----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:21:49]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cc (9) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.815131411517883 -3.358653475000000 0.000000000000000 b 5.815131411517883 3.358653475000000 0.000000000000000 c -3.874720373279959 0.000000000000000 11.045006303864358 Atomic positions (fractional): *1 Cu 0.04424380448928 0.96435015698626 0.88839749592679 63.546 *2 Cu 0.63211475168561 0.73057484096319 0.61233800904677 63.546 *3 Cu 0.46489490191333 0.00374824065861 0.88829927790384 63.546 4 Cu 0.73057484096319 0.63211475168561 0.11233800904677 63.546 *5 Cu 0.50437694737616 0.54400933894604 0.88856126496952 63.546 6 Cu 0.00374824065861 0.46489490191333 0.38829927790384 63.546 *7 Cu 0.87359312881396 0.13234191366724 0.61219981202996 63.546 *8 Cu 0.37388234158762 0.23059799467902 0.11220483437333 63.546 9 Cu 0.23059799467902 0.37388234158762 0.61220483437333 63.546 10 Cu 0.13234191366724 0.87359312881395 0.11219981202996 63.546 11 Cu 0.54400933894604 0.50437694737616 0.38856126496952 63.546 12 Cu 0.96435015698626 0.04424380448928 0.38839749592679 63.546 *13 P 0.49969396905648 0.99992812336443 0.37514036501649 30.974 14 P 0.99992812336443 0.49969396905648 0.87514036501649 30.974 *15 S 0.56200938912706 0.06220392770874 0.56217627935140 32.065 16 S 0.06220392770874 0.56200938912706 0.06217627935139 32.065 *17 S 0.80958717390598 0.79510920303414 0.31065858850152 32.065 *18 S 0.83055488508039 0.29465098770981 0.81081700218584 32.065 19 S 0.29465098770981 0.83055488508039 0.31081700218584 32.065 20 S 0.79510920303414 0.80958717390598 0.81065858850152 32.065 *21 S 0.33056658824285 0.30992247514499 0.31074024071430 32.065 *22 S 0.38079884092622 0.88072511168967 0.01772978452156 32.065 23 S 0.88072511168967 0.38079884092622 0.51772978452156 32.065 24 S 0.30992247514499 0.33056658824285 0.81074024071430 32.065 *25 Br 0.75102076315313 0.25051096008982 0.12786554545872 79.904 26 Br 0.25051096008982 0.75102076315313 0.62786554545872 79.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.630262823035766 0.000000000000000 0.000000000000000 b 0.000000000000000 6.717306950000000 0.000000000000000 c -3.874720373279959 0.000000000000000 11.045006303864358 Atomic positions (fractional): *1 Cu 0.50429698073777 0.46005317624849 0.88839749592679 63.546 > 1 *2 Cu 0.68134479632440 0.04923004463879 0.61233800904677 63.546 > 2 *3 Cu 0.23432157128597 0.76942666937264 0.88829927790384 63.546 > 3 4 Cu 0.68134479632440 0.95076995536121 0.11233800904677 63.546 > 4 *5 Cu 0.52419314316110 0.01981619578494 0.88856126496952 63.546 > 5 6 Cu 0.23432157128597 0.23057333062736 0.38829927790384 63.546 > 6 *7 Cu 0.50296752124060 0.62937439242664 0.61219981202996 63.546 > 7 *8 Cu 0.30224016813332 0.92835782654570 0.11220483437333 63.546 > 8 9 Cu 0.30224016813332 0.07164217345430 0.61220483437333 63.546 > 9 10 Cu 0.50296752124060 0.37062560757335 0.11219981202996 63.546 > 10 11 Cu 0.52419314316110 0.98018380421506 0.38856126496952 63.546 > 11 12 Cu 0.50429698073777 0.53994682375151 0.38839749592679 63.546 > 12 13 Cu 0.00429698073777 0.96005317624849 0.88839749592679 63.546 > 1 14 Cu 0.18134479632440 0.54923004463879 0.61233800904677 63.546 > 2 15 Cu 0.73432157128597 0.26942666937264 0.88829927790384 63.546 > 3 16 Cu 0.18134479632440 0.45076995536121 0.11233800904677 63.546 > 4 17 Cu 0.02419314316110 0.51981619578494 0.88856126496952 63.546 > 5 18 Cu 0.73432157128597 0.73057333062736 0.38829927790384 63.546 > 6 19 Cu 0.00296752124060 0.12937439242665 0.61219981202996 63.546 > 7 20 Cu 0.80224016813332 0.42835782654570 0.11220483437333 63.546 > 8 21 Cu 0.80224016813332 0.57164217345430 0.61220483437333 63.546 > 9 22 Cu 0.00296752124060 0.87062560757336 0.11219981202996 63.546 > 10 23 Cu 0.02419314316110 0.48018380421506 0.38856126496952 63.546 > 11 24 Cu 0.00429698073777 0.03994682375151 0.38839749592679 63.546 > 12 *25 P 0.74981104621046 0.25011707715397 0.37514036501649 30.974 > 13 26 P 0.74981104621046 0.74988292284603 0.87514036501649 30.974 > 14 27 P 0.24981104621046 0.75011707715397 0.37514036501649 30.974 > 13 28 P 0.24981104621046 0.24988292284603 0.87514036501649 30.974 > 14 *29 S 0.31210665841790 0.75009726929084 0.56217627935140 32.065 > 15 30 S 0.31210665841790 0.24990273070916 0.06217627935139 32.065 > 16 *31 S 0.80234818847006 0.99276101456408 0.31065858850152 32.065 > 17 *32 S 0.56260293639510 0.73204805131471 0.81081700218584 32.065 > 18 33 S 0.56260293639510 0.26795194868529 0.31081700218584 32.065 > 19 34 S 0.80234818847006 0.00723898543592 0.81065858850152 32.065 > 20 *35 S 0.32024453169392 0.98967794345107 0.31074024071430 32.065 > 21 *36 S 0.63076197630795 0.24996313538173 0.01772978452156 32.065 > 22 37 S 0.63076197630795 0.75003686461827 0.51772978452156 32.065 > 23 38 S 0.32024453169392 0.01032205654893 0.81074024071430 32.065 > 24 39 S 0.81210665841790 0.25009726929084 0.56217627935140 32.065 > 15 40 S 0.81210665841790 0.74990273070916 0.06217627935139 32.065 > 16 41 S 0.30234818847006 0.49276101456408 0.31065858850152 32.065 > 17 42 S 0.06260293639510 0.23204805131471 0.81081700218584 32.065 > 18 43 S 0.06260293639510 0.76795194868529 0.31081700218584 32.065 > 19 44 S 0.30234818847006 0.50723898543592 0.81065858850152 32.065 > 20 45 S 0.82024453169392 0.48967794345107 0.31074024071430 32.065 > 21 46 S 0.13076197630795 0.74996313538173 0.01772978452156 32.065 > 22 47 S 0.13076197630795 0.25003686461827 0.51772978452156 32.065 > 23 48 S 0.82024453169392 0.51032205654893 0.81074024071430 32.065 > 24 *49 Br 0.50076586162148 0.74974509846835 0.12786554545872 79.904 > 25 50 Br 0.50076586162148 0.25025490153165 0.62786554545872 79.904 > 26 51 Br 0.00076586162148 0.24974509846835 0.12786554545872 79.904 > 25 52 Br 0.00076586162148 0.75025490153165 0.62786554545872 79.904 > 26 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.630262823035766 0.000000000000000 0.000000000000000 b 0.000000000000000 13.434613900000000 0.000000000000000 c -3.874720373279959 0.000000000000000 11.045006303864358 Atomic positions (fractional): *1 Cu 0.50429698073777 0.23002658812425 0.88839749592679 63.546 > 1 2 Cu 0.50429698073777 0.73002658812425 0.88839749592679 63.546 > 1 *3 Cu 0.68134479632440 0.02461502231940 0.61233800904677 63.546 > 2 4 Cu 0.68134479632440 0.52461502231940 0.61233800904677 63.546 > 2 *5 Cu 0.23432157128597 0.38471333468632 0.88829927790384 63.546 > 3 6 Cu 0.23432157128597 0.88471333468632 0.88829927790384 63.546 > 3 7 Cu 0.68134479632440 0.47538497768060 0.11233800904677 63.546 > 4 8 Cu 0.68134479632440 0.97538497768060 0.11233800904677 63.546 > 4 *9 Cu 0.52419314316110 0.00990809789247 0.88856126496952 63.546 > 5 10 Cu 0.52419314316110 0.50990809789247 0.88856126496952 63.546 > 5 11 Cu 0.23432157128597 0.11528666531368 0.38829927790384 63.546 > 6 12 Cu 0.23432157128597 0.61528666531368 0.38829927790384 63.546 > 6 *13 Cu 0.50296752124060 0.31468719621332 0.61219981202996 63.546 > 7 14 Cu 0.50296752124060 0.81468719621332 0.61219981202996 63.546 > 7 *15 Cu 0.30224016813332 0.46417891327285 0.11220483437333 63.546 > 8 16 Cu 0.30224016813332 0.96417891327285 0.11220483437333 63.546 > 8 17 Cu 0.30224016813332 0.03582108672715 0.61220483437333 63.546 > 9 18 Cu 0.30224016813332 0.53582108672715 0.61220483437333 63.546 > 9 19 Cu 0.50296752124060 0.18531280378668 0.11219981202996 63.546 > 10 20 Cu 0.50296752124060 0.68531280378668 0.11219981202996 63.546 > 10 21 Cu 0.52419314316110 0.49009190210753 0.38856126496952 63.546 > 11 22 Cu 0.52419314316110 0.99009190210753 0.38856126496952 63.546 > 11 23 Cu 0.50429698073777 0.26997341187575 0.38839749592679 63.546 > 12 24 Cu 0.50429698073777 0.76997341187575 0.38839749592679 63.546 > 12 25 Cu 0.00429698073777 0.48002658812425 0.88839749592679 63.546 > 1 26 Cu 0.00429698073777 0.98002658812425 0.88839749592679 63.546 > 1 27 Cu 0.18134479632440 0.27461502231940 0.61233800904677 63.546 > 2 28 Cu 0.18134479632440 0.77461502231940 0.61233800904677 63.546 > 2 29 Cu 0.73432157128597 0.13471333468632 0.88829927790384 63.546 > 3 30 Cu 0.73432157128597 0.63471333468632 0.88829927790384 63.546 > 3 31 Cu 0.18134479632440 0.22538497768060 0.11233800904677 63.546 > 4 32 Cu 0.18134479632440 0.72538497768060 0.11233800904677 63.546 > 4 33 Cu 0.02419314316110 0.25990809789247 0.88856126496952 63.546 > 5 34 Cu 0.02419314316110 0.75990809789247 0.88856126496952 63.546 > 5 35 Cu 0.73432157128597 0.36528666531368 0.38829927790384 63.546 > 6 36 Cu 0.73432157128597 0.86528666531368 0.38829927790384 63.546 > 6 37 Cu 0.00296752124060 0.06468719621332 0.61219981202996 63.546 > 7 38 Cu 0.00296752124060 0.56468719621332 0.61219981202996 63.546 > 7 39 Cu 0.80224016813332 0.21417891327285 0.11220483437333 63.546 > 8 40 Cu 0.80224016813332 0.71417891327285 0.11220483437333 63.546 > 8 41 Cu 0.80224016813332 0.28582108672715 0.61220483437333 63.546 > 9 42 Cu 0.80224016813332 0.78582108672715 0.61220483437333 63.546 > 9 43 Cu 0.00296752124060 0.43531280378668 0.11219981202996 63.546 > 10 44 Cu 0.00296752124060 0.93531280378668 0.11219981202996 63.546 > 10 45 Cu 0.02419314316110 0.24009190210753 0.38856126496952 63.546 > 11 46 Cu 0.02419314316110 0.74009190210753 0.38856126496952 63.546 > 11 47 Cu 0.00429698073777 0.01997341187575 0.38839749592679 63.546 > 12 48 Cu 0.00429698073777 0.51997341187575 0.38839749592679 63.546 > 12 *49 P 0.74981104621046 0.12505853857699 0.37514036501649 30.974 > 13 50 P 0.74981104621046 0.62505853857699 0.37514036501649 30.974 > 13 51 P 0.74981104621046 0.37494146142301 0.87514036501649 30.974 > 14 52 P 0.74981104621046 0.87494146142301 0.87514036501649 30.974 > 14 53 P 0.24981104621046 0.37505853857699 0.37514036501649 30.974 > 13 54 P 0.24981104621046 0.87505853857699 0.37514036501649 30.974 > 13 55 P 0.24981104621046 0.12494146142301 0.87514036501649 30.974 > 14 56 P 0.24981104621046 0.62494146142301 0.87514036501649 30.974 > 14 *57 S 0.31210665841790 0.37504863464542 0.56217627935140 32.065 > 15 58 S 0.31210665841790 0.87504863464542 0.56217627935140 32.065 > 15 59 S 0.31210665841790 0.12495136535458 0.06217627935139 32.065 > 16 60 S 0.31210665841790 0.62495136535458 0.06217627935139 32.065 > 16 *61 S 0.80234818847006 0.49638050728204 0.31065858850152 32.065 > 17 62 S 0.80234818847006 0.99638050728204 0.31065858850152 32.065 > 17 *63 S 0.56260293639510 0.36602402565735 0.81081700218584 32.065 > 18 64 S 0.56260293639510 0.86602402565736 0.81081700218584 32.065 > 18 65 S 0.56260293639510 0.13397597434264 0.31081700218584 32.065 > 19 66 S 0.56260293639510 0.63397597434264 0.31081700218584 32.065 > 19 67 S 0.80234818847006 0.00361949271796 0.81065858850152 32.065 > 20 68 S 0.80234818847006 0.50361949271796 0.81065858850152 32.065 > 20 *69 S 0.32024453169392 0.49483897172554 0.31074024071430 32.065 > 21 70 S 0.32024453169392 0.99483897172554 0.31074024071430 32.065 > 21 *71 S 0.63076197630795 0.12498156769086 0.01772978452156 32.065 > 22 72 S 0.63076197630795 0.62498156769086 0.01772978452156 32.065 > 22 73 S 0.63076197630795 0.37501843230914 0.51772978452156 32.065 > 23 74 S 0.63076197630795 0.87501843230914 0.51772978452156 32.065 > 23 75 S 0.32024453169392 0.00516102827446 0.81074024071430 32.065 > 24 76 S 0.32024453169392 0.50516102827446 0.81074024071430 32.065 > 24 77 S 0.81210665841790 0.12504863464542 0.56217627935140 32.065 > 15 78 S 0.81210665841790 0.62504863464542 0.56217627935140 32.065 > 15 79 S 0.81210665841790 0.37495136535458 0.06217627935139 32.065 > 16 80 S 0.81210665841790 0.87495136535458 0.06217627935139 32.065 > 16 81 S 0.30234818847006 0.24638050728204 0.31065858850152 32.065 > 17 82 S 0.30234818847006 0.74638050728204 