ( -1.984 1.411 10.929) 11.197 4.072 ( 0.303 8.193 -8.908) 12.106 4.441 ( -9.001 -8.520 11.507) 16.912 4.672 ( 11.272 -6.651 -10.507) 16.783 5.184 ( -14.928 8.987 6.344) 18.544 5.255 ( -2.095 5.171 6.475) 8.547 5.512 ( 5.755 11.997 13.920) 19.257 5.849 ( 10.486 10.520 -6.337) 16.149 5.851 ( -13.538 -3.413 -1.713) 14.067 5.885 ( 7.002 -6.606 -2.518) 9.950 6.495 ( 6.034 5.782 11.635) 14.325 6.802 ( -5.647 7.333 -14.943) 17.578 6.952 ( -14.663 5.213 11.553) 19.382 7.161 ( 20.772 2.222 -7.027) 22.040 7.337 ( -8.382 -8.942 8.394) 14.856 7.460 ( 8.535 -0.622 -2.374) 8.881 7.776 ( -7.895 9.183 8.698) 14.911 8.063 ( 4.036 4.688 -15.308) 16.511 8.628 ( 1.899 -12.779 4.703) 13.749 8.702 ( -2.580 -11.837 -3.744) 12.680 8.908 ( 11.382 6.628 8.512) 15.682 9.060 ( -8.338 4.811 -5.240) 10.960 9.529 ( 1.941 -0.375 15.246) 15.373 9.838 ( -0.392 -4.018 -13.557) 14.145 10.217 ( -1.295 -5.080 18.759) 19.477 10.437 ( 2.892 0.053 -4.040) 4.969 10.547 ( 1.327 -0.980 6.767) 6.965 10.769 ( -4.406 6.450 -10.500) 13.087 11.609 ( -5.242 -5.232 6.661) 9.961 11.823 ( 5.995 2.647 -14.699) 16.094 12.379 ( -4.569 -9.894 7.751) 13.373 12.524 ( 8.036 -7.998 -7.048) 13.350 13.008 ( -0.375 -0.730 -0.499) 0.961 13.119 ( 1.177 -4.036 -10.188) 11.021 13.496 ( -4.699 12.899 8.156) 15.969 13.670 ( 0.616 12.068 -8.654) 14.863 14.381 ( 2.682 -2.879 3.977) 5.594 14.466 ( -3.033 -2.077 -4.154) 5.547 15.748 ( 2.937 7.048 9.627) 12.288 15.890 ( -5.987 0.495 -4.001) 7.218 16.697 ( 7.399 -8.688 -0.258) 11.414 16.714 ( -5.294 -9.454 -2.903) 11.217 17.206 ( 1.054 0.749 14.278) 14.337 17.499 ( -2.635 -2.377 -13.512) 13.970 18.484 ( 9.783 6.175 14.838) 18.815 18.713 ( -7.095 8.511 -7.386) 13.316 18.971 ( 0.184 4.131 7.917) 8.932 19.230 ( -0.393 2.177 -17.096) 17.238 21.538 ( 7.174 1.906 7.777) 10.751 21.607 ( -6.745 2.126 1.023) 7.145 22.115 ( 1.528 -7.102 6.825) 9.968 22.262 ( -1.719 -6.017 -7.870) 10.055 ======================= Grid point 289 (154/165) ======================= q-point: (-0.25 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( 1.441 -1.276 5.077) 5.430 2.881 ( 3.411 -7.911 -13.548) 16.055 3.831 ( -2.203 -0.006 6.583) 6.942 3.950 ( -1.322 7.133 -2.467) 7.662 4.426 ( -12.677 -1.701 6.057) 14.152 4.895 ( 5.629 -3.026 -1.200) 6.503 4.905 ( -12.733 -3.471 2.955) 13.524 5.020 ( -10.183 9.646 24.909) 28.587 5.516 ( 13.977 10.923 -1.749) 17.825 5.633 ( 1.136 15.315 -12.336) 19.699 5.735 ( -7.470 -0.544 0.885) 7.542 6.090 ( 8.580 5.112 1.700) 10.131 6.507 ( 0.154 -5.897 4.892) 7.664 6.723 ( -4.518 -3.852 -2.488) 6.437 6.763 ( -0.248 4.606 2.822) 5.407 7.215 ( 0.347 4.208 -7.452) 8.565 7.403 ( -1.122 1.569 0.182) 1.938 7.550 ( -0.589 3.854 14.854) 15.357 7.639 ( 9.819 -1.108 -1.910) 10.064 7.950 ( 1.179 9.521 -12.799) 15.996 8.753 ( -5.289 -1.557 -1.686) 5.766 8.801 ( -3.306 -5.772 0.823) 6.703 8.876 ( 1.773 0.523 -0.210) 1.860 9.028 ( 10.991 5.363 2.213) 12.428 9.636 ( 3.501 -6.016 17.430) 18.769 9.860 ( -4.526 -3.901 -8.887) 10.709 10.286 ( -9.940 -6.547 2.119) 12.089 10.328 ( -6.961 3.040 6.857) 10.233 10.575 ( 2.835 5.029 -5.696) 8.110 10.728 ( 6.436 -2.406 3.303) 7.624 11.652 ( -3.037 -5.379 0.382) 6.189 11.831 ( 3.219 2.634 -12.751) 13.413 12.479 ( -5.437 -10.324 2.177) 11.869 12.696 ( 6.273 -1.810 -2.815) 7.110 12.947 ( -2.719 4.400 4.846) 7.088 13.179 ( 3.438 0.156 -7.333) 8.101 13.310 ( -4.984 3.029 2.576) 6.375 13.538 ( 3.786 7.210 -6.744) 10.574 14.484 ( 0.302 -6.821 0.488) 6.845 14.563 ( 4.943 -8.678 -0.306) 9.991 15.625 ( -0.963 10.015 8.027) 12.870 15.763 ( -2.428 7.910 -6.491) 10.517 16.768 ( -3.847 -7.014 2.897) 8.509 16.993 ( 7.706 -13.182 -4.680) 15.970 17.201 ( -0.992 1.441 16.902) 16.993 17.509 ( 0.452 -3.465 -10.898) 11.445 18.449 ( -7.422 7.366 -3.237) 10.946 18.560 ( 7.788 4.701 4.837) 10.303 18.865 ( -2.766 7.905 8.335) 11.816 19.123 ( -3.953 7.155 -16.207) 18.151 21.473 ( -7.337 3.337 0.985) 8.120 21.597 ( 8.052 2.912 7.554) 11.418 22.258 ( 1.372 -7.757 4.621) 9.133 22.350 ( -0.836 -7.378 -6.275) 9.721 ======================= Grid point 290 (155/165) ======================= q-point: (-0.12 