----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:35:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.767854440445684 0.000000000000000 0.000000000000000 b 0.000000000000000 9.224733370000001 0.000000000000000 c -6.574624204135707 0.000000000000000 9.254393723039213 Atomic positions (fractional): *1 O 0.50507195394461 0.72230120082052 0.43528672285111 15.999 *2 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 3 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 *4 O 0.73258786917943 0.07863507194785 0.77947847460357 15.999 5 O 0.49492804605539 0.22230120082052 0.06471327714889 15.999 6 O 0.49492804605539 0.27769879917948 0.56471327714889 15.999 7 O 0.50507195394461 0.77769879917948 0.93528672285111 15.999 *8 O 0.91165604161658 0.34329917538696 0.12615491068138 15.999 9 O 0.08834395838341 0.84329917538696 0.37384508931862 15.999 10 O 0.08834395838341 0.65670082461304 0.87384508931862 15.999 11 O 0.91165604161658 0.15670082461304 0.62615491068138 15.999 12 O 0.73258786917943 0.42136492805215 0.27947847460357 15.999 13 O 0.26741213082057 0.92136492805215 0.22052152539643 15.999 14 O 0.26741213082057 0.57863507194785 0.72052152539643 15.999 *15 Si 0.66744660516419 0.36766319374498 0.12290035244359 28.085 16 Si 0.66744660516419 0.13233680625502 0.62290035244359 28.085 17 Si 0.33255339483581 0.63233680625502 0.87709964755641 28.085 18 Si 0.33255339483581 0.86766319374498 0.37709964755641 28.085 *19 Rb 0.97838571066236 0.64765120414998 0.09141949264524 85.468 20 Rb 0.97838571066236 0.85234879585002 0.59141949264524 85.468 21 Rb 0.02161428933764 0.35234879585002 0.90858050735476 85.468 *22 Rb 0.79268260927625 0.02683205000266 0.04465556837115 85.468 23 Rb 0.20731739072375 0.52683205000265 0.45534443162885 85.468 24 Rb 0.20731739072375 0.97316794999735 0.95534443162885 85.468 25 Rb 0.79268260927625 0.47316794999735 0.54465556837115 85.468 *26 Rb 0.60799583504288 0.72162645943415 0.22382608065680 85.468 27 Rb 0.39200416495712 0.22162645943415 0.27617391934321 85.468 28 Rb 0.39200416495712 0.27837354056585 0.77617391934321 85.468 29 Rb 0.60799583504288 0.77837354056585 0.72382608065679 85.468 30 Rb 0.02161428933764 0.14765120414998 0.40858050735476 85.468 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.767854440445684 0.000000000000000 0.000000000000000 b 0.000000000000000 9.224733370000001 0.000000000000000 c -6.574624204135707 0.000000000000000 9.254393723039213 Atomic positions (fractional): *1 O 0.50507195394461 0.72230120082052 0.43528672285111 15.999 > 1 *2 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 2 3 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 3 *4 O 0.73258786917943 0.07863507194785 0.77947847460357 15.999 > 4 5 O 0.49492804605539 0.22230120082052 0.06471327714889 15.999 > 5 6 O 0.49492804605539 0.27769879917948 0.56471327714889 15.999 > 6 7 O 0.50507195394461 0.77769879917948 0.93528672285111 15.999 > 7 *8 O 0.91165604161658 0.34329917538696 0.12615491068138 15.999 > 8 9 O 0.08834395838341 0.84329917538696 0.37384508931862 15.999 > 9 10 O 0.08834395838341 0.65670082461304 0.87384508931862 15.999 > 10 11 O 0.91165604161658 0.15670082461304 0.62615491068138 15.999 > 11 12 O 0.73258786917943 0.42136492805215 0.27947847460357 15.999 > 12 13 O 0.26741213082057 0.92136492805215 0.22052152539643 15.999 > 13 14 O 0.26741213082057 0.57863507194785 0.72052152539643 15.999 > 14 *15 Si 0.66744660516419 0.36766319374498 0.12290035244359 28.085 > 15 16 Si 0.66744660516419 0.13233680625502 0.62290035244359 28.085 > 16 17 Si 0.33255339483581 0.63233680625502 0.87709964755641 28.085 > 17 18 Si 0.33255339483581 0.86766319374498 0.37709964755641 28.085 > 18 *19 Rb 0.97838571066236 0.64765120414998 0.09141949264524 85.468 > 19 20 Rb 0.97838571066236 0.85234879585002 0.59141949264524 85.468 > 20 21 Rb 0.02161428933764 0.35234879585002 0.90858050735476 85.468 > 21 *22 Rb 0.79268260927625 0.02683205000266 0.04465556837115 85.468 > 22 23 Rb 0.20731739072375 0.52683205000265 0.45534443162885 85.468 > 23 24 Rb 0.20731739072375 0.97316794999735 0.95534443162885 85.468 > 24 25 Rb 0.79268260927625 0.47316794999735 0.54465556837115 85.468 > 25 *26 Rb 0.60799583504288 0.72162645943415 0.22382608065680 85.468 > 26 27 Rb 0.39200416495712 0.22162645943415 0.27617391934321 85.468 > 27 28 Rb 0.39200416495712 0.27837354056585 0.77617391934321 85.468 > 28 29 Rb 0.60799583504288 0.77837354056585 0.72382608065679 85.468 > 29 30 Rb 0.02161428933764 0.14765120414998 0.40858050735476 85.468 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.535708880891368 0.000000000000000 0.000000000000000 b 0.000000000000000 18.449466740000002 0.000000000000000 c -6.574624204135707 0.000000000000000 9.254393723039213 Atomic positions (fractional): *1 O 0.25253597697231 0.36115060041026 0.43528672285111 15.999 > 1 2 O 0.75253597697231 0.36115060041026 0.43528672285111 15.999 > 1 3 O 0.25253597697231 0.86115060041026 0.43528672285111 15.999 > 1 4 O 0.75253597697231 0.86115060041026 0.43528672285111 15.999 > 1 *5 O 0.25000000000000 0.00000000000000 0.50000000000000 15.999 > 2 6 O 0.75000000000000 0.00000000000000 0.50000000000000 15.999 > 2 7 O 0.25000000000000 0.50000000000000 0.50000000000000 15.999 > 2 8 O 0.75000000000000 0.50000000000000 0.50000000000000 15.999 > 2 9 O 0.25000000000000 0.25000000000000 0.00000000000000 15.999 > 3 10 O 0.75000000000000 0.25000000000000 0.00000000000000 15.999 > 3 11 O 0.25000000000000 0.75000000000000 0.00000000000000 15.999 > 3 12 O 0.75000000000000 0.75000000000000 0.00000000000000 15.999 > 3 *13 O 0.36629393458972 0.03931753597393 0.77947847460357 15.999 > 4 14 O 0.86629393458972 0.03931753597393 0.77947847460357 15.999 > 4 15 O 0.36629393458972 0.53931753597393 0.77947847460357 15.999 > 4 16 O 0.86629393458972 0.53931753597393 0.77947847460357 15.999 > 4 17 O 0.24746402302769 0.11115060041026 0.06471327714889 15.999 > 5 18 O 0.74746402302769 0.11115060041026 0.06471327714889 15.999 > 5 19 O 0.24746402302769 0.61115060041026 0.06471327714889 15.999 > 5 20 O 0.74746402302769 0.61115060041026 0.06471327714889 15.999 > 5 21 O 0.24746402302769 0.13884939958974 0.56471327714889 15.999 > 6 22 O 0.74746402302769 0.13884939958974 0.56471327714889 15.999 > 6 23 O 0.24746402302769 0.63884939958974 0.56471327714889 15.999 > 6 24 O 0.74746402302769 0.63884939958974 0.56471327714889 15.999 > 6 25 O 0.25253597697231 0.38884939958974 0.93528672285111 15.999 > 7 26 O 0.75253597697231 0.38884939958974 0.93528672285111 15.999 > 7 27 O 0.25253597697231 0.88884939958974 0.93528672285111 15.999 > 7 28 O 0.75253597697231 0.88884939958974 0.93528672285111 15.999 > 7 *29 O 0.45582802080829 0.17164958769348 0.12615491068138 15.999 > 8 30 O 0.95582802080829 0.17164958769348 0.12615491068138 15.999 > 8 31 O 0.45582802080829 0.67164958769348 0.12615491068138 15.999 > 8 32 O 0.95582802080829 0.67164958769348 0.12615491068138 15.999 > 8 33 O 0.04417197919171 0.42164958769348 0.37384508931862 15.999 > 9 34 O 0.54417197919171 0.42164958769348 0.37384508931862 15.999 > 9 35 O 0.04417197919171 0.92164958769348 0.37384508931862 15.999 > 9 36 O 0.54417197919171 0.92164958769348 0.37384508931862 15.999 > 9 37 O 0.04417197919171 0.32835041230652 0.87384508931862 15.999 > 10 38 O 0.54417197919171 0.32835041230652 0.87384508931862 15.999 > 10 39 O 0.04417197919171 0.82835041230652 0.87384508931862 15.999 > 10 40 O 0.54417197919171 0.82835041230652 0.87384508931862 15.999 > 10 41 O 0.45582802080829 0.07835041230652 0.62615491068138 15.999 > 11 42 O 0.95582802080829 0.07835041230652 0.62615491068138 15.999 > 11 43 O 0.45582802080829 0.57835041230652 0.62615491068138 15.999 > 11 44 O 0.95582802080829 0.57835041230652 0.62615491068138 15.999 > 11 45 O 0.36629393458972 0.21068246402607 0.27947847460357 15.999 > 12 46 O 0.86629393458972 0.21068246402607 0.27947847460357 15.999 > 12 47 O 0.36629393458972 0.71068246402607 0.27947847460357 15.999 > 12 48 O 0.86629393458972 0.71068246402607 0.27947847460357 15.999 > 12 49 O 0.13370606541028 0.46068246402607 0.22052152539643 15.999 > 13 50 O 0.63370606541028 0.46068246402607 0.22052152539643 15.999 > 13 51 O 0.13370606541028 0.96068246402607 0.22052152539643 15.999 > 13 52 O 0.63370606541028 0.96068246402607 0.22052152539643 15.999 > 13 53 O 0.13370606541028 0.28931753597393 0.72052152539643 15.999 > 14 54 O 0.63370606541028 0.28931753597393 0.72052152539643 15.999 > 14 55 O 0.13370606541028 0.78931753597393 0.72052152539643 15.999 > 14 56 O 0.63370606541028 0.78931753597393 0.72052152539643 15.999 > 14 *57 Si 0.33372330258209 0.18383159687249 0.12290035244359 28.085 > 15 58 Si 0.83372330258209 0.18383159687249 0.12290035244359 28.085 > 15 59 Si 0.33372330258209 0.68383159687249 0.12290035244359 28.085 > 15 60 Si 0.83372330258209 0.68383159687249 0.12290035244359 28.085 > 15 61 Si 0.33372330258209 0.06616840312751 0.62290035244359 28.085 > 16 62 Si 0.83372330258209 0.06616840312751 0.62290035244359 28.085 > 16 63 Si 0.33372330258209 0.56616840312751 0.62290035244359 28.085 > 16 64 Si 0.83372330258209 0.56616840312751 0.62290035244359 28.085 > 16 65 Si 0.16627669741791 0.31616840312751 0.87709964755641 28.085 > 17 66 Si 0.66627669741791 0.31616840312751 0.87709964755641 28.085 > 17 67 Si 0.16627669741791 0.81616840312751 0.87709964755641 28.085 > 17 68 Si 0.66627669741791 0.81616840312751 0.87709964755641 28.085 > 17 69 Si 0.16627669741791 0.43383159687249 0.37709964755641 28.085 > 18 70 Si 0.66627669741791 0.43383159687249 0.37709964755641 28.085 > 18 71 Si 0.16627669741791 0.93383159687249 0.37709964755641 28.085 > 18 72 Si 0.66627669741791 0.93383159687249 0.37709964755641 28.085 > 18 *73 Rb 0.48919285533118 0.32382560207499 0.09141949264524 85.468 > 19 74 Rb 0.98919285533118 0.32382560207499 0.09141949264524 85.468 > 19 75 Rb 0.48919285533118 0.82382560207499 0.09141949264524 85.468 > 19 76 Rb 0.98919285533118 0.82382560207499 0.09141949264524 85.468 > 19 77 Rb 0.48919285533118 0.42617439792501 0.59141949264524 85.468 > 20 78 Rb 0.98919285533118 0.42617439792501 0.59141949264524 85.468 > 20 79 Rb 0.48919285533118 0.92617439792501 0.59141949264524 85.468 > 20 80 Rb 0.98919285533118 0.92617439792501 0.59141949264524 85.468 > 20 81 Rb 0.01080714466882 0.17617439792501 0.90858050735476 85.468 > 21 82 Rb 0.51080714466882 0.17617439792501 0.90858050735476 85.468 > 21 83 Rb 0.01080714466882 0.67617439792501 0.90858050735476 85.468 > 21 84 Rb 0.51080714466882 0.67617439792501 0.90858050735476 85.468 > 21 *85 Rb 0.39634130463813 0.01341602500133 0.04465556837115 85.468 > 22 86 Rb 0.89634130463813 0.01341602500133 0.04465556837115 85.468 > 22 87 Rb 0.39634130463813 0.51341602500133 0.04465556837115 85.468 > 22 88 Rb 0.89634130463813 0.51341602500133 0.04465556837115 85.468 > 22 89 Rb 0.10365869536187 0.26341602500133 0.45534443162885 85.468 > 23 90 Rb 0.60365869536187 0.26341602500133 0.45534443162885 85.468 > 23 91 Rb 0.10365869536187 0.76341602500133 0.45534443162885 85.468 > 23 92 Rb 0.60365869536187 0.76341602500133 0.45534443162885 85.468 > 23 93 Rb 0.10365869536187 0.48658397499867 0.95534443162885 85.468 > 24 94 Rb 0.60365869536187 0.48658397499867 0.95534443162885 85.468 > 24 95 Rb 0.10365869536187 0.98658397499867 0.95534443162885 85.468 > 24 96 Rb 0.60365869536187 0.98658397499867 0.95534443162885 85.468 > 24 97 Rb 0.39634130463813 0.23658397499867 0.54465556837115 85.468 > 25 98 Rb 0.89634130463813 0.23658397499867 0.54465556837115 85.468 > 25 99 Rb 0.39634130463813 0.73658397499867 0.54465556837115 85.468 > 25 100 Rb 0.89634130463813 0.73658397499867 0.54465556837115 85.468 > 25 *101 Rb 0.30399791752144 0.36081322971708 0.22382608065680 85.468 > 26 102 Rb 0.80399791752144 0.36081322971708 0.22382608065680 85.468 > 26 103 Rb 0.30399791752144 0.86081322971708 0.22382608065680 85.468 > 26 104 Rb 0.80399791752144 0.86081322971708 0.22382608065680 85.468 > 26 105 Rb 0.19600208247856 0.11081322971708 0.27617391934321 85.468 > 27 106 Rb 0.69600208247856 0.11081322971708 0.27617391934321 85.468 > 27 107 Rb 0.19600208247856 0.61081322971708 0.27617391934321 85.468 > 27 108 Rb 0.69600208247856 0.61081322971708 0.27617391934321 85.468 > 27 109 Rb 0.19600208247856 0.13918677028292 0.77617391934321 85.468 > 28 110 Rb 0.69600208247856 0.13918677028292 0.77617391934321 85.468 > 28 111 Rb 0.19600208247856 0.63918677028292 0.77617391934321 85.468 > 28 112 Rb 0.69600208247856 0.63918677028292 0.77617391934321 85.468 > 28 113 Rb 0.30399791752144 0.38918677028292 0.72382608065679 85.468 > 29 114 Rb 0.80399791752144 0.38918677028292 0.72382608065679 85.468 > 29 115 Rb 0.30399791752144 0.88918677028292 0.72382608065679 85.468 > 29 116 Rb 0.80399791752144 0.88918677028292 0.72382608065679 85.468 > 29 117 Rb 0.01080714466882 0.07382560207499 0.40858050735476 85.468 > 30 118 Rb 0.51080714466882 0.07382560207499 0.40858050735476 85.468 > 30 119 Rb 0.01080714466882 0.57382560207499 0.40858050735476 85.468 > 30 120 Rb 0.51080714466882 0.57382560207499 0.40858050735476 85.468 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7638417 0.0000000 0.0080562 0.0000000 2.7781842 0.0000000 0.0080554 0.0000000 2.7638488 -------------------------- Born effective charges -------------------------- 1 O -1.7911040 0.2615745 -0.1244317 0.3449207 -2.0582785 0.2890700 -0.1037650 0.1946713 -1.6038487 2 O -1.2065155 -0.3377449 -0.3480766 -0.3016045 -2.4594768 -1.0709567 -0.3739927 -1.0435037 -2.2219289 3 O -1.2065155 0.3377449 -0.3480766 0.3016045 -2.4594768 1.0709567 -0.3739927 1.0435037 -2.2219289 4 O -1.5775321 -0.0752701 0.2273782 -0.0223219 -1.6489945 0.2119211 0.3118892 0.2544474 -2.1903345 5 O -1.7911040 -0.2615745 -0.1244317 -0.3449207 -2.0582785 -0.2890700 -0.1037650 -0.1946713 -1.6038487 6 O -1.7911040 0.2615745 -0.1244317 0.3449207 -2.0582785 0.2890700 -0.1037650 0.1946713 -1.6038487 7 O -1.7911040 -0.2615745 -0.1244317 -0.3449207 -2.0582785 -0.2890700 -0.1037650 -0.1946713 -1.6038487 8 O -2.3339244 0.1218442 0.0270121 0.1579018 -1.5865459 0.0216345 -0.0413521 0.0148350 -1.4646025 9 O -2.3339244 -0.1218442 0.0270121 -0.1579018 -1.5865459 -0.0216345 -0.0413521 -0.0148350 -1.4646025 10 O -2.3339244 0.1218442 0.0270121 0.1579018 -1.5865459 0.0216345 -0.0413521 0.0148350 -1.4646025 11 O -2.3339244 -0.1218442 0.0270121 -0.1579018 -1.5865459 -0.0216345 -0.0413521 -0.0148350 -1.4646025 12 O -1.5775321 0.0752701 0.2273782 0.0223219 -1.6489945 -0.2119211 0.3118892 -0.2544474 -2.1903345 13 O -1.5775321 -0.0752701 0.2273782 -0.0223219 -1.6489945 0.2119211 0.3118892 0.2544474 -2.1903345 14 O -1.5775321 0.0752701 0.2273782 0.0223219 -1.6489945 -0.2119211 0.3118892 -0.2544474 -2.1903345 15 Si 2.6162855 -0.0801571 0.0604742 -0.0478404 2.7815320 -0.1403801 0.0492828 -0.1439576 2.8232625 16 Si 2.6162855 0.0801571 0.0604742 0.0478404 2.7815320 0.1403801 0.0492828 0.1439576 2.8232625 17 Si 2.6162855 -0.0801571 0.0604742 -0.0478404 2.7815320 -0.1403801 0.0492828 -0.1439576 2.8232625 18 Si 2.6162855 0.0801571 0.0604742 0.0478404 2.7815320 0.1403801 0.0492828 0.1439576 2.8232625 19 Rb 1.3024734 0.1057982 0.0293615 0.1073811 1.2348051 0.0646771 0.0473764 0.0597755 1.1376013 20 Rb 1.3024734 -0.1057982 0.0293615 -0.1073811 1.2348051 -0.0646771 0.0473764 -0.0597755 1.1376013 21 Rb 1.3024734 0.1057982 0.0293615 0.1073811 1.2348051 0.0646771 0.0473764 0.0597755 1.1376013 22 Rb 1.1485721 -0.0386427 0.0435495 -0.0513886 1.3487712 0.0006816 0.0402085 -0.0018030 1.1963099 23 Rb 1.1485721 0.0386427 0.0435495 0.0513886 1.3487712 -0.0006816 0.0402085 0.0018030 1.1963099 24 Rb 1.1485721 -0.0386427 0.0435495 -0.0513886 1.3487712 0.0006816 0.0402085 -0.0018030 1.1963099 25 Rb 1.1485721 0.0386427 0.0435495 0.0513886 1.3487712 -0.0006816 0.0402085 0.0018030 1.1963099 26 Rb 1.2384872 -0.1056934 -0.0893055 -0.1154622 1.1584491 0.0755582 -0.1166434 0.0794085 1.2125764 27 Rb 1.2384872 0.1056934 -0.0893055 0.1154622 1.1584491 -0.0755582 -0.1166434 -0.0794085 1.2125764 28 Rb 1.2384872 -0.1056934 -0.0893055 -0.1154622 1.1584491 0.0755582 -0.1166434 0.0794085 1.2125764 29 Rb 1.2384872 0.1056934 -0.0893055 0.1154622 1.1584491 -0.0755582 -0.1166434 -0.0794085 1.2125764 30 Rb 1.3024734 -0.1057982 0.0293615 -0.1073811 1.2348051 -0.0646771 0.0473764 -0.0597755 1.1376013 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4194 Number of blocks in projector: 4194 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: 902 Use submatrix version of eigh solver. (1) Block: 500 / 902 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 902 / 902 (1) 386 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 902 Use submatrix version of eigh solver. (1) Block: 500 / 902 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 902 / 902 (1) 386 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 902 Use submatrix version of eigh solver. (1) Block: 500 / 902 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 902 / 902 (1) 392 eigenvectors found. (1) Complementary block size: 25 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 496 Use standard eigh solver. Tree of FC basis block matrices: - (4194, 4123), data: False |-- (496, 488), data: True |-- (496, 488), data: True |-- (496, 488), data: True |-- (902, 887), data: False |-- (902, 10), data: (902, 25) @ (25, 10) |-- (402, 392), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (902, 886), data: False |-- (902, 15), data: (902, 31) @ (31, 15) |-- (402, 386), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (902, 886), data: False |-- (902, 15), data: (902, 31) @ (31, 15) |-- (402, 386), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.224 Solver_block: 200 / 960 - Time: 1.089 Solver_block: 300 / 960 - Time: 2.143 Solver_block: 400 / 960 - Time: 3.106 Solver_block: 500 / 960 - Time: 1.405 Solver_block: 600 / 960 - Time: 1.194 Solver_block: 700 / 960 - Time: 1.843 Solver_block: 800 / 960 - Time: 2.786 Solver_block: 900 / 960 - Time: 1.105 Solver_block: 960 / 960 - Time: 0.683 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 16.919 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4194 Number of blocks in projector: 4194 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: 902 Use submatrix version of eigh solver. (1) Block: 500 / 902 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 902 / 902 (1) 386 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 902 Use submatrix version of eigh solver. (1) Block: 500 / 902 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 902 / 902 (1) 386 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 902 Use submatrix version of eigh solver. (1) Block: 500 / 902 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 902 / 902 (1) 392 eigenvectors found. (1) Complementary block size: 25 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 496 Use standard eigh solver. Tree of FC basis block matrices: - (4194, 4123), data: False |-- (496, 488), data: True |-- (496, 488), data: True |-- (496, 488), data: True |-- (902, 887), data: False |-- (902, 10), data: (902, 25) @ (25, 10) |-- (402, 392), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (902, 886), data: False |-- (902, 15), data: (902, 31) @ (31, 15) |-- (402, 386), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (902, 886), data: False |-- (902, 15), data: (902, 31) @ (31, 15) |-- (402, 386), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) 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 04:36:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:36:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.767854440445684 0.000000000000000 0.000000000000000 b 0.000000000000000 9.224733370000001 0.000000000000000 c -6.574624204135707 0.000000000000000 9.254393723039213 Atomic positions (fractional): 1 O 0.50507195394461 0.72230120082052 0.43528672285111 15.999 2 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 3 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 4 O 0.73258786917943 0.07863507194785 0.77947847460357 15.999 5 O 0.49492804605539 0.22230120082052 0.06471327714889 15.999 6 O 0.49492804605539 0.27769879917948 0.56471327714889 15.999 7 O 0.50507195394461 0.77769879917948 0.93528672285111 15.999 8 O 0.91165604161658 0.34329917538696 0.12615491068138 15.999 9 O 0.08834395838341 0.84329917538696 0.37384508931862 15.999 10 O 0.08834395838341 0.65670082461304 0.87384508931862 15.999 11 O 0.91165604161658 0.15670082461304 0.62615491068138 15.999 12 O 0.73258786917943 0.42136492805215 0.27947847460357 15.999 13 O 0.26741213082057 0.92136492805215 0.22052152539643 15.999 14 O 0.26741213082057 0.57863507194785 0.72052152539643 15.999 15 Si 0.66744660516419 0.36766319374498 0.12290035244359 28.085 16 Si 0.66744660516419 0.13233680625502 0.62290035244359 28.085 17 Si 0.33255339483581 0.63233680625502 0.87709964755641 28.085 18 Si 0.33255339483581 0.86766319374498 0.37709964755641 28.085 19 Rb 0.97838571066236 0.64765120414998 0.09141949264524 85.468 20 Rb 0.97838571066236 0.85234879585002 0.59141949264524 85.468 21 Rb 0.02161428933764 0.35234879585002 0.90858050735476 85.468 22 Rb 0.79268260927625 0.02683205000266 0.04465556837115 85.468 23 Rb 0.20731739072375 0.52683205000265 0.45534443162885 85.468 24 Rb 0.20731739072375 0.97316794999735 0.95534443162885 85.468 25 Rb 0.79268260927625 0.47316794999735 0.54465556837115 85.468 26 Rb 0.60799583504288 0.72162645943415 0.22382608065680 85.468 27 Rb 0.39200416495712 0.22162645943415 0.27617391934321 85.468 28 Rb 0.39200416495712 0.27837354056585 0.77617391934321 85.468 29 Rb 0.60799583504288 0.77837354056585 0.72382608065679 85.468 30 Rb 0.02161428933764 0.14765120414998 0.40858050735476 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.535708880891368 0.000000000000000 0.000000000000000 b 0.000000000000000 18.449466740000002 0.000000000000000 c -6.574624204135707 0.000000000000000 9.254393723039213 Atomic positions (fractional): 1 O 0.25253597697231 0.36115060041026 0.43528672285111 15.999 > 1 2 O 0.75253597697231 0.36115060041026 0.43528672285111 15.999 > 1 3 O 0.25253597697231 0.86115060041026 0.43528672285111 15.999 > 1 4 O 0.75253597697231 0.86115060041026 0.43528672285111 15.999 > 1 5 O 0.25000000000000 0.00000000000000 0.50000000000000 15.999 > 5 6 O 0.75000000000000 0.00000000000000 0.50000000000000 15.999 > 5 7 O 0.25000000000000 0.50000000000000 0.50000000000000 15.999 > 5 8 O 0.75000000000000 0.50000000000000 0.50000000000000 15.999 > 5 9 O 0.25000000000000 0.25000000000000 0.00000000000000 15.999 > 9 10 O 0.75000000000000 0.25000000000000 0.00000000000000 15.999 > 9 11 O 0.25000000000000 0.75000000000000 0.00000000000000 15.999 > 9 12 O 0.75000000000000 0.75000000000000 0.00000000000000 15.999 > 9 13 O 0.36629393458972 0.03931753597393 0.77947847460357 15.999 > 13 14 O 0.86629393458972 0.03931753597393 0.77947847460357 15.999 > 13 15 O 0.36629393458972 0.53931753597393 0.77947847460357 15.999 > 13 16 O 0.86629393458972 0.53931753597393 0.77947847460357 15.999 > 13 17 O 0.24746402302769 0.11115060041026 0.06471327714889 15.999 > 17 18 O 0.74746402302769 0.11115060041026 0.06471327714889 15.999 > 17 19 O 0.24746402302769 0.61115060041026 0.06471327714889 15.999 > 17 20 O 0.74746402302769 0.61115060041026 0.06471327714889 15.999 > 17 21 O 0.24746402302769 0.13884939958974 0.56471327714889 15.999 > 21 22 O 0.74746402302769 0.13884939958974 0.56471327714889 15.999 > 21 23 O 0.24746402302769 0.63884939958974 0.56471327714889 15.999 > 21 24 O 0.74746402302769 0.63884939958974 0.56471327714889 15.999 > 21 25 O 0.25253597697231 0.38884939958974 0.93528672285111 15.999 > 25 26 O 0.75253597697231 0.38884939958974 0.93528672285111 15.999 > 25 27 O 0.25253597697231 0.88884939958974 0.93528672285111 15.999 > 25 28 O 0.75253597697231 0.88884939958974 0.93528672285111 15.999 > 25 29 O 0.45582802080829 0.17164958769348 0.12615491068138 15.999 > 29 30 O 0.95582802080829 0.17164958769348 0.12615491068138 15.999 > 29 31 O 0.45582802080829 0.67164958769348 0.12615491068138 15.999 > 29 32 O 0.95582802080829 0.67164958769348 0.12615491068138 15.999 > 29 33 O 0.04417197919171 0.42164958769348 0.37384508931862 15.999 > 33 34 O 0.54417197919171 0.42164958769348 0.37384508931862 15.999 > 33 35 O 0.04417197919171 0.92164958769348 0.37384508931862 15.999 > 33 36 O 0.54417197919171 0.92164958769348 0.37384508931862 15.999 > 33 37 O 0.04417197919171 0.32835041230652 0.87384508931862 15.999 > 37 38 O 0.54417197919171 0.32835041230652 0.87384508931862 15.999 > 37 39 O 0.04417197919171 0.82835041230652 0.87384508931862 15.999 > 37 40 O 0.54417197919171 0.82835041230652 0.87384508931862 15.999 > 37 41 O 0.45582802080829 0.07835041230652 0.62615491068138 15.999 > 41 42 O 0.95582802080829 0.07835041230652 0.62615491068138 15.999 > 41 43 O 0.45582802080829 0.57835041230652 0.62615491068138 15.999 > 41 44 O 0.95582802080829 0.57835041230652 0.62615491068138 15.999 > 41 45 O 0.36629393458972 0.21068246402607 0.27947847460357 15.999 > 45 46 O 0.86629393458972 0.21068246402607 0.27947847460357 15.999 > 45 47 O 0.36629393458972 0.71068246402607 0.27947847460357 15.999 > 45 48 O 0.86629393458972 0.71068246402607 0.27947847460357 15.999 > 45 49 O 0.13370606541028 0.46068246402607 0.22052152539643 15.999 > 49 50 O 0.63370606541028 0.46068246402607 0.22052152539643 15.999 > 49 51 O 0.13370606541028 0.96068246402607 0.22052152539643 15.999 > 49 52 O 0.63370606541028 0.96068246402607 0.22052152539643 15.999 > 49 53 O 0.13370606541028 0.28931753597393 0.72052152539643 15.999 > 53 54 O 0.63370606541028 0.28931753597393 0.72052152539643 15.999 > 53 55 O 0.13370606541028 0.78931753597393 0.72052152539643 15.999 > 53 56 O 0.63370606541028 0.78931753597393 0.72052152539643 15.999 > 53 57 Si 0.33372330258209 0.18383159687249 0.12290035244359 28.085 > 57 58 Si 0.83372330258209 0.18383159687249 0.12290035244359 28.085 > 57 59 Si 0.33372330258209 0.68383159687249 0.12290035244359 28.085 > 57 60 Si 0.83372330258209 0.68383159687249 0.12290035244359 28.085 > 57 61 Si 0.33372330258209 0.06616840312751 0.62290035244359 28.085 > 61 62 Si 0.83372330258209 0.06616840312751 0.62290035244359 28.085 > 61 63 Si 0.33372330258209 0.56616840312751 0.62290035244359 28.085 > 61 64 Si 0.83372330258209 0.56616840312751 0.62290035244359 28.085 > 61 65 Si 0.16627669741791 0.31616840312751 0.87709964755641 28.085 > 65 66 Si 0.66627669741791 0.31616840312751 0.87709964755641 28.085 > 65 67 Si 0.16627669741791 0.81616840312751 0.87709964755641 28.085 > 65 68 Si 0.66627669741791 0.81616840312751 0.87709964755641 28.085 > 65 69 Si 0.16627669741791 0.43383159687249 0.37709964755641 28.085 > 69 70 Si 0.66627669741791 0.43383159687249 0.37709964755641 28.085 > 69 71 Si 0.16627669741791 0.93383159687249 0.37709964755641 28.085 > 69 72 Si 0.66627669741791 0.93383159687249 0.37709964755641 28.085 > 69 73 Rb 0.48919285533118 0.32382560207499 0.09141949264524 85.468 > 73 74 Rb 0.98919285533118 0.32382560207499 0.09141949264524 85.468 > 73 75 Rb 0.48919285533118 0.82382560207499 0.09141949264524 85.468 > 73 76 Rb 0.98919285533118 0.82382560207499 0.09141949264524 85.468 > 73 77 Rb 0.48919285533118 0.42617439792501 0.59141949264524 85.468 > 77 78 Rb 0.98919285533118 0.42617439792501 0.59141949264524 85.468 > 77 79 Rb 0.48919285533118 0.92617439792501 0.59141949264524 85.468 > 77 80 Rb 0.98919285533118 0.92617439792501 0.59141949264524 85.468 > 77 81 Rb 0.01080714466882 0.17617439792501 0.90858050735476 85.468 > 81 82 Rb 0.51080714466882 0.17617439792501 0.90858050735476 85.468 > 81 83 Rb 0.01080714466882 0.67617439792501 0.90858050735476 85.468 > 81 84 Rb 0.51080714466882 0.67617439792501 0.90858050735476 85.468 > 81 85 Rb 0.39634130463813 0.01341602500133 0.04465556837115 85.468 > 85 86 Rb 0.89634130463813 0.01341602500133 0.04465556837115 85.468 > 85 87 Rb 0.39634130463813 0.51341602500133 0.04465556837115 85.468 > 85 88 Rb 0.89634130463813 0.51341602500133 0.04465556837115 85.468 > 85 89 Rb 0.10365869536187 0.26341602500133 0.45534443162885 85.468 > 89 90 Rb 0.60365869536187 0.26341602500133 0.45534443162885 85.468 > 89 91 Rb 0.10365869536187 0.76341602500133 0.45534443162885 85.468 > 89 92 Rb 0.60365869536187 0.76341602500133 0.45534443162885 85.468 > 89 93 Rb 0.10365869536187 0.48658397499867 0.95534443162885 85.468 > 93 94 Rb 0.60365869536187 0.48658397499867 0.95534443162885 85.468 > 93 95 Rb 0.10365869536187 0.98658397499867 0.95534443162885 85.468 > 93 96 Rb 0.60365869536187 0.98658397499867 0.95534443162885 85.468 > 93 97 Rb 0.39634130463813 0.23658397499867 0.54465556837115 85.468 > 97 98 Rb 0.89634130463813 0.23658397499867 0.54465556837115 85.468 > 97 99 Rb 0.39634130463813 0.73658397499867 0.54465556837115 85.468 > 97 100 Rb 0.89634130463813 0.73658397499867 0.54465556837115 85.468 > 97 101 Rb 0.30399791752144 0.36081322971708 0.22382608065680 85.468 > 101 102 Rb 0.80399791752144 0.36081322971708 0.22382608065680 85.468 > 101 103 Rb 0.30399791752144 0.86081322971708 0.22382608065680 85.468 > 101 104 Rb 0.80399791752144 0.86081322971708 0.22382608065680 85.468 > 101 105 Rb 0.19600208247856 0.11081322971708 0.27617391934321 85.468 > 105 106 Rb 0.69600208247856 0.11081322971708 0.27617391934321 85.468 > 105 107 Rb 0.19600208247856 0.61081322971708 0.27617391934321 85.468 > 105 108 Rb 0.69600208247856 0.61081322971708 0.27617391934321 85.468 > 105 109 Rb 0.19600208247856 0.13918677028292 0.77617391934321 85.468 > 109 110 Rb 0.69600208247856 0.13918677028292 0.77617391934321 85.468 > 109 111 Rb 0.19600208247856 0.63918677028292 0.77617391934321 85.468 > 109 112 Rb 0.69600208247856 0.63918677028292 0.77617391934321 85.468 > 109 113 Rb 0.30399791752144 0.38918677028292 0.72382608065679 85.468 > 113 114 Rb 0.80399791752144 0.38918677028292 0.72382608065679 85.468 > 113 115 Rb 0.30399791752144 0.88918677028292 0.72382608065679 85.468 > 113 116 Rb 0.80399791752144 0.88918677028292 0.72382608065679 85.468 > 113 117 Rb 0.01080714466882 0.07382560207499 0.40858050735476 85.468 > 117 118 Rb 0.51080714466882 0.07382560207499 0.40858050735476 85.468 > 117 119 Rb 0.01080714466882 0.57382560207499 0.40858050735476 85.468 > 117 120 Rb 0.51080714466882 0.57382560207499 0.40858050735476 85.468 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7638417 0.0000000 0.0080562 0.0000000 2.7781842 0.0000000 0.0080554 0.0000000 2.7638488 -------------------------- Born effective charges -------------------------- 1 O -1.7911040 0.2615745 -0.1244317 0.3449207 -2.0582785 0.2890700 -0.1037650 0.1946713 -1.6038487 2 O -1.2065155 -0.3377449 -0.3480766 -0.3016045 -2.4594768 -1.0709567 -0.3739927 -1.0435037 -2.2219289 3 O -1.2065155 0.3377449 -0.3480766 0.3016045 -2.4594768 1.0709567 -0.3739927 1.0435037 -2.2219289 4 O -1.5775321 -0.0752701 0.2273782 -0.0223219 -1.6489945 0.2119211 0.3118892 0.2544474 -2.1903345 5 O -1.7911040 -0.2615745 -0.1244317 -0.3449207 -2.0582785 -0.2890700 -0.1037650 -0.1946713 -1.6038487 6 O -1.7911040 0.2615745 -0.1244317 0.3449207 -2.0582785 0.2890700 -0.1037650 0.1946713 -1.6038487 7 O -1.7911040 -0.2615745 -0.1244317 -0.3449207 -2.0582785 -0.2890700 -0.1037650 -0.1946713 -1.6038487 8 O -2.3339244 0.1218442 0.0270121 0.1579018 -1.5865459 0.0216345 -0.0413521 0.0148350 -1.4646025 9 O -2.3339244 -0.1218442 0.0270121 -0.1579018 -1.5865459 -0.0216345 -0.0413521 -0.0148350 -1.4646025 10 O -2.3339244 0.1218442 0.0270121 0.1579018 -1.5865459 0.0216345 -0.0413521 0.0148350 -1.4646025 11 O -2.3339244 -0.1218442 0.0270121 -0.1579018 -1.5865459 -0.0216345 -0.0413521 -0.0148350 -1.4646025 12 O -1.5775321 0.0752701 0.2273782 0.0223219 -1.6489945 -0.2119211 0.3118892 -0.2544474 -2.1903345 13 O -1.5775321 -0.0752701 0.2273782 -0.0223219 -1.6489945 0.2119211 0.3118892 0.2544474 -2.1903345 14 O -1.5775321 0.0752701 0.2273782 0.0223219 -1.6489945 -0.2119211 0.3118892 -0.2544474 -2.1903345 15 Si 2.6162855 -0.0801571 0.0604742 -0.0478404 2.7815320 -0.1403801 0.0492828 -0.1439576 2.8232625 16 Si 2.6162855 0.0801571 0.0604742 0.0478404 2.7815320 0.1403801 0.0492828 0.1439576 2.8232625 17 Si 2.6162855 -0.0801571 0.0604742 -0.0478404 2.7815320 -0.1403801 0.0492828 -0.1439576 2.8232625 18 Si 2.6162855 0.0801571 0.0604742 0.0478404 2.7815320 0.1403801 0.0492828 0.1439576 2.8232625 19 Rb 1.3024734 0.1057982 0.0293615 0.1073811 1.2348051 0.0646771 0.0473764 0.0597755 1.1376013 20 Rb 1.3024734 -0.1057982 0.0293615 -0.1073811 1.2348051 -0.0646771 0.0473764 -0.0597755 1.1376013 21 Rb 1.3024734 0.1057982 0.0293615 0.1073811 1.2348051 0.0646771 0.0473764 0.0597755 1.1376013 22 Rb 1.1485721 -0.0386427 0.0435495 -0.0513886 1.3487712 0.0006816 0.0402085 -0.0018030 1.1963099 23 Rb 1.1485721 0.0386427 0.0435495 0.0513886 1.3487712 -0.0006816 0.0402085 0.0018030 1.1963099 24 Rb 1.1485721 -0.0386427 0.0435495 -0.0513886 1.3487712 0.0006816 0.0402085 -0.0018030 1.1963099 25 Rb 1.1485721 0.0386427 0.0435495 0.0513886 1.3487712 -0.0006816 0.0402085 0.0018030 1.1963099 26 Rb 1.2384872 -0.1056934 -0.0893055 -0.1154622 1.1584491 0.0755582 -0.1166434 0.0794085 1.2125764 27 Rb 1.2384872 0.1056934 -0.0893055 0.1154622 1.1584491 -0.0755582 -0.1166434 -0.0794085 1.2125764 28 Rb 1.2384872 -0.1056934 -0.0893055 -0.1154622 1.1584491 0.0755582 -0.1166434 0.0794085 1.2125764 29 Rb 1.2384872 0.1056934 -0.0893055 0.1154622 1.1584491 -0.0755582 -0.1166434 -0.0794085 1.2125764 30 Rb 1.3024734 -0.1057982 0.0293615 -0.1073811 1.2348051 -0.0646771 0.0473764 -0.0597755 1.1376013 ---------------------------------------------------------------------------- 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Computing fc3[ 5, 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Computing fc3[ 13, 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Computing fc3[ 29, 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Computing fc3[ 57, 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Computing fc3[ 73, 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Computing fc3[ 101, 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:37:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:37:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.767854440445684 0.000000000000000 0.000000000000000 b 0.000000000000000 9.224733370000001 0.000000000000000 c -6.574624204135707 0.000000000000000 9.254393723039213 Atomic positions (fractional): 1 O 0.50507195394461 0.72230120082052 0.43528672285111 15.999 2 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 3 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 4 O 0.73258786917943 0.07863507194785 0.77947847460357 15.999 5 O 0.49492804605539 0.22230120082052 0.06471327714889 15.999 6 O 0.49492804605539 0.27769879917948 0.56471327714889 15.999 7 O 0.50507195394461 0.77769879917948 0.93528672285111 15.999 8 O 0.91165604161658 0.34329917538696 0.12615491068138 15.999 9 O 0.08834395838341 0.84329917538696 