0.31065858850152 32.065 > 17 83 S 0.06260293639510 0.11602402565736 0.81081700218584 32.065 > 18 84 S 0.06260293639510 0.61602402565736 0.81081700218584 32.065 > 18 85 S 0.06260293639510 0.38397597434265 0.31081700218584 32.065 > 19 86 S 0.06260293639510 0.88397597434264 0.31081700218584 32.065 > 19 87 S 0.30234818847006 0.25361949271796 0.81065858850152 32.065 > 20 88 S 0.30234818847006 0.75361949271796 0.81065858850152 32.065 > 20 89 S 0.82024453169392 0.24483897172554 0.31074024071430 32.065 > 21 90 S 0.82024453169392 0.74483897172554 0.31074024071430 32.065 > 21 91 S 0.13076197630795 0.37498156769086 0.01772978452156 32.065 > 22 92 S 0.13076197630795 0.87498156769086 0.01772978452156 32.065 > 22 93 S 0.13076197630795 0.12501843230914 0.51772978452156 32.065 > 23 94 S 0.13076197630795 0.62501843230914 0.51772978452156 32.065 > 23 95 S 0.82024453169392 0.25516102827446 0.81074024071430 32.065 > 24 96 S 0.82024453169392 0.75516102827446 0.81074024071430 32.065 > 24 *97 Br 0.50076586162148 0.37487254923417 0.12786554545872 79.904 > 25 98 Br 0.50076586162148 0.87487254923417 0.12786554545872 79.904 > 25 99 Br 0.50076586162148 0.12512745076583 0.62786554545872 79.904 > 26 100 Br 0.50076586162148 0.62512745076583 0.62786554545872 79.904 > 26 101 Br 0.00076586162148 0.12487254923417 0.12786554545872 79.904 > 25 102 Br 0.00076586162148 0.62487254923417 0.12786554545872 79.904 > 25 103 Br 0.00076586162148 0.37512745076583 0.62786554545872 79.904 > 26 104 Br 0.00076586162148 0.87512745076583 0.62786554545872 79.904 > 26 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.3722622 0.0000000 0.0031565 0.0000000 9.8211278 0.0000000 0.0031783 0.0000000 9.2869346 -------------------------- Born effective charges -------------------------- 1 Cu 0.5707008 -0.0757333 0.0612567 -0.0574565 0.6660323 -0.1107023 -0.0031743 -0.0512105 0.7070894 2 Cu 0.9467201 -0.3636246 -0.0832642 -0.3618464 0.8936482 0.1412635 -0.0799743 0.0401310 0.6105090 3 Cu 0.6642355 0.0016495 -0.1048722 0.0213412 0.6539389 -0.0118242 -0.0499591 0.0321130 0.7095597 4 Cu 0.9467201 0.3636246 -0.0832642 0.3618464 0.8936482 -0.1412635 -0.0799743 -0.0401310 0.6105090 5 Cu 0.5496307 0.0356782 0.0390880 0.0453798 0.7029152 0.1243083 0.0439239 0.0286468 0.7046341 6 Cu 0.6642355 -0.0016495 -0.1048722 -0.0213412 0.6539389 0.0118242 -0.0499591 -0.0321130 0.7095597 7 Cu 0.5474973 0.1383085 -0.0855653 0.1326284 1.2881938 -0.1465631 0.0018104 -0.0903465 0.6086995 8 Cu 1.1823287 -0.2314015 0.1671398 -0.2346670 0.6562384 0.0147598 0.0748324 -0.0514396 0.6134231 9 Cu 1.1823287 0.2314015 0.1671398 0.2346670 0.6562384 -0.0147598 0.0748324 0.0514396 0.6134231 10 Cu 0.5474973 -0.1383085 -0.0855653 -0.1326284 1.2881938 0.1465631 0.0018104 0.0903465 0.6086995 11 Cu 0.5496307 -0.0356782 0.0390880 -0.0453798 0.7029152 -0.1243083 0.0439239 -0.0286468 0.7046341 12 Cu 0.5707008 0.0757333 0.0612567 0.0574565 0.6660323 0.1107023 -0.0031743 0.0512105 0.7070894 13 P 2.9473318 0.2848461 0.0016438 -0.2937951 2.9777001 0.0049244 0.0006333 0.0033458 2.6936251 14 P 2.9473318 -0.2848461 0.0016438 0.2937951 2.9777001 -0.0049244 0.0006333 -0.0033458 2.6936251 15 S -0.6071158 -0.1794403 -0.0019582 0.1812955 -0.5836334 0.0074153 0.0032837 0.0028180 -2.5618369 16 S -0.6071158 0.1794403 -0.0019582 -0.1812955 -0.5836334 -0.0074153 0.0032837 -0.0028180 -2.5618369 17 S -0.9472918 0.5326761 0.2132573 0.7562498 -1.9588590 -0.5767919 0.2805828 -0.5874005 -0.6324955 18 S -2.0764414 0.0606041 -0.5644194 -0.1003737 -0.5939553 -0.0664100 -0.6502417 -0.0538893 -0.6372399 19 S -2.0764414 -0.0606041 -0.5644194 0.1003737 -0.5939553 0.0664100 -0.6502417 0.0538893 -0.6372399 20 S -0.9472918 -0.5326761 0.2132573 -0.7562498 -1.9588590 0.5767919 0.2805828 0.5874005 -0.6324955 21 S -1.0027504 -0.7391617 0.3550475 -0.6191468 -1.9267547 0.5071001 0.3802157 0.5452972 -0.6430573 22 S -0.9815393 -0.1145037 0.0013218 0.1185284 -0.9841326 0.0011770 -0.0014066 -0.0014572 -0.7176433 23 S -0.9815393 0.1145037 0.0013218 -0.1185284 -0.9841326 -0.0011770 -0.0014066 0.0014572 -0.7176433 24 S -1.0027504 0.7391617 0.3550475 0.6191468 -1.9267547 -0.5071001 0.3802157 -0.5452972 -0.6430573 25 Br -1.7933061 0.0527546 0.0013243 -0.0560484 -1.7913318 0.0029686 -0.0005262 0.0027994 -1.4552670 26 Br -1.7933061 -0.0527546 0.0013243 0.0560484 -1.7913318 -0.0029686 -0.0005262 -0.0027994 -1.4552670 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 14514/14514 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6201 Number of blocks in projector: 6201 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: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 338 eigenvectors found. (1) Complementary block size: 62 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 338 eigenvectors found. (1) Complementary block size: 62 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1352 / 1352 (1) 339 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6201, 6085), data: False |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1352, 1327), data: False |-- (1352, 34), data: (1352, 59) @ (59, 34) |-- (352, 339), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (1352, 1326), data: False |-- (1352, 36), data: (1352, 62) @ (62, 36) |-- (352, 338), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1352, 1326), data: False |-- (1352, 36), data: (1352, 62) @ (62, 36) |-- (352, 338), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1600 - Time: 1.556 Solver_block: 200 / 1600 - Time: 1.401 Solver_block: 300 / 1600 - Time: 1.406 Solver_block: 400 / 1600 - Time: 1.404 Solver_block: 500 / 1600 - Time: 1.398 Solver_block: 600 / 1600 - Time: 1.410 Solver_block: 700 / 1600 - Time: 1.411 Solver_block: 800 / 1600 - Time: 1.404 Solver_block: 900 / 1600 - Time: 1.401 Solver_block: 1000 / 1600 - Time: 1.411 Solver_block: 1100 / 1600 - Time: 1.397 Solver_block: 1200 / 1600 - Time: 1.401 Solver_block: 1300 / 1600 - Time: 1.403 Solver_block: 1400 / 1600 - Time: 1.400 Solver_block: 1500 / 1600 - Time: 1.391 Solver_block: 1600 / 1600 - Time: 1.402 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 23.224 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 312/312 Permutation basis: 14514/14514 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6201 Number of blocks in projector: 6201 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: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 338 eigenvectors found. (1) Complementary block size: 62 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 338 eigenvectors found. (1) Complementary block size: 62 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1352 / 1352 (1) 339 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6201, 6085), data: False |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1352, 1327), data: False |-- (1352, 34), data: (1352, 59) @ (59, 34) |-- (352, 339), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (1352, 1326), data: False |-- (1352, 36), data: (1352, 62) @ (62, 36) |-- (352, 338), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1352, 1326), data: False |-- (1352, 36), data: (1352, 62) @ (62, 36) |-- (352, 338), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:23:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:23:04]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cc (9) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.815131411517883 -3.358653475000000 0.000000000000000 b 5.815131411517883 3.358653475000000 0.000000000000000 c -3.874720373279959 0.000000000000000 11.045006303864358 Atomic positions (fractional): 1 Cu 0.04424380448928 0.96435015698626 0.88839749592679 63.546 2 Cu 0.63211475168561 0.73057484096319 0.61233800904677 63.546 3 Cu 0.46489490191333 0.00374824065861 0.88829927790384 63.546 4 Cu 0.73057484096319 0.63211475168561 0.11233800904677 63.546 5 Cu 0.50437694737616 0.54400933894604 0.88856126496952 63.546 6 Cu 0.00374824065861 0.46489490191333 0.38829927790384 63.546 7 Cu 0.87359312881396 0.13234191366724 0.61219981202996 63.546 8 Cu 0.37388234158762 0.23059799467902 0.11220483437333 63.546 9 Cu 0.23059799467902 0.37388234158762 0.61220483437333 63.546 10 Cu 0.13234191366724 0.87359312881395 0.11219981202996 63.546 11 Cu 0.54400933894604 0.50437694737616 0.38856126496952 63.546 12 Cu 0.96435015698626 0.04424380448928 0.38839749592679 63.546 13 P 0.49969396905648 0.99992812336443 0.37514036501649 30.974 14 P 0.99992812336443 0.49969396905648 0.87514036501649 30.974 15 S 0.56200938912706 0.06220392770874 0.56217627935140 32.065 16 S 0.06220392770874 0.56200938912706 0.06217627935139 32.065 17 S 0.80958717390598 0.79510920303414 0.31065858850152 32.065 18 S 0.83055488508039 0.29465098770981 0.81081700218584 32.065 19 S 0.29465098770981 0.83055488508039 0.31081700218584 32.065 20 S 0.79510920303414 0.80958717390598 0.81065858850152 32.065 21 S 0.33056658824285 0.30992247514499 0.31074024071430 32.065 22 S 0.38079884092622 0.88072511168967 0.01772978452156 32.065 23 S 0.88072511168967 0.38079884092622 0.51772978452156 32.065 24 S 0.30992247514499 0.33056658824285 0.81074024071430 32.065 25 Br 0.75102076315313 0.25051096008982 0.12786554545872 79.904 26 Br 0.25051096008982 0.75102076315313 0.62786554545872 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.630262823035766 0.000000000000000 0.000000000000000 b 0.000000000000000 13.434613900000000 0.000000000000000 c -3.874720373279959 0.000000000000000 11.045006303864358 Atomic positions (fractional): 1 Cu 0.50429698073777 0.23002658812425 0.88839749592679 63.546 > 1 2 Cu 0.50429698073777 0.73002658812425 0.88839749592679 63.546 > 1 3 Cu 0.68134479632440 0.02461502231940 0.61233800904677 63.546 > 3 4 Cu 0.68134479632440 0.52461502231940 0.61233800904677 63.546 > 3 5 Cu 0.23432157128597 0.38471333468632 0.88829927790384 63.546 > 5 6 Cu 0.23432157128597 0.88471333468632 0.88829927790384 63.546 > 5 7 Cu 0.68134479632440 0.47538497768060 0.11233800904677 63.546 > 7 8 Cu 0.68134479632440 0.97538497768060 0.11233800904677 63.546 > 7 9 Cu 0.52419314316110 0.00990809789247 0.88856126496952 63.546 > 9 10 Cu 0.52419314316110 0.50990809789247 0.88856126496952 63.546 > 9 11 Cu 0.23432157128597 0.11528666531368 0.38829927790384 63.546 > 11 12 Cu 0.23432157128597 0.61528666531368 0.38829927790384 63.546 > 11 13 Cu 0.50296752124060 0.31468719621332 0.61219981202996 63.546 > 13 14 Cu 0.50296752124060 0.81468719621332 0.61219981202996 63.546 > 13 15 Cu 0.30224016813332 0.46417891327285 0.11220483437333 63.546 > 15 16 Cu 0.30224016813332 0.96417891327285 0.11220483437333 63.546 > 15 17 Cu 0.30224016813332 0.03582108672715 0.61220483437333 63.546 > 17 18 Cu 0.30224016813332 0.53582108672715 0.61220483437333 63.546 > 17 19 Cu 0.50296752124060 0.18531280378668 0.11219981202996 63.546 > 19 20 Cu 0.50296752124060 0.68531280378668 0.11219981202996 63.546 > 19 21 Cu 0.52419314316110 0.49009190210753 0.38856126496952 63.546 > 21 22 Cu 0.52419314316110 0.99009190210753 0.38856126496952 63.546 > 21 23 Cu 0.50429698073777 0.26997341187575 0.38839749592679 63.546 > 23 24 Cu 0.50429698073777 0.76997341187575 0.38839749592679 63.546 > 23 25 Cu 0.00429698073777 0.48002658812425 0.88839749592679 63.546 > 1 26 Cu 0.00429698073777 0.98002658812425 0.88839749592679 63.546 > 1 27 Cu 0.18134479632440 0.27461502231940 0.61233800904677 63.546 > 3 28 Cu 0.18134479632440 0.77461502231940 0.61233800904677 63.546 > 3 29 Cu 0.73432157128597 0.13471333468632 0.88829927790384 63.546 > 5 30 Cu 0.73432157128597 0.63471333468632 0.88829927790384 63.546 > 5 31 Cu 0.18134479632440 0.22538497768060 0.11233800904677 63.546 > 7 32 Cu 0.18134479632440 0.72538497768060 0.11233800904677 63.546 > 7 33 Cu 0.02419314316110 0.25990809789247 0.88856126496952 63.546 > 9 34 Cu 0.02419314316110 0.75990809789247 0.88856126496952 63.546 > 9 35 Cu 0.73432157128597 0.36528666531368 0.38829927790384 63.546 > 11 36 Cu 0.73432157128597 0.86528666531368 0.38829927790384 63.546 > 11 37 Cu 0.00296752124060 0.06468719621332 0.61219981202996 63.546 > 13 38 Cu 0.00296752124060 0.56468719621332 0.61219981202996 63.546 > 13 39 Cu 0.80224016813332 0.21417891327285 0.11220483437333 63.546 > 15 40 Cu 0.80224016813332 0.71417891327285 0.11220483437333 63.546 > 15 41 Cu 0.80224016813332 0.28582108672715 0.61220483437333 63.546 > 17 42 Cu 0.80224016813332 0.78582108672715 0.61220483437333 63.546 > 17 43 Cu 0.00296752124060 0.43531280378668 0.11219981202996 63.546 > 19 44 Cu 0.00296752124060 0.93531280378668 0.11219981202996 63.546 > 19 45 Cu 0.02419314316110 0.24009190210753 0.38856126496952 63.546 > 21 46 Cu 0.02419314316110 0.74009190210753 0.38856126496952 63.546 > 21 47 Cu 0.00429698073777 0.01997341187575 0.38839749592679 63.546 > 23 48 Cu 0.00429698073777 0.51997341187575 0.38839749592679 63.546 > 23 49 P 0.74981104621046 0.12505853857699 0.37514036501649 30.974 > 49 50 P 0.74981104621046 0.62505853857699 0.37514036501649 30.974 > 49 51 P 0.74981104621046 0.37494146142301 0.87514036501649 30.974 > 51 52 P 0.74981104621046 0.87494146142301 0.87514036501649 30.974 > 51 53 P 0.24981104621046 0.37505853857699 0.37514036501649 30.974 > 49 54 P 0.24981104621046 0.87505853857699 0.37514036501649 30.974 > 49 55 P 0.24981104621046 0.12494146142301 0.87514036501649 30.974 > 51 56 P 0.24981104621046 0.62494146142301 0.87514036501649 30.974 > 51 57 S 0.31210665841790 0.37504863464542 0.56217627935140 32.065 > 57 58 S 0.31210665841790 0.87504863464542 0.56217627935140 32.065 > 57 59 S 0.31210665841790 0.12495136535458 0.06217627935139 32.065 > 59 60 S 0.31210665841790 0.62495136535458 0.06217627935139 32.065 > 59 61 S 0.80234818847006 0.49638050728204 0.31065858850152 32.065 > 61 62 S 0.80234818847006 0.99638050728204 0.31065858850152 32.065 > 61 63 S 0.56260293639510 0.36602402565735 0.81081700218584 32.065 > 63 64 S 0.56260293639510 0.86602402565736 0.81081700218584 32.065 > 63 65 S 0.56260293639510 0.13397597434264 0.31081700218584 32.065 > 65 66 S 0.56260293639510 0.63397597434264 0.31081700218584 32.065 > 65 67 S 0.80234818847006 0.00361949271796 0.81065858850152 32.065 > 67 68 S 0.80234818847006 0.50361949271796 0.81065858850152 32.065 > 67 69 S 0.32024453169392 0.49483897172554 0.31074024071430 32.065 > 69 70 S 0.32024453169392 0.99483897172554 0.31074024071430 32.065 > 69 71 S 0.63076197630795 0.12498156769086 0.01772978452156 32.065 > 71 72 S 0.63076197630795 0.62498156769086 0.01772978452156 32.065 > 71 73 S 0.63076197630795 0.37501843230914 0.51772978452156 32.065 > 73 74 S 0.63076197630795 0.87501843230914 0.51772978452156 32.065 > 73 75 S 0.32024453169392 0.00516102827446 0.81074024071430 32.065 > 75 76 S 0.32024453169392 0.50516102827446 0.81074024071430 32.065 > 75 77 S 0.81210665841790 0.12504863464542 0.56217627935140 32.065 > 57 78 S 0.81210665841790 0.62504863464542 0.56217627935140 32.065 > 57 79 S 0.81210665841790 0.37495136535458 0.06217627935139 32.065 > 59 80 S 0.81210665841790 0.87495136535458 0.06217627935139 32.065 > 59 81 S 0.30234818847006 0.24638050728204 0.31065858850152 32.065 > 61 82 S 0.30234818847006 0.74638050728204 0.31065858850152 32.065 > 61 83 S 0.06260293639510 0.11602402565736 0.81081700218584 32.065 > 63 84 S 0.06260293639510 0.61602402565736 0.81081700218584 32.065 > 63 85 S 0.06260293639510 0.38397597434265 0.31081700218584 32.065 > 65 86 S 0.06260293639510 0.88397597434264 0.31081700218584 32.065 > 65 87 S 0.30234818847006 0.25361949271796 0.81065858850152 32.065 > 67 88 S 0.30234818847006 0.75361949271796 0.81065858850152 32.065 > 67 89 S 0.82024453169392 0.24483897172554 0.31074024071430 32.065 > 69 90 S 0.82024453169392 0.74483897172554 0.31074024071430 32.065 > 69 91 S 0.13076197630795 0.37498156769086 0.01772978452156 32.065 > 71 92 S 0.13076197630795 0.87498156769086 0.01772978452156 32.065 > 71 93 S 0.13076197630795 0.12501843230914 0.51772978452156 32.065 > 73 94 S 0.13076197630795 0.62501843230914 0.51772978452156 32.065 > 73 95 S 0.82024453169392 0.25516102827446 0.81074024071430 32.065 > 75 96 S 0.82024453169392 0.75516102827446 0.81074024071430 32.065 > 75 97 Br 0.50076586162148 0.37487254923417 0.12786554545872 79.904 > 97 98 Br 0.50076586162148 0.87487254923417 0.12786554545872 79.904 > 97 99 Br 0.50076586162148 0.12512745076583 0.62786554545872 79.904 > 99 100 Br 0.50076586162148 0.62512745076583 0.62786554545872 79.904 > 99 101 Br 0.00076586162148 0.12487254923417 0.12786554545872 79.904 > 97 102 Br 0.00076586162148 0.62487254923417 0.12786554545872 79.904 > 97 103 Br 0.00076586162148 0.37512745076583 0.62786554545872 79.904 > 99 104 Br 0.00076586162148 0.87512745076583 0.62786554545872 79.904 > 99 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.3722622 0.0000000 0.0031565 0.0000000 9.8211278 0.0000000 0.0031783 0.0000000 9.2869346 -------------------------- Born effective charges -------------------------- 1 Cu 0.5707008 -0.0757333 0.0612567 -0.0574565 0.6660323 -0.1107023 -0.0031743 -0.0512105 0.7070894 2 Cu 0.9467201 -0.3636246 -0.0832642 -0.3618464 0.8936482 0.1412635 -0.0799743 0.0401310 0.6105090 3 Cu 0.6642355 0.0016495 -0.1048722 0.0213412 0.6539389 -0.0118242 -0.0499591 0.0321130 0.7095597 4 Cu 0.9467201 0.3636246 -0.0832642 0.3618464 0.8936482 -0.1412635 -0.0799743 -0.0401310 0.6105090 5 Cu 0.5496307 0.0356782 0.0390880 0.0453798 0.7029152 0.1243083 0.0439239 0.0286468 0.7046341 6 Cu 0.6642355 -0.0016495 -0.1048722 -0.0213412 0.6539389 0.0118242 -0.0499591 -0.0321130 0.7095597 7 Cu 0.5474973 0.1383085 -0.0855653 0.1326284 1.2881938 -0.1465631 0.0018104 -0.0903465 0.6086995 8 Cu 1.1823287 -0.2314015 0.1671398 -0.2346670 0.6562384 0.0147598 0.0748324 -0.0514396 0.6134231 9 Cu 1.1823287 0.2314015 0.1671398 0.2346670 0.6562384 -0.0147598 0.0748324 0.0514396 0.6134231 10 Cu 0.5474973 -0.1383085 -0.0855653 -0.1326284 1.2881938 0.1465631 0.0018104 0.0903465 0.6086995 11 Cu 0.5496307 -0.0356782 0.0390880 -0.0453798 0.7029152 -0.1243083 0.0439239 -0.0286468 0.7046341 12 Cu 0.5707008 0.0757333 0.0612567 0.0574565 0.6660323 0.1107023 -0.0031743 0.0512105 0.7070894 13 P 2.9473318 0.2848461 0.0016438 -0.2937951 2.9777001 0.0049244 0.0006333 0.0033458 2.6936251 14 P 2.9473318 -0.2848461 0.0016438 0.2937951 2.9777001 -0.0049244 0.0006333 -0.0033458 2.6936251 15 S -0.6071158 -0.1794403 -0.0019582 0.1812955 -0.5836334 0.0074153 0.0032837 0.0028180 -2.5618369 16 S -0.6071158 0.1794403 -0.0019582 -0.1812955 -0.5836334 -0.0074153 0.0032837 -0.0028180 -2.5618369 17 S -0.9472918 0.5326761 0.2132573 0.7562498 -1.9588590 -0.5767919 0.2805828 -0.5874005 -0.6324955 18 S -2.0764414 0.0606041 -0.5644194 -0.1003737 -0.5939553 -0.0664100 -0.6502417 -0.0538893 -0.6372399 19 S -2.0764414 -0.0606041 -0.5644194 0.1003737 -0.5939553 0.0664100 -0.6502417 0.0538893 -0.6372399 20 S -0.9472918 -0.5326761 0.2132573 -0.7562498 -1.9588590 0.5767919 0.2805828 0.5874005 -0.6324955 21 S -1.0027504 -0.7391617 0.3550475 -0.6191468 -1.9267547 0.5071001 0.3802157 0.5452972 -0.6430573 22 S -0.9815393 -0.1145037 0.0013218 0.1185284 -0.9841326 0.0011770 -0.0014066 -0.0014572 -0.7176433 23 S -0.9815393 0.1145037 0.0013218 -0.1185284 -0.9841326 -0.0011770 -0.0014066 0.0014572 -0.7176433 24 S -1.0027504 0.7391617 0.3550475 0.6191468 -1.9267547 -0.5071001 0.3802157 -0.5452972 -0.6430573 25 Br -1.7933061 0.0527546 0.0013243 -0.0560484 -1.7913318 0.0029686 -0.0005262 0.0027994 -1.4552670 26 Br -1.7933061 -0.0527546 0.0013243 0.0560484 -1.7913318 -0.0029686 -0.0005262 -0.0027994 -1.4552670 ---------------------------------------------------------------------------- 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 3, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 15, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 61, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 63, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 69, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 71, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) 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 11:23:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:23:44]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cc (9) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.815131411517883 -3.358653475000000 0.000000000000000 b 5.815131411517883 3.358653475000000 0.000000000000000 c -3.874720373279959 0.000000000000000 11.045006303864358 Atomic positions (fractional): 1 Cu 0.04424380448928 0.96435015698626 0.88839749592679 63.546 2 Cu 0.63211475168561 0.73057484096319 0.61233800904677 63.546 3 Cu 0.46489490191333 0.00374824065861 0.88829927790384 63.546 4 Cu 0.73057484096319 0.63211475168561 0.11233800904677 63.546 5 Cu 0.50437694737616 0.54400933894604 0.88856126496952 63.546 6 Cu 0.00374824065861 0.46489490191333 0.38829927790384 63.546 7 Cu 0.87359312881396 0.13234191366724 0.61219981202996 63.546 8 Cu 0.37388234158762 0.23059799467902 0.11220483437333 63.546 9 Cu 0.23059799467902 0.37388234158762 0.61220483437333 63.546 10 Cu 0.13234191366724 0.87359312881395 0.11219981202996 63.546 11 Cu 0.54400933894604 0.50437694737616 0.38856126496952 63.546 12 Cu 0.96435015698626 0.04424380448928 0.38839749592679 63.546 13 P 0.49969396905648 0.99992812336443 0.37514036501649 30.974 14 P 0.99992812336443 0.49969396905648 0.87514036501649 30.974 15 S 0.56200938912706 0.06220392770874 0.56217627935140 32.065 16 S 0.06220392770874 0.56200938912706 0.06217627935139 32.065 17 S 0.80958717390598 0.79510920303414 0.31065858850152 32.065 18 S 0.83055488508039 0.29465098770981 0.81081700218584 32.065 19 S 0.29465098770981 0.83055488508039 0.31081700218584 32.065 20 S 0.79510920303414 0.80958717390598 0.81065858850152 32.065 21 S 0.33056658824285 0.30992247514499 0.31074024071430 32.065 22 S 0.38079884092622 0.88072511168967 0.01772978452156 32.065 23 S 0.88072511168967 0.38079884092622 0.51772978452156 32.065 24 S 0.30992247514499 0.33056658824285 0.81074024071430 32.065 25 Br 0.75102076315313 0.25051096008982 0.12786554545872 79.904 26 Br 0.25051096008982 0.75102076315313 0.62786554545872 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.630262823035766 0.000000000000000 0.000000000000000 b 0.000000000000000 13.434613900000000 0.000000000000000 c -3.874720373279959 0.000000000000000 11.045006303864358 Atomic positions (fractional): 1 Cu 0.50429698073777 0.23002658812425 0.88839749592679 63.546 > 1 2 Cu 0.50429698073777 0.73002658812425 0.88839749592679 63.546 > 1 3 Cu 0.68134479632440 0.02461502231940 0.61233800904677 63.546 > 3 4 Cu 0.68134479632440 0.52461502231940 0.61233800904677 63.546 > 3 5 Cu 0.23432157128597 0.38471333468632 0.88829927790384 63.546 > 5 6 Cu 0.23432157128597 0.88471333468632 0.88829927790384 63.546 > 5 7 Cu 0.68134479632440 0.47538497768060 0.11233800904677 63.546 > 7 8 Cu 0.68134479632440 0.97538497768060 0.11233800904677 63.546 > 7 9 Cu 0.52419314316110 0.00990809789247 0.88856126496952 63.546 > 9 10 Cu 0.52419314316110 0.50990809789247 0.88856126496952 63.546 > 9 11 Cu 0.23432157128597 0.11528666531368 0.38829927790384 63.546 > 11 12 Cu 0.23432157128597 0.61528666531368 0.38829927790384 63.546 > 11 13 Cu 0.50296752124060 0.31468719621332 0.61219981202996 63.546 > 13 14 Cu 0.50296752124060 0.81468719621332 0.61219981202996 63.546 > 13 15 Cu 0.30224016813332 0.46417891327285 0.11220483437333 63.546 > 15 16 Cu 0.30224016813332 0.96417891327285 0.11220483437333 63.546 > 15 17 Cu 0.30224016813332 0.03582108672715 0.61220483437333 63.546 > 17 18 Cu 0.30224016813332 0.53582108672715 