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 2.797 -5.606 10.169) 11.945 3.002 ( 1.760 -2.875 -16.095) 16.444 3.767 ( -3.753 6.805 11.020) 13.485 3.867 ( -2.178 -3.108 -2.694) 4.654 4.211 ( -13.477 4.649 4.410) 14.923 4.652 ( -11.164 7.051 7.971) 15.424 4.981 ( -5.351 -6.475 14.742) 16.967 5.088 ( 8.509 -1.172 1.727) 8.761 5.368 ( 9.736 9.849 -11.592) 18.060 5.579 ( 8.957 9.725 -5.724) 14.407 5.678 ( -2.406 1.072 1.491) 3.026 6.023 ( -2.083 4.686 4.923) 7.109 6.504 ( -6.554 0.664 0.273) 6.593 6.760 ( -0.945 -7.648 0.675) 7.736 6.915 ( 11.250 -6.562 1.735) 13.139 7.098 ( -3.650 7.261 -2.430) 8.483 7.260 ( -0.729 9.990 0.333) 10.022 7.488 ( 0.617 2.158 6.675) 7.042 7.809 ( 14.251 12.028 -6.294) 19.682 7.895 ( -0.353 -11.035 -4.790) 12.035 8.658 ( -8.398 0.836 -3.308) 9.065 8.807 ( -0.926 -0.518 2.828) 3.020 8.926 ( 4.245 1.184 2.226) 4.937 9.080 ( 9.818 3.631 1.479) 10.572 9.693 ( -0.736 1.441 6.800) 6.990 9.835 ( -7.715 2.893 7.643) 11.238 10.088 ( -5.974 4.650 -0.818) 7.614 10.384 ( -4.418 -7.922 -2.217) 9.338 10.538 ( 0.384 0.838 3.236) 3.365 10.859 ( 2.935 -5.289 -3.367) 6.923 11.680 ( 0.365 -0.398 4.970) 4.999 11.819 ( -1.704 -0.957 -12.480) 12.632 12.524 ( -5.921 -2.359 -6.105) 8.826 12.688 ( 5.030 8.842 9.661) 14.029 12.933 ( -0.888 -4.680 1.366) 4.955 13.153 ( -1.241 2.512 4.571) 5.362 13.330 ( -0.763 -9.223 -14.086) 16.854 13.517 ( 4.476 2.930 -2.691) 5.989 14.564 ( -0.597 -2.605 0.043) 2.673 14.789 ( 7.022 -8.884 3.356) 11.811 15.465 ( -6.847 3.018 -5.226) 9.127 15.660 ( 3.683 3.896 0.154) 5.364 16.831 ( -3.242 -6.434 5.497) 9.063 17.108 ( -7.253 5.845 6.918) 11.603 17.188 ( 8.461 0.278 0.591) 8.486 17.689 ( 8.209 -12.398 -1.774) 14.975 18.218 ( -8.893 7.609 -8.672) 14.566 18.631 ( 8.737 1.899 1.798) 9.120 18.690 ( -3.624 9.130 10.044) 14.048 18.936 ( -3.164 9.073 -14.363) 17.281 21.351 ( -4.799 2.945 1.676) 5.874 21.637 ( 8.035 5.102 7.646) 12.209 22.366 ( -1.836 -6.535 -0.543) 6.809 22.444 ( -1.851 -6.703 -2.537) 7.402 ======================= Grid point 295 (156/165) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( -1.297 -0.000 3.208) 3.460 2.714 ( 1.853 0.000 -11.776) 11.921 3.908 ( -0.641 -0.000 18.286) 18.297 4.244 ( -1.914 -0.000 -2.591) 3.222 4.290 ( -10.821 -0.000 -1.808) 10.970 4.507 ( 10.074 0.000 -11.677) 15.422 5.402 ( 8.586 0.000 10.345) 13.444 5.435 ( -21.558 -0.000 2.480) 21.700 5.596 ( 17.373 0.000 3.934) 17.813 5.687 ( -21.688 -0.000 -1.968) 21.777 5.754 ( 2.944 0.000 9.457) 9.904 6.038 ( 6.308 0.000 -8.662) 10.716 6.681 ( 15.671 0.000 10.267) 18.735 6.930 ( -21.400 -0.000 -10.730) 23.939 7.050 ( -6.897 -0.000 8.363) 10.840 7.146 ( 12.305 0.000 -0.478) 12.314 7.261 ( 4.149 0.000 10.641) 11.421 7.511 ( 7.492 0.000 -10.970) 13.284 7.910 ( -16.925 -0.000 5.963) 17.945 8.001 ( 17.035 0.000 0.978) 17.063 8.403 ( -2.359 -0.000 -1.736) 2.929 8.451 ( -3.434 -0.000 -5.788) 6.730 9.029 ( 14.139 0.000 5.149) 15.048 9.130 ( -11.606 -0.000 -4.266) 12.365 9.560 ( 0.734 0.000 9.320) 9.349 9.823 ( 1.373 0.000 -15.279) 15.340 10.180 ( 2.973 0.000 22.048) 22.248 10.419 ( 6.743 0.000 -3.946) 7.813 10.522 ( -6.278 -0.000 10.352) 12.107 10.811 ( -3.689 -0.000 -12.536) 13.067 11.604 ( -4.336 -0.000 9.682) 10.608 11.822 ( 0.888 0.000 -11.841) 11.874 12.204 ( -0.376 -0.000 5.957) 5.968 12.368 ( 9.836 0.000 -9.339) 13.563 12.958 ( -2.426 -0.000 -2.989) 3.850 13.022 ( 2.825 0.000 -9.658) 10.062 13.750 ( -2.526 -0.000 6.508) 6.981 13.879 ( -0.901 -0.000 -5.786) 5.856 14.442 ( 6.439 0.000 3.911) 7.534 14.513 ( -9.222 -0.000 -2.886) 9.663 15.718 ( 1.434 0.000 7.179) 7.321 15.837 ( -1.283 -0.000 -4.217) 4.408 16.438 ( -7.742 -0.000 14.237) 16.206 16.736 ( 7.380 0.000 -13.203) 15.126 17.226 ( 2.312 0.000 9.001) 9.294 17.443 ( -3.532 -0.000 -10.529) 11.105 18.608 ( 8.509 0.000 19.309) 21.101 18.892 ( -5.931 -0.000 -5.650) 8.191 19.029 ( -1.619 -0.000 3.132) 3.525 19.203 ( 1.032 0.000 -17.326) 17.357 21.547 ( 0.617 0.000 9.273) 9.294 21.668 ( 3.773 0.000 -2.519) 4.537 21.981 ( -2.950 -0.000 9.968) 10.395 22.167 ( -0.970 -0.000 -8.812) 8.865 ======================= Grid