0.37384508931862 15.999 10 O 0.08834395838341 0.65670082461304 0.87384508931862 15.999 11 O 0.91165604161658 0.15670082461304 0.62615491068138 15.999 12 O 0.73258786917943 0.42136492805215 0.27947847460357 15.999 13 O 0.26741213082057 0.92136492805215 0.22052152539643 15.999 14 O 0.26741213082057 0.57863507194785 0.72052152539643 15.999 15 Si 0.66744660516419 0.36766319374498 0.12290035244359 28.085 16 Si 0.66744660516419 0.13233680625502 0.62290035244359 28.085 17 Si 0.33255339483581 0.63233680625502 0.87709964755641 28.085 18 Si 0.33255339483581 0.86766319374498 0.37709964755641 28.085 19 Rb 0.97838571066236 0.64765120414998 0.09141949264524 85.468 20 Rb 0.97838571066236 0.85234879585002 0.59141949264524 85.468 21 Rb 0.02161428933764 0.35234879585002 0.90858050735476 85.468 22 Rb 0.79268260927625 0.02683205000266 0.04465556837115 85.468 23 Rb 0.20731739072375 0.52683205000265 0.45534443162885 85.468 24 Rb 0.20731739072375 0.97316794999735 0.95534443162885 85.468 25 Rb 0.79268260927625 0.47316794999735 0.54465556837115 85.468 26 Rb 0.60799583504288 0.72162645943415 0.22382608065680 85.468 27 Rb 0.39200416495712 0.22162645943415 0.27617391934321 85.468 28 Rb 0.39200416495712 0.27837354056585 0.77617391934321 85.468 29 Rb 0.60799583504288 0.77837354056585 0.72382608065679 85.468 30 Rb 0.02161428933764 0.14765120414998 0.40858050735476 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.535708880891368 0.000000000000000 0.000000000000000 b 0.000000000000000 18.449466740000002 0.000000000000000 c -6.574624204135707 0.000000000000000 9.254393723039213 Atomic positions (fractional): 1 O 0.25253597697231 0.36115060041026 0.43528672285111 15.999 > 1 2 O 0.75253597697231 0.36115060041026 0.43528672285111 15.999 > 1 3 O 0.25253597697231 0.86115060041026 0.43528672285111 15.999 > 1 4 O 0.75253597697231 0.86115060041026 0.43528672285111 15.999 > 1 5 O 0.25000000000000 0.00000000000000 0.50000000000000 15.999 > 5 6 O 0.75000000000000 0.00000000000000 0.50000000000000 15.999 > 5 7 O 0.25000000000000 0.50000000000000 0.50000000000000 15.999 > 5 8 O 0.75000000000000 0.50000000000000 0.50000000000000 15.999 > 5 9 O 0.25000000000000 0.25000000000000 0.00000000000000 15.999 > 9 10 O 0.75000000000000 0.25000000000000 0.00000000000000 15.999 > 9 11 O 0.25000000000000 0.75000000000000 0.00000000000000 15.999 > 9 12 O 0.75000000000000 0.75000000000000 0.00000000000000 15.999 > 9 13 O 0.36629393458972 0.03931753597393 0.77947847460357 15.999 > 13 14 O 0.86629393458972 0.03931753597393 0.77947847460357 15.999 > 13 15 O 0.36629393458972 0.53931753597393 0.77947847460357 15.999 > 13 16 O 0.86629393458972 0.53931753597393 0.77947847460357 15.999 > 13 17 O 0.24746402302769 0.11115060041026 0.06471327714889 15.999 > 17 18 O 0.74746402302769 0.11115060041026 0.06471327714889 15.999 > 17 19 O 0.24746402302769 0.61115060041026 0.06471327714889 15.999 > 17 20 O 0.74746402302769 0.61115060041026 0.06471327714889 15.999 > 17 21 O 0.24746402302769 0.13884939958974 0.56471327714889 15.999 > 21 22 O 0.74746402302769 0.13884939958974 0.56471327714889 15.999 > 21 23 O 0.24746402302769 0.63884939958974 0.56471327714889 15.999 > 21 24 O 0.74746402302769 0.63884939958974 0.56471327714889 15.999 > 21 25 O 0.25253597697231 0.38884939958974 0.93528672285111 15.999 > 25 26 O 0.75253597697231 0.38884939958974 0.93528672285111 15.999 > 25 27 O 0.25253597697231 0.88884939958974 0.93528672285111 15.999 > 25 28 O 0.75253597697231 0.88884939958974 0.93528672285111 15.999 > 25 29 O 0.45582802080829 0.17164958769348 0.12615491068138 15.999 > 29 30 O 0.95582802080829 0.17164958769348 0.12615491068138 15.999 > 29 31 O 0.45582802080829 0.67164958769348 0.12615491068138 15.999 > 29 32 O 0.95582802080829 0.67164958769348 0.12615491068138 15.999 > 29 33 O 0.04417197919171 0.42164958769348 0.37384508931862 15.999 > 33 34 O 0.54417197919171 0.42164958769348 0.37384508931862 15.999 > 33 35 O 0.04417197919171 0.92164958769348 0.37384508931862 15.999 > 33 36 O 0.54417197919171 0.92164958769348 0.37384508931862 15.999 > 33 37 O 0.04417197919171 0.32835041230652 0.87384508931862 15.999 > 37 38 O 0.54417197919171 0.32835041230652 0.87384508931862 15.999 > 37 39 O 0.04417197919171 0.82835041230652 0.87384508931862 15.999 > 37 40 O 0.54417197919171 0.82835041230652 0.87384508931862 15.999 > 37 41 O 0.45582802080829 0.07835041230652 0.62615491068138 15.999 > 41 42 O 0.95582802080829 0.07835041230652 0.62615491068138 15.999 > 41 43 O 0.45582802080829 0.57835041230652 0.62615491068138 15.999 > 41 44 O 0.95582802080829 0.57835041230652 0.62615491068138 15.999 > 41 45 O 0.36629393458972 0.21068246402607 0.27947847460357 15.999 > 45 46 O 0.86629393458972 0.21068246402607 0.27947847460357 15.999 > 45 47 O 0.36629393458972 0.71068246402607 0.27947847460357 15.999 > 45 48 O 0.86629393458972 0.71068246402607 0.27947847460357 15.999 > 45 49 O 0.13370606541028 0.46068246402607 0.22052152539643 15.999 > 49 50 O 0.63370606541028 0.46068246402607 0.22052152539643 15.999 > 49 51 O 0.13370606541028 0.96068246402607 0.22052152539643 15.999 > 49 52 O 0.63370606541028 0.96068246402607 0.22052152539643 15.999 > 49 53 O 0.13370606541028 0.28931753597393 0.72052152539643 15.999 > 53 54 O 0.63370606541028 0.28931753597393 0.72052152539643 15.999 > 53 55 O 0.13370606541028 0.78931753597393 0.72052152539643 15.999 > 53 56 O 0.63370606541028 0.78931753597393 0.72052152539643 15.999 > 53 57 Si 0.33372330258209 0.18383159687249 0.12290035244359 28.085 > 57 58 Si 0.83372330258209 0.18383159687249 0.12290035244359 28.085 > 57 59 Si 0.33372330258209 0.68383159687249 0.12290035244359 28.085 > 57 60 Si 0.83372330258209 0.68383159687249 0.12290035244359 28.085 > 57 61 Si 0.33372330258209 0.06616840312751 0.62290035244359 28.085 > 61 62 Si 0.83372330258209 0.06616840312751 0.62290035244359 28.085 > 61 63 Si 0.33372330258209 0.56616840312751 0.62290035244359 28.085 > 61 64 Si 0.83372330258209 0.56616840312751 0.62290035244359 28.085 > 61 65 Si 0.16627669741791 0.31616840312751 0.87709964755641 28.085 > 65 66 Si 0.66627669741791 0.31616840312751 0.87709964755641 28.085 > 65 67 Si 0.16627669741791 0.81616840312751 0.87709964755641 28.085 > 65 68 Si 0.66627669741791 0.81616840312751 0.87709964755641 28.085 > 65 69 Si 0.16627669741791 0.43383159687249 0.37709964755641 28.085 > 69 70 Si 0.66627669741791 0.43383159687249 0.37709964755641 28.085 > 69 71 Si 0.16627669741791 0.93383159687249 0.37709964755641 28.085 > 69 72 Si 0.66627669741791 0.93383159687249 0.37709964755641 28.085 > 69 73 Rb 0.48919285533118 0.32382560207499 0.09141949264524 85.468 > 73 74 Rb 0.98919285533118 0.32382560207499 0.09141949264524 85.468 > 73 75 Rb 0.48919285533118 0.82382560207499 0.09141949264524 85.468 > 73 76 Rb 0.98919285533118 0.82382560207499 0.09141949264524 85.468 > 73 77 Rb 0.48919285533118 0.42617439792501 0.59141949264524 85.468 > 77 78 Rb 0.98919285533118 0.42617439792501 0.59141949264524 85.468 > 77 79 Rb 0.48919285533118 0.92617439792501 0.59141949264524 85.468 > 77 80 Rb 0.98919285533118 0.92617439792501 0.59141949264524 85.468 > 77 81 Rb 0.01080714466882 0.17617439792501 0.90858050735476 85.468 > 81 82 Rb 0.51080714466882 0.17617439792501 0.90858050735476 85.468 > 81 83 Rb 0.01080714466882 0.67617439792501 0.90858050735476 85.468 > 81 84 Rb 0.51080714466882 0.67617439792501 0.90858050735476 85.468 > 81 85 Rb 0.39634130463813 0.01341602500133 0.04465556837115 85.468 > 85 86 Rb 0.89634130463813 0.01341602500133 0.04465556837115 85.468 > 85 87 Rb 0.39634130463813 0.51341602500133 0.04465556837115 85.468 > 85 88 Rb 0.89634130463813 0.51341602500133 0.04465556837115 85.468 > 85 89 Rb 0.10365869536187 0.26341602500133 0.45534443162885 85.468 > 89 90 Rb 0.60365869536187 0.26341602500133 0.45534443162885 85.468 > 89 91 Rb 0.10365869536187 0.76341602500133 0.45534443162885 85.468 > 89 92 Rb 0.60365869536187 0.76341602500133 0.45534443162885 85.468 > 89 93 Rb 0.10365869536187 0.48658397499867 0.95534443162885 85.468 > 93 94 Rb 0.60365869536187 0.48658397499867 0.95534443162885 85.468 > 93 95 Rb 0.10365869536187 0.98658397499867 0.95534443162885 85.468 > 93 96 Rb 0.60365869536187 0.98658397499867 0.95534443162885 85.468 > 93 97 Rb 0.39634130463813 0.23658397499867 0.54465556837115 85.468 > 97 98 Rb 0.89634130463813 0.23658397499867 0.54465556837115 85.468 > 97 99 Rb 0.39634130463813 0.73658397499867 0.54465556837115 85.468 > 97 100 Rb 0.89634130463813 0.73658397499867 0.54465556837115 85.468 > 97 101 Rb 0.30399791752144 0.36081322971708 0.22382608065680 85.468 > 101 102 Rb 0.80399791752144 0.36081322971708 0.22382608065680 85.468 > 101 103 Rb 0.30399791752144 0.86081322971708 0.22382608065680 85.468 > 101 104 Rb 0.80399791752144 0.86081322971708 0.22382608065680 85.468 > 101 105 Rb 0.19600208247856 0.11081322971708 0.27617391934321 85.468 > 105 106 Rb 0.69600208247856 0.11081322971708 0.27617391934321 85.468 > 105 107 Rb 0.19600208247856 0.61081322971708 0.27617391934321 85.468 > 105 108 Rb 0.69600208247856 0.61081322971708 0.27617391934321 85.468 > 105 109 Rb 0.19600208247856 0.13918677028292 0.77617391934321 85.468 > 109 110 Rb 0.69600208247856 0.13918677028292 0.77617391934321 85.468 > 109 111 Rb 0.19600208247856 0.63918677028292 0.77617391934321 85.468 > 109 112 Rb 0.69600208247856 0.63918677028292 0.77617391934321 85.468 > 109 113 Rb 0.30399791752144 0.38918677028292 0.72382608065679 85.468 > 113 114 Rb 0.80399791752144 0.38918677028292 0.72382608065679 85.468 > 113 115 Rb 0.30399791752144 0.88918677028292 0.72382608065679 85.468 > 113 116 Rb 0.80399791752144 0.88918677028292 0.72382608065679 85.468 > 113 117 Rb 0.01080714466882 0.07382560207499 0.40858050735476 85.468 > 117 118 Rb 0.51080714466882 0.07382560207499 0.40858050735476 85.468 > 117 119 Rb 0.01080714466882 0.57382560207499 0.40858050735476 85.468 > 117 120 Rb 0.51080714466882 0.57382560207499 0.40858050735476 85.468 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7638417 0.0000000 0.0080562 0.0000000 2.7781842 0.0000000 0.0080554 0.0000000 2.7638488 -------------------------- Born effective charges -------------------------- 1 O -1.7911040 0.2615745 -0.1244317 0.3449207 -2.0582785 0.2890700 -0.1037650 0.1946713 -1.6038487 2 O -1.2065155 -0.3377449 -0.3480766 -0.3016045 -2.4594768 -1.0709567 -0.3739927 -1.0435037 -2.2219289 3 O -1.2065155 0.3377449 -0.3480766 0.3016045 -2.4594768 1.0709567 -0.3739927 1.0435037 -2.2219289 4 O -1.5775321 -0.0752701 0.2273782 -0.0223219 -1.6489945 0.2119211 0.3118892 0.2544474 -2.1903345 5 O -1.7911040 -0.2615745 -0.1244317 -0.3449207 -2.0582785 -0.2890700 -0.1037650 -0.1946713 -1.6038487 6 O -1.7911040 0.2615745 -0.1244317 0.3449207 -2.0582785 0.2890700 -0.1037650 0.1946713 -1.6038487 7 O -1.7911040 -0.2615745 -0.1244317 -0.3449207 -2.0582785 -0.2890700 -0.1037650 -0.1946713 -1.6038487 8 O -2.3339244 0.1218442 0.0270121 0.1579018 -1.5865459 0.0216345 -0.0413521 0.0148350 -1.4646025 9 O -2.3339244 -0.1218442 0.0270121 -0.1579018 -1.5865459 -0.0216345 -0.0413521 -0.0148350 -1.4646025 10 O -2.3339244 0.1218442 0.0270121 0.1579018 -1.5865459 0.0216345 -0.0413521 0.0148350 -1.4646025 11 O -2.3339244 -0.1218442 0.0270121 -0.1579018 -1.5865459 -0.0216345 -0.0413521 -0.0148350 -1.4646025 12 O -1.5775321 0.0752701 0.2273782 0.0223219 -1.6489945 -0.2119211 0.3118892 -0.2544474 -2.1903345 13 O -1.5775321 -0.0752701 0.2273782 -0.0223219 -1.6489945 0.2119211 0.3118892 0.2544474 -2.1903345 14 O -1.5775321 0.0752701 0.2273782 0.0223219 -1.6489945 -0.2119211 0.3118892 -0.2544474 -2.1903345 15 Si 2.6162855 -0.0801571 0.0604742 -0.0478404 2.7815320 -0.1403801 0.0492828 -0.1439576 2.8232625 16 Si 2.6162855 0.0801571 0.0604742 0.0478404 2.7815320 0.1403801 0.0492828 0.1439576 2.8232625 17 Si 2.6162855 -0.0801571 0.0604742 -0.0478404 2.7815320 -0.1403801 0.0492828 -0.1439576 2.8232625 18 Si 2.6162855 0.0801571 0.0604742 0.0478404 2.7815320 0.1403801 0.0492828 0.1439576 2.8232625 19 Rb 1.3024734 0.1057982 0.0293615 0.1073811 1.2348051 0.0646771 0.0473764 0.0597755 1.1376013 20 Rb 1.3024734 -0.1057982 0.0293615 -0.1073811 1.2348051 -0.0646771 0.0473764 -0.0597755 1.1376013 21 Rb 1.3024734 0.1057982 0.0293615 0.1073811 1.2348051 0.0646771 0.0473764 0.0597755 1.1376013 22 Rb 1.1485721 -0.0386427 0.0435495 -0.0513886 1.3487712 0.0006816 0.0402085 -0.0018030 1.1963099 23 Rb 1.1485721 0.0386427 0.0435495 0.0513886 1.3487712 -0.0006816 0.0402085 0.0018030 1.1963099 24 Rb 1.1485721 -0.0386427 0.0435495 -0.0513886 1.3487712 0.0006816 0.0402085 -0.0018030 1.1963099 25 Rb 1.1485721 0.0386427 0.0435495 0.0513886 1.3487712 -0.0006816 0.0402085 0.0018030 1.1963099 26 Rb 1.2384872 -0.1056934 -0.0893055 -0.1154622 1.1584491 0.0755582 -0.1166434 0.0794085 1.2125764 27 Rb 1.2384872 0.1056934 -0.0893055 0.1154622 1.1584491 -0.0755582 -0.1166434 -0.0794085 1.2125764 28 Rb 1.2384872 -0.1056934 -0.0893055 -0.1154622 1.1584491 0.0755582 -0.1166434 0.0794085 1.2125764 29 Rb 1.2384872 0.1056934 -0.0893055 0.1154622 1.1584491 -0.0755582 -0.1166434 -0.0794085 1.2125764 30 Rb 1.3024734 -0.1057982 0.0293615 -0.1073811 1.2348051 -0.0646771 0.0473764 -0.0597755 1.1376013 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 9 5 5 ] 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: 0.50, Number of G-points: 307, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/69) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.145 ( 0.000 0.000 0.000) 0.000 1.496 ( 0.000 0.000 0.000) 0.000 1.603 ( 0.000 0.000 0.000) 0.000 1.667 ( 0.000 0.000 0.000) 0.000 1.768 ( 0.000 0.000 0.000) 0.000 1.772 ( 0.000 0.000 0.000) 0.000 1.869 ( 0.000 0.000 0.000) 0.000 1.906 ( 0.000 0.000 0.000) 0.000 2.070 ( 0.000 0.000 0.000) 0.000 2.203 ( 0.000 0.000 0.000) 0.000 2.204 ( 0.000 0.000 0.000) 0.000 2.250 ( 0.000 0.000 0.000) 0.000 2.321 ( 0.000 0.000 0.000) 0.000 2.344 ( 0.000 0.000 0.000) 0.000 2.372 ( 0.000 0.000 0.000) 0.000 2.433 ( 0.000 0.000 0.000) 0.000 2.485 ( 0.000 0.000 0.000) 0.000 2.525 ( 0.000 0.000 0.000) 0.000 2.620 ( 0.000 0.000 0.000) 0.000 2.643 ( 0.000 0.000 0.000) 0.000 2.690 ( 0.000 0.000 0.000) 0.000 2.763 ( 0.000 0.000 0.000) 0.000 2.792 ( 0.000 0.000 0.000) 0.000 2.825 ( 0.000 0.000 0.000) 0.000 2.882 ( 0.000 0.000 0.000) 0.000 2.978 ( 0.000 0.000 0.000) 0.000 3.098 ( 0.000 0.000 0.000) 0.000 3.160 ( 0.000 0.000 0.000) 0.000 3.184 ( 0.000 0.000 0.000) 0.000 3.230 ( 0.000 0.000 0.000) 0.000 3.413 ( 0.000 0.000 0.000) 0.000 3.425 ( 0.000 0.000 0.000) 0.000 3.432 ( 0.000 0.000 0.000) 0.000 3.489 ( 0.000 0.000 0.000) 0.000 3.854 ( 0.000 0.000 0.000) 0.000 3.861 ( 0.000 0.000 0.000) 0.000 4.008 ( 0.000 0.000 0.000) 0.000 4.046 ( 0.000 0.000 0.000) 0.000 4.064 ( 0.000 0.000 0.000) 0.000 4.096 ( 0.000 0.000 0.000) 0.000 4.447 ( 0.000 0.000 0.000) 0.000 4.668 ( 0.000 0.000 0.000) 0.000 4.692 ( 0.000 0.000 0.000) 0.000 4.711 ( 0.000 0.000 0.000) 0.000 4.874 ( 0.000 0.000 0.000) 0.000 4.957 ( 0.000 0.000 0.000) 0.000 5.025 ( 0.000 0.000 0.000) 0.000 5.583 ( 0.000 0.000 0.000) 0.000 5.612 ( 0.000 0.000 0.000) 0.000 5.730 ( 0.000 0.000 0.000) 0.000 5.873 ( 0.000 0.000 0.000) 0.000 8.108 ( 0.000 0.000 0.000) 0.000 8.321 ( 0.000 0.000 0.000) 0.000 8.392 ( 0.000 0.000 0.000) 0.000 8.749 ( 0.000 0.000 0.000) 0.000 8.910 ( 0.000 0.000 0.000) 0.000 9.111 ( 0.000 0.000 0.000) 0.000 10.020 ( 0.000 0.000 0.000) 0.000 10.022 ( 0.000 0.000 0.000) 0.000 10.273 ( 0.000 0.000 0.000) 0.000 10.426 ( 0.000 0.000 0.000) 0.000 12.855 ( 0.000 0.000 0.000) 0.000 12.926 ( 0.000 0.000 0.000) 0.000 13.290 ( 0.000 0.000 0.000) 0.000 13.357 ( 0.000 0.000 0.000) 0.000 13.489 ( 0.000 0.000 0.000) 0.000 13.574 ( 0.000 0.000 0.000) 0.000 13.708 ( 0.000 0.000 0.000) 0.000 13.917 ( 0.000 0.000 0.000) 0.000 14.156 ( 0.000 0.000 0.000) 0.000 14.240 ( 0.000 0.000 0.000) 0.000 17.224 ( 0.000 0.000 0.000) 0.000 17.494 ( 0.000 0.000 0.000) 0.000 23.230 ( 0.000 0.000 0.000) 0.000 23.234 ( 0.000 0.000 0.000) 0.000 25.004 ( 0.000 0.000 0.000) 0.000 25.030 ( 0.000 0.000 0.000) 0.000 26.331 ( 0.000 0.000 0.000) 0.000 26.401 ( 0.000 0.000 0.000) 0.000 26.423 ( 0.000 0.000 0.000) 0.000 26.471 ( 0.000 0.000 0.000) 0.000 26.634 ( 0.000 0.000 0.000) 0.000 26.698 ( 0.000 0.000 0.000) 0.000 26.811 ( 0.000 0.000 0.000) 0.000 27.401 ( 0.000 0.000 0.000) 0.000 27.413 ( 0.000 0.000 0.000) 0.000 27.591 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/69) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( 14.929 0.000 11.720) 18.980 0.479 ( 18.244 0.000 13.214) 22.527 0.767 ( 31.160 0.000 20.661) 37.387 1.168 ( 0.399 0.000 3.192) 3.217 1.480 ( -0.232 0.000 -2.006) 2.019 1.568 ( -2.567 0.000 0.908) 2.723 1.625 ( -3.079 0.000 -2.088) 3.720 1.724 ( 0.032 0.000 -2.280) 2.280 1.766 ( 3.046 0.000 -2.844) 4.167 1.956 ( 4.829 0.000 3.323) 5.861 1.975 ( 5.303 0.000 -0.387) 5.317 2.052 ( 0.175 0.000 -4.346) 4.349 2.211 ( -2.760 0.000 -0.322) 2.779 2.229 ( 4.364 0.000 -5.358) 6.910 2.246 ( -0.888 0.000 -2.938) 3.069 2.276 ( 1.971 0.000 4.721) 5.116 2.378 ( 0.454 0.000 -4.370) 4.393 2.381 ( 3.171 0.000 2.066) 3.785 2.479 ( 0.037 0.000 3.863) 3.863 2.481 ( -1.180 0.000 -0.727) 1.386 2.513 ( -0.849 0.000 2.633) 2.767 2.622 ( 0.432 0.000 0.355) 0.559 2.648 ( -4.958 0.000 7.071) 8.636 2.689 ( -5.306 0.000 -4.002) 6.646 2.753 ( -0.266 0.000 -1.164) 1.194 2.855 ( 5.012 0.000 4.963) 7.053 2.866 ( -1.137 0.000 -0.818) 1.400 2.928 ( 4.409 0.000 1.543) 4.671 2.972 ( -1.303 0.000 0.387) 1.360 3.089 ( -1.045 0.000 0.387) 1.115 3.102 ( -0.984 0.000 -3.799) 3.924 3.231 ( -1.865 0.000 2.946) 3.487 3.243 ( 4.546 0.000 -1.202) 4.702 3.396 ( -5.830 0.000 0.305) 5.838 3.449 ( -0.517 0.000 2.754) 2.802 3.465 ( 1.737 0.000 -4.723) 5.033 3.559 ( -6.938 0.000 6.005) 9.176 3.784 ( -5.203 0.000 -2.740) 5.881 3.873 ( 3.085 0.000 -2.733) 4.121 3.953 ( -0.643 0.000 -6.887) 6.917 4.044 ( 1.085 0.000 2.291) 2.535 4.108 ( -4.302 0.000 5.046) 6.631 4.151 ( -1.214 0.000 8.790) 8.873 4.484 ( 0.174 0.000 3.892) 3.896 4.618 ( -4.237 0.000 -3.161) 5.286 4.715 ( 0.396 0.000 -0.108) 0.411 4.845 ( 0.572 0.000 -1.734) 1.826 4.852 ( -5.471 0.000 -1.722) 5.736 4.965 ( 0.305 0.000 -0.493) 0.580 5.592 ( 0.181 0.000 -3.459) 3.463 5.617 ( 0.497 0.000 3.951) 3.982 5.708 ( 4.865 0.000 -6.293) 7.954 5.872 ( 0.121 0.000 0.146) 0.190 6.322 ( -3.908 0.000 -9.511) 10.283 8.177 ( 1.905 0.000 8.194) 8.413 8.336 ( 0.821 0.000 0.507) 0.965 8.408 ( 1.176 0.000 0.157) 1.187 8.760 ( 0.797 0.000 1.369) 1.584 8.887 ( -1.789 0.000 0.191) 1.800 9.030 ( -5.709 0.000 -4.658) 7.368 10.061 ( 3.913 0.000 -3.528) 5.269 10.085 ( 6.282 0.000 0.588) 6.310 10.278 ( 1.007 0.000 -0.433) 1.096 10.421 ( 0.411 0.000 -1.296) 1.360 12.879 ( 1.097 0.000 2.301) 2.549 12.913 ( -0.849 0.000 -0.573) 1.024 13.274 ( -1.808 0.000 -0.140) 1.814 13.359 ( -0.745 0.000 1.573) 1.741 13.611 ( 2.051 0.000 2.899) 3.551 13.650 ( -5.114 0.000 5.781) 7.718 13.891 ( -1.553 0.000 -2.125) 2.632 14.090 ( -6.313 0.000 6.548) 9.096 14.162 ( -0.235 0.000 1.148) 1.172 14.223 ( 0.156 0.000 -7.087) 7.089 17.240 ( 0.450 0.000 2.047) 2.096 17.471 ( -1.961 0.000 -0.941) 2.175 23.236 ( -0.589 0.000 1.032) 1.188 23.386 ( -9.382 0.000 8.761) 12.836 25.024 ( 1.356 0.000 1.177) 1.796 25.025 ( -0.136 0.000 -0.529) 0.547 26.403 ( -0.676 0.000 -0.120) 0.686 26.442 ( 2.980 0.000 2.554) 3.925 26.514 ( 4.259 0.000 -2.013) 4.711 26.639 ( 1.397 0.000 -1.029) 1.735 26.683 ( 17.212 0.000 -22.296) 28.166 26.745 ( 5.128 0.000 1.054) 5.235 27.082 ( -3.101 0.000 2.706) 4.116 27.348 ( -1.085 0.000 -5.869) 5.969 27.610 ( -4.255 0.000 8.150) 9.194 28.159 ( -12.292 0.000 9.766) 15.699 ======================= Grid point 2 (3/69) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 14.332 0.000 11.098) 18.127 0.879 ( 13.626 0.000 9.179) 16.429 1.236 ( 3.783 0.000 3.234) 4.977 1.433 ( 13.066 0.000 3.344) 13.487 1.469 ( 9.265 0.000 7.506) 11.924 1.574 ( -0.695 0.000 4.373) 4.428 1.584 ( 1.908 0.000 -2.732) 3.332 1.766 ( 9.496 0.000 3.066) 9.978 1.810 ( 5.128 0.000 -1.467) 5.334 1.968 ( -1.538 0.000 -5.492) 5.704 2.041 ( 3.094 0.000 -2.070) 3.722 2.082 ( 5.785 0.000 1.760) 6.047 2.097 ( -4.384 0.000 -4.870) 6.552 2.175 ( -3.001 0.000 -6.516) 7.174 2.210 ( 0.892 0.000 -3.912) 4.013 2.346 ( -0.956 0.000 2.328) 2.517 2.356 ( -0.668 0.000 1.463) 1.608 2.459 ( 2.007 0.000 0.618) 2.100 2.468 ( 0.050 0.000 -2.818) 2.819 2.492 ( 2.329 0.000 3.511) 4.213 2.492 ( -7.379 0.000 -2.103) 7.673 2.601 ( 2.780 0.000 2.999) 4.089 2.674 ( 1.897 0.000 5.723) 6.029 2.674 ( -1.941 0.000 -0.458) 1.994 2.726 ( -1.453 0.000 1.567) 2.137 2.839 ( -0.523 0.000 -0.465) 0.699 2.930 ( -2.293 0.000 -2.200) 3.178 2.969 ( -0.376 0.000 -2.101) 2.134 3.007 ( 5.303 0.000 4.357) 6.863 3.063 ( 1.171 0.000 -2.658) 2.904 3.096 ( -0.353 0.000 2.922) 2.943 3.239 ( -11.421 0.000 -0.993) 11.464 3.276 ( 2.320 0.000 -3.910) 4.547 3.281 ( 1.841 0.000 4.672) 5.021 3.420 ( -7.129 0.000 2.839) 7.673 3.457 ( 4.378 0.000 -5.129) 6.743 3.525 ( -1.555 0.000 0.872) 1.783 3.672 ( -4.208 0.000 -1.967) 4.645 3.877 ( 0.727 0.000 -6.366) 6.407 3.890 ( 2.604 0.000 -2.776) 3.806 4.084 ( -2.128 0.000 3.994) 4.525 4.118 ( 0.504 0.000 3.705) 3.739 4.202 ( -6.723 0.000 9.220) 11.411 4.428 ( -6.510 0.000 -2.193) 6.869 4.577 ( 0.656 0.000 1.724) 1.844 4.681 ( -3.313 0.000 -4.132) 5.296 4.779 ( 0.070 0.000 1.613) 1.614 4.854 ( 0.559 0.000 -0.147) 0.578 4.965 ( 3.090 0.000 -3.110) 4.384 5.546 ( 0.140 0.000 -4.301) 4.303 5.663 ( -0.879 0.000 3.743) 3.845 5.713 ( 1.155 0.000 -1.333) 1.764 5.893 ( 1.046 0.000 2.248) 2.479 6.088 ( -9.069 0.000 -11.361) 14.537 8.327 ( 1.722 0.000 10.816) 10.953 8.328 ( -1.746 0.000 -1.566) 2.345 8.412 ( 0.213 0.000 -1.700) 1.713 8.824 ( 2.870 0.000 4.630) 5.447 8.850 ( -6.346 0.000 -5.013) 8.087 8.906 ( 1.181 0.000 2.580) 2.837 10.070 ( 2.923 0.000 -5.472) 6.204 10.183 ( 5.664 0.000 -2.899) 6.363 10.310 ( 2.636 0.000 1.760) 3.170 10.425 ( 1.612 0.000 -0.273) 1.635 12.898 ( -0.547 0.000 0.340) 0.644 12.939 ( 1.650 0.000 3.894) 4.229 13.232 ( -2.778 0.000 -0.482) 2.819 13.371 ( -0.626 0.000 2.339) 2.421 13.629 ( -2.732 0.000 1.675) 3.205 13.684 ( 1.270 0.000 3.317) 3.552 13.822 ( -2.187 0.000 -3.513) 4.138 14.019 ( -4.720 0.000 -3.688) 5.990 14.156 ( -0.088 0.000 -2.980) 2.981 14.166 ( -1.003 0.000 0.918) 1.360 17.279 ( 0.573 0.000 2.824) 2.882 17.415 ( -2.830 0.000 -1.594) 3.248 23.237 ( -1.054 0.000 1.398) 1.751 23.324 ( -5.972 0.000 2.765) 6.581 25.017 ( 0.117 0.000 -0.602) 0.613 25.065 ( 1.459 0.000 1.534) 2.118 26.407 ( 1.760 0.000 -1.005) 2.026 26.541 ( 2.118 0.000 -2.100) 2.982 26.545 ( 3.899 0.000 4.366) 5.854 26.656 ( 2.367 0.000 -1.223) 2.665 26.714 ( 10.035 0.000 -10.561) 14.568 26.870 ( 8.073 0.000 -0.613) 8.097 27.056 ( -2.554 0.000 0.957) 2.728 27.266 ( -0.875 0.000 -4.141) 4.233 27.629 ( -5.926 0.000 9.864) 11.507 28.038 ( -10.214 0.000 1.820) 10.374 ======================= Grid point 3 (4/69) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 12.048 0.000 8.901) 14.979 1.126 ( 6.396 0.000 5.782) 8.622 1.373 ( 9.635 0.000 0.346) 9.641 1.441 ( -2.700 0.000 3.312) 4.274 1.541 ( 2.605 0.000 -7.573) 8.008 1.644 ( 2.263 0.000 5.597) 6.037 1.725 ( 7.715 0.000 1.871) 7.939 1.861 ( 1.659 0.000 -3.790) 4.137 1.881 ( -3.821 0.000 -9.395) 10.142 1.898 ( -1.560 0.000 1.175) 1.953 2.018 ( -1.357 0.000 -5.955) 6.107 2.097 ( 5.136 0.000 -0.008) 5.136 2.168 ( 0.499 0.000 -4.949) 4.974 2.188 ( 2.480 0.000 2.272) 3.363 2.236 ( 1.152 0.000 4.487) 4.633 2.265 ( 4.066 0.000 1.829) 4.458 2.328 ( -2.647 0.000 1.495) 3.040 2.438 ( 4.551 0.000 1.271) 4.726 2.466 ( -1.154 0.000 0.452) 1.239 2.536 ( -2.877 0.000 -3.045) 4.189 2.543 ( 1.183 0.000 3.158) 3.372 2.592 ( 1.546 0.000 0.084) 1.548 2.666 ( 3.081 0.000 3.738) 4.844 2.730 ( -1.139 0.000 1.642) 1.999 2.754 ( 0.064 0.000 2.314) 2.314 2.860 ( 2.669 0.000 -0.170) 2.675 2.889 ( -6.125 0.000 -0.852) 6.184 2.912 ( 3.517 0.000 -0.327) 3.532 3.056 ( -6.955 0.000 2.208) 7.297 3.073 ( -1.018 0.000 -0.529) 1.147 3.091 ( 1.022 0.000 0.230) 1.047 3.112 ( -1.783 0.000 2.152) 2.795 3.225 ( -0.911 0.000 -5.899) 5.969 3.297 ( -3.943 0.000 -1.059) 4.083 3.387 ( 0.745 0.000 3.173) 3.260 3.487 ( 4.362 0.000 -2.883) 5.228 3.513 ( -1.951 0.000 1.803) 2.656 3.606 ( -0.882 0.000 -2.399) 2.556 3.828 ( 1.238 0.000 -4.738) 4.897 3.883 ( 0.376 0.000 -2.829) 2.854 4.093 ( -0.781 0.000 2.210) 2.344 4.116 ( -11.757 0.000 4.928) 12.748 4.175 ( 0.176 0.000 3.828) 3.832 4.359 ( -1.152 0.000 0.120) 1.158 4.582 ( -2.344 0.000 -3.131) 3.912 4.589 ( -1.092 0.000 0.329) 1.140 4.855 ( -0.777 0.000 1.318) 1.530 4.859 ( 3.884 0.000 5.339) 6.602 4.996 ( 4.868 0.000 -3.573) 6.039 5.504 ( 0.548 0.000 -3.785) 3.824 5.678 ( -0.958 0.000 1.949) 2.172 5.711 ( -0.333 0.000 -1.460) 1.497 5.786 ( -10.551 0.000 -10.413) 14.824 5.957 ( 1.738 0.000 4.179) 4.526 8.244 ( -4.315 0.000 -3.155) 5.346 8.371 ( -0.372 0.000 -2.841) 2.865 8.474 ( 0.559 0.000 8.986) 9.003 8.714 ( -2.510 0.000 -4.121) 4.825 8.943 ( 3.403 0.000 5.616) 6.567 8.998 ( 2.619 0.000 5.429) 6.028 10.029 ( 0.930 0.000 -6.195) 6.264 10.201 ( 2.480 0.000 -3.957) 4.669 10.388 ( 3.106 0.000 1.847) 3.614 10.464 ( 2.350 0.000 0.592) 2.424 12.907 ( 0.131 0.000 1.687) 1.692 13.014 ( 1.499 0.000 4.003) 4.274 13.180 ( -2.441 0.000 -0.697) 2.539 13.395 ( 0.412 0.000 2.338) 2.374 13.603 ( -1.683 0.000 0.258) 1.703 13.660 ( -4.213 0.000 -3.310) 5.358 13.800 ( 1.316 0.000 1.064) 1.692 13.884 ( -4.368 0.000 -4.931) 6.588 14.140 ( 1.083 0.000 -1.847) 2.140 14.150 ( -1.380 0.000 -0.030) 1.381 17.318 ( 0.415 0.000 2.226) 2.265 17.353 ( -2.171 0.000 -1.469) 2.622 23.233 ( -1.062 0.000 1.058) 1.499 23.265 ( -3.552 0.000 0.953) 3.678 25.016 ( 0.392 0.000 -0.326) 0.510 25.100 ( 0.815 0.000 1.155) 1.414 26.429 ( 2.523 0.000 -1.602) 2.989 26.544 ( 0.749 0.000 -1.230) 1.440 26.633 ( 1.446 0.000 2.046) 2.505 26.694 ( 2.754 0.000 0.049) 2.755 26.775 ( 8.392 0.000 -4.527) 9.535 26.943 ( 3.129 0.000 -3.114) 4.415 27.025 ( -1.933 0.000 0.242) 1.948 27.239 ( 1.040 0.000 -1.417) 1.757 27.665 ( -2.982 0.000 9.278) 9.746 27.884 ( -8.626 0.000 -0.702) 8.654 ======================= Grid point 4 (5/69) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 1.354 0.000 2.420) 2.772 1.281 ( 1.565 0.000 -0.317) 1.597 1.463 ( 2.764 0.000 5.496) 6.152 1.557 ( 12.244 0.000 0.590) 12.258 1.567 ( 4.232 0.000 0.913) 4.329 1.699 ( -6.077 0.000 -2.298) 6.497 1.729 ( 0.181 0.000 -1.243) 1.256 1.791 ( -0.235 0.000 -7.656) 7.660 1.836 ( 1.791 0.000 -1.353) 2.244 1.872 ( -7.302 0.000 5.937) 9.411 2.018 ( 6.580 0.000 1.083) 6.669 2.115 ( -0.533 0.000 -2.262) 2.324 2.115 ( -1.879 0.000 0.046) 1.880 2.148 ( -4.828 0.000 -3.129) 5.753 2.150 ( -0.013 0.000 -0.891) 0.891 2.291 ( -6.506 0.000 -3.205) 7.253 2.350 ( 1.285 0.000 3.086) 3.343 2.443 ( -0.845 0.000 -3.454) 3.555 2.451 ( -0.891 0.000 0.607) 1.078 2.511 ( 5.138 0.000 1.048) 5.244 2.640 ( 6.852 0.000 1.444) 7.003 2.688 ( -1.152 0.000 -0.482) 1.248 2.703 ( -3.180 0.000 -3.652) 4.842 2.770 ( -4.633 0.000 4.197) 6.251 2.798 ( 3.897 0.000 3.139) 5.004 2.879 ( -0.127 0.000 -1.516) 1.522 2.905 ( 9.114 0.000 7.698) 11.930 2.971 ( 4.055 0.000 -2.516) 4.773 2.999 ( -4.424 0.000 5.233) 6.853 3.065 ( -2.966 0.000 -4.168) 5.116 3.090 ( 1.143 0.000 0.947) 1.484 3.109 ( 1.303 0.000 3.829) 4.045 3.141 ( -1.220 0.000 -4.265) 4.436 3.223 ( -2.609 0.000 -2.152) 3.382 3.421 ( -0.333 0.000 0.551) 0.644 3.500 ( -1.680 0.000 1.505) 2.255 3.511 ( 0.450 0.000 0.029) 0.451 3.580 ( 1.020 0.000 -2.622) 2.814 3.814 ( 1.184 0.000 -1.188) 1.678 3.844 ( -0.775 0.000 -2.061) 2.202 4.002 ( -5.629 0.000 1.666) 5.870 4.105 ( 0.009 0.000 0.704) 0.704 4.203 ( -0.280 0.000 1.290) 1.320 4.351 ( -0.344 0.000 0.179) 0.387 4.537 ( -0.542 0.000 -0.859) 1.016 4.565 ( -0.870 0.000 -0.579) 1.045 4.859 ( -0.434 0.000 0.856) 0.960 5.005 ( 4.170 0.000 5.604) 6.986 5.028 ( 2.141 0.000 -1.282) 2.496 5.467 ( 0.043 0.000 -7.367) 7.367 5.509 ( -6.512 0.000 -2.219) 6.880 5.682 ( -0.307 0.000 0.599) 0.673 5.716 ( -0.318 0.000 0.187) 0.369 6.024 ( 0.979 0.000 2.212) 2.419 8.152 ( -2.269 0.000 -1.657) 2.810 8.339 ( -0.242 0.000 -1.282) 1.304 8.554 ( 0.082 0.000 3.427) 3.428 8.666 ( -0.244 0.000 -1.192) 1.217 9.038 ( 1.495 0.000 2.608) 3.007 9.082 ( 1.135 0.000 2.505) 2.751 9.979 ( 0.092 0.000 -2.846) 2.848 10.193 ( 0.781 0.000 -1.674) 1.847 10.437 ( 1.108 0.000 0.554) 1.238 10.500 ( 1.041 0.000 0.321) 1.089 12.930 ( 0.202 0.000 1.182) 1.199 13.068 ( 0.577 0.000 1.790) 1.881 13.145 ( -0.882 0.000 -0.298) 0.931 13.444 ( 2.177 0.000 2.594) 3.387 13.540 ( -4.029 0.000 -3.967) 5.654 13.583 ( -0.649 0.000 -0.109) 0.658 13.788 ( -1.748 0.000 -2.083) 2.720 13.831 ( 0.568 0.000 0.714) 0.912 14.130 ( -0.636 0.000 -0.201) 0.667 14.140 ( 0.584 0.000 -0.747) 0.948 17.316 ( -0.743 0.000 -0.571) 0.937 17.341 ( 0.146 0.000 0.823) 0.835 23.229 ( -0.451 0.000 0.376) 0.587 23.233 ( -1.165 0.000 0.238) 1.189 25.020 ( 0.222 0.000 -0.078) 0.235 25.118 ( 0.223 0.000 0.417) 0.472 26.447 ( 1.350 0.000 -0.845) 1.593 26.539 ( -0.048 0.000 -0.335) 0.338 26.657 ( 0.426 0.000 0.186) 0.465 26.725 ( 1.022 0.000 -0.170) 1.037 26.858 ( 3.744 0.000 -0.378) 3.763 26.934 ( 0.213 0.000 -1.510) 1.525 27.003 ( -0.737 0.000 -0.017) 0.737 27.240 ( 0.304 0.000 -0.499) 0.585 27.727 ( -0.091 0.000 3.978) 3.979 27.766 ( -3.796 0.000 -0.645) 3.850 ======================= Grid point 9 (6/69) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 0.000 22.041 0.000) 22.041 0.523 ( 0.000 23.068 0.000) 23.068 0.938 ( 0.000 40.875 0.000) 40.875 1.181 ( 0.000 3.057 0.000) 3.057 1.433 ( 0.000 -4.434 0.000) 4.434 1.571 ( 0.000 -2.423 0.000) 2.423 1.671 ( 0.000 -8.674 0.000) 8.674 1.714 ( 0.000 1.878 0.000) 1.878 1.805 ( 0.000 1.502 0.000) 1.502 1.827 ( 0.000 -1.686 0.000) 1.686 1.917 ( 0.000 0.588 0.000) 0.588 1.966 ( 0.000 -6.760 0.000) 6.760 2.164 ( 0.000 -4.458 0.000) 4.458 2.208 ( 0.000 -2.660 0.000) 2.660 2.209 ( 0.000 -1.541 0.000) 1.541 2.301 ( 0.000 -2.258 0.000) 2.258 2.302 ( 0.000 -0.486 0.000) 0.486 2.434 ( 0.000 -1.694 0.000) 1.694 2.453 ( 0.000 7.089 0.000) 7.089 2.539 ( 0.000 0.900 0.000) 0.900 2.589 ( 0.000 -2.278 0.000) 2.278 2.607 ( 0.000 7.189 0.000) 7.189 2.685 ( 0.000 -0.087 0.000) 0.087 2.697 ( 0.000 3.973 0.000) 3.973 2.765 ( 0.000 -0.130 0.000) 0.130 2.792 ( 0.000 0.819 0.000) 0.819 2.842 ( 0.000 1.676 0.000) 1.676 2.901 ( 0.000 0.249 0.000) 0.249 2.953 ( 0.000 -3.355 0.000) 3.355 3.049 ( 0.000 -9.417 0.000) 9.417 3.083 ( 0.000 -2.420 0.000) 2.420 3.195 ( 0.000 -3.754 0.000) 3.754 3.223 ( 0.000 2.731 0.000) 2.731 3.390 ( 0.000 -0.849 0.000) 0.849 3.418 ( 0.000 -1.389 0.000) 1.389 3.420 ( 0.000 -0.293 0.000) 0.293 3.557 ( 0.000 3.143 0.000) 3.143 3.788 ( 0.000 -3.760 0.000) 3.760 3.868 ( 0.000 0.903 0.000) 0.903 3.941 ( 0.000 -2.939 0.000) 2.939 4.062 ( 0.000 0.252 0.000) 0.252 4.103 ( 0.000 2.049 0.000) 2.049 4.218 ( 0.000 5.743 0.000) 5.743 4.587 ( 0.000 -7.283 0.000) 7.283 4.680 ( 0.000 -1.868 0.000) 1.868 4.719 ( 0.000 0.359 0.000) 0.359 4.732 ( 0.000 1.737 0.000) 1.737 4.854 ( 0.000 -5.116 0.000) 5.116 5.168 ( 0.000 9.276 0.000) 9.276 5.549 ( 0.000 -2.110 0.000) 2.110 5.580 ( 0.000 -0.159 0.000) 0.159 5.603 ( 0.000 -0.738 0.000) 0.738 5.780 ( 0.000 5.189 0.000) 5.189 6.614 ( 0.000 -9.958 0.000) 9.958 8.172 ( 0.000 4.751 0.000) 4.751 8.321 ( 0.000 -0.069 0.000) 0.069 8.446 ( 0.000 4.918 0.000) 4.918 8.761 ( 0.000 1.250 0.000) 1.250 8.850 ( 0.000 -5.031 0.000) 5.031 9.062 ( 0.000 -4.274 0.000) 4.274 10.030 ( 0.000 0.517 0.000) 0.517 10.034 ( 0.000 0.854 0.000) 0.854 10.282 ( 0.000 0.855 0.000) 0.855 10.409 ( 0.000 -1.539 0.000) 1.539 12.882 ( 0.000 2.152 0.000) 2.152 12.936 ( 0.000 0.805 0.000) 0.805 13.282 ( 0.000 -0.641 0.000) 0.641 13.329 ( 0.000 -2.076 0.000) 2.076 13.552 ( 0.000 5.452 0.000) 5.452 13.765 ( 0.000 4.766 0.000) 4.766 13.853 ( 0.000 -0.300 0.000) 0.300 14.113 ( 0.000 -3.610 0.000) 3.610 14.223 ( 0.000 -1.414 0.000) 1.414 14.381 ( 0.000 -5.555 0.000) 5.555 17.267 ( 0.000 3.580 0.000) 3.580 17.479 ( 0.000 -1.392 0.000) 1.392 23.265 ( 0.000 3.068 0.000) 3.068 23.528 ( 0.000 -2.569 0.000) 2.569 25.006 ( 0.000 0.146 0.000) 0.146 25.026 ( 0.000 -0.335 0.000) 0.335 26.328 ( 0.000 -0.239 0.000) 0.239 26.374 ( 0.000 -1.855 0.000) 1.855 26.480 ( 0.000 0.737 0.000) 0.737 26.517 ( 0.000 0.711 0.000) 0.711 26.652 ( 0.000 1.624 0.000) 1.624 26.799 ( 0.000 -1.181 0.000) 1.181 27.176 ( 0.000 -0.150 0.000) 0.150 27.321 ( 0.000 -5.513 0.000) 5.513 27.703 ( 0.000 7.396 0.000) 7.396 28.081 ( 0.000 -2.757 0.000) 2.757 ======================= Grid point 10 (7/69) ======================= q-point: ( 0.11 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 7.624 15.523 7.348) 18.790 0.646 ( 12.344 15.940 6.682) 21.239 1.160 ( 5.639 13.537 3.250) 15.020 1.247 ( 10.848 16.930 9.468) 22.225 1.432 ( 0.654 -2.778 0.190) 2.861 1.522 ( -2.895 -5.556 -2.610) 6.787 1.617 ( -1.762 -1.904 -1.172) 2.847 1.704 ( 0.699 0.627 -0.779) 1.220 1.814 ( 4.873 2.844 -1.419) 5.818 1.891 ( 0.868 -4.127 -1.691) 4.544 1.960 ( 4.247 -0.295 4.121) 5.925 2.021 ( 2.439 -3.531 1.548) 4.562 2.127 ( -0.153 -4.702 -3.294) 5.743 2.190 ( -0.106 -1.265 -3.035) 3.290 2.218 ( 0.594 -1.829 -2.606) 3.239 2.310 ( 2.355 -0.304 -0.751) 2.491 2.320 ( 2.836 -3.388 0.701) 4.473 2.416 ( 0.026 -1.861 3.199) 3.701 2.497 ( 0.831 3.428 -3.299) 4.830 2.526 ( -2.783 2.475 0.927) 3.838 2.533 ( -3.091 2.306 -0.669) 3.914 2.599 ( -0.974 -1.272 -0.269) 1.624 2.667 ( -1.566 2.337 2.569) 3.810 2.715 ( -1.084 1.384 -0.441) 1.813 2.759 ( 0.696 1.863 0.306) 2.013 2.838 ( -0.443 -2.215 -1.723) 2.841 2.851 ( 2.887 0.217 5.107) 5.870 2.924 ( -2.312 -1.894 0.463) 3.024 2.980 ( 4.885 1.449 2.455) 5.656 3.036 ( -0.681 -5.367 -2.400) 5.918 3.080 ( 0.659 -2.410 0.064) 2.499 3.199 ( 0.100 -2.882 1.813) 3.406 3.240 ( 2.830 1.560 -1.200) 3.447 3.366 ( -4.613 -1.249 -0.044) 4.779 3.410 ( 0.470 -2.645 0.127) 2.690 3.424 ( -1.342 -4.062 0.178) 4.281 3.546 ( 0.406 3.906 -1.210) 4.109 3.749 ( -1.932 -2.792 -2.566) 4.256 3.880 ( 1.749 0.569 -1.236) 2.216 3.934 ( 0.531 -1.731 -2.217) 2.863 4.054 ( -2.046 0.556 2.694) 3.428 4.100 ( -2.513 1.527 2.992) 4.195 4.241 ( -1.143 4.068 4.361) 6.072 4.528 ( -6.068 -6.082 -1.404) 8.706 4.613 ( -2.451 5.076 0.731) 5.684 4.712 ( 0.983 -0.478 0.357) 1.150 4.799 ( 1.739 -1.127 0.233) 2.085 4.832 ( -1.491 -3.431 -1.182) 3.923 5.111 ( -3.107 10.064 -3.466) 11.088 5.580 ( 0.540 -0.585 -1.981) 2.135 5.611 ( -0.212 -0.811 2.213) 2.366 5.641 ( 6.584 -7.550 -0.811) 10.050 5.785 ( -1.180 3.586 2.628) 4.600 6.409 ( -10.080 -2.460 -11.920) 15.804 8.209 ( 0.083 2.324 5.714) 6.169 8.341 ( 1.961 -1.151 0.758) 2.397 8.455 ( 1.058 5.430 0.231) 5.537 8.737 ( -0.037 -0.816 -0.330) 0.881 8.859 ( 0.420 -1.965 0.564) 2.087 9.032 ( -4.480 -1.349 -1.933) 5.062 10.043 ( 3.509 -0.283 -1.555) 3.849 10.091 ( 4.998 -0.345 -0.683) 5.056 10.290 ( 0.898 1.133 0.117) 1.450 10.409 ( 0.392 -1.092 -0.323) 1.204 12.897 ( 0.707 1.733 1.253) 2.253 12.943 ( 0.175 1.465 0.059) 1.477 13.268 ( -1.656 -0.447 0.070) 1.717 13.331 ( -0.978 -2.125 1.627) 2.849 13.535 ( 0.716 1.170 -0.191) 1.385 13.739 ( -3.213 4.693 2.742) 6.313 13.864 ( -0.277 -1.794 -2.736) 3.283 14.111 ( -1.850 -3.397 0.988) 3.992 14.153 ( -3.693 0.178 -1.563) 4.014 14.287 ( -2.492 1.253 -5.798) 6.434 17.278 ( -0.586 3.408 2.884) 4.503 17.485 ( -2.214 -0.354 1.869) 2.919 23.266 ( -0.690 2.790 1.061) 3.063 23.445 ( -7.689 1.371 1.774) 8.009 25.021 ( 0.827 -0.128 0.640) 1.054 25.030 ( 0.274 0.127 0.437) 0.531 26.391 ( 3.289 -2.765 0.824) 4.375 26.400 ( 1.709 -0.570 -0.249) 1.818 26.490 ( 4.794 0.141 0.120) 4.798 26.627 ( 10.445 -2.249 -3.033) 11.107 26.663 ( 2.432 1.861 -1.023) 3.229 26.786 ( 1.756 0.315 -3.750) 4.153 27.122 ( -1.995 1.827 -1.814) 3.258 27.289 ( -0.180 -4.395 -4.516) 6.304 27.689 ( -5.178 6.143 5.484) 9.727 28.070 ( -7.236 -5.099 5.657) 10.506 ======================= Grid point 11 (8/69) ======================= q-point: ( 0.22 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 12.303 8.711 10.788) 18.537 0.972 ( 12.617 8.822 9.875) 18.290 1.229 ( 3.906 1.120 2.063) 4.557 1.424 ( -0.880 -3.120 1.199) 3.456 1.496 ( 3.380 -3.596 1.485) 5.154 1.553 ( 7.257 0.023 -2.054) 7.542 1.654 ( 7.438 5.534 3.666) 9.969 1.718 ( 1.063 2.648 0.485) 2.895 1.866 ( 1.503 -3.788 -2.721) 4.901 1.961 ( 6.047 -0.460 1.040) 6.153 1.986 ( 1.433 3.084 -0.625) 3.457 2.094 ( 1.047 1.797 1.282) 2.443 2.118 ( 0.702 0.524 -0.943) 1.287 2.126 ( 1.811 -5.719 -0.497) 6.020 2.196 ( 1.485 -1.382 -4.146) 4.615 2.310 ( -1.362 0.694 -5.710) 5.911 2.387 ( -1.312 -1.161 -4.270) 4.616 2.405 ( 5.145 -1.077 0.694) 5.302 2.463 ( -2.354 -2.318 -1.293) 3.547 2.491 ( -1.743 2.026 2.560) 3.701 2.545 ( 0.752 0.921 4.324) 4.484 2.552 ( -1.470 -0.864 0.263) 1.725 2.653 ( -3.685 -0.521 -0.356) 3.739 2.732 ( 3.226 0.177 1.765) 3.682 2.769 ( -0.976 4.677 3.290) 5.801 2.826 ( 0.661 -4.035 -1.753) 4.449 2.909 ( -0.965 1.300 1.767) 2.396 2.963 ( 2.890 -2.507 2.724) 4.696 2.986 ( -0.849 -4.330 -3.093) 5.388 3.027 ( 0.336 3.006 -0.963) 3.175 3.114 ( 0.444 0.247 2.781) 2.827 3.204 ( -5.442 -2.219 -1.180) 5.994 3.268 ( -0.743 -0.563 -1.103) 1.444 3.282 ( 1.745 -0.717 0.664) 2.000 3.361 ( -4.121 -2.159 -0.609) 4.693 3.450 ( 3.313 -2.088 1.529) 4.204 3.557 ( 1.163 4.100 -0.544) 4.296 3.695 ( -0.304 -0.349 -2.667) 2.706 3.876 ( 0.619 0.199 -3.255) 3.319 3.913 ( 0.601 0.989 -2.329) 2.601 4.072 ( -1.774 -1.133 4.953) 5.382 4.094 ( -2.610 0.955 3.736) 4.657 4.251 ( -5.110 1.549 4.305) 6.858 4.407 ( -4.415 -2.281 -1.668) 5.242 4.602 ( -1.375 2.808 1.523) 3.478 4.744 ( -1.803 3.307 -1.762) 4.158 4.764 ( -0.274 -1.308 1.272) 1.845 4.825 ( 0.612 -2.471 0.069) 2.547 5.031 ( 0.375 6.680 -4.837) 8.255 5.551 ( 0.132 0.398 -3.440) 3.465 5.634 ( -0.772 -2.153 2.606) 3.467 5.693 ( 2.864 -6.163 -3.193) 7.508 5.798 ( -2.330 -0.863 3.640) 4.407 6.107 ( -9.255 -1.084 -10.768) 14.240 8.271 ( -0.495 -1.264 4.127) 4.344 8.397 ( 0.651 0.074 4.041) 4.094 8.470 ( 0.075 5.731 0.616) 5.764 8.781 ( 2.070 -2.076 4.421) 5.305 8.875 ( -2.276 0.780 -1.025) 2.616 8.903 ( -0.912 0.497 -3.462) 3.614 10.070 ( 3.198 0.228 -4.419) 5.460 10.168 ( 5.794 -1.500 -1.771) 6.241 10.311 ( 1.180 0.645 0.503) 1.436 10.424 ( 1.525 -0.485 0.453) 1.663 12.911 ( -0.231 1.442 0.359) 1.504 12.966 ( 1.283 1.613 2.477) 3.222 13.232 ( -2.590 0.147 -0.175) 2.600 13.337 ( -1.070 -2.579 2.458) 3.720 13.582 ( 2.556 -2.244 1.879) 3.886 13.733 ( -1.803 4.035 3.410) 5.582 13.770 ( -4.052 -3.741 -4.970) 7.424 14.050 ( -3.954 1.443 -2.191) 4.745 14.126 ( 0.489 -2.752 -1.815) 3.332 14.194 ( -1.260 1.549 -4.346) 4.783 17.308 ( -0.635 2.660 3.580) 4.505 17.444 ( -3.676 1.415 0.047) 3.939 23.266 ( -1.230 2.447 1.484) 3.115 23.354 ( -5.634 1.812 1.436) 6.090 25.023 ( 0.110 0.445 -0.363) 0.585 25.062 ( 1.222 -0.323 1.464) 1.934 26.411 ( 1.214 0.318 -0.592) 1.387 26.453 ( 3.089 -3.020 -0.225) 4.326 26.593 ( 5.412 0.389 1.452) 5.617 26.686 ( 3.049 2.762 -1.501) 4.379 26.749 ( 10.587 0.156 -8.039) 13.295 26.791 ( 1.335 -2.968 0.574) 3.304 27.109 ( 1.713 2.297 -0.461) 2.902 27.240 ( 0.590 -2.161 -2.940) 3.696 27.659 ( -7.847 2.947 7.929) 11.538 27.970 ( -9.491 -5.052 1.716) 10.888 ======================= Grid point 12 (9/69) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 10.147 6.408 8.185) 14.527 1.202 ( 5.217 7.032 4.867) 10.018 1.367 ( 9.074 -0.193 1.297) 9.168 1.444 ( -1.562 0.178 6.663) 6.846 1.573 ( 2.316 -2.213 1.559) 3.563 1.616 ( 8.083 2.495 -4.356) 9.515 1.769 ( 0.859 -2.881 4.413) 5.340 1.781 ( 0.794 3.247 1.932) 3.860 1.839 ( 1.109 -1.982 -1.973) 3.008 1.963 ( 1.906 -0.516 -2.621) 3.282 2.008 ( 0.228 -1.169 -5.195) 5.330 2.050 ( -0.489 -1.545 -5.188) 5.435 2.111 ( 1.706 -5.221 -3.745) 6.648 2.153 ( 0.375 -1.915 -2.094) 2.862 2.234 ( -2.029 1.306 -0.919) 2.582 2.313 ( 2.456 -0.247 5.558) 6.081 2.330 ( 1.501 1.569 -0.152) 2.177 2.417 ( 0.061 -2.574 -1.376) 2.919 2.445 ( -2.563 -0.241 0.483) 2.619 2.490 ( 0.762 -0.378 -1.936) 2.115 2.578 ( 0.709 0.055 -1.533) 1.690 2.602 ( -0.079 -1.658 4.625) 4.914 2.637 ( 5.974 0.623 2.357) 6.452 2.782 ( -4.484 -0.560 1.564) 4.782 2.794 ( 0.027 1.814 -0.907) 2.029 2.800 ( 0.796 0.898 0.690) 1.385 2.915 ( -1.558 -8.869 -0.854) 9.045 2.938 ( 3.252 2.654 -1.511) 4.461 2.992 ( -0.822 2.561 2.677) 3.794 3.031 ( -1.269 1.256 0.129) 1.790 3.084 ( -4.033 1.177 0.666) 4.254 3.147 ( -0.453 -0.037 2.373) 2.416 3.223 ( -2.191 -2.266 -2.955) 4.320 3.302 ( 0.512 2.306 -0.913) 2.532 3.347 ( 1.973 -1.242 0.372) 2.361 3.517 ( -0.466 0.208 2.093) 2.154 3.575 ( 2.431 4.678 1.170) 5.400 3.681 ( 2.034 2.308 -2.793) 4.156 3.839 ( 0.069 2.753 -3.178) 4.205 3.892 ( -0.315 0.877 -2.111) 2.308 4.072 ( -5.318 -0.550 2.802) 6.036 4.097 ( -2.830 -1.434 4.039) 5.136 4.203 ( -1.372 1.173 1.431) 2.303 4.366 ( -1.682 -0.071 0.991) 1.954 4.583 ( -1.960 -0.114 -0.299) 1.986 4.631 ( -4.670 3.251 -2.860) 6.368 4.836 ( 0.554 -1.234 1.933) 2.359 4.858 ( 3.123 -0.276 5.193) 6.066 5.012 ( 3.496 2.141 -4.658) 6.206 5.509 ( 0.588 -0.237 -5.290) 5.328 5.623 ( -5.498 -8.573 -5.557) 11.602 5.652 ( -0.689 -2.557 0.123) 2.651 5.760 ( -3.265 1.325 0.259) 3.533 5.945 ( -1.417 -1.798 -0.035) 2.289 8.271 ( -2.191 1.780 -0.812) 2.938 8.429 ( -0.753 2.469 1.586) 3.029 8.487 ( -1.514 3.300 5.151) 6.302 8.759 ( -1.875 3.137 -4.913) 6.123 8.888 ( 3.339 -3.646 4.244) 6.515 8.963 ( 2.932 -3.309 3.361) 5.553 10.048 ( 1.320 1.763 -5.081) 5.538 10.218 ( 3.196 1.015 -2.623) 4.257 10.348 ( 2.208 -2.429 1.083) 3.457 10.459 ( 1.514 -0.960 0.660) 1.910 12.919 ( 0.175 1.317 1.387) 1.921 13.022 ( 1.388 0.336 2.648) 3.009 13.184 ( -2.532 0.527 -0.489) 2.632 13.355 ( 0.038 -3.401 2.080) 3.987 13.618 ( -0.653 0.538 -0.155) 0.861 13.657 ( -1.815 -0.053 -3.336) 3.798 13.773 ( -0.038 -0.097 5.141) 5.142 13.932 ( -4.665 2.891 -4.844) 7.320 14.107 ( -0.178 -3.248 -1.668) 3.656 14.144 ( 0.388 -0.461 -3.609) 3.659 17.334 ( -0.734 1.548 2.645) 3.151 17.382 ( -2.855 1.814 -0.814) 3.479 23.260 ( -1.239 2.212 1.157) 2.787 23.293 ( -3.378 2.014 0.757) 4.005 25.023 ( 0.322 0.624 -0.223) 0.737 25.093 ( 0.673 -0.712 1.044) 1.432 26.423 ( 1.497 -0.198 -1.289) 1.985 26.483 ( 1.492 -3.179 -0.914) 3.628 26.677 ( 2.823 -0.480 0.690) 2.946 26.717 ( 2.796 4.767 -1.562) 5.743 26.809 ( -0.286 -6.174 0.283) 6.187 26.831 ( 8.286 3.291 -3.422) 9.550 27.136 ( 2.606 4.222 -1.637) 5.225 27.255 ( 2.999 1.255 -1.020) 3.408 27.634 ( -6.107 -1.940 8.381) 10.550 27.820 ( -8.878 -5.052 -0.590) 10.231 ======================= Grid point 13 (10/69) ======================= q-point: ( 0.44 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 2.375 5.318 0.956) 5.902 1.328 ( 0.514 3.972 2.017) 4.485 1.537 ( 1.957 4.011 11.176) 12.035 1.550 ( 8.340 0.411 2.319) 8.666 1.615 ( 4.304 2.262 -2.981) 5.703 1.680 ( 0.283 3.064 -1.568) 3.454 1.761 ( -1.943 -0.452 -4.951) 5.338 1.814 ( 4.151 3.027 2.533) 5.728 1.827 ( -2.705 -0.797 -4.670) 5.455 1.894 ( -5.171 1.746 3.707) 6.598 1.979 ( 0.451 -3.451 -2.943) 4.557 2.029 ( 1.192 -6.320 -1.003) 6.509 2.118 ( -0.438 0.011 -0.363) 0.569 2.140 ( 5.372 1.678 -1.295) 5.775 2.196 ( -3.607 3.405 -1.081) 5.077 2.290 ( -3.339 -2.356 -0.707) 4.148 2.346 ( -0.125 -1.411 1.949) 2.410 2.391 ( -1.076 -3.492 -2.977) 4.714 2.430 ( -1.907 0.488 -1.429) 2.433 2.499 ( 2.120 -1.290 1.579) 2.941 2.573 ( 3.667 -4.511 0.419) 5.829 2.654 ( -3.529 -4.795 -3.690) 7.004 2.667 ( 0.005 -3.142 0.512) 3.183 2.725 ( -2.989 -1.530 2.626) 4.262 2.822 ( 3.814 -1.012 1.482) 4.215 2.879 ( 4.200 -3.365 2.901) 6.114 2.895 ( 0.344 -4.105 -0.135) 4.122 2.947 ( -3.658 2.875 -0.778) 4.717 3.004 ( 2.304 0.822 0.116) 2.449 3.039 ( -1.046 1.857 -1.338) 2.516 3.071 ( 1.412 3.906 0.859) 4.241 3.151 ( -1.225 -0.064 2.163) 2.486 3.183 ( -0.720 -0.570 -0.062) 0.920 3.280 ( -0.415 5.985 -1.646) 6.221 3.404 ( 3.483 1.144 0.519) 3.703 3.507 ( -1.760 1.186 0.898) 2.304 3.634 ( 0.037 4.779 4.118) 6.308 3.673 ( 1.101 3.775 -3.681) 5.386 3.820 ( 1.015 3.686 -1.599) 4.144 3.852 ( -1.091 1.866 -1.865) 2.855 3.999 ( -4.166 0.116 1.441) 4.409 4.104 ( -0.345 -0.787 1.027) 1.339 4.223 ( 0.542 1.065 0.908) 1.501 4.350 ( -1.040 -0.429 0.372) 1.185 4.546 ( -1.116 -1.255 -0.668) 1.807 4.556 ( -1.457 1.772 -1.083) 2.537 4.858 ( -0.034 0.066 1.285) 1.287 4.984 ( 2.759 -2.087 3.929) 5.235 5.029 ( 2.886 0.398 -0.159) 2.918 5.366 ( -4.837 -8.936 -9.132) 13.662 5.511 ( -1.342 1.322 -0.195) 1.894 5.657 ( -0.084 -1.820 0.483) 1.885 5.737 ( -0.572 1.510 0.116) 1.619 5.960 ( 0.279 -4.997 1.349) 5.183 8.212 ( -1.950 4.753 -1.085) 5.251 8.428 ( 0.075 6.187 -0.330) 6.196 8.536 ( -0.439 -0.193 4.602) 4.627 8.692 ( -0.388 2.064 -3.321) 3.929 8.970 ( 1.546 -5.403 2.008) 5.968 9.035 ( 1.272 -4.324 1.839) 4.868 10.014 ( 0.277 3.178 -2.239) 3.897 10.225 ( 0.823 2.614 -1.240) 3.008 10.391 ( 1.255 -3.808 0.540) 4.046 10.480 ( 0.459 -1.822 0.173) 1.887 12.941 ( 0.259 1.132 1.095) 1.596 13.060 ( 0.491 -0.699 0.916) 1.252 13.148 ( -1.028 0.468 -0.294) 1.167 13.379 ( 0.488 -5.563 0.766) 5.637 13.579 ( -1.154 4.484 -0.229) 4.636 13.637 ( -0.022 3.914 -0.544) 3.952 13.818 ( -2.410 1.941 -2.806) 4.178 13.825 ( 0.222 -0.413 2.365) 2.411 14.090 ( -0.311 -3.318 -0.238) 3.342 14.115 ( 0.472 -2.389 -2.310) 3.357 17.336 ( -1.080 1.477 0.138) 1.835 17.351 ( -0.269 0.819 0.361) 0.935 23.255 ( -0.504 2.099 0.470) 2.209 23.262 ( -1.142 2.172 0.189) 2.461 25.026 ( 0.185 0.619 -0.053) 0.649 25.108 ( 0.173 -0.939 0.362) 1.021 26.430 ( 0.725 -0.919 -0.673) 1.350 26.488 ( 0.340 -3.231 -0.427) 3.277 26.707 ( 0.872 -1.545 -0.184) 1.783 26.734 ( 0.860 4.879 -0.771) 5.013 26.803 ( -0.164 -4.740 0.037) 4.743 26.919 ( 3.564 4.160 0.029) 5.478 27.155 ( 1.369 7.522 -1.003) 7.711 27.276 ( 0.691 2.885 -0.538) 3.015 27.653 ( -1.299 -6.113 3.904) 7.369 27.695 ( -4.274 -5.856 -0.677) 7.282 ======================= Grid point 18 (11/69) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 0.000 17.819 0.000) 17.819 0.987 ( 0.000 19.779 0.000) 19.779 1.206 ( 0.000 -5.695 0.000) 5.695 1.317 ( 0.000 -2.617 0.000) 2.617 1.418 ( 0.000 -10.604 0.000) 10.604 1.477 ( 0.000 -6.188 0.000) 6.188 1.710 ( 0.000 0.366 0.000) 0.366 1.743 ( 0.000 14.840 0.000) 14.840 1.791 ( 0.000 9.933 0.000) 9.933 1.856 ( 0.000 2.292 0.000) 2.292 1.883 ( 0.000 -0.592 0.000) 0.592 1.936 ( 0.000 1.496 0.000) 1.496 2.056 ( 0.000 -3.390 0.000) 3.390 2.154 ( 0.000 -2.689 0.000) 2.689 2.182 ( 0.000 0.087 0.000) 0.087 2.288 ( 0.000 -2.827 0.000) 2.827 2.323 ( 0.000 2.417 0.000) 2.417 2.371 ( 0.000 -2.296 0.000) 2.296 2.480 ( 0.000 -4.030 0.000) 4.030 2.496 ( 0.000 -7.220 0.000) 7.220 2.603 ( 0.000 2.784 0.000) 2.784 2.646 ( 0.000 -2.197 0.000) 2.197 2.727 ( 0.000 0.353 0.000) 0.353 2.741 ( 0.000 -0.978 0.000) 0.978 2.798 ( 0.000 3.783 0.000) 3.783 2.821 ( 0.000 2.341 0.000) 2.341 2.844 ( 0.000 0.090 0.000) 0.090 2.883 ( 0.000 0.168 0.000) 0.168 2.923 ( 0.000 0.632 0.000) 0.632 2.924 ( 0.000 -1.493 0.000) 1.493 3.011 ( 0.000 -1.833 0.000) 1.833 3.088 ( 0.000 -5.660 0.000) 5.660 3.299 ( 0.000 3.957 0.000) 3.957 3.368 ( 0.000 -1.803 0.000) 1.803 3.390 ( 0.000 -0.657 0.000) 0.657 3.402 ( 0.000 -1.239 0.000) 1.239 3.632 ( 0.000 3.821 0.000) 3.821 3.715 ( 0.000 -3.501 0.000) 3.501 3.893 ( 0.000 0.935 0.000) 0.935 3.905 ( 0.000 -0.573 0.000) 0.573 4.082 ( 0.000 2.100 0.000) 2.100 4.129 ( 0.000 -0.648 0.000) 0.648 4.307 ( 0.000 2.784 0.000) 2.784 4.396 ( 0.000 -7.172 0.000) 7.172 4.693 ( 0.000 2.301 0.000) 2.301 4.725 ( 0.000 0.185 0.000) 0.185 4.732 ( 0.000 -0.843 0.000) 0.843 4.764 ( 0.000 -3.555 0.000) 3.555 5.362 ( 0.000 7.349 0.000) 7.349 5.482 ( 0.000 -4.093 0.000) 4.093 5.579 ( 0.000 0.059 0.000) 0.059 5.586 ( 0.000 -0.655 0.000) 0.655 5.987 ( 0.000 13.856 0.000) 13.856 6.325 ( 0.000 -15.726 0.000) 15.726 8.263 ( 0.000 3.215 0.000) 3.215 8.310 ( 0.000 -1.174 0.000) 1.174 8.584 ( 0.000 6.855 0.000) 6.855 8.723 ( 0.000 -6.151 0.000) 6.151 8.818 ( 0.000 4.348 0.000) 4.348 8.941 ( 0.000 -6.327 0.000) 6.327 10.043 ( 0.000 0.563 0.000) 0.563 10.048 ( 0.000 0.226 0.000) 0.226 10.313 ( 0.000 1.993 0.000) 1.993 10.364 ( 0.000 -2.447 0.000) 2.447 12.930 ( 0.000 1.844 0.000) 1.844 12.949 ( 0.000 0.080 0.000) 0.080 13.272 ( 0.000 -0.070 0.000) 0.070 13.287 ( 0.000 -1.480 0.000) 1.480 13.698 ( 0.000 7.145 0.000) 7.145 13.821 ( 0.000 -3.421 0.000) 3.421 13.889 ( 0.000 6.110 0.000) 6.110 14.013 ( 0.000 -5.231 0.000) 5.231 14.199 ( 0.000 -0.092 0.000) 0.092 14.251 ( 0.000 -5.103 0.000) 5.103 17.356 ( 0.000 4.142 0.000) 4.142 17.433 ( 0.000 -2.865 0.000) 2.865 23.352 ( 0.000 4.602 0.000) 4.602 23.451 ( 0.000 -4.293 0.000) 4.293 25.010 ( 0.000 0.275 0.000) 0.275 25.017 ( 0.000 -0.395 0.000) 0.395 26.326 ( 0.000 0.168 0.000) 0.168 26.340 ( 0.000 -1.158 0.000) 1.158 26.501 ( 0.000 1.084 0.000) 1.084 26.520 ( 0.000 -0.506 0.000) 0.506 26.700 ( 0.000 2.674 0.000) 2.674 26.759 ( 0.000 -2.450 0.000) 2.450 27.181 ( 0.000 0.849 0.000) 0.849 27.223 ( 0.000 -3.229 0.000) 3.229 27.862 ( 0.000 6.946 0.000) 6.946 27.995 ( 0.000 -5.137 0.000) 5.137 ======================= Grid point 19 (12/69) ======================= q-point: ( 0.11 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -0.994 16.343 1.538) 16.446 1.015 ( 7.111 16.277 2.048) 17.881 1.219 ( -2.778 -5.972 5.446) 8.547 1.313 ( 1.808 -10.892 -4.120) 11.784 1.367 ( 0.710 2.268 -2.470) 3.428 1.507 ( 1.901 -6.750 -0.379) 7.022 1.682 ( 0.676 5.550 -0.536) 5.617 1.765 ( 0.736 -0.654 -0.741) 1.232 1.868 ( 2.214 0.786 -3.660) 4.349 1.875 ( 2.156 5.983 4.323) 7.690 1.915 ( 1.572 -0.805 1.664) 2.426 2.000 ( 2.068 -0.696 2.502) 3.319 2.099 ( 8.349 7.932 3.527) 12.044 2.165 ( 1.923 0.202 -3.154) 3.700 2.192 ( 1.977 -1.314 -1.972) 3.087 2.264 ( -1.715 0.585 2.369) 2.983 2.304 ( 0.249 -2.366 -3.496) 4.228 2.374 ( 1.193 -0.257 1.263) 1.756 2.512 ( 0.709 -4.047 0.680) 4.164 2.517 ( 1.122 -3.713 0.874) 3.976 2.586 ( -0.277 1.576 -2.973) 3.377 2.605 ( -2.443 -0.266 -2.009) 3.174 2.691 ( -2.336 0.819 -2.777) 3.721 2.727 ( -0.250 1.880 -2.625) 3.238 2.779 ( -2.703 -0.594 1.155) 2.999 2.831 ( 1.463 -2.325 2.881) 3.980 2.864 ( -0.631 2.962 1.185) 3.252 2.884 ( 0.569 -1.632 -0.185) 1.739 2.936 ( 3.528 -0.713 0.574) 3.645 2.981 ( 1.316 -2.989 1.512) 3.599 3.037 ( 2.758 1.303 2.915) 4.219 3.112 ( -0.272 -4.416 2.278) 4.976 3.300 ( 1.438 2.880 -1.770) 3.674 3.348 ( -2.093 -1.224 -2.899) 3.779 3.367 ( -2.469 -0.335 1.339) 2.829 3.379 ( -0.871 -1.246 0.799) 1.717 3.618 ( 0.606 2.958 -2.211) 3.742 3.685 ( -0.311 -3.118 -3.158) 4.449 3.894 ( -0.751 0.897 0.886) 1.467 3.914 ( 0.501 -0.616 0.062) 0.796 4.077 ( -2.060 2.206 2.151) 3.707 4.128 ( -2.691 -0.677 3.436) 4.416 4.302 ( -0.828 2.103 0.143) 2.265 4.374 ( -1.357 -5.614 -1.319) 5.925 4.702 ( -1.265 2.916 1.189) 3.394 4.710 ( 1.278 0.889 0.476) 1.628 4.750 ( 0.471 -2.559 -0.485) 2.647 4.774 ( -0.116 -2.469 0.896) 2.629 5.328 ( -1.978 8.973 -2.803) 9.606 5.491 ( 0.745 -6.568 -0.047) 6.610 5.577 ( 0.414 0.338 -0.913) 1.058 5.592 ( 0.169 -0.966 0.334) 1.036 5.952 ( -3.118 11.303 -1.088) 11.775 6.226 ( -6.703 -12.293 -6.076) 15.264 8.257 ( -1.233 2.030 1.658) 2.897 8.301 ( -0.105 -2.109 0.168) 2.119 8.591 ( 0.263 5.945 0.845) 6.011 8.696 ( -0.429 -3.645 -0.014) 3.670 8.867 ( 2.557 3.449 1.161) 4.447 8.965 ( -0.086 -4.456 0.836) 4.534 10.051 ( 2.888 0.833 -1.739) 3.473 10.073 ( 3.466 -1.095 -1.552) 3.952 10.326 ( 0.745 2.097 0.875) 2.392 10.374 ( 0.577 -2.060 0.745) 2.266 12.938 ( 0.692 1.702 0.291) 1.860 12.959 ( 0.798 -0.085 0.325) 0.866 13.264 ( -1.389 0.333 0.806) 1.640 13.287 ( -1.306 -1.678 1.674) 2.706 13.634 ( -2.474 6.557 -4.400) 8.275 13.770 ( -3.658 -4.866 -2.800) 6.701 13.875 ( -1.450 5.487 -0.097) 5.676 14.004 ( -1.438 -5.843 0.973) 6.095 14.175 ( -0.055 2.285 -2.282) 3.230 14.245 ( 0.676 -3.584 -3.582) 5.112 17.367 ( -1.490 4.262 3.646) 5.803 17.447 ( -1.743 -2.917 3.685) 5.013 23.344 ( -1.431 3.969 0.757) 4.287 23.422 ( -3.385 -2.843 0.431) 4.442 25.021 ( 0.659 0.204 0.618) 0.926 25.027 ( 0.593 -0.280 0.704) 0.962 26.362 ( 3.315 -0.047 0.269) 3.326 26.377 ( 3.659 -1.176 -0.045) 3.843 26.518 ( 2.136 2.125 1.556) 3.391 26.573 ( 4.450 -2.688 0.911) 5.278 26.717 ( 3.327 2.734 -1.869) 4.695 26.768 ( 3.094 -1.753 -2.697) 4.463 27.152 ( -0.792 1.409 -2.430) 2.919 27.200 ( -0.161 -3.274 -2.938) 4.402 27.832 ( -5.622 6.516 2.959) 9.101 27.961 ( -6.016 -5.306 2.563) 8.421 ======================= Grid point 20 (13/69) ======================= q-point: ( 0.22 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 6.570 8.269 10.741) 15.064 1.187 ( 7.641 5.937 3.414) 10.261 1.271 ( 3.027 -3.541 7.583) 8.900 1.345 ( 3.623 3.779 0.516) 5.260 1.397 ( 6.351 -2.117 -1.617) 6.887 1.526 ( 1.695 -3.707 -0.778) 4.149 1.715 ( 1.153 1.764 2.675) 3.405 1.764 ( -0.683 -3.208 -0.003) 3.280 1.870 ( 4.901 1.561 -3.956) 6.489 1.920 ( -1.376 3.547 2.686) 4.657 1.942 ( 1.727 -6.368 -0.577) 6.623 2.020 ( 0.862 -1.766 -0.732) 2.096 2.117 ( -0.366 0.783 -6.589) 6.645 2.161 ( 1.285 -2.060 -6.589) 7.022 2.287 ( 3.429 0.852 -0.676) 3.597 2.308 ( 3.533 5.189 1.270) 6.405 2.365 ( 3.673 0.581 4.640) 5.946 2.393 ( 0.414 1.470 -1.020) 1.837 2.468 ( -2.020 2.498 -2.448) 4.039 2.506 ( -3.019 -1.663 -2.712) 4.386 2.552 ( 1.242 0.260 -0.001) 1.269 2.577 ( 1.840 -0.825 2.475) 3.193 2.647 ( -1.264 2.255 -3.977) 4.743 2.704 ( -1.849 0.306 2.347) 3.003 2.734 ( 0.674 -3.256 -1.756) 3.760 2.822 ( -2.803 -7.260 -3.528) 8.545 2.882 ( -1.121 4.830 3.208) 5.905 2.939 ( 5.006 0.114 1.653) 5.273 3.011 ( 1.081 2.392 2.093) 3.357 3.022 ( 1.891 -1.912 3.888) 4.728 3.100 ( -2.195 -1.793 1.038) 3.019 3.134 ( 2.765 -4.171 2.435) 5.565 3.269 ( -2.618 1.114 -1.720) 3.325 3.276 ( -1.901 0.940 -3.237) 3.870 3.377 ( 1.250 2.062 1.709) 2.956 3.416 ( 2.773 -1.375 3.268) 4.502 3.618 ( 1.704 1.463 -1.110) 2.505 3.655 ( 1.056 -2.361 -2.538) 3.623 3.892 ( 0.377 1.225 -0.130) 1.288 3.915 ( 0.223 -0.615 -0.579) 0.874 4.068 ( -2.497 1.423 3.078) 4.211 4.115 ( -4.933 -1.166 4.698) 6.911 4.276 ( -1.532 2.353 -0.948) 2.963 4.344 ( -0.940 -3.196 -0.008) 3.331 4.674 ( -3.187 3.408 -0.491) 4.692 4.733 ( -1.789 -1.589 -0.320) 2.414 4.768 ( 1.325 -1.387 0.903) 2.120 4.770 ( 1.284 -1.134 1.707) 2.418 5.240 ( -2.460 11.225 -5.667) 12.813 5.477 ( -0.354 -10.405 -4.600) 11.382 5.569 ( -0.503 0.843 -0.012) 0.982 5.597 ( -0.125 -1.728 0.525) 1.810 5.877 ( -4.141 6.024 -0.774) 7.350 6.020 ( -7.523 -6.242 -6.348) 11.656 8.273 ( -0.551 1.544 3.739) 4.083 8.338 ( 0.689 -4.032 4.590) 6.148 8.610 ( 0.439 6.390 1.294) 6.534 8.729 ( 1.730 -4.105 2.901) 5.316 8.892 ( 0.628 2.118 -1.457) 2.646 8.925 ( -1.975 -0.039 -3.872) 4.347 10.086 ( 3.907 1.264 -2.788) 4.964 10.124 ( 5.007 -2.163 -1.487) 5.653 10.346 ( 0.460 2.297 0.371) 2.372 10.396 ( 0.872 -2.017 0.876) 2.366 12.952 ( 0.452 1.952 0.192) 2.013 12.981 ( 1.097 -0.453 0.843) 1.455 13.245 ( -2.138 1.159 0.692) 2.529 13.282 ( -1.670 -2.200 1.749) 3.270 13.584 ( 0.643 2.413 -0.424) 2.533 13.668 ( -2.983 -4.734 -3.235) 6.463 13.854 ( -2.316 6.200 1.781) 6.854 13.989 ( -2.577 -5.820 1.652) 6.575 14.136 ( 0.556 2.664 -5.879) 6.478 14.189 ( -0.276 -1.767 -5.856) 6.123 17.380 ( -2.555 3.539 4.042) 5.949 17.441 ( -3.651 -1.706 2.851) 4.937 23.327 ( -1.990 2.757 1.288) 3.636 23.368 ( -3.709 -0.762 0.871) 3.885 25.035 ( 0.395 0.700 0.304) 0.859 25.051 ( 0.772 -0.661 1.018) 1.439 26.413 ( 2.364 0.133 -0.450) 2.410 26.423 ( 2.741 -0.476 -1.389) 3.109 26.599 ( 3.599 1.127 2.424) 4.483 26.658 ( 2.855 -4.150 2.026) 5.429 26.764 ( 6.118 3.213 -3.402) 7.703 26.802 ( 7.034 -0.054 -5.142) 8.713 27.136 ( 1.912 1.125 -1.071) 2.463 27.182 ( 1.899 -2.893 -1.136) 3.642 27.750 ( -9.269 4.952 4.139) 11.294 27.859 ( -9.325 -5.009 1.873) 10.750 ======================= Grid point 21 (14/69) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 5.276 4.971 10.463) 12.729 1.368 ( 7.490 0.066 5.513) 9.300 1.387 ( 3.292 6.841 4.944) 9.060 1.464 ( 2.325 2.575 5.885) 6.832 1.511 ( 7.476 -2.042 0.022) 7.750 1.608 ( 9.469 -4.145 1.415) 10.434 1.748 ( -0.280 -1.296 0.723) 1.510 1.772 ( 1.096 1.364 4.210) 4.559 1.909 ( -2.440 0.707 0.993) 2.727 1.940 ( 1.810 -0.390 0.411) 1.897 1.969 ( 5.908 -0.977 -1.506) 6.175 2.013 ( 1.203 0.440 -5.565) 5.710 2.036 ( -0.807 -0.828 -4.623) 4.765 2.100 ( 2.520 -3.558 -6.062) 7.467 2.264 ( -4.784 1.440 -0.184) 5.000 2.297 ( 2.389 1.508 -4.036) 4.926 2.352 ( -4.254 -0.419 -0.901) 4.369 2.386 ( -5.379 -1.504 1.525) 5.789 2.450 ( 2.745 0.095 -0.537) 2.798 2.479 ( 1.039 -1.735 -0.450) 2.072 2.523 ( -4.411 0.262 -1.408) 4.637 2.607 ( -0.830 -2.763 -2.764) 3.996 2.657 ( 2.275 2.122 -1.803) 3.596 2.711 ( 0.671 -2.729 -0.654) 2.885 2.751 ( 1.407 -3.422 -1.890) 4.155 2.761 ( 1.212 -3.183 2.793) 4.405 2.902 ( -0.253 5.653 1.792) 5.936 3.002 ( -0.232 0.750 -0.537) 0.951 3.022 ( -0.570 -0.072 -0.264) 0.632 3.081 ( -1.279 -1.463 0.203) 1.954 3.103 ( 3.180 3.636 3.304) 5.853 3.156 ( -1.555 0.139 0.942) 1.824 3.207 ( -1.566 2.131 -1.685) 3.136 3.275 ( 2.734 -2.848 3.482) 5.264 3.419 ( 1.661 4.885 0.797) 5.221 3.500 ( 2.167 -2.187 2.097) 3.725 3.636 ( 1.096 1.193 0.018) 1.620 3.665 ( 2.610 -1.798 -1.408) 3.468 3.913 ( 2.756 1.973 -0.632) 3.448 3.917 ( 0.708 1.033 -0.206) 1.269 4.066 ( -3.267 -0.509 2.958) 4.436 4.072 ( -4.219 -0.538 2.701) 5.039 4.249 ( -0.614 3.754 -0.253) 3.812 4.333 ( -1.494 -3.025 0.930) 3.500 4.602 ( -3.535 2.079 -1.509) 4.370 4.652 ( -4.585 -1.577 -1.670) 5.128 4.819 ( 1.634 0.129 2.497) 2.987 4.841 ( 2.376 -1.350 4.181) 4.995 5.130 ( -1.302 8.664 -6.946) 11.181 5.352 ( -3.963 -11.150 -9.841) 15.391 5.562 ( -0.734 1.427 0.441) 1.664 5.603 ( -0.105 -2.142 0.881) 2.319 5.811 ( -2.822 3.069 -0.386) 4.188 5.884 ( -3.159 -3.405 -1.592) 4.910 8.316 ( -0.596 2.839 4.023) 4.960 8.396 ( -1.762 -3.869 6.028) 7.376 8.638 ( 0.816 8.228 1.864) 8.475 8.784 ( 0.495 -3.445 0.296) 3.493 8.847 ( 0.616 0.753 -3.918) 4.037 8.881 ( 1.107 -2.763 -1.906) 3.534 10.107 ( 2.574 3.614 -2.655) 5.170 10.192 ( 4.248 -3.608 -0.707) 5.618 10.349 ( 0.065 2.639 -0.332) 2.661 10.416 ( 0.510 -2.875 0.398) 2.946 12.963 ( 0.524 2.485 0.663) 2.624 13.011 ( 1.109 -1.532 0.884) 2.087 13.210 ( -2.309 2.019 -0.096) 3.069 13.273 ( -1.354 -3.641 0.793) 3.964 13.624 ( 0.806 0.398 1.583) 1.821 13.641 ( 3.082 -1.103 1.252) 3.505 13.838 ( -3.460 5.117 3.661) 7.180 13.946 ( -5.288 -3.352 1.343) 6.404 14.062 ( 1.210 1.103 -7.916) 8.083 14.113 ( 0.192 -2.368 -6.980) 7.373 17.376 ( -2.509 1.957 2.521) 4.060 17.402 ( -3.408 -0.198 1.033) 3.566 23.310 ( -1.726 1.861 1.115) 2.773 23.326 ( -2.612 0.538 0.821) 2.790 25.043 ( 0.277 1.203 0.147) 1.243 25.071 ( 0.410 -1.232 0.667) 1.459 26.426 ( 0.893 0.391 -1.370) 1.681 26.439 ( 1.417 -0.978 -1.690) 2.413 26.658 ( 1.462 -0.244 0.533) 1.575 26.692 ( -0.044 -3.581 0.436) 3.608 26.840 ( 6.382 4.924 -1.895) 8.281 26.888 ( 7.844 0.725 -1.818) 8.084 27.186 ( 5.024 1.780 -0.334) 5.340 27.245 ( 5.641 -2.738 0.081) 6.271 27.633 ( -10.505 2.239 4.203) 11.534 27.710 ( -10.029 -4.504 0.453) 11.004 ======================= Grid point 22 (15/69) ======================= q-point: ( 0.44 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 4.362 5.533 -3.393) 7.820 1.436 ( -2.173 4.856 5.995) 8.015 1.531 ( 1.048 -0.999 3.421) 3.714 1.589 ( 3.783 -3.062 4.197) 6.426 1.640 ( 6.140 3.679 3.826) 8.117 1.718 ( 2.693 -3.525 0.486) 4.462 1.813 ( 3.140 4.972 -0.879) 5.946 1.842 ( -2.482 -0.366 3.730) 4.495 1.844 ( -2.150 1.971 1.465) 3.264 1.906 ( -3.029 1.560 -2.567) 4.266 1.935 ( -0.989 0.023 -5.204) 5.297 1.981 ( 2.223 -1.312 -2.444) 3.554 2.124 ( 6.927 0.270 3.433) 7.735 2.155 ( 7.266 -1.356 -1.448) 7.532 2.197 ( -2.930 0.341 0.626) 3.016 2.271 ( -1.676 -2.511 -1.617) 3.425 2.304 ( -3.889 1.524 0.525) 4.210 2.337 ( 1.737 -0.977 -0.265) 2.010 2.442 ( -0.877 -0.656 0.777) 1.343 2.477 ( -0.744 -0.616 0.078) 0.969 2.508 ( -1.994 -6.081 -2.042) 6.718 2.542 ( -1.416 -1.543 -3.066) 3.713 2.571 ( -1.878 -0.001 0.320) 1.905 2.676 ( -3.324 -4.521 -3.885) 6.825 2.772 ( 1.273 0.567 0.691) 1.555 2.811 ( 1.898 -2.632 0.129) 3.247 2.909 ( 0.239 2.191 -0.297) 2.224 2.951 ( -3.180 -1.481 -1.886) 3.983 3.031 ( 2.599 2.076 0.132) 3.329 3.068 ( -0.538 0.043 0.770) 0.940 3.133 ( -0.431 -0.566 -0.466) 0.850 3.150 ( -1.745 -1.466 1.943) 2.995 3.239 ( 2.474 7.872 1.524) 8.391 3.352 ( 1.273 -1.267 1.235) 2.179 3.463 ( 2.586 3.733 1.455) 4.769 3.520 ( -0.732 -0.971 -0.377) 1.273 3.652 ( 0.541 0.487 0.188) 0.752 3.686 ( 1.166 -1.575 -0.742) 2.096 3.936 ( 0.553 4.248 1.400) 4.507 3.949 ( 2.389 3.778 -1.999) 4.897 4.017 ( -3.141 1.586 1.597) 3.864 4.069 ( -0.803 -2.468 1.002) 2.782 4.247 ( 0.137 2.217 0.114) 2.224 4.315 ( -1.320 -2.931 0.425) 3.243 4.542 ( -1.533 1.344 -0.913) 2.234 4.579 ( -1.927 -0.708 -0.906) 2.244 4.872 ( 0.683 1.381 2.437) 2.883 4.922 ( 1.393 -3.072 3.070) 4.562 5.061 ( 0.606 2.932 -2.566) 3.943 5.171 ( -3.835 -7.492 -7.288) 11.134 5.556 ( -0.294 2.560 0.096) 2.579 5.611 ( 0.041 -2.372 0.395) 2.405 5.778 ( -0.836 2.447 -0.127) 2.589 5.851 ( -0.694 -4.379 0.126) 4.435 8.325 ( -1.312 5.274 1.086) 5.542 8.429 ( -0.888 -3.921 3.325) 5.217 8.673 ( 0.424 9.293 1.710) 9.458 8.745 ( 0.019 2.509 -3.628) 4.411 8.851 ( 0.943 -4.472 -0.473) 4.595 8.901 ( 1.073 -7.470 0.537) 7.566 10.112 ( 0.843 5.653 -1.043) 5.810 10.236 ( 1.600 -4.383 -0.254) 4.673 10.346 ( 0.002 2.421 -0.215) 2.431 10.422 ( 0.076 -3.454 0.014) 3.455 12.981 ( 0.413 2.410 0.586) 2.514 13.033 ( 0.530 -1.982 0.306) 2.074 13.178 ( -1.083 2.511 -0.206) 2.743 13.259 ( -0.688 -4.894 0.058) 4.942 13.683 ( 2.834 4.003 2.839) 5.667 13.716 ( 2.874 1.761 0.374) 3.391 13.826 ( -3.198 1.255 3.569) 4.954 13.851 ( -4.581 0.488 -1.556) 4.863 14.016 ( 0.742 -2.155 -2.684) 3.522 14.043 ( 0.393 -3.629 -4.775) 6.011 17.364 ( -1.258 0.851 0.914) 1.773 17.368 ( -1.131 0.478 0.024) 1.228 23.299 ( -0.672 1.436 0.445) 1.647 23.303 ( -0.959 1.110 0.303) 1.498 25.048 ( 0.113 1.341 0.048) 1.346 25.080 ( 0.102 -1.504 0.216) 1.523 26.422 ( 0.280 0.138 -0.702) 0.769 26.437 ( 0.307 -1.379 -0.770) 1.609 26.674 ( 0.468 -0.972 -0.159) 1.091 26.689 ( -0.224 -2.654 -0.093) 2.665 26.904 ( 2.563 6.745 -0.403) 7.226 26.982 ( 3.380 0.382 0.395) 3.425 27.277 ( 5.536 3.710 -0.629) 6.694 27.326 ( 3.598 0.220 -0.944) 3.726 27.528 ( -6.118 -2.990 3.012) 7.446 27.564 ( -6.692 -4.988 -0.148) 8.348 ======================= Grid point 45 (16/69) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 3.319 0.000 21.737) 21.989 0.488 ( 2.767 0.000 22.529) 22.698 0.823 ( -5.841 0.000 35.712) 36.186 1.216 ( -0.530 0.000 5.866) 5.890 1.499 ( -3.363 0.000 -0.513) 3.402 1.592 ( -3.429 0.000 -6.404) 7.264 1.663 ( 1.049 0.000 -2.475) 2.688 1.711 ( -5.785 0.000 -3.717) 6.877 1.721 ( 1.536 0.000 2.299) 2.765 1.898 ( 4.742 0.000 0.996) 4.846 1.921 ( 1.431 0.000 0.008) 1.431 1.976 ( 2.287 0.000 -6.429) 6.824 2.117 ( 1.887 0.000 -4.884) 5.235 2.228 ( -2.583 0.000 -5.267) 5.866 2.249 ( -1.040 0.000 -0.863) 1.352 2.312 ( -1.610 0.000 1.649) 2.305 2.360 ( -0.076 0.000 -0.540) 0.546 2.380 ( 0.626 0.000 3.660) 3.713 2.486 ( 3.295 0.000 2.821) 4.338 2.555 ( -0.384 0.000 2.849) 2.875 2.559 ( -8.709 0.000 -0.781) 8.744 2.625 ( -0.539 0.000 0.470) 0.715 2.671 ( 1.594 0.000 1.059) 1.914 2.746 ( -2.764 0.000 -2.633) 3.817 2.774 ( -0.235 0.000 -1.027) 1.053 2.862 ( 0.885 0.000 -2.192) 2.364 2.866 ( 0.920 0.000 2.891) 3.034 2.902 ( 0.092 0.000 1.038) 1.042 3.008 ( -1.514 0.000 2.524) 2.943 3.057 ( -0.916 0.000 -9.231) 9.276 3.097 ( 0.359 0.000 0.675) 0.765 3.170 ( 2.019 0.000 -1.540) 2.540 3.266 ( 1.185 0.000 -0.183) 1.199 3.339 ( 2.274 0.000 -5.714) 6.150 3.437 ( 3.861 0.000 1.105) 4.016 3.498 ( -3.238 0.000 0.317) 3.253 3.562 ( 4.393 0.000 0.098) 4.395 3.738 ( 2.330 0.000 -7.238) 7.604 3.806 ( 2.692 0.000 -2.437) 3.631 3.962 ( -4.150 0.000 -3.154) 5.213 4.106 ( -0.716 0.000 6.145) 6.186 4.212 ( 2.622 0.000 5.693) 6.268 4.492 ( -22.615 0.000 -1.306) 22.652 4.533 ( 0.760 0.000 6.234) 6.281 4.625 ( -0.422 0.000 -3.913) 3.936 4.720 ( -0.772 0.000 0.482) 0.911 4.855 ( -3.353 0.000 -0.736) 3.432 4.965 ( -12.175 0.000 -4.049) 12.831 4.973 ( -0.884 0.000 1.308) 1.578 5.148 ( 32.760 0.000 -2.417) 32.849 5.642 ( 2.289 0.000 5.185) 5.667 5.645 ( 0.862 0.000 2.729) 2.862 5.862 ( 0.710 0.000 -0.759) 1.040 6.374 ( -7.914 0.000 -8.712) 11.770 8.182 ( 4.622 0.000 5.722) 7.355 8.331 ( 0.432 0.000 0.722) 0.841 8.446 ( -3.199 0.000 5.171) 6.081 8.768 ( 0.410 0.000 1.630) 1.681 8.890 ( 0.264 0.000 -1.895) 1.914 9.047 ( -2.250 0.000 -5.647) 6.079 10.008 ( 2.373 0.000 -1.016) 2.581 10.009 ( -1.133 0.000 -1.124) 1.596 10.280 ( -1.137 0.000 0.775) 1.376 10.411 ( -0.946 0.000 -1.948) 2.166 12.870 ( 0.665 0.000 1.153) 1.331 12.926 ( -1.171 0.000 -0.100) 1.176 13.300 ( -0.928 0.000 0.713) 1.170 13.335 ( 3.119 0.000 -1.312) 3.384 13.643 ( -0.025 0.000 5.740) 5.740 13.710 ( 4.336 0.000 1.966) 4.761 13.915 ( -2.825 0.000 -0.519) 2.872 14.075 ( 7.984 0.000 -0.788) 8.023 14.138 ( 3.290 0.000 -1.303) 3.539 14.256 ( -6.756 0.000 -6.193) 9.165 17.264 ( 0.660 0.000 3.392) 3.456 17.478 ( -0.224 0.000 -1.520) 1.536 23.257 ( -0.149 0.000 2.048) 2.054 23.443 ( 8.147 0.000 -2.003) 8.390 25.014 ( 1.148 0.000 0.783) 1.389 25.034 ( -1.073 0.000 0.295) 1.113 26.336 ( -1.023 0.000 0.465) 1.123 26.409 ( 1.603 0.000 -1.129) 1.960 26.415 ( 1.782 0.000 1.133) 2.112 26.471 ( -3.491 0.000 -0.100) 3.492 26.641 ( -0.855 0.000 0.668) 1.085 26.701 ( 1.419 0.000 0.056) 1.421 27.238 ( -8.195 0.000 -1.013) 8.258 27.302 ( -0.044 0.000 -5.459) 5.460 27.735 ( -0.015 0.000 9.682) 9.682 28.293 ( 2.932 0.000 -4.650) 5.497 ======================= Grid point 46 (17/69) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 4.026 0.000 20.629) 21.018 0.834 ( 8.052 0.000 17.945) 19.669 1.237 ( -2.198 0.000 0.158) 2.203 1.278 ( 12.975 0.000 20.739) 24.463 1.437 ( -0.041 0.000 -3.428) 3.429 1.549 ( 6.377 0.000 -2.330) 6.790 1.590 ( -0.592 0.000 -3.480) 3.530 1.674 ( 0.985 0.000 2.622) 2.801 1.778 ( -0.183 0.000 5.015) 5.018 1.917 ( 0.369 0.000 -6.471) 6.481 1.961 ( 2.823 0.000 -2.775) 3.959 1.985 ( 5.494 0.000 -1.298) 5.645 2.115 ( -2.901 0.000 -3.547) 4.582 2.140 ( 4.378 0.000 -2.420) 5.003 2.181 ( -3.358 0.000 -2.701) 4.310 2.335 ( 2.512 0.000 -0.510) 2.564 2.372 ( 0.328 0.000 2.115) 2.140 2.439 ( 0.982 0.000 2.385) 2.580 2.463 ( -2.719 0.000 -0.794) 2.833 2.544 ( -2.668 0.000 2.768) 3.845 2.581 ( -8.189 0.000 -5.445) 9.834 2.586 ( 3.865 0.000 3.329) 5.101 2.674 ( 3.197 0.000 4.030) 5.145 2.692 ( -1.124 0.000 -1.743) 2.074 2.773 ( -0.226 0.000 0.996) 1.021 2.847 ( -0.391 0.000 -1.183) 1.246 2.881 ( 2.958 0.000 -1.076) 3.147 2.926 ( -1.034 0.000 -7.681) 7.750 3.009 ( 4.105 0.000 5.424) 6.802 3.027 ( 0.718 0.000 0.750) 1.038 3.125 ( 0.214 0.000 2.719) 2.728 3.186 ( 2.980 0.000 -3.894) 4.904 3.294 ( 1.421 0.000 0.730) 1.597 3.302 ( 2.812 0.000 -7.733) 8.229 3.404 ( -8.152 0.000 -0.069) 8.152 3.499 ( 1.763 0.000 1.320) 2.203 3.550 ( -2.435 0.000 -2.183) 3.270 3.671 ( -0.043 0.000 -6.157) 6.157 3.841 ( 1.746 0.000 0.728) 1.891 3.850 ( -4.071 0.000 -3.464) 5.345 4.169 ( -0.961 0.000 5.102) 5.192 4.254 ( -11.168 0.000 6.966) 13.163 4.313 ( 1.738 0.000 4.265) 4.605 4.523 ( -5.268 0.000 -3.924) 6.569 4.621 ( -1.066 0.000 7.675) 7.748 4.690 ( -2.477 0.000 -3.155) 4.011 4.813 ( -3.231 0.000 0.293) 3.244 4.827 ( 0.289 0.000 -0.187) 0.344 4.942 ( -1.778 0.000 -1.297) 2.201 5.385 ( 10.754 0.000 -9.544) 14.378 5.698 ( 1.041 0.000 2.540) 2.744 5.715 ( -0.852 0.000 3.428) 3.532 5.897 ( 2.117 0.000 3.725) 4.285 6.124 ( -8.899 0.000 -10.920) 14.087 8.333 ( -0.720 0.000 -1.119) 1.330 8.336 ( 4.572 0.000 2.720) 5.320 8.472 ( -2.438 0.000 8.759) 9.092 8.823 ( 2.791 0.000 3.879) 4.779 8.889 ( -6.079 0.000 -7.791) 9.882 8.890 ( 2.483 0.000 -0.240) 2.494 9.994 ( 1.026 0.000 -2.678) 2.867 10.066 ( 5.279 0.000 -1.834) 5.588 10.294 ( 1.249 0.000 1.811) 2.200 10.391 ( 1.208 0.000 -1.541) 1.958 12.907 ( -0.526 0.000 -0.146) 0.546 12.923 ( 3.201 0.000 1.763) 3.655 13.273 ( -2.575 0.000 -0.321) 2.595 13.368 ( 1.922 0.000 -0.360) 1.955 13.722 ( 0.093 0.000 6.174) 6.175 13.730 ( -3.794 0.000 3.999) 5.512 13.844 ( -3.554 0.000 -1.854) 4.008 14.049 ( -5.278 0.000 -7.542) 9.205 14.115 ( 0.099 0.000 -2.939) 2.941 14.170 ( 1.198 0.000 -0.200) 1.214 17.313 ( -0.156 0.000 4.023) 4.026 17.435 ( -1.961 0.000 -2.447) 3.136 23.272 ( -1.160 0.000 2.073) 2.375 23.421 ( -3.514 0.000 -2.367) 4.237 25.018 ( -0.741 0.000 -0.184) 0.763 25.053 ( 1.831 0.000 1.258) 2.222 26.391 ( -1.021 0.000 -0.972) 1.410 26.429 ( 10.073 0.000 -3.997) 10.837 26.476 ( 3.397 0.000 -1.307) 3.640 26.502 ( 5.397 0.000 2.776) 6.069 26.643 ( 0.255 0.000 0.554) 0.610 26.753 ( 5.040 0.000 -0.505) 5.065 27.142 ( -4.982 0.000 1.365) 5.166 27.245 ( -0.587 0.000 -2.820) 2.880 27.814 ( -4.222 0.000 9.814) 10.683 28.175 ( -6.889 0.000 -4.930) 8.472 ======================= Grid point 47 (18/69) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 5.729 0.000 16.624) 17.584 1.130 ( 4.852 0.000 13.149) 14.016 1.217 ( 6.173 0.000 -5.424) 8.218 1.371 ( 4.184 0.000 -9.774) 10.632 1.529 ( -0.976 0.000 3.904) 4.024 1.619 ( 5.202 0.000 1.603) 5.443 1.661 ( 3.347 0.000 3.535) 4.868 1.794 ( -0.050 0.000 -4.092) 4.092 1.809 ( 4.547 0.000 -3.822) 5.941 1.907 ( 2.777 0.000 3.994) 4.864 1.953 ( 2.845 0.000 -2.162) 3.573 2.028 ( 0.546 0.000 -1.928) 2.004 2.054 ( 4.892 0.000 -2.635) 5.557 2.182 ( 3.198 0.000 -0.307) 3.213 2.233 ( 3.713 0.000 11.351) 11.943 2.359 ( 2.543 0.000 -2.288) 3.421 2.364 ( -8.942 0.000 -2.485) 9.281 2.408 ( 1.189 0.000 1.510) 1.922 2.433 ( -0.364 0.000 -1.798) 1.835 2.474 ( 4.257 0.000 -0.902) 4.352 2.572 ( 0.138 0.000 2.851) 2.854 2.616 ( -3.880 0.000 -2.952) 4.875 2.676 ( 0.282 0.000 3.353) 3.364 2.763 ( 0.893 0.000 1.158) 1.462 2.786 ( 0.233 0.000 1.110) 1.134 2.793 ( -0.995 0.000 -4.395) 4.507 2.877 ( 1.960 0.000 -0.666) 2.070 2.914 ( 0.996 0.000 -0.243) 1.025 3.062 ( 0.644 0.000 1.891) 1.997 3.098 ( 0.209 0.000 3.126) 3.133 3.153 ( 0.801 0.000 -6.819) 6.866 3.162 ( -0.268 0.000 2.858) 2.871 3.215 ( -5.836 0.000 -3.921) 7.031 3.300 ( 0.469 0.000 -4.061) 4.088 3.314 ( 3.157 0.000 -3.601) 4.789 3.477 ( -5.132 0.000 2.586) 5.747 3.531 ( 0.621 0.000 0.836) 1.042 3.616 ( -0.304 0.000 -2.682) 2.699 3.762 ( -0.718 0.000 -4.005) 4.069 3.858 ( -0.340 