0.61220483437333 63.546 > 17 19 Cu 0.50296752124060 0.18531280378668 0.11219981202996 63.546 > 19 20 Cu 0.50296752124060 0.68531280378668 0.11219981202996 63.546 > 19 21 Cu 0.52419314316110 0.49009190210753 0.38856126496952 63.546 > 21 22 Cu 0.52419314316110 0.99009190210753 0.38856126496952 63.546 > 21 23 Cu 0.50429698073777 0.26997341187575 0.38839749592679 63.546 > 23 24 Cu 0.50429698073777 0.76997341187575 0.38839749592679 63.546 > 23 25 Cu 0.00429698073777 0.48002658812425 0.88839749592679 63.546 > 1 26 Cu 0.00429698073777 0.98002658812425 0.88839749592679 63.546 > 1 27 Cu 0.18134479632440 0.27461502231940 0.61233800904677 63.546 > 3 28 Cu 0.18134479632440 0.77461502231940 0.61233800904677 63.546 > 3 29 Cu 0.73432157128597 0.13471333468632 0.88829927790384 63.546 > 5 30 Cu 0.73432157128597 0.63471333468632 0.88829927790384 63.546 > 5 31 Cu 0.18134479632440 0.22538497768060 0.11233800904677 63.546 > 7 32 Cu 0.18134479632440 0.72538497768060 0.11233800904677 63.546 > 7 33 Cu 0.02419314316110 0.25990809789247 0.88856126496952 63.546 > 9 34 Cu 0.02419314316110 0.75990809789247 0.88856126496952 63.546 > 9 35 Cu 0.73432157128597 0.36528666531368 0.38829927790384 63.546 > 11 36 Cu 0.73432157128597 0.86528666531368 0.38829927790384 63.546 > 11 37 Cu 0.00296752124060 0.06468719621332 0.61219981202996 63.546 > 13 38 Cu 0.00296752124060 0.56468719621332 0.61219981202996 63.546 > 13 39 Cu 0.80224016813332 0.21417891327285 0.11220483437333 63.546 > 15 40 Cu 0.80224016813332 0.71417891327285 0.11220483437333 63.546 > 15 41 Cu 0.80224016813332 0.28582108672715 0.61220483437333 63.546 > 17 42 Cu 0.80224016813332 0.78582108672715 0.61220483437333 63.546 > 17 43 Cu 0.00296752124060 0.43531280378668 0.11219981202996 63.546 > 19 44 Cu 0.00296752124060 0.93531280378668 0.11219981202996 63.546 > 19 45 Cu 0.02419314316110 0.24009190210753 0.38856126496952 63.546 > 21 46 Cu 0.02419314316110 0.74009190210753 0.38856126496952 63.546 > 21 47 Cu 0.00429698073777 0.01997341187575 0.38839749592679 63.546 > 23 48 Cu 0.00429698073777 0.51997341187575 0.38839749592679 63.546 > 23 49 P 0.74981104621046 0.12505853857699 0.37514036501649 30.974 > 49 50 P 0.74981104621046 0.62505853857699 0.37514036501649 30.974 > 49 51 P 0.74981104621046 0.37494146142301 0.87514036501649 30.974 > 51 52 P 0.74981104621046 0.87494146142301 0.87514036501649 30.974 > 51 53 P 0.24981104621046 0.37505853857699 0.37514036501649 30.974 > 49 54 P 0.24981104621046 0.87505853857699 0.37514036501649 30.974 > 49 55 P 0.24981104621046 0.12494146142301 0.87514036501649 30.974 > 51 56 P 0.24981104621046 0.62494146142301 0.87514036501649 30.974 > 51 57 S 0.31210665841790 0.37504863464542 0.56217627935140 32.065 > 57 58 S 0.31210665841790 0.87504863464542 0.56217627935140 32.065 > 57 59 S 0.31210665841790 0.12495136535458 0.06217627935139 32.065 > 59 60 S 0.31210665841790 0.62495136535458 0.06217627935139 32.065 > 59 61 S 0.80234818847006 0.49638050728204 0.31065858850152 32.065 > 61 62 S 0.80234818847006 0.99638050728204 0.31065858850152 32.065 > 61 63 S 0.56260293639510 0.36602402565735 0.81081700218584 32.065 > 63 64 S 0.56260293639510 0.86602402565736 0.81081700218584 32.065 > 63 65 S 0.56260293639510 0.13397597434264 0.31081700218584 32.065 > 65 66 S 0.56260293639510 0.63397597434264 0.31081700218584 32.065 > 65 67 S 0.80234818847006 0.00361949271796 0.81065858850152 32.065 > 67 68 S 0.80234818847006 0.50361949271796 0.81065858850152 32.065 > 67 69 S 0.32024453169392 0.49483897172554 0.31074024071430 32.065 > 69 70 S 0.32024453169392 0.99483897172554 0.31074024071430 32.065 > 69 71 S 0.63076197630795 0.12498156769086 0.01772978452156 32.065 > 71 72 S 0.63076197630795 0.62498156769086 0.01772978452156 32.065 > 71 73 S 0.63076197630795 0.37501843230914 0.51772978452156 32.065 > 73 74 S 0.63076197630795 0.87501843230914 0.51772978452156 32.065 > 73 75 S 0.32024453169392 0.00516102827446 0.81074024071430 32.065 > 75 76 S 0.32024453169392 0.50516102827446 0.81074024071430 32.065 > 75 77 S 0.81210665841790 0.12504863464542 0.56217627935140 32.065 > 57 78 S 0.81210665841790 0.62504863464542 0.56217627935140 32.065 > 57 79 S 0.81210665841790 0.37495136535458 0.06217627935139 32.065 > 59 80 S 0.81210665841790 0.87495136535458 0.06217627935139 32.065 > 59 81 S 0.30234818847006 0.24638050728204 0.31065858850152 32.065 > 61 82 S 0.30234818847006 0.74638050728204 0.31065858850152 32.065 > 61 83 S 0.06260293639510 0.11602402565736 0.81081700218584 32.065 > 63 84 S 0.06260293639510 0.61602402565736 0.81081700218584 32.065 > 63 85 S 0.06260293639510 0.38397597434265 0.31081700218584 32.065 > 65 86 S 0.06260293639510 0.88397597434264 0.31081700218584 32.065 > 65 87 S 0.30234818847006 0.25361949271796 0.81065858850152 32.065 > 67 88 S 0.30234818847006 0.75361949271796 0.81065858850152 32.065 > 67 89 S 0.82024453169392 0.24483897172554 0.31074024071430 32.065 > 69 90 S 0.82024453169392 0.74483897172554 0.31074024071430 32.065 > 69 91 S 0.13076197630795 0.37498156769086 0.01772978452156 32.065 > 71 92 S 0.13076197630795 0.87498156769086 0.01772978452156 32.065 > 71 93 S 0.13076197630795 0.12501843230914 0.51772978452156 32.065 > 73 94 S 0.13076197630795 0.62501843230914 0.51772978452156 32.065 > 73 95 S 0.82024453169392 0.25516102827446 0.81074024071430 32.065 > 75 96 S 0.82024453169392 0.75516102827446 0.81074024071430 32.065 > 75 97 Br 0.50076586162148 0.37487254923417 0.12786554545872 79.904 > 97 98 Br 0.50076586162148 0.87487254923417 0.12786554545872 79.904 > 97 99 Br 0.50076586162148 0.12512745076583 0.62786554545872 79.904 > 99 100 Br 0.50076586162148 0.62512745076583 0.62786554545872 79.904 > 99 101 Br 0.00076586162148 0.12487254923417 0.12786554545872 79.904 > 97 102 Br 0.00076586162148 0.62487254923417 0.12786554545872 79.904 > 97 103 Br 0.00076586162148 0.37512745076583 0.62786554545872 79.904 > 99 104 Br 0.00076586162148 0.87512745076583 0.62786554545872 79.904 > 99 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.3722622 0.0000000 0.0031565 0.0000000 9.8211278 0.0000000 0.0031783 0.0000000 9.2869346 -------------------------- Born effective charges -------------------------- 1 Cu 0.5707008 -0.0757333 0.0612567 -0.0574565 0.6660323 -0.1107023 -0.0031743 -0.0512105 0.7070894 2 Cu 0.9467201 -0.3636246 -0.0832642 -0.3618464 0.8936482 0.1412635 -0.0799743 0.0401310 0.6105090 3 Cu 0.6642355 0.0016495 -0.1048722 0.0213412 0.6539389 -0.0118242 -0.0499591 0.0321130 0.7095597 4 Cu 0.9467201 0.3636246 -0.0832642 0.3618464 0.8936482 -0.1412635 -0.0799743 -0.0401310 0.6105090 5 Cu 0.5496307 0.0356782 0.0390880 0.0453798 0.7029152 0.1243083 0.0439239 0.0286468 0.7046341 6 Cu 0.6642355 -0.0016495 -0.1048722 -0.0213412 0.6539389 0.0118242 -0.0499591 -0.0321130 0.7095597 7 Cu 0.5474973 0.1383085 -0.0855653 0.1326284 1.2881938 -0.1465631 0.0018104 -0.0903465 0.6086995 8 Cu 1.1823287 -0.2314015 0.1671398 -0.2346670 0.6562384 0.0147598 0.0748324 -0.0514396 0.6134231 9 Cu 1.1823287 0.2314015 0.1671398 0.2346670 0.6562384 -0.0147598 0.0748324 0.0514396 0.6134231 10 Cu 0.5474973 -0.1383085 -0.0855653 -0.1326284 1.2881938 0.1465631 0.0018104 0.0903465 0.6086995 11 Cu 0.5496307 -0.0356782 0.0390880 -0.0453798 0.7029152 -0.1243083 0.0439239 -0.0286468 0.7046341 12 Cu 0.5707008 0.0757333 0.0612567 0.0574565 0.6660323 0.1107023 -0.0031743 0.0512105 0.7070894 13 P 2.9473318 0.2848461 0.0016438 -0.2937951 2.9777001 0.0049244 0.0006333 0.0033458 2.6936251 14 P 2.9473318 -0.2848461 0.0016438 0.2937951 2.9777001 -0.0049244 0.0006333 -0.0033458 2.6936251 15 S -0.6071158 -0.1794403 -0.0019582 0.1812955 -0.5836334 0.0074153 0.0032837 0.0028180 -2.5618369 16 S -0.6071158 0.1794403 -0.0019582 -0.1812955 -0.5836334 -0.0074153 0.0032837 -0.0028180 -2.5618369 17 S -0.9472918 0.5326761 0.2132573 0.7562498 -1.9588590 -0.5767919 0.2805828 -0.5874005 -0.6324955 18 S -2.0764414 0.0606041 -0.5644194 -0.1003737 -0.5939553 -0.0664100 -0.6502417 -0.0538893 -0.6372399 19 S -2.0764414 -0.0606041 -0.5644194 0.1003737 -0.5939553 0.0664100 -0.6502417 0.0538893 -0.6372399 20 S -0.9472918 -0.5326761 0.2132573 -0.7562498 -1.9588590 0.5767919 0.2805828 0.5874005 -0.6324955 21 S -1.0027504 -0.7391617 0.3550475 -0.6191468 -1.9267547 0.5071001 0.3802157 0.5452972 -0.6430573 22 S -0.9815393 -0.1145037 0.0013218 0.1185284 -0.9841326 0.0011770 -0.0014066 -0.0014572 -0.7176433 23 S -0.9815393 0.1145037 0.0013218 -0.1185284 -0.9841326 -0.0011770 -0.0014066 0.0014572 -0.7176433 24 S -1.0027504 0.7391617 0.3550475 0.6191468 -1.9267547 -0.5071001 0.3802157 -0.5452972 -0.6430573 25 Br -1.7933061 0.0527546 0.0013243 -0.0560484 -1.7913318 0.0029686 -0.0005262 0.0027994 -1.4552670 26 Br -1.7933061 -0.0527546 0.0013243 0.0560484 -1.7913318 -0.0029686 -0.0005262 -0.0027994 -1.4552670 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 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: 0.55, Number of G-points: 325, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/115) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 115 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 1.189 ( 0.000 0.000 0.000) 0.000 1.195 ( 0.000 0.000 0.000) 0.000 1.345 ( 0.000 0.000 -0.000) 0.000 1.347 ( 0.000 0.000 0.000) 0.000 1.536 ( 0.000 0.000 0.000) 0.000 1.541 ( 0.000 0.000 0.000) 0.000 1.649 ( 0.000 0.000 0.000) 0.000 1.678 ( 0.000 0.000 0.000) 0.000 1.893 ( 0.000 0.000 0.000) 0.000 1.894 ( 0.000 0.000 0.000) 0.000 1.930 ( 0.000 0.000 0.000) 0.000 2.071 ( 0.000 0.000 0.000) 0.000 2.082 ( 0.000 0.000 0.000) 0.000 2.113 ( 0.000 0.000 0.000) 0.000 2.183 ( 0.000 0.000 0.000) 0.000 2.188 ( 0.000 0.000 0.000) 0.000 2.283 ( 0.000 0.000 0.000) 0.000 2.283 ( 0.000 0.000 0.000) 0.000 2.513 ( 0.000 0.000 0.000) 0.000 2.545 ( 0.000 0.000 0.000) 0.000 2.674 ( 0.000 0.000 0.000) 0.000 2.831 ( 0.000 0.000 0.000) 0.000 2.982 ( 0.000 0.000 0.000) 0.000 2.988 ( 0.000 0.000 0.000) 0.000 3.203 ( 0.000 0.000 0.000) 0.000 3.211 ( 0.000 0.000 0.000) 0.000 3.332 ( 0.000 0.000 -0.000) 0.000 3.349 ( 0.000 0.000 0.000) 0.000 3.694 ( 0.000 0.000 0.000) 0.000 3.699 ( 0.000 0.000 0.000) 0.000 3.765 ( 0.000 0.000 0.000) 0.000 3.769 ( 0.000 0.000 0.000) 0.000 3.937 ( 0.000 0.000 -0.000) 0.000 4.167 ( 0.000 0.000 0.000) 0.000 4.173 ( 0.000 0.000 0.000) 0.000 4.371 ( 0.000 0.000 0.000) 0.000 4.372 ( 0.000 0.000 0.000) 0.000 4.839 ( 0.000 0.000 0.000) 0.000 5.035 ( 0.000 0.000 -0.000) 0.000 5.469 ( 0.000 0.000 0.000) 0.000 5.666 ( 0.000 0.000 0.000) 0.000 5.668 ( 0.000 0.000 0.000) 0.000 5.813 ( 0.000 0.000 -0.000) 0.000 5.831 ( 0.000 0.000 0.000) 0.000 6.485 ( 0.000 0.000 0.000) 0.000 7.643 ( 0.000 0.000 -0.000) 0.000 7.644 ( 0.000 0.000 0.000) 0.000 7.953 ( 0.000 0.000 0.000) 0.000 7.953 ( 0.000 0.000 -0.000) 0.000 8.186 ( 0.000 0.000 -0.000) 0.000 8.240 ( 0.000 0.000 -0.000) 0.000 8.510 ( 0.000 0.000 0.000) 0.000 8.929 ( 0.000 0.000 0.000) 0.000 8.931 ( 0.000 0.000 0.000) 0.000 9.135 ( 0.000 0.000 0.000) 0.000 9.138 ( 0.000 0.000 0.000) 0.000 9.223 ( 0.000 0.000 0.000) 0.000 9.743 ( 0.000 0.000 0.000) 0.000 9.755 ( 0.000 0.000 0.000) 0.000 9.767 ( 0.000 0.000 0.000) 0.000 9.786 ( 0.000 0.000 -0.000) 0.000 9.799 ( 0.000 0.000 -0.000) 0.000 10.003 ( 0.000 0.000 0.000) 0.000 10.049 ( 0.000 0.000 0.000) 0.000 10.057 ( 0.000 0.000 0.000) 0.000 10.116 ( 0.000 0.000 0.000) 0.000 10.123 ( 0.000 0.000 0.000) 0.000 11.955 ( 0.000 0.000 0.000) 0.000 12.656 ( 0.000 0.000 0.000) 0.000 15.595 ( 0.000 0.000 0.000) 0.000 15.603 ( 0.000 0.000 0.000) 0.000 15.662 ( 0.000 0.000 0.000) 0.000 15.758 ( 0.000 0.000 0.000) 0.000 15.759 ( 0.000 0.000 0.000) 0.000 16.198 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/115) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( 8.912 -18.919 8.581) 22.605 0.495 ( 15.928 -17.841 5.722) 24.592 0.911 ( 17.820 -36.690 3.074) 40.905 1.213 ( 2.332 -1.931 -0.211) 3.035 1.240 ( 0.207 -3.989 -1.255) 4.187 1.310 ( -1.882 2.803 -0.073) 3.377 1.329 ( -0.689 1.577 1.728) 2.438 1.498 ( -1.715 2.842 -1.471) 3.631 1.513 ( -0.387 2.071 -0.056) 2.108 1.673 ( 0.944 -0.964 2.795) 3.104 1.692 ( 0.561 -1.299 0.618) 1.544 1.854 ( -1.143 2.830 0.891) 3.180 1.917 ( -0.880 1.324 -1.726) 2.347 1.937 ( -0.041 -0.208 0.075) 0.225 2.069 ( 0.386 0.995 -2.313) 2.548 2.082 ( -0.912 1.709 0.207) 1.948 2.139 ( 2.080 -4.818 -0.842) 5.315 2.200 ( 0.509 -1.299 2.161) 2.573 2.215 ( 1.232 -1.315 1.662) 2.452 2.304 ( 0.282 -1.914 0.514) 2.002 2.322 ( 1.941 -2.437 -0.247) 3.126 2.558 ( 0.216 -0.901 0.104) 0.932 2.582 ( 2.556 -5.533 0.069) 6.095 2.696 ( 0.814 -2.158 -0.869) 2.465 2.838 ( 0.096 -0.581 0.047) 0.591 2.964 ( -1.745 1.681 1.839) 3.042 3.004 ( 1.607 -1.785 -1.515) 2.839 3.220 ( -0.036 -0.582 -1.674) 1.773 3.236 ( 1.391 -2.296 0.902) 2.832 3.344 ( 0.812 -1.742 0.854) 2.103 3.401 ( 2.571 -4.593 -1.068) 5.371 3.697 ( -0.362 0.572 0.554) 0.875 3.707 ( -0.043 0.191 -0.815) 0.838 3.753 ( -0.119 1.090 1.179) 1.610 3.891 ( -0.331 0.996 -3.849) 3.989 3.927 ( -0.154 -0.282 -1.502) 1.536 4.197 ( 1.066 -1.791 -0.806) 2.234 4.221 ( 1.575 -2.471 1.699) 3.387 4.369 ( 0.204 0.539 0.453) 0.733 4.393 ( 0.960 -2.018 -0.888) 2.404 4.800 ( -2.042 3.525 0.770) 4.146 5.033 ( -0.336 0.457 0.016) 0.568 5.465 ( -0.375 0.234 1.795) 1.848 5.703 ( 2.736 -2.416 1.113) 3.816 5.772 ( 1.719 -6.762 -1.095) 7.063 5.844 ( 3.333 -1.919 -0.885) 3.947 5.903 ( 1.655 -7.150 0.327) 7.347 6.440 ( -2.107 3.355 -2.939) 4.933 7.658 ( 0.676 -1.070 0.964) 1.591 7.669 ( 0.718 -2.149 -0.053) 2.266 7.945 ( -0.103 0.483 -1.572) 1.648 7.955 ( -0.289 -0.321 0.039) 0.433 8.212 ( 1.163 -2.364 0.131) 2.637 8.264 ( 1.068 -2.190 -0.166) 2.442 8.513 ( 0.092 -0.180 1.669) 1.681 8.942 ( 0.626 -0.801 0.448) 1.111 8.945 ( 0.498 -0.818 0.644) 1.155 9.137 ( 0.105 -0.099 -0.875) 0.887 9.150 ( 0.171 0.216 0.113) 0.298 9.203 ( -0.679 1.667 -1.861) 2.589 9.714 ( -1.933 3.005 0.678) 3.636 9.723 ( -1.475 2.847 0.245) 3.216 9.744 ( -0.805 2.172 0.116) 2.319 9.763 ( -2.140 2.084 -0.009) 2.987 9.805 ( 0.408 1.511 0.026) 1.565 9.992 ( -0.482 0.995 -0.265) 1.137 10.059 ( 0.404 -0.757 0.116) 0.866 10.070 ( 0.575 -0.943 0.139) 1.113 10.133 ( 0.326 -1.098 -0.238) 1.170 10.145 ( 0.414 -0.211 -0.410) 0.620 11.924 ( -1.634 2.931 1.486) 3.670 12.580 ( -3.734 6.576 -1.231) 7.661 15.558 ( -0.618 3.059 -0.129) 3.124 15.604 ( 0.651 1.426 0.832) 1.775 15.632 ( -1.670 2.668 0.219) 3.155 15.744 ( 0.800 2.008 -0.293) 2.181 16.149 ( -0.416 -3.876 -0.201) 3.904 16.223 ( -0.229 -3.181 -0.559) 3.237 ======================= Grid point 2 (3/115) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 7.770 -15.286 6.913) 18.488 0.903 ( 10.820 -13.414 3.391) 17.564 1.175 ( -2.156 1.687 0.186) 2.744 1.203 ( -1.197 3.253 -0.011) 3.466 1.252 ( -1.853 1.525 0.625) 2.479 1.296 ( 0.397 0.533 -0.509) 0.837 1.428 ( -1.660 0.250 -0.476) 1.745 1.452 ( 1.505 1.171 -0.436) 1.956 1.589 ( 2.985 -5.828 1.859) 6.807 1.724 ( 1.625 -1.437 0.251) 2.183 1.775 ( 1.433 -3.869 2.289) 4.719 1.808 ( -0.422 1.773 0.711) 1.956 1.927 ( 4.707 -3.321 0.173) 5.763 1.940 ( -0.164 -4.854 -0.041) 4.857 2.033 ( -0.027 0.937 -0.493) 1.059 2.088 ( 2.988 -4.258 -2.757) 5.888 2.205 ( 0.113 -0.738 -3.884) 3.955 2.251 ( 1.665 -1.794 2.303) 3.361 2.278 ( 2.128 -4.347 4.128) 6.361 2.339 ( 0.348 -1.640 0.690) 1.813 2.394 ( 2.264 -3.555 -0.576) 4.254 2.574 ( 0.109 -0.757 1.186) 1.411 2.696 ( 1.973 -4.518 -1.131) 5.058 2.736 ( 0.344 -1.770 -0.946) 2.036 2.844 ( -0.055 -0.168 -1.210) 1.223 2.925 ( -1.805 1.449 3.224) 3.969 3.073 ( 2.961 -4.323 -1.266) 5.391 3.235 ( 1.139 -2.820 -0.614) 3.102 3.308 ( 1.160 -3.457 1.967) 4.143 3.426 ( 3.046 -5.421 -0.828) 6.273 3.504 ( 2.262 -3.749 -0.453) 4.402 3.682 ( 0.424 0.139 0.758) 0.879 3.701 ( -0.207 -0.156 -0.993) 1.027 3.752 ( 0.498 -0.057 1.278) 1.373 3.858 ( -0.452 1.082 -2.427) 2.695 3.958 ( 1.913 -3.738 -4.135) 5.893 4.223 ( 0.520 -0.738 -1.356) 1.629 4.281 ( 0.791 -1.492 1.982) 2.604 4.373 ( 0.959 -0.898 1.352) 1.885 4.448 ( 1.581 -3.311 -1.448) 3.944 4.702 ( -3.177 5.367 2.303) 6.649 5.000 ( -1.570 2.564 -0.976) 3.161 5.486 ( 0.749 -1.947 2.808) 3.498 5.796 ( 4.096 -3.815 2.378) 6.082 5.922 ( 4.838 -2.997 -2.127) 6.076 5.944 ( 4.074 -10.718 -1.491) 11.563 6.071 ( 2.195 -8.683 0.496) 8.970 6.332 ( -2.998 3.703 -4.620) 6.636 7.696 ( 1.175 -1.758 1.821) 2.791 7.729 ( 1.435 -3.836 0.061) 4.096 7.925 ( -0.324 0.807 -2.887) 3.015 7.958 ( -0.308 -0.311 0.142) 0.460 8.283 ( 1.982 -4.215 0.292) 4.667 8.326 ( 1.760 -3.484 -0.306) 3.916 8.539 ( 0.989 -1.861 2.812) 3.514 8.965 ( 0.442 -0.667 2.435) 2.563 8.976 ( 1.167 -1.682 -0.632) 2.142 9.133 ( -0.662 0.933 -1.859) 2.183 9.138 ( -0.537 1.657 -0.086) 1.744 9.154 ( -0.049 1.175 -2.217) 2.510 9.630 ( -2.749 4.541 0.806) 5.369 9.638 ( -2.518 4.452 -0.007) 5.114 9.676 ( -1.696 4.134 0.035) 4.469 9.691 ( -2.470 3.960 -0.146) 4.670 9.795 ( 0.375 0.242 1.117) 1.203 9.961 ( -0.802 1.640 -0.610) 1.925 10.077 ( 0.161 -0.895 0.407) 0.997 10.094 ( 0.840 -0.881 0.235) 1.240 10.149 ( -0.118 -0.363 -0.371) 0.532 10.155 ( 0.750 -0.759 -0.390) 1.136 11.847 ( -2.419 4.372 2.563) 5.616 12.376 ( -6.233 10.874 -2.218) 12.729 15.488 ( -1.373 3.950 -0.233) 4.188 15.553 ( -2.387 3.937 -0.758) 4.666 15.584 ( 2.181 2.951 1.930) 4.146 15.708 ( 1.331 3.180 -0.875) 3.557 16.223 ( -0.283 -4.828 1.339) 5.018 16.286 ( -0.885 -5.016 -1.300) 5.256 ======================= Grid point 3 (4/115) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 1.329 -2.024 2.437) 3.435 1.097 ( 0.597 0.065 0.448) 0.750 1.139 ( 0.093 -4.267 1.130) 4.415 1.175 ( 2.272 -0.122 0.637) 2.363 1.234 ( -1.287 -2.421 0.252) 2.754 1.267 ( 1.268 1.880 -0.173) 2.274 1.441 ( 0.194 -3.142 1.002) 3.304 1.469 ( 2.861 -0.946 1.735) 3.477 1.616 ( -0.122 0.869 0.593) 1.059 1.735 ( -0.122 1.269 -0.949) 1.589 1.757 ( -0.969 1.525 0.528) 1.882 1.784 ( -0.227 0.673 0.250) 0.753 1.938 ( 1.193 1.907 2.396) 3.286 1.951 ( -2.327 0.369 1.780) 2.953 2.047 ( 0.366 -0.572 -4.378) 4.430 2.136 ( -1.998 5.071 -6.220) 8.270 2.297 ( 1.581 -1.995 1.548) 2.979 2.355 ( 1.094 -2.711 0.539) 2.973 2.396 ( 2.308 -5.092 3.695) 6.701 2.405 ( 5.658 -8.903 1.207) 10.617 2.473 ( 2.424 -4.519 0.172) 5.131 2.598 ( 0.491 -1.034 2.642) 2.880 2.736 ( 0.046 0.429 -0.849) 0.953 2.747 ( -0.737 -0.691 -2.787) 2.965 2.848 ( 0.852 -1.350 -3.249) 3.620 2.910 ( -1.047 0.474 4.330) 4.480 3.181 ( 2.960 -5.500 0.322) 6.254 3.352 ( 1.011 -2.312 1.503) 2.937 3.374 ( 3.206 -7.833 1.811) 8.656 3.541 ( 3.080 -4.127 -1.286) 5.308 3.569 ( 2.126 -2.991 -0.169) 3.674 3.697 ( 0.204 -0.807 0.037) 0.833 3.709 ( 0.663 -0.374 0.392) 0.856 3.766 ( 0.614 -0.427 0.359) 0.830 3.837 ( -0.266 0.003 -1.240) 1.269 4.035 ( 1.850 -3.493 -7.059) 8.091 4.227 ( 0.161 -0.209 -2.069) 2.086 4.280 ( -0.879 1.417 1.573) 2.292 4.437 ( 2.004 -3.422 2.033) 4.456 4.506 ( 0.988 -2.418 -1.304) 2.919 4.610 ( -1.835 2.935 4.728) 5.859 4.907 ( -3.046 5.259 -1.944) 6.381 5.566 ( 2.082 -4.659 4.119) 6.558 5.905 ( 3.454 -3.084 3.237) 5.650 5.999 ( 4.534 -0.927 -2.289) 5.163 6.082 ( -3.612 4.025 -6.111) 8.161 6.177 ( 5.066 -11.792 -2.549) 13.085 6.361 ( 1.432 -7.353 1.393) 7.620 7.746 ( 1.350 -1.944 2.543) 3.473 7.817 ( 1.772 -4.472 0.188) 4.815 7.894 ( -0.649 0.998 -3.394) 3.596 7.961 ( 0.057 -0.130 -0.118) 0.184 8.379 ( 1.977 -4.363 0.399) 4.806 8.399 ( 1.632 -3.099 -0.070) 3.503 8.622 ( 2.580 -4.879 2.930) 6.248 8.986 ( 0.365 -0.493 1.468) 1.591 9.013 ( 0.942 -1.695 -0.635) 2.041 9.049 ( -1.957 4.542 -1.694) 5.228 9.124 ( -0.719 0.435 -2.096) 2.258 9.137 ( 0.035 1.405 0.097) 1.409 9.525 ( -3.260 4.298 0.402) 5.409 9.546 ( -1.582 4.187 0.298) 4.486 9.589 ( -2.017 4.018 0.183) 4.499 9.601 ( -2.040 3.492 -0.362) 4.060 9.808 ( 0.624 -0.625 1.568) 1.799 9.921 ( -0.955 1.865 -1.003) 2.323 10.092 ( -0.096 -0.611 0.715) 0.945 10.110 ( 0.375 -0.221 0.012) 0.436 10.153 ( 0.292 -0.199 -0.321) 0.478 10.169 ( 0.241 -0.494 -0.426) 0.695 11.771 ( -1.548 2.888 3.050) 4.477 12.115 ( -6.522 11.395 -2.740) 13.412 15.412 ( -0.742 3.595 0.379) 3.690 15.462 ( -2.319 3.590 -1.276) 4.460 15.571 ( 2.476 1.997 2.299) 3.925 15.662 ( 1.017 3.195 -1.483) 3.666 16.301 ( -0.150 -3.925 1.942) 4.382 16.350 ( -1.394 -4.365 -1.771) 4.912 ======================= Grid point 4 (5/115) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -0.588 -0.628 -0.386) 0.943 1.107 ( 0.628 1.047 1.156) 1.682 1.144 ( -0.843 0.188 0.926) 1.266 1.181 ( -0.037 1.232 -0.390) 1.293 1.267 ( 0.291 -2.360 -2.032) 3.128 1.292 ( 0.470 0.314 0.846) 1.018 1.514 ( 1.410 -2.149 1.126) 2.805 1.533 ( 1.316 -1.795 2.131) 3.082 1.624 ( 1.423 -2.143 0.876) 2.718 1.693 ( -1.140 2.370 -1.686) 3.124 1.742 ( 0.237 -0.452 0.585) 0.776 1.769 ( -0.579 1.153 0.052) 1.291 1.903 ( -0.111 1.144 3.875) 4.041 1.955 ( -2.318 2.102 -1.208) 3.354 2.011 ( -1.047 0.168 -2.349) 2.578 2.045 ( 1.078 1.576 -3.532) 4.015 2.337 ( 0.729 -0.968 0.697) 1.398 2.375 ( -0.102 -0.257 -0.147) 0.313 2.468 ( 0.865 -1.528 2.161) 2.785 2.492 ( 0.760 -1.156 -0.730) 1.564 2.592 ( 1.429 -3.184 1.068) 3.650 2.624 ( 0.373 -0.059 1.601) 1.645 2.714 ( -0.405 1.106 1.072) 1.592 2.733 ( -0.329 0.058 -2.951) 2.969 2.877 ( 0.992 -2.005 -3.993) 4.577 2.906 ( -0.766 0.913 3.926) 4.103 3.295 ( 1.932 -4.354 -0.278) 4.772 3.353 ( -0.807 1.114 0.817) 1.600 3.559 ( 2.397 -4.806 1.605) 5.605 3.599 ( 1.465 -0.865 1.001) 1.974 3.641 ( 2.143 -3.526 -0.032) 4.127 3.700 ( -0.938 0.822 0.213) 1.265 3.734 ( 1.435 -1.641 -0.296) 2.200 3.769 ( -0.320 0.737 -0.187) 0.825 3.868 ( 2.030 -3.899 0.936) 4.494 3.996 ( -2.741 4.662 -5.948) 8.039 4.225 ( 0.155 -0.248 -1.967) 1.988 4.253 ( -0.762 1.017 1.372) 1.870 4.511 ( 1.472 -2.279 1.679) 3.190 4.541 ( 0.214 -0.820 -1.199) 1.469 4.629 ( 1.834 -3.654 4.971) 6.436 4.765 ( -3.626 6.510 -3.195) 8.108 5.702 ( 2.947 -6.735 5.198) 9.003 5.872 ( -2.873 7.437 -4.872) 9.343 6.013 ( 1.825 -0.913 3.127) 3.734 6.050 ( 0.350 -1.070 -4.242) 4.389 6.380 ( 3.774 -7.415 -3.122) 8.886 6.456 ( -0.588 -1.156 3.052) 3.316 7.800 ( 1.269 -1.727 3.059) 3.735 7.849 ( -1.006 1.211 -3.306) 3.662 7.908 ( 1.314 -3.309 0.361) 3.578 7.955 ( -0.198 1.074 -0.449) 1.181 8.446 ( 0.887 -1.605 0.074) 1.835 8.454 ( 0.736 -1.703 0.234) 1.870 8.758 ( 3.396 -6.420 2.668) 7.737 8.913 ( -3.115 5.930 -3.123) 7.391 9.025 ( 1.243 -0.939 2.354) 2.823 9.050 ( 0.160 -1.737 -0.503) 1.816 9.091 ( -0.627 1.376 -2.413) 2.848 9.106 ( -0.814 1.862 0.858) 2.206 9.449 ( -1.401 1.745 0.121) 2.241 9.482 ( -0.707 1.855 0.169) 1.992 9.526 ( -0.930 1.474 0.079) 1.745 9.545 ( -0.649 1.428 -0.146) 1.575 9.836 ( 0.834 -1.271 1.563) 2.181 9.877 ( -0.950 1.708 -1.336) 2.368 10.100 ( -0.096 -0.281 0.656) 0.720 10.110 ( -0.015 0.158 -0.397) 0.428 10.159 ( 0.368 -0.108 -0.026) 0.384 10.173 ( -0.065 -0.169 -0.233) 0.295 11.766 ( 1.055 -1.769 3.018) 3.653 11.888 ( -4.369 7.684 -2.894) 9.302 15.369 ( 0.277 1.386 0.765) 1.607 15.395 ( -1.403 1.511 -1.099) 2.336 15.581 ( 1.517 0.091 2.076) 2.573 15.617 ( -0.099 1.905 -1.798) 2.622 16.354 ( 0.170 -1.476 1.315) 1.984 16.385 ( -0.887 -1.719 -1.232) 2.293 ======================= Grid point 10 (6/115) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( 18.300 0.000 10.635) 21.166 0.449 ( 21.339 0.000 3.584) 21.638 0.968 ( 39.700 0.000 12.342) 41.574 1.195 ( 1.268 0.000 -1.803) 2.204 1.235 ( 4.035 0.000 -1.096) 4.181 1.317 ( -3.519 -0.000 1.787) 3.946 1.321 ( -2.581 -0.000 -0.182) 2.587 1.500 ( -2.846 -0.000 -2.109) 3.543 1.515 ( -1.686 -0.000 -0.304) 1.713 1.690 ( 1.037 0.000 0.205) 1.057 1.693 ( 0.268 0.000 5.426) 5.433 1.850 ( -3.176 -0.000 -0.405) 3.202 1.924 ( -0.397 -0.000 -0.544) 0.674 1.943 ( 0.504 0.000 1.383) 1.472 2.080 ( -1.429 -0.000 -0.275) 1.455 2.086 ( -0.603 -0.000 -0.492) 0.778 2.110 ( 4.291 0.000 -3.965) 5.842 2.211 ( 0.571 0.000 3.008) 3.062 2.214 ( 1.728 0.000 1.566) 2.332 2.303 ( 1.697 0.000 0.643) 1.815 2.331 ( 3.765 0.000 1.046) 3.908 2.551 ( 0.146 0.000 -0.258) 0.296 2.573 ( 5.236 0.000 0.358) 5.248 2.687 ( 1.977 0.000 -1.799) 2.673 2.838 ( 0.462 0.000 0.723) 0.858 2.945 ( -3.057 -0.000 -1.006) 3.219 3.024 ( 2.731 0.000 2.202) 3.508 3.214 ( 1.261 0.000 -2.813) 3.082 3.236 ( 1.277 0.000 1.119) 1.698 3.348 ( 2.000 0.000 1.984) 2.817 3.391 ( 5.004 0.000 -3.078) 5.874 3.689 ( -0.617 -0.000 -0.567) 0.838 3.714 ( -0.014 -0.000 0.592) 0.592 3.747 ( -1.400 -0.000 -1.530) 2.074 3.891 ( 0.715 0.000 -3.484) 3.556 3.923 ( 0.307 0.000 -1.756) 1.783 4.203 ( 2.133 0.000 1.914) 2.866 4.220 ( 3.258 0.000 -1.137) 3.451 4.358 ( -0.925 -0.000 -1.449) 1.720 4.402 ( 3.044 0.000 0.274) 3.057 4.804 ( -3.981 -0.000 1.428) 4.229 5.031 ( -0.897 -0.000 -0.221) 0.924 5.472 ( -1.037 -0.000 3.423) 3.576 5.690 ( 2.078 0.000 0.242) 2.092 5.776 ( 8.434 0.000 0.940) 8.486 5.850 ( 2.039 0.000 -0.155) 2.045 5.885 ( 7.248 0.000 -1.543) 7.410 6.428 ( -3.386 -0.000 -5.150) 6.164 7.646 ( 0.132 0.000 0.345) 0.369 7.678 ( 2.773 0.000 1.536) 3.170 7.944 ( 0.175 0.000 -2.159) 2.166 7.946 ( -0.578 -0.000 -0.364) 0.683 8.210 ( 2.346 0.000 0.199) 2.355 8.261 ( 2.183 0.000 -0.289) 2.202 8.521 ( 0.063 0.000 3.144) 3.144 8.935 ( -0.026 -0.000 -0.226) 0.228 8.960 ( 2.180 0.000 2.278) 3.153 9.142 ( 0.630 0.000 0.173) 0.653 9.142 ( -0.645 -0.000 -2.460) 2.543 9.202 ( -0.789 -0.000 -2.733) 2.845 9.714 ( -3.596 -0.000 0.667) 3.658 9.737 ( -3.352 -0.000 0.118) 3.354 9.737 ( -2.138 -0.000 0.757) 2.269 9.759 ( -2.394 -0.000 -0.074) 2.395 9.818 ( -0.596 -0.000 0.385) 0.710 9.992 ( -0.845 -0.000 -0.398) 0.934 10.062 ( 1.094 0.000 0.162) 1.106 10.066 ( 0.786 0.000 0.234) 0.820 10.125 ( 0.849 0.000 -0.059) 0.851 10.149 ( 0.821 0.000 -1.085) 1.361 11.932 ( -3.312 -0.000 2.855) 4.373 12.575 ( -7.338 -0.000 -2.465) 7.741 15.589 ( -1.651 -0.000 0.106) 1.654 15.603 ( -0.188 -0.000 0.484) 0.520 15.642 ( -3.113 -0.000 1.440) 3.430 15.741 ( -1.730 -0.000 -0.088) 1.732 16.127 ( 3.860 0.000 -1.716) 4.224 16.201 ( 1.184 0.000 -0.172) 1.197 ======================= Grid point 11 (7/115) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 13.479 -10.455 9.280) 19.419 0.815 ( 13.630 -13.279 3.068) 19.274 1.173 ( -0.681 0.448 0.354) 0.889 1.228 ( -3.862 3.015 -0.102) 4.901 1.277 ( 1.162 0.761 -0.393) 1.443 1.302 ( 1.006 -1.262 0.321) 1.646 1.422 ( 1.095 -1.041 0.294) 1.539 1.476 ( 4.912 -1.159 -0.077) 5.048 1.519 ( 6.391 -5.946 1.763) 8.906 1.709 ( 0.874 -1.061 0.477) 1.455 1.742 ( 4.198 -3.037 2.910) 5.942 1.813 ( -2.359 0.655 -0.234) 2.459 1.905 ( -0.180 0.539 -0.689) 0.893 1.961 ( 4.512 -0.408 2.834) 5.344 2.052 ( -0.293 1.179 0.702) 1.404 2.085 ( 2.726 0.201 -2.676) 3.825 2.166 ( 2.070 -2.716 -4.464) 5.620 2.251 ( 1.621 -2.669 4.106) 5.159 2.257 ( 1.746 -2.111 1.483) 3.115 2.328 ( 2.107 -0.850 0.765) 2.397 2.384 ( 3.886 -1.029 0.555) 4.058 2.558 ( -0.388 -1.168 -0.031) 1.231 2.655 ( 4.460 -3.040 -0.073) 5.398 2.713 ( 1.576 -1.290 -2.069) 2.903 2.851 ( 1.337 -0.119 0.582) 1.463 2.911 ( -3.659 -0.337 0.201) 3.680 3.058 ( 2.757 -0.216 1.326) 3.067 3.217 ( 1.316 -0.405 -1.290) 1.887 3.267 ( 0.924 -1.814 0.726) 2.161 3.406 ( 5.482 -2.368 1.313) 6.114 3.472 ( 5.218 -3.826 -2.217) 6.839 3.677 ( -1.085 -0.163 -0.906) 1.423 3.708 ( 0.187 0.749 0.631) 0.997 3.748 ( -0.685 -1.279 -0.565) 1.557 3.864 ( 0.167 1.517 -1.975) 2.496 3.936 ( 3.071 -0.803 -3.678) 4.858 4.230 ( 2.186 -0.121 -0.130) 2.193 4.271 ( 2.127 -2.195 1.133) 3.260 4.354 ( -0.694 -1.188 -0.846) 1.615 4.441 ( 3.881 -0.345 -0.125) 3.898 4.740 ( -5.117 2.953 2.636) 6.469 5.008 ( -1.974 1.101 -1.241) 2.579 5.480 ( 0.224 -0.646 3.503) 3.569 5.768 ( 2.887 -5.670 0.857) 6.420 5.889 ( 9.721 -2.360 0.948) 10.048 5.917 ( 4.895 -3.662 -1.228) 6.235 5.979 ( 5.528 -4.279 -2.004) 7.273 6.352 ( -2.065 3.201 -5.362) 6.577 7.667 ( 0.099 -2.133 0.641) 2.230 7.725 ( 3.899 -0.938 2.141) 4.546 7.923 ( -0.584 0.962 -2.156) 2.432 7.953 ( 0.455 -0.615 -0.744) 1.067 8.256 ( 3.157 -2.145 0.284) 3.827 8.301 ( 2.902 -1.947 -0.485) 3.528 8.540 ( 0.805 -0.650 4.051) 4.181 8.943 ( -0.233 -1.099 -0.171) 1.136 8.994 ( 2.600 -0.115 2.644) 3.711 9.115 ( -1.904 0.305 -3.818) 4.277 9.152 ( 0.328 0.020 0.113) 0.348 9.174 ( 0.057 1.503 -2.545) 2.956 9.653 ( -4.822 2.470 0.561) 5.446 9.671 ( -3.894 2.669 0.235) 4.727 9.706 ( -3.577 1.612 0.091) 3.925 9.711 ( -2.831 2.496 0.076) 3.775 9.810 ( -0.041 0.511 1.342) 1.436 9.973 ( -1.008 0.999 -0.582) 1.534 10.069 ( 0.440 -0.158 0.285) 0.547 10.093 ( 1.465 -1.084 0.346) 1.855 10.129 ( -0.161 -0.079 -0.338) 0.383 10.163 ( 1.278 -0.573 -0.651) 1.545 11.884 ( -4.230 2.488 3.696) 6.144 12.432 ( -9.523 5.879 -3.320) 11.673 15.529 ( -2.239 3.232 -0.478) 3.960 15.581 ( -3.382 2.848 0.074) 4.422 15.617 ( -1.106 -0.658 0.828) 1.531 15.733 ( -1.551 -0.243 -0.878) 1.799 16.177 ( 3.115 -2.000 0.402) 3.724 16.234 ( 2.525 -1.470 0.088) 2.923 ======================= Grid point 12 (8/115) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 5.779 -7.852 5.414) 11.152 1.073 ( 4.061 -5.128 1.874) 6.804 1.132 ( 0.033 0.248 1.411) 1.433 1.170 ( -0.945 0.651 -0.147) 1.157 1.250 ( -0.395 2.039 0.263) 2.094 1.316 ( 1.364 1.504 0.500) 2.091 1.402 ( -0.044 -1.065 -0.426) 1.148 1.490 ( 2.096 -0.762 -0.850) 2.387 1.621 ( -0.010 -0.354 0.716) 0.799 1.732 ( -0.707 -0.430 -0.059) 0.829 1.766 ( -1.796 0.450 0.259) 1.870 1.787 ( -1.457 0.968 -0.147) 1.755 1.907 ( -3.180 -0.752 1.038) 3.429 1.994 ( 0.725 1.447 -0.307) 1.647 2.075 ( 2.867 1.879 -2.586) 4.294 2.160 ( -0.955 1.592 -5.154) 5.479 2.278 ( 12.248 -9.898 2.502) 15.945 2.318 ( 4.690 -3.058 1.089) 5.704 2.350 ( 2.695 -3.849 2.792) 5.465 2.380 ( 3.585 -2.178 1.907) 4.608 2.438 ( 2.430 -2.022 -0.198) 3.168 2.584 ( 0.092 -1.939 1.027) 2.196 2.716 ( 0.749 -1.018 -2.322) 2.644 2.742 ( 1.416 -1.059 -0.779) 1.933 2.858 ( 2.188 1.201 -1.005) 2.691 2.906 ( -1.432 -1.206 2.272) 2.944 3.099 ( -0.662 -3.942 1.110) 4.149 3.258 ( -2.212 -3.461 0.726) 4.171 3.335 ( 5.033 -4.806 1.087) 7.043 3.519 ( 5.650 -3.403 -0.282) 6.602 3.561 ( 3.808 -2.238 0.240) 4.423 3.685 ( 0.085 -1.227 -0.506) 1.330 3.711 ( 1.249 -0.358 0.599) 1.431 3.762 ( -0.067 -0.896 0.033) 0.899 3.838 ( 0.098 0.979 -1.214) 1.563 3.992 ( 5.346 -2.639 -6.601) 8.895 4.246 ( 2.871 0.831 -1.452) 3.323 4.307 ( 0.677 0.230 0.521) 0.885 4.395 ( 0.588 -3.669 1.499) 4.007 4.480 ( 2.149 -0.875 -1.005) 2.528 4.647 ( -4.639 3.204 4.814) 7.414 4.939 ( -3.768 3.423 -2.006) 5.471 5.530 ( 1.425 -3.078 3.705) 5.023 5.910 ( 4.542 -5.082 2.293) 7.192 5.982 ( 1.396 -2.142 -6.006) 6.527 6.065 ( 8.115 -6.018 -0.544) 10.118 6.084 ( 2.378 -3.471 -2.573) 4.932 6.307 ( 4.310 -0.376 0.226) 4.333 7.717 ( 0.135 -3.222 1.271) 3.466 7.796 ( 4.378 -1.911 2.272) 5.289 7.890 ( -1.031 1.136 -2.438) 2.881 7.968 ( 1.391 -0.261 -0.468) 1.491 8.334 ( 2.660 -3.403 0.433) 4.341 8.368 ( 2.692 -2.791 -0.575) 3.920 8.595 ( 2.494 -2.733 3.991) 5.443 8.960 ( -0.951 -1.543 -0.637) 1.921 9.024 ( 2.051 0.228 0.938) 2.267 9.068 ( -2.367 1.209 -2.895) 3.930 9.128 ( -0.640 1.917 -0.826) 2.183 9.161 ( 0.884 0.713 -0.763) 1.369 9.554 ( -4.848 3.579 0.255) 6.032 9.588 ( -3.330 3.071 0.396) 4.547 9.622 ( -4.055 3.525 -0.175) 5.376 9.635 ( -2.454 3.301 0.001) 4.113 9.814 ( 0.524 -0.099 1.787) 1.865 9.938 ( -0.975 1.702 -0.857) 2.141 10.077 ( -0.277 -0.608 0.459) 0.811 10.113 ( 0.097 0.178 -0.150) 0.252 10.137 ( 0.409 -1.244 0.169) 1.321 10.179 ( 1.324 -0.012 -0.612) 1.459 11.809 ( -3.652 2.979 3.793) 6.050 12.200 ( -9.454 9.019 -3.536) 13.536 15.453 ( -2.057 2.886 -0.610) 3.596 15.492 ( -3.187 3.616 -0.867) 4.897 15.612 ( -1.311 0.381 1.618) 2.117 15.701 ( -1.367 1.932 -1.786) 2.965 16.254 ( 2.458 -3.458 1.952) 4.670 16.289 ( 2.625 -2.140 -0.332) 3.403 ======================= Grid point 13 (9/115) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 0.184 -0.332 0.715) 0.810 1.120 ( -1.199 -0.916 0.770) 1.695 1.160 ( 0.635 1.635 0.503) 1.825 1.209 ( 0.563 1.495 0.884) 1.826 1.228 ( 1.417 -1.658 -0.426) 2.222 1.317 ( 2.690 1.193 0.573) 2.998 1.479 ( 3.096 -5.469 1.911) 6.568 1.532 ( 1.762 -1.226 0.674) 2.250 1.614 ( -0.161 -0.186 0.444) 0.508 1.704 ( -1.803 1.258 -0.971) 2.404 1.743 ( -0.807 0.324 0.400) 0.957 1.776 ( -0.541 0.069 -0.103) 0.555 1.874 ( -4.835 -0.260 1.737) 5.144 1.940 ( -4.133 4.056 -4.550) 7.364 2.060 ( 3.300 1.015 0.944) 3.579 2.112 ( 2.930 2.931 -3.590) 5.483 2.356 ( 3.276 -0.199 -0.484) 3.317 2.393 ( 2.779 0.178 -0.174) 2.791 2.452 ( 1.941 -2.346 2.656) 4.041 2.471 ( 1.225 -1.716 -1.503) 2.589 2.554 ( 3.881 -4.856 1.827) 6.479 2.624 ( 0.720 -1.442 0.166) 1.620 2.725 ( 0.866 0.118 -1.917) 2.107 2.738 ( 0.252 1.194 -0.116) 1.225 2.858 ( 2.198 0.196 -3.055) 3.768 2.919 ( -1.058 -0.310 3.973) 4.123 3.181 ( -2.806 -6.596 0.334) 7.176 3.273 ( -6.560 -3.835 0.367) 7.608 3.533 ( 8.093 -7.335 3.703) 11.533 3.603 ( 3.873 -1.725 -1.165) 4.397 3.631 ( 3.530 -1.390 0.820) 3.882 3.707 ( 0.858 -0.521 0.074) 1.006 3.734 ( 1.504 -0.618 0.406) 1.676 3.773 ( 0.226 -0.293 0.127) 0.391 3.837 ( 0.962 -1.334 0.343) 1.680 4.024 ( 1.918 2.052 -7.037) 7.577 4.248 ( 3.702 1.677 -2.484) 4.763 4.296 ( 1.453 2.194 1.130) 2.863 4.473 ( 0.406 -4.004 1.424) 4.269 4.510 ( 0.300 -2.200 -0.951) 2.416 4.609 ( -1.876 -0.785 5.761) 6.110 4.813 ( -5.010 5.492 -2.733) 7.921 5.632 ( 1.753 -5.679 3.747) 7.026 5.889 ( -6.029 3.104 -7.989) 10.478 6.054 ( 5.828 -1.505 3.484) 6.955 6.107 ( 6.786 2.752 -3.282) 8.024 6.270 ( 6.229 -8.550 -1.210) 10.647 6.414 ( 1.450 -4.669 3.830) 6.210 7.777 ( 0.162 -3.023 1.994) 3.626 7.846 ( -0.906 1.068 -2.050) 2.483 7.887 ( 3.730 -2.291 1.783) 4.726 7.979 ( 1.702 0.787 -0.414) 1.920 8.407 ( 0.515 -3.152 0.406) 3.219 8.431 ( 1.307 -2.196 -0.489) 2.602 8.704 ( 3.620 -5.082 3.083) 6.959 8.940 ( -3.066 2.008 -4.373) 5.706 9.020 ( -0.533 -0.560 0.216) 0.802 9.050 ( 1.086 0.924 1.931) 2.400 9.089 ( -1.021 0.912 -1.332) 1.910 9.142 ( -0.015 1.998 -0.291) 2.019 9.465 ( -2.653 2.284 -0.055) 3.502 9.513 ( -2.031 2.756 0.071) 3.424 9.537 ( -2.653 2.082 0.100) 3.374 9.565 ( -1.713 2.453 0.010) 2.992 9.834 ( 0.803 -0.740 1.677) 2.001 9.896 ( -0.825 1.974 -1.112) 2.411 10.086 ( -0.677 -0.795 0.543) 1.177 10.103 ( -0.976 0.036 -0.491) 1.094 10.164 ( 1.213 -0.637 0.534) 1.470 10.183 ( 0.989 0.583 -0.621) 1.305 11.764 ( -1.408 0.301 3.276) 3.578 11.959 ( -7.062 8.366 -3.256) 11.422 15.397 ( -1.223 2.165 -0.603) 2.558 15.408 ( -1.993 2.306 -0.875) 3.171 15.595 ( -1.706 0.391 1.848) 2.545 15.637 ( -2.335 2.654 -2.010) 4.066 16.336 ( 2.573 -1.932 0.628) 3.278 16.352 ( 2.298 -2.917 0.906) 3.823 ======================= Grid point 14 (10/115) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 1.765 -0.892 -0.693) 2.095 1.118 ( 0.062 3.012 0.652) 3.082 1.139 ( 0.475 -1.204 -0.018) 1.295 1.174 ( -0.786 0.980 0.772) 1.475 1.279 ( 2.113 -1.311 -0.872) 2.635 1.299 ( -0.094 1.669 1.259) 2.092 1.537 ( 0.094 1.591 -0.884) 1.822 1.553 ( 0.540 0.977 0.165) 1.128 1.644 ( -1.053 1.907 -1.634) 2.723 1.667 ( 0.267 -1.613 1.129) 1.987 1.753 ( -0.718 1.291 -0.174) 1.488 1.757 ( 0.669 -0.842 -0.035) 1.076 1.824 ( -4.215 -1.412 -5.239) 6.871 1.887 ( -2.803 -4.894 4.893) 7.467 2.070 ( 3.538 3.132 -3.385) 5.812 2.101 ( 3.616 1.338 3.944) 5.516 2.371 ( 2.553 1.500 -1.163) 3.181 2.403 ( 2.052 1.020 -0.259) 2.306 2.472 ( 0.381 1.039 -2.174) 2.439 2.495 ( -0.047 -0.261 1.027) 1.060 2.617 ( 0.877 0.230 -1.318) 1.600 2.628 ( 0.380 1.121 -0.635) 1.343 2.701 ( 1.265 0.337 -3.505) 3.741 2.748 ( 0.284 -0.158 3.506) 3.521 2.878 ( 1.311 -1.400 -2.857) 3.441 2.917 ( -0.878 1.073 4.553) 4.759 3.241 ( -6.166 -4.772 -2.525) 8.196 3.266 ( -6.662 -3.455 1.875) 7.735 3.616 ( 2.428 1.601 0.207) 2.915 3.634 ( 2.068 1.892 -0.408) 2.832 3.690 ( 0.238 3.150 -0.556) 3.208 3.705 ( 2.292 -0.699 0.232) 2.408 3.759 ( 0.186 0.487 -0.871) 1.015 3.767 ( 0.757 0.811 1.282) 1.695 3.920 ( -2.210 5.932 -2.625) 6.853 3.956 ( 5.402 -7.142 4.915) 10.215 4.253 ( 3.674 1.104 -1.562) 4.142 4.285 ( 2.893 1.952 1.114) 3.663 4.512 ( -1.635 0.285 -1.436) 2.195 4.534 ( -0.676 -1.454 0.537) 1.691 4.658 ( -4.786 5.334 -3.440) 7.949 4.691 ( 1.264 -6.555 3.754) 7.659 5.740 ( -4.904 4.586 -6.435) 9.300 5.771 ( 1.244 -7.539 3.127) 8.256 6.072 ( 4.697 5.393 -3.159) 7.818 6.123 ( 4.611 2.330 4.483) 6.840 6.420 ( 1.718 -3.296 -0.533) 3.755 6.451 ( -1.974 0.805 2.735) 3.468 7.803 ( -1.161 1.364 -2.192) 2.831 7.833 ( -0.138 -2.309 2.375) 3.315 7.954 ( 1.635 1.158 0.388) 2.041 7.963 ( 1.947 0.987 1.238) 2.510 8.441 ( -1.209 -0.495 -0.748) 1.505 8.453 ( -0.809 -1.063 0.099) 1.339 8.814 ( -1.629 2.654 -1.635) 3.517 8.854 ( 1.454 -3.223 1.046) 3.687 9.022 ( -1.699 1.282 -1.359) 2.525 9.050 ( -0.038 -2.170 1.043) 2.408 9.087 ( 0.577 0.902 -0.931) 1.419 9.108 ( 0.620 0.364 1.285) 1.472 9.438 ( 0.346 -0.472 -0.332) 0.673 9.474 ( -0.023 0.510 -0.222) 0.556 9.509 ( -0.776 -0.525 0.030) 0.937 9.531 ( -0.874 -0.109 0.301) 0.930 9.850 ( -0.500 1.653 -1.032) 2.012 9.866 ( 0.771 -1.106 1.139) 1.765 10.091 ( -0.897 -0.372 -0.597) 1.140 10.098 ( -0.717 -0.776 0.544) 1.188 10.171 ( 0.613 1.054 -0.396) 1.282 10.185 ( 1.104 0.077 0.429) 1.187 11.782 ( -2.594 3.049 -2.046) 4.496 11.819 ( 0.635 -3.946 1.844) 4.402 15.350 ( -1.184 0.552 -1.445) 1.948 15.392 ( 0.453 -0.486 0.513) 0.840 15.563 ( -3.089 1.605 -1.659) 3.857 15.588 ( -2.360 -0.911 1.430) 2.906 16.369 ( 1.932 0.179 -1.036) 2.200 16.419 ( 2.776 -0.899 2.062) 3.573 ======================= Grid point 15 (11/115) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -1.531 1.369 -1.698) 2.664 1.125 ( 0.963 0.493 0.022) 1.082 1.142 ( 0.579 -0.811 -0.088) 1.001 1.196 ( 1.174 -0.001 0.560) 1.301 1.246 ( -2.043 1.490 0.961) 2.705 1.313 ( 2.028 2.990 0.199) 3.618 1.455 ( -2.709 3.869 -3.744) 6.027 1.505 ( 0.243 3.493 -1.101) 3.671 1.594 ( -1.193 -0.642 -0.502) 1.445 1.704 ( -0.614 -1.891 0.653) 2.093 1.744 ( 0.288 -0.772 -0.090) 0.828 1.774 ( -0.154 -0.302 0.107) 0.356 1.845 ( -1.718 -4.267 -1.900) 4.977 1.981 ( 1.580 -1.592 -0.260) 2.258 2.065 ( 2.466 -1.613 2.462) 3.840 2.126 ( 2.408 0.300 4.222) 4.870 2.347 ( 1.926 3.483 -1.055) 4.117 2.393 ( 0.560 1.981 -1.379) 2.477 2.430 ( 0.289 3.141 -2.642) 4.115 2.472 ( -1.305 2.606 0.518) 2.960 2.544 ( -2.123 6.304 -1.793) 6.890 2.607 ( 0.222 1.606 -1.994) 2.570 2.721 ( 1.187 -1.420 -1.304) 2.264 2.773 ( 1.096 -0.343 2.685) 2.920 2.887 ( -0.131 0.859 0.057) 0.870 2.910 ( 1.705 1.199 1.956) 2.859 3.182 ( -7.821 1.025 -1.976) 8.131 3.283 ( -5.532 -3.526 0.113) 6.561 3.516 ( -1.513 10.661 -1.508) 10.873 3.590 ( 0.947 3.319 0.021) 3.452 3.633 ( 0.436 4.150 0.724) 4.235 3.707 ( -0.346 0.876 -0.766) 1.214 3.722 ( -0.210 1.742 0.421) 1.804 3.768 ( -0.378 0.507 -0.285) 0.693 3.847 ( -0.386 0.906 0.541) 1.124 4.096 ( 2.795 -0.091 6.464) 7.043 4.265 ( 2.672 1.642 0.877) 3.257 4.293 ( 3.558 1.049 -0.361) 3.727 4.455 ( -2.999 2.479 -1.586) 4.202 4.514 ( -2.160 0.108 -2.424) 3.248 4.573 ( -1.238 0.221 -1.603) 2.037 4.835 ( 1.824 -7.043 1.839) 7.505 5.607 ( -2.858 4.526 -4.176) 6.789 5.908 ( 0.189 -5.038 1.390) 5.230 5.989 ( 0.862 5.642 -2.025) 6.056 6.122 ( 2.474 2.650 4.023) 5.415 6.322 ( -3.987 9.218 2.860) 10.443 6.445 ( 0.009 3.223 -0.945) 3.359 7.758 ( -1.072 1.878 -1.737) 2.774 7.872 ( -0.298 -0.700 1.861) 2.010 7.890 ( -0.727 3.484 0.044) 3.559 7.985 ( 1.935 1.155 1.567) 2.745 8.409 ( -1.948 1.616 -0.722) 2.632 8.438 ( -0.808 2.353 -0.118) 2.491 8.685 ( -2.313 6.275 -1.902) 6.953 8.972 ( 0.355 -3.104 0.805) 3.226 8.990 ( 0.216 -1.977 -0.805) 2.145 9.048 ( -0.254 2.109 0.303) 2.146 9.094 ( -0.440 -2.296 0.374) 2.368 9.141 ( 1.631 -0.828 1.010) 2.089 9.480 ( 1.581 -3.345 -0.545) 3.740 9.496 ( 0.983 -2.748 -0.095) 2.920 9.536 ( -0.008 -3.138 -0.185) 3.144 9.560 ( 0.760 -3.104 0.409) 3.222 9.815 ( -0.386 1.370 -1.068) 1.779 9.903 ( 0.783 -1.694 0.873) 2.060 10.085 ( -0.802 -0.256 -0.628) 1.050 10.110 ( -0.217 -0.719 0.500) 0.902 10.153 ( -0.234 1.140 -0.358) 1.218 10.190 ( 0.980 0.719 0.451) 1.297 11.733 ( -0.438 -0.953 -2.148) 2.390 11.982 ( 3.249 -10.758 1.863) 11.391 15.357 ( -0.115 -2.696 -1.067) 2.902 15.429 ( 1.165 -2.699 0.789) 3.044 15.515 ( -3.123 -0.267 -1.333) 3.406 15.600 ( -2.206 -2.626 0.949) 3.559 16.359 ( 1.411 2.559 -1.122) 3.131 16.437 ( 2.404 2.519 1.656) 3.856 ======================= Grid point 16 (12/115) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -4.548 9.831 -3.720) 11.453 1.065 ( -2.873 10.920 -0.281) 11.296 1.136 ( 0.561 -1.130 0.475) 1.348 1.172 ( 0.663 -1.186 -0.109) 1.363 1.245 ( 0.790 -1.777 -0.734) 2.078 1.297 ( 1.838 -0.384 0.600) 1.971 1.415 ( -0.477 -0.741 -0.793) 1.185 1.462 ( 0.857 1.699 -0.221) 1.916 1.608 ( -0.357 -0.513 -0.404) 0.745 1.721 ( -1.163 -0.158 0.057) 1.175 1.769 ( 0.374 -1.853 -0.164) 1.897 1.777 ( -0.485 -1.215 -0.110) 1.313 1.887 ( -1.332 -2.670 -0.663) 3.056 1.997 ( 1.809 -0.747 -0.783) 2.108 2.090 ( 1.811 2.895 2.775) 4.400 2.196 ( 0.409 -3.190 2.648) 4.166 2.255 ( -3.191 15.044 -1.111) 15.419 2.305 ( 0.193 6.170 -0.715) 6.214 2.331 ( -1.362 6.307 -2.432) 6.896 2.379 ( 0.958 3.312 -0.623) 3.504 2.436 ( -1.376 3.104 0.213) 3.402 2.581 ( 0.059 0.917 -1.098) 1.432 2.744 ( 0.353 0.187 1.012) 1.088 2.765 ( -0.315 2.708 0.130) 2.729 2.872 ( 1.039 1.159 1.157) 1.940 2.910 ( 1.128 0.817 -1.024) 1.729 3.093 ( -4.106 1.106 -0.610) 4.296 3.263 ( -3.185 0.745 -0.006) 3.271 3.347 ( -1.354 6.269 -0.625) 6.444 3.530 ( 0.381 6.682 0.899) 6.753 3.549 ( -0.360 3.560 -0.100) 3.579 3.685 ( -0.530 0.981 -0.238) 1.140 3.706 ( 0.031 0.521 0.042) 0.524 3.749 ( -0.528 0.544 -0.495) 0.905 3.852 ( 0.306 -0.640 0.838) 1.098 4.047 ( -0.602 6.747 3.077) 7.440 4.253 ( 1.141 1.873 0.819) 2.341 4.303 ( 2.058 1.257 -0.667) 2.502 4.378 ( -2.576 2.444 -1.299) 3.781 4.494 ( -0.733 2.281 0.747) 2.509 4.614 ( 0.808 -6.247 -1.810) 6.553 4.954 ( 0.942 -4.946 0.696) 5.082 5.513 ( -0.998 3.267 -1.862) 3.890 5.853 ( -0.605 6.532 -1.202) 6.669 5.946 ( -1.753 2.612 0.815) 3.250 6.110 ( -2.244 10.975 1.218) 11.268 6.145 ( 0.132 1.242 0.948) 1.568 6.359 ( 0.599 4.423 1.164) 4.612 7.711 ( -0.740 2.045 -0.941) 2.369 7.797 ( -0.447 4.984 -0.007) 5.004 7.909 ( -0.338 -1.758 1.207) 2.159 7.980 ( 0.955 1.383 0.681) 1.814 8.345 ( -1.003 4.351 -0.213) 4.470 8.376 ( -0.663 3.612 -0.059) 3.673 8.572 ( -0.972 4.339 -1.291) 4.630 8.957 ( -0.688 0.463 -1.100) 1.378 9.011 ( -0.090 2.277 0.227) 2.290 9.084 ( 0.687 -4.551 0.583) 4.639 9.123 ( -0.437 -1.506 0.451) 1.632 9.160 ( 0.747 0.138 0.871) 1.156 9.560 ( 0.694 -5.035 -0.325) 5.093 9.580 ( 1.882 -5.011 -0.158) 5.355 9.605 ( -0.060 -4.989 -0.018) 4.989 9.636 ( 1.056 -4.476 0.180) 4.602 9.793 ( -0.160 0.645 -0.616) 0.906 9.940 ( 0.471 -1.817 0.402) 1.920 10.079 ( -0.515 0.106 -0.321) 0.616 10.113 ( 0.538 1.123 0.061) 1.246 10.134 ( -1.145 -0.211 -0.006) 1.164 10.183 ( 0.586 1.217 0.252) 1.373 11.779 ( 0.687 -4.444 -1.255) 4.669 12.221 ( 2.681 -13.184 1.054) 13.495 15.424 ( 0.719 -4.975 -0.309) 5.036 15.497 ( -0.590 -3.572 -0.299) 3.633 15.512 ( -0.589 -2.883 0.002) 2.943 15.637 ( -1.380 -3.583 0.320) 3.853 16.306 ( 0.741 4.548 -0.715) 4.663 16.393 ( 1.269 5.309 0.910) 5.534 ======================= Grid point 17 (13/115) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 0.000 18.245 -0.000) 18.245 0.779 ( 0.000 20.054 -0.000) 20.054 1.192 ( -0.000 -0.137 0.000) 0.137 1.216 ( -0.000 -5.007 0.000) 5.007 1.283 ( -0.000 -0.149 0.000) 0.149 1.302 ( 0.000 0.394 -0.000) 0.394 1.423 ( 0.000 5.130 -0.000) 5.130 1.468 ( -0.000 -1.634 0.000) 1.634 1.520 ( 0.000 11.877 -0.000) 11.877 1.692 ( 0.000 1.965 -0.000) 1.965 1.743 ( 0.000 6.805 -0.000) 6.805 1.807 ( -0.000 -2.625 0.000) 2.625 1.903 ( -0.000 -0.508 0.000) 0.508 1.946 ( 0.000 3.663 -0.000) 3.663 2.044 ( -0.000 -2.301 0.000) 2.301 2.082 ( 0.000 1.678 -0.000) 1.678 2.217 ( 0.000 1.025 -0.000) 1.025 2.221 ( 0.000 5.587 -0.000) 5.587 2.243 ( 0.000 3.182 -0.000) 3.182 2.335 ( 0.000 2.272 -0.000) 2.272 2.373 ( 0.000 3.854 -0.000) 3.854 2.568 ( 0.000 0.567 -0.000) 0.567 2.676 ( 0.000 6.252 -0.000) 6.252 2.735 ( 0.000 2.116 -0.000) 2.116 2.858 ( 0.000 1.612 -0.000) 1.612 2.925 ( -0.000 -2.499 0.000) 2.499 3.046 ( 0.000 2.894 -0.000) 2.894 3.236 ( 0.000 0.518 -0.000) 0.518 3.267 ( 0.000 3.027 -0.000) 3.027 3.407 ( 0.000 6.695 -0.000) 6.695 3.485 ( 0.000 5.476 -0.000) 5.476 3.676 ( -0.000 -0.998 0.000) 0.998 3.706 ( -0.000 -0.244 0.000) 0.244 3.742 ( -0.000 -0.002 0.000) 0.002 3.870 ( -0.000 -1.278 0.000) 1.278 3.960 ( 0.000 3.260 -0.000) 3.260 4.231 ( 0.000 1.792 -0.000) 1.792 4.263 ( 0.000 3.832 -0.000) 3.832 4.351 ( -0.000 -0.564 0.000) 0.564 4.441 ( 0.000 3.413 -0.000) 3.413 4.726 ( -0.000 -6.160 0.000) 6.160 5.017 ( -0.000 -2.061 0.000) 2.061 5.469 ( 0.000 1.155 -0.000) 1.155 5.749 ( 0.000 4.953 -0.000) 4.953 5.878 ( 0.000 3.706 -0.000) 3.706 5.912 ( 0.000 10.564 -0.000) 10.564 6.043 ( 0.000 9.630 -0.000) 9.630 6.385 ( -0.000 -4.426 0.000) 4.426 7.674 ( 0.000 1.704 -0.000) 1.704 7.719 ( 0.000 4.009 -0.000) 4.009 7.934 ( -0.000 -1.164 0.000) 1.164 7.966 ( 0.000 0.850 -0.000) 0.850 8.263 ( 0.000 4.350 -0.000) 4.350 8.310 ( 0.000 3.713 -0.000) 3.713 8.520 ( 0.000 1.393 -0.000) 1.393 8.944 ( 0.000 0.465 -0.000) 0.465 8.973 ( 0.000 2.168 -0.000) 2.168 9.136 ( -0.000 -0.927 0.000) 0.927 9.141 ( -0.000 -0.758 0.000) 0.758 9.175 ( -0.000 -1.921 0.000) 1.921 9.650 ( -0.000 -5.113 0.000) 5.113 9.671 ( -0.000 -4.419 0.000) 4.419 9.688 ( -0.000 -4.700 0.000) 4.700 9.717 ( -0.000 -4.308 0.000) 4.308 9.787 ( -0.000 -0.220 0.000) 0.220 9.972 ( -0.000 -1.612 0.000) 1.612 10.070 ( 0.000 0.633 -0.000) 0.633 10.089 ( 0.000 1.633 -0.000) 1.633 10.134 ( -0.000 -0.156 0.000) 0.156 10.164 ( 0.000 1.391 -0.000) 1.391 11.862 ( -0.000 -4.860 0.000) 4.860 12.446 ( -0.000 -11.524 0.000) 11.524 15.508 ( -0.000 -3.781 0.000) 3.781 15.543 ( -0.000 -4.225 0.000) 4.225 15.584 ( -0.000 -4.147 0.000) 4.147 15.690 ( -0.000 -3.438 0.000) 3.438 16.226 ( 0.000 5.012 -0.000) 5.012 16.304 ( 0.000 5.778 -0.000) 5.778 ======================= Grid point 20 (14/115) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 15.174 0.000 9.059) 17.673 0.846 ( 17.292 0.000 3.470) 17.637 1.169 ( -0.855 -0.000 -0.583) 1.035 1.225 ( -4.911 -0.000 1.183) 5.052 1.250 ( -3.031 -0.000 -0.800) 3.135 1.308 ( 1.290 0.000 1.390) 1.896 1.406 ( -1.961 -0.000 -2.763) 3.388 1.474 ( -2.107 -0.000 -1.218) 2.433 1.576 ( 8.518 0.000 2.431) 8.858 1.713 ( 1.367 0.000 -1.033) 1.713 1.758 ( 2.326 0.000 1.474) 2.754 1.802 ( -1.448 -0.000 -0.004) 1.448 1.903 ( -1.226 -0.000 -0.508) 1.328 1.992 ( -0.261 -0.000 1.337) 1.362 2.091 ( 2.995 0.000 -0.544) 3.044 2.108 ( 8.979 0.000 3.409) 9.604 2.161 ( 3.767 0.000 -5.310) 6.511 2.248 ( 1.719 0.000 4.162) 4.503 2.249 ( 1.374 0.000 0.076) 1.376 2.345 ( 1.704 0.000 1.049) 2.001 2.423 ( 4.268 0.000 1.110) 4.410 2.536 ( -1.261 -0.000 -0.775) 1.480 2.685 ( 5.667 0.000 0.492) 5.688 2.708 ( 1.062 0.000 -2.958) 3.143 2.867 ( 1.900 0.000 2.374) 3.041 2.870 ( -3.414 -0.000 -1.171) 3.609 3.097 ( 2.243 0.000 2.909) 3.674 3.221 ( 2.232 0.000 -4.642) 5.151 3.291 ( 4.079 0.000 4.249) 5.890 3.458 ( 7.470 0.000 1.801) 7.684 3.472 ( 4.858 0.000 -3.212) 5.824 3.663 ( -0.604 -0.000 -1.356) 1.485 3.719 ( -0.056 -0.000 1.194) 1.195 3.722 ( 0.120 0.000 -1.750) 1.754 3.878 ( -0.406 -0.000 -0.811) 0.907 3.954 ( 5.103 0.000 -4.093) 6.542 4.245 ( 0.562 0.000 2.029) 2.105 4.258 ( -0.170 -0.000 -1.568) 1.577 4.349 ( 2.527 0.000 -1.611) 2.996 4.486 ( 4.901 0.000 0.616) 4.939 4.720 ( -6.076 -0.000 3.426) 6.976 4.991 ( -2.696 -0.000 -1.707) 3.191 5.490 ( 0.380 0.000 3.735) 3.754 5.742 ( 2.946 0.000 0.265) 2.958 5.897 ( 2.955 0.000 -0.016) 2.955 5.983 ( 2.357 0.000 -7.136) 7.515 6.016 ( 14.532 0.000 3.203) 14.881 6.368 ( 3.736 0.000 -3.396) 5.049 7.651 ( 0.102 0.000 0.504) 0.514 7.769 ( 4.959 0.000 3.043) 5.818 7.928 ( -0.879 -0.000 -0.517) 1.020 7.944 ( 1.570 0.000 -2.136) 2.651 8.274 ( 4.098 0.000 0.207) 4.104 8.315 ( 3.491 0.000 -0.519) 3.530 8.559 ( 1.424 0.000 4.782) 4.989 8.929 ( -0.485 -0.000 -0.652) 0.812 9.031 ( 2.938 0.000 3.209) 4.351 9.079 ( -2.876 -0.000 -5.077) 5.835 9.158 ( 0.827 0.000 0.163) 0.843 9.178 ( -0.060 -0.000 -2.525) 2.526 9.624 ( -5.766 -0.000 0.356) 5.777 9.642 ( -6.231 -0.000 -0.106) 6.232 9.684 ( -3.546 -0.000 0.395) 3.568 9.707 ( -2.998 -0.000 0.144) 3.001 9.815 ( -0.466 -0.000 1.584) 1.651 9.969 ( -1.180 -0.000 -0.551) 1.302 10.084 ( 0.743 0.000 0.291) 0.798 10.087 ( 1.178 0.000 0.306) 1.217 10.142 ( 0.821 0.000 -0.114) 0.828 10.157 ( 0.614 0.000 -0.818) 1.022 11.871 ( -5.333 -0.000 4.294) 6.847 12.367 ( -11.412 -0.000 -3.988) 12.088 15.547 ( -2.853 -0.000 0.435) 2.886 15.556 ( -4.635 -0.000 -1.557) 4.890 15.579 ( -3.565 -0.000 -0.073) 3.566 15.697 ( -2.613 -0.000 -0.153) 2.618 16.205 ( 4.735 0.000 -0.589) 4.772 16.272 ( 5.656 0.000 1.925) 5.975 ======================= Grid point 21 (15/115) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 8.339 -3.802 6.228) 11.081 1.066 ( 9.650 -4.112 3.432) 11.037 1.136 ( -1.885 1.160 0.695) 2.320 1.179 ( -0.160 0.298 0.637) 0.721 1.248 ( -1.150 -1.192 0.096) 1.659 1.327 ( 0.040 -0.878 1.658) 1.876 1.386 ( -0.746 -0.736 -2.296) 2.524 1.463 ( -0.765 -1.784 -2.184) 2.922 1.621 ( 0.505 -0.022 0.944) 1.070 1.719 ( -0.249 -0.211 -1.038) 1.088 1.766 ( -1.486 0.797 0.188) 1.697 1.781 ( -0.849 0.445 -0.001) 0.958 1.879 ( -2.049 0.631 -0.120) 2.148 1.984 ( -2.193 -1.500 -0.425) 2.691 2.124 ( 2.419 0.359 -2.090) 3.217 2.147 ( 0.408 1.009 -5.520) 5.627 2.277 ( 6.974 -5.990 3.178) 9.727 2.294 ( 2.028 -3.333 0.217) 3.908 2.330 ( 7.098 -2.593 2.399) 7.928 2.381 ( 2.891 -2.348 1.677) 4.084 2.456 ( 2.796 0.374 0.465) 2.859 2.544 ( -0.620 -2.478 -0.224) 2.564 2.701 ( -1.096 -0.510 -2.899) 3.141 2.744 ( 3.710 -0.715 0.257) 3.787 2.848 ( -1.613 -1.057 -0.268) 1.947 2.918 ( 4.464 -1.231 2.252) 5.149 3.089 ( 0.017 2.918 1.946) 3.507 3.234 ( 1.475 0.328 -2.266) 2.724 3.349 ( 6.595 -0.504 3.125) 7.315 3.529 ( 4.676 -2.148 -0.819) 5.211 3.561 ( 5.854 -2.705 1.558) 6.634 3.664 ( 0.348 -0.838 -0.993) 1.345 3.720 ( 0.227 -0.053 0.608) 0.651 3.738 ( 0.802 -1.477 -0.994) 1.953 3.861 ( 0.255 1.303 -0.117) 1.333 4.004 ( 7.360 -0.872 -6.074) 9.582 4.256 ( -0.487 -1.820 -0.688) 2.005 4.280 ( -0.307 -2.663 -0.125) 2.683 4.376 ( 3.202 -0.130 -0.390) 3.228 4.518 ( 3.134 1.540 0.332) 3.508 4.658 ( -5.245 1.951 4.845) 7.402 4.939 ( -4.033 1.906 -2.085) 4.924 5.518 ( 1.101 -1.347 3.396) 3.816 5.828 ( 2.684 -6.465 0.064) 7.000 5.939 ( -2.293 -0.040 -7.752) 8.084 5.987 ( 1.762 -5.862 -1.618) 6.332 6.172 ( 15.208 0.260 3.871) 15.695 6.405 ( 9.179 2.550 -0.763) 9.557 7.673 ( 0.035 -2.233 0.594) 2.311 7.835 ( 5.270 -0.510 3.372) 6.277 7.900 ( -0.487 1.633 -1.028) 1.990 7.970 ( 2.079 -1.044 -1.085) 2.567 8.327 ( 3.714 -1.302 0.269) 3.945 8.359 ( 3.202 -1.469 -0.581) 3.570 8.604 ( 2.970 -1.125 4.591) 5.582 8.926 ( -1.317 -0.840 -1.741) 2.339 9.030 ( -2.213 0.484 -4.036) 4.628 9.069 ( 2.151 0.051 2.639) 3.405 9.150 ( -0.579 1.569 -1.165) 2.038 9.170 ( 0.517 -0.004 -1.007) 1.132 9.549 ( -5.862 1.987 0.160) 6.191 9.574 ( -5.991 0.808 -0.057) 6.045 9.633 ( -3.574 2.108 0.090) 4.150 9.658 ( -2.813 2.273 0.180) 3.621 9.820 ( -0.125 -0.321 1.695) 1.729 9.949 ( -1.097 0.902 -0.629) 1.553 10.077 ( 0.211 0.546 0.282) 0.650 10.122 ( 0.888 -1.355 0.242) 1.638 10.125 ( 0.225 1.156 -0.154) 1.188 10.179 ( 0.836 -1.042 -0.537) 1.440 11.819 ( -5.041 1.637 4.103) 6.703 12.203 ( -11.026 4.642 -3.938) 12.594 15.464 ( -3.924 2.324 -1.502) 4.802 15.511 ( -3.603 2.540 -0.168) 4.411 15.565 ( -3.699 -2.350 -0.176) 4.386 15.683 ( -2.730 -0.699 -0.843) 2.941 16.254 ( 4.158 -1.024 0.438) 4.304 16.331 ( 6.169 0.785 2.120) 6.571 ======================= Grid point 22 (16/115) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 0.111 0.022 1.310) 1.315 1.102 ( -0.087 -0.016 1.120) 1.123 1.177 ( -0.736 0.446 -0.073) 0.863 1.212 ( 1.904 -0.762 0.504) 2.112 1.266 ( 3.402 0.658 2.775) 4.439 1.368 ( 3.043 -0.501 2.229) 3.805 1.421 ( 2.381 -4.701 0.246) 5.275 1.510 ( 1.743 -3.384 -1.985) 4.293 1.607 ( -1.645 0.562 0.335) 1.770 1.701 ( -2.062 0.656 -0.562) 2.236 1.735 ( -1.441 0.540 0.324) 1.572 1.771 ( -0.226 0.245 -0.641) 0.723 1.838 ( -4.025 0.708 0.340) 4.101 1.982 ( -2.010 3.779 -1.696) 4.604 2.068 ( -0.289 -0.677 -2.903) 2.994 2.156 ( 2.472 0.791 -1.928) 3.234 2.358 ( 1.244 -2.151 -0.745) 2.595 2.390 ( 0.895 -2.093 -0.627) 2.361 2.431 ( 2.747 -4.422 0.603) 5.241 2.470 ( 2.488 -1.335 -0.384) 2.850 2.525 ( 4.442 -4.713 1.948) 6.763 2.594 ( 0.912 -2.752 -0.413) 2.928 2.705 ( -0.675 -2.397 -0.468) 2.534 2.765 ( 1.109 1.017 -0.552) 1.603 2.869 ( -0.677 -1.999 0.930) 2.306 2.948 ( 4.670 4.597 -2.190) 6.909 3.077 ( -2.954 -3.361 3.772) 5.852 3.199 ( -2.193 2.156 -0.322) 3.092 3.498 ( 8.709 -7.153 2.064) 11.457 3.609 ( 4.463 -2.244 -0.321) 5.006 3.649 ( 3.702 -1.130 1.183) 4.047 3.692 ( 0.637 -2.160 -0.038) 2.253 3.729 ( 0.019 -0.793 0.751) 1.092 3.768 ( 0.831 -0.973 -0.148) 1.288 3.851 ( 1.774 0.797 0.988) 2.181 4.061 ( 6.233 0.633 -7.248) 9.580 4.295 ( 1.473 -1.997 -1.000) 2.676 4.318 ( 2.094 -0.705 -1.400) 2.616 4.416 ( 0.504 -2.554 1.284) 2.902 4.496 ( -0.897 1.211 1.062) 1.843 4.611 ( -1.954 1.390 4.797) 5.363 4.836 ( -5.170 4.229 -2.323) 7.071 5.581 ( 1.320 -3.551 2.870) 4.753 5.841 ( -5.526 1.526 -8.056) 9.888 6.004 ( 2.877 -9.373 0.352) 9.810 6.127 ( 3.988 -6.297 -1.754) 7.658 6.309 ( 12.296 0.830 3.490) 12.808 6.440 ( 6.919 2.936 1.566) 7.678 7.725 ( -0.037 -3.560 0.840) 3.658 7.856 ( -0.687 1.703 -1.048) 2.114 7.914 ( 5.107 -0.844 3.273) 6.124 8.002 ( 2.427 -0.299 -0.645) 2.529 8.375 ( 1.136 -1.476 0.553) 1.943 8.410 ( 1.775 -1.602 -0.857) 2.540 8.685 ( 3.961 -2.840 3.443) 5.967 8.908 ( -2.639 -0.241 -4.048) 4.838 9.003 ( -0.973 -0.373 -1.064) 1.489 9.087 ( 0.988 0.959 1.567) 2.086 9.103 ( -0.876 2.254 -0.334) 2.441 9.162 ( -0.439 0.947 -0.806) 1.318 9.468 ( -3.660 1.718 -0.062) 4.044 9.508 ( -4.432 0.758 -0.121) 4.498 9.559 ( -2.448 2.921 0.097) 3.812 9.591 ( -2.049 2.742 0.095) 3.424 9.834 ( 0.299 -0.660 1.464) 1.633 9.916 ( -0.755 1.635 -0.719) 1.940 10.074 ( -0.334 -0.131 0.350) 0.502 10.100 ( -0.647 0.918 -0.402) 1.193 10.161 ( 1.135 -1.396 0.536) 1.877 10.195 ( 0.769 -0.108 -0.527) 0.939 11.765 ( -3.182 1.069 3.226) 4.656 11.999 ( -8.335 6.593 -3.263) 11.116 15.400 ( -2.734 0.933 -1.274) 3.157 15.431 ( -2.526 3.140 -0.617) 4.077 15.563 ( -3.509 -1.465 0.604) 3.850 15.644 ( -2.872 1.801 -1.535) 3.721 16.327 ( 3.409 -2.949 1.426) 4.727 16.375 ( 4.995 1.041 1.195) 5.240 ======================= Grid point 23 (17/115) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 0.362 -0.677 -0.583) 0.964 1.119 ( 0.772 -1.467 0.053) 1.659 1.149 ( -0.742 0.818 1.175) 1.613 1.198 ( -0.833 1.632 -0.190) 1.842 1.303 ( 4.513 0.605 1.651) 4.844 1.361 ( 1.250 3.819 1.402) 4.256 1.546 ( 1.350 -2.089 -0.209) 2.497 1.556 ( 2.468 -1.194 -1.778) 3.268 1.621 ( 0.023 -3.207 0.944) 3.343 1.668 ( -1.367 0.266 -0.897) 1.656 1.733 ( -0.980 -1.975 1.171) 2.497 1.754 ( -1.640 0.967 -1.500) 2.424 1.792 ( -3.192 0.843 0.234) 3.309 1.842 ( -2.605 4.553 -0.775) 5.302 2.109 ( 1.372 -1.552 -0.679) 2.180 2.149 ( 1.524 1.543 -0.435) 2.212 2.383 ( 0.024 -1.079 -1.574) 1.908 2.405 ( -0.939 -0.739 -1.581) 1.982 2.495 ( 2.474 -0.809 -0.623) 2.677 2.518 ( 2.906 0.006 0.635) 2.975 2.624 ( 3.168 -1.635 -0.252) 3.574 2.639 ( 2.185 -1.359 -0.638) 2.651 2.734 ( 0.770 2.443 -1.067) 2.775 2.747 ( -0.295 -1.428 1.233) 1.909 2.877 ( 0.954 1.332 -1.256) 2.064 2.914 ( -1.805 -0.978 2.007) 2.871 3.117 ( -3.022 -2.856 0.236) 4.165 3.151 ( -5.453 -1.653 0.573) 5.726 3.658 ( 3.083 -0.523 0.438) 3.158 3.668 ( 3.124 -0.380 -0.148) 3.151 3.705 ( 2.538 -2.250 0.521) 3.431 3.724 ( 0.762 -0.179 0.018) 0.783 3.754 ( 0.801 -1.463 -0.445) 1.726 3.782 ( -0.145 -0.325 0.464) 0.585 3.915 ( 5.830 -5.029 4.040) 8.695 4.012 ( 0.800 7.015 -4.284) 8.259 4.313 ( 3.274 1.611 -1.414) 3.913 4.338 ( 2.418 0.416 0.090) 2.455 4.474 ( -0.648 -3.479 0.298) 3.552 4.505 ( -0.313 -0.913 -0.424) 1.054 4.614 ( -1.117 -3.189 4.048) 5.273 4.692 ( -5.225 5.734 -2.393) 8.118 5.679 ( 1.034 -5.871 2.179) 6.347 5.732 ( -4.424 2.751 -5.654) 7.689 6.168 ( 3.268 -4.925 1.398) 6.074 6.207 ( 5.793 2.218 -3.434) 7.090 6.400 ( 6.284 -0.364 1.631) 6.502 6.449 ( -0.419 0.826 3.662) 3.777 7.786 ( -0.100 -3.253 0.959) 3.392 7.817 ( -0.722 1.599 -0.984) 2.012 7.986 ( 3.930 -0.763 2.537) 4.740 8.010 ( 1.639 1.665 -0.110) 2.339 8.407 ( -0.547 -1.988 0.247) 2.077 8.425 ( -1.218 -0.417 -0.978) 1.617 8.787 ( 2.803 -3.980 1.856) 5.210 8.856 ( -2.406 1.943 -2.947) 4.272 9.011 ( -0.525 -1.136 -0.053) 1.252 9.042 ( -1.055 1.875 -0.363) 2.182 9.100 ( 1.077 0.183 0.766) 1.334 9.127 ( -1.024 1.615 -0.245) 1.928 9.434 ( -0.532 -0.019 -0.274) 0.599 9.477 ( -1.061 -0.363 -0.517) 1.234 9.502 ( -1.491 1.490 0.531) 2.174 9.535 ( -1.340 1.963 0.066) 2.377 9.856 ( 0.469 -0.954 0.969) 1.438 9.877 ( -0.374 1.940 -0.649) 2.080 10.077 ( -0.475 -0.343 0.127) 0.600 10.083 ( -0.744 -0.072 -0.157) 0.763 10.190 ( 0.894 -0.324 0.331) 1.006 10.194 ( 0.637 0.367 -0.307) 0.796 11.762 ( -0.663 -2.169 2.001) 3.025 11.825 ( -4.526 5.360 -2.184) 7.348 15.357 ( -1.442 1.992 -0.914) 2.624 15.383 ( -0.913 -0.336 -0.505) 1.096 15.553 ( -2.767 -0.695 0.904) 2.992 15.569 ( -2.844 2.905 -1.310) 4.271 16.399 ( 3.116 0.648 0.273) 3.194 16.417 ( 2.681 -2.896 1.377) 4.180 ======================= Grid point 24 (18/115) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -0.779 0.986 -1.439) 1.910 1.131 ( 0.297 0.257 0.160) 0.424 1.152 ( -0.392 1.149 0.803) 1.456 1.189 ( 1.263 -1.886 0.896) 2.440 1.286 ( 0.165 4.160 0.088) 4.164 1.354 ( 2.906 0.013 1.183) 3.137 1.505 ( -1.064 4.662 -3.309) 5.815 1.563 ( 0.042 2.085 0.633) 2.179 1.590 ( -2.084 3.882 -1.091) 4.539 1.668 ( -0.420 -1.920 0.196) 1.975 1.733 ( -0.608 -1.192 -0.508) 1.432 1.769 ( -0.285 -1.528 -0.002) 1.554 1.775 ( 0.358 -0.555 -0.641) 0.920 1.895 ( 0.326 -8.455 2.721) 8.888 2.109 ( 2.111 2.320 -0.964) 3.281 2.151 ( -0.214 -0.353 1.153) 1.225 2.387 ( -0.098 0.341 -1.171) 1.223 2.400 ( -0.597 -0.351 -1.225) 1.408 2.501 ( 2.228 2.789 -0.693) 3.637 2.515 ( 0.929 2.765 0.680) 2.995 2.617 ( 0.894 4.355 -1.341) 4.644 2.641 ( 0.762 2.300 -0.569) 2.489 2.718 ( 1.198 0.353 -1.210) 1.739 2.770 ( 0.392 -1.661 1.202) 2.088 2.880 ( 0.101 -0.888 -0.577) 1.063 2.945 ( 0.992 -2.003 3.843) 4.445 3.090 ( -5.696 -0.603 -2.928) 6.433 3.172 ( -3.551 -4.249 1.196) 5.666 3.657 ( 1.499 4.199 0.010) 4.459 3.663 ( 0.941 4.013 -0.172) 4.125 3.695 ( 0.678 2.676 -0.230) 2.770 3.725 ( 0.242 0.959 0.048) 0.990 3.746 ( -0.987 2.228 -0.734) 2.545 3.781 ( 0.337 1.062 0.182) 1.129 3.877 ( -1.062 4.774 -0.395) 4.906 4.102 ( 4.631 -6.283 3.990) 8.766 4.314 ( 2.535 1.000 -0.526) 2.776 4.356 ( 3.017 1.032 0.621) 3.249 4.462 ( -2.172 2.477 -0.697) 3.367 4.490 ( -2.727 1.720 -2.373) 4.003 4.571 ( -2.034 1.809 -0.362) 2.746 4.726 ( 0.496 -7.847 1.407) 7.988 5.635 ( -2.116 3.399 -2.688) 4.822 5.804 ( 0.501 -7.317 1.165) 7.426 6.139 ( 3.228 8.896 -1.919) 9.656 6.213 ( 1.957 3.097 1.487) 3.953 6.410 ( -2.340 3.963 2.281) 5.137 6.457 ( 1.088 -1.325 0.002) 1.714 7.777 ( -0.402 1.854 -0.748) 2.039 7.838 ( -0.264 -2.527 0.841) 2.676 7.961 ( 0.151 4.299 -0.206) 4.307 8.029 ( 1.935 0.740 1.641) 2.642 8.401 ( -1.476 0.154 -0.815) 1.694 8.440 ( -0.524 -1.310 0.075) 1.413 8.759 ( -1.417 5.048 -1.190) 5.377 8.900 ( 1.186 -5