point 296 (157/165) ======================= q-point: (-0.38 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 1.052 -3.350 2.569) 4.351 2.755 ( 5.306 -0.519 -10.846) 12.085 3.881 ( -1.774 2.839 16.261) 16.602 4.169 ( -6.896 1.534 -3.943) 8.091 4.223 ( -2.637 -2.409 4.523) 5.764 4.659 ( 5.264 -6.975 -11.923) 14.782 5.081 ( -21.528 9.504 4.534) 23.965 5.344 ( -8.625 7.490 23.569) 26.191 5.536 ( -11.320 -5.946 -0.102) 12.787 5.756 ( 12.174 3.657 3.529) 13.192 5.949 ( 12.121 -3.646 -2.625) 12.926 6.042 ( 3.312 -0.752 -6.056) 6.943 6.605 ( -16.427 6.033 -5.032) 18.209 6.744 ( -7.141 2.494 5.847) 9.560 6.993 ( 6.839 8.251 0.948) 10.759 7.104 ( -11.337 -1.969 10.178) 15.362 7.475 ( 21.757 1.932 -5.304) 22.477 7.590 ( 9.374 0.277 -11.703) 14.997 7.716 ( -12.574 0.890 9.403) 15.726 8.181 ( 6.860 2.907 -4.890) 8.912 8.458 ( 0.656 -10.806 4.311) 11.653 8.486 ( -2.488 -8.998 -2.127) 9.575 8.954 ( -11.088 2.925 -4.633) 12.367 9.122 ( 1.508 -0.603 3.996) 4.313 9.608 ( 10.883 3.644 6.388) 13.135 9.823 ( 0.631 0.996 -14.736) 14.783 10.171 ( -4.793 0.991 13.772) 14.616 10.446 ( -2.868 2.278 13.277) 13.773 10.527 ( 3.294 -4.589 -3.723) 6.766 10.770 ( -2.673 -0.670 -10.639) 10.990 11.530 ( -3.519 2.223 10.633) 11.418 11.863 ( 0.452 -4.797 -8.788) 10.023 12.243 ( 1.578 -2.173 -1.418) 3.037 12.520 ( 8.421 -5.373 -10.167) 14.253 12.948 ( -3.023 -2.943 -2.571) 4.940 13.074 ( 1.898 -3.299 -10.132) 10.824 13.651 ( -2.040 10.067 9.672) 14.108 13.820 ( 0.183 6.534 -4.416) 7.889 14.399 ( -1.282 2.587 0.307) 2.903 14.505 ( 7.555 3.633 1.770) 8.568 15.778 ( -0.129 -3.737 5.246) 6.442 15.863 ( 2.507 0.633 2.892) 3.879 16.437 ( -5.841 -12.135 6.148) 14.804 16.778 ( 4.885 2.453 -9.473) 10.937 17.243 ( 1.390 0.930 11.088) 11.214 17.411 ( -4.568 -2.795 -10.665) 11.934 18.658 ( 3.234 4.915 14.628) 15.767 18.749 ( -6.034 6.197 -6.660) 10.917 18.992 ( -3.196 0.895 3.613) 4.905 19.197 ( -4.401 -1.254 -14.988) 15.671 21.527 ( -5.148 0.479 4.801) 7.055 21.675 ( 3.408 2.085 -0.196) 4.000 22.037 ( 2.774 -5.285 8.398) 10.303 22.195 ( 2.573 -2.540 -5.963) 6.973 ======================= Grid point 297 (158/165) ======================= q-point: (-0.25 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( 1.195 -2.176 2.003) 3.190 2.862 ( 8.092 -3.703 -9.455) 12.984 3.811 ( -3.558 1.973 11.515) 12.213 4.059 ( -0.701 7.262 -4.648) 8.651 4.257 ( -6.074 -5.008 6.456) 10.181 4.680 ( -16.787 -0.565 8.011) 18.610 4.826 ( -6.948 -1.969 -4.568) 8.545 5.115 ( -1.454 7.446 20.868) 22.204 5.545 ( -5.344 -6.192 3.388) 8.853 5.822 ( 0.843 10.176 -6.417) 12.059 5.828 ( 1.799 6.107 -5.671) 8.526 6.200 ( -6.617 1.328 -3.456) 7.582 6.413 ( -0.546 -7.146 -1.423) 7.307 6.671 ( 6.573 5.922 8.390) 12.193 6.883 ( -4.012 3.892 2.311) 6.049 7.123 ( 0.379 -5.031 4.241) 6.592 7.509 ( 1.220 7.662 -3.737) 8.612 7.580 ( -7.452 0.349 -4.512) 8.718 7.728 ( 9.259 4.118 1.736) 10.281 8.131 ( 4.739 7.370 -3.324) 9.371 8.624 ( -2.765 -7.973 -1.835) 8.636 8.635 ( -0.858 -11.037 0.933) 11.109 8.835 ( -3.699 -1.760 -2.536) 4.818 9.162 ( -0.848 -4.331 7.903) 9.052 9.686 ( 11.078 3.355 2.452) 11.831 9.791 ( -0.783 1.978 -12.710) 12.887 10.077 ( -12.638 -2.682 5.363) 13.988 10.342 ( -3.100 5.960 14.350) 15.845 10.645 ( 5.364 -3.160 -11.539) 13.112 10.768 ( 1.351 0.145 0.331) 1.399 11.504 ( -3.512 -3.884 7.961) 9.529 11.934 ( 3.704 -0.558 -7.710) 8.572 12.294 ( -1.252 -4.929 -5.659) 7.608 12.691 ( 5.190 -6.201 -7.279) 10.880 12.954 ( -2.464 -1.254 -0.727) 2.858 13.146 ( 0.605 -4.231 -10.307) 11.158 13.435 ( -1.194 14.441 12.727) 19.286 13.704 ( 2.040 9.256 -4.092) 10.324 14.423 ( 3.158 -3.588 -1.373) 4.973 14.560 ( 7.697 -0.062 1.888) 7.925 15.764 ( -2.737 8.910 2.632) 9.685 15.818 ( 0.458 2.555 7.768) 8.190 16.616 ( -2.327 -10.787 -5.163) 12.183 16.868 ( 5.794 -10.193 -0.290) 11.728 17.251 ( 2.627 1.460 12.994) 13.337 17.418 ( -3.237 -5.571 -9.513) 11.490 18.476 ( -8.451 9.246 -6.726) 14.218 18.689 ( 2.252 2.796 9.591) 10.241 18.916 ( -3.941 4.034 3.602) 6.692 19.108 ( -8.689 1.681 -13.511) 16.151 21.426 ( -6.781 2.139 1.292) 7.226 21.719 ( 5.187 -0.149 4.393) 6.799 22.156 ( 1.659 -5.686 1.239) 6.051 22.288 ( 4.636 -3.535 -0.593) 5.860 ======================= Grid point 298 (159/165) ======================= q-point: (-0.12 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( -0.217 -3.123 4.996) 5.896 3.017 ( 8.043 -2.719 -10.903) 13.819 3.759 ( -4.146 -0.580 7.574) 8.654 3.911 ( -0.947 9.617 2.589) 10.004 4.138 ( -9.875 4.402 2.017) 10.998 4.609 ( -6.691 0.480 -3.842) 7.731 4.764 ( -4.580 -11.194 22.263) 25.336 5.170 ( 6.378 -1.384 8.846) 10.993 5.492 ( -4.388 5.712 -17.241) 18.686 5.612 ( -4.908 1.812 4.445) 6.865 5.831 ( -0.365 1.004 0.113) 1.074 6.085 ( -1.378 4.873 -4.233) 6.600 6.469 ( -0.245 0.879 -1.130) 1.452 6.674 ( 1.807 2.445 10.160) 10.605 6.924 ( 4.109 -6.897 -3.048) 8.588 7.177 ( 2.666 2.625 3.794) 5.329 7.353 ( -3.660 8.917 -0.780) 9.671 7.501 ( -8.097 -5.662 -1.872) 10.056 7.746 ( 2.253 -0.057 4.542) 5.071 8.076 ( 3.831 8.130 -5.615) 10.597 8.597 ( -5.633 0.827 -4.412) 7.203 8.761 ( 1.934 -4.324 2.373) 5.298 8.926 ( 1.397 -6.712 1.335) 6.985 9.197 ( -0.484 -0.518 7.148) 7.183 9.745 ( -3.578 -2.117 -4.120) 5.853 9.781 ( 8.808 4.962 -0.974) 10.156 9.984 ( -10.672 -6.134 1.586) 12.411 10.264 ( -0.413 0.621 5.614) 5.664 10.680 ( 6.561 8.817 -10.733) 15.361 10.803 ( -0.731 -4.399 7.714) 8.910 11.550 ( -4.014 -6.906 0.502) 8.004 11.944 ( 5.816 6.194 -4.736) 9.728 12.368 ( -3.046 -8.154 -7.763) 11.664 12.816 ( 2.782 -4.016 -3.508) 6.014 12.907 ( -0.003 4.975 5.234) 7.221 13.206 ( -0.519 -4.960 -11.939) 12.939 13.234 ( -1.487 10.077 10.520) 14.643 13.614 ( 2.095 5.259 -3.940) 6.897 14.531 ( 3.393 -3.562 -2.756) 5.639 14.715 ( 6.223 -9.049 3.866) 11.643 15.532 ( -4.749 13.594 0.710) 14.418 15.763 ( 0.620 5.212 0.931) 5.331 16.713 ( -0.533 -6.950 3.701) 7.892 17.052 ( -2.590 -3.709 -2.330) 5.088 17.315 ( 10.372 -0.437 10.079) 14.469 17.531 ( -0.823 -12.778 -4.650) 13.622 18.255 ( -4.720 7.686 -6.495) 11.115 18.690 ( -0.108 -0.946 7.119) 7.183 18.763 ( -7.397 7.669 0.773) 10.682 18.970 ( -4.928 2.795 -11.276) 12.619 21.329 ( -4.436 1.528 1.370) 4.888 21.781 ( 4.827 0.820 6.200) 7.901 22.240 ( -0.833 -4.669 -3.756) 6.050 22.388 ( 3.600 -2.541 2.206) 4.928 ======================= Grid point 304 (160/165) ======================= q-point: (-0.38 -0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 4.872 0.000 6.684) 8.271 2.818 ( 6.269 0.000 -12.383) 13.880 3.911 ( -0.622 -0.000 19.162) 19.172 4.002 ( -9.778 -0.000 10.377) 14.258 4.267 ( 2.215 0.000 -11.485) 11.697 4.609 ( -2.938 -0.000 -8.811) 9.288 4.922 ( -20.066 -0.000 4.217) 20.504 5.261 ( -9.837 -0.000 15.747) 18.567 5.409 ( -4.408 -0.000 12.602) 13.350 5.918 ( -15.055 -0.000 -2.780) 15.309 5.978 ( 2.034 0.000 -0.673) 2.143 6.048 ( 17.420 0.000 3.899) 17.851 6.404 ( -12.418 -0.000 -15.639) 19.969 6.762 ( 1.695 0.000 3.661) 4.034 6.967 ( -13.857 -0.000 8.118) 16.060 7.127 ( -2.195 -0.000 1.687) 2.768 7.514 ( -4.651 -0.000 -3.910) 6.076 7.732 ( 19.461 0.000 -5.262) 20.160 7.767 ( 7.921 0.000 -3.194) 8.541 8.317 ( 7.102 0.000 4.303) 8.304 8.322 ( -5.545 -0.000 3.639) 6.633 8.414 ( 1.825 0.000 1.140) 2.152 8.848 ( -8.550 -0.000 -6.130) 10.520 9.023 ( -11.535 -0.000 2.031) 11.713 9.819 ( -1.630 -0.000 -15.099) 15.186 9.845 ( 17.525 0.000 2.870) 17.759 10.093 ( -11.327 -0.000 6.090) 12.860 10.481 ( 3.240 0.000 22.635) 22.866 10.507 ( 1.329 0.000 -11.608) 11.684 10.704 ( -4.177 -0.000 -7.082) 8.222 11.559 ( 0.257 0.000 8.858) 8.861 11.761 ( -3.250 -0.000 -0.468) 3.283 12.302 ( 6.593 0.000 -10.644) 12.520 12.559 ( 6.184 0.000 -13.186) 14.564 12.885 ( -2.704 -0.000 -1.729) 3.210 13.057 ( 0.430 0.000 -10.313) 10.322 13.722 ( -0.359 -0.000 10.577) 10.583 13.869 ( 0.243 0.000 -2.379) 2.392 14.429 ( 2.379 0.000 -1.511) 2.818 14.661 ( 10.594 0.000 8.179) 13.384 15.813 ( 4.946 0.000 5.887) 7.688 15.882 ( 5.241 0.000 -1.527) 5.459 16.245 ( -8.584 -0.000 11.267) 14.164 16.836 ( 1.586 0.000 -11.541) 11.649 17.271 ( 1.566 0.000 9.746) 9.871 17.313 ( -6.359 -0.000 -8.289) 10.447 18.697 ( -8.731 -0.000 -11.256) 14.245 18.723 ( -2.224 -0.000 17.712) 17.852 18.958 ( -2.537 -0.000 -0.063) 2.538 19.098 ( -9.186 -0.000 -11.502) 14.720 21.473 ( -5.888 -0.000 5.722) 8.211 21.678 ( -2.487 -0.000 -8.192) 8.562 22.076 ( 8.608 0.000 10.757) 13.778 22.233 ( 6.636 0.000 -2.358) 7.043 ======================= Grid point 305 (161/165) ======================= q-point: (-0.25 -0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( 5.049 0.773 7.598) 9.155 2.908 ( 7.228 -3.092 -11.130) 13.626 3.821 ( -3.873 4.625 14.445) 15.654 4.031 ( -2.399 -7.537 8.624) 11.702 4.245 ( 2.076 5.469 -6.184) 8.513 4.520 ( -12.735 2.600 2.880) 13.313 4.702 ( -10.599 -0.770 -0.818) 10.658 5.171 ( -4.016 1.652 19.896) 20.364 5.417 ( -1.768 -4.926 5.450) 7.556 5.699 ( -20.170 -1.830 1.902) 20.342 5.875 ( -11.455 1.773 -9.216) 14.809 6.241 ( 1.854 6.591 -6.363) 9.347 6.332 ( 8.997 -3.417 -4.508) 10.627 6.759 ( -12.281 1.220 11.770) 17.054 6.846 ( 9.698 -2.168 1.262) 10.017 7.132 ( -5.797 -8.008 -5.201) 11.171 7.431 ( -3.148 6.487 5.576) 9.115 7.733 ( 3.074 11.402 -7.187) 13.824 7.852 ( -0.988 6.466 -4.183) 7.764 8.279 ( 5.543 2.652 2.758) 6.735 8.437 ( -1.938 -12.468 3.863) 13.196 8.534 ( 6.475 -6.162 3.451) 9.581 8.771 ( -4.049 -0.028 -3.420) 5.300 8.961 ( -7.977 -9.081 0.478) 12.097 9.762 ( -2.853 2.198 -13.962) 14.419 9.905 ( -14.833 1.191 4.279) 15.484 9.989 ( 12.280 6.367 -0.681) 13.850 10.432 ( 0.171 6.849 10.359) 12.420 10.610 ( 3.045 -5.856 -7.053) 9.660 10.726 ( 0.222 -6.399 -3.404) 7.251 11.509 ( 1.267 5.195 10.626) 11.896 11.846 ( 0.224 -10.172 1.266) 10.253 12.334 ( 5.029 4.293 -16.293) 17.584 12.651 ( 3.007 -4.671 -10.973) 12.299 12.888 ( -1.011 -3.069 -0.970) 3.374 13.079 ( -0.588 -3.553 -9.832) 10.470 13.644 ( 0.228 10.658 12.946) 16.770 13.830 ( 0.452 5.258 -1.557) 5.502 14.461 ( 6.525 1.547 -1.989) 6.995 14.737 ( 9.883 6.452 6.899) 13.671 15.813 ( 2.809 2.100 3.117) 4.692 15.906 ( -1.746 6.284 11.947) 13.612 16.366 ( 1.102 -18.678 -4.116) 19.157 16.828 ( -0.039 -1.163 -5.573) 5.693 17.271 ( -6.203 -4.583 -8.258) 11.299 17.306 ( 4.294 -0.470 11.256) 12.056 18.515 ( -7.301 7.945 -7.912) 13.380 18.682 ( -6.614 -0.649 9.997) 12.005 18.910 ( -6.347 2.293 -1.912) 7.014 18.976 ( -10.393 -1.808 -7.402) 12.887 21.382 ( -6.126 1.972 3.503) 7.328 21.677 ( -3.356 -4.981 -6.746) 9.032 22.193 ( 9.689 0.486 6.918) 11.915 22.333 ( 8.023 -1.042 1.473) 8.224 ======================= Grid point 306 (162/165) ======================= q-point: (-0.12 -0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 0.357 1.758 9.067) 9.243 3.073 ( 9.447 -4.230 -11.652) 15.585 3.726 ( -3.787 2.363 10.855) 11.737 4.039 ( -1.149 5.157 3.983) 6.616 4.144 ( -2.309 8.481 -3.421) 9.432 4.458 ( -1.699 -11.739 11.652) 16.627 4.636 ( -4.143 -1.052 1.341) 4.480 5.166 ( -2.369 -3.771 17.779) 18.328 5.451 ( -7.808 -3.226 -8.806) 12.203 5.531 ( -14.772 -4.871 3.025) 15.846 5.709 ( -2.248 4.787 -9.127) 10.548 6.147 ( -1.899 0.351 -4.386) 4.792 6.484 ( 2.851 -0.438 -1.900) 3.454 6.663 ( -5.000 -4.310 10.314) 12.246 7.002 ( 12.588 4.770 3.525) 13.915 7.195 ( -4.438 -6.127 -6.698) 10.105 7.305 ( -5.512 -0.036 5.782) 7.989 7.491 ( -5.237 13.183 -1.324) 14.247 7.691 ( -10.600 1.614 -1.460) 10.821 8.235 ( 0.402 7.492 3.306) 8.199 8.538 ( -2.205 -1.243 -1.335) 2.862 8.761 ( 5.676 -2.497 -1.586) 6.400 8.787 ( 2.294 -12.124 4.643) 13.184 9.070 ( -2.469 -9.534 1.933) 10.036 9.706 ( -1.545 -0.362 -10.968) 11.082 9.743 ( -13.021 -4.388 0.919) 13.771 10.010 ( 9.501 7.000 -7.799) 14.145 10.343 ( 1.742 5.762 12.301) 13.695 10.689 ( -4.438 -5.965 3.535) 8.232 10.848 ( 7.599 -0.905 -15.642) 17.414 11.476 ( 0.802 1.469 12.254) 12.368 12.011 ( 3.821 -6.941 3.650) 8.723 12.298 ( 1.500 3.331 -19.849) 20.182 12.740 ( -0.421 -5.319 -6.424) 8.351 12.939 ( 1.429 -2.672 -1.645) 3.448 13.132 ( -0.617 -4.338 -8.655) 9.700 13.441 ( 0.333 15.829 14.944) 21.771 13.730 ( 0.117 7.856 -2.077) 8.127 14.544 ( 6.321 -1.609 -3.166) 7.250 14.741 ( 6.090 3.594 5.013) 8.668 15.708 ( -2.800 13.635 4.797) 14.723 15.821 ( -0.636 2.386 3.347) 4.159 16.590 ( 0.556 -9.526 -1.811) 9.713 16.953 ( 2.670 -9.101 -1.528) 9.607 17.302 ( -6.019 -10.315 -6.576) 13.633 17.422 ( 10.761 -2.773 11.246) 15.810 18.324 ( -3.278 7.685 -5.352) 9.921 18.624 ( -6.308 -2.479 3.393) 7.579 18.703 ( -17.005 3.373 -1.049) 17.368 18.926 ( -3.614 -0.988 -5.903) 6.992 21.297 ( -4.082 0.899 2.519) 4.880 21.724 ( -4.469 -6.875 -4.327) 9.272 22.280 ( 8.480 2.826 4.047) 9.812 22.436 ( 6.941 -0.111 2.692) 7.446 ======================= Grid point 313 (163/165) ======================= q-point: (-0.25 -0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( 10.111 0.000 11.169) 15.066 2.918 ( 2.036 0.000 -10.027) 10.232 3.886 ( -0.113 -0.000 4.909) 4.911 3.889 ( -2.963 -0.000 20.128) 20.345 4.345 ( 5.402 0.000 -9.502) 10.930 4.439 ( -7.105 -0.000 -1.623) 7.288 4.546 ( -11.705 -0.000 6.400) 13.341 5.074 ( -12.105 -0.000 17.216) 21.045 5.354 ( -4.007 -0.000 5.028) 6.430 5.480 ( -16.942 -0.000 -5.242) 17.734 5.692 ( -8.000 -0.000 0.362) 8.008 6.343 ( 2.557 0.000 -0.276) 2.572 6.433 ( -2.891 -0.000 -10.098) 10.504 6.676 ( -3.745 -0.000 10.484) 11.133 6.760 ( -4.978 -0.000 -6.361) 8.077 7.031 ( 7.330 0.000 0.065) 7.330 7.499 ( -2.646 -0.000 4.486) 5.208 7.777 ( -12.462 -0.000 -7.635) 14.615 7.954 ( -2.642 -0.000 -3.504) 4.388 8.289 ( -8.188 -0.000 1.217) 8.278 8.311 ( 9.635 0.000 7.599) 12.271 8.583 ( 9.107 0.000 4.299) 10.070 8.748 ( -0.848 -0.000 -0.528) 0.999 8.836 ( 1.895 0.000 -4.943) 5.293 9.719 ( -5.711 -0.000 -13.955) 15.079 9.746 ( -14.488 -0.000 3.337) 14.867 10.124 ( 2.317 0.000 9.098) 9.389 10.505 ( 0.442 0.000 -16.804) 16.810 10.606 ( -3.434 -0.000 -3.923) 5.214 10.652 ( 7.757 0.000 9.575) 12.323 11.632 ( 4.903 0.000 10.324) 11.429 11.742 ( 2.164 0.000 1.411) 2.583 12.438 ( 5.270 0.000 -17.126) 17.919 12.624 ( 0.269 0.000 -12.888) 12.891 12.861 ( 0.871 0.000 0.406) 0.961 13.035 ( -1.027 -0.000 -9.587) 9.642 13.732 ( 0.025 0.000 12.198) 12.198 13.873 ( 0.118 0.000 -1.900) 1.904 14.597 ( 10.826 0.000 -3.310) 11.321 14.902 ( 7.609 0.000 13.262) 15.289 15.906 ( 1.817 0.000 1.955) 2.669 15.924 ( -6.179 -0.000 14.457) 15.722 16.218 ( 9.670 0.000 -5.809) 11.281 16.786 ( -4.952 -0.000 -8.970) 10.246 17.158 ( -4.955 -0.000 -5.560) 7.448 17.369 ( 7.047 0.000 11.271) 13.293 18.505 ( -6.072 -0.000 -12.586) 13.974 18.568 ( -9.065 -0.000 10.509) 13.879 18.753 ( -18.621 -0.000 -5.054) 19.294 18.891 ( -4.951 -0.000 -0.584) 4.986 21.330 ( -5.921 -0.000 5.550) 8.115 21.569 ( -5.289 -0.000 -10.941) 12.152 22.343 ( 12.407 0.000 5.587) 13.607 22.430 ( 8.747 0.000 3.911) 9.581 ======================= Grid point 314 (164/165) ======================= q-point: (-0.12 -0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( 2.543 8.298 9.653) 12.981 3.073 ( 7.263 -8.798 -7.543) 13.677 3.758 ( -2.157 6.053 14.057) 15.456 4.028 ( 1.205 -6.058 4.072) 7.398 4.267 ( -3.231 4.614 3.590) 6.679 4.364 ( 2.921 4.882 6.277) 8.472 4.546 ( -2.420 -7.491 -4.851) 9.247 4.968 ( -16.501 -7.188 13.169) 22.302 5.221 ( -9.261 0.720 -2.006) 9.503 5.416 ( -5.656 -6.246 -7.701) 11.416 5.715 ( 1.486 -3.594 1.627) 4.216 6.095 ( -10.368 9.288 5.250) 14.877 6.482 ( -3.642 -5.053 2.949) 6.891 6.680 ( 7.076 2.469 0.363) 7.503 6.850 ( -6.674 -14.511 -12.217) 20.109 7.178 ( 11.082 -2.329 2.670) 11.634 7.371 ( -5.969 10.405 8.230) 14.547 7.484 ( -16.960 8.230 -4.802) 19.454 7.785 ( -4.406 12.197 -2.661) 13.238 8.175 ( -12.827 -2.831 -1.788) 13.256 8.532 ( 7.130 -4.038 2.736) 8.639 8.674 ( 2.474 -2.643 8.530) 9.266 8.828 ( 10.345 -4.120 -2.674) 11.452 8.952 ( 5.790 -7.580 -1.837) 9.714 9.559 ( -13.163 1.406 2.151) 13.411 9.653 ( -5.319 -1.762 -13.378) 14.504 10.125 ( -0.175 -0.183 5.292) 5.298 10.465 ( 1.988 5.733 -0.867) 6.130 10.556 ( -4.046 -1.802 -2.739) 5.207 10.822 ( 3.807 -8.601 -7.008) 11.730 11.608 ( 5.974 7.376 10.954) 14.495 11.907 ( 4.337 -10.562 4.591) 12.306 12.416 ( 2.723 7.037 -19.764) 21.155 12.650 ( -2.172 -4.229 -9.195) 10.351 12.907 ( 2.339 -3.265 -1.582) 4.316 13.052 ( -0.748 -3.856 -8.055) 8.961 13.662 ( 0.110 9.857 13.392) 16.629 13.833 ( 0.087 5.228 -2.197) 5.671 14.666 ( 9.937 5.780 -2.696) 11.808 14.917 ( 3.590 7.948 9.193) 12.672 15.813 ( -4.793 3.524 12.824) 14.137 15.867 ( 0.296 5.488 -1.214) 5.628 16.456 ( 4.390 -9.877 -5.698) 12.219 16.808 ( -0.348 -12.972 -3.720) 13.499 17.136 ( -2.238 -1.768 -4.775) 5.562 17.511 ( 12.309 -3.493 11.627) 17.288 18.394 ( -2.312 5.032 -5.216) 7.608 18.463 ( -18.375 0.056 -4.486) 18.915 18.522 ( -12.230 -0.985 5.159) 13.310 18.835 ( -7.249 -2.565 -3.671) 8.521 21.260 ( -4.203 0.521 4.778) 6.385 21.548 ( -5.991 -5.687 -9.180) 12.349 22.460 ( 10.976 3.784 4.036) 12.291 22.532 ( 7.985 0.235 3.966) 8.919 ======================= Grid point 322 (165/165) ======================= q-point: (-0.12 -0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( 1.783 0.000 -3.421) 3.858 3.009 ( 4.870 0.000 6.623) 8.221 3.812 ( -4.613 -0.000 28.226) 28.600 3.974 ( 6.227 0.000 -4.697) 7.800 4.316 ( -3.711 -0.000 4.885) 6.134 4.341 ( -6.116 -0.000 8.603) 10.555 4.533 ( 10.896 0.000 -4.882) 11.940 4.740 ( -10.940 -0.000 5.618) 12.298 5.167 ( -10.163 -0.000 -13.557) 16.944 5.218 ( -6.603 -0.000 -6.547) 9.299 5.719 ( 2.516 0.000 16.450) 16.641 6.166 ( -9.242 -0.000 20.674) 22.645 6.221 ( -5.134 -0.000 -14.994) 15.849 6.723 ( -0.910 -0.000 -4.826) 4.911 6.820 ( 9.268 0.000 -9.141) 13.018 7.259 ( 4.121 0.000 5.877) 7.178 7.343 ( -19.611 -0.000 -7.190) 20.888 7.440 ( 3.723 0.000 3.387) 5.033 7.717 ( -12.860 -0.000 1.804) 12.986 8.033 ( -10.975 -0.000 -12.684) 16.773 8.626 ( 12.568 0.000 9.354) 15.667 8.761 ( 1.698 0.000 8.567) 8.734 8.821 ( 10.625 0.000 2.047) 10.821 8.989 ( 5.764 0.000 -8.256) 10.069 9.451 ( -9.793 -0.000 1.971) 9.990 9.535 ( -8.188 -0.000 -12.495) 14.939 10.068 ( -5.566 -0.000 17.052) 17.937 10.459 ( -3.287 -0.000 -11.893) 12.339 10.617 ( 5.051 0.000 -10.293) 11.466 10.738 ( -1.799 -0.000 3.916) 4.309 11.777 ( 5.452 0.000 13.349) 14.420 11.857 ( 6.687 0.000 0.610) 6.715 12.509 ( 1.666 0.000 -18.131) 18.207 12.553 ( -5.719 -0.000 -7.904) 9.756 12.910 ( 2.810 0.000 -1.716) 3.293 13.011 ( -0.387 -0.000 -7.715) 7.724 13.736 ( -0.438 -0.000 11.802) 11.810 13.878 ( 0.692 0.000 -3.803) 3.866 14.887 ( 12.983 0.000 -6.492) 14.516 14.995 ( -1.095 -0.000 15.449) 15.487 15.780 ( -4.927 -0.000 13.323) 14.205 15.913 ( -0.109 -0.000 -4.542) 4.543 16.446 ( 5.667 0.000 -5.569) 7.945 16.611 ( -8.435 -0.000 -3.562) 9.156 17.187 ( 10.538 0.000 -2.757) 10.892 17.643 ( 14.432 0.000 10.928) 18.103 18.201 ( -22.988 -0.000 -0.549) 22.994 18.379 ( -6.808 -0.000 5.219) 8.579 18.442 ( -1.699 -0.000 -8.767) 8.930 18.689 ( -11.724 -0.000 -3.101) 12.127 21.216 ( -3.820 -0.000 6.710) 7.721 21.435 ( -4.803 -0.000 -10.230) 11.302 22.611 ( 5.302 0.000 7.351) 9.063 22.635 ( 10.952 0.000 -1.284) 11.027 =================== 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 3/31104 10.0 1790.698 2837.295 1221.069 -0.000 -582.248 -0.000 3/31104 20.0 746.645 712.792 779.145 -0.000 37.304 -0.000 3/31104 30.0 225.790 214.829 228.416 -0.000 19.870 -0.000 3/31104 40.0 104.932 100.902 107.406 -0.000 9.972 -0.000 3/31104 50.0 61.313 59.342 64.065 -0.000 6.027 -0.000 3/31104 60.0 41.199 39.899 43.665 -0.000 4.083 -0.000 3/31104 70.0 30.332 29.310 32.401 -0.000 3.002 -0.000 3/31104 80.0 23.762 22.895 25.480 -0.000 2.343 -0.000 3/31104 90.0 19.450 18.692 20.889 -0.000 1.909 -0.000 3/31104 100.0 16.438 15.767 17.664 -0.000 1.604 -0.000 3/31104 110.0 14.230 13.634 15.293 -0.000 1.381 -0.000 3/31104 120.0 12.549 12.018 13.488 -0.000 1.210 -0.000 3/31104 130.0 11.230 10.757 12.073 -0.000 1.075 -0.000 3/31104 140.0 10.168 9.746 10.937 -0.000 0.967 -0.000 3/31104 150.0 9.297 8.919 10.005 -0.000 0.878 -0.000 3/31104 160.0 8.569 8.230 9.229 -0.000 0.804 -0.000 3/31104 170.0 7.952 7.646 8.572 -0.000 0.741 -0.000 3/31104 180.0 7.422 7.146 8.009 -0.000 0.687 -0.000 3/31104 190.0 6.963 6.711 7.520 -0.000 0.641 -0.000 3/31104 200.0 6.560 6.331 7.093 -0.000 0.600 -0.000 3/31104 210.0 6.204 5.994 6.715 -0.000 0.565 -0.000 3/31104 220.0 5.887 5.694 6.378 -0.000 0.533 -0.000 3/31104 230.0 5.602 5.424 6.077 -0.000 0.505 -0.000 3/31104 240.0 5.346 5.181 5.804 -0.000 0.480 -0.000 3/31104 250.0 5.113 4.959 5.557 -0.000 0.457 -0.000 3/31104 260.0 4.901 4.757 5.332 -0.000 0.436 -0.000 3/31104 270.0 4.706 4.572 5.125 -0.000 0.417 -0.000 3/31104 280.0 4.528 4.401 4.935 -0.000 0.400 -0.000 3/31104 290.0 4.363 4.243 4.759 -0.000 0.384 -0.000 3/31104 300.0 4.210 4.097 4.596 -0.000 0.370 -0.000 3/31104 310.0 4.068 3.961 4.444 -0.000 0.357 -0.000 3/31104 320.0 3.936 3.834 4.303 -0.000 0.344 -0.000 3/31104 330.0 3.812 3.715 4.171 -0.000 0.332 -0.000 3/31104 340.0 3.696 3.604 4.047 -0.000 0.322 -0.000 3/31104 350.0 3.588 3.499 3.930 -0.000 0.312 -0.000 3/31104 360.0 3.485 3.400 3.820 -0.000 0.302 -0.000 3/31104 370.0 3.389 3.307 3.716 -0.000 0.293 -0.000 3/31104 380.0 3.298 3.219 3.619 -0.000 0.285 -0.000 3/31104 390.0 3.212 3.136 3.526 -0.000 0.277 -0.000 3/31104 400.0 3.130 3.057 3.438 -0.000 0.270 -0.000 3/31104 410.0 3.053 2.982 3.354 -0.000 0.263 -0.000 3/31104 420.0 2.979 2.910 3.274 -0.000 0.256 -0.000 3/31104 430.0 2.909 2.842 3.199 -0.000 0.250 -0.000 3/31104 440.0 2.842 2.777 3.126 -0.000 0.244 -0.000 3/31104 450.0 2.778 2.715 3.057 -0.000 0.238 -0.000 3/31104 460.0 2.717 2.656 2.991 -0.000 0.232 -0.000 3/31104 470.0 2.659 2.600 2.928 -0.000 0.227 -0.000 3/31104 480.0 2.603 2.545 2.868 -0.000 0.222 -0.000 3/31104 490.0 2.550 2.493 2.809 -0.000 0.217 -0.000 3/31104 500.0 2.498 2.443 2.754 -0.000 0.213 -0.000 3/31104 510.0 2.449 2.396 2.700 -0.000 0.209 -0.000 3/31104 520.0 2.402 2.349 2.649 -0.000 0.204 -0.000 3/31104 530.0 2.356 2.305 2.599 -0.000 0.200 -0.000 3/31104 540.0 2.313 2.263 2.552 -0.000 0.197 -0.000 3/31104 550.0 2.270 2.221 2.506 -0.000 0.193 -0.000 3/31104 560.0 2.230 2.182 2.461 -0.000 0.189 -0.000 3/31104 570.0 2.191 2.144 2.418 -0.000 0.186 -0.000 3/31104 580.0 2.153 2.107 2.377 -0.000 0.183 -0.000 3/31104 590.0 2.116 2.071 2.337 -0.000 0.179 -0.000 3/31104 600.0 2.081 2.037 2.299 -0.000 0.176 -0.000 3/31104 610.0 2.047 2.003 2.261 -0.000 0.173 -0.000 3/31104 620.0 2.014 1.971 2.225 -0.000 0.170 -0.000 3/31104 630.0 1.982 1.940 2.190 -0.000 0.168 -0.000 3/31104 640.0 1.951 1.910 2.156 -0.000 0.165 -0.000 3/31104 650.0 1.921 1.880 2.123 -0.000 0.162 -0.000 3/31104 660.0 1.892 1.852 2.092 -0.000 0.160 -0.000 3/31104 670.0 1.863 1.824 2.061 -0.000 0.157 -0.000 3/31104 680.0 1.836 1.798 2.031 -0.000 0.155 -0.000 3/31104 690.0 1.809 1.772 2.001 -0.000 0.153 -0.000 3/31104 700.0 1.784 1.746 1.973 -0.000 0.151 -0.000 3/31104 710.0 1.759 1.722 1.945 -0.000 0.148 -0.000 3/31104 720.0 1.734 1.698 1.919 -0.000 0.146 -0.000 3/31104 730.0 1.710 1.675 1.893 -0.000 0.144 -0.000 3/31104 740.0 1.687 1.652 1.867 -0.000 0.142 -0.000 3/31104 750.0 1.665 1.630 1.843 -0.000 0.140 -0.000 3/31104 760.0 1.643 1.609 1.819 -0.000 0.138 -0.000 3/31104 770.0 1.622 1.588 1.795 -0.000 0.137 -0.000 3/31104 780.0 1.601 1.568 1.772 -0.000 0.135 -0.000 3/31104 790.0 1.581 1.548 1.750 -0.000 0.133 -0.000 3/31104 800.0 1.561 1.529 1.728 -0.000 0.131 -0.000 3/31104 810.0 1.542 1.510 1.707 -0.000 0.130 -0.000 3/31104 820.0 1.523 1.492 1.687 -0.000 0.128 -0.000 3/31104 830.0 1.505 1.474 1.666 -0.000 0.127 -0.000 3/31104 840.0 1.487 1.456 1.647 -0.000 0.125 -0.000 3/31104 850.0 1.469 1.439 1.627 -0.000 0.124 -0.000 3/31104 860.0 1.452 1.422 1.609 -0.000 0.122 -0.000 3/31104 870.0 1.436 1.406 1.590 -0.000 0.121 -0.000 3/31104 880.0 1.419 1.390 1.572 -0.000 0.119 -0.000 3/31104 890.0 1.403 1.375 1.555 -0.000 0.118 -0.000 3/31104 900.0 1.388 1.359 1.538 -0.000 0.117 -0.000 3/31104 910.0 1.373 1.344 1.521 -0.000 0.115 -0.000 3/31104 920.0 1.358 1.330 1.504 -0.000 0.114 -0.000 3/31104 930.0 1.343 1.316 1.488 -0.000 0.113 -0.000 3/31104 940.0 1.329 1.302 1.473 -0.000 0.112 -0.000 3/31104 950.0 1.315 1.288 1.457 -0.000 0.110 -0.000 3/31104 960.0 1.301 1.275 1.442 -0.000 0.109 -0.000 3/31104 970.0 1.288 1.262 1.427 -0.000 0.108 -0.000 3/31104 980.0 1.275 1.249 1.413 -0.000 0.107 -0.000 3/31104 990.0 1.262 1.236 1.399 -0.000 0.106 -0.000 3/31104 1000.0 1.249 1.224 1.385 -0.000 0.105 -0.000 3/31104 Thermal conductivity related properties were written into "kappa-m889.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:56:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|