0.000 -0.172) 0.381 4.156 ( -3.154 0.000 2.379) 3.951 4.257 ( -3.303 0.000 7.886) 8.549 4.350 ( 0.321 0.000 -0.919) 0.974 4.386 ( -11.006 0.000 3.529) 11.558 4.594 ( -2.884 0.000 -3.059) 4.204 4.636 ( -4.230 0.000 1.829) 4.608 4.839 ( 2.255 0.000 -1.855) 2.920 4.848 ( 2.923 0.000 4.207) 5.123 4.947 ( 1.875 0.000 3.506) 3.976 5.400 ( 4.748 0.000 -8.066) 9.360 5.709 ( -1.325 0.000 0.066) 1.326 5.723 ( -1.139 0.000 0.869) 1.433 5.838 ( -9.032 0.000 -10.567) 13.901 5.995 ( 0.786 0.000 7.514) 7.555 8.273 ( -3.117 0.000 -3.483) 4.674 8.357 ( -0.399 0.000 -1.437) 1.491 8.571 ( -1.089 0.000 9.338) 9.401 8.717 ( -3.722 0.000 -5.631) 6.750 8.935 ( 3.934 0.000 4.676) 6.111 8.966 ( 5.091 0.000 0.897) 5.170 9.972 ( 0.512 0.000 -2.643) 2.692 10.116 ( 3.993 0.000 -2.176) 4.547 10.356 ( 2.828 0.000 2.136) 3.544 10.417 ( 3.165 0.000 -0.495) 3.203 12.912 ( 0.698 0.000 0.708) 0.994 13.000 ( 3.419 0.000 1.498) 3.733 13.215 ( -3.059 0.000 -1.142) 3.265 13.390 ( 1.342 0.000 -0.313) 1.378 13.696 ( -4.658 0.000 -3.918) 6.086 13.700 ( -6.230 0.000 5.058) 8.025 13.832 ( -0.900 0.000 5.519) 5.592 13.892 ( -3.346 0.000 -6.655) 7.449 14.090 ( 1.460 0.000 -2.944) 3.286 14.166 ( -0.907 0.000 -0.596) 1.085 17.348 ( -0.709 0.000 3.135) 3.214 17.368 ( -2.088 0.000 -2.664) 3.385 23.266 ( -1.704 0.000 0.991) 1.971 23.331 ( -4.068 0.000 -1.547) 4.352 25.010 ( 0.050 0.000 -0.124) 0.134 25.093 ( 1.356 0.000 0.795) 1.572 26.379 ( 1.200 0.000 -1.352) 1.808 26.516 ( 2.327 0.000 -0.112) 2.330 26.532 ( 8.351 0.000 -4.451) 9.463 26.643 ( 6.932 0.000 3.572) 7.798 26.662 ( 1.296 0.000 0.590) 1.424 26.833 ( 5.883 0.000 -2.527) 6.403 27.086 ( -4.045 0.000 1.502) 4.315 27.227 ( 0.095 0.000 0.448) 0.458 27.833 ( -6.023 0.000 8.403) 10.339 27.990 ( -7.681 0.000 -5.576) 9.492 ======================= Grid point 48 (19/69) ======================= q-point: ( 0.33 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -0.358 0.000 9.472) 9.479 1.314 ( 3.044 0.000 -9.165) 9.657 1.315 ( 12.985 0.000 -5.162) 13.973 1.329 ( 5.233 0.000 7.200) 8.900 1.587 ( 0.562 0.000 7.942) 7.961 1.676 ( 0.717 0.000 -6.760) 6.798 1.723 ( 0.478 0.000 1.850) 1.911 1.764 ( 3.462 0.000 -3.358) 4.823 1.779 ( 0.197 0.000 0.268) 0.333 1.934 ( 4.550 0.000 1.077) 4.675 2.013 ( -0.097 0.000 6.558) 6.558 2.060 ( 0.865 0.000 -3.851) 3.947 2.115 ( 3.321 0.000 1.745) 3.752 2.207 ( -7.123 0.000 -0.237) 7.127 2.210 ( -2.252 0.000 -1.645) 2.789 2.371 ( -4.369 0.000 0.188) 4.373 2.372 ( -0.514 0.000 0.372) 0.634 2.414 ( 4.039 0.000 0.126) 4.041 2.420 ( 1.816 0.000 -1.128) 2.138 2.503 ( -5.935 0.000 -1.556) 6.135 2.561 ( 3.300 0.000 -1.572) 3.655 2.655 ( 5.987 0.000 2.239) 6.393 2.671 ( 1.150 0.000 -3.044) 3.254 2.741 ( 2.320 0.000 -2.722) 3.576 2.823 ( 3.951 0.000 -0.445) 3.976 2.828 ( 6.087 0.000 3.432) 6.988 2.904 ( 0.751 0.000 -1.463) 1.644 2.910 ( -3.807 0.000 3.454) 5.140 3.055 ( -1.147 0.000 -2.379) 2.641 3.089 ( -4.055 0.000 0.234) 4.062 3.092 ( 1.586 0.000 -2.186) 2.701 3.152 ( -2.713 0.000 3.418) 4.364 3.163 ( -1.425 0.000 1.474) 2.050 3.236 ( -1.762 0.000 -2.770) 3.283 3.348 ( 6.548 0.000 -6.541) 9.255 3.453 ( -2.674 0.000 2.125) 3.415 3.533 ( -0.908 0.000 -0.453) 1.015 3.586 ( -0.757 0.000 -1.160) 1.385 3.757 ( 3.390 0.000 -0.563) 3.436 3.833 ( -0.977 0.000 -1.195) 1.544 4.145 ( -1.903 0.000 2.588) 3.212 4.226 ( -13.687 0.000 4.306) 14.348 4.267 ( -4.342 0.000 4.253) 6.078 4.329 ( 0.938 0.000 -3.231) 3.364 4.543 ( -0.982 0.000 -0.505) 1.104 4.585 ( -1.836 0.000 -0.234) 1.851 4.843 ( 1.032 0.000 -2.121) 2.359 4.978 ( 5.074 0.000 4.586) 6.839 5.050 ( 0.739 0.000 8.175) 8.209 5.358 ( 2.665 0.000 -9.599) 9.962 5.575 ( -5.895 0.000 -4.814) 7.611 5.688 ( -0.508 0.000 -0.972) 1.097 5.743 ( -1.727 0.000 1.528) 2.306 6.072 ( -1.751 0.000 6.011) 6.261 8.174 ( -3.055 0.000 -3.046) 4.313 8.339 ( -0.329 0.000 0.013) 0.329 8.612 ( -3.096 0.000 3.292) 4.519 8.652 ( 0.249 0.000 -1.494) 1.515 9.029 ( 2.124 0.000 1.613) 2.667 9.037 ( 3.994 0.000 -2.699) 4.820 9.968 ( 0.490 0.000 1.326) 1.414 10.160 ( 2.695 0.000 0.670) 2.777 10.416 ( 2.019 0.000 0.745) 2.152 10.466 ( 2.911 0.000 -0.358) 2.933 12.931 ( 0.434 0.000 0.020) 0.435 13.053 ( 1.975 0.000 -0.616) 2.069 13.159 ( -1.921 0.000 -1.028) 2.179 13.416 ( 2.564 0.000 -0.035) 2.565 13.562 ( -4.248 0.000 -4.986) 6.550 13.653 ( -5.155 0.000 3.619) 6.298 13.795 ( -1.773 0.000 -2.338) 2.934 13.870 ( -1.739 0.000 4.225) 4.569 14.099 ( 2.600 0.000 -1.516) 3.010 14.140 ( -1.174 0.000 -0.490) 1.272 17.317 ( -0.736 0.000 -1.738) 1.887 17.361 ( -1.093 0.000 1.569) 1.912 23.244 ( -1.315 0.000 -0.269) 1.342 23.260 ( -2.483 0.000 -1.219) 2.766 25.015 ( 0.406 0.000 0.187) 0.447 25.113 ( 0.613 0.000 -0.098) 0.620 26.399 ( 2.612 0.000 -0.750) 2.718 26.550 ( 0.577 0.000 1.702) 1.798 26.596 ( 4.878 0.000 -3.257) 5.865 26.697 ( 2.143 0.000 0.516) 2.204 26.798 ( 6.125 0.000 3.676) 7.143 26.876 ( 3.669 0.000 -2.873) 4.660 27.044 ( -3.377 0.000 1.798) 3.826 27.246 ( -0.051 0.000 1.900) 1.901 27.810 ( -5.369 0.000 -5.831) 7.926 27.817 ( -5.241 0.000 4.247) 6.746 ======================= Grid point 49 (20/69) ======================= q-point: ( 0.44 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -4.956 0.000 2.290) 5.460 1.306 ( 4.117 0.000 -1.628) 4.428 1.459 ( 0.239 0.000 2.888) 2.898 1.526 ( -0.756 0.000 -6.706) 6.749 1.550 ( 15.556 0.000 -1.382) 15.617 1.648 ( 0.724 0.000 -1.658) 1.809 1.704 ( -3.857 0.000 -0.194) 3.862 1.821 ( 4.530 0.000 -0.321) 4.542 1.886 ( -11.872 0.000 -4.273) 12.618 1.889 ( 2.366 0.000 13.082) 13.294 2.071 ( 1.482 0.000 1.874) 2.389 2.093 ( 1.058 0.000 -1.043) 1.486 2.139 ( 1.037 0.000 3.466) 3.618 2.139 ( -1.798 0.000 2.759) 3.293 2.159 ( -0.377 0.000 1.632) 1.675 2.263 ( -1.694 0.000 1.194) 2.073 2.345 ( -0.826 0.000 -1.799) 1.979 2.461 ( -0.374 0.000 1.635) 1.677 2.480 ( -0.630 0.000 3.254) 3.314 2.492 ( 2.879 0.000 -2.279) 3.672 2.633 ( 6.578 0.000 -1.040) 6.659 2.648 ( -0.436 0.000 -1.898) 1.947 2.649 ( 2.053 0.000 -2.658) 3.358 2.773 ( 9.218 0.000 -8.482) 12.526 2.819 ( -2.456 0.000 -3.031) 3.901 2.837 ( -8.301 0.000 1.466) 8.430 2.924 ( 0.635 0.000 2.053) 2.149 2.962 ( -1.597 0.000 -3.675) 4.007 3.007 ( -0.068 0.000 -3.302) 3.303 3.031 ( -0.945 0.000 1.427) 1.711 3.127 ( -0.575 0.000 2.503) 2.568 3.159 ( -2.861 0.000 -1.489) 3.225 3.161 ( 0.330 0.000 3.068) 3.086 3.206 ( 1.943 0.000 3.603) 4.093 3.367 ( 6.548 0.000 -7.813) 10.194 3.407 ( -1.552 0.000 -1.874) 2.433 3.492 ( -2.333 0.000 -1.581) 2.818 3.585 ( 2.410 0.000 -0.532) 2.468 3.823 ( 1.778 0.000 2.349) 2.945 3.835 ( 1.750 0.000 1.165) 2.102 4.071 ( -8.931 0.000 2.869) 9.380 4.140 ( -2.644 0.000 2.158) 3.413 4.227 ( -3.543 0.000 0.872) 3.648 4.316 ( 1.803 0.000 -3.096) 3.583 4.541 ( 0.215 0.000 1.075) 1.096 4.575 ( -0.733 0.000 1.623) 1.780 4.829 ( 0.637 0.000 -2.374) 2.458 5.000 ( -2.539 0.000 -6.286) 6.779 5.134 ( -3.143 0.000 9.240) 9.760 5.390 ( 9.899 0.000 1.680) 10.040 5.517 ( -0.399 0.000 1.746) 1.791 5.669 ( -0.051 0.000 -1.609) 1.609 5.734 ( -1.551 0.000 1.528) 2.178 6.062 ( -4.417 0.000 0.896) 4.507 8.135 ( 0.872 0.000 0.149) 0.885 8.353 ( 0.465 0.000 2.066) 2.118 8.553 ( -4.004 0.000 -2.712) 4.836 8.664 ( 1.256 0.000 0.840) 1.511 9.027 ( 1.818 0.000 -6.939) 7.173 9.030 ( -1.029 0.000 -2.839) 3.020 10.024 ( 0.573 0.000 6.265) 6.291 10.219 ( 1.069 0.000 3.657) 3.810 10.436 ( 0.421 0.000 -0.712) 0.827 10.493 ( 1.088 0.000 -1.023) 1.494 12.916 ( -0.299 0.000 -2.358) 2.377 13.043 ( 0.080 0.000 -3.846) 3.847 13.137 ( -0.033 0.000 0.012) 0.035 13.432 ( -0.791 0.000 -4.691) 4.757 13.513 ( 3.143 0.000 2.997) 4.343 13.627 ( -2.974 0.000 3.433) 4.542 13.783 ( 0.850 0.000 1.555) 1.772 13.873 ( -2.740 0.000 2.608) 3.783 14.124 ( -0.165 0.000 -0.279) 0.324 14.129 ( 1.996 0.000 -0.271) 2.014 17.305 ( 0.727 0.000 -0.467) 0.864 17.350 ( -1.372 0.000 -0.011) 1.372 23.221 ( -0.389 0.000 -1.006) 1.079 23.222 ( -0.584 0.000 -1.155) 1.294 25.024 ( 0.095 0.000 0.434) 0.445 25.113 ( 0.104 0.000 -0.893) 0.899 26.439 ( 2.240 0.000 0.278) 2.257 26.574 ( -1.173 0.000 3.330) 3.530 26.618 ( 2.369 0.000 -2.988) 3.813 26.735 ( 1.138 0.000 0.859) 1.426 26.908 ( 3.401 0.000 -0.871) 3.511 26.908 ( 1.063 0.000 4.106) 4.241 27.018 ( -2.010 0.000 1.587) 2.561 27.264 ( -0.667 0.000 2.484) 2.572 27.705 ( 0.897 0.000 -4.843) 4.926 27.741 ( -5.494 0.000 -2.684) 6.115 ======================= Grid point 50 (21/69) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -6.942 0.000 0.373) 6.953 1.257 ( -9.415 0.000 -6.367) 11.366 1.412 ( -1.779 0.000 8.204) 8.394 1.514 ( -9.208 0.000 -4.382) 10.198 1.582 ( 3.725 0.000 -0.143) 3.728 1.659 ( -6.850 0.000 -6.689) 9.574 1.707 ( 7.113 0.000 -0.440) 7.127 1.810 ( 7.885 0.000 2.966) 8.424 1.896 ( 2.702 0.000 2.183) 3.474 1.977 ( -5.960 0.000 4.329) 7.366 2.074 ( -1.803 0.000 5.727) 6.005 2.109 ( 2.872 0.000 -2.019) 3.510 2.156 ( -0.359 0.000 5.635) 5.647 2.172 ( 3.077 0.000 0.154) 3.081 2.239 ( 3.261 0.000 3.882) 5.070 2.324 ( -1.083 0.000 1.290) 1.684 2.372 ( -0.918 0.000 3.052) 3.187 2.437 ( -2.044 0.000 -0.608) 2.133 2.471 ( 3.331 0.000 -2.450) 4.135 2.521 ( 2.891 0.000 1.933) 3.477 2.574 ( -8.740 0.000 -3.012) 9.244 2.628 ( -13.089 0.000 -7.160) 14.919 2.672 ( 0.644 0.000 -1.684) 1.803 2.707 ( -3.164 0.000 -5.011) 5.927 2.758 ( 7.162 0.000 -2.078) 7.458 2.802 ( -4.018 0.000 1.505) 4.290 2.856 ( 9.309 0.000 -5.549) 10.837 2.912 ( -1.348 0.000 1.111) 1.747 2.970 ( -2.915 0.000 -0.638) 2.984 3.003 ( 3.677 0.000 -3.543) 5.106 3.124 ( -2.648 0.000 3.133) 4.102 3.170 ( -1.711 0.000 2.813) 3.292 3.231 ( 3.697 0.000 1.685) 4.063 3.273 ( -0.135 0.000 2.607) 2.610 3.392 ( 0.541 0.000 -1.886) 1.963 3.399 ( 7.030 0.000 -5.849) 9.145 3.437 ( 1.185 0.000 -3.203) 3.415 3.644 ( 3.734 0.000 0.061) 3.734 3.837 ( -1.309 0.000 1.082) 1.698 3.893 ( 2.213 0.000 1.846) 2.882 4.035 ( -0.587 0.000 3.561) 3.609 4.102 ( -3.059 0.000 -0.091) 3.060 4.178 ( -2.744 0.000 -0.687) 2.828 4.316 ( 2.348 0.000 -2.452) 3.395 4.578 ( 1.767 0.000 2.628) 3.166 4.585 ( -0.285 0.000 0.987) 1.027 4.818 ( 1.320 0.000 -1.767) 2.206 4.862 ( -3.367 0.000 -5.978) 6.861 5.159 ( -6.768 0.000 8.844) 11.137 5.510 ( 1.847 0.000 0.700) 1.975 5.647 ( 0.117 0.000 -2.343) 2.346 5.677 ( 10.528 0.000 3.834) 11.204 5.745 ( 1.307 0.000 6.128) 6.265 5.970 ( -4.190 0.000 -2.972) 5.137 8.200 ( 4.337 0.000 2.535) 5.024 8.375 ( -0.037 0.000 -3.233) 3.233 8.450 ( -3.411 0.000 0.035) 3.412 8.710 ( 2.242 0.000 2.284) 3.201 8.943 ( -3.219 0.000 -5.030) 5.972 8.950 ( 0.056 0.000 -7.849) 7.849 10.115 ( -0.380 0.000 8.240) 8.248 10.272 ( -0.742 0.000 4.816) 4.873 10.410 ( -1.710 0.000 -2.129) 2.731 10.478 ( -0.736 0.000 -1.762) 1.910 12.886 ( 0.264 0.000 -2.117) 2.133 12.980 ( -0.622 0.000 -5.481) 5.516 13.156 ( 1.369 0.000 1.275) 1.871 13.362 ( -0.264 0.000 -4.828) 4.836 13.627 ( -2.011 0.000 3.015) 3.624 13.627 ( 4.096 0.000 3.981) 5.712 13.845 ( -3.231 0.000 1.505) 3.565 13.855 ( 4.009 0.000 3.388) 5.248 14.126 ( 0.918 0.000 -0.564) 1.078 14.151 ( 0.822 0.000 -0.076) 0.826 17.318 ( -1.554 0.000 -1.099) 1.903 17.328 ( 2.014 0.000 0.461) 2.066 23.209 ( 0.491 0.000 -1.214) 1.309 23.213 ( 1.238 0.000 -1.456) 1.912 25.028 ( -0.339 0.000 0.702) 0.779 25.097 ( -0.327 0.000 -1.349) 1.388 26.466 ( -0.074 0.000 0.930) 0.933 26.590 ( -2.038 0.000 3.985) 4.476 26.604 ( 0.574 0.000 -3.880) 3.923 26.745 ( -1.710 0.000 1.364) 2.187 26.915 ( -3.847 0.000 2.019) 4.345 26.969 ( 3.032 0.000 1.573) 3.416 27.032 ( -0.603 0.000 4.525) 4.565 27.286 ( -0.999 0.000 3.454) 3.595 27.581 ( -4.683 0.000 -8.969) 10.118 27.732 ( 7.749 0.000 -3.591) 8.541 ======================= Grid point 51 (22/69) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -17.082 0.000 -0.803) 17.101 1.067 ( -13.371 0.000 0.026) 13.371 1.285 ( -8.161 0.000 -6.879) 10.673 1.467 ( -0.863 0.000 5.358) 5.428 1.529 ( -1.302 0.000 -3.398) 3.639 1.628 ( -1.056 0.000 0.751) 1.296 1.708 ( -7.086 0.000 0.941) 7.148 1.894 ( -2.092 0.000 1.273) 2.449 1.946 ( -23.043 0.000 -11.852) 25.912 1.963 ( 3.964 0.000 2.048) 4.462 2.045 ( 5.920 0.000 3.531) 6.893 2.111 ( -0.829 0.000 -1.715) 1.905 2.115 ( -1.322 0.000 3.533) 3.772 2.199 ( 1.501 0.000 6.146) 6.327 2.292 ( -3.515 0.000 5.085) 6.182 2.297 ( 0.298 0.000 -1.678) 1.704 2.330 ( 1.870 0.000 0.721) 2.004 2.401 ( 0.941 0.000 -4.364) 4.465 2.416 ( 1.395 0.000 -2.893) 3.211 2.514 ( 0.802 0.000 7.035) 7.080 2.533 ( -4.781 0.000 -6.367) 7.962 2.604 ( 3.866 0.000 -3.511) 5.223 2.654 ( 3.292 0.000 3.060) 4.495 2.659 ( -4.104 0.000 -0.198) 4.109 2.726 ( -2.436 0.000 0.071) 2.437 2.857 ( -2.176 0.000 0.365) 2.207 2.875 ( 6.041 0.000 -3.196) 6.834 2.923 ( -0.123 0.000 0.572) 0.585 3.035 ( 2.747 0.000 -1.972) 3.381 3.051 ( 11.687 0.000 1.626) 11.799 3.125 ( -1.830 0.000 3.702) 4.130 3.128 ( -6.537 0.000 0.866) 6.594 3.254 ( 0.014 0.000 -4.692) 4.692 3.303 ( 3.455 0.000 -0.171) 3.459 3.353 ( -1.238 0.000 1.332) 1.818 3.447 ( 4.905 0.000 -3.280) 5.900 3.466 ( 3.269 0.000 -3.237) 4.600 3.663 ( -0.449 0.000 -0.159) 0.477 3.869 ( 5.062 0.000 -1.488) 5.276 3.933 ( 0.010 0.000 0.958) 0.958 4.065 ( -0.591 0.000 0.570) 0.821 4.088 ( 0.806 0.000 3.760) 3.845 4.123 ( -2.770 0.000 -0.477) 2.811 4.351 ( 4.583 0.000 -0.437) 4.604 4.579 ( -0.730 0.000 -0.426) 0.846 4.660 ( 3.762 0.000 3.321) 5.018 4.774 ( -1.453 0.000 -2.247) 2.676 4.836 ( 2.051 0.000 -0.215) 2.062 5.114 ( -8.936 0.000 5.841) 10.676 5.545 ( 1.692 0.000 0.470) 1.756 5.618 ( 0.278 0.000 -3.124) 3.136 5.721 ( 0.841 0.000 -1.140) 1.417 5.888 ( -1.310 0.000 -2.628) 2.936 6.023 ( 12.054 0.000 9.967) 15.641 8.254 ( -2.387 0.000 -8.985) 9.296 8.303 ( 3.617 0.000 2.246) 4.257 8.463 ( -2.006 0.000 4.518) 4.944 8.781 ( 4.217 0.000 -1.565) 4.498 8.833 ( -3.185 0.000 -3.679) 4.866 8.889 ( 1.047 0.000 -0.413) 1.126 10.181 ( -2.836 0.000 6.661) 7.240 10.293 ( -3.916 0.000 2.624) 4.714 10.337 ( -2.593 0.000 -1.753) 3.130 10.440 ( -0.865 0.000 -1.509) 1.740 12.883 ( 0.915 0.000 -0.062) 0.917 12.907 ( -0.529 0.000 -4.910) 4.938 13.205 ( 1.890 0.000 2.214) 2.912 13.314 ( 1.253 0.000 -4.748) 4.911 13.621 ( -1.578 0.000 0.665) 1.713 13.689 ( -0.727 0.000 0.135) 0.739 13.838 ( 0.268 0.000 3.275) 3.286 13.969 ( 4.732 0.000 1.997) 5.137 14.132 ( 1.096 0.000 -1.711) 2.032 14.161 ( 1.050 0.000 0.108) 1.055 17.278 ( -1.556 0.000 -1.228) 1.982 17.378 ( 2.986 0.000 0.785) 3.087 23.209 ( 0.945 0.000 -0.969) 1.354 23.224 ( 2.621 0.000 -2.361) 3.528 25.031 ( -0.465 0.000 1.076) 1.172 25.071 ( -0.935 0.000 -1.423) 1.703 26.456 ( -2.385 0.000 1.096) 2.625 26.543 ( -1.733 0.000 -4.643) 4.956 26.599 ( -2.161 0.000 3.433) 4.056 26.716 ( -3.406 0.000 1.482) 3.714 26.870 ( -2.225 0.000 -0.515) 2.284 26.995 ( -4.383 0.000 1.222) 4.550 27.096 ( -1.572 0.000 9.654) 9.781 27.310 ( -1.141 0.000 5.224) 5.347 27.442 ( 3.513 0.000 -10.612) 11.178 27.839 ( 9.790 0.000 -4.288) 10.688 ======================= Grid point 52 (23/69) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -20.732 0.000 2.932) 20.939 0.744 ( -21.416 0.000 -3.179) 21.651 1.166 ( -1.757 0.000 -0.970) 2.007 1.233 ( -34.798 0.000 -1.618) 34.836 1.521 ( 2.093 0.000 0.274) 2.111 1.522 ( -0.837 0.000 5.169) 5.237 1.660 ( -2.001 0.000 2.984) 3.593 1.726 ( 0.051 0.000 -0.354) 0.358 1.845 ( -3.608 0.000 0.268) 3.617 1.973 ( -2.145 0.000 -5.065) 5.501 2.058 ( -4.400 0.000 -1.061) 4.526 2.084 ( -1.186 0.000 1.301) 1.760 2.196 ( 2.083 0.000 4.337) 4.811 2.248 ( 1.188 0.000 0.230) 1.211 2.295 ( -3.948 0.000 0.546) 3.986 2.316 ( -2.030 0.000 -0.662) 2.135 2.377 ( 5.252 0.000 1.078) 5.362 2.411 ( 0.380 0.000 -3.340) 3.362 2.427 ( 7.739 0.000 2.460) 8.121 2.430 ( 2.124 0.000 -0.821) 2.277 2.510 ( -5.606 0.000 -3.649) 6.689 2.563 ( -3.222 0.000 -2.060) 3.825 2.631 ( -1.158 0.000 0.980) 1.517 2.698 ( 1.239 0.000 5.211) 5.356 2.766 ( 1.034 0.000 2.949) 3.125 2.859 ( 0.661 0.000 1.247) 1.411 2.862 ( -0.493 0.000 -5.254) 5.277 2.947 ( 1.787 0.000 0.015) 1.787 2.998 ( -6.771 0.000 -3.479) 7.613 3.062 ( 1.790 0.000 0.708) 1.924 3.129 ( -0.892 0.000 2.105) 2.286 3.200 ( -0.061 0.000 -0.175) 0.186 3.249 ( 7.625 0.000 -1.675) 7.807 3.322 ( -0.548 0.000 0.473) 0.724 3.390 ( 2.147 0.000 -0.115) 2.150 3.446 ( 1.077 0.000 -4.801) 4.920 3.485 ( 2.806 0.000 -0.872) 2.938 3.683 ( 5.119 0.000 -2.133) 5.546 3.901 ( -1.686 0.000 -3.106) 3.534 3.938 ( 5.727 0.000 -1.980) 6.060 4.085 ( -1.957 0.000 0.806) 2.117 4.123 ( 1.053 0.000 8.728) 8.791 4.127 ( -2.127 0.000 4.815) 5.264 4.438 ( 4.240 0.000 -0.549) 4.275 4.579 ( 2.050 0.000 0.767) 2.188 4.732 ( -0.600 0.000 1.222) 1.361 4.779 ( 4.646 0.000 -0.258) 4.653 4.869 ( 0.855 0.000 1.692) 1.896 5.024 ( -6.604 0.000 1.776) 6.839 5.574 ( 1.871 0.000 -0.920) 2.085 5.585 ( 0.174 0.000 -2.850) 2.855 5.698 ( 0.296 0.000 -5.860) 5.867 5.863 ( 0.506 0.000 -1.135) 1.242 6.316 ( 10.204 0.000 8.226) 13.107 8.135 ( -1.536 0.000 -4.701) 4.945 8.343 ( -0.229 0.000 0.073) 0.241 8.457 ( -3.499 0.000 2.771) 4.463 8.772 ( -1.513 0.000 -0.405) 1.566 8.815 ( 5.219 0.000 -2.718) 5.884 8.983 ( 4.602 0.000 4.093) 6.159 10.167 ( -5.074 0.000 2.621) 5.711 10.177 ( -6.551 0.000 -3.518) 7.436 10.320 ( -2.383 0.000 2.424) 3.400 10.429 ( 0.446 0.000 0.058) 0.450 12.857 ( -0.086 0.000 -2.332) 2.333 12.909 ( 0.893 0.000 1.497) 1.743 13.263 ( 1.330 0.000 2.942) 3.229 13.294 ( 2.664 0.000 -4.209) 4.981 13.575 ( -1.897 0.000 -4.580) 4.958 13.643 ( -3.073 0.000 -0.391) 3.098 13.900 ( 1.288 0.000 3.293) 3.536 14.002 ( 0.408 0.000 -3.427) 3.451 14.121 ( 1.347 0.000 -3.259) 3.527 14.224 ( 4.461 0.000 2.511) 5.119 17.245 ( -1.214 0.000 -0.299) 1.250 17.436 ( 2.989 0.000 0.377) 3.013 23.217 ( 0.940 0.000 -0.201) 0.961 23.231 ( 2.154 0.000 -3.674) 4.259 25.036 ( -1.354 0.000 -1.073) 1.728 25.038 ( -0.477 0.000 1.286) 1.371 26.423 ( -2.528 0.000 0.663) 2.614 26.454 ( -2.458 0.000 -3.742) 4.477 26.597 ( -2.769 0.000 2.774) 3.920 26.679 ( -2.760 0.000 1.062) 2.958 26.819 ( -0.796 0.000 -5.425) 5.483 26.853 ( -9.412 0.000 -2.160) 9.656 27.223 ( -0.365 0.000 16.128) 16.132 27.379 ( 1.126 0.000 1.192) 1.640 27.449 ( 7.262 0.000 -1.673) 7.452 27.923 ( 7.010 0.000 -5.846) 9.128 ======================= Grid point 53 (24/69) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.397 ( -19.444 0.000 8.040) 21.040 0.402 ( -18.711 0.000 8.731) 20.648 0.776 ( -31.354 0.000 23.809) 39.370 1.167 ( -0.558 0.000 3.446) 3.491 1.539 ( -2.934 0.000 2.885) 4.115 1.595 ( 3.130 0.000 3.971) 5.056 1.664 ( 0.223 0.000 -0.228) 0.319 1.779 ( 1.038 0.000 1.895) 2.161 1.784 ( -4.031 0.000 -3.331) 5.229 1.861 ( -1.064 0.000 -3.740) 3.888 1.956 ( -2.445 0.000 -3.911) 4.613 2.034 ( -0.742 0.000 -5.850) 5.897 2.183 ( -2.408 0.000 -4.609) 5.201 2.227 ( -0.513 0.000 2.493) 2.546 2.293 ( 1.984 0.000 -0.823) 2.148 2.338 ( -0.289 0.000 3.139) 3.152 2.362 ( -5.771 0.000 1.025) 5.862 2.416 ( -4.993 0.000 -3.563) 6.134 2.422 ( 1.248 0.000 0.483) 1.339 2.503 ( 3.246 0.000 1.247) 3.478 2.591 ( 5.913 0.000 2.964) 6.615 2.632 ( -0.631 0.000 0.879) 1.082 2.639 ( 13.221 0.000 13.258) 18.724 2.705 ( -2.551 0.000 -0.031) 2.551 2.769 ( -0.985 0.000 -0.504) 1.107 2.844 ( -1.668 0.000 -1.367) 2.156 2.870 ( 0.874 0.000 -1.503) 1.738 2.879 ( 0.494 0.000 -1.143) 1.245 2.983 ( 0.809 0.000 2.105) 2.255 3.094 ( 0.777 0.000 0.337) 0.847 3.135 ( 0.590 0.000 -1.163) 1.304 3.208 ( -2.770 0.000 -4.982) 5.701 3.244 ( 1.097 0.000 2.636) 2.856 3.352 ( 2.952 0.000 -3.039) 4.237 3.390 ( 1.638 0.000 -2.439) 2.938 3.433 ( 0.503 0.000 3.385) 3.423 3.512 ( 0.366 0.000 0.652) 0.747 3.745 ( 6.080 0.000 -5.396) 8.129 3.833 ( -0.371 0.000 -4.727) 4.741 4.005 ( 3.885 0.000 -2.000) 4.370 4.073 ( -2.003 0.000 3.076) 3.671 4.139 ( -2.850 0.000 5.575) 6.262 4.392 ( 15.723 0.000 24.390) 29.018 4.468 ( 0.167 0.000 2.810) 2.815 4.636 ( 2.892 0.000 -1.501) 3.258 4.727 ( -1.072 0.000 0.915) 1.409 4.799 ( -0.155 0.000 -6.732) 6.734 4.906 ( -1.705 0.000 3.714) 4.087 4.957 ( -1.020 0.000 -0.869) 1.340 5.453 ( -11.315 0.000 -22.522) 25.205 5.575 ( 1.177 0.000 0.306) 1.216 5.618 ( -0.382 0.000 0.613) 0.722 5.863 ( 0.648 0.000 -0.856) 1.073 6.508 ( 5.505 0.000 -2.628) 6.100 8.111 ( 0.421 0.000 1.377) 1.439 8.327 ( -0.747 0.000 -0.038) 0.748 8.445 ( -2.996 0.000 4.852) 5.703 8.755 ( -0.672 0.000 0.402) 0.783 8.879 ( 3.617 0.000 -0.868) 3.720 9.075 ( 3.062 0.000 -0.602) 3.121 10.044 ( -4.009 0.000 -2.777) 4.877 10.091 ( -4.947 0.000 -1.879) 5.292 10.301 ( -2.482 0.000 1.322) 2.812 10.441 ( 0.571 0.000 -0.728) 0.925 12.861 ( 0.375 0.000 1.655) 1.697 12.933 ( -0.209 0.000 1.155) 1.173 13.303 ( -0.770 0.000 1.172) 1.402 13.303 ( 3.504 0.000 -2.905) 4.551 13.497 ( 2.257 0.000 3.679) 4.316 13.609 ( -1.921 0.000 2.417) 3.088 13.938 ( -0.937 0.000 2.182) 2.374 13.965 ( -0.031 0.000 0.419) 0.420 14.112 ( 2.882 0.000 -3.544) 4.568 14.317 ( 3.955 0.000 -0.621) 4.003 17.234 ( -0.531 0.000 1.014) 1.144 17.476 ( 1.772 0.000 -0.500) 1.841 23.234 ( 2.742 0.000 3.933) 4.794 23.235 ( 0.592 0.000 1.008) 1.169 25.009 ( -0.735 0.000 -0.353) 0.816 25.042 ( -0.763 0.000 0.982) 1.243 26.394 ( -0.542 0.000 -1.960) 2.034 26.401 ( -0.234 0.000 -0.245) 0.339 26.555 ( -5.935 0.000 1.552) 6.134 26.627 ( -7.876 0.000 -12.042) 14.389 26.662 ( -4.429 0.000 -2.154) 4.925 26.716 ( -3.216 0.000 -1.467) 3.534 27.361 ( 1.286 0.000 -5.816) 5.957 27.398 ( 0.856 0.000 -1.457) 1.690 27.596 ( 4.064 0.000 7.815) 8.809 28.028 ( 11.134 0.000 12.361) 16.636 ======================= Grid point 54 (25/69) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -1.716 15.120 10.685) 18.594 0.696 ( -3.951 14.612 14.981) 21.297 1.205 ( -0.797 23.869 18.371) 30.131 1.253 ( 1.000 4.306 6.043) 7.487 1.452 ( -3.504 -3.323 -0.804) 4.895 1.567 ( -4.024 -5.770 -2.632) 7.511 1.620 ( 1.414 -4.106 -0.936) 4.443 1.683 ( -1.753 0.883 -2.048) 2.837 1.740 ( 2.115 1.885 -1.251) 3.096 1.873 ( -0.097 -1.905 -0.027) 1.908 1.919 ( 4.345 1.568 2.014) 5.039 1.980 ( 2.807 -0.925 -0.351) 2.977 2.096 ( -1.195 -3.681 -4.673) 6.067 2.151 ( 0.856 -2.647 -2.933) 4.043 2.211 ( -0.562 -3.549 -1.003) 3.731 2.268 ( -2.061 -1.515 -2.965) 3.916 2.315 ( -0.659 -2.287 -1.712) 2.932 2.454 ( 1.648 -2.049 -0.172) 2.635 2.463 ( -2.699 1.434 2.195) 3.763 2.548 ( 0.796 -1.086 -0.791) 1.561 2.573 ( 1.111 1.922 1.274) 2.560 2.605 ( -2.340 0.325 0.605) 2.439 2.692 ( -0.547 -3.830 -0.096) 3.870 2.738 ( -0.059 3.218 1.256) 3.455 2.780 ( -3.387 2.529 -0.549) 4.262 2.847 ( -2.143 -0.357 -1.818) 2.832 2.854 ( 2.483 -0.451 4.408) 5.079 2.915 ( 6.198 -0.362 2.448) 6.674 2.968 ( -1.617 -0.848 2.139) 2.812 3.034 ( -0.978 -2.194 -2.910) 3.773 3.046 ( 1.376 -5.465 -0.203) 5.639 3.186 ( 0.323 0.751 -1.540) 1.743 3.236 ( 0.158 -0.812 1.062) 1.346 3.351 ( 2.016 1.267 -4.099) 4.740 3.425 ( 1.170 -1.189 1.516) 2.254 3.449 ( -3.237 -2.426 1.485) 4.310 3.530 ( 0.504 0.211 -1.019) 1.156 3.702 ( 1.549 -2.947 -6.048) 6.903 3.811 ( 2.510 1.928 -2.672) 4.143 3.902 ( -0.073 -1.801 -2.148) 2.804 4.161 ( -3.721 1.424 5.341) 6.663 4.234 ( -4.555 -4.836 7.146) 9.757 4.269 ( 2.519 2.641 3.446) 5.019 4.534 ( 0.323 -7.362 -4.663) 8.721 4.707 ( -1.281 -1.286 1.047) 2.096 4.724 ( -3.343 3.865 1.082) 5.223 4.778 ( 1.839 -1.688 3.213) 4.068 4.861 ( -3.125 -4.628 0.929) 5.661 5.118 ( -1.237 8.286 -3.600) 9.119 5.369 ( 8.901 6.793 -9.454) 14.654 5.623 ( 0.188 -1.266 1.872) 2.267 5.653 ( 0.469 -0.811 3.271) 3.402 5.825 ( 0.066 1.184 2.451) 2.722 6.397 ( -3.783 -2.999 -13.574) 14.407 8.216 ( 3.378 2.178 3.199) 5.137 8.322 ( -0.320 -0.892 -0.093) 0.952 8.519 ( -3.444 6.666 6.680) 10.046 8.736 ( 0.063 -0.989 0.547) 1.132 8.860 ( -0.516 -3.050 -0.614) 3.154 9.055 ( -0.162 -1.399 -3.040) 3.350 10.000 ( 0.074 -0.124 -1.833) 1.838 10.022 ( 0.880 0.408 -1.569) 1.845 10.294 ( -0.581 1.176 1.091) 1.706 10.398 ( -0.049 -1.073 -1.086) 1.528 12.888 ( 1.028 1.559 0.807) 2.034 12.940 ( -0.262 0.860 0.015) 0.899 13.293 ( -0.781 -0.185 1.082) 1.347 13.357 ( 1.065 1.166 0.791) 1.766 13.540 ( -0.738 -1.774 2.359) 3.042 13.753 ( 2.880 3.142 0.287) 4.272 13.888 ( -3.468 -1.526 0.769) 3.866 14.057 ( 3.851 -3.620 -5.297) 7.482 14.179 ( 1.127 0.389 -2.122) 2.434 14.244 ( -1.793 -1.804 -7.401) 7.826 17.315 ( 0.754 4.245 4.054) 5.918 17.513 ( 0.894 0.872 0.806) 1.486 23.285 ( 0.180 2.669 1.807) 3.228 23.477 ( 3.175 0.364 -3.215) 4.533 25.015 ( 0.891 0.176 0.823) 1.226 25.035 ( -0.514 -0.074 0.542) 0.750 26.334 ( -0.459 -0.159 0.574) 0.752 26.385 ( 1.213 -1.919 0.929) 2.453 26.451 ( 3.720 1.764 -2.910) 5.041 26.480 ( -2.684 0.847 -1.175) 3.050 26.661 ( -1.801 1.933 1.040) 2.840 26.751 ( 0.773 2.384 -1.275) 2.812 27.191 ( -5.396 -3.124 -0.311) 6.243 27.242 ( 0.139 -4.050 -4.731) 6.229 27.795 ( 0.230 4.888 7.283) 8.774 28.172 ( 1.090 -6.742 1.786) 7.059 ======================= Grid point 55 (26/69) ======================= q-point: ( 0.11 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 4.973 7.565 16.267) 18.616 0.901 ( 9.432 6.898 14.279) 18.451 1.237 ( -2.921 1.683 -0.099) 3.373 1.369 ( 4.467 -5.732 -3.737) 8.172 1.439 ( 1.608 5.056 5.293) 7.495 1.575 ( -0.101 5.822 5.283) 7.862 1.624 ( 1.696 1.084 0.183) 2.021 1.671 ( 2.457 -0.243 1.270) 2.776 1.804 ( 3.197 -0.625 0.261) 3.268 1.890 ( 2.289 1.694 -0.161) 2.852 1.954 ( 0.251 1.910 -2.922) 3.499 2.030 ( 4.403 0.019 -1.840) 4.772 2.096 ( 1.778 0.074 1.628) 2.411 2.134 ( 1.697 -1.476 -3.393) 4.071 2.159 ( -1.980 -3.264 0.159) 3.821 2.236 ( 2.110 -3.535 -4.611) 6.181 2.307 ( 2.547 -3.102 -0.555) 4.052 2.399 ( -2.938 -1.354 -1.152) 3.434 2.487 ( 0.668 -3.485 0.338) 3.565 2.558 ( -2.804 -0.277 0.069) 2.818 2.570 ( -1.768 1.707 0.507) 2.509 2.601 ( -1.448 1.160 0.905) 2.064 2.694 ( 0.251 -1.250 0.799) 1.505 2.718 ( 1.055 -0.402 2.249) 2.517 2.771 ( -1.434 0.138 -2.108) 2.553 2.791 ( 2.352 1.976 -1.048) 3.246 2.923 ( 0.975 -0.512 -0.255) 1.131 2.952 ( -2.366 -2.672 2.116) 4.149 2.978 ( 0.797 1.637 -1.765) 2.536 3.025 ( 1.921 1.505 2.879) 3.774 3.099 ( 2.999 -1.008 1.328) 3.431 3.202 ( 2.335 -0.495 -1.365) 2.750 3.251 ( 0.281 -0.695 -1.078) 1.313 3.340 ( 3.200 1.341 -4.792) 5.916 3.366 ( -7.318 -3.140 0.443) 7.975 3.447 ( -1.144 -4.097 2.255) 4.814 3.540 ( 0.891 1.573 0.589) 1.901 3.648 ( 0.674 -2.179 -5.327) 5.795 3.820 ( 1.666 1.382 -2.330) 3.180 3.880 ( 0.662 1.012 -2.210) 2.519 4.175 ( -2.651 -0.310 6.191) 6.741 4.208 ( -5.977 -1.209 4.505) 7.582 4.338 ( 0.465 -0.367 3.382) 3.433 4.444 ( -3.522 -6.076 -5.175) 8.724 4.677 ( -3.883 2.670 2.630) 5.396 4.743 ( 1.412 2.582 2.758) 4.033 4.802 ( -2.983 -0.841 -0.100) 3.101 4.815 ( 0.424 -2.058 1.177) 2.408 5.019 ( -4.034 8.212 -3.764) 9.894 5.417 ( 7.308 1.697 -8.880) 11.625 5.657 ( 0.458 -2.899 2.262) 3.705 5.682 ( -0.860 -3.741 1.700) 4.198 5.868 ( -0.755 0.377 4.953) 5.024 6.137 ( -7.980 -0.548 -11.768) 14.229 8.285 ( 0.090 -1.608 -0.240) 1.629 8.363 ( 5.574 -1.003 1.426) 5.841 8.556 ( -3.443 6.519 8.785) 11.468 8.779 ( 2.357 -1.723 3.191) 4.325 8.863 ( 1.700 -1.777 -0.666) 2.548 8.936 ( -5.984 2.392 -5.702) 8.605 9.992 ( 1.554 0.001 -2.747) 3.156 10.055 ( 5.223 -1.001 -1.822) 5.621 10.307 ( 0.203 1.231 1.141) 1.691 10.395 ( 1.568 0.121 -0.765) 1.749 12.915 ( 0.185 1.053 0.396) 1.140 12.947 ( 2.180 1.392 0.407) 2.618 13.276 ( -2.469 0.496 0.502) 2.567 13.380 ( -0.069 0.712 1.462) 1.628 13.589 ( 0.054 -6.342 5.467) 8.374 13.779 ( -1.048 1.084 0.305) 1.539 13.804 ( -3.700 -2.120 -1.684) 4.585 14.035 ( 1.106 -1.924 -7.662) 7.977 14.101 ( -2.220 -0.673 -1.561) 2.796 14.186 ( -1.044 0.102 -2.616) 2.818 17.365 ( -0.955 4.262 4.500) 6.271 17.492 ( -2.574 3.268 -1.410) 4.392 23.301 ( -1.027 2.498 1.997) 3.359 23.432 ( -3.071 0.349 -2.380) 3.901 25.024 ( -0.535 0.436 -0.016) 0.690 25.053 ( 1.478 -0.036 1.139) 1.866 26.380 ( 3.185 -0.965 -0.599) 3.382 26.414 ( 0.867 -1.108 0.348) 1.449 26.477 ( 5.780 1.305 -2.604) 6.473 26.528 ( 8.164 0.939 -1.301) 8.320 26.657 ( 0.008 1.427 0.660) 1.573 26.771 ( 1.976 0.737 0.238) 2.123 27.121 ( -2.682 -1.596 -0.023) 3.121 27.206 ( 0.639 -3.122 -2.205) 3.875 27.847 ( -4.861 2.831 8.086) 9.850 28.109 ( -6.623 -4.738 -2.293) 8.460 ======================= Grid point 56 (27/69) ======================= q-point: ( 0.22 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 4.963 3.125 8.927) 10.682 1.208 ( 9.680 2.901 6.765) 12.161 1.236 ( 5.030 5.196 2.427) 7.628 1.440 ( 5.983 2.134 -4.743) 7.928 1.523 ( 3.286 -0.667 5.487) 6.431 1.587 ( -1.569 -0.050 2.688) 3.112 1.725 ( 4.977 3.143 0.106) 5.887 1.759 ( 3.165 -1.961 4.575) 5.898 1.804 ( 1.726 0.172 -0.966) 1.985 1.876 ( 2.052 -0.690 -4.713) 5.186 1.963 ( 0.269 -1.210 -3.802) 3.999 2.026 ( -1.461 -0.275 -3.706) 3.993 2.053 ( 1.990 -1.289 -2.810) 3.677 2.134 ( 1.024 -3.533 0.161) 3.682 2.244 ( 1.677 -6.054 0.237) 6.287 2.286 ( 3.960 -1.820 -0.494) 4.386 2.330 ( 1.483 5.891 6.801) 9.120 2.409 ( 3.974 -0.448 -1.016) 4.127 2.448 ( -2.413 0.457 0.048) 2.456 2.496 ( -3.181 -0.511 -0.746) 3.307 2.546 ( -0.351 -1.556 -1.662) 2.304 2.615 ( 0.261 -0.041 2.138) 2.154 2.674 ( -2.821 -1.872 3.182) 4.646 2.764 ( 1.938 -3.243 -2.536) 4.550 2.795 ( 2.587 2.184 0.696) 3.457 2.816 ( 1.308 0.840 -0.412) 1.608 2.872 ( -1.919 4.744 -4.192) 6.615 2.942 ( -1.450 -7.007 1.850) 7.391 3.012 ( 1.832 -0.628 0.588) 2.024 3.061 ( -1.548 3.713 2.699) 4.844 3.144 ( 0.916 -0.374 -1.812) 2.065 3.201 ( -4.248 0.074 0.785) 4.321 3.205 ( 0.718 -3.686 -1.963) 4.237 3.269 ( -0.527 4.738 -3.123) 5.699 3.330 ( 0.580 -2.392 -1.291) 2.779 3.501 ( 3.278 1.460 3.010) 4.684 3.545 ( -0.559 2.138 -0.401) 2.246 3.620 ( 1.971 -0.300 -2.965) 3.573 3.800 ( 0.219 2.582 -3.278) 4.179 3.875 ( 0.609 1.309 -0.994) 1.753 4.165 ( -4.177 1.267 2.835) 5.205 4.211 ( -2.423 -2.522 6.208) 7.126 4.296 ( -6.955 -6.142 -0.488) 9.291 4.383 ( 0.060 0.635 -0.388) 0.747 4.632 ( -3.523 0.934 0.256) 3.654 4.711 ( -6.836 4.704 0.024) 8.299 4.822 ( 2.286 -1.362 0.434) 2.696 4.868 ( 1.548 1.693 5.539) 5.995 4.954 ( 1.059 2.437 -0.096) 2.659 5.397 ( 3.327 -1.120 -9.402) 10.036 5.659 ( -3.267 -5.632 -1.708) 6.731 5.671 ( -0.802 -2.578 0.739) 2.799 5.831 ( -6.173 1.000 -2.498) 6.734 5.982 ( -1.543 -1.489 2.711) 3.457 8.270 ( -0.080 0.592 -2.078) 2.162 8.428 ( 1.102 3.394 -0.673) 3.631 8.606 ( -3.400 3.018 8.266) 9.434 8.747 ( -3.733 2.605 -6.458) 7.901 8.873 ( 3.159 -3.913 3.348) 6.041 8.937 ( 3.554 -2.751 2.234) 5.019 9.985 ( 1.539 1.271 -2.494) 3.194 10.128 ( 5.197 0.362 -1.387) 5.391 10.328 ( 1.254 -1.154 0.853) 1.906 10.428 ( 2.454 0.016 -0.054) 2.455 12.923 ( 0.601 1.039 0.543) 1.317 13.002 ( 2.864 -0.026 0.690) 2.946 13.227 ( -3.235 1.064 -0.524) 3.445 13.387 ( -0.810 -0.695 1.155) 1.573 13.638 ( -1.017 -4.017 3.529) 5.443 13.668 ( -3.830 -2.119 -3.659) 5.705 13.843 ( -0.011 1.788 5.819) 6.087 13.930 ( -2.663 2.148 -6.787) 7.600 14.071 ( 0.791 -2.138 -2.908) 3.695 14.136 ( -2.005 -2.232 -1.109) 3.199 17.386 ( -1.895 2.978 3.036) 4.656 17.417 ( -3.205 3.421 -2.443) 5.286 23.295 ( -1.762 2.384 0.952) 3.113 23.352 ( -3.585 1.478 -1.345) 4.104 25.018 ( 0.028 0.730 -0.129) 0.742 25.087 ( 1.117 -0.557 0.694) 1.428 26.388 ( 0.965 0.594 -1.290) 1.717 26.458 ( 2.038 -3.126 0.754) 3.807 26.557 ( 8.261 1.774 -3.921) 9.315 26.670 ( 0.756 0.990 0.622) 1.392 26.680 ( 9.569 1.181 0.636) 9.662 26.804 ( 1.513 -1.721 0.001) 2.291 27.098 ( -0.080 0.497 -0.273) 0.573 27.222 ( 1.829 -0.774 1.246) 2.345 27.829 ( -7.646 -0.051 7.007) 10.371 27.941 ( -8.424 -3.574 -4.185) 10.062 ======================= Grid point 57 (28/69) ======================= q-point: ( 0.33 0.20 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 3.218 -0.361 4.933) 5.900 1.382 ( 9.939 5.662 -2.097) 11.630 1.406 ( 2.335 2.582 4.246) 5.491 1.448 ( 7.732 9.935 -8.188) 15.017 1.604 ( 1.189 -1.864 1.543) 2.696 1.626 ( 0.218 2.387 6.960) 7.362 1.718 ( 2.300 -2.209 -4.125) 5.214 1.808 ( -0.171 3.788 -1.999) 4.286 1.830 ( -1.611 3.370 -1.725) 4.115 1.918 ( 5.049 -1.603 2.561) 5.884 1.998 ( 7.951 -1.770 2.887) 8.643 2.010 ( -1.908 -4.300 2.404) 5.283 2.047 ( -0.607 -3.703 0.072) 3.753 2.156 ( -1.983 -2.426 0.876) 3.253 2.226 ( -1.583 -0.628 -0.573) 1.797 2.310 ( 2.788 -2.029 -0.214) 3.455 2.381 ( -3.437 -3.508 -0.841) 4.983 2.387 ( -2.228 0.299 -1.824) 2.895 2.448 ( -0.750 0.187 -0.428) 0.884 2.483 ( 1.950 1.519 3.067) 3.939 2.533 ( 0.492 -1.366 -1.727) 2.256 2.632 ( -0.496 -3.188 -2.737) 4.231 2.705 ( -1.766 -2.770 0.548) 3.330 2.740 ( 1.538 1.379 -2.884) 3.547 2.787 ( 4.670 -1.304 0.389) 4.865 2.828 ( -3.158 -0.751 -0.547) 3.291 2.857 ( 5.186 -3.719 -0.335) 6.391 2.959 ( 1.084 -1.102 2.056) 2.573 3.005 ( -4.091 1.151 -3.689) 5.628 3.051 ( 1.943 2.366 0.793) 3.163 3.098 ( -3.171 0.637 1.215) 3.455 3.188 ( -0.985 -2.346 0.658) 2.628 3.209 ( -1.039 0.695 2.159) 2.494 3.265 ( 1.107 7.298 0.202) 7.384 3.338 ( 3.080 1.258 -2.095) 3.932 3.527 ( -0.622 0.742 -0.666) 1.175 3.574 ( 3.087 5.686 -2.022) 6.778 3.632 ( 2.238 1.195 -1.033) 2.739 3.778 ( 1.516 2.278 -1.600) 3.170 3.861 ( -1.182 2.613 -0.554) 2.921 4.133 ( -4.602 0.140 2.214) 5.109 4.168 ( -6.371 -3.993 1.935) 7.764 4.246 ( -1.717 -2.332 2.690) 3.953 4.361 ( -1.138 1.289 -1.829) 2.510 4.578 ( -3.102 -0.282 0.143) 3.118 4.603 ( -4.607 4.226 0.539) 6.275 4.837 ( 1.433 -0.236 -2.111) 2.562 4.981 ( 3.607 0.179 4.513) 5.780 5.030 ( 1.257 -1.513 6.934) 7.207 5.300 ( -0.095 -5.450 -10.245) 11.605 5.552 ( -3.922 -0.610 -1.313) 4.181 5.663 ( -0.388 -1.851 -0.247) 1.907 5.762 ( -1.912 1.552 0.468) 2.507 6.009 ( -2.397 -5.035 4.754) 7.328 8.222 ( -1.748 3.996 -2.973) 5.279 8.423 ( 0.290 5.521 -0.515) 5.553 8.610 ( -4.244 0.723 1.098) 4.443 8.672 ( 0.130 1.867 0.280) 1.892 8.955 ( 2.488 -5.521 1.412) 6.218 9.007 ( 2.844 -3.287 -0.457) 4.371 9.996 ( 1.179 2.588 0.929) 2.992 10.187 ( 3.184 1.994 0.079) 3.758 10.368 ( 2.031 -3.333 0.761) 3.976 10.460 ( 1.687 -1.175 -0.607) 2.143 12.939 ( 0.539 0.793 -0.233) 0.986 13.043 ( 1.824 -0.917 -0.562) 2.117 13.170 ( -2.378 1.159 -0.586) 2.710 13.386 ( -0.077 -2.973 0.206) 2.981 13.590 ( -1.241 2.704 -1.973) 3.570 13.653 ( -1.989 0.698 2.727) 3.446 13.809 ( -1.593 1.044 -5.113) 5.457 13.892 ( -3.000 1.690 4.481) 5.651 14.070 ( 2.455 -2.764 -1.552) 4.009 14.104 ( -1.171 -3.040 0.885) 3.376 17.346 ( -1.563 2.271 -2.261) 3.565 17.378 ( -1.920 1.298 1.156) 2.590 23.271 ( -1.387 2.180 -0.402) 2.615 23.289 ( -2.461 2.148 -0.939) 3.399 25.022 ( 0.367 0.657 0.089) 0.757 25.104 ( 0.497 -0.862 -0.117) 1.002 26.400 ( 1.807 0.146 -0.481) 1.875 26.491 ( 0.513 -3.782 1.595) 4.136 26.644 ( 7.058 3.735 -3.361) 8.664 26.684 ( 0.807 -0.445 0.152) 0.934 26.809 ( 1.085 -3.837 0.562) 4.027 26.851 ( 6.337 2.674 1.937) 7.146 27.109 ( 1.749 3.853 -0.223) 4.237 27.274 ( 1.022 1.892 2.696) 3.448 27.753 ( -6.611 -4.345 -4.341) 9.024 27.773 ( -7.203 -3.378 2.743) 8.415 ======================= Grid point 58 (29/69) ======================= q-point: ( 0.44 0.20 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -2.577 0.290 0.602) 2.662 1.368 ( 0.885 3.472 -6.262) 7.215 1.468 ( 6.331 2.919 -3.090) 7.626 1.533 ( 0.374 0.282 -4.244) 4.270 1.623 ( 1.197 3.839 -0.294) 4.032 1.667 ( 1.172 2.612 -2.577) 3.852 1.754 ( 3.401 0.606 -0.380) 3.475 1.790 ( 3.222 -0.361 -1.193) 3.455 1.861 ( -3.873 -0.386 6.247) 7.360 1.933 ( -3.696 2.174 3.610) 5.605 2.018 ( -0.759 -3.280 3.590) 4.922 2.068 ( -0.217 -3.291 1.625) 3.677 2.110 ( 2.012 0.321 2.448) 3.185 2.164 ( -0.280 1.785 1.185) 2.161 2.190 ( 1.667 2.704 1.750) 3.627 2.284 ( -2.802 1.070 0.975) 3.154 2.352 ( -0.948 -0.750 -1.073) 1.616 2.393 ( 1.752 -4.956 1.885) 5.584 2.424 ( 1.634 -1.132 1.145) 2.294 2.510 ( -3.847 -1.850 -1.354) 4.478 2.567 ( 5.471 -2.859 -0.054) 6.173 2.609 ( -0.220 -3.106 -0.625) 3.176 2.662 ( 2.196 -2.373 -0.263) 3.244 2.742 ( -4.055 -3.832 -1.485) 5.773 2.776 ( 4.133 0.122 -5.173) 6.622 2.854 ( 3.054 -3.974 -3.351) 6.030 2.891 ( -2.321 -0.000 -1.615) 2.827 2.949 ( 1.090 -0.927 2.424) 2.815 3.002 ( -1.203 1.528 0.231) 1.958 3.069 ( 1.162 3.958 0.730) 4.189 3.085 ( -0.134 -0.008 2.146) 2.150 3.142 ( -3.719 -1.467 -1.732) 4.357 3.206 ( -2.017 0.031 1.283) 2.390 3.287 ( 0.512 6.013 1.520) 6.223 3.396 ( 5.158 4.296 -1.062) 6.796 3.480 ( -2.766 1.251 -4.359) 5.312 3.542 ( 1.148 6.585 -5.870) 8.896 3.665 ( 2.798 3.317 -1.133) 4.485 3.821 ( 2.408 0.365 1.944) 3.116 3.855 ( 0.740 2.479 1.668) 3.078 4.045 ( -6.310 -0.633 1.585) 6.537 4.128 ( -2.793 -2.228 0.763) 3.654 4.237 ( -1.563 0.179 0.363) 1.614 4.324 ( 0.239 0.728 -2.415) 2.534 4.552 ( -0.643 -0.267 1.314) 1.487 4.577 ( -1.632 1.661 2.590) 3.483 4.827 ( 0.743 0.021 -2.501) 2.609 4.979 ( -2.484 -2.193 -6.206) 7.035 5.126 ( -2.595 -0.496 8.806) 9.194 5.312 ( 8.649 -6.643 4.026) 11.625 5.519 ( -0.818 0.975 0.992) 1.614 5.652 ( -0.223 -1.398 -0.974) 1.718 5.747 ( -1.177 1.207 1.086) 2.005 5.993 ( -3.805 -5.432 1.343) 6.766 8.184 ( 1.059 3.825 -1.405) 4.210 8.421 ( 0.187 2.262 -2.265) 3.207 8.524 ( -3.262 1.862 -1.985) 4.248 8.718 ( 0.881 3.479 4.020) 5.388 8.966 ( -0.415 -4.319 -2.522) 5.019 9.012 ( 0.623 -2.574 -3.410) 4.318 10.047 ( 0.744 2.300 4.912) 5.475 10.239 ( 1.377 1.735 2.388) 3.258 10.393 ( 0.379 -3.629 -0.399) 3.670 10.471 ( 0.883 -1.972 -1.095) 2.423 12.926 ( -0.004 1.144 -2.249) 2.523 13.044 ( 0.294 -0.119 -2.337) 2.358 13.145 ( -0.505 0.966 0.424) 1.169 13.383 ( -0.294 -4.424 -1.094) 4.566 13.565 ( 0.305 4.982 -0.617) 5.029 13.650 ( -1.000 2.147 2.070) 3.146 13.790 ( 2.203 0.248 0.351) 2.245 13.856 ( -3.693 -1.607 -0.046) 4.028 14.090 ( 0.788 -1.771 0.890) 2.133 14.135 ( 0.834 -0.796 3.207) 3.408 17.317 ( 0.373 1.012 -1.304) 1.692 17.355 ( -1.220 0.375 -0.397) 1.336 23.246 ( -0.426 2.028 -1.193) 2.391 23.251 ( -0.667 2.208 -1.040) 2.530 25.029 ( 0.116 0.513 0.299) 0.605 25.103 ( 0.088 -0.884 -0.784) 1.185 26.431 ( 1.365 -0.386 0.879) 1.669 26.515 ( -0.626 -3.938 2.618) 4.770 26.684 ( 2.157 3.594 -2.494) 4.877 26.715 ( 2.953 0.345 -0.879) 3.101 26.821 ( -1.214 -4.318 2.748) 5.260 26.955 ( 2.097 2.433 2.684) 4.186 27.144 ( 2.332 7.572 -0.143) 7.925 27.308 ( -0.997 3.616 3.024) 4.818 27.633 ( 0.312 -5.983 -4.822) 7.691 27.672 ( -6.405 -5.658 -2.050) 8.789 ======================= Grid point 59 (30/69) ======================= q-point: (-0.44 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -5.403 0.755 -4.103) 6.826 1.307 ( -2.031 0.717 -8.025) 8.309 1.425 ( -6.910 2.316 6.221) 9.582 1.509 ( -6.901 -0.074 -1.789) 7.129 1.619 ( 0.390 -2.201 -1.808) 2.874 1.635 ( 2.592 2.093 -4.745) 5.798 1.674 ( 1.308 2.332 -4.577) 5.301 1.821 ( 0.907 -3.149 1.004) 3.427 1.874 ( -5.540 -0.842 -1.355) 5.766 1.973 ( 2.570 -0.139 5.211) 5.811 2.074 ( -1.577 -0.425 4.719) 4.994 2.097 ( 0.584 -3.701 1.454) 4.019 2.152 ( 0.141 -0.153 1.016) 1.037 2.180 ( 2.809 3.315 5.675) 7.148 2.239 ( 1.161 -0.911 1.744) 2.285 2.298 ( -1.807 -3.911 1.149) 4.459 2.332 ( 0.368 -0.114 0.759) 0.852 2.413 ( -0.467 -1.543 -1.283) 2.060 2.454 ( -1.068 -2.375 2.156) 3.381 2.527 ( -0.398 0.690 1.280) 1.507 2.572 ( 2.056 0.895 2.097) 3.070 2.605 ( -5.791 -2.464 -3.258) 7.087 2.644 ( 4.462 0.468 -4.347) 6.247 2.730 ( 0.321 -1.720 2.011) 2.665 2.802 ( 1.327 -1.640 -0.296) 2.130 2.817 ( -2.926 3.663 -2.219) 5.187 2.894 ( -0.871 -1.445 -1.414) 2.201 2.920 ( 4.197 3.220 -4.087) 6.685 2.961 ( -0.765 1.634 0.516) 1.877 3.022 ( -2.493 3.012 -2.834) 4.829 3.090 ( -1.705 0.766 0.994) 2.117 3.150 ( -1.242 -3.274 2.632) 4.380 3.213 ( 1.761 -0.605 3.117) 3.631 3.306 ( 0.971 2.580 -0.794) 2.869 3.372 ( -2.035 -1.007 -2.668) 3.503 3.465 ( 3.422 3.209 -2.658) 5.392 3.507 ( 2.870 5.694 -5.063) 8.142 3.694 ( 2.487 2.400 -1.827) 3.910 3.870 ( -0.340 2.666 2.276) 3.522 3.896 ( 1.150 0.993 1.475) 2.117 4.008 ( 0.069 -1.747 1.849) 2.545 4.079 ( -2.229 -2.253 -1.412) 3.470 4.204 ( -1.980 1.804 -0.582) 2.741 4.318 ( 2.053 0.036 -2.050) 2.901 4.577 ( 0.205 -0.481 1.849) 1.921 4.603 ( 1.974 1.815 2.600) 3.735 4.812 ( 0.707 -0.394 -1.792) 1.966 4.856 ( -2.790 -0.524 -5.308) 6.020 5.158 ( -5.703 0.284 8.567) 10.295 5.517 ( 3.156 -0.101 0.307) 3.173 5.572 ( 7.323 -7.490 6.044) 12.094 5.637 ( 0.945 -1.657 -0.598) 1.999 5.751 ( -0.771 1.392 2.644) 3.086 5.939 ( -1.498 -2.734 -0.757) 3.208 8.220 ( 3.614 1.061 -0.504) 3.800 8.347 ( 0.077 -3.186 -8.285) 8.877 8.504 ( -1.584 6.308 3.772) 7.518 8.775 ( 0.931 4.186 2.556) 4.992 8.897 ( -2.309 -1.842 -3.828) 4.835 8.962 ( -1.271 -0.778 -3.494) 3.799 10.122 ( -0.368 0.856 6.695) 6.760 10.281 ( -0.740 0.556 3.335) 3.461 10.369 ( -1.670 -3.000 -1.505) 3.749 10.462 ( -0.134 -1.636 -1.615) 2.303 12.903 ( 0.287 1.747 -1.629) 2.406 13.001 ( -0.571 1.254 -4.267) 4.484 13.162 ( 1.079 0.754 1.464) 1.969 13.344 ( -0.959 -2.066 -2.902) 3.689 13.607 ( 2.539 -0.689 2.866) 3.890 13.664 ( -0.306 2.970 1.837) 3.506 13.768 ( -3.313 -4.418 -2.214) 5.950 13.879 ( 4.975 0.072 1.357) 5.158 14.124 ( 0.419 0.198 2.680) 2.720 14.177 ( 0.246 1.299 2.405) 2.744 17.311 ( -0.208 0.069 -1.386) 1.403 17.344 ( 1.556 0.630 -0.642) 1.797 23.232 ( 0.590 1.971 -1.360) 2.466 23.242 ( 1.290 2.147 -1.397) 2.867 25.032 ( -0.274 0.408 0.527) 0.721 25.089 ( -0.289 -0.704 -1.184) 1.407 26.455 ( -0.468 -0.388 1.714) 1.819 26.528 ( -1.699 -3.389 2.528) 4.557 26.675 ( 0.618 2.989 -2.931) 4.232 26.735 ( 1.015 0.149 -1.305) 1.660 26.834 ( -2.486 -3.567 4.063) 5.951 26.988 ( -3.771 2.012 6.058) 7.414 27.162 ( 0.898 6.631 -0.828) 6.743 27.330 ( -1.001 3.992 3.734) 5.557 27.510 ( -3.985 -5.934 -8.733) 11.285 27.671 ( 7.853 -5.017 -2.534) 9.657 ======================= Grid point 60 (31/69) ======================= q-point: (-0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -11.823 1.965 -4.311) 12.737 1.113 ( -11.871 4.130 -3.402) 13.021 1.291 ( -7.282 0.603 -5.728) 9.285 1.445 ( -2.733 -1.621 5.394) 6.260 1.522 ( -2.856 0.245 -0.762) 2.966 1.686 ( 1.942 0.818 -1.764) 2.748 1.729 ( -8.308 -1.013 1.320) 8.473 1.741 ( 1.320 -2.071 2.026) 3.183 1.871 ( 2.622 -6.163 0.289) 6.703 2.004 ( -2.692 -1.477 0.588) 3.127 2.062 ( -5.224 -0.083 -1.530) 5.444 2.113 ( -0.554 -1.929 4.570) 4.992 2.137 ( -2.160 4.939 -5.133) 7.443 2.179 ( -4.546 -2.518 -0.426) 5.214 2.273 ( -2.714 -1.083 3.025) 4.206 2.304 ( 2.337 2.803 3.466) 5.033 2.359 ( 1.144 1.483 1.671) 2.510 2.427 ( 1.262 2.362 -0.263) 2.691 2.449 ( 1.643 -0.328 -1.226) 2.076 2.499 ( -0.469 0.520 4.050) 4.110 2.543 ( -4.200 0.216 -5.173) 6.667 2.575 ( -2.642 -2.148 0.630) 3.463 2.619 ( 0.218 0.604 0.520) 0.826 2.686 ( 2.748 2.458 -4.061) 5.485 2.786 ( -4.151 2.511 -0.313) 4.861 2.825 ( 2.456 -1.808 0.506) 3.092 2.890 ( 0.272 0.879 -2.355) 2.528 2.902 ( 1.944 -3.996 -1.770) 4.783 3.007 ( 2.914 -0.231 -1.166) 3.147 3.067 ( -2.433 -2.448 3.815) 5.145 3.103 ( 6.568 2.942 1.554) 7.362 3.126 ( -1.581 0.594 2.005) 2.621 3.268 ( 0.010 0.654 1.029) 1.219 3.317 ( 0.395 -0.808 0.235) 0.930 3.325 ( -0.350 -0.802 -0.564) 1.041 3.448 ( -0.097 -0.671 -3.588) 3.652 3.520 ( 3.915 4.507 -3.954) 7.161 3.688 ( 0.659 0.659 -2.810) 2.961 3.881 ( 1.069 1.370 -0.312) 1.766 3.931 ( 0.548 -0.129 0.841) 1.012 4.024 ( -0.063 -2.618 -0.439) 2.655 4.068 ( 0.709 -1.317 2.406) 2.833 4.181 ( 0.155 3.567 -0.046) 3.570 4.343 ( 3.557 -0.637 -0.980) 3.744 4.589 ( -0.008 1.378 0.304) 1.411 4.701 ( 5.072 1.403 2.672) 5.902 4.773 ( -1.955 0.501 -1.853) 2.740 4.819 ( 1.122 -1.417 -0.106) 1.810 5.139 ( -6.361 3.007 5.664) 9.032 5.543 ( 1.401 -0.326 -0.687) 1.594 5.600 ( 0.333 -1.508 -1.984) 2.514 5.716 ( 3.280 -4.277 -3.277) 6.307 5.780 ( -2.074 -2.352 3.938) 5.034 6.039 ( 10.009 -1.198 7.226) 12.403 8.209 ( -0.346 -2.255 -5.997) 6.417 8.318 ( 4.292 -1.313 -3.367) 5.611 8.526 ( -2.506 5.616 5.026) 7.942 8.758 ( -0.749 -0.324 -4.622) 4.694 8.875 ( -0.289 3.147 1.473) 3.487 8.917 ( 0.177 1.305 0.665) 1.475 10.172 ( -2.852 -0.577 5.378) 6.115 10.265 ( -4.353 -2.497 0.130) 5.020 10.332 ( -1.320 0.180 0.644) 1.480 10.431 ( -0.712 -1.077 -1.858) 2.263 12.902 ( 0.514 1.947 -0.037) 2.014 12.942 ( -0.168 2.325 -3.806) 4.463 13.207 ( 1.587 0.375 2.157) 2.704 13.303 ( 0.386 -1.058 -2.891) 3.103 13.614 ( -3.046 -1.391 -1.301) 3.593 13.698 ( -0.357 1.802 -0.498) 1.903 13.752 ( 3.753 -4.906 4.217) 7.479 13.973 ( 5.642 -1.764 -1.072) 6.008 14.144 ( -0.977 2.156 0.518) 2.423 14.214 ( 1.266 2.749 2.637) 4.014 17.282 ( -0.684 0.718 -1.703) 1.970 17.382 ( 3.269 -0.147 -0.639) 3.334 23.232 ( 1.167 2.064 -1.181) 2.648 23.261 ( 3.190 2.519 -1.748) 4.425 25.034 ( -0.432 0.235 0.811) 0.948 25.065 ( -0.863 -0.441 -1.300) 1.622 26.451 ( -2.280 0.043 1.557) 2.762 26.505 ( -2.968 -2.033 -0.266) 3.607 26.642 ( -1.839 1.531 -0.662) 2.483 26.721 ( -0.670 -0.305 -1.470) 1.644 26.815 ( -3.533 -2.131 0.974) 4.240 26.986 ( -6.746 0.965 7.756) 10.324 27.171 ( -2.318 2.275 2.366) 4.019 27.295 ( -3.891 -2.322 1.507) 4.776 27.449 ( 7.899 2.745 -6.734) 10.737 27.789 ( 9.423 -3.939 -2.846) 10.602 ======================= Grid point 61 (32/69) ======================= q-point: (-0.22 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -14.433 7.677 -0.412) 16.353 0.879 ( -15.456 10.292 3.324) 18.864 1.190 ( -1.570 1.481 -0.314) 2.181 1.457 ( -3.601 -2.679 2.205) 5.000 1.489 ( -8.607 5.842 4.000) 11.145 1.544 ( -12.315 10.898 -4.330) 17.005 1.675 ( -4.736 -0.035 5.979) 7.627 1.687 ( 1.672 -2.429 -2.128) 3.636 1.889 ( 0.440 -0.789 -1.977) 2.174 1.910 ( -4.890 0.473 -0.597) 4.949 1.993 ( -2.121 -3.550 0.407) 4.155 2.032 ( -3.345 -5.103 -3.880) 7.231 2.151 ( 0.538 -3.334 2.211) 4.036 2.228 ( 0.974 0.457 4.395) 4.525 2.260 ( -1.367 -1.700 1.053) 2.422 2.317 ( -2.526 -2.760 -3.392) 5.050 2.375 ( -0.011 0.368 -2.277) 2.307 2.402 ( -3.310 -1.836 -1.615) 4.115 2.452 ( 4.188 3.173 0.586) 5.287 2.467 ( 3.289 2.208 -0.738) 4.030 2.558 ( 0.079 -0.058 4.003) 4.004 2.579 ( 0.659 1.572 -1.197) 2.083 2.625 ( 0.502 2.884 -1.289) 3.199 2.707 ( 1.602 0.665 1.423) 2.243 2.777 ( -0.244 1.077 2.327) 2.576 2.833 ( 0.116 -1.232 -5.177) 5.323 2.863 ( -1.776 -2.942 -0.038) 3.437 2.886 ( 1.001 -1.249 1.129) 1.958 3.021 ( -1.848 0.598 -2.865) 3.461 3.057 ( -0.136 -1.226 -1.469) 1.918 3.078 ( -1.854 -3.226 3.062) 4.819 3.217 ( -2.511 0.614 0.874) 2.728 3.281 ( 6.210 2.043 0.953) 6.606 3.309 ( -2.318 -0.102 1.334) 2.676 3.380 ( 3.004 -1.544 1.429) 3.667 3.401 ( -0.286 -2.788 -2.401) 3.690 3.534 ( 2.381 3.536 -2.701) 5.047 3.686 ( 4.025 -0.375 -3.412) 5.290 3.863 ( -0.426 -1.678 -3.696) 4.081 3.937 ( 0.737 -0.828 -0.849) 1.396 4.062 ( 0.916 -2.920 5.282) 6.105 4.112 ( 0.174 1.013 4.357) 4.477 4.193 ( 0.303 4.608 0.372) 4.632 4.420 ( 6.414 -2.752 -0.328) 6.987 4.597 ( 0.848 2.629 0.668) 2.842 4.733 ( -1.416 -0.470 -0.127) 1.498 4.795 ( 2.598 -0.105 0.571) 2.662 4.838 ( -0.039 -2.639 1.500) 3.035 5.112 ( -1.295 7.929 1.759) 8.225 5.535 ( 0.926 -2.623 -4.524) 5.311 5.596 ( 0.649 0.141 -0.050) 0.666 5.688 ( -0.258 -2.962 -4.958) 5.781 5.789 ( -1.020 -0.299 2.663) 2.867 6.313 ( 11.853 -3.514 5.569) 13.559 8.147 ( 0.703 1.194 -3.704) 3.954 8.337 ( 0.950 -2.270 -1.040) 2.671 8.524 ( -3.806 6.308 3.889) 8.331 8.731 ( 1.186 -0.902 0.146) 1.497 8.856 ( -0.308 1.460 -1.258) 1.951 8.985 ( 3.092 -0.341 1.995) 3.696 10.135 ( -5.601 -1.368 0.678) 5.805 10.175 ( -5.154 -0.872 -1.199) 5.363 10.321 ( -1.967 0.188 1.597) 2.541 10.410 ( 0.074 -1.573 -0.786) 1.760 12.885 ( -0.169 2.270 -2.129) 3.117 12.940 ( 0.674 1.929 0.979) 2.266 13.254 ( 0.858 -0.571 2.011) 2.260 13.297 ( 2.068 -0.146 -1.510) 2.565 13.552 ( -1.561 0.494 -0.604) 1.746 13.677 ( -0.148 2.767 -2.157) 3.512 13.874 ( 3.477 -2.276 4.342) 6.011 14.029 ( 4.269 -3.060 -3.147) 6.123 14.111 ( -0.175 3.148 -3.132) 4.444 14.278 ( 2.848 2.300 1.872) 4.112 17.257 ( -0.356 1.576 -0.710) 1.765 17.425 ( 3.024 -1.241 -0.967) 3.409 23.242 ( 1.229 2.425 -0.530) 2.770 23.306 ( 5.021 4.045 -1.949) 6.736 25.032 ( -1.162 -0.237 -0.664) 1.359 25.038 ( -0.626 -0.040 0.587) 0.859 26.420 ( -2.934 -0.182 0.165) 2.944 26.438 ( -2.774 -0.443 -1.453) 3.163 26.594 ( -5.271 -1.135 1.799) 5.684 26.679 ( -1.656 -2.184 -2.959) 4.033 26.751 ( -3.870 -0.482 -0.857) 3.993 26.899 ( -7.980 1.475 -0.370) 8.124 27.181 ( -0.896 -1.929 6.628) 6.961 27.330 ( 0.054 -5.178 4.505) 6.863 27.532 ( 8.442 7.193 -2.125) 11.293 27.896 ( 7.907 -2.290 -2.916) 8.733 ======================= Grid point 62 (33/69) ======================= q-point: (-0.11 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -7.233 18.556 8.836) 21.788 0.714 ( -13.600 15.652 9.731) 22.905 1.135 ( -15.060 25.029 5.227) 29.675 1.210 ( -3.235 6.315 5.629) 9.057 1.470 ( -2.184 -4.052 3.390) 5.717 1.558 ( 2.089 -3.238 3.071) 4.928 1.669 ( 0.166 -2.785 -2.159) 3.528 1.722 ( -0.475 -3.540 2.077) 4.132 1.818 ( -5.000 -0.836 -6.726) 8.423 1.839 ( -1.588 2.069 0.868) 2.749 1.927 ( -0.666 -1.181 0.027) 1.356 1.964 ( -2.136 -4.440 -3.012) 5.775 2.163 ( -1.239 -2.210 -1.321) 2.858 2.176 ( 0.750 -3.640 -3.022) 4.790 2.239 ( -3.252 -4.451 -1.567) 5.731 2.300 ( -0.650 -1.917 2.059) 2.887 2.364 ( -1.933 -0.524 -0.149) 2.008 2.417 ( 2.814 0.757 1.656) 3.351 2.465 ( -1.772 1.923 -1.135) 2.850 2.513 ( 2.904 1.077 0.096) 3.098 2.600 ( -0.448 -2.213 0.271) 2.275 2.628 ( 1.229 2.574 2.137) 3.563 2.653 ( 4.375 1.484 4.192) 6.238 2.710 ( -0.320 1.051 0.089) 1.102 2.761 ( -0.613 -0.106 -1.507) 1.631 2.796 ( 0.596 0.141 2.377) 2.455 2.856 ( -1.145 0.213 -0.399) 1.231 2.909 ( -2.488 1.371 -2.723) 3.934 2.951 ( 1.541 -1.149 1.443) 2.403 3.054 ( -0.172 -4.627 -1.850) 4.986 3.070 ( -1.476 -5.494 0.528) 5.714 3.217 ( -0.370 -2.695 1.514) 3.113 3.246 ( -3.097 2.811 -1.757) 4.536 3.353 ( 2.597 -0.269 -2.051) 3.320 3.407 ( 1.859 0.877 -0.810) 2.209 3.428 ( 0.049 -0.305 3.865) 3.877 3.535 ( 1.059 1.911 -1.785) 2.821 3.718 ( 4.579 -2.011 -4.987) 7.062 3.817 ( 0.724 -0.089 -3.500) 3.575 3.928 ( -0.174 -2.547 -1.579) 3.002 4.146 ( -1.563 -3.538 7.196) 8.169 4.178 ( 0.004 0.110 6.821) 6.822 4.203 ( 0.610 5.164 1.776) 5.495 4.525 ( 5.928 -6.477 -1.330) 8.880 4.648 ( 3.545 3.244 3.575) 5.989 4.718 ( -0.728 -0.974 0.683) 1.395 4.786 ( -2.345 -0.992 -0.922) 2.709 4.865 ( -0.258 -4.296 2.669) 5.064 5.126 ( 2.565 10.531 -2.296) 11.079 5.449 ( -1.103 -0.325 -10.328) 10.392 5.610 ( 0.014 -0.452 1.107) 1.196 5.628 ( -0.651 1.455 -1.186) 1.987 5.805 ( -0.502 0.378 2.078) 2.171 6.492 ( 7.817 -6.098 -5.883) 11.528 8.155 ( 1.667 3.634 0.998) 4.121 8.332 ( -0.828 -0.543 0.265) 1.025 8.516 ( -3.653 6.040 5.042) 8.675 8.750 ( -0.194 0.628 -0.948) 1.154 8.861 ( 0.946 -3.096 1.015) 3.393 9.033 ( 2.599 -3.708 -0.679) 4.579 10.047 ( -3.318 0.471 -1.630) 3.727 10.073 ( -4.674 -0.400 -1.495) 4.924 10.304 ( -1.896 0.330 1.081) 2.207 10.407 ( 0.134 -2.105 -0.447) 2.156 12.873 ( 0.344 1.814 -0.069) 1.847 12.946 ( -0.896 0.682 0.422) 1.203 13.283 ( 0.132 -0.764 1.485) 1.675 13.326 ( 2.250 0.112 -0.180) 2.260 13.554 ( -0.336 5.058 -0.067) 5.069 13.673 ( 4.201 3.632 -0.692) 5.597 13.922 ( -2.707 -0.122 2.324) 3.569 14.052 ( 3.834 -3.385 -4.369) 6.726 14.119 ( 6.155 3.243 -2.468) 7.382 14.322 ( 2.227 -1.417 -3.383) 4.291 17.263 ( 0.767 3.050 1.611) 3.534 17.464 ( 2.336 -1.250 0.863) 2.787 23.260 ( 0.939 2.851 0.603) 3.062 23.392 ( 7.992 5.078 -1.401) 9.572 25.008 ( -0.563 0.116 -0.202) 0.609 25.037 ( -0.754 -0.392 0.889) 1.230 26.368 ( -1.768 -1.305 -0.903) 2.376 26.400 ( -1.524 -0.203 -0.332) 1.573 26.498 ( -7.686 -2.411 0.306) 8.061 26.577 ( -4.470 -2.454 -4.514) 6.810 26.692 ( -3.582 2.553 1.391) 4.614 26.786 ( -1.922 2.416 -3.714) 4.830 27.238 ( -0.391 -4.910 2.087) 5.349 27.324 ( -3.158 -5.746 -2.147) 6.899 27.674 ( 5.833 6.648 4.558) 9.949 28.026 ( 8.189 -1.700 4.450) 9.474 ======================= Grid point 63 (34/69) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -3.366 15.741 -0.157) 16.098 1.058 ( -4.176 16.572 8.793) 19.220 1.287 ( -4.626 -12.211 -6.407) 14.545 1.344 ( -1.930 -4.449 9.889) 11.014 1.359 ( -1.124 0.962 1.043) 1.810 1.486 ( 1.889 -6.223 1.951) 6.789 1.646 ( 2.024 5.645 -1.011) 6.082 1.704 ( 2.946 -0.368 -5.416) 6.177 1.826 ( -2.011 2.690 -2.298) 4.069 1.892 ( 1.293 1.444 3.222) 3.760 1.916 ( 0.450 -0.214 2.085) 2.144 2.002 ( 0.132 -1.399 2.033) 2.472 2.036 ( 3.359 7.741 2.959) 8.942 2.113 ( 1.964 -1.736 -1.618) 3.081 2.152 ( -0.756 0.864 -3.145) 3.348 2.249 ( -0.902 -1.244 -5.555) 5.763 2.317 ( -2.305 2.035 -0.835) 3.186 2.394 ( 0.440 -0.627 1.934) 2.080 2.471 ( 2.794 -3.813 -2.551) 5.371 2.505 ( -0.967 -3.161 -0.956) 3.441 2.561 ( 0.084 -1.477 0.315) 1.513 2.598 ( 0.138 -2.127 -3.308) 3.935 2.683 ( 0.111 3.400 -0.261) 3.412 2.759 ( -2.399 -1.258 0.208) 2.717 2.830 ( 0.396 -0.253 3.010) 3.046 2.841 ( -2.117 -0.214 0.519) 2.190 2.858 ( 0.104 0.673 0.068) 0.685 2.881 ( -0.988 -4.174 -1.672) 4.603 2.916 ( 3.738 1.712 4.656) 6.211 2.980 ( 1.160 -2.899 3.354) 4.582 3.036 ( 1.221 4.538 3.609) 5.925 3.142 ( -0.207 -4.181 2.109) 4.688 3.280 ( -0.851 3.587 -1.439) 3.957 3.358 ( -1.066 -2.734 -1.771) 3.428 3.404 ( -2.221 0.951 1.163) 2.681 3.427 ( -2.231 -0.501 2.192) 3.168 3.559 ( 1.752 2.556 -4.750) 5.671 3.630 ( 0.964 -3.522 -5.600) 6.686 3.872 ( 2.315 2.658 -1.273) 3.747 3.893 ( 1.061 0.167 -0.802) 1.340 4.144 ( -1.503 0.832 3.194) 3.626 4.220 ( -1.435 -2.668 4.897) 5.758 4.300 ( 0.267 1.327 -0.738) 1.541 4.361 ( 0.235 -5.439 -2.655) 6.057 4.704 ( 0.221 1.020 0.756) 1.289 4.738 ( -0.295 -1.808 1.125) 2.150 4.756 ( -0.951 0.291 1.722) 1.989 4.789 ( -0.581 -2.305 2.273) 3.289 5.307 ( 0.243 7.664 -4.264) 8.774 5.413 ( 3.503 -1.762 -5.239) 6.544 5.596 ( -0.886 -0.669 1.158) 1.604 5.610 ( -0.968 -1.839 1.482) 2.553 5.969 ( 0.218 10.788 -0.777) 10.818 6.226 ( -1.208 -11.347 -7.383) 13.591 8.256 ( 0.677 1.662 -0.516) 1.868 8.293 ( -0.919 -1.644 -1.374) 2.332 8.670 ( -3.908 4.866 6.400) 8.939 8.731 ( -2.152 -1.010 0.934) 2.554 8.828 ( 3.183 3.358 0.868) 4.708 8.966 ( 1.819 -6.362 1.691) 6.830 10.006 ( -0.225 0.634 -2.686) 2.769 10.020 ( -0.001 -0.526 -2.517) 2.571 10.327 ( 0.340 1.800 1.143) 2.159 10.367 ( 0.665 -1.720 0.202) 1.855 12.925 ( 0.831 1.586 0.055) 1.791 12.948 ( 0.418 -0.335 -0.039) 0.537 13.306 ( -1.277 1.511 3.101) 3.678 13.347 ( -1.335 -1.780 4.460) 4.984 13.613 ( -1.287 6.884 -5.980) 9.209 13.767 ( -0.136 -5.327 -4.119) 6.735 13.878 ( -0.443 3.513 -2.268) 4.205 13.970 ( 2.658 -4.066 -4.014) 6.301 14.166 ( -0.972 -0.389 -2.034) 2.288 14.188 ( 1.607 -2.358 -3.376) 4.421 17.417 ( 0.871 4.512 4.801) 6.646 17.494 ( 1.129 -2.389 4.067) 4.850 23.361 ( 0.257 3.992 0.825) 4.084 23.442 ( 0.684 -3.096 -0.883) 3.291 25.021 ( 0.375 0.353 0.905) 1.041 25.030 ( 0.009 -0.391 0.888) 0.970 26.334 ( -0.126 0.262 0.750) 0.804 26.349 ( 0.357 -1.227 0.882) 1.552 26.477 ( 3.047 0.974 -2.143) 3.850 26.491 ( 1.025 -0.165 -2.230) 2.460 26.715 ( -2.529 2.766 1.410) 4.004 26.763 ( -1.503 -1.188 0.590) 2.004 27.145 ( -1.671 -0.698 -2.830) 3.360 27.166 ( -0.310 -2.537 -4.098) 4.830 27.917 ( 0.119 5.946 4.361) 7.374 28.043 ( 0.039 -5.621 2.817) 6.287 ======================= Grid point 64 (35/69) ======================= q-point: ( 0.11 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 7.753 6.103 4.766) 10.958 1.131 ( 1.258 8.097 5.005) 9.602 1.197 ( 4.826 -2.380 -2.057) 5.761 1.347 ( -1.303 3.512 0.526) 3.782 1.436 ( -2.115 -2.835 11.653) 12.178 1.554 ( 0.357 -6.335 4.487) 7.771 1.690 ( 4.191 2.672 -3.549) 6.108 1.703 ( 4.319 2.010 -1.017) 4.871 1.784 ( -0.396 1.850 -2.133) 2.851 1.899 ( 1.065 -7.092 -2.817) 7.705 1.970 ( -1.115 1.774 2.118) 2.979 1.996 ( 1.230 0.097 0.826) 1.484 2.075 ( -1.599 -1.394 -4.255) 4.755 2.096 ( 0.001 -2.347 -4.324) 4.920 2.188 ( 6.345 3.145 0.375) 7.092 2.220 ( 4.327 0.003 -4.360) 6.143 2.322 ( 3.762 5.757 -1.060) 6.959 2.403 ( -0.689 -1.240 -1.423) 2.009 2.458 ( 0.546 4.059 1.971) 4.545 2.515 ( 2.289 -3.233 -0.340) 3.976 2.541 ( -1.184 -1.935 -1.926) 2.976 2.598 ( 0.026 -4.838 0.748) 4.896 2.661 ( -3.690 2.938 0.443) 4.737 2.717 ( -1.339 -0.006 0.544) 1.445 2.793 ( -3.738 0.116 1.917) 4.203 2.829 ( -1.458 -0.546 -2.310) 2.786 2.899 ( 1.149 0.632 1.900) 2.308 2.902 ( 1.207 -2.005 4.089) 4.711 3.016 ( 1.150 0.923 3.235) 3.556 3.037 ( 1.744 -0.093 2.854) 3.346 3.101 ( 1.950 1.423 2.468) 3.452 3.164 ( -0.185 -3.005 2.148) 3.699 3.268 ( 0.440 0.655 -1.396) 1.604 3.277 ( -2.931 -1.464 -3.230) 4.601 3.392 ( -1.123 2.090 -0.043) 2.373 3.420 ( -0.203 -0.336 2.924) 2.950 3.557 ( 2.908 0.590 -2.176) 3.680 3.592 ( 1.882 -2.510 -4.140) 5.194 3.879 ( 0.678 2.719 -1.505) 3.180 3.898 ( 0.681 0.513 -1.104) 1.395 4.138 ( -2.463 0.297 2.014) 3.195 4.231 ( -2.933 -5.412 2.049) 6.487 4.277 ( -0.794 2.277 -1.295) 2.737 4.346 ( 0.526 -2.745 -0.164) 2.800 4.727 ( -2.906 1.744 -0.079) 3.390 4.737 ( 1.374 -0.502 1.787) 2.309 4.763 ( 0.100 -1.914 2.149) 2.880 4.789 ( -0.719 -1.541 1.104) 2.027 5.234 ( -2.947 9.706 -4.526) 11.107 5.397 ( 2.034 -4.577 -6.803) 8.448 5.596 ( -1.119 -1.127 1.455) 2.154 5.614 ( -0.591 -2.082 1.206) 2.477 5.943 ( -3.386 5.737 0.845) 6.715 6.072 ( -6.220 -5.148 -6.556) 10.400 8.269 ( 1.404 0.329 -0.660) 1.586 8.307 ( 4.633 -2.987 0.643) 5.550 8.682 ( -3.054 4.139 5.749) 7.714 8.748 ( 0.792 -2.223 3.239) 4.008 8.875 ( 0.581 3.647 0.269) 3.703 8.949 ( -4.117 -1.683 -1.753) 4.780 9.999 ( 2.845 0.763 -2.630) 3.949 10.026 ( 4.340 -1.504 -2.096) 5.049 10.345 ( 0.145 2.046 0.571) 2.129 10.384 ( 1.157 -1.280 0.147) 1.732 12.944 ( 0.720 1.306 0.333) 1.528 12.962 ( 1.390 -0.148 0.053) 1.399 13.304 ( -3.000 2.113 2.356) 4.361 13.359 ( -3.440 -2.591 4.296) 6.082 13.558 ( 1.113 3.411 -2.066) 4.140 13.675 ( -2.507 -6.343 -4.593) 8.223 13.868 ( 1.279 4.247 -0.968) 4.540 13.963 ( 3.068 -4.248 -4.904) 7.177 14.114 ( -2.573 1.698 -1.866) 3.603 14.160 ( -1.446 -2.106 -2.906) 3.869 17.464 ( -2.011 4.097 4.265) 6.247 17.521 ( -2.499 -0.827 2.043) 3.332 23.365 ( -1.136 2.994 1.066) 3.375 23.418 ( -1.904 -1.678 -0.815) 2.666 25.035 ( 0.109 0.592 0.525) 0.799 25.048 ( 0.802 -0.488 0.892) 1.295 26.369 ( 2.552 0.190 0.425) 2.594 26.387 ( 1.671 -1.234 0.796) 2.224 26.514 ( 5.738 1.588 -2.781) 6.571 26.535 ( 7.811 -0.293 -2.732) 8.281 26.704 ( -0.820 2.675 1.144) 3.022 26.758 ( -0.774 -1.882 1.466) 2.508 27.099 ( 0.428 0.165 -2.210) 2.257 27.135 ( 1.629 -2.901 -2.178) 3.977 27.923 ( -5.780 3.894 4.558) 8.328 28.010 ( -6.418 -4.193 1.040) 7.737 ======================= Grid point 65 (36/69) ======================= q-point: ( 0.22 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 8.295 4.631 0.301) 9.505 1.300 ( 7.885 7.756 4.659) 12.002 1.319 ( 6.752 -4.170 3.317) 8.602 1.418 ( 10.870 2.532 4.787) 12.144 1.547 ( -0.626 -1.702 10.211) 10.371 1.586 ( -0.889 -0.547 4.133) 4.263 1.723 ( 1.452 0.398 -3.704) 3.998 1.765 ( 0.951 2.250 2.514) 3.505 1.796 ( 8.873 -1.739 -2.834) 9.475 1.887 ( 2.974 -4.982 -4.303) 7.223 1.946 ( -0.170 3.277 -2.930) 4.399 1.988 ( -3.258 1.034 -0.446) 3.447 2.025 ( -0.800 -2.700 -3.219) 4.276 2.039 ( -0.676 -3.279 0.058) 3.349 2.216 ( 2.781 2.590 -3.247) 4.999 2.268 ( 1.927 -0.821 -2.767) 3.470 2.371 ( 5.868 0.554 -0.568) 5.921 2.429 ( 3.000 -2.519 0.004) 3.918 2.472 ( -6.364 1.760 3.244) 7.357 2.499 ( -0.952 1.457 0.153) 1.747 2.555 ( 1.189 2.046 0.037) 2.367 2.571 ( -3.686 -1.503 -1.576) 4.281 2.623 ( 1.103 -1.560 0.813) 2.076 2.701 ( -1.059 -6.847 -3.885) 7.944 2.739 ( -2.927 0.858 0.698) 3.129 2.802 ( -1.725 -3.740 3.598) 5.469 2.928 ( -0.956 4.828 1.433) 5.126 2.967 ( 2.781 2.973 0.283) 4.080 3.020 ( 0.062 1.672 -1.393) 2.177 3.095 ( 0.209 -4.128 -0.783) 4.207 3.128 ( -1.032 0.613 1.282) 1.757 3.171 ( -0.170 -2.056 1.759) 2.711 3.214 ( -0.362 4.077 -0.891) 4.189 3.282 ( 0.621 -1.793 2.547) 3.177 3.390 ( 1.535 5.543 -0.211) 5.755 3.483 ( 2.426 -2.723 2.321) 4.323 3.587 ( 2.978 0.694 -1.413) 3.369 3.603 ( 3.102 -1.063 -1.596) 3.647 3.869 ( 0.849 3.269 -1.872) 3.862 3.896 ( 0.939 0.457 -0.953) 1.414 4.121 ( -2.149 -1.691 1.620) 3.178 4.168 ( -3.712 -5.044 -1.750) 6.502 4.270 ( -1.452 4.818 2.030) 5.426 4.356 ( -0.110 -2.790 0.552) 2.846 4.663 ( -4.313 2.006 -0.215) 4.761 4.717 ( -3.766 -2.457 -0.518) 4.527 4.807 ( 2.481 0.762 2.197) 3.401 4.853 ( 1.960 -2.540 5.140) 6.060 5.116 ( -4.111 9.602 -4.119) 11.228 5.304 ( -2.123 -7.263 -8.669) 11.507 5.589 ( -1.480 -0.117 0.874) 1.723 5.617 ( -0.440 -2.176 0.842) 2.374 5.875 ( -5.109 2.704 -0.296) 5.788 5.935 ( -4.171 -2.608 -0.333) 4.931 8.310 ( 3.092 3.294 0.214) 4.523 8.406 ( 4.398 -4.574 1.130) 6.445 8.705 ( -2.455 5.490 5.725) 8.303 8.803 ( 1.410 -1.532 -0.774) 2.222 8.819 ( -4.687 1.263 -2.466) 5.444 8.869 ( -1.324 -2.703 0.923) 3.148 10.031 ( 3.787 2.948 -1.576) 5.052 10.100 ( 5.859 -2.848 -0.556) 6.539 10.344 ( -0.071 2.490 -0.450) 2.532 10.403 ( 1.054 -2.287 -0.280) 2.533 12.956 ( 0.755 1.808 0.009) 1.959 12.990 ( 1.686 -1.153 -0.059) 2.043 13.266 ( -3.765 2.689 1.080) 4.750 13.339 ( -4.043 -3.530 3.018) 6.158 13.593 ( 3.274 0.393 0.406) 3.322 13.625 ( 0.372 -1.913 -0.074) 1.950 13.895 ( 1.439 2.837 1.554) 3.541 13.954 ( 3.000 -1.382 -5.798) 6.672 14.030 ( -4.842 0.532 -1.508) 5.099 14.081 ( -3.645 -2.858 -2.588) 5.306 17.450 ( -3.623 2.376 1.774) 4.681 17.469 ( -4.165 0.857 -0.556) 4.289 23.349 ( -1.922 2.085 0.493) 2.878 23.372 ( -2.547 0.017 -0.475) 2.591 25.040 ( 0.201 1.266 0.071) 1.284 25.068 ( 0.630 -1.165 0.410) 1.386 26.397 ( 1.128 0.337 -0.893) 1.478 26.412 ( 0.960 -1.196 0.253) 1.554 26.603 ( 7.683 2.438 -2.184) 8.351 26.659 ( 7.978 -2.407 -1.055) 8.400 26.715 ( 1.821 2.936 0.176) 3.460 26.773 ( 1.692 -1.849 0.822) 2.638 27.115 ( 3.185 1.788 -0.365) 3.671 27.177 ( 4.031 -3.219 1.047) 5.264 27.840 ( -9.622 1.071 3.401) 10.262 27.874 ( -9.684 -2.220 -0.772) 9.965 ======================= Grid point 66 (37/69) ======================= q-point: ( 0.33 0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 4.806 4.469 -1.407) 6.712 1.390 ( 5.467 -2.926 -3.559) 7.150 1.525 ( 8.477 5.131 1.874) 10.085 1.590 ( -1.957 3.748 0.537) 4.262 1.629 ( 3.722 -3.775 0.279) 5.308 1.647 ( 3.383 2.170 1.052) 4.155 1.728 ( 4.733 4.530 1.695) 6.767 1.825 ( 2.491 -4.005 -1.899) 5.084 1.864 ( 0.439 2.477 -1.447) 2.902 1.927 ( 2.383 2.173 -1.193) 3.438 1.947 ( 0.192 0.905 3.533) 3.652 1.980 ( 0.898 -4.666 3.049) 5.645 1.995 ( 7.717 1.842 2.108) 8.209 2.082 ( 2.322 -4.399 3.407) 6.029 2.226 ( 0.534 0.273 -1.843) 1.939 2.249 ( 1.252 -2.227 -1.240) 2.840 2.344 ( -7.631 3.011 0.268) 8.207 2.428 ( -5.860 -0.092 1.422) 6.031 2.467 ( 3.075 0.714 2.926) 4.304 2.479 ( -1.958 0.647 0.413) 2.103 2.533 ( -2.758 -4.336 -0.904) 5.218 2.537 ( -0.233 0.757 -3.759) 3.841 2.620 ( -1.765 -4.723 1.092) 5.159 2.648 ( 2.268 -6.194 -2.247) 6.968 2.749 ( 1.433 0.471 -0.180) 1.519 2.798 ( -1.487 -1.908 -0.428) 2.456 2.885 ( -0.934 4.640 -3.424) 5.842 2.974 ( -2.787 -2.862 -3.686) 5.436 2.994 ( 1.881 2.832 0.763) 3.484 3.079 ( 0.327 -3.466 -0.368) 3.501 3.140 ( 0.317 2.384 0.526) 2.461 3.194 ( -0.285 -1.778 0.998) 2.059 3.230 ( 0.189 7.504 2.921) 8.054 3.347 ( 2.080 -2.005 2.846) 4.056 3.427 ( 2.437 6.239 0.731) 6.737 3.515 ( 0.365 -2.035 -0.921) 2.264 3.628 ( 2.968 -0.096 -0.540) 3.018 3.634 ( 2.783 -0.272 -1.283) 3.077 3.867 ( 2.469 4.857 -3.364) 6.403 3.912 ( 2.001 1.151 -0.652) 2.399 4.087 ( -3.670 -2.348 -1.124) 4.499 4.103 ( -2.123 -3.254 0.868) 3.981 4.264 ( -1.622 4.134 1.376) 4.649 4.346 ( -1.482 -2.580 -0.073) 2.976 4.592 ( -4.159 1.941 0.792) 4.657 4.643 ( -4.860 -1.341 1.081) 5.156 4.854 ( 1.781 2.119 -1.364) 3.085 4.930 ( 1.083 -4.333 1.826) 4.826 5.059 ( -0.435 4.161 2.417) 4.832 5.168 ( -3.288 -5.680 -3.967) 7.669 5.572 ( -1.259 1.944 0.465) 2.362 5.619 ( -0.336 -2.171 0.401) 2.233 5.810 ( -2.663 2.954 0.311) 3.989 5.894 ( -3.130 -4.856 2.203) 6.183 8.327 ( -0.111 5.396 -2.731) 6.049 8.437 ( 0.300 -3.902 -2.650) 4.727 8.713 ( -2.377 6.479 -1.548) 7.073 8.736 ( -0.797 4.830 4.557) 6.688 8.830 ( 1.606 -4.983 0.786) 5.294 8.899 ( 0.953 -6.537 1.901) 6.875 10.080 ( 2.718 4.938 0.491) 5.658 10.185 ( 4.387 -3.598 0.206) 5.677 10.339 ( 0.241 2.100 -0.420) 2.155 10.410 ( 0.755 -3.266 -0.915) 3.475 12.969 ( 0.973 1.916 -0.539) 2.216 13.013 ( 1.547 -1.858 -0.567) 2.483 13.217 ( -3.230 3.246 0.811) 4.651 13.303 ( -3.337 -4.308 1.591) 5.677 13.645 ( 3.354 2.451 0.104) 4.156 13.681 ( 2.833 0.081 2.498) 3.778 13.854 ( -2.319 3.758 -8.003) 9.140 13.927 ( -5.537 0.271 -0.551) 5.571 13.991 ( 3.077 -2.766 1.853) 4.534 14.028 ( -1.541 -3.578 3.251) 5.074 17.392 ( -2.795 1.472 -1.934) 3.704 17.402 ( -2.962 0.537 -0.365) 3.032 23.318 ( -1.628 1.636 -0.549) 2.372 23.327 ( -2.107 0.870 -0.614) 2.361 25.045 ( 0.286 1.397 -0.060) 1.427 25.077 ( 0.320 -1.482 -0.127) 1.521 26.405 ( 1.062 0.423 -0.248) 1.170 26.427 ( 0.544 -1.870 0.572) 2.030 26.672 ( 0.742 1.055 1.401) 1.904 26.719 ( 0.150 -2.613 2.334) 3.507 26.776 ( 7.131 5.024 -3.524) 9.408 26.868 ( 8.839 -2.042 -1.771) 9.243 27.188 ( 4.935 3.954 1.065) 6.413 27.273 ( 4.387 -2.743 2.888) 5.925 27.684 ( -10.182 -0.908 -2.221) 10.461 27.706 ( -10.237 -2.345 0.997) 10.549 ======================= Grid point 67 (38/69) ======================= q-point: ( 0.44 0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 1.338 3.221 -4.476) 5.674 1.390 ( 2.217 -1.639 -8.211) 8.662 1.552 ( 0.609 2.533 -1.688) 3.104 1.580 ( 4.963 2.848 -7.139) 9.149 1.658 ( -2.135 0.450 -0.312) 2.204 1.698 ( 1.750 -2.364 -0.643) 3.011 1.747 ( 2.284 4.119 -5.257) 7.058 1.823 ( -3.441 3.079 -2.549) 5.274 1.872 ( -2.263 0.063 1.368) 2.645 1.884 ( 2.479 -5.133 1.818) 5.983 2.020 ( -0.021 2.612 6.339) 6.856 2.077 ( -1.301 -1.509 6.314) 6.621 2.123 ( 4.093 1.239 1.497) 4.531 2.185 ( -1.112 1.481 -0.691) 1.977 2.203 ( -1.615 -1.506 1.135) 2.482 2.250 ( 2.182 -1.414 0.940) 2.765 2.310 ( -1.142 -1.412 -1.011) 2.079 2.347 ( -1.314 -1.744 1.341) 2.562 2.446 ( -1.733 0.399 -0.800) 1.950 2.477 ( -1.330 1.218 2.804) 3.334 2.513 ( 2.664 -1.591 2.431) 3.942 2.555 ( 0.275 1.760 4.082) 4.453 2.576 ( -1.169 -4.240 -0.202) 4.403 2.671 ( -0.459 -3.842 1.579) 4.179 2.774 ( 0.124 -0.226 -0.596) 0.650 2.801 ( 2.704 -3.946 -0.300) 4.793 2.870 ( 3.620 2.645 -2.748) 5.258 2.921 ( 1.108 -1.510 -0.156) 1.880 3.027 ( 0.955 0.912 -1.293) 1.848 3.066 ( 0.536 -2.040 -1.782) 2.761 3.129 ( -2.453 2.155 1.419) 3.560 3.178 ( -2.782 -1.784 0.924) 3.431 3.258 ( -0.625 8.213 0.265) 8.242 3.367 ( -1.149 -0.167 0.082) 1.164 3.472 ( -0.207 1.789 -1.801) 2.547 3.497 ( 1.577 -0.076 -0.901) 1.818 3.639 ( 0.983 2.121 -2.489) 3.414 3.676 ( 2.533 -0.961 -0.529) 2.761 3.875 ( 3.358 4.672 -2.694) 6.353 3.933 ( 1.919 2.340 -1.506) 3.380 4.027 ( -2.416 -1.276 -0.716) 2.825 4.068 ( -2.058 -2.909 -0.917) 3.680 4.254 ( -0.874 2.391 0.399) 2.577 4.315 ( -1.427 -2.088 -0.593) 2.598 4.562 ( -1.637 1.893 2.336) 3.424 4.604 ( -2.393 -0.598 2.546) 3.545 4.841 ( 0.571 1.601 -3.110) 3.545 4.904 ( -0.812 -3.998 -4.658) 6.192 5.127 ( -0.887 0.840 7.434) 7.533 5.178 ( 3.414 -4.383 6.576) 8.609 5.561 ( -0.724 2.558 0.423) 2.692 5.613 ( -0.521 -2.099 -0.167) 2.169 5.787 ( -1.135 2.691 1.067) 3.110 5.871 ( -2.367 -5.061 1.561) 5.801 8.274 ( 0.513 4.250 -5.038) 6.611 8.366 ( -0.655 -4.173 -7.538) 8.641 8.688 ( -1.185 8.970 0.868) 9.090 8.790 ( -0.026 2.515 4.973) 5.573 8.864 ( 0.455 -4.042 1.203) 4.242 8.919 ( -0.342 -5.516 1.082) 5.631 10.128 ( 1.013 4.991 2.333) 5.602 10.241 ( 1.570 -4.027 0.632) 4.368 10.343 ( 0.389 1.668 0.053) 1.714 10.411 ( 0.786 -3.365 -0.971) 3.590 12.969 ( 0.522 2.610 -1.477) 3.044 13.023 ( 0.670 -1.960 -1.158) 2.373 13.189 ( -1.491 3.150 1.287) 3.715 13.277 ( -1.677 -4.779 1.265) 5.220 13.690 ( -0.394 5.538 -2.779) 6.208 13.716 ( 0.387 3.684 -1.181) 3.888 13.774 ( 4.230 -2.070 -1.246) 4.872 13.801 ( -5.000 -3.451 -4.543) 7.586 14.066 ( 0.526 0.022 5.673) 5.698 14.096 ( 0.877 -2.272 6.940) 7.354 17.342 ( -0.360 1.120 -2.062) 2.374 17.358 ( -0.859 -0.272 -1.478) 1.731 23.288 ( -0.498 1.411 -1.245) 1.947 23.293 ( -0.701 1.105 -1.143) 1.737 25.047 ( 0.112 1.201 -0.050) 1.207 25.077 ( 0.082 -1.392 -0.470) 1.471 26.428 ( 0.853 0.171 1.273) 1.542 26.447 ( 0.343 -1.925 1.662) 2.566 26.684 ( -0.917 0.790 1.419) 1.865 26.735 ( -2.085 -3.441 3.222) 5.155 26.848 ( 5.816 7.207 -3.259) 9.818 26.964 ( 4.722 -2.474 -1.501) 5.538 27.291 ( 5.513 5.864 0.854) 8.093 27.378 ( 1.833 0.544 4.669) 5.046 27.502 ( -4.833 -3.419 -5.102) 7.815 27.545 ( -8.963 -4.969 -1.168) 10.315 ======================= Grid point 68 (39/69) ======================= q-point: (-0.44 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -1.674 2.394 -9.124) 9.581 1.285 ( -0.902 -1.971 -11.146) 11.355 1.518 ( -5.393 5.076 1.434) 7.544 1.541 ( -6.971 3.474 -1.813) 7.997 1.595 ( -0.606 -0.941 -2.575) 2.808 1.663 ( 0.954 -0.672 -5.630) 5.749 1.699 ( -3.256 -1.705 -2.216) 4.292 1.758 ( 1.931 -0.536 -3.264) 3.830 1.874 ( -1.654 1.420 0.964) 2.384 1.948 ( 1.880 -3.358 1.902) 4.292 2.038 ( -1.882 0.000 -0.694) 2.006 2.084 ( -4.083 -3.145 -1.650) 5.411 2.113 ( -1.321 1.815 6.118) 6.517 2.176 ( -0.150 -0.362 0.309) 0.499 2.212 ( -0.298 -0.615 4.845) 4.893 2.295 ( 2.236 -4.952 1.631) 5.673 2.326 ( 3.958 2.143 1.526) 4.753 2.350 ( -0.117 -0.717 0.574) 0.926 2.467 ( -0.043 3.218 3.146) 4.501 2.502 ( 0.316 -0.249 3.155) 3.181 2.543 ( -3.911 -2.736 3.086) 5.684 2.594 ( 3.385 -5.497 2.608) 6.963 2.680 ( 3.534 4.544 3.630) 6.806 2.704 ( 1.266 1.244 -0.770) 1.935 2.753 ( -0.263 -0.856 -0.115) 0.902 2.808 ( -2.179 -3.950 0.240) 4.518 2.891 ( 0.481 2.598 -1.464) 3.021 2.959 ( 2.084 -2.149 -1.931) 3.562 3.018 ( 0.848 3.155 -0.900) 3.389 3.067 ( 1.275 -1.577 -1.741) 2.673 3.117 ( -0.283 2.626 1.888) 3.247 3.160 ( -3.118 0.597 1.415) 3.476 3.213 ( -1.048 3.588 1.115) 3.901 3.308 ( -4.651 -2.586 -2.773) 6.001 3.422 ( -0.609 4.795 -2.402) 5.398 3.501 ( -0.251 -1.052 -2.345) 2.583 3.615 ( 1.226 4.173 -3.833) 5.797 3.688 ( 0.220 -2.363 -1.727) 2.935 3.913 ( 1.775 1.857 0.589) 2.636 3.942 ( 0.630 0.935 -1.185) 1.636 3.988 ( -0.307 0.133 -0.972) 1.028 4.023 ( -0.310 -2.296 -2.767) 3.609 4.246 ( -0.166 2.492 0.034) 2.497 4.302 ( 1.005 -1.878 -0.855) 2.295 4.585 ( 0.902 1.458 2.375) 2.930 4.619 ( 1.336 -0.812 1.841) 2.415 4.813 ( -0.341 0.684 -1.827) 1.980 4.838 ( -1.439 -1.236 -3.312) 3.817 5.203 ( -0.875 4.558 8.077) 9.316 5.356 ( 5.953 -9.051 7.422) 13.132 5.558 ( -0.159 1.793 0.371) 1.838 5.599 ( -0.454 -1.882 -0.589) 2.024 5.798 ( 0.215 2.751 1.968) 3.389 5.867 ( 0.590 -3.516 1.408) 3.833 8.235 ( 1.893 0.868 -6.104) 6.449 8.276 ( 2.098 -2.904 -8.500) 9.224 8.675 ( -2.268 8.174 1.837) 8.680 8.807 ( -1.802 -2.815 -0.534) 3.385 8.893 ( 0.113 1.438 4.012) 4.263 8.926 ( -1.314 -1.757 2.506) 3.331 10.164 ( -0.739 3.087 3.250) 4.543 10.247 ( -1.601 -3.964 0.513) 4.305 10.351 ( 0.200 1.981 0.349) 2.021 10.410 ( 0.340 -2.892 -1.076) 3.104 12.958 ( 0.150 2.919 -1.044) 3.103 13.006 ( -0.238 -1.090 -2.053) 2.336 13.198 ( 0.245 2.688 1.814) 3.252 13.273 ( -0.747 -3.907 0.944) 4.088 13.618 ( -0.714 1.631 -2.006) 2.683 13.673 ( -3.897 -3.304 -4.045) 6.517 13.755 ( 2.998 4.306 -0.844) 5.315 13.843 ( 5.048 -3.274 -1.490) 6.198 14.146 ( -0.031 1.708 6.693) 6.908 14.181 ( 0.096 -1.027 5.898) 5.987 17.324 ( 0.865 1.003 -2.250) 2.611 17.344 ( 1.687 -0.631 -1.939) 2.647 23.275 ( 0.798 1.461 -1.474) 2.223 23.281 ( 1.195 0.963 -1.471) 2.126 25.047 ( -0.189 0.928 0.010) 0.947 25.069 ( -0.208 -1.077 -0.676) 1.288 26.455 ( -0.286 0.334 2.243) 2.285 26.474 ( -0.188 -1.526 2.276) 2.746 26.674 ( -1.438 0.497 -0.159) 1.530 26.723 ( -2.487 -3.174 0.875) 4.126 26.886 ( 0.733 6.874 0.800) 6.959 26.997 ( -1.213 -2.163 2.916) 3.828 27.268 ( -5.453 3.508 -3.221) 7.240 27.361 ( -7.884 -5.679 -4.236) 10.600 27.445 ( 6.559 4.981 0.725) 8.268 27.554 ( 8.067 -5.153 0.140) 9.574 ======================= Grid point 69 (40/69) ======================= q-point: (-0.33 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -5.663 3.706 -7.597) 10.175 1.163 ( -0.654 -3.247 -5.033) 6.025 1.360 ( -9.675 7.262 -3.072) 12.481 1.446 ( -5.958 1.062 3.181) 6.837 1.519 ( -5.860 0.340 -0.188) 5.873 1.627 ( -2.067 0.635 1.718) 2.762 1.675 ( -0.347 -6.032 -2.947) 6.722 1.727 ( 0.102 -4.782 -1.316) 4.961 1.859 ( 2.215 4.831 -2.372) 5.820 1.974 ( -3.100 0.517 2.567) 4.058 1.984 ( -2.517 -5.874 -2.078) 6.720 2.029 ( -0.686 -3.143 1.080) 3.394 2.173 ( 0.710 2.673 5.260) 5.943 2.225 ( 2.401 0.603 3.064) 3.939 2.282 ( 1.737 1.114 1.758) 2.710 2.344 ( -2.712 0.519 -0.494) 2.805 2.363 ( 2.561 -3.745 -0.554) 4.570 2.369 ( 1.820 -2.502 0.206) 3.101 2.480 ( -1.842 4.204 2.366) 5.164 2.523 ( -0.361 3.026 1.791) 3.535 2.603 ( 3.164 -0.739 3.268) 4.608 2.612 ( -4.798 1.836 0.287) 5.145 2.642 ( -5.816 3.349 -1.435) 6.863 2.731 ( 3.992 -1.150 0.401) 4.174 2.747 ( -0.952 -2.131 0.827) 2.476 2.784 ( 0.191 -2.148 0.286) 2.175 2.844 ( -2.797 2.585 -2.136) 4.367 2.946 ( -1.030 -3.441 -5.099) 6.237 2.988 ( 1.159 5.561 -4.557) 7.282 3.066 ( -3.998 2.045 2.993) 5.396 3.097 ( 0.704 -2.641 0.355) 2.756 3.175 ( -3.379 -4.648 2.443) 6.244 3.226 ( 2.734 1.809 0.911) 3.403 3.286 ( 1.533 -0.629 4.236) 4.549 3.380 ( -1.290 3.510 -2.250) 4.364 3.436 ( -2.919 -1.029 -3.517) 4.685 3.600 ( 2.397 2.763 -3.588) 5.123 3.658 ( 0.395 -2.688 -2.840) 3.930 3.909 ( -2.126 0.727 -1.126) 2.513 3.925 ( -0.833 -0.532 0.027) 0.989 3.999 ( 2.369 0.575 -1.138) 2.690 4.030 ( 3.070 -1.874 0.261) 3.606 4.256 ( 1.150 3.390 0.274) 3.590 4.318 ( 1.778 -1.972 -0.577) 2.717 4.636 ( 2.414 2.718 1.173) 3.820 4.689 ( 3.958 -1.758 1.223) 4.500 4.781 ( -1.835 -0.328 -1.284) 2.263 4.786 ( -1.231 -1.092 -0.674) 1.779 5.271 ( -0.202 8.700 4.551) 9.820 5.468 ( 1.949 -8.193 -0.662) 8.447 5.574 ( 0.667 0.199 1.565) 1.712 5.600 ( 0.494 -2.428 1.058) 2.694 5.838 ( 1.918 4.867 1.983) 5.594 5.958 ( 6.528 -5.502 4.585) 9.691 8.190 ( 2.137 0.836 -5.791) 6.229 8.246 ( 3.759 -3.936 -5.823) 7.970 8.663 ( -2.989 5.993 3.512) 7.562 8.754 ( -2.610 -1.810 -1.043) 3.343 8.927 ( -1.584 1.688 1.548) 2.785 8.942 ( 0.296 0.664 2.763) 2.857 10.171 ( -2.906 0.744 2.709) 4.042 10.207 ( -3.586 -2.414 0.388) 4.340 10.351 ( -0.520 1.541 -0.058) 1.627 10.394 ( -0.358 -2.136 -1.547) 2.662 12.953 ( -0.009 2.219 -0.212) 2.229 12.976 ( -0.211 0.369 -1.928) 1.974 13.228 ( 0.503 1.526 1.609) 2.274 13.269 ( -0.380 -2.005 0.213) 2.051 13.592 ( -0.944 0.554 -1.064) 1.527 13.646 ( 2.848 -3.895 2.211) 5.307 13.788 ( 2.817 4.939 -1.566) 5.897 13.897 ( 4.685 -4.710 -3.141) 7.348 14.202 ( -1.116 2.633 3.742) 4.710 14.240 ( 0.207 -0.498 4.055) 4.091 17.314 ( 1.319 2.064 -2.547) 3.534 17.359 ( 2.876 -1.821 -2.365) 4.144 23.281 ( 1.836 1.931 -1.249) 2.943 23.299 ( 2.935 0.513 -1.314) 3.257 25.042 ( -0.480 0.499 0.089) 0.698 25.054 ( -0.646 -0.585 -0.759) 1.156 26.464 ( -1.845 0.885 1.933) 2.815 26.481 ( -2.103 -0.524 1.506) 2.639 26.629 ( -2.548 -0.352 -1.732) 3.101 26.671 ( -3.267 -3.421 -1.599) 4.993 26.885 ( -4.067 6.382 2.731) 8.045 26.991 ( -6.829 -1.980 6.072) 9.350 27.176 ( -2.415 -0.345 -0.990) 2.633 27.208 ( -2.160 -3.884 -3.758) 5.820 27.569 ( 8.283 6.469 -0.980) 10.555 27.693 ( 8.766 -4.927 -0.702) 10.080 ======================= Grid point 70 (41/69) ======================= q-point: (-0.22 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -2.498 11.375 3.724) 12.227 1.143 ( -2.494 4.345 1.992) 5.391 1.186 ( -6.607 4.788 0.435) 8.171 1.406 ( -3.452 -4.887 3.588) 6.977 1.432 ( -5.060 -0.178 1.027) 5.166 1.578 ( -5.585 -8.524 0.470) 10.202 1.659 ( 2.465 1.867 -0.920) 3.226 1.749 ( 1.859 -4.988 0.084) 5.324 1.869 ( 0.601 4.421 -1.353) 4.663 1.910 ( -1.928 -1.328 -0.956) 2.529 1.971 ( -3.107 0.140 2.693) 4.114 2.006 ( -2.695 -0.542 -2.752) 3.890 2.211 ( -8.350 9.011 -3.431) 12.755 2.232 ( -3.751 -1.234 -4.901) 6.294 2.243 ( -3.787 1.151 2.612) 4.742 2.276 ( -2.357 1.865 3.252) 4.429 2.316 ( 0.259 -2.619 0.588) 2.697 2.403 ( -0.718 -0.383 0.927) 1.233 2.501 ( 0.523 2.399 -2.354) 3.402 2.510 ( 0.557 -1.034 1.492) 1.899 2.565 ( 1.772 2.820 -0.450) 3.361 2.595 ( 1.419 -1.028 1.689) 2.434 2.703 ( 1.051 2.351 1.497) 2.979 2.753 ( -1.792 -1.651 -1.569) 2.898 2.769 ( 0.437 -1.707 1.919) 2.605 2.785 ( 2.484 1.167 -3.496) 4.445 2.799 ( 1.052 -0.886 0.107) 1.380 2.881 ( 0.956 -1.558 -3.625) 4.060 2.966 ( 0.898 -1.532 -1.817) 2.540 3.016 ( -4.323 -2.742 1.206) 5.259 3.070 ( -3.741 1.540 -0.808) 4.125 3.155 ( -4.546 -5.277 4.317) 8.194 3.310 ( 3.102 1.514 0.417) 3.476 3.345 ( 0.838 1.203 2.917) 3.265 3.357 ( -0.615 -0.607 -0.653) 1.083 3.367 ( -0.474 0.132 2.351) 2.402 3.602 ( 2.118 2.594 -3.021) 4.510 3.655 ( 3.192 -2.254 -3.150) 5.019 3.861 ( -0.462 1.575 -2.527) 3.014 3.907 ( -0.286 -1.940 -1.201) 2.299 4.045 ( 2.170 1.235 2.126) 3.280 4.095 ( 2.270 -2.465 3.023) 4.513 4.281 ( 1.190 3.337 0.164) 3.546 4.346 ( 2.228 -3.117 -0.392) 3.851 4.676 ( 1.540 4.008 -0.079) 4.295 4.729 ( -0.632 0.508 -0.079) 0.815 4.760 ( 0.445 -2.779 -0.368) 2.839 4.768 ( -0.737 -3.146 0.925) 3.362 5.307 ( 1.721 8.552 0.075) 8.724 5.454 ( 1.001 -5.076 -4.007) 6.544 5.597 ( 0.027 0.154 1.040) 1.052 5.616 ( -0.700 -2.021 1.306) 2.506 5.903 ( 3.560 9.346 0.750) 10.029 6.142 ( 8.557 -11.071 2.873) 14.285 8.189 ( 3.461 2.701 -2.032) 4.838 8.262 ( 3.219 -3.842 -1.173) 5.147 8.656 ( -3.678 4.775 4.571) 7.564 8.722 ( -1.297 -1.247 2.106) 2.770 8.893 ( -2.636 2.666 -1.761) 4.142 8.956 ( -0.292 -2.405 -1.032) 2.633 10.126 ( -4.400 0.481 0.650) 4.474 10.148 ( -4.194 -1.372 0.098) 4.414 10.334 ( -1.022 1.133 -0.305) 1.556 10.370 ( -0.272 -1.948 -1.385) 2.406 12.938 ( -0.389 2.197 -1.362) 2.614 12.964 ( -0.308 0.005 -0.227) 0.383 13.251 ( 0.460 0.483 1.492) 1.634 13.276 ( 0.410 -1.524 1.073) 1.908 13.623 ( 3.082 5.296 2.889) 6.774 13.724 ( 2.793 -1.464 -0.048) 3.154 13.832 ( 4.139 1.219 0.991) 4.427 13.926 ( 4.132 -5.385 -4.049) 7.904 14.196 ( -1.389 4.024 -0.712) 4.316 14.273 ( -0.019 -2.517 0.679) 2.607 17.313 ( 1.632 3.170 -1.391) 3.827 17.380 ( 2.712 -2.793 -1.734) 4.262 23.305 ( 2.259 2.895 -0.508) 3.707 23.346 ( 4.219 -0.411 -0.771) 4.309 25.030 ( -0.944 0.130 -0.351) 1.016 25.035 ( -0.746 -0.225 0.018) 0.780 26.430 ( -4.696 1.148 0.822) 4.904 26.443 ( -2.731 0.336 0.057) 2.752 26.557 ( -4.754 -1.162 -0.471) 4.917 26.588 ( -2.449 -3.886 -3.578) 5.823 26.822 ( -5.302 4.599 1.128) 7.109 26.899 ( -7.872 -1.810 0.978) 8.136 27.165 ( 0.410 0.536 2.075) 2.182 27.216 ( 0.569 -4.284 2.024) 4.772 27.695 ( 8.301 7.063 -0.510) 10.911 27.823 ( 8.235 -4.622 -0.629) 9.464 ======================= Grid point 71 (42/69) ======================= q-point: (-0.11 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -1.971 14.703 9.118) 17.413 1.042 ( -7.981 17.562 3.715) 19.645 1.233 ( 1.284 -2.781 6.547) 7.228 1.369 ( -4.395 -0.862 1.243) 4.648 1.411 ( -0.568 -10.844 1.073) 10.911 1.491 ( -2.564 -7.893 -3.286) 8.926 1.676 ( 0.616 2.969 -3.786) 4.851 1.742 ( -1.719 -0.505 -3.267) 3.726 1.844 ( -3.208 15.311 4.675) 16.327 1.875 ( -1.399 1.161 0.880) 2.019 1.893 ( -2.021 -1.428 -1.792) 3.055 1.962 ( -1.548 3.197 1.269) 3.772 2.086 ( -4.111 -3.764 -2.292) 6.026 2.108 ( 0.249 -3.038 -3.977) 5.011 2.192 ( -2.376 3.303 0.021) 4.069 2.295 ( -0.486 0.744 0.910) 1.272 2.358 ( 1.085 -3.259 0.874) 3.544 2.387 ( -2.643 1.071 0.910) 2.993 2.479 ( -1.961 -3.064 -1.690) 4.011 2.507 ( -0.437 -5.255 0.443) 5.291 2.574 ( 1.274 2.616 -2.223) 3.662 2.623 ( 1.771 -2.403 -2.223) 3.721 2.692 ( 0.411 1.888 -3.092) 3.646 2.758 ( 0.337 -2.557 1.984) 3.254 2.790 ( 1.298 2.144 -0.297) 2.524 2.797 ( 3.607 2.951 1.560) 4.914 2.840 ( 1.123 -0.909 1.046) 1.784 2.897 ( 0.805 -3.191 2.186) 3.950 2.932 ( -2.777 0.004 -2.594) 3.800 2.971 ( -1.898 -3.364 -3.072) 4.935 3.005 ( -3.391 3.996 4.126) 6.670 3.125 ( -1.996 -5.543 2.542) 6.417 3.317 ( -1.848 3.112 -0.047) 3.620 3.350 ( 1.651 -0.078 -0.099) 1.656 3.410 ( 0.828 -0.452 2.835) 2.988 3.417 ( -0.787 -0.877 3.533) 3.724 3.591 ( 1.630 3.242 -4.468) 5.756 3.664 ( 2.822 -3.093 -4.722) 6.311 3.848 ( 2.005 2.436 -1.807) 3.636 3.892 ( 0.402 -1.383 -1.303) 1.942 4.107 ( 0.668 0.980 3.906) 4.082 4.169 ( 0.684 -2.732 4.853) 5.611 4.296 ( 0.535 3.086 0.062) 3.133 4.371 ( 1.724 -5.331 -1.511) 5.803 4.700 ( 0.348 2.058 0.625) 2.179 4.719 ( 0.218 1.432 1.464) 2.060 4.751 ( -0.656 -2.310 -0.535) 2.460 4.775 ( -0.825 -3.612 1.943) 4.184 5.327 ( 2.277 7.120 -2.820) 7.990 5.426 ( 1.976 -2.346 -4.719) 5.628 5.599 ( -0.815 -0.164 0.808) 1.159 5.613 ( -1.246 -1.390 1.263) 2.253 5.955 ( 2.804 12.200 -1.078) 12.564 6.258 ( 5.328 -13.958 -3.567) 15.361 8.239 ( 2.429 3.643 0.500) 4.407 8.303 ( 0.949 -2.142 0.635) 2.427 8.656 ( -3.621 5.789 6.080) 9.143 8.761 ( -0.154 -3.964 4.433) 5.949 8.807 ( -2.236 3.645 -3.986) 5.846 8.926 ( 0.577 -5.833 -1.793) 6.129 10.062 ( -2.965 0.700 -1.093) 3.237 10.071 ( -3.491 -0.102 -1.510) 3.805 10.320 ( -0.594 1.251 0.362) 1.431 10.359 ( 0.280 -2.218 -0.371) 2.266 12.922 ( 0.123 2.150 -0.836) 2.310 12.951 ( -0.565 -0.449 -0.302) 0.783 13.281 ( 0.169 0.713 2.489) 2.595 13.308 ( 0.374 -1.432 3.080) 3.417 13.688 ( -0.001 6.269 -2.101) 6.612 13.749 ( 4.782 2.064 -1.929) 5.554 13.905 ( 0.582 -0.994 0.622) 1.309 13.951 ( 4.478 -4.618 -3.010) 7.102 14.166 ( 1.270 2.396 -2.498) 3.687 14.245 ( -1.104 -4.529 -3.733) 5.972 17.346 ( 2.126 3.987 2.023) 4.950 17.421 ( 2.511 -2.766 1.822) 4.157 23.338 ( 1.708 3.919 0.288) 4.284 23.410 ( 3.865 -2.129 -0.455) 4.436 25.015 ( -0.498 0.483 0.160) 0.712 25.027 ( -0.675 -0.560 0.581) 1.052 26.360 ( -3.516 0.565 0.145) 3.564 26.384 ( -4.538 -1.257 0.333) 4.720 26.483 ( -1.688 0.901 -1.298) 2.312 26.523 ( -1.114 -2.423 -2.688) 3.786 26.756 ( -4.358 3.023 1.391) 5.483 26.803 ( -3.831 -0.853 -0.281) 3.935 27.184 ( -0.254 -0.374 -0.372) 0.586 27.218 ( -1.120 -3.497 -1.396) 3.928 27.826 ( 5.739 6.774 2.401) 9.197 27.953 ( 6.153 -4.803 2.251) 8.124 ======================= Grid point 90 (43/69) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 3.448 0.000 18.234) 18.557 0.949 ( 1.381 0.000 18.685) 18.736 1.313 ( -9.917 0.000 -7.345) 12.341 1.326 ( 0.345 0.000 -6.011) 6.021 1.398 ( 7.619 0.000 0.890) 7.671 1.504 ( -7.817 0.000 4.242) 8.894 1.560 ( -3.113 0.000 6.978) 7.640 1.759 ( -2.385 0.000 5.979) 6.437 1.816 ( 3.995 0.000 -8.085) 9.018 1.828 ( 2.004 0.000 2.948) 3.564 1.904 ( 2.056 0.000 0.370) 2.089 1.917 ( -0.407 0.000 -1.560) 1.612 2.041 ( 3.444 0.000 -1.928) 3.947 2.109 ( -1.245 0.000 -5.685) 5.820 2.221 ( -1.772 0.000 2.452) 3.026 2.314 ( -1.195 0.000 -2.101) 2.417 2.384 ( 0.028 0.000 1.670) 1.670 2.431 ( 0.695 0.000 -0.883) 1.124 2.527 ( 6.587 0.000 2.179) 6.938 2.560 ( -7.827 0.000 0.542) 7.846 2.610 ( -1.506 0.000 0.571) 1.610 2.651 ( -6.055 0.000 -4.507) 7.548 2.651 ( 4.557 0.000 2.177) 5.050 2.680 ( 0.074 0.000 -0.871) 0.875 2.741 ( 0.939 0.000 -1.983) 2.194 2.749 ( 3.427 0.000 -5.816) 6.750 2.862 ( 0.700 0.000 -0.469) 0.843 2.889 ( -2.562 0.000 -3.465) 4.309 3.012 ( 1.738 0.000 6.203) 6.441 3.082 ( -3.171 0.000 3.540) 4.753 3.123 ( 0.100 0.000 -2.291) 2.294 3.134 ( 2.006 0.000 2.083) 2.892 3.219 ( 4.126 0.000 -3.987) 5.738 3.232 ( -0.606 0.000 -4.294) 4.336 3.480 ( 2.933 0.000 2.792) 4.050 3.507 ( -3.789 0.000 0.441) 3.815 3.551 ( -0.079 0.000 -0.556) 0.562 3.598 ( 1.149 0.000 -5.211) 5.336 3.812 ( 4.161 0.000 2.720) 4.971 3.889 ( -3.911 0.000 -3.744) 5.414 4.238 ( -1.038 0.000 5.290) 5.391 4.287 ( 3.696 0.000 1.142) 3.869 4.467 ( -8.072 0.000 -0.374) 8.080 4.514 ( 0.395 0.000 -4.710) 4.727 4.651 ( 4.170 0.000 3.735) 5.598 4.711 ( -3.273 0.000 -1.735) 3.704 4.858 ( -0.620 0.000 0.727) 0.956 4.886 ( -6.140 0.000 -2.377) 6.584 5.019 ( -7.773 0.000 2.968) 8.320 5.088 ( 15.762 0.000 -3.083) 16.060 5.712 ( 1.000 0.000 3.077) 3.236 5.749 ( -0.278 0.000 1.328) 1.357 5.896 ( 4.758 0.000 7.129) 8.571 6.134 ( -5.764 0.000 -12.450) 13.720 8.292 ( 3.899 0.000 3.656) 5.345 8.336 ( -0.856 0.000 -0.612) 1.052 8.617 ( -2.854 0.000 9.966) 10.366 8.815 ( 2.558 0.000 -6.314) 6.813 8.816 ( 1.435 0.000 2.760) 3.110 8.900 ( -4.048 0.000 -6.086) 7.309 9.985 ( -1.941 0.000 -0.721) 2.070 9.986 ( 2.757 0.000 -0.732) 2.852 10.310 ( -0.901 0.000 1.939) 2.138 10.360 ( -0.021 0.000 -2.563) 2.563 12.897 ( 1.307 0.000 1.201) 1.775 12.918 ( -1.553 0.000 -0.682) 1.697 13.312 ( -2.296 0.000 0.328) 2.319 13.317 ( 3.359 0.000 -0.347) 3.377 13.772 ( 2.884 0.000 3.436) 4.486 13.788 ( -0.498 0.000 5.796) 5.817 13.888 ( -2.456 0.000 -0.438) 2.494 14.008 ( 0.603 0.000 -6.765) 6.792 14.119 ( 4.555 0.000 -0.225) 4.560 14.136 ( -4.252 0.000 -2.670) 5.021 17.350 ( 0.810 0.000 4.108) 4.187 17.428 ( -0.551 0.000 -3.014) 3.064 23.316 ( -0.858 0.000 3.165) 3.279 23.386 ( 2.767 0.000 -3.135) 4.181 25.031 ( 1.800 0.000 0.662) 1.918 25.038 ( -1.756 0.000 -0.006) 1.756 26.353 ( -0.675 0.000 1.064) 1.260 26.381 ( 1.189 0.000 -1.415) 1.848 26.443 ( 3.377 0.000 1.269) 3.607 26.464 ( -4.131 0.000 -0.641) 4.180 26.663 ( -1.564 0.000 1.350) 2.066 26.692 ( 1.860 0.000 -1.010) 2.116 27.214 ( -3.131 0.000 -0.817) 3.236 27.221 ( 1.028 0.000 -1.829) 2.098 27.952 ( -0.367 0.000 9.975) 9.982 28.151 ( 1.018 0.000 -8.159) 8.223 ======================= Grid point 91 (44/69) ======================= q-point: ( 0.11 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 1.464 0.000 -12.862) 12.945 1.109 ( 3.920 0.000 -4.660) 6.089 1.217 ( 1.873 0.000 14.557) 14.677 1.270 ( 0.255 0.000 2.862) 2.873 1.498 ( 9.131 0.000 -2.653) 9.509 1.589 ( 8.267 0.000 4.407) 9.368 1.635 ( -4.330 0.000 10.440) 11.302 1.766 ( 0.991 0.000 -5.687) 5.772 1.780 ( -2.105 0.000 1.518) 2.595 1.871 ( 4.374 0.000 -3.691) 5.723 1.912 ( 1.043 0.000 -0.547) 1.178 1.961 ( 5.425 0.000 -1.123) 5.540 2.012 ( -1.537 0.000 -3.009) 3.379 2.081 ( 2.528 0.000 -0.600) 2.599 2.280 ( 1.804 0.000 -3.034) 3.530 2.301 ( 2.378 0.000 8.936) 9.247 2.402 ( -0.270 0.000 2.114) 2.131 2.414 ( 0.479 0.000 -3.237) 3.272 2.449 ( -3.433 0.000 -2.280) 4.121 2.503 ( -7.905 0.000 1.166) 7.990 2.603 ( -0.704 0.000 2.270) 2.376 2.640 ( -2.228 0.000 -2.577) 3.406 2.685 ( 3.903 0.000 4.825) 6.206 2.731 ( 1.159 0.000 0.387) 1.222 2.751 ( 2.341 0.000 -1.875) 2.999 2.771 ( 6.853 0.000 -3.555) 7.720 2.833 ( -2.057 0.000 0.134) 2.061 2.901 ( 2.206 0.000 2.593) 3.404 3.069 ( 0.005 0.000 -6.929) 6.929 3.089 ( -0.631 0.000 3.626) 3.680 3.101 ( 2.120 0.000 2.816) 3.525 3.165 ( -1.553 0.000 -3.788) 4.094 3.199 ( 1.172 0.000 3.874) 4.047 3.212 ( 2.404 0.000 -6.415) 6.850 3.410 ( -7.488 0.000 -0.238) 7.492 3.534 ( 0.291 0.000 1.989) 2.011 3.545 ( -1.203 0.000 0.996) 1.562 3.573 ( 1.513 0.000 -2.095) 2.584 3.771 ( -4.202 0.000 -3.636) 5.557 3.886 ( -0.032 0.000 3.023) 3.023 4.228 ( -3.694 0.000 0.629) 3.747 4.304 ( 0.933 0.000 -4.450) 4.547 4.411 ( -4.514 0.000 7.443) 8.705 4.511 ( 0.050 0.000 3.129) 3.130 4.616 ( -3.450 0.000 -2.857) 4.479 4.753 ( 1.821 0.000 2.579) 3.157 4.827 ( -10.848 0.000 -0.650) 10.867 4.852 ( 0.680 0.000 2.455) 2.547 4.947 ( 3.339 0.000 3.693) 4.979 5.211 ( 7.988 0.000 -7.378) 10.874 5.720 ( -1.242 0.000 -2.045) 2.392 5.749 ( -0.563 0.000 0.817) 0.992 5.877 ( -7.822 0.000 -9.754) 12.503 6.072 ( 1.786 0.000 11.218) 11.359 8.280 ( -2.459 0.000 -3.750) 4.484 8.348 ( 0.566 0.000 -0.306) 0.643 8.693 ( -2.230 0.000 9.338) 9.600 8.713 ( -2.888 0.000 -7.857) 8.371 8.866 ( 4.863 0.000 -2.280) 5.371 8.912 ( 3.954 0.000 4.369) 5.893 9.958 ( -0.507 0.000 -0.290) 0.584 10.035 ( 3.991 0.000 -0.482) 4.020 10.345 ( 1.436 0.000 2.663) 3.026 10.358 ( 2.662 0.000 -1.451) 3.032 12.901 ( 0.555 0.000 -0.410) 0.690 12.950 ( 3.299 0.000 0.731) 3.379 13.261 ( -3.541 0.000 -0.611) 3.594 13.354 ( 1.973 0.000 -0.910) 2.173 13.738 ( -4.909 0.000 -3.705) 6.150 13.835 ( 0.096 0.000 2.657) 2.659 13.876 ( -5.208 0.000 -5.031) 7.241 13.919 ( -1.632 0.000 6.831) 7.023 14.060 ( -1.934 0.000 -2.190) 2.921 14.165 ( 0.996 0.000 0.328) 1.049 17.368 ( -1.692 0.000 -3.666) 4.037 17.395 ( -0.705 0.000 3.283) 3.358 23.313 ( -2.777 0.000 1.465) 3.139 23.350 ( -1.337 0.000 -3.633) 3.871 25.014 ( -0.774 0.000 -0.258) 0.816 25.070 ( 1.998 0.000 0.211) 2.009 26.367 ( -0.866 0.000 -0.966) 1.297 26.392 ( 4.409 0.000 -0.340) 4.422 26.460 ( 3.850 0.000 -0.246) 3.858 26.552 ( 7.142 0.000 1.708) 7.344 26.664 ( -0.230 0.000 1.208) 1.230 26.725 ( 4.140 0.000 -1.850) 4.535 27.168 ( -3.356 0.000 1.686) 3.756 27.232 ( 0.780 0.000 1.397) 1.600 28.012 ( -5.367 0.000 8.049) 9.674 28.016 ( -4.284 0.000 -9.039) 10.003 ======================= Grid point 92 (45/69) ======================= q-point: ( 0.22 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 12.126 0.000 -11.211) 16.514 1.046 ( 8.607 0.000 -15.092) 17.373 1.355 ( 3.143 0.000 0.059) 3.143 1.415 ( 1.305 0.000 11.658) 11.731 1.659 ( -1.708 0.000 6.029) 6.266 1.661 ( 1.286 0.000 5.089) 5.248 1.666 ( 3.066 0.000 -4.951) 5.824 1.743 ( 1.375 0.000 -2.597) 2.939 1.748 ( -0.793 0.000 1.685) 1.862 1.889 ( 2.515 0.000 1.830) 3.110 1.962 ( 7.537 0.000 -0.510) 7.554 2.008 ( 10.935 0.000 -11.267) 15.701 2.078 ( 4.129 0.000 4.096) 5.816 2.131 ( 1.010 0.000 3.522) 3.663 2.312 ( 3.356 0.000 -1.448) 3.655 2.320 ( -5.462 0.000 0.348) 5.473 2.391 ( 0.774 0.000 -0.185) 0.796 2.396 ( -0.171 0.000 -0.918) 0.934 2.446 ( -3.134 0.000 4.121) 5.177 2.501 ( 1.773 0.000 -0.324) 1.803 2.593 ( -4.671 0.000 -2.183) 5.156 2.613 ( 2.355 0.000 4.140) 4.762 2.688 ( -5.081 0.000 0.381) 5.096 2.725 ( -5.032 0.000 -4.292) 6.614 2.765 ( 2.657 0.000 -0.882) 2.799 2.776 ( 3.707 0.000 2.729) 4.603 2.859 ( 2.472 0.000 -2.598) 3.586 2.969 ( 0.404 0.000 3.783) 3.804 2.990 ( 1.896 0.000 -8.378) 8.590 3.062 ( -0.570 0.000 -0.014) 0.570 3.136 ( -0.848 0.000 -2.269) 2.422 3.160 ( 0.992 0.000 -1.804) 2.059 3.201 ( 2.146 0.000 4.658) 5.129 3.251 ( -0.714 0.000 2.943) 3.029 3.300 ( -4.428 0.000 -0.650) 4.475 3.526 ( -1.147 0.000 0.073) 1.149 3.539 ( -2.876 0.000 1.383) 3.191 3.572 ( -0.140 0.000 -2.639) 2.643 3.718 ( 1.365 0.000 1.126) 1.769 3.877 ( -3.786 0.000 1.704) 4.152 4.194 ( -1.345 0.000 1.320) 1.885 4.261 ( 1.557 0.000 -5.275) 5.500 4.411 ( -6.166 0.000 5.527) 8.281 4.485 ( -13.350 0.000 1.748) 13.464 4.557 ( -1.237 0.000 -0.627) 1.387 4.615 ( -2.706 0.000 -1.012) 2.889 4.801 ( 1.822 0.000 -1.466) 2.339 4.938 ( 4.457 0.000 3.629) 5.747 5.117 ( 3.824 0.000 11.010) 11.655 5.200 ( 3.888 0.000 -10.346) 11.053 5.615 ( -5.603 0.000 -5.868) 8.113 5.679 ( -0.470 0.000 -2.239) 2.288 5.792 ( -1.736 0.000 2.034) 2.674 6.190 ( -2.739 0.000 9.508) 9.895 8.187 ( -2.708 0.000 -4.059) 4.879 8.342 ( -0.001 0.000 -0.187) 0.187 8.627 ( 0.400 0.000 -2.756) 2.785 8.719 ( -5.000 0.000 4.193) 6.526 8.914 ( 5.189 0.000 -5.474) 7.542 9.008 ( 2.234 0.000 2.168) 3.113 9.977 ( 1.326 0.000 2.986) 3.267 10.112 ( 4.657 0.000 1.735) 4.970 10.397 ( 1.394 0.000 1.584) 2.111 10.402 ( 3.901 0.000 -0.983) 4.023 12.916 ( 1.027 0.000 -0.650) 1.216 13.002 ( 2.700 0.000 -1.204) 2.957 13.195 ( -3.361 0.000 -0.369) 3.381 13.369 ( 2.062 0.000 -1.322) 2.449 13.588 ( -5.511 0.000 -5.524) 7.803 13.742 ( -2.599 0.000 -4.444) 5.148 13.852 ( -5.414 0.000 6.015) 8.093 13.945 ( -2.076 0.000 3.264) 3.869 14.038 ( 2.513 0.000 -1.862) 3.128 14.168 ( -1.855 0.000 1.650) 2.483 17.306 ( -0.698 0.000 -2.826) 2.911 17.404 ( -1.796 0.000 1.925) 2.633 23.268 ( -2.552 0.000 -0.949) 2.723 23.281 ( -2.168 0.000 -2.613) 3.395 25.010 ( 0.372 0.000 0.151) 0.401 25.094 ( 1.225 0.000 -0.653) 1.388 26.363 ( 1.182 0.000 0.139) 1.190 26.470 ( 6.011 0.000 -1.809) 6.277 26.539 ( 3.513 0.000 2.414) 4.262 26.677 ( 1.826 0.000 0.021) 1.826 26.710 ( 7.545 0.000 3.023) 8.128 26.775 ( 4.786 0.000 -2.552) 5.424 27.140 ( -4.113 0.000 3.810) 5.607 27.274 ( 0.256 0.000 3.576) 3.585 27.825 ( -5.435 0.000 -9.163) 10.653 27.966 ( -7.970 0.000 3.179) 8.580 ======================= Grid point 93 (46/69) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 13.450 0.000 -6.127) 14.780 1.176 ( 17.238 0.000 -6.853) 18.550 1.350 ( 3.621 0.000 -7.415) 8.252 1.487 ( -4.483 0.000 6.792) 8.138 1.602 ( -1.665 0.000 -3.811) 4.158 1.670 ( -5.311 0.000 6.138) 8.117 1.702 ( 6.953 0.000 -2.829) 7.506 1.751 ( -0.570 0.000 0.642) 0.858 1.909 ( 8.011 0.000 8.178) 11.448 1.971 ( 0.210 0.000 -6.790) 6.793 2.036 ( 5.687 0.000 5.964) 8.241 2.081 ( 0.238 0.000 -1.525) 1.544 2.176 ( -0.441 0.000 2.842) 2.876 2.188 ( 2.066 0.000 5.437) 5.816 2.241 ( -5.904 0.000 3.454) 6.840 2.315 ( 6.477 0.000 -5.089) 8.237 2.331 ( -5.207 0.000 -1.171) 5.337 2.386 ( -1.005 0.000 -5.750) 5.837 2.474 ( 0.606 0.000 2.639) 2.708 2.482 ( -0.071 0.000 1.638) 1.640 2.508 ( 3.827 0.000 -2.753) 4.714 2.582 ( 0.387 0.000 -4.783) 4.799 2.648 ( -0.583 0.000 -0.491) 0.762 2.677 ( -2.972 0.000 1.446) 3.305 2.821 ( -1.195 0.000 -2.714) 2.965 2.878 ( 6.759 0.000 0.986) 6.831 2.905 ( 6.355 0.000 1.123) 6.454 2.940 ( 1.290 0.000 -3.196) 3.446 2.949 ( -4.798 0.000 -1.570) 5.048 3.090 ( -0.289 0.000 1.199) 1.234 3.100 ( 2.364 0.000 -0.091) 2.366 3.196 ( -1.135 0.000 1.236) 1.678 3.214 ( -3.811 0.000 -0.330) 3.825 3.224 ( -3.556 0.000 1.840) 4.004 3.273 ( 1.011 0.000 0.266) 1.046 3.467 ( -5.668 0.000 -0.968) 5.750 3.513 ( -1.155 0.000 0.408) 1.225 3.530 ( 1.246 0.000 -3.907) 4.101 3.807 ( 3.597 0.000 4.222) 5.546 3.840 ( -1.646 0.000 1.169) 2.019 4.199 ( -1.278 0.000 1.990) 2.365 4.224 ( -2.518 0.000 -5.052) 5.645 4.261 ( -5.850 0.000 -2.351) 6.305 4.334 ( -7.365 0.000 1.408) 7.498 4.549 ( -0.085 0.000 0.798) 0.802 4.621 ( -1.793 0.000 3.635) 4.053 4.798 ( 0.541 0.000 -2.033) 2.104 4.971 ( -1.611 0.000 -5.861) 6.079 5.221 ( 10.676 0.000 -1.037) 10.726 5.280 ( -0.962 0.000 12.120) 12.158 5.534 ( -0.952 0.000 0.085) 0.956 5.653 ( -0.022 0.000 -1.759) 1.759 5.785 ( -2.033 0.000 2.140) 2.952 6.183 ( -7.502 0.000 3.300) 8.196 8.126 ( -0.270 0.000 -1.175) 1.206 8.355 ( 0.937 0.000 0.701) 1.170 8.636 ( -7.194 0.000 0.312) 7.201 8.637 ( 2.374 0.000 -0.802) 2.506 8.903 ( 3.428 0.000 -7.829) 8.547 9.021 ( -0.920 0.000 -1.777) 2.001 10.068 ( 2.321 0.000 6.752) 7.139 10.219 ( 3.837 0.000 3.802) 5.401 10.419 ( 0.458 0.000 -0.385) 0.598 10.446 ( 2.907 0.000 -1.644) 3.340 12.896 ( -0.513 0.000 -3.012) 3.055 12.998 ( 0.433 0.000 -3.920) 3.944 13.155 ( -1.712 0.000 1.139) 2.056 13.386 ( 0.818 0.000 -3.839) 3.925 13.500 ( 1.098 0.000 1.238) 1.655 13.690 ( -0.674 0.000 -0.105) 0.682 13.827 ( -4.044 0.000 4.177) 5.813 13.942 ( -1.952 0.000 2.021) 2.810 14.079 ( 3.308 0.000 -0.394) 3.331 14.145 ( -2.590 0.000 0.946) 2.757 17.284 ( 0.759 0.000 -1.209) 1.427 17.384 ( -2.330 0.000 0.547) 2.393 23.221 ( -1.166 0.000 -1.593) 1.974 23.226 ( -1.473 0.000 -1.645) 2.208 25.024 ( 0.547 0.000 0.642) 0.844 25.096 ( 0.534 0.000 -1.358) 1.459 26.405 ( 2.517 0.000 1.359) 2.860 26.533 ( 4.424 0.000 -2.563) 5.113 26.618 ( 0.920 0.000 4.654) 4.744 26.704 ( 2.341 0.000 -0.495) 2.393 26.823 ( 4.643 0.000 -1.980) 5.047 26.882 ( 7.224 0.000 4.444) 8.482 27.113 ( -5.288 0.000 4.450) 6.912 27.308 ( -1.100 0.000 3.266) 3.446 27.649 ( -2.424 0.000 -8.632) 8.966 27.834 ( -8.317 0.000 -2.546) 8.698 ======================= Grid point 94 (47/69) ======================= q-point: ( 0.44 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 2.674 0.000 -1.890) 3.274 1.281 ( 1.809 0.000 -4.315) 4.679 1.401 ( 13.679 0.000 -3.745) 14.182 1.526 ( 1.266 0.000 0.077) 1.268 1.584 ( 3.478 0.000 -0.876) 3.586 1.646 ( -7.382 0.000 8.319) 11.122 1.702 ( -3.370 0.000 -0.873) 3.481 1.802 ( 5.144 0.000 -2.919) 5.914 1.841 ( -5.041 0.000 2.902) 5.816 2.059 ( -0.388 0.000 -2.015) 2.052 2.073 ( 1.301 0.000 0.241) 1.323 2.120 ( 2.059 0.000 1.632) 2.627 2.190 ( -5.616 0.000 4.268) 7.054 2.214 ( 2.634 0.000 1.860) 3.224 2.259 ( -1.576 0.000 8.478) 8.623 2.327 ( 0.021 0.000 -0.153) 0.154 2.367 ( 5.726 0.000 7.110) 9.130 2.428 ( 2.772 0.000 -4.508) 5.292 2.445 ( -3.308 0.000 -1.915) 3.822 2.493 ( 11.586 0.000 -4.348) 12.375 2.565 ( 4.965 0.000 -4.897) 6.974 2.602 ( -0.913 0.000 -1.665) 1.899 2.660 ( 0.718 0.000 3.022) 3.106 2.664 ( 1.671 0.000 2.472) 2.984 2.737 ( -3.249 0.000 -4.197) 5.307 2.835 ( -8.229 0.000 -1.240) 8.321 2.894 ( 2.041 0.000 -5.173) 5.560 2.907 ( -4.475 0.000 -1.093) 4.607 2.966 ( -9.832 0.000 -3.620) 10.478 3.021 ( -0.749 0.000 2.658) 2.761 3.128 ( 4.460 0.000 -1.914) 4.853 3.157 ( 4.025 0.000 -0.074) 4.025 3.197 ( -1.923 0.000 1.672) 2.549 3.279 ( 5.675 0.000 -0.592) 5.706 3.303 ( 1.498 0.000 1.852) 2.382 3.365 ( -5.681 0.000 0.084) 5.682 3.482 ( -4.167 0.000 1.942) 4.597 3.537 ( 4.747 0.000 -3.683) 6.008 3.861 ( 2.461 0.000 0.674) 2.551 3.888 ( -0.223 0.000 2.759) 2.768 4.094 ( -3.791 0.000 -0.284) 3.802 4.167 ( -4.111 0.000 -0.492) 4.140 4.241 ( -4.656 0.000 0.681) 4.705 4.241 ( 2.943 0.000 -3.368) 4.473 4.573 ( 1.375 0.000 1.582) 2.096 4.620 ( -2.182 0.000 1.828) 2.847 4.784 ( 0.770 0.000 -1.518) 1.702 4.855 ( -2.775 0.000 -5.164) 5.862 5.363 ( -5.150 0.000 10.474) 11.671 5.424 ( 10.854 0.000 -0.295) 10.858 5.564 ( 3.788 0.000 1.828) 4.206 5.633 ( -0.627 0.000 -1.140) 1.301 5.791 ( -0.497 0.000 3.926) 3.957 6.042 ( -8.454 0.000 -3.101) 9.005 8.158 ( 3.349 0.000 1.967) 3.884 8.348 ( -1.420 0.000 -3.766) 4.025 8.546 ( -4.881 0.000 4.273) 6.487 8.671 ( 3.288 0.000 -1.733) 3.717 8.862 ( 1.736 0.000 -5.480) 5.748 8.949 ( -3.015 0.000 -4.151) 5.131 10.190 ( 1.464 0.000 7.863) 7.998 10.313 ( 1.826 0.000 3.907) 4.313 10.403 ( -0.682 0.000 -2.159) 2.265 10.453 ( 1.040 0.000 -2.694) 2.888 12.861 ( 0.291 0.000 -1.668) 1.693 12.939 ( -0.821 0.000 -4.732) 4.802 13.165 ( -0.054 0.000 2.772) 2.773 13.318 ( -0.743 0.000 -5.406) 5.457 13.603 ( 4.129 0.000 4.606) 6.186 13.692 ( -1.445 0.000 1.912) 2.396 13.837 ( 0.822 0.000 2.762) 2.882 13.917 ( -3.499 0.000 1.042) 3.651 14.120 ( 2.116 0.000 -0.670) 2.220 14.120 ( -0.832 0.000 0.063) 0.834 17.298 ( 1.784 0.000 -0.139) 1.790 17.344 ( -2.426 0.000 -0.370) 2.454 23.195 ( -0.180 0.000 -1.135) 1.149 23.195 ( -0.444 0.000 -0.999) 1.093 25.039 ( 0.079 0.000 1.004) 1.007 25.084 ( 0.170 0.000 -1.589) 1.598 26.463 ( 1.722 0.000 1.913) 2.574 26.550 ( 1.711 0.000 -3.044) 3.492 26.671 ( -1.605 0.000 5.120) 5.366 26.739 ( 2.629 0.000 -0.996) 2.812 26.893 ( 5.856 0.000 -0.506) 5.878 26.989 ( -2.842 0.000 1.811) 3.370 27.104 ( -0.609 0.000 7.530) 7.554 27.319 ( -0.348 0.000 0.910) 0.974 27.574 ( 4.704 0.000 -6.779) 8.251 27.639 ( -9.738 0.000 -4.901) 10.902 ======================= Grid point 95 (48/69) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -6.217 0.000 1.421) 6.377 1.230 ( -3.243 0.000 0.158) 3.246 1.395 ( -12.974 0.000 -3.931) 13.557 1.550 ( 4.146 0.000 -1.327) 4.354 1.569 ( -6.424 0.000 -1.294) 6.553 1.635 ( -4.197 0.000 8.531) 9.507 1.704 ( 7.026 0.000 1.310) 7.147 1.836 ( 5.168 0.000 -7.140) 8.814 1.941 ( 3.665 0.000 7.329) 8.194 1.973 ( -0.462 0.000 -5.443) 5.463 2.110 ( -1.420 0.000 -2.703) 3.053 2.111 ( 0.916 0.000 1.570) 1.817 2.181 ( -4.612 0.000 3.441) 5.755 2.271 ( 3.538 0.000 -2.038) 4.083 2.298 ( -5.269 0.000 5.008) 7.269 2.352 ( 1.253 0.000 1.037) 1.626 2.371 ( -2.360 0.000 -2.373) 3.347 2.434 ( -13.616 0.000 0.445) 13.623 2.460 ( -6.303 0.000 3.058) 7.006 2.475 ( 6.108 0.000 -4.752) 7.738 2.540 ( -5.032 0.000 -7.910) 9.375 2.577 ( -2.530 0.000 3.820) 4.582 2.609 ( 5.746 0.000 2.918) 6.445 2.695 ( 0.163 0.000 0.875) 0.890 2.742 ( 3.787 0.000 -0.176) 3.791 2.805 ( 12.231 0.000 0.653) 12.249 2.810 ( -4.805 0.000 0.517) 4.833 2.904 ( 3.197 0.000 -0.613) 3.256 2.976 ( -1.099 0.000 -1.791) 2.102 2.977 ( 3.315 0.000 1.731) 3.740 3.168 ( 2.972 0.000 -3.062) 4.267 3.197 ( 1.887 0.000 -1.150) 2.210 3.203 ( -2.241 0.000 4.074) 4.649 3.231 ( -5.280 0.000 -4.502) 6.939 3.366 ( 3.305 0.000 -2.843) 4.359 3.366 ( 3.907 0.000 0.802) 3.989 3.441 ( -4.563 0.000 4.544) 6.440 3.577 ( 5.491 0.000 -5.113) 7.503 3.860 ( -3.088 0.000 0.680) 3.162 3.916 ( 2.631 0.000 0.180) 2.637 4.093 ( -2.409 0.000 -0.491) 2.458 4.116 ( 2.153 0.000 3.574) 4.172 4.186 ( -3.768 0.000 1.499) 4.055 4.268 ( 4.064 0.000 -1.800) 4.444 4.595 ( -1.734 0.000 -0.259) 1.753 4.627 ( 2.908 0.000 1.317) 3.192 4.779 ( -1.556 0.000 -1.551) 2.197 4.799 ( 2.087 0.000 0.352) 2.117 5.345 ( -9.944 0.000 7.004) 12.163 5.507 ( 3.131 0.000 -2.038) 3.736 5.598 ( -1.349 0.000 -1.856) 2.294 5.653 ( 4.315 0.000 -2.976) 5.241 5.888 ( -3.352 0.000 -4.498) 5.610 5.924 ( 8.987 0.000 7.536) 11.728 8.234 ( -3.868 0.000 -5.580) 6.789 8.261 ( 4.501 0.000 3.391) 5.635 8.562 ( -3.025 0.000 6.609) 7.268 8.680 ( 3.202 0.000 -6.193) 6.972 8.851 ( -2.965 0.000 -2.960) 4.189 8.870 ( 2.345 0.000 2.068) 3.126 10.281 ( -1.083 0.000 6.169) 6.264 10.331 ( -1.685 0.000 -4.536) 4.839 10.379 ( -1.112 0.000 3.782) 3.942 10.423 ( 0.072 0.000 -3.112) 3.113 12.871 ( 1.074 0.000 1.196) 1.608 12.876 ( -0.819 0.000 -3.217) 3.320 13.213 ( 0.949 0.000 3.983) 4.094 13.252 ( 0.198 0.000 -4.964) 4.968 13.666 ( -3.001 0.000 -0.364) 3.023 13.695 ( 1.563 0.000 1.747) 2.345 13.869 ( -1.917 0.000 0.157) 1.924 13.911 ( 4.143 0.000 1.552) 4.424 14.113 ( -0.353 0.000 -0.321) 0.477 14.133 ( 1.236 0.000 -1.152) 1.690 17.301 ( -2.143 0.000 -0.452) 2.190 17.336 ( 2.639 0.000 0.355) 2.663 23.187 ( 0.466 0.000 -0.560) 0.728 23.188 ( 0.544 0.000 -0.452) 0.707 25.051 ( -0.318 0.000 1.377) 1.413 25.066 ( -0.218 0.000 -1.436) 1.452 26.495 ( -0.607 0.000 1.923) 2.016 26.521 ( -0.606 0.000 -3.426) 3.480 26.684 ( -3.184 0.000 3.967) 5.087 26.754 ( 0.671 0.000 -1.512) 1.654 26.899 ( -5.464 0.000 -1.438) 5.650 26.995 ( 5.177 0.000 0.692) 5.223 27.213 ( -0.169 0.000 9.560) 9.561 27.301 ( 0.879 0.000 -7.578) 7.628 27.447 ( -8.479 0.000 2.593) 8.867 27.636 ( 9.773 0.000 -4.108) 10.601 ======================= Grid point 96 (49/69) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -16.988 0.000 4.923) 17.687 1.071 ( -19.874 0.000 -1.340) 19.919 1.205 ( -2.200 0.000 2.983) 3.707 1.521 ( -0.701 0.000 2.406) 2.506 1.574 ( 2.261 0.000 0.118) 2.264 1.639 ( -6.171 0.000 2.224) 6.560 1.735 ( -6.266 0.000 1.301) 6.400 1.818 ( -13.345 0.000 2.893) 13.655 1.822 ( 3.260 0.000 -6.530) 7.299 1.993 ( -4.458 0.000 -0.192) 4.462 2.073 ( 3.061 0.000 0.091) 3.062 2.115 ( -1.401 0.000 -0.398) 1.456 2.188 ( 0.687 0.000 2.944) 3.023 2.246 ( -4.102 0.000 -0.679) 4.157 2.315 ( 2.714 0.000 -1.918) 3.323 2.325 ( 0.971 0.000 -4.903) 4.999 2.332 ( -0.010 0.000 -0.782) 0.782 2.368 ( 4.000 0.000 7.845) 8.805 2.373 ( -2.619 0.000 -5.277) 5.891 2.420 ( -4.681 0.000 2.833) 5.472 2.507 ( 2.877 0.000 -1.312) 3.162 2.601 ( -2.778 0.000 -1.873) 3.350 2.684 ( -1.933 0.000 -1.031) 2.191 2.733 ( 2.322 0.000 4.242) 4.836 2.766 ( 3.289 0.000 -4.008) 5.185 2.797 ( -0.420 0.000 4.619) 4.638 2.883 ( -1.336 0.000 1.627) 2.105 2.912 ( 1.571 0.000 -1.014) 1.870 3.039 ( -0.460 0.000 -1.511) 1.580 3.073 ( -4.206 0.000 -2.212) 4.752 3.105 ( 5.226 0.000 1.894) 5.558 3.196 ( -1.304 0.000 1.910) 2.313 3.210 ( 0.078 0.000 1.138) 1.141 3.215 ( 9.502 0.000 -3.543) 10.141 3.351 ( 1.454 0.000 -4.810) 5.025 3.435 ( 2.997 0.000 1.181) 3.221 3.438 ( -1.961 0.000 3.800) 4.276 3.583 ( 3.229 0.000 -5.147) 6.076 3.854 ( 2.031 0.000 -0.087) 2.033 3.898 ( -2.129 0.000 -3.565) 4.153 4.126 ( 1.413 0.000 3.793) 4.048 4.170 ( 0.015 0.000 4.691) 4.691 4.192 ( 0.775 0.000 3.549) 3.633 4.340 ( 6.457 0.000 -0.257) 6.462 4.568 ( -0.459 0.000 -0.742) 0.872 4.690 ( 4.240 0.000 -1.353) 4.451 4.760 ( -0.798 0.000 0.992) 1.273 4.858 ( 2.578 0.000 2.937) 3.908 5.206 ( -12.174 0.000 2.145) 12.362 5.508 ( 2.319 0.000 -6.213) 6.631 5.560 ( -0.227 0.000 -2.077) 2.089 5.648 ( 0.296 0.000 -2.814) 2.829 5.834 ( 0.816 0.000 -2.396) 2.531 6.181 ( 12.018 0.000 3.886) 12.631 8.132 ( -2.217 0.000 -2.279) 3.179 8.344 ( 1.003 0.000 1.535) 1.833 8.568 ( -4.413 0.000 5.145) 6.778 8.682 ( 6.101 0.000 -4.247) 7.434 8.801 ( -1.917 0.000 0.935) 2.133 8.960 ( 3.201 0.000 3.815) 4.979 10.215 ( -4.042 0.000 -6.158) 7.366 10.270 ( -4.891 0.000 0.570) 4.925 10.393 ( -2.492 0.000 3.204) 4.059 10.412 ( 1.093 0.000 -0.448) 1.181 12.848 ( -0.122 0.000 0.101) 0.158 12.915 ( 0.970 0.000 3.038) 3.189 13.213 ( 1.686 0.000 -4.058) 4.394 13.282 ( 1.099 0.000 4.716) 4.843 13.582 ( -3.732 0.000 -4.303) 5.696 13.688 ( -2.277 0.000 -0.058) 2.278 13.884 ( 3.044 0.000 -0.037) 3.045 13.969 ( 1.642 0.000 -0.944) 1.894 14.089 ( -1.260 0.000 -1.570) 2.013 14.161 ( 3.737 0.000 -0.209) 3.743 17.268 ( -1.563 0.000 0.231) 1.580 17.387 ( 3.028 0.000 0.139) 3.031 23.195 ( 0.878 0.000 0.179) 0.896 23.201 ( 1.053 0.000 0.437) 1.140 25.043 ( -0.760 0.000 -1.104) 1.341 25.062 ( -0.517 0.000 1.654) 1.733 26.456 ( -2.172 0.000 -3.293) 3.945 26.486 ( -3.136 0.000 1.756) 3.595 26.669 ( -2.959 0.000 2.644) 3.968 26.723 ( -1.352 0.000 -2.821) 3.128 26.804 ( -3.901 0.000 -1.677) 4.247 26.976 ( -7.400 0.000 -3.186) 8.057 27.239 ( 6.089 0.000 -7.583) 9.725 27.313 ( 1.331 0.000 5.607) 5.762 27.460 ( 0.228 0.000 8.286) 8.289 27.770 ( 8.855 0.000 0.321) 8.861 ======================= Grid point 97 (50/69) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -17.232 0.000 7.571) 18.822 0.796 ( -19.320 0.000 7.858) 20.857 1.234 ( -1.678 0.000 6.625) 6.834 1.447 ( -21.866 0.000 14.789) 26.397 1.589 ( 3.094 0.000 5.455) 6.271 1.621 ( 2.665 0.000 -4.488) 5.220 1.653 ( -6.028 0.000 7.671) 9.756 1.797 ( -1.577 0.000 3.938) 4.242 1.797 ( 1.847 0.000 -4.674) 5.026 1.845 ( -6.936 0.000 -6.612) 9.583 1.992 ( -6.025 0.000 -3.273) 6.856 2.013 ( -4.581 0.000 -6.782) 8.184 2.189 ( -4.386 0.000 -6.041) 7.465 2.229 ( 1.137 0.000 -2.479) 2.728 2.267 ( 1.080 0.000 1.424) 1.787 2.342 ( 2.238 0.000 -0.925) 2.422 2.379 ( 1.314 0.000 0.765) 1.521 2.443 ( 2.000 0.000 -0.421) 2.044 2.453 ( 4.000 0.000 2.668) 4.808 2.493 ( -4.076 0.000 -0.159) 4.079 2.504 ( 5.770 0.000 3.042) 6.523 2.566 ( 7.048 0.000 8.244) 10.846 2.651 ( -0.419 0.000 0.502) 0.654 2.739 ( -0.127 0.000 -1.701) 1.706 2.793 ( -1.888 0.000 2.173) 2.879 2.825 ( -1.140 0.000 -4.765) 4.900 2.826 ( -0.142 0.000 -0.338) 0.367 2.901 ( -4.042 0.000 -2.784) 4.908 2.985 ( 2.708 0.000 3.456) 4.391 3.085 ( -0.007 0.000 -0.347) 0.347 3.109 ( -0.191 0.000 -3.835) 3.840 3.181 ( -0.999 0.000 -1.616) 1.900 3.252 ( 1.065 0.000 2.276) 2.513 3.310 ( 2.391 0.000 -1.735) 2.954 3.322 ( 2.319 0.000 -4.247) 4.839 3.473 ( 0.100 0.000 5.332) 5.333 3.494 ( 1.895 0.000 1.636) 2.504 3.602 ( 5.348 0.000 -3.859) 6.595 3.803 ( -2.375 0.000 -5.244) 5.757 3.911 ( 5.066 0.000 -1.071) 5.178 4.147 ( -2.219 0.000 4.617) 5.123 4.208 ( -1.259 0.000 0.772) 1.477 4.357 ( 10.216 0.000 10.585) 14.711 4.453 ( 5.473 0.000 1.426) 5.656 4.570 ( 1.842 0.000 -1.506) 2.380 4.705 ( 2.135 0.000 -5.760) 6.143 4.768 ( -0.790 0.000 1.590) 1.775 4.946 ( 1.818 0.000 4.662) 5.004 5.042 ( -8.795 0.000 1.302) 8.891 5.392 ( -3.188 0.000 -13.838) 14.201 5.554 ( 1.536 0.000 0.274) 1.560 5.635 ( -0.338 0.000 1.316) 1.359 5.833 ( 1.458 0.000 -1.645) 2.199 6.355 ( 8.111 0.000 -4.357) 9.207 8.119 ( 0.661 0.000 1.829) 1.945 8.342 ( -0.995 0.000 -0.104) 1.001 8.558 ( -3.712 0.000 4.950) 6.187 8.772 ( 7.304 0.000 -1.589) 7.475 8.793 ( -2.291 0.000 3.431) 4.125 9.031 ( 1.746 0.000 0.341) 1.779 10.075 ( -4.172 0.000 -5.260) 6.714 10.165 ( -5.915 0.000 -2.242) 6.326 10.371 ( -3.673 0.000 1.939) 4.154 10.423 ( 0.493 0.000 -0.747) 0.895 12.875 ( 0.582 0.000 2.780) 2.841 12.957 ( -0.446 0.000 2.601) 2.640 13.216 ( 3.317 0.000 -2.504) 4.156 13.337 ( -1.181 0.000 2.414) 2.687 13.497 ( 0.367 0.000 0.669) 0.763 13.663 ( -1.499 0.000 2.299) 2.744 13.948 ( 4.574 0.000 -0.104) 4.575 13.967 ( 0.201 0.000 -0.100) 0.224 14.036 ( -1.604 0.000 -3.328) 3.694 14.227 ( 4.669 0.000 -2.270) 5.192 17.258 ( -0.765 0.000 1.454) 1.643 17.432 ( 2.610 0.000 -0.722) 2.708 23.227 ( 1.808 0.000 2.259) 2.894 23.233 ( 1.269 0.000 1.630) 2.066 25.018 ( -0.900 0.000 -0.600) 1.082 25.069 ( -0.911 0.000 1.490) 1.746 26.389 ( -1.582 0.000 -2.220) 2.726 26.441 ( -3.938 0.000 1.016) 4.067 26.634 ( -3.734 0.000 -6.229) 7.262 26.651 ( -2.978 0.000 2.099) 3.643 26.731 ( -4.428 0.000 1.105) 4.564 26.785 ( -8.310 0.000 -3.708) 9.100 27.251 ( 4.258 0.000 -6.350) 7.646 27.359 ( 1.207 0.000 -2.841) 3.087 27.614 ( 4.452 0.000 9.893) 10.848 27.945 ( 9.155 0.000 4.782) 10.329 ======================= Grid point 98 (51/69) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -6.975 0.000 17.552) 18.887 0.746 ( -6.423 0.000 19.518) 20.548 1.287 ( -0.609 0.000 5.956) 5.987 1.350 ( -14.690 0.000 19.007) 24.022 1.549 ( -4.333 0.000 -0.932) 4.432 1.607 ( -9.670 0.000 -10.099) 13.982 1.654 ( -5.328 0.000 1.986) 5.687 1.730 ( 3.717 0.000 6.232) 7.256 1.763 ( -2.359 0.000 -1.747) 2.936 1.801 ( 5.769 0.000 -3.919) 6.974 1.894 ( -0.529 0.000 -4.896) 4.924 1.920 ( -0.907 0.000 1.388) 1.658 2.071 ( -1.920 0.000 -4.769) 5.141 2.196 ( 0.326 0.000 -6.607) 6.615 2.256 ( -2.682 0.000 -0.494) 2.727 2.352 ( -1.773 0.000 0.223) 1.787 2.372 ( -1.162 0.000 0.301) 1.200 2.409 ( 1.433 0.000 1.112) 1.814 2.450 ( 0.454 0.000 0.730) 0.860 2.555 ( 4.166 0.000 2.400) 4.808 2.623 ( 1.300 0.000 0.419) 1.366 2.641 ( -0.584 0.000 -1.557) 1.663 2.702 ( -3.387 0.000 1.439) 3.680 2.749 ( -0.189 0.000 -1.759) 1.769 2.771 ( 2.363 0.000 -6.187) 6.623 2.788 ( -4.175 0.000 -2.634) 4.936 2.843 ( 5.640 0.000 -0.120) 5.641 2.899 ( 2.124 0.000 8.454) 8.717 2.992 ( -1.848 0.000 -6.062) 6.338 3.076 ( -2.004 0.000 4.526) 4.950 3.086 ( 1.931 0.000 0.403) 1.972 3.145 ( -0.641 0.000 -1.470) 1.604 3.219 ( -0.468 0.000 -4.379) 4.404 3.287 ( -0.416 0.000 -3.487) 3.512 3.379 ( 5.235 0.000 1.630) 5.483 3.527 ( 0.106 0.000 0.859) 0.866 3.547 ( 0.624 0.000 2.961) 3.026 3.627 ( 3.238 0.000 -4.947) 5.913 3.739 ( 1.871 0.000 -2.120) 2.827 3.955 ( 1.607 0.000 -2.955) 3.363 4.181 ( -1.107 0.000 6.045) 6.146 4.213 ( 1.393 0.000 1.803) 2.279 4.545 ( 4.527 0.000 -0.688) 4.579 4.568 ( 0.620 0.000 -1.373) 1.506 4.621 ( -3.579 0.000 -6.513) 7.431 4.733 ( 12.977 0.000 6.289) 14.420 4.765 ( 5.505 0.000 2.518) 6.054 4.904 ( -3.642 0.000 -2.275) 4.294 5.047 ( -3.115 0.000 7.505) 8.126 5.113 ( -10.610 0.000 -10.643) 15.028 5.641 ( 4.535 0.000 5.954) 7.484 5.662 ( 0.564 0.000 2.807) 2.863 5.835 ( 1.180 0.000 -1.613) 1.998 6.326 ( 0.145 0.000 -11.315) 11.316 8.182 ( 2.240 0.000 4.709) 5.215 8.336 ( -0.054 0.000 0.668) 0.670 8.563 ( -2.661 0.000 5.958) 6.526 8.799 ( -2.283 0.000 3.322) 4.031 8.835 ( 3.356 0.000 -3.739) 5.024 9.013 ( -1.027 0.000 -4.534) 4.649 9.983 ( -0.956 0.000 -2.374) 2.560 10.049 ( -4.640 0.000 -1.549) 4.891 10.329 ( -3.296 0.000 1.270) 3.532 10.401 ( -0.732 0.000 -2.437) 2.544 12.888 ( -1.247 0.000 0.838) 1.502 12.953 ( -2.036 0.000 0.489) 2.094 13.260 ( 4.123 0.000 -0.877) 4.215 13.327 ( -1.232 0.000 1.449) 1.902 13.637 ( 7.403 0.000 5.618) 9.293 13.703 ( 0.239 0.000 6.098) 6.102 13.960 ( -3.068 0.000 -2.239) 3.798 13.997 ( 2.966 0.000 0.309) 2.982 14.034 ( 6.412 0.000 -1.416) 6.566 14.229 ( 0.631 0.000 -5.468) 5.505 17.286 ( 0.790 0.000 3.537) 3.624 17.450 ( 1.322 0.000 -1.873) 2.292 23.278 ( 0.814 0.000 2.855) 2.969 23.318 ( 5.619 0.000 1.556) 5.830 25.008 ( 0.163 0.000 0.219) 0.273 25.063 ( -1.585 0.000 0.793) 1.772 26.362 ( 0.230 0.000 -0.677) 0.715 26.394 ( -1.841 0.000 -0.296) 1.865 26.474 ( -7.244 0.000 -2.162) 7.560 26.572 ( -7.647 0.000 -0.083) 7.647 26.685 ( -3.214 0.000 1.649) 3.613 26.688 ( -0.341 0.000 -1.081) 1.133 27.235 ( 2.097 0.000 -4.738) 5.181 27.293 ( -2.681 0.000 -4.105) 4.903 27.804 ( 3.617 0.000 10.250) 10.869 28.134 ( 9.215 0.000 -2.269) 9.490 ======================= Grid point 99 (52/69) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 3.586 2.415 15.098) 15.704 1.040 ( -2.599 6.761 14.940) 16.604 1.250 ( -7.494 -5.395 -10.720) 14.149 1.357 ( -0.618 0.791 -4.414) 4.527 1.406 ( 3.694 3.729 0.482) 5.271 1.548 ( -1.096 1.790 -6.070) 6.422 1.644 ( -2.463 3.676 8.951) 9.985 1.763 ( -2.347 0.893 9.006) 9.349 1.770 ( 1.822 -3.608 -0.110) 4.044 1.864 ( 1.541 2.960 -2.008) 3.895 1.931 ( 1.137 2.814 -0.057) 3.035 1.941 ( 2.110 1.736 -1.011) 2.913 2.053 ( 3.213 1.249 -1.771) 3.875 2.089 ( -0.996 -1.680 -3.118) 3.679 2.163 ( 0.601 -3.747 1.018) 3.929 2.215 ( -1.966 -5.775 -1.529) 6.289 2.331 ( -2.559 -3.663 4.070) 6.044 2.421 ( 2.382 -2.972 -2.580) 4.600 2.501 ( -4.397 -3.556 0.557) 5.682 2.531 ( 1.956 -2.914 -1.303) 3.743 2.578 ( 1.452 0.695 1.404) 2.136 2.639 ( -1.479 2.509 0.126) 2.915 2.689 ( 0.639 -2.438 -0.354) 2.545 2.720 ( 0.862 0.072 -5.331) 5.401 2.749 ( -2.361 3.229 -0.205) 4.005 2.772 ( -0.030 3.420 -1.782) 3.856 2.912 ( 2.928 2.580 1.033) 4.036 2.941 ( -1.981 4.102 -2.341) 5.122 3.019 ( 3.137 -0.722 5.003) 5.950 3.044 ( -4.115 -1.108 3.518) 5.525 3.073 ( 1.206 -1.686 1.933) 2.834 3.154 ( 1.290 -0.304 -2.675) 2.985 3.223 ( 2.193 0.866 -1.147) 2.622 3.255 ( 0.027 2.312 -4.158) 4.758 3.475 ( -1.327 -2.902 2.123) 3.832 3.483 ( -1.023 -0.427 2.052) 2.333 3.515 ( 0.474 -2.397 -0.331) 2.466 3.579 ( 1.090 -1.856 -4.985) 5.429 3.794 ( 1.336 1.180 1.455) 2.301 3.850 ( -0.462 -0.602 -2.862) 2.961 4.270 ( -2.209 0.916 4.661) 5.239 4.311 ( 1.277 0.140 1.197) 1.756 4.340 ( -1.432 -6.910 1.995) 7.333 4.414 ( 0.390 -7.684 -5.534) 9.477 4.726 ( 0.308 0.977 0.939) 1.390 4.741 ( -0.233 3.357 0.023) 3.365 4.827 ( 1.123 -2.433 1.798) 3.227 4.872 ( -5.522 -1.826 -1.451) 5.994 5.091 ( -4.774 6.496 2.637) 8.482 5.198 ( 8.773 7.052 -6.424) 12.960 5.674 ( 0.620 -2.879 2.381) 3.787 5.703 ( -0.204 -3.650 0.366) 3.674 5.911 ( 3.053 1.872 6.898) 7.772 6.121 ( -4.118 -1.169 -11.754) 12.509 8.278 ( 3.769 -1.343 2.276) 4.603 8.312 ( -2.253 -2.074 -0.904) 3.193 8.711 ( -2.174 7.513 9.982) 12.681 8.778 ( 0.759 -2.046 2.798) 3.548 8.828 ( 0.858 -1.774 -2.171) 2.932 8.923 ( -1.267 3.626 -8.419) 9.254 9.970 ( 0.907 -0.938 -0.587) 1.431 9.982 ( -0.504 -0.665 -1.615) 1.818 10.326 ( -0.315 1.261 1.752) 2.181 10.365 ( 0.049 0.329 -1.777) 1.807 12.911 ( 1.068 1.158 1.114) 1.930 12.932 ( -1.004 1.078 -0.744) 1.650 13.323 ( -1.525 1.558 1.558) 2.680 13.351 ( 2.406 2.764 -0.909) 3.775 13.669 ( 0.589 -7.985 8.168) 11.438 13.792 ( 1.146 1.167 2.952) 3.375 13.840 ( -5.133 -6.149 -4.988) 9.436 13.914 ( 3.514 -3.824 -7.180) 8.862 14.137 ( -2.299 0.190 -0.794) 2.440 14.154 ( 2.230 0.699 -1.645) 2.857 17.414 ( 0.673 5.005 4.530) 6.784 17.493 ( 0.031 4.221 -2.468) 4.890 23.338 ( -0.286 1.919 2.979) 3.555 23.407 ( 1.518 1.235 -3.265) 3.807 25.034 ( 1.255 0.266 0.733) 1.478 25.042 ( -1.095 0.257 0.003) 1.125 26.354 ( -0.804 0.087 1.270) 1.506 26.387 ( 2.071 0.211 -1.644) 2.652 26.422 ( 0.919 -0.994 1.137) 1.768 26.453 ( -1.473 -0.699 -1.460) 2.188 26.695 ( -2.479 2.589 1.929) 4.071 26.732 ( 2.068 2.755 -1.177) 3.641 27.168 ( -1.019 -4.082 -1.165) 4.366 27.172 ( -0.840 -3.602 -1.483) 3.985 27.969 ( 0.072 1.527 8.098) 8.241 28.121 ( 0.311 -2.319 -5.450) 5.931 ======================= Grid point 100 (53/69) ======================= q-point: ( 0.11 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 3.334 0.228 -9.250) 9.835 1.178 ( 6.309 4.932 2.266) 8.323 1.206 ( -0.164 1.309 13.077) 13.143 1.366 ( 1.026 7.428 -4.394) 8.691 1.393 ( 8.474 -7.033 2.610) 11.317 1.616 ( 8.527 1.662 0.916) 8.735 1.698 ( -3.084 0.971 6.747) 7.482 1.746 ( 0.192 -2.508 -5.682) 6.214 1.801 ( -0.891 3.379 2.219) 4.139 1.859 ( -0.728 0.124 0.804) 1.092 1.910 ( 1.146 -1.946 -3.767) 4.392 1.983 ( 1.113 1.885 -4.254) 4.784 2.021 ( 0.877 1.231 0.334) 1.548 2.101 ( 2.819 1.233 -0.099) 3.079 2.187 ( 1.372 -6.137 -3.113) 7.016 2.237 ( 2.902 -4.876 2.163) 6.072 2.350 ( 0.446 -3.390 2.748) 4.387 2.418 ( -3.102 0.256 3.747) 4.871 2.438 ( 1.408 -0.801 -3.693) 4.032 2.548 ( -1.993 0.156 -0.714) 2.123 2.590 ( -3.424 0.349 3.641) 5.010 2.631 ( 1.523 0.661 0.678) 1.794 2.696 ( 1.252 -2.676 -0.467) 2.991 2.709 ( 3.815 -1.454 -2.048) 4.567 2.740 ( -0.885 0.031 -0.326) 0.943 2.796 ( 2.807 4.897 2.238) 6.072 2.876 ( -2.498 3.700 -2.345) 5.043 2.971 ( 1.825 1.988 0.697) 2.787 3.003 ( -2.261 -3.857 -0.425) 4.491 3.071 ( -0.162 1.133 -2.400) 2.659 3.118 ( 1.236 1.196 2.310) 2.880 3.163 ( 3.163 -3.218 -1.113) 4.648 3.192 ( -0.264 2.228 -2.746) 3.546 3.253 ( 1.081 2.891 -0.997) 3.243 3.389 ( -6.660 -1.723 1.201) 6.984 3.519 ( -0.400 -1.632 3.510) 3.892 3.540 ( 0.946 0.151 -1.006) 1.389 3.559 ( 2.279 -1.445 -2.108) 3.424 3.786 ( -1.561 1.911 -1.903) 3.116 3.852 ( 1.708 -0.506 0.632) 1.890 4.252 ( -4.179 1.386 0.831) 4.480 4.318 ( -2.109 -4.178 4.969) 6.826 4.340 ( -1.130 -3.615 -3.211) 4.966 4.374 ( 0.115 -6.222 0.119) 6.225 4.691 ( -3.181 2.915 0.132) 4.317 4.771 ( 1.648 0.578 -0.316) 1.775 4.808 ( -1.938 -1.788 -0.019) 2.637 4.921 ( 4.118 -1.505 6.283) 7.662 4.990 ( -8.295 9.477 1.882) 12.734 5.239 ( 5.061 2.158 -7.290) 9.133 5.680 ( -1.164 -3.132 -1.564) 3.690 5.694 ( -1.118 -3.947 0.380) 4.120 5.897 ( -6.674 2.007 -6.393) 9.457 6.050 ( 0.349 -1.669 8.634) 8.801 8.255 ( -1.076 -1.022 -1.850) 2.371 8.374 ( 4.139 -0.030 -0.565) 4.178 8.741 ( -3.889 4.136 1.524) 5.878 8.757 ( -4.160 1.398 -1.520) 4.645 8.857 ( 2.609 1.057 1.245) 3.078 8.881 ( 3.840 -1.762 1.274) 4.413 9.954 ( 0.400 -0.106 -0.200) 0.459 10.033 ( 4.953 -0.548 -0.113) 4.984 10.327 ( -0.301 -0.103 0.461) 0.560 10.384 ( 2.608 0.813 -0.089) 2.733 12.914 ( 0.324 1.073 -0.476) 1.218 12.958 ( 2.682 0.516 0.400) 2.761 13.282 ( -3.784 2.013 0.046) 4.287 13.376 ( 1.534 2.060 -1.385) 2.918 13.690 ( -4.470 -4.935 -5.368) 8.553 13.748 ( -3.352 -7.478 8.013) 11.462 13.839 ( 0.955 0.027 -2.648) 2.816 13.899 ( 3.127 -1.978 0.515) 3.736 14.083 ( -3.943 1.138 -0.018) 4.104 14.154 ( -0.529 -0.945 -0.346) 1.137 17.430 ( -2.442 4.622 -3.607) 6.351 17.450 ( -1.773 4.052 2.529) 5.095 23.338 ( -2.455 1.978 0.518) 3.195 23.372 ( -1.181 1.568 -2.014) 2.813 25.021 ( -0.686 0.628 -0.328) 0.986 25.068 ( 1.648 -0.233 0.126) 1.669 26.371 ( 0.100 0.241 -0.611) 0.664 26.395 ( 3.600 0.401 -0.924) 3.738 26.453 ( 2.924 -0.503 0.195) 2.974 26.525 ( 8.495 -1.818 0.287) 8.693 26.687 ( -1.214 2.125 1.704) 2.982 26.759 ( 2.932 2.152 -1.235) 3.841 27.125 ( -2.075 -3.149 1.031) 3.909 27.204 ( 2.490 -2.759 1.760) 4.112 27.998 ( -5.516 -0.875 -5.075) 7.547 28.010 ( -5.397 -0.344 4.317) 6.920 ======================= Grid point 101 (54/69) ======================= q-point: ( 0.22 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 12.618 7.617 -5.684) 15.797 1.213 ( 8.539 11.841 -11.091) 18.334 1.338 ( 3.496 -2.192 -0.415) 4.147 1.358 ( -1.242 -0.720 7.872) 8.002 1.615 ( 3.732 -3.207 -3.798) 6.217 1.655 ( 0.667 -1.482 -0.101) 1.629 1.686 ( -0.930 -0.443 3.696) 3.836 1.757 ( 4.093 1.096 -1.289) 4.429 1.822 ( 0.793 5.205 0.702) 5.312 1.878 ( 3.021 -0.073 3.235) 4.427 1.918 ( 3.717 -2.894 1.782) 5.036 2.000 ( 7.225 -0.801 -2.798) 7.789 2.065 ( -0.129 -2.034 2.568) 3.279 2.145 ( 1.689 1.405 1.879) 2.890 2.202 ( 5.354 -5.374 -3.116) 8.201 2.272 ( -1.082 -3.563 1.808) 4.140 2.378 ( 1.734 -2.849 0.264) 3.346 2.430 ( -1.324 2.202 -0.366) 2.595 2.438 ( 0.249 0.429 -0.456) 0.674 2.504 ( -0.553 -0.016 -1.989) 2.065 2.555 ( -6.284 -0.261 4.265) 7.599 2.653 ( -2.007 -1.693 1.611) 3.081 2.689 ( -0.853 1.282 -4.828) 5.068 2.711 ( 1.824 -3.100 -0.653) 3.656 2.752 ( -1.025 -0.577 -2.539) 2.798 2.810 ( 1.118 0.883 2.674) 3.029 2.850 ( -0.705 1.539 -1.421) 2.210 2.953 ( 1.342 -2.421 -1.497) 3.147 2.997 ( -1.590 -0.713 -3.885) 4.258 3.030 ( 2.136 1.894 1.961) 3.463 3.134 ( -0.142 1.051 -1.609) 1.927 3.196 ( 0.243 -1.783 1.581) 2.395 3.220 ( 4.018 1.495 0.270) 4.296 3.258 ( -0.916 2.546 1.958) 3.340 3.325 ( -3.117 3.769 1.460) 5.104 3.523 ( -0.383 -0.216 -1.521) 1.584 3.554 ( -0.363 1.042 1.804) 2.115 3.577 ( 2.243 0.004 -2.071) 3.053 3.752 ( 0.229 2.518 -0.376) 2.556 3.876 ( -0.310 0.020 0.966) 1.015 4.195 ( -2.824 0.933 0.117) 2.977 4.264 ( -3.732 -5.602 -2.068) 7.042 4.335 ( -3.415 -3.741 3.855) 6.365 4.357 ( -1.591 -2.293 -1.529) 3.182 4.641 ( -3.892 1.462 0.482) 4.186 4.708 ( -6.823 4.980 -0.252) 8.451 4.791 ( 1.718 -0.632 -1.548) 2.398 4.977 ( 1.031 4.207 4.073) 5.946 5.057 ( 3.709 -5.223 2.698) 6.951 5.214 ( 1.093 1.105 -2.220) 2.710 5.604 ( -4.316 -0.573 -2.200) 4.878 5.661 ( -0.439 -1.545 -1.472) 2.178 5.800 ( -1.997 1.310 0.356) 2.415 6.126 ( -3.656 -5.223 8.385) 10.534 8.215 ( -1.245 2.524 -3.100) 4.187 8.398 ( 1.451 2.803 -1.710) 3.589 8.636 ( -1.732 1.998 -3.144) 4.108 8.753 ( -4.640 2.335 4.823) 7.088 8.901 ( 4.092 -1.115 -3.312) 5.381 8.955 ( 2.340 -4.211 1.620) 5.082 9.990 ( 1.990 1.268 2.881) 3.724 10.121 ( 5.182 0.471 0.781) 5.262 10.347 ( 1.566 -2.238 0.921) 2.882 10.419 ( 2.050 -0.407 -0.857) 2.259 12.920 ( 0.817 0.514 -1.167) 1.515 12.998 ( 2.404 -0.459 -0.852) 2.591 13.219 ( -3.706 2.307 0.306) 4.376 13.369 ( 0.670 0.256 -2.336) 2.443 13.592 ( -1.716 0.704 -2.527) 3.135 13.746 ( -3.245 0.099 -0.793) 3.342 13.787 ( -2.310 -4.320 1.475) 5.116 13.986 ( -1.630 2.464 4.397) 5.297 14.017 ( 0.579 -2.138 -1.991) 2.978 14.147 ( -1.614 -1.872 2.899) 3.810 17.345 ( -1.857 3.223 -3.684) 5.235 17.429 ( -2.930 1.665 0.743) 3.451 23.289 ( -1.950 2.023 -1.698) 3.283 23.322 ( -2.926 2.620 -0.988) 4.050 25.016 ( 0.352 0.578 -0.059) 0.680 25.087 ( 1.039 -0.677 -0.672) 1.411 26.372 ( 1.209 0.663 0.026) 1.379 26.469 ( 5.276 -0.890 -0.551) 5.379 26.515 ( 3.641 -0.443 0.833) 3.761 26.690 ( 3.604 0.788 -0.507) 3.724 26.692 ( 6.327 -1.060 1.644) 6.622 26.800 ( 3.309 1.296 0.044) 3.554 27.121 ( -1.276 -0.998 2.657) 3.112 27.282 ( 2.395 -0.369 3.916) 4.605 27.804 ( -7.302 -0.966 -7.923) 10.818 27.937 ( -8.822 -2.268 2.278) 9.390 ======================= Grid point 102 (55/69) ======================= q-point: ( 0.33 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 9.768 7.585 -11.310) 16.759 1.319 ( 4.064 3.076 -6.020) 7.887 1.330 ( 8.084 3.228 -6.830) 11.065 1.423 ( -1.299 -3.093 7.588) 8.297 1.605 ( 1.059 -1.143 -4.021) 4.312 1.637 ( 6.418 -2.264 -0.192) 6.808 1.727 ( -2.785 2.561 2.387) 4.474 1.767 ( -0.532 1.244 -0.503) 1.443 1.908 ( 3.182 -0.383 2.350) 3.974 1.985 ( 3.052 -0.408 4.357) 5.335 2.017 ( 4.398 -2.982 0.318) 5.323 2.095 ( -0.013 2.556 -1.198) 2.822 2.106 ( 3.329 -3.505 5.262) 7.145 2.192 ( -0.678 0.998 4.464) 4.624 2.238 ( -1.721 -0.799 1.095) 2.191 2.285 ( 4.901 -2.400 -0.984) 5.545 2.341 ( -3.573 0.685 -0.528) 3.676 2.402 ( -0.580 1.854 -2.212) 2.944 2.420 ( -1.216 -3.635 1.847) 4.255 2.482 ( 1.582 0.065 -2.918) 3.319 2.530 ( 3.822 2.692 -0.072) 4.675 2.606 ( -2.120 0.077 -0.592) 2.203 2.641 ( -2.966 -3.277 -0.886) 4.508 2.663 ( -0.613 1.295 -3.128) 3.441 2.779 ( 3.207 -5.721 0.498) 6.577 2.802 ( -1.909 -1.288 -1.643) 2.829 2.891 ( 0.224 -2.528 -3.012) 3.938 2.938 ( 3.475 0.254 4.359) 5.580 3.005 ( 1.212 0.283 -0.437) 1.319 3.066 ( -0.530 4.479 -0.388) 4.527 3.122 ( -0.720 -1.818 1.289) 2.341 3.199 ( -1.738 -2.223 2.174) 3.562 3.239 ( -2.349 0.787 0.220) 2.487 3.268 ( 1.864 5.445 -3.527) 6.750 3.322 ( 0.821 6.770 2.471) 7.253 3.483 ( -2.635 1.078 -4.076) 4.972 3.531 ( -1.812 1.647 0.194) 2.456 3.587 ( 3.069 2.446 -3.588) 5.317 3.799 ( 2.705 -0.185 2.725) 3.844 3.871 ( -0.890 1.857 1.450) 2.518 4.151 ( -5.096 -1.994 -1.145) 5.590 4.172 ( -2.270 -5.018 -1.189) 5.634 4.292 ( -3.319 -0.973 -0.498) 3.494 4.305 ( -2.221 1.125 -1.132) 2.735 4.584 ( -1.990 1.640 0.366) 2.604 4.655 ( -3.704 2.658 3.453) 5.719 4.794 ( 0.774 -0.182 -1.519) 1.714 4.950 ( -2.019 -2.404 -6.578) 7.289 5.176 ( 8.912 -2.341 3.683) 9.923 5.275 ( -1.165 -0.777 9.033) 9.141 5.548 ( -1.748 1.352 0.882) 2.379 5.643 ( -0.061 -0.830 -1.265) 1.515 5.785 ( -1.473 0.484 1.502) 2.159 6.111 ( -7.182 -5.899 4.025) 10.128 8.157 ( -0.435 2.560 -2.742) 3.777 8.388 ( -0.047 -0.286 -3.498) 3.510 8.578 ( -3.215 2.524 0.279) 4.097 8.751 ( -0.803 4.786 3.347) 5.895 8.901 ( 2.881 -0.535 -6.268) 6.920 8.984 ( 0.101 -3.037 -0.350) 3.059 10.078 ( 2.258 1.102 5.717) 6.245 10.218 ( 4.254 -0.021 2.311) 4.841 10.380 ( 0.856 -2.911 0.352) 3.055 10.432 ( 1.768 -1.555 -1.972) 3.071 12.901 ( 0.038 0.928 -2.587) 2.749 13.010 ( 0.845 0.410 -2.453) 2.627 13.178 ( -2.370 2.150 1.544) 3.553 13.355 ( 0.976 -1.999 -2.755) 3.541 13.558 ( -0.266 4.912 -0.784) 4.981 13.696 ( -0.149 0.012 0.006) 0.150 13.788 ( -2.265 -3.046 3.912) 5.451 13.919 ( -4.373 -2.184 -1.348) 5.071 14.071 ( 2.625 0.477 1.248) 2.945 14.173 ( -0.955 0.774 4.436) 4.603 17.297 ( 0.056 1.228 -2.007) 2.353 17.382 ( -2.589 -0.251 -0.551) 2.659 23.244 ( -1.102 2.051 -1.590) 2.820 23.263 ( -2.222 2.585 -1.354) 3.668 25.027 ( 0.573 0.339 0.405) 0.779 25.088 ( 0.495 -0.730 -1.212) 1.499 26.411 ( 2.255 0.402 1.533) 2.756 26.538 ( 2.478 -2.957 1.154) 4.027 26.583 ( 4.135 1.638 -0.615) 4.490 26.692 ( 0.147 0.113 -0.114) 0.218 26.822 ( 5.012 -0.645 0.367) 5.067 26.905 ( 6.467 0.080 4.153) 7.686 27.135 ( -0.917 2.201 2.115) 3.187 27.355 ( 0.258 2.990 4.080) 5.065 27.598 ( -4.763 -3.405 -8.776) 10.550 27.789 ( -9.209 -3.578 -1.811) 10.044 ======================= Grid point 103 (56/69) ======================= q-point: ( 0.44 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 4.791 -1.211 -4.986) 7.020 1.249 ( -2.658 -1.938 -4.254) 5.378 1.389 ( 10.992 0.319 -2.859) 11.362 1.520 ( 2.872 -0.503 2.257) 3.687 1.605 ( 1.638 -0.128 -2.320) 2.842 1.637 ( -8.347 1.831 0.507) 8.560 1.720 ( -5.109 0.617 -0.605) 5.181 1.763 ( 4.503 -3.502 -1.823) 5.989 1.938 ( -3.373 6.576 0.474) 7.406 1.982 ( 1.078 -3.897 1.175) 4.210 2.035 ( 2.393 -5.178 -2.119) 6.085 2.115 ( 1.362 -1.205 1.534) 2.379 2.183 ( -2.386 -0.350 0.230) 2.422 2.214 ( -0.769 -1.934 1.726) 2.704 2.259 ( 0.949 1.293 6.505) 6.700 2.325 ( -1.094 -0.939 1.484) 2.070 2.366 ( 0.760 1.261 3.223) 3.543 2.415 ( 1.018 -1.123 2.042) 2.543 2.467 ( 7.282 4.312 2.142) 8.730 2.511 ( -1.231 -3.849 -0.274) 4.051 2.559 ( 0.399 1.858 -0.473) 1.959 2.571 ( 1.486 -1.732 -3.007) 3.775 2.649 ( 6.386 1.218 0.205) 6.505 2.666 ( 0.714 -0.083 -1.181) 1.383 2.740 ( -0.038 0.598 -1.288) 1.421 2.801 ( 0.632 -1.889 0.216) 2.003 2.880 ( -0.574 -2.716 -0.023) 2.776 2.953 ( -4.143 1.719 -2.533) 5.151 3.005 ( -3.585 -0.269 -0.332) 3.611 3.040 ( -3.775 0.761 -3.634) 5.294 3.105 ( 0.976 4.615 4.042) 6.212 3.203 ( 1.886 4.122 -4.276) 6.231 3.218 ( -2.085 -0.404 1.586) 2.651 3.246 ( 1.153 -1.260 1.775) 2.463 3.368 ( -2.984 0.392 -2.809) 4.117 3.377 ( 3.220 5.735 -2.199) 6.935 3.510 ( -2.724 2.170 2.399) 4.229 3.599 ( 4.140 3.199 -4.593) 6.962 3.863 ( 2.201 0.624 1.542) 2.759 3.908 ( 0.979 0.968 2.376) 2.746 4.049 ( -3.406 -2.712 -0.845) 4.435 4.118 ( -3.412 -4.145 -1.583) 5.597 4.244 ( -2.127 0.071 0.253) 2.143 4.268 ( 0.263 2.110 -2.289) 3.124 4.589 ( 0.780 0.727 1.590) 1.914 4.633 ( -2.851 1.092 1.872) 3.581 4.786 ( 0.526 0.292 -1.172) 1.317 4.845 ( -2.055 -0.852 -4.488) 5.009 5.340 ( -4.399 -1.772 9.502) 10.620 5.390 ( 11.338 -3.220 1.096) 11.837 5.553 ( 0.489 -0.082 2.021) 2.081 5.624 ( -0.600 -0.716 -1.194) 1.516 5.796 ( -0.052 0.665 3.460) 3.524 5.998 ( -7.470 -3.653 -1.380) 8.429 8.157 ( 2.831 -0.217 -0.690) 2.922 8.299 ( -2.865 -4.776 -6.058) 8.230 8.574 ( -1.206 5.295 4.895) 7.311 8.767 ( 0.573 5.183 -2.520) 5.791 8.874 ( 1.050 1.221 -1.978) 2.551 8.956 ( -1.497 0.442 -1.963) 2.508 10.183 ( 1.331 -0.332 6.535) 6.678 10.302 ( 2.132 -1.117 2.161) 3.235 10.374 ( -0.891 -2.129 -0.806) 2.445 10.433 ( 1.155 -1.756 -2.368) 3.166 12.882 ( 0.517 2.073 -0.882) 2.312 12.968 ( -0.732 1.876 -4.096) 4.564 13.180 ( -0.565 1.481 2.849) 3.261 13.317 ( -0.358 -0.364 -4.428) 4.458 13.591 ( 2.872 -0.401 2.919) 4.115 13.713 ( -1.496 1.411 2.312) 3.094 13.803 ( -0.009 -2.762 0.913) 2.909 13.829 ( -2.495 -5.789 -2.130) 6.654 14.133 ( 2.084 2.542 2.583) 4.181 14.198 ( -0.794 3.207 1.747) 3.737 17.295 ( 1.274 -0.131 -0.525) 1.384 17.336 ( -1.805 -0.728 -1.041) 2.207 23.218 ( -0.242 1.929 -1.059) 2.214 23.224 ( -0.703 2.144 -1.145) 2.530 25.040 ( 0.148 0.146 0.779) 0.807 25.078 ( 0.156 -0.533 -1.357) 1.466 26.470 ( 1.445 0.392 2.639) 3.034 26.568 ( 0.196 -2.115 -0.380) 2.158 26.627 ( 1.618 1.413 0.347) 2.176 26.694 ( 1.143 -1.925 -1.482) 2.685 26.909 ( 2.232 0.528 4.480) 5.033 27.057 ( 3.141 -0.070 6.835) 7.523 27.118 ( -1.016 4.351 -2.194) 4.977 27.357 ( -2.440 2.884 -1.142) 3.947 27.509 ( 4.676 -4.930 -5.037) 8.458 27.604 ( -9.201 -2.681 -2.746) 9.969 ======================= Grid point 104 (57/69) ======================= q-point: (-0.44 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -6.519 -2.736 0.663) 7.101 1.213 ( -0.955 -2.227 -1.246) 2.725 1.403 ( -13.972 1.038 -4.524) 14.723 1.539 ( -3.547 -0.581 1.215) 3.794 1.601 ( 9.047 -3.214 1.754) 9.759 1.613 ( 4.420 2.333 -2.628) 5.647 1.651 ( -4.284 -1.223 6.649) 8.004 1.789 ( 3.150 -3.375 -3.986) 6.099 1.890 ( -4.363 -1.852 3.469) 5.874 2.007 ( 4.692 0.028 -4.708) 6.647 2.068 ( -2.327 -1.694 1.373) 3.189 2.115 ( 0.621 -1.358 -1.706) 2.267 2.172 ( -1.249 -1.914 3.116) 3.864 2.210 ( 0.829 -3.032 -0.542) 3.189 2.317 ( -2.855 -0.787 -0.849) 3.081 2.348 ( 0.344 1.262 2.245) 2.599 2.394 ( 0.169 1.357 0.842) 1.606 2.415 ( 1.300 -1.884 4.458) 5.012 2.493 ( -2.543 -1.068 1.144) 2.986 2.519 ( -1.968 -0.039 -4.260) 4.693 2.537 ( -5.932 3.702 -1.727) 7.202 2.600 ( -0.113 -0.745 2.569) 2.677 2.643 ( 3.422 2.315 2.997) 5.104 2.684 ( -7.353 8.322 -7.099) 13.180 2.738 ( 1.116 -0.743 -2.117) 2.506 2.836 ( 0.631 0.516 -0.516) 0.965 2.853 ( -0.110 1.186 1.573) 1.973 2.899 ( 5.432 -0.353 1.668) 5.693 2.967 ( -0.162 -1.036 0.035) 1.049 3.004 ( 3.491 1.952 1.454) 4.256 3.121 ( -0.741 -1.117 1.393) 1.933 3.176 ( 0.477 1.963 -2.459) 3.182 3.248 ( 0.098 1.449 -1.135) 1.843 3.295 ( 1.241 2.416 2.102) 3.434 3.316 ( 0.206 -1.510 0.381) 1.571 3.385 ( 2.325 1.613 -4.573) 5.377 3.500 ( -2.929 3.028 3.424) 5.429 3.606 ( 3.461 1.574 -5.382) 6.590 3.889 ( -2.363 2.380 -0.657) 3.418 3.920 ( 1.962 0.601 1.019) 2.291 4.044 ( -2.114 -3.843 -0.432) 4.407 4.070 ( 2.347 -3.710 2.354) 4.981 4.212 ( -2.372 1.965 1.524) 3.436 4.275 ( 3.071 0.642 -1.703) 3.570 4.604 ( -1.528 0.716 0.320) 1.718 4.645 ( 3.610 0.675 0.846) 3.769 4.783 ( -1.220 0.585 -1.086) 1.735 4.797 ( 1.330 -0.173 0.206) 1.356 5.330 ( -8.557 -0.895 6.220) 10.616 5.491 ( 3.568 -1.884 -3.744) 5.504 5.587 ( -0.674 -0.798 -0.763) 1.293 5.624 ( 3.901 -2.214 -1.555) 4.747 5.849 ( -3.558 -1.360 1.415) 4.064 5.936 ( 7.580 -0.532 2.297) 7.938 8.185 ( -2.613 -3.538 -3.486) 5.612 8.225 ( 4.385 -3.383 0.079) 5.539 8.625 ( -1.975 5.178 6.555) 8.584 8.709 ( 0.427 2.832 -6.057) 6.700 8.896 ( -1.052 3.485 0.269) 3.650 8.912 ( 0.856 2.840 0.253) 2.977 10.259 ( -0.998 -1.693 5.099) 5.464 10.297 ( -1.665 -2.577 -3.462) 4.626 10.371 ( -0.996 -0.563 2.879) 3.099 10.411 ( 0.220 -1.174 -2.864) 3.103 12.898 ( 0.449 2.397 1.038) 2.651 12.911 ( -0.214 2.587 -2.689) 3.737 13.221 ( 0.559 0.855 3.927) 4.058 13.261 ( 0.176 0.743 -4.291) 4.358 13.656 ( -3.714 -1.534 -1.512) 4.294 13.698 ( 3.263 -0.285 2.364) 4.039 13.764 ( -2.588 -5.532 2.559) 6.622 13.861 ( 5.263 -3.757 -2.681) 7.000 14.171 ( -1.833 4.102 0.227) 4.498 14.202 ( 1.891 3.889 0.569) 4.362 17.292 ( -1.660 -0.507 -0.257) 1.755 17.328 ( 2.477 -0.795 -0.483) 2.646 23.210 ( 0.328 1.918 -0.417) 1.990 23.216 ( 1.044 2.093 -0.606) 2.417 25.050 ( -0.278 -0.037 1.117) 1.152 25.062 ( -0.246 -0.305 -1.214) 1.276 26.507 ( -1.226 0.953 3.057) 3.429 26.534 ( -1.840 -0.474 -2.617) 3.234 26.653 ( 0.040 0.061 1.654) 1.656 26.689 ( 1.082 -3.507 -2.933) 4.698 26.938 ( -7.391 2.381 3.787) 8.640 27.075 ( 2.764 4.287 -1.103) 5.219 27.207 ( 2.524 -1.173 8.376) 8.826 27.271 ( -0.518 -3.557 -10.080) 10.702 27.438 ( -7.193 0.990 3.319) 7.984 27.608 ( 9.302 -1.987 -2.645) 9.872 ======================= Grid point 105 (58/69) ======================= q-point: (-0.33 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -14.229 1.377 3.722) 14.772 1.156 ( -10.227 2.727 6.799) 12.580 1.228 ( -3.295 2.564 1.027) 4.299 1.514 ( -0.834 -1.442 1.972) 2.581 1.584 ( -3.633 0.353 0.891) 3.757 1.610 ( -1.044 -3.233 -1.868) 3.877 1.740 ( -2.424 1.237 0.668) 2.803 1.793 ( 2.279 -0.267 -1.369) 2.672 1.901 ( -4.924 -2.157 2.438) 5.903 1.978 ( -2.898 -3.313 0.814) 4.476 2.056 ( -1.982 5.805 -1.112) 6.234 2.073 ( -3.107 -0.771 -0.077) 3.202 2.141 ( -4.046 -6.654 -0.512) 7.804 2.220 ( 0.994 1.520 2.777) 3.318 2.290 ( -1.262 -0.172 -1.339) 1.848 2.315 ( -1.252 -1.284 -1.965) 2.660 2.379 ( 0.309 3.428 -1.224) 3.652 2.394 ( -0.337 1.769 -1.726) 2.494 2.415 ( -2.757 2.437 -3.066) 4.789 2.457 ( -2.070 1.124 1.192) 2.639 2.526 ( 2.538 2.759 -1.630) 4.088 2.610 ( 0.904 -4.810 1.496) 5.117 2.616 ( -1.883 0.991 0.434) 2.172 2.679 ( 2.468 -3.655 -1.798) 4.763 2.760 ( 3.027 -0.158 -0.402) 3.057 2.808 ( -0.130 1.964 1.382) 2.405 2.875 ( -1.314 -2.410 -2.457) 3.684 2.927 ( -1.866 -0.603 3.853) 4.324 3.002 ( 1.529 -2.443 3.010) 4.167 3.066 ( -2.817 1.073 -4.281) 5.236 3.146 ( -2.131 -1.313 1.311) 2.825 3.193 ( 6.050 4.296 3.300) 8.121 3.249 ( 5.252 3.367 -2.757) 6.820 3.277 ( -3.074 2.158 -1.519) 4.051 3.352 ( 1.852 1.230 -2.860) 3.622 3.398 ( 2.664 -1.611 3.265) 4.511 3.495 ( -2.050 2.568 3.000) 4.449 3.593 ( 2.634 0.364 -4.530) 5.253 3.851 ( -1.184 -0.022 -1.855) 2.200 3.914 ( -0.337 0.581 -2.018) 2.127 4.080 ( 3.119 -3.707 4.326) 6.495 4.133 ( 0.911 -1.845 2.437) 3.189 4.225 ( 0.086 2.158 3.709) 4.292 4.321 ( 4.653 -1.099 -1.000) 4.885 4.591 ( 0.137 1.901 -0.165) 1.913 4.712 ( 3.869 0.164 -1.365) 4.106 4.771 ( -0.028 1.228 0.809) 1.470 4.841 ( 1.789 -1.624 2.659) 3.593 5.214 ( -9.148 1.533 0.743) 9.305 5.466 ( 1.234 -2.963 -6.665) 7.397 5.579 ( 1.099 1.060 -1.009) 1.830 5.638 ( 0.896 -0.892 -2.113) 2.462 5.812 ( -0.429 -0.595 -0.464) 0.868 6.148 ( 11.627 -3.671 1.496) 12.284 8.126 ( -0.780 -0.335 -0.698) 1.099 8.308 ( 2.941 -4.125 2.389) 5.601 8.609 ( -2.074 5.315 -0.378) 5.718 8.719 ( 0.908 2.584 3.817) 4.698 8.853 ( -1.394 3.523 -1.803) 4.196 8.965 ( 1.856 0.199 1.726) 2.543 10.199 ( -3.751 -1.092 -4.586) 6.024 10.249 ( -4.587 -1.671 0.417) 4.899 10.379 ( -1.960 -1.146 2.709) 3.534 10.392 ( 0.540 -1.586 -1.225) 2.076 12.873 ( -0.383 2.294 -0.760) 2.447 12.946 ( 0.854 2.057 2.802) 3.580 13.233 ( 1.943 1.603 -3.208) 4.079 13.279 ( 0.332 -0.266 3.937) 3.960 13.572 ( -2.345 -0.022 -1.887) 3.010 13.698 ( -2.820 0.594 -0.098) 2.884 13.839 ( 4.684 -2.771 2.701) 6.076 13.912 ( 5.208 -5.574 -3.409) 8.356 14.113 ( -2.772 4.043 -2.405) 5.460 14.239 ( 2.227 3.360 -0.944) 4.140 17.269 ( -1.046 0.347 0.450) 1.191 17.371 ( 2.897 -1.436 0.059) 3.234 23.221 ( 1.025 2.094 0.328) 2.354 23.242 ( 2.315 2.830 0.230) 3.663 25.041 ( -0.809 -0.119 -0.879) 1.201 25.058 ( -0.516 -0.292 1.355) 1.479 26.461 ( -2.825 0.181 -2.753) 3.949 26.497 ( -4.003 0.956 2.543) 4.838 26.651 ( -0.465 -4.771 -3.378) 5.864 26.670 ( -0.705 0.969 1.031) 1.581 26.828 ( -6.770 1.622 -0.018) 6.962 27.017 ( -8.328 1.567 -4.355) 9.528 27.186 ( 3.032 -2.798 -2.647) 4.902 27.390 ( 2.469 -4.784 9.477) 10.899 27.410 ( 2.624 6.007 -0.033) 6.555 27.746 ( 9.096 -1.985 0.237) 9.313 ======================= Grid point 106 (59/69) ======================= q-point: (-0.22 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -10.515 11.955 12.131) 20.016 1.038 ( -14.748 12.499 7.569) 20.761 1.235 ( -1.097 1.605 4.595) 4.990 1.496 ( -9.498 0.413 2.724) 9.889 1.555 ( -0.229 -2.944 4.198) 5.133 1.574 ( 4.370 -3.848 -6.771) 8.930 1.647 ( -9.423 2.757 8.825) 13.202 1.809 ( -0.171 -0.679 -4.446) 4.501 1.820 ( -5.679 2.987 5.172) 8.242 1.901 ( -6.910 3.954 -0.790) 8.000 1.951 ( -4.076 -1.553 -2.534) 5.044 1.984 ( -4.166 -2.927 -2.523) 5.683 2.137 ( -0.275 -5.657 -3.773) 6.806 2.180 ( -2.893 -2.248 -1.558) 3.981 2.249 ( -0.946 0.302 -5.070) 5.166 2.319 ( -0.454 -2.542 -1.524) 2.998 2.370 ( -0.113 -2.813 2.141) 3.536 2.403 ( 3.660 0.754 1.976) 4.227 2.461 ( 1.711 -0.047 -0.984) 1.975 2.469 ( 1.492 2.121 1.137) 2.832 2.557 ( 5.903 0.529 1.485) 6.110 2.602 ( 1.122 2.177 0.804) 2.578 2.649 ( 1.961 0.237 4.115) 4.564 2.713 ( 1.283 -2.506 -0.451) 2.851 2.754 ( -2.059 -3.168 -3.765) 5.334 2.812 ( 0.326 -0.011 0.538) 0.629 2.858 ( 0.293 -0.211 1.490) 1.533 2.922 ( -3.387 1.267 -4.203) 5.545 2.962 ( -0.809 0.655 3.455) 3.609 3.060 ( -0.295 -0.348 1.205) 1.288 3.106 ( -2.828 -2.766 -1.219) 4.139 3.225 ( -0.112 -1.880 -0.794) 2.044 3.247 ( -0.386 5.033 -2.462) 5.616 3.304 ( 2.344 -0.355 -1.544) 2.830 3.357 ( 2.500 3.249 -0.809) 4.178 3.478 ( 0.413 0.607 4.512) 4.571 3.506 ( 0.213 0.592 1.624) 1.742 3.602 ( 3.584 -0.404 -3.222) 4.836 3.793 ( -1.472 -0.246 -3.153) 3.488 3.906 ( 1.021 -0.783 -1.602) 2.055 4.173 ( 1.671 1.818 1.865) 3.095 4.198 ( 2.881 -6.170 5.033) 8.468 4.269 ( -0.367 1.952 4.655) 5.061 4.407 ( 6.391 -5.139 -1.284) 8.301 4.620 ( 3.009 2.975 1.572) 4.514 4.730 ( 0.853 0.031 -1.032) 1.339 4.780 ( 0.372 0.400 -0.754) 0.931 4.913 ( 0.677 -3.581 5.939) 6.967 5.092 ( -3.416 5.850 -3.153) 7.473 5.374 ( -1.038 -1.061 -9.800) 9.912 5.593 ( 2.206 2.357 -0.986) 3.375 5.629 ( -0.450 -0.446 0.782) 1.007 5.813 ( 0.641 -0.400 -0.193) 0.780 6.295 ( 8.497 -5.849 -6.011) 11.939 8.146 ( 1.524 2.370 2.549) 3.800 8.356 ( -0.585 -0.678 2.079) 2.264 8.600 ( -0.689 5.038 1.816) 5.400 8.780 ( -1.120 0.662 4.895) 5.065 8.822 ( 1.805 1.602 -1.836) 3.032 8.992 ( 0.785 -3.354 -1.009) 3.589 10.080 ( -3.806 0.576 -4.503) 5.924 10.149 ( -5.899 -1.031 -1.403) 6.150 10.356 ( -2.732 -1.177 0.706) 3.058 10.399 ( 0.179 -1.897 0.319) 1.932 12.878 ( 0.073 1.025 1.701) 1.987 12.973 ( -1.129 0.621 1.498) 1.976 13.251 ( 3.929 2.795 -2.301) 5.342 13.311 ( -0.842 -1.157 2.678) 3.037 13.557 ( 0.504 5.009 0.819) 5.101 13.663 ( -1.005 -0.215 1.957) 2.210 13.914 ( 4.863 -3.572 -4.632) 7.607 13.966 ( 3.053 -2.541 1.480) 4.239 14.047 ( -1.080 3.387 -2.100) 4.129 14.247 ( 2.245 0.294 -4.387) 4.936 17.276 ( 0.212 1.913 2.278) 2.982 17.425 ( 3.143 -0.821 0.678) 3.318 23.250 ( 1.353 2.370 1.359) 3.048 23.299 ( 3.871 3.871 0.957) 5.558 25.018 ( -0.891 0.143 -0.336) 0.962 25.063 ( -0.879 -0.545 1.347) 1.698 26.391 ( -2.229 0.369 -1.609) 2.774 26.445 ( -4.504 0.440 1.164) 4.673 26.581 ( -2.258 -3.569 -4.596) 6.242 26.648 ( -6.317 -1.121 2.551) 6.904 26.736 ( -2.614 1.331 -1.296) 3.207 26.830 ( -7.025 2.540 -3.192) 8.123 27.199 ( 2.216 -2.840 -3.606) 5.097 27.363 ( -2.795 -2.453 -2.463) 4.460 27.620 ( 7.885 2.684 8.274) 11.740 27.919 ( 9.421 -2.271 3.289) 10.234 ======================= Grid point 107 (60/69) ======================= q-point: (-0.11 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -10.385 11.447 9.402) 18.091 0.950 ( -7.845 13.043 14.111) 20.755 1.293 ( 1.304 1.950 5.420) 5.906 1.433 ( -3.754 3.241 1.861) 5.297 1.521 ( -6.357 -6.282 -5.843) 10.678 1.570 ( -5.335 3.586 4.625) 7.919 1.658 ( -0.231 -4.506 4.948) 6.696 1.706 ( -1.553 -3.646 1.967) 4.424 1.755 ( -6.937 5.652 1.018) 9.006 1.857 ( 2.298 4.711 -1.084) 5.352 1.884 ( -0.574 -0.505 -2.621) 2.730 1.941 ( 1.548 0.997 0.873) 2.038 2.082 ( -2.209 0.914 -4.478) 5.076 2.123 ( -0.924 -7.295 -1.278) 7.464 2.187 ( 0.128 -2.112 -3.591) 4.168 2.286 ( -1.834 -4.529 -2.074) 5.308 2.338 ( -2.975 -1.891 -0.020) 3.525 2.416 ( 0.114 -2.458 -1.052) 2.676 2.485 ( 3.570 1.487 -0.394) 3.887 2.522 ( 2.322 1.635 1.346) 3.143 2.593 ( -3.874 -3.573 0.517) 5.296 2.658 ( -2.180 -2.215 1.497) 3.450 2.695 ( -0.222 -3.494 -1.799) 3.937 2.732 ( 2.461 3.034 0.920) 4.013 2.781 ( 6.012 0.801 -3.009) 6.770 2.833 ( -2.502 3.010 -0.507) 3.947 2.839 ( 1.751 0.811 -0.430) 1.977 2.895 ( 0.486 -0.712 6.053) 6.114 2.997 ( 1.854 -2.486 3.149) 4.419 3.025 ( -2.089 1.421 -3.573) 4.376 3.069 ( -2.674 -2.187 3.242) 4.737 3.182 ( -1.902 1.914 -2.105) 3.422 3.220 ( 0.447 0.235 -2.179) 2.237 3.296 ( 0.415 1.178 -2.979) 3.231 3.399 ( 3.704 2.084 0.061) 4.250 3.508 ( -1.238 -0.986 1.977) 2.532 3.525 ( -0.869 -1.797 1.053) 2.257 3.610 ( 2.422 -1.443 -4.463) 5.279 3.763 ( 1.182 2.280 -0.884) 2.716 3.889 ( -0.515 -2.546 -1.991) 3.273 4.239 ( 3.520 1.961 1.933) 4.469 4.250 ( -1.252 0.365 3.638) 3.864 4.332 ( -0.304 -6.708 4.143) 7.890 4.452 ( 3.219 -7.570 -5.090) 9.673 4.702 ( 2.427 1.589 -0.263) 2.913 4.747 ( -0.202 0.290 1.947) 1.979 4.786 ( 2.086 -0.829 1.331) 2.609 4.964 ( -4.631 -5.273 4.539) 8.358 5.048 ( 4.633 9.253 -3.144) 10.815 5.227 ( -1.805 6.537 -8.369) 10.771 5.635 ( 1.193 -0.702 1.863) 2.321 5.657 ( 2.128 -0.639 2.788) 3.565 5.828 ( 1.363 0.999 0.703) 1.830 6.279 ( 2.203 -4.621 -11.365) 12.465 8.206 ( 1.453 1.891 2.762) 3.649 8.350 ( -2.098 0.216 1.236) 2.445 8.621 ( -0.031 5.577 4.758) 7.331 8.778 ( -3.690 -1.067 3.719) 5.347 8.850 ( 1.022 -0.668 -1.955) 2.305 8.986 ( 2.303 -1.826 -4.322) 5.227 9.987 ( -1.617 0.400 -2.873) 3.321 10.046 ( -4.455 -0.220 -1.117) 4.599 10.324 ( -1.603 -0.129 0.634) 1.729 10.393 ( -0.795 -0.885 -0.729) 1.396 12.895 ( -0.483 0.783 1.286) 1.581 12.957 ( -1.568 0.196 0.440) 1.641 13.291 ( 3.364 2.728 -1.135) 4.478 13.334 ( -0.090 1.132 2.206) 2.481 13.583 ( 0.506 -2.145 3.751) 4.351 13.726 ( 2.096 1.596 4.228) 4.981 13.918 ( 3.581 -6.137 -5.732) 9.129 13.958 ( -2.889 -0.504 -1.822) 3.453 14.091 ( 5.847 2.354 -0.548) 6.327 14.204 ( -0.183 -2.223 -5.417) 5.858 17.335 ( 1.839 4.126 4.459) 6.347 17.482 ( 2.800 1.669 -0.114) 3.262 23.295 ( 1.244 2.125 2.462) 3.481 23.378 ( 4.582 3.056 -0.623) 5.543 25.011 ( 0.211 0.429 0.434) 0.646 25.059 ( -1.275 -0.391 0.879) 1.598 26.358 ( -0.650 0.019 0.135) 0.664 26.393 ( -1.997 -0.106 -0.254) 2.016 26.471 ( -5.823 -0.327 -1.704) 6.076 26.533 ( -6.415 -2.703 -0.327) 6.969 26.717 ( 0.107 2.650 -0.178) 2.658 26.733 ( -3.151 2.841 -0.066) 4.244 27.180 ( 1.441 -3.667 -3.963) 5.588 27.263 ( -4.495 -3.222 -3.146) 6.363 27.827 ( 5.083 2.540 8.362) 10.109 28.092 ( 7.746 -3.273 -0.653) 8.435 ======================= Grid point 108 (61/69) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -0.155 3.544 2.676) 4.444 1.103 ( -3.927 -6.811 -7.587) 10.926 1.259 ( -3.338 12.181 9.050) 15.538 1.411 ( -3.523 2.571 -0.533) 4.394 1.511 ( 5.731 3.793 -1.224) 6.980 1.570 ( 0.331 -1.908 -3.772) 4.240 1.577 ( -1.506 -5.077 8.337) 9.876 1.650 ( 2.979 -4.127 0.675) 5.134 1.826 ( -2.124 1.482 1.989) 3.266 1.868 ( -0.258 -2.771 -2.145) 3.514 1.981 ( 3.551 2.690 2.823) 5.274 2.002 ( -0.865 2.418 0.939) 2.735 2.062 ( -1.561 0.243 -2.663) 3.096 2.095 ( -1.291 -2.840 -0.474) 3.156 2.111 ( 1.762 0.550 -4.988) 5.319 2.120 ( 0.421 -1.487 -1.592) 2.219 2.277 ( -1.553 -0.160 -1.413) 2.106 2.329 ( 3.037 -4.428 -5.105) 7.409 2.484 ( -0.069 1.631 2.608) 3.077 2.508 ( 0.395 2.219 0.446) 2.298 2.543 ( -0.810 -3.150 0.996) 3.401 2.592 ( 0.103 -4.802 -0.929) 4.892 2.721 ( -0.406 4.705 3.306) 5.765 2.772 ( -1.649 0.412 0.098) 1.702 2.811 ( -0.367 3.006 -0.891) 3.156 2.823 ( 0.490 1.431 -0.741) 1.684 2.925 ( -0.412 0.020 4.009) 4.031 2.973 ( -2.310 -3.039 4.663) 6.026 3.009 ( 2.339 0.083 1.374) 2.714 3.022 ( 2.787 0.315 1.892) 3.383 3.122 ( 0.788 4.249 3.165) 5.357 3.158 ( -0.836 0.993 -0.705) 1.477 3.241 ( 1.389 0.612 -1.038) 1.839 3.290 ( -2.130 -1.505 -3.893) 4.686 3.424 ( -3.034 0.350 1.082) 3.240 3.464 ( 0.043 -2.187 -0.987) 2.400 3.488 ( 1.039 1.194 0.041) 1.583 3.531 ( 0.726 -2.345 -3.277) 4.095 3.856 ( 0.829 3.125 0.227) 3.241 3.874 ( 0.654 1.436 -0.988) 1.862 4.174 ( -0.419 -3.953 0.448) 4.000 4.214 ( 0.875 -6.991 -3.519) 7.875 4.316 ( -1.477 1.147 1.636) 2.484 4.333 ( 0.602 -0.379 -0.250) 0.754 4.732 ( 1.231 0.235 1.649) 2.071 4.754 ( -0.760 -1.426 0.097) 1.619 4.791 ( 0.619 -0.169 1.425) 1.563 4.820 ( -3.251 -2.376 -0.354) 4.042 5.242 ( -0.589 5.665 -0.448) 5.714 5.295 ( 3.067 1.135 -4.763) 5.778 5.621 ( -0.346 -1.386 0.962) 1.722 5.630 ( -0.275 -2.254 0.232) 2.282 5.985 ( 0.925 4.524 2.479) 5.241 6.076 ( -1.361 -3.275 -5.838) 6.831 8.249 ( 1.493 -0.747 0.026) 1.670 8.263 ( -2.040 -1.931 -1.194) 3.052 8.748 ( 0.007 -0.303 1.460) 1.491 8.767 ( -1.048 -1.901 0.277) 2.188 8.895 ( 0.739 6.844 5.355) 8.722 8.977 ( 0.080 -0.240 -1.451) 1.473 9.955 ( 0.380 -0.201 -1.365) 1.431 9.963 ( -0.462 -0.838 -2.042) 2.255 10.352 ( 0.200 1.014 1.001) 1.439 10.367 ( 0.356 -0.280 -0.305) 0.546 12.938 ( 0.658 1.104 0.855) 1.544 12.949 ( -0.083 0.209 -0.056) 0.232 13.381 ( -2.367 3.535 3.302) 5.385 13.426 ( 1.041 2.421 0.638) 2.712 13.534 ( -1.020 -2.142 1.260) 2.687 13.646 ( -0.359 -9.020 -6.705) 11.244 13.828 ( 1.192 1.991 -0.577) 2.391 13.871 ( 0.902 -1.781 -4.105) 4.565 14.139 ( -0.873 0.233 -0.133) 0.913 14.150 ( 0.975 -0.650 -0.950) 1.508 17.517 ( 0.520 3.618 3.619) 5.144 17.551 ( 0.523 0.643 0.657) 1.058 23.385 ( 0.111 2.058 1.334) 2.456 23.416 ( 0.396 -0.574 -1.416) 1.578 25.041 ( 0.413 0.288 0.678) 0.844 25.045 ( -0.198 -0.061 0.323) 0.384 26.358 ( -0.623 0.369 1.416) 1.590 26.373 ( 0.773 -0.985 0.825) 1.499 26.427 ( 1.054 0.837 -1.600) 2.091 26.441 ( 0.712 -0.491 -2.142) 2.309 26.754 ( -2.177 2.367 1.823) 3.697 26.776 ( 0.416 0.731 0.065) 0.843 27.086 ( -0.570 -2.324 -1.705) 2.939 27.093 ( -0.453 -2.744 -2.156) 3.519 28.014 ( 0.172 2.425 3.906) 4.601 28.068 ( -0.140 -2.491 -0.787) 2.616 ======================= Grid point 109 (62/69) ======================= q-point: ( 0.11 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 7.851 2.357 0.287) 8.202 1.171 ( 10.593 -5.685 4.000) 12.670 1.329 ( 0.644 7.718 7.198) 10.574 1.371 ( 0.211 5.256 1.913) 5.597 1.526 ( 3.432 5.749 -6.225) 9.143 1.619 ( -0.839 -5.669 1.056) 5.827 1.621 ( 6.999 -2.123 -0.442) 7.328 1.670 ( 1.875 -4.012 -4.588) 6.377 1.832 ( -1.858 -0.422 4.215) 4.626 1.841 ( -0.477 -1.399 -0.421) 1.537 1.946 ( -2.135 3.819 -0.921) 4.471 1.996 ( -2.309 -0.191 -2.489) 3.400 2.054 ( -0.183 -0.900 1.851) 2.066 2.068 ( -2.283 -1.400 0.196) 2.685 2.137 ( 5.099 1.923 0.679) 5.492 2.177 ( 5.832 -1.681 -1.045) 6.158 2.279 ( 2.665 -0.560 0.416) 2.754 2.349 ( 4.772 -5.389 -1.412) 7.336 2.491 ( -0.266 2.826 -0.518) 2.885 2.514 ( 0.505 1.092 -0.873) 1.487 2.563 ( 0.892 -3.222 0.630) 3.402 2.595 ( 0.556 -4.089 0.484) 4.155 2.686 ( -6.063 2.682 0.622) 6.658 2.734 ( -3.714 -1.175 0.562) 3.936 2.788 ( -1.677 4.777 -0.288) 5.071 2.852 ( 0.561 -1.102 1.727) 2.124 2.938 ( -0.244 3.734 -0.007) 3.742 2.971 ( -2.510 1.243 0.124) 2.803 2.998 ( 0.371 1.318 -1.384) 1.947 3.063 ( 0.569 -4.478 -4.303) 6.236 3.128 ( 0.899 1.408 0.011) 1.671 3.186 ( 0.629 0.007 -0.396) 0.743 3.212 ( -0.513 3.133 0.548) 3.222 3.289 ( 1.498 -0.601 2.221) 2.746 3.397 ( -1.826 3.188 2.076) 4.220 3.472 ( 1.300 -3.012 1.190) 3.490 3.529 ( 3.034 -0.582 -0.527) 3.134 3.534 ( 2.753 -0.748 -1.149) 3.075 3.850 ( -0.588 3.268 -1.282) 3.559 3.874 ( 0.579 1.174 -0.733) 1.500 4.168 ( -1.697 -5.045 1.549) 5.543 4.177 ( -1.124 -5.646 -2.029) 6.104 4.315 ( -1.022 1.910 1.317) 2.535 4.347 ( 1.172 -0.921 -0.248) 1.511 4.717 ( -2.346 0.564 -0.587) 2.483 4.754 ( -1.486 -2.706 -0.533) 3.133 4.791 ( 1.273 1.984 1.193) 2.642 4.858 ( 2.957 -3.678 3.110) 5.652 5.183 ( -5.649 6.860 0.254) 8.890 5.266 ( -0.874 -0.762 -3.651) 3.831 5.619 ( -1.024 -1.363 0.506) 1.778 5.629 ( -0.232 -1.969 0.198) 1.993 5.955 ( -5.333 2.967 -2.258) 6.507 6.010 ( -2.899 -2.043 3.360) 4.885 8.258 ( 2.428 1.546 -0.057) 2.879 8.322 ( 5.562 -3.772 0.524) 6.741 8.753 ( -0.149 0.230 0.231) 0.358 8.778 ( 0.789 -1.465 -0.091) 1.667 8.900 ( -4.598 3.298 0.030) 5.658 8.920 ( -3.234 1.855 0.143) 3.731 9.965 ( 2.764 1.272 0.063) 3.043 10.004 ( 5.037 -1.944 0.275) 5.406 10.346 ( -0.713 1.612 -0.387) 1.805 10.380 ( 1.129 -1.121 -0.500) 1.668 12.943 ( 0.301 1.380 -0.625) 1.545 12.963 ( 1.288 -0.304 -0.214) 1.341 13.351 ( -4.417 4.316 1.920) 6.467 13.424 ( -2.000 0.413 -0.081) 2.043 13.560 ( 0.696 -3.642 1.559) 4.022 13.608 ( 1.640 -5.365 0.351) 5.621 13.846 ( 1.563 0.801 -3.163) 3.618 13.869 ( 3.152 -1.171 0.498) 3.399 14.102 ( -3.944 0.940 0.387) 4.073 14.128 ( -2.357 -1.360 -0.293) 2.736 17.515 ( -3.198 2.434 -1.782) 4.397 17.522 ( -2.964 1.818 -0.002) 3.477 23.381 ( -1.672 1.552 -0.250) 2.295 23.396 ( -1.115 0.264 -0.477) 1.241 25.039 ( -0.143 0.942 -0.252) 0.985 25.058 ( 0.802 -0.728 -0.078) 1.086 26.379 ( 0.718 0.690 0.295) 1.038 26.398 ( 1.557 -0.636 -0.273) 1.704 26.455 ( 4.841 1.107 -1.140) 5.095 26.488 ( 8.055 -1.638 -1.480) 8.352 26.744 ( -1.763 2.709 1.837) 3.718 26.784 ( 0.173 -0.406 0.408) 0.601 27.077 ( 1.265 -0.229 0.637) 1.434 27.124 ( 3.731 -3.857 1.234) 5.507 27.992 ( -6.260 0.276 -2.364) 6.697 28.002 ( -5.954 -0.473 2.041) 6.312 ======================= Grid point 110 (63/69) ======================= q-point: ( 0.22 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 6.828 3.034 1.979) 7.730 1.283 ( 2.998 -1.356 0.671) 3.358 1.430 ( 4.096 8.135 -0.306) 9.113 1.465 ( 6.427 7.140 -5.462) 11.051 1.564 ( 0.299 -3.416 -5.670) 6.626 1.611 ( 1.301 -2.483 -7.782) 8.271 1.630 ( 10.589 -1.456 5.654) 12.092 1.721 ( 7.050 -4.509 -3.858) 9.215 1.864 ( 2.254 1.173 5.277) 5.857 1.886 ( 0.886 -0.057 2.428) 2.586 1.941 ( -0.178 -0.930 2.447) 2.624 1.977 ( 1.824 5.561 2.874) 6.520 2.020 ( -2.277 -4.224 0.072) 4.799 2.088 ( 2.067 -4.398 2.461) 5.447 2.203 ( 0.767 1.758 1.875) 2.682 2.232 ( 1.143 0.222 0.252) 1.191 2.371 ( 6.775 3.733 0.088) 7.736 2.433 ( 2.704 0.133 -0.266) 2.720 2.487 ( 0.480 1.551 0.689) 1.764 2.504 ( -0.540 -0.753 -0.416) 1.016 2.547 ( -5.384 1.517 0.017) 5.594 2.568 ( -0.996 -5.819 -2.244) 6.315 2.626 ( -1.110 -3.281 -0.361) 3.482 2.655 ( -4.339 -5.699 2.748) 7.672 2.760 ( -2.392 2.845 0.560) 3.759 2.824 ( -3.031 0.482 -2.925) 4.239 2.885 ( -2.680 2.279 -3.563) 5.007 2.952 ( 1.370 0.740 -2.089) 2.605 2.987 ( -0.759 -0.209 -2.489) 2.610 3.045 ( 3.104 -1.658 -0.206) 3.525 3.143 ( -0.833 -0.756 -0.633) 1.290 3.162 ( 3.383 -0.892 -0.800) 3.589 3.275 ( -0.128 5.044 3.983) 6.428 3.332 ( 1.855 1.599 1.548) 2.898 3.424 ( 0.264 4.285 3.202) 5.356 3.500 ( 0.076 -2.269 -0.870) 2.431 3.557 ( 3.607 0.026 -1.083) 3.767 3.576 ( 2.663 -0.606 -1.668) 3.201 3.822 ( -0.153 3.856 -1.859) 4.284 3.877 ( 0.983 -0.502 -0.736) 1.327 4.126 ( -2.914 -3.379 -0.983) 4.569 4.153 ( -2.578 -5.200 1.310) 5.950 4.307 ( -1.582 2.432 0.967) 3.058 4.352 ( 0.093 -1.127 -0.996) 1.507 4.670 ( -3.619 1.650 0.730) 4.044 4.720 ( -2.683 -2.363 0.633) 3.631 4.806 ( 1.098 2.763 -2.581) 3.937 4.909 ( 1.199 -6.353 -2.293) 6.859 5.123 ( -3.156 6.503 4.624) 8.581 5.216 ( -2.969 -1.750 2.860) 4.478 5.603 ( -1.575 0.509 0.642) 1.776 5.625 ( -0.173 -1.498 -0.084) 1.510 5.866 ( -3.717 4.822 0.294) 6.096 5.994 ( -4.698 -6.463 4.675) 9.258 8.290 ( 1.033 4.281 -2.388) 5.010 8.384 ( 2.218 -3.576 -2.966) 5.148 8.723 ( -1.603 4.674 -1.038) 5.049 8.800 ( 1.185 0.343 2.393) 2.692 8.846 ( -3.806 -1.778 2.072) 4.685 8.887 ( 1.513 -2.136 -1.347) 2.944 10.037 ( 3.844 3.043 2.143) 5.351 10.104 ( 5.719 -2.416 0.898) 6.273 10.334 ( -0.074 1.376 -0.317) 1.414 10.384 ( 0.805 -2.510 -1.352) 2.962 12.943 ( 0.897 1.576 -1.202) 2.176 12.978 ( 1.588 -1.377 -0.799) 2.249 13.295 ( -4.546 4.408 1.455) 6.497 13.370 ( -3.155 -1.382 -1.082) 3.610 13.601 ( 2.618 0.857 1.306) 3.049 13.667 ( 1.518 -4.756 2.960) 5.804 13.813 ( -1.021 4.817 -3.848) 6.249 13.931 ( 1.165 -5.218 -0.945) 5.429 14.043 ( -3.159 2.487 3.477) 5.315 14.097 ( -2.150 -2.476 3.429) 4.744 17.417 ( -3.612 2.778 -3.743) 5.897 17.450 ( -4.024 -0.123 -1.860) 4.435 23.339 ( -1.997 2.027 -1.303) 3.130 23.359 ( -2.609 0.406 -0.600) 2.708 25.037 ( 0.394 1.269 -0.392) 1.385 25.066 ( 0.676 -1.268 -0.617) 1.564 26.389 ( 0.844 1.103 0.324) 1.426 26.425 ( 1.092 -2.187 1.050) 2.660 26.556 ( 8.788 3.378 -1.942) 9.613 26.635 ( 10.781 -3.458 -1.422) 11.411 26.739 ( -1.446 2.896 1.855) 3.730 26.797 ( 0.300 -1.824 1.687) 2.503 27.134 ( 3.304 2.789 2.018) 4.771 27.225 ( 4.992 -4.503 2.785) 7.277 27.819 ( -9.691 2.315 -3.898) 10.699 27.880 ( -9.788 -2.875 -0.075) 10.202 ======================= Grid point 111 (64/69) ======================= q-point: ( 0.33 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 0.532 0.698 -6.376) 6.436 1.324 ( -1.713 -2.048 1.225) 2.937 1.395 ( 5.399 6.971 -10.478) 13.695 1.454 ( 4.982 0.929 -3.630) 6.234 1.572 ( 4.520 1.350 -6.930) 8.384 1.637 ( 6.262 0.571 -0.548) 6.312 1.748 ( -0.816 -1.209 -0.083) 1.461 1.794 ( 6.116 -2.817 -0.724) 6.772 1.873 ( -3.256 -0.942 -2.327) 4.111 1.908 ( -2.056 -0.788 -1.154) 2.485 2.000 ( 4.634 1.933 2.955) 5.826 2.096 ( 4.655 -4.057 4.726) 7.776 2.128 ( 5.727 0.919 4.299) 7.220 2.173 ( 3.500 -0.528 3.206) 4.776 2.240 ( 0.235 -0.146 4.751) 4.759 2.256 ( -0.553 -0.966 3.650) 3.816 2.339 ( -5.028 3.946 -1.047) 6.477 2.414 ( -3.789 0.699 -1.190) 4.033 2.466 ( -0.348 1.474 -0.502) 1.596 2.496 ( -0.510 -0.495 -0.113) 0.720 2.522 ( -0.027 0.581 1.539) 1.645 2.575 ( 0.992 0.585 1.218) 1.676 2.612 ( -1.338 -2.617 6.079) 6.752 2.683 ( 1.343 -3.237 -1.678) 3.886 2.737 ( 1.212 3.078 -1.208) 3.522 2.772 ( 0.411 -3.589 -0.014) 3.613 2.803 ( -0.721 1.755 -2.067) 2.805 2.918 ( -1.109 -2.820 -0.763) 3.125 2.994 ( 2.013 -0.964 -1.262) 2.564 3.041 ( -0.726 -4.038 -3.408) 5.333 3.172 ( 1.358 3.158 2.543) 4.276 3.215 ( 0.841 -0.045 2.118) 2.279 3.279 ( -1.538 6.161 0.984) 6.426 3.371 ( 0.493 1.425 -1.187) 1.919 3.442 ( 0.899 2.817 -1.277) 3.221 3.471 ( -0.832 -1.888 -1.976) 2.857 3.575 ( 1.619 2.339 -4.085) 4.978 3.606 ( 3.764 -0.357 -2.024) 4.289 3.821 ( 1.722 2.882 0.242) 3.366 3.890 ( 1.484 -1.244 -0.606) 2.030 4.063 ( -3.183 -1.782 -0.832) 3.741 4.108 ( -3.381 -3.980 -0.627) 5.260 4.284 ( -2.018 2.189 0.278) 2.990 4.328 ( -1.123 -0.835 -1.438) 2.007 4.624 ( -3.059 2.669 1.602) 4.364 4.680 ( -3.541 -1.137 1.586) 4.043 4.797 ( 1.498 1.054 -2.153) 2.826 4.862 ( -0.123 -4.587 -4.939) 6.742 5.184 ( 1.642 2.648 6.769) 7.452 5.243 ( -1.958 -2.202 7.504) 8.062 5.587 ( -1.495 1.899 0.973) 2.605 5.620 ( -0.383 -1.210 -0.185) 1.283 5.830 ( -2.278 4.149 1.545) 4.979 5.961 ( -5.395 -7.237 3.592) 9.715 8.226 ( -1.438 3.758 -5.632) 6.922 8.317 ( -2.240 -4.459 -6.884) 8.502 8.716 ( -0.669 7.311 1.517) 7.497 8.833 ( -0.476 0.433 1.904) 2.010 8.859 ( 1.876 -1.236 1.331) 2.611 8.917 ( 2.091 -2.917 1.042) 3.738 10.125 ( 2.692 3.230 3.213) 5.292 10.199 ( 4.241 -2.602 0.857) 5.049 10.338 ( 0.381 0.262 0.423) 0.626 10.381 ( 1.117 -2.773 -1.523) 3.355 12.942 ( 0.848 2.576 -1.386) 3.045 12.994 ( 1.276 -1.857 -1.086) 2.501 13.245 ( -3.286 3.663 1.511) 5.148 13.314 ( -1.802 -2.304 -0.939) 3.072 13.659 ( 1.223 2.453 0.895) 2.884 13.694 ( 1.013 -0.692 -3.710) 3.908 13.746 ( -2.017 2.041 1.546) 3.260 13.845 ( -5.093 -4.608 -3.915) 7.905 14.104 ( 1.561 2.210 5.496) 6.126 14.155 ( 0.478 -2.108 6.855) 7.188 17.333 ( -1.550 1.861 -2.933) 3.804 17.367 ( -2.560 -1.177 -2.338) 3.661 23.292 ( -1.567 1.799 -1.483) 2.809 23.305 ( -2.310 0.774 -1.259) 2.742 25.042 ( 0.521 1.005 -0.149) 1.142 25.067 ( 0.463 -1.179 -0.770) 1.483 26.421 ( 1.545 0.788 1.633) 2.382 26.460 ( 0.703 -2.916 2.252) 3.751 26.667 ( 7.516 4.631 -3.445) 9.477 26.728 ( 0.398 1.666 -1.007) 1.987 26.787 ( 4.721 -1.173 3.468) 5.974 26.854 ( 3.889 -4.252 3.490) 6.737 27.212 ( 3.890 4.906 0.090) 6.262 27.333 ( 4.984 -5.192 0.869) 7.250 27.603 ( -10.311 4.063 -3.780) 11.709 27.702 ( -10.309 -4.346 -1.139) 11.246 ======================= Grid point 112 (65/69) ======================= q-point: ( 0.44 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 0.221 -0.085 -7.926) 7.929 1.215 ( -3.198 -1.263 -6.015) 6.928 1.461 ( 6.619 5.165 -1.432) 8.517 1.514 ( 3.134 -0.024 -0.389) 3.158 1.584 ( 4.709 0.579 -4.849) 6.784 1.675 ( -3.573 -3.018 -2.286) 5.206 1.708 ( -0.945 0.818 -0.576) 1.376 1.730 ( -4.548 -0.645 -3.716) 5.908 1.881 ( 5.871 -3.486 -0.579) 6.853 1.914 ( 0.285 -3.312 1.995) 3.877 2.042 ( -0.443 2.258 -1.071) 2.538 2.104 ( -1.545 -2.780 -3.812) 4.964 2.168 ( -2.027 3.192 1.730) 4.158 2.205 ( -1.808 2.092 0.051) 2.765 2.281 ( -0.121 -2.047 1.323) 2.441 2.290 ( -2.350 -2.938 4.057) 5.533 2.335 ( -0.373 -2.703 3.839) 4.710 2.362 ( -0.889 -2.329 0.907) 2.653 2.507 ( 1.576 4.932 4.975) 7.180 2.542 ( 0.810 0.929 1.338) 1.819 2.561 ( -1.113 0.050 0.845) 1.398 2.602 ( 5.287 1.447 4.290) 6.961 2.671 ( -0.412 0.270 2.254) 2.307 2.681 ( 0.617 -0.400 1.776) 1.922 2.770 ( -0.007 -0.357 1.115) 1.171 2.799 ( 2.449 0.008 2.095) 3.223 2.817 ( 5.814 2.645 -2.004) 6.695 2.916 ( 0.088 -3.155 -3.066) 4.400 2.984 ( -0.467 0.058 -1.973) 2.028 3.032 ( 2.437 -2.760 0.210) 3.688 3.189 ( -3.127 0.352 2.527) 4.036 3.211 ( -1.372 -0.944 2.329) 2.863 3.271 ( -3.388 7.105 2.007) 8.123 3.330 ( -0.678 2.567 -4.186) 4.957 3.395 ( -0.830 2.333 -4.683) 5.297 3.459 ( 2.016 -0.688 -2.742) 3.473 3.556 ( 0.586 3.463 -2.184) 4.136 3.622 ( 2.934 -1.267 -4.935) 5.880 3.882 ( 3.247 1.070 2.286) 4.113 3.915 ( 1.658 -0.490 0.886) 1.943 4.006 ( -2.332 -1.021 -1.188) 2.809 4.035 ( -3.336 -2.572 -2.025) 4.674 4.258 ( -1.058 1.459 0.122) 1.807 4.289 ( -1.106 -0.599 -1.548) 1.995 4.610 ( -1.063 1.619 1.616) 2.522 4.642 ( -2.407 -0.695 0.626) 2.582 4.797 ( 0.570 0.661 -0.952) 1.292 4.819 ( 0.104 -1.381 -2.456) 2.819 5.306 ( -1.585 -0.891 7.562) 7.778 5.318 ( 5.384 -2.291 4.791) 7.562 5.574 ( -1.172 1.561 0.623) 2.049 5.604 ( -0.932 -1.126 -0.712) 1.626 5.828 ( -0.544 2.505 2.456) 3.550 5.905 ( -4.206 -4.351 1.112) 6.153 8.155 ( 0.641 0.516 -4.695) 4.766 8.198 ( -1.825 -3.620 -6.318) 7.507 8.722 ( -0.852 6.550 1.925) 6.880 8.813 ( -0.621 -1.393 -2.752) 3.147 8.921 ( 1.181 2.626 3.548) 4.569 8.957 ( 0.339 -0.589 1.755) 1.882 10.194 ( 1.040 1.666 3.182) 3.740 10.252 ( 1.293 -3.221 0.048) 3.471 10.352 ( 0.373 0.535 0.842) 1.065 10.386 ( 1.077 -2.243 -1.197) 2.761 12.942 ( 0.628 2.955 -0.471) 3.057 12.986 ( 0.020 -0.650 -1.978) 2.082 13.230 ( -1.197 2.989 2.340) 3.980 13.291 ( -0.441 -2.162 -0.474) 2.257 13.607 ( -0.869 2.134 -2.608) 3.480 13.688 ( -2.805 -5.161 -3.081) 6.633 13.744 ( -0.915 0.999 0.720) 1.534 13.768 ( 1.868 -1.402 -0.205) 2.344 14.193 ( 1.377 2.556 4.965) 5.752 14.228 ( 0.059 -0.372 4.239) 4.256 17.298 ( 0.233 0.524 -1.460) 1.569 17.316 ( -0.769 -0.995 -1.812) 2.205 23.259 ( -0.444 1.369 -1.155) 1.845 23.263 ( -0.842 1.013 -1.202) 1.784 25.048 ( 0.199 0.573 0.140) 0.623 25.063 ( 0.165 -0.769 -0.702) 1.054 26.470 ( 1.322 0.031 2.316) 2.667 26.495 ( 0.143 -2.527 2.174) 3.337 26.703 ( -0.281 2.299 -0.756) 2.436 26.713 ( 1.579 3.045 -3.154) 4.660 26.906 ( 2.149 0.605 7.232) 7.568 26.985 ( 5.263 -5.093 4.519) 8.606 27.228 ( 1.343 4.804 -6.517) 8.207 27.338 ( -1.442 -5.167 -9.126) 10.586 27.483 ( -0.539 3.201 3.602) 4.849 27.548 ( -7.313 -2.484 1.471) 7.862 ======================= Grid point 113 (66/69) ======================= q-point: (-0.44 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -4.155 -0.207 -1.128) 4.310 1.147 ( 0.125 -3.215 -0.992) 3.367 1.481 ( -7.162 6.088 -2.833) 9.818 1.536 ( 1.895 -0.354 -0.346) 1.958 1.538 ( -2.106 -0.189 -0.416) 2.155 1.605 ( -0.087 -3.740 -0.038) 3.742 1.679 ( -0.305 1.349 0.885) 1.642 1.724 ( 2.139 -2.158 -0.591) 3.095 1.880 ( -5.608 1.153 -0.165) 5.727 1.957 ( 2.596 -4.330 -1.716) 5.332 2.026 ( -1.470 -1.165 0.915) 2.087 2.053 ( 0.286 -3.079 -0.114) 3.094 2.182 ( 1.091 2.972 -0.064) 3.167 2.183 ( 2.077 1.462 1.467) 2.933 2.283 ( 0.222 -3.004 1.224) 3.252 2.316 ( 3.140 -5.494 0.178) 6.331 2.368 ( -0.996 0.093 0.971) 1.394 2.376 ( -0.332 -0.461 1.489) 1.594 2.524 ( -0.481 4.464 1.483) 4.728 2.575 ( -1.876 1.840 0.303) 2.645 2.584 ( -0.006 0.608 0.116) 0.619 2.645 ( 2.359 4.362 -0.080) 4.959 2.681 ( -1.668 -0.851 1.884) 2.657 2.716 ( -2.460 -1.157 -0.421) 2.751 2.789 ( -4.250 -0.806 -0.610) 4.368 2.800 ( -0.404 -3.507 2.885) 4.559 2.851 ( 2.025 1.782 -2.757) 3.857 2.894 ( 2.919 -1.784 -3.465) 4.869 2.982 ( -4.923 4.418 -2.404) 7.038 3.038 ( 4.085 -0.556 0.124) 4.124 3.170 ( -3.232 5.057 3.591) 6.994 3.228 ( -1.772 1.769 4.181) 4.873 3.245 ( -0.121 -0.725 -1.389) 1.571 3.289 ( 2.432 -1.841 1.488) 3.394 3.387 ( -0.438 4.079 1.538) 4.381 3.422 ( -0.810 1.452 -5.212) 5.471 3.541 ( -0.292 1.377 -0.173) 1.418 3.598 ( 1.728 -2.593 -4.932) 5.834 3.933 ( -2.203 1.143 -1.155) 2.738 3.942 ( -0.986 0.493 -0.157) 1.114 3.975 ( 0.708 -1.293 0.436) 1.538 3.991 ( 2.923 -2.584 1.357) 4.131 4.252 ( -0.250 1.606 0.649) 1.750 4.279 ( 1.831 -0.626 -0.910) 2.139 4.622 ( 0.301 0.941 0.679) 1.199 4.641 ( 2.455 -0.699 0.414) 2.586 4.794 ( -0.731 0.024 -0.470) 0.869 4.796 ( -0.419 0.080 -0.278) 0.510 5.338 ( -2.971 2.116 3.205) 4.856 5.416 ( 2.939 -4.416 -1.945) 5.650 5.578 ( 0.311 0.116 1.032) 1.084 5.589 ( 0.941 -0.918 -0.179) 1.327 5.852 ( -1.276 1.447 1.421) 2.396 5.899 ( 4.221 -2.430 1.387) 5.064 8.126 ( 0.010 -1.171 -2.570) 2.824 8.146 ( 2.769 -2.922 -2.113) 4.547 8.737 ( -1.214 4.017 3.545) 5.494 8.768 ( -0.884 1.305 -2.213) 2.717 8.962 ( -1.046 1.789 0.339) 2.100 8.963 ( -0.082 1.519 1.365) 2.044 10.229 ( -0.936 -0.597 2.249) 2.508 10.243 ( -1.273 -1.902 -1.116) 2.546 10.363 ( -0.466 0.077 0.786) 0.917 10.380 ( 0.087 -1.372 -1.532) 2.058 12.952 ( 0.139 1.900 0.390) 1.945 12.960 ( -0.050 1.278 -1.486) 1.960 13.251 ( -0.349 1.731 2.633) 3.170 13.274 ( -0.249 0.038 -1.125) 1.153 13.601 ( -2.021 -2.034 -1.798) 3.384 13.622 ( 2.712 -3.741 2.134) 5.089 13.753 ( 0.034 1.860 0.259) 1.878 13.797 ( 3.352 -2.182 -2.572) 4.755 14.243 ( -0.971 2.174 1.199) 2.666 14.258 ( 0.732 0.966 1.237) 1.732 17.289 ( -0.182 0.307 -0.626) 0.720 17.306 ( 1.540 -1.097 -1.059) 2.167 23.250 ( 0.599 1.347 -0.484) 1.552 23.255 ( 1.144 0.986 -0.568) 1.614 25.051 ( -0.240 0.123 0.384) 0.469 25.055 ( -0.247 -0.294 -0.535) 0.659 26.499 ( -1.012 -0.708 0.685) 1.412 26.510 ( 0.128 -1.362 0.795) 1.582 26.665 ( -3.124 2.505 0.101) 4.006 26.703 ( -0.340 0.749 -0.898) 1.218 26.982 ( -4.589 3.265 4.841) 7.427 27.112 ( 2.549 -7.325 1.802) 7.962 27.143 ( -0.578 2.251 -2.317) 3.281 27.190 ( -1.968 -2.452 -5.804) 6.601 27.506 ( -0.075 3.820 1.661) 4.167 27.568 ( 5.970 -1.937 0.162) 6.278 ======================= Grid point 114 (67/69) ======================= q-point: (-0.33 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -3.403 5.328 8.564) 10.644 1.184 ( 0.557 -2.547 5.882) 6.434 1.344 ( -7.978 10.418 1.224) 13.178 1.479 ( -3.841 -0.516 0.260) 3.885 1.518 ( -0.778 -3.497 -3.977) 5.352 1.575 ( -4.364 -4.946 1.689) 6.809 1.730 ( -3.673 -5.261 3.490) 7.304 1.743 ( 1.441 -4.285 3.192) 5.534 1.825 ( 1.929 5.106 -0.562) 5.487 1.921 ( -1.070 -2.226 -1.900) 3.116 2.033 ( -1.803 -1.677 -0.775) 2.581 2.049 ( -2.602 -2.702 3.432) 5.084 2.219 ( 1.386 1.944 -1.704) 2.933 2.247 ( 1.939 5.710 -0.547) 6.055 2.306 ( 1.068 -2.029 -0.455) 2.337 2.324 ( -3.808 0.944 -1.681) 4.269 2.342 ( -3.567 -1.506 -1.050) 4.012 2.391 ( 3.494 -4.781 1.876) 6.212 2.479 ( -2.866 5.072 -2.144) 6.207 2.538 ( -0.088 3.184 -1.709) 3.615 2.579 ( -3.790 1.218 -2.524) 4.713 2.615 ( -5.243 2.403 0.219) 5.772 2.638 ( 3.880 3.664 -2.304) 5.812 2.684 ( 1.253 3.035 -1.171) 3.486 2.738 ( 0.833 -0.003 -0.345) 0.902 2.804 ( -2.476 -2.747 -2.306) 4.358 2.819 ( 1.120 -3.272 -3.892) 5.206 2.905 ( -3.528 -5.305 5.515) 8.427 2.923 ( 1.581 2.603 0.113) 3.048 3.034 ( -0.902 -4.834 -3.621) 6.106 3.174 ( -4.160 3.448 4.638) 7.121 3.246 ( 1.335 -1.059 0.631) 1.817 3.295 ( -2.041 1.565 0.173) 2.578 3.340 ( 0.957 -0.024 5.913) 5.990 3.356 ( 2.244 3.006 -2.617) 4.574 3.406 ( -0.376 0.516 3.589) 3.646 3.543 ( -0.177 1.830 0.109) 1.842 3.578 ( 1.575 -1.506 -2.554) 3.357 3.861 ( -2.269 1.377 -2.632) 3.738 3.905 ( -1.087 -1.587 -1.467) 2.419 4.031 ( 2.655 -0.070 2.396) 3.577 4.074 ( 3.668 -3.216 2.384) 5.429 4.272 ( 1.115 2.182 1.228) 2.741 4.308 ( 1.866 -0.802 -0.081) 2.033 4.645 ( 1.945 2.998 -0.291) 3.586 4.699 ( 3.324 -1.305 -0.230) 3.578 4.775 ( -1.367 -0.591 0.328) 1.525 4.791 ( -0.714 -2.339 1.442) 2.839 5.292 ( -1.798 4.983 -2.478) 5.848 5.392 ( 0.963 -3.953 -5.534) 6.869 5.598 ( 1.069 0.760 0.531) 1.415 5.616 ( 1.001 -0.961 0.096) 1.391 5.860 ( 1.775 5.352 -0.510) 5.662 6.017 ( 7.686 -7.809 -0.356) 10.963 8.136 ( 2.125 1.656 1.443) 3.056 8.204 ( 3.818 -4.476 2.297) 6.316 8.736 ( -0.828 4.422 0.103) 4.500 8.767 ( -1.426 1.154 4.487) 4.847 8.919 ( -2.552 2.374 -2.198) 4.121 8.957 ( -1.152 -1.106 -1.317) 2.070 10.187 ( -3.074 0.262 -1.818) 3.581 10.210 ( -3.451 -1.653 0.121) 3.828 10.355 ( -0.968 -0.726 0.487) 1.305 10.359 ( -0.548 -1.107 -1.247) 1.755 12.933 ( -0.572 2.735 -0.825) 2.913 12.970 ( -0.100 -0.307 0.933) 0.987 13.265 ( 0.813 1.034 0.404) 1.376 13.277 ( 0.016 -0.032 1.449) 1.449 13.604 ( 1.925 3.270 2.254) 4.413 13.697 ( 0.835 -3.062 0.693) 3.249 13.772 ( 3.937 -0.624 1.056) 4.124 13.816 ( 3.605 -2.994 -3.639) 5.933 14.205 ( -1.879 3.806 -3.072) 5.239 14.262 ( 0.134 -1.130 -2.270) 2.539 17.290 ( 0.661 1.567 0.590) 1.800 17.331 ( 2.225 -2.049 0.304) 3.040 23.269 ( 1.732 1.903 0.331) 2.594 23.285 ( 2.702 0.678 0.264) 2.798 25.042 ( -0.733 0.255 -0.241) 0.813 25.050 ( -0.578 -0.434 0.618) 0.951 26.465 ( -1.786 0.786 -1.884) 2.713 26.501 ( -1.748 -1.847 -0.422) 2.578 26.606 ( -4.710 2.214 0.763) 5.260 26.675 ( -4.649 -2.131 2.322) 5.616 26.882 ( -4.565 4.330 -3.733) 7.316 26.989 ( -5.186 -4.126 -6.655) 9.392 27.172 ( 0.528 1.877 2.703) 3.332 27.256 ( -0.476 -5.651 6.641) 8.733 27.567 ( 6.797 6.838 0.207) 9.643 27.685 ( 8.334 -3.925 0.099) 9.213 ======================= Grid point 115 (68/69) ======================= q-point: (-0.22 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -2.910 11.644 12.505) 17.333 1.234 ( -6.896 9.246 3.549) 12.068 1.289 ( 0.091 0.306 8.046) 8.052 1.434 ( -4.122 -2.621 3.514) 6.018 1.455 ( 0.884 -5.362 -6.578) 8.532 1.512 ( -5.593 -5.615 3.291) 8.581 1.675 ( -4.557 1.087 -0.253) 4.692 1.753 ( -2.934 -4.341 -2.665) 5.878 1.895 ( 0.321 -0.584 -0.117) 0.676 1.908 ( 0.724 -0.696 3.418) 3.562 1.944 ( -4.132 4.941 -0.056) 6.441 2.016 ( -4.840 0.607 1.517) 5.108 2.085 ( -5.288 -0.129 -7.423) 9.114 2.145 ( -4.876 -2.464 -3.893) 6.708 2.253 ( -3.794 4.310 -0.658) 5.779 2.301 ( -0.361 0.612 -3.914) 3.978 2.342 ( 0.102 1.910 2.012) 2.776 2.428 ( -1.063 1.276 0.951) 1.914 2.474 ( 1.609 0.667 -0.068) 1.743 2.517 ( 1.378 -4.506 0.362) 4.726 2.556 ( 1.135 -0.294 -3.346) 3.546 2.565 ( -1.328 0.334 0.154) 1.378 2.648 ( 0.504 1.258 -3.458) 3.714 2.719 ( 4.550 0.073 -0.898) 4.638 2.753 ( 3.032 4.839 1.697) 5.957 2.776 ( -0.215 -4.348 -2.495) 5.018 2.816 ( 2.808 -2.045 2.436) 4.243 2.917 ( -0.751 -5.927 1.207) 6.095 2.944 ( -0.572 1.362 2.586) 2.978 3.010 ( -2.184 -2.716 0.879) 3.595 3.118 ( -5.238 3.439 1.629) 6.474 3.186 ( -3.961 -2.316 -0.997) 4.695 3.317 ( 2.233 2.509 0.211) 3.365 3.348 ( -1.804 1.944 -0.439) 2.688 3.423 ( 1.787 2.336 4.330) 5.235 3.476 ( 0.253 -1.482 4.001) 4.274 3.527 ( -0.339 2.092 -2.029) 2.934 3.577 ( 1.431 -1.866 -2.517) 3.445 3.816 ( 0.028 2.637 -1.328) 2.952 3.878 ( -0.361 -2.080 -1.021) 2.345 4.106 ( 3.065 -0.847 1.872) 3.690 4.158 ( 3.567 -3.971 1.366) 5.510 4.307 ( 0.566 1.228 1.904) 2.335 4.331 ( 1.184 -1.035 -0.470) 1.642 4.680 ( 2.523 2.725 0.141) 3.716 4.731 ( 1.135 -0.362 -0.085) 1.194 4.755 ( -1.294 -0.739 0.839) 1.710 4.816 ( -0.300 -4.508 3.876) 5.953 5.248 ( 1.852 6.586 -5.203) 8.595 5.343 ( 1.648 -2.385 -6.265) 6.904 5.616 ( 0.279 0.055 0.476) 0.554 5.621 ( 0.227 -0.355 -0.473) 0.633 5.890 ( 3.122 7.961 -1.498) 8.682 6.109 ( 6.851 -10.584 -4.912) 13.531 8.214 ( 2.714 3.769 3.591) 5.871 8.300 ( 2.043 -3.765 3.899) 5.793 8.739 ( 0.714 6.039 0.259) 6.087 8.795 ( -2.448 0.335 4.432) 5.074 8.843 ( -2.718 0.614 -1.024) 2.969 8.901 ( -1.259 -4.539 -3.166) 5.675 10.102 ( -3.855 1.364 -2.960) 5.048 10.129 ( -5.009 -0.994 -1.150) 5.234 10.336 ( -0.824 -0.254 -0.290) 0.909 10.355 ( -0.110 -1.829 0.823) 2.009 12.921 ( -0.493 2.455 0.263) 2.518 12.966 ( -1.191 -1.346 0.311) 1.824 13.304 ( 2.104 1.348 1.097) 2.729 13.309 ( 1.296 0.663 3.279) 3.588 13.661 ( -1.383 2.588 -3.931) 4.905 13.682 ( 3.075 2.340 1.872) 4.294 13.828 ( 4.103 -1.864 -4.308) 6.234 13.888 ( 4.091 -4.559 2.775) 6.725 14.130 ( -0.896 3.888 -4.223) 5.810 14.210 ( -0.441 -3.230 -5.553) 6.439 17.334 ( 2.291 3.038 3.105) 4.911 17.393 ( 3.331 -2.156 2.527) 4.705 23.310 ( 2.160 2.691 0.992) 3.591 23.345 ( 3.650 0.001 0.559) 3.693 25.028 ( -0.786 0.763 0.239) 1.121 25.047 ( -0.809 -0.887 0.888) 1.493 26.411 ( -1.930 1.590 -1.568) 2.951 26.449 ( -3.622 -1.018 -0.443) 3.789 26.531 ( -4.267 0.441 -0.491) 4.318 26.589 ( -8.914 -3.613 2.414) 9.917 26.798 ( -0.852 3.562 -2.880) 4.659 26.853 ( -3.896 -0.865 -3.301) 5.180 27.177 ( -0.979 1.430 -1.259) 2.142 27.259 ( -3.803 -5.460 0.509) 6.673 27.730 ( 9.194 6.062 3.509) 11.558 27.847 ( 9.279 -4.417 2.303) 10.531 ======================= Grid point 116 (69/69) ======================= q-point: (-0.11 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -10.089 10.663 -0.091) 14.680 1.243 ( -6.320 12.747 7.330) 16.005 1.304 ( -5.001 -6.606 -5.915) 10.180 1.403 ( -1.096 3.521 4.331) 5.688 1.476 ( -0.921 -2.186 9.417) 9.711 1.515 ( -1.871 -7.468 4.912) 9.133 1.599 ( -0.375 -2.777 -7.725) 8.218 1.619 ( -1.512 -1.615 -0.821) 2.360 1.861 ( -2.465 0.550 -1.135) 2.769 1.888 ( -0.088 -0.678 -0.535) 0.868 1.955 ( -2.760 4.576 0.041) 5.344 2.000 ( 1.757 1.118 -3.131) 3.760 2.027 ( 1.513 0.893 5.162) 5.453 2.075 ( 0.642 -3.310 -0.539) 3.415 2.175 ( -4.716 4.412 -1.129) 6.556 2.230 ( -2.104 0.401 -5.416) 5.824 2.342 ( 1.177 -0.109 -3.637) 3.824 2.353 ( -4.942 0.093 -1.161) 5.078 2.470 ( -1.828 -3.395 0.316) 3.869 2.515 ( -0.019 0.434 -1.378) 1.445 2.554 ( 0.412 -3.863 -0.581) 3.929 2.578 ( 0.708 -3.118 2.451) 4.029 2.673 ( 2.681 2.796 0.895) 3.976 2.755 ( 2.572 -2.808 -1.425) 4.066 2.809 ( 2.570 1.977 -1.438) 3.548 2.846 ( 3.673 1.436 3.820) 5.490 2.886 ( -1.447 -0.432 0.341) 1.548 2.904 ( 0.293 2.668 3.597) 4.488 2.940 ( -2.226 -2.154 3.885) 4.969 2.997 ( -0.189 -3.431 2.853) 4.467 3.081 ( -2.241 2.972 3.108) 4.850 3.159 ( 0.243 -3.497 0.593) 3.555 3.288 ( -2.434 4.895 -3.006) 6.239 3.340 ( 0.597 1.248 -1.672) 2.171 3.463 ( -1.113 1.328 -0.584) 1.829 3.483 ( -1.320 -1.236 2.397) 3.003 3.489 ( -1.008 1.119 -2.226) 2.688 3.564 ( 0.758 -2.997 -3.285) 4.511 3.829 ( 1.752 3.406 0.148) 3.833 3.871 ( 0.458 -0.271 -0.428) 0.683 4.161 ( 1.606 -2.381 0.579) 2.930 4.213 ( 2.831 -5.494 -1.310) 6.318 4.324 ( -1.364 0.712 1.920) 2.461 4.333 ( 0.521 -1.092 -1.169) 1.683 4.707 ( 0.619 0.538 0.252) 0.858 4.744 ( 0.421 -2.412 0.267) 2.463 4.775 ( 0.419 2.184 2.463) 3.318 4.850 ( -2.048 -4.613 3.730) 6.276 5.233 ( 3.542 6.695 -4.477) 8.798 5.305 ( 2.585 0.240 -5.738) 6.298 5.617 ( -0.404 -0.566 0.612) 0.926 5.627 ( 0.324 -1.497 0.285) 1.558 5.931 ( 3.377 8.080 -0.374) 8.765 6.128 ( 3.879 -8.867 -6.754) 11.802 8.257 ( -0.953 2.809 0.472) 3.003 8.321 ( -2.801 -2.642 0.647) 3.904 8.743 ( 0.141 2.694 -0.905) 2.845 8.797 ( -0.980 -2.425 -1.009) 2.804 8.808 ( -2.004 5.168 6.684) 8.683 8.929 ( 4.514 -4.084 1.163) 6.197 10.005 ( -3.018 1.217 -3.067) 4.472 10.033 ( -4.178 -1.117 -2.010) 4.769 10.333 ( 0.279 1.046 0.696) 1.286 10.364 ( -0.084 -1.582 0.765) 1.760 12.923 ( -0.122 1.593 0.863) 1.816 12.952 ( -0.716 -0.844 0.441) 1.192 13.353 ( 0.666 2.648 3.036) 4.083 13.379 ( 2.192 1.301 2.662) 3.686 13.581 ( -2.106 2.947 -3.850) 5.286 13.711 ( 1.590 -6.553 -4.051) 7.867 13.832 ( 1.609 2.548 -3.263) 4.442 13.917 ( -0.862 -3.502 -2.256) 4.254 14.120 ( 3.312 1.017 -1.343) 3.716 14.153 ( 0.432 -2.054 -3.040) 3.694 17.431 ( 3.107 4.003 4.844) 7.010 17.489 ( 3.575 -1.189 3.168) 4.923 23.355 ( 1.537 2.950 1.247) 3.553 23.402 ( 2.673 -0.888 -0.368) 2.841 25.026 ( -0.060 0.871 0.741) 1.145 25.045 ( -0.692 -0.811 0.929) 1.414 26.371 ( -2.375 1.009 0.789) 2.699 26.389 ( -2.988 -0.419 0.207) 3.024 26.462 ( -3.384 -0.154 -0.908) 3.507 26.480 ( -3.724 -1.838 -0.850) 4.239 26.773 ( -0.317 1.945 -0.393) 2.010 26.782 ( -2.319 1.228 -0.348) 2.647 27.127 ( -0.964 -0.415 -3.520) 3.673 27.173 ( -4.183 -4.076 -2.617) 6.400 27.910 ( 6.055 4.613 4.550) 8.868 28.009 ( 6.420 -4.290 1.608) 7.887 =================== 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 3/20250 10.0 146.080 135.098 129.253 0.000 -1.464 0.000 3/20250 20.0 18.679 17.547 16.755 0.000 -0.342 0.000 3/20250 30.0 7.358 6.699 6.624 0.000 -0.126 0.000 3/20250 40.0 4.307 3.840 3.874 0.000 -0.052 0.000 3/20250 50.0 3.012 2.651 2.707 0.000 -0.026 0.000 3/20250 60.0 2.317 2.023 2.082 0.000 -0.015 0.000 3/20250 70.0 1.888 1.641 1.698 0.000 -0.010 0.000 3/20250 80.0 1.598 1.385 1.439 0.000 -0.006 0.000 3/20250 90.0 1.389 1.202 1.253 0.000 -0.004 0.000 3/20250 100.0 1.232 1.065 1.113 0.000 -0.003 0.000 3/20250 110.0 1.109 0.958 1.004 0.000 -0.002 0.000 3/20250 120.0 1.010 0.873 0.916 0.000 -0.001 0.000 3/20250 130.0 0.929 0.803 0.844 0.000 -0.000 0.000 3/20250 140.0 0.861 0.745 0.784 0.000 0.000 0.000 3/20250 150.0 0.803 0.696 0.733 0.000 0.001 0.000 3/20250 160.0 0.754 0.654 0.689 0.000 0.001 0.000 3/20250 170.0 0.711 0.617 0.651 0.000 0.002 0.000 3/20250 180.0 0.673 0.584 0.617 0.000 0.002 0.000 3/20250 190.0 0.639 0.555 0.587 0.000 0.002 0.000 3/20250 200.0 0.610 0.530 0.560 0.000 0.002 0.000 3/20250 210.0 0.583 0.506 0.536 0.000 0.002 0.000 3/20250 220.0 0.559 0.485 0.514 0.000 0.003 0.000 3/20250 230.0 0.537 0.466 0.494 0.000 0.003 0.000 3/20250 240.0 0.516 0.448 0.476 0.000 0.003 0.000 3/20250 250.0 0.498 0.432 0.459 0.000 0.003 0.000 3/20250 260.0 0.481 0.417 0.443 0.000 0.003 0.000 3/20250 270.0 0.466 0.403 0.429 0.000 0.003 0.000 3/20250 280.0 0.451 0.390 0.415 0.000 0.003 0.000 3/20250 290.0 0.438 0.378 0.402 0.000 0.003 0.000 3/20250 300.0 0.425 0.367 0.391 0.000 0.003 0.000 3/20250 310.0 0.413 0.356 0.380 0.000 0.003 0.000 3/20250 320.0 0.402 0.346 0.369 0.000 0.002 0.000 3/20250 330.0 0.392 0.337 0.359 0.000 0.002 0.000 3/20250 340.0 0.382 0.328 0.350 0.000 0.002 0.000 3/20250 350.0 0.372 0.320 0.341 0.000 0.002 0.000 3/20250 360.0 0.364 0.312 0.333 0.000 0.002 0.000 3/20250 370.0 0.355 0.304 0.325 0.000 0.002 0.000 3/20250 380.0 0.347 0.297 0.317 0.000 0.002 0.000 3/20250 390.0 0.340 0.290 0.310 0.000 0.002 0.000 3/20250 400.0 0.333 0.284 0.303 0.000 0.002 0.000 3/20250 410.0 0.326 0.278 0.297 0.000 0.002 0.000 3/20250 420.0 0.319 0.272 0.291 0.000 0.002 0.000 3/20250 430.0 0.313 0.266 0.285 0.000 0.002 0.000 3/20250 440.0 0.307 0.260 0.279 0.000 0.002 0.000 3/20250 450.0 0.301 0.255 0.273 0.000 0.002 0.000 3/20250 460.0 0.295 0.250 0.268 0.000 0.002 0.000 3/20250 470.0 0.290 0.245 0.263 0.000 0.002 0.000 3/20250 480.0 0.285 0.241 0.258 0.000 0.002 0.000 3/20250 490.0 0.280 0.236 0.253 0.000 0.002 0.000 3/20250 500.0 0.275 0.232 0.249 0.000 0.001 0.000 3/20250 510.0 0.270 0.228 0.244 0.000 0.001 0.000 3/20250 520.0 0.266 0.224 0.240 0.000 0.001 0.000 3/20250 530.0 0.261 0.220 0.236 0.000 0.001 0.000 3/20250 540.0 0.257 0.216 0.232 0.000 0.001 0.000 3/20250 550.0 0.253 0.213 0.228 0.000 0.001 0.000 3/20250 560.0 0.249 0.209 0.225 0.000 0.001 0.000 3/20250 570.0 0.245 0.206 0.221 0.000 0.001 0.000 3/20250 580.0 0.242 0.203 0.218 0.000 0.001 0.000 3/20250 590.0 0.238 0.199 0.214 0.000 0.001 0.000 3/20250 600.0 0.235 0.196 0.211 0.000 0.001 0.000 3/20250 610.0 0.231 0.193 0.208 0.000 0.001 0.000 3/20250 620.0 0.228 0.190 0.205 0.000 0.001 0.000 3/20250 630.0 0.225 0.188 0.202 0.000 0.001 0.000 3/20250 640.0 0.222 0.185 0.199 0.000 0.001 0.000 3/20250 650.0 0.218 0.182 0.196 0.000 0.001 0.000 3/20250 660.0 0.216 0.180 0.193 0.000 0.001 0.000 3/20250 670.0 0.213 0.177 0.191 0.000 0.001 0.000 3/20250 680.0 0.210 0.175 0.188 0.000 0.001 0.000 3/20250 690.0 0.207 0.172 0.186 0.000 0.001 0.000 3/20250 700.0 0.205 0.170 0.183 0.000 0.001 0.000 3/20250 710.0 0.202 0.168 0.181 0.000 0.001 0.000 3/20250 720.0 0.199 0.166 0.179 0.000 0.001 0.000 3/20250 730.0 0.197 0.164 0.176 0.000 0.001 0.000 3/20250 740.0 0.195 0.162 0.174 0.000 0.001 0.000 3/20250 750.0 0.192 0.159 0.172 0.000 0.001 0.000 3/20250 760.0 0.190 0.158 0.170 0.000 0.001 0.000 3/20250 770.0 0.188 0.156 0.168 0.000 0.001 0.000 3/20250 780.0 0.186 0.154 0.166 0.000 0.001 0.000 3/20250 790.0 0.183 0.152 0.164 0.000 0.001 0.000 3/20250 800.0 0.181 0.150 0.162 0.000 0.001 0.000 3/20250 810.0 0.179 0.148 0.160 0.000 0.001 0.000 3/20250 820.0 0.177 0.147 0.158 0.000 0.001 0.000 3/20250 830.0 0.175 0.145 0.156 0.000 0.001 0.000 3/20250 840.0 0.173 0.143 0.155 0.000 0.001 0.000 3/20250 850.0 0.172 0.142 0.153 0.000 0.001 0.000 3/20250 860.0 0.170 0.140 0.151 0.000 0.001 0.000 3/20250 870.0 0.168 0.139 0.150 0.000 0.001 0.000 3/20250 880.0 0.166 0.137 0.148 0.000 0.001 0.000 3/20250 890.0 0.164 0.136 0.146 0.000 0.001 0.000 3/20250 900.0 0.163 0.134 0.145 0.000 0.001 0.000 3/20250 910.0 0.161 0.133 0.143 0.000 0.001 0.000 3/20250 920.0 0.159 0.131 0.142 0.000 0.000 0.000 3/20250 930.0 0.158 0.130 0.140 0.000 0.000 0.000 3/20250 940.0 0.156 0.129 0.139 0.000 0.000 0.000 3/20250 950.0 0.155 0.128 0.138 0.000 0.000 0.000 3/20250 960.0 0.153 0.126 0.136 0.000 0.000 0.000 3/20250 970.0 0.152 0.125 0.135 0.000 0.000 0.000 3/20250 980.0 0.150 0.124 0.134 0.000 0.000 0.000 3/20250 990.0 0.149 0.123 0.132 0.000 0.000 0.000 3/20250 1000.0 0.148 0.121 0.131 0.000 0.000 0.000 3/20250 Thermal conductivity related properties were written into "kappa-m955.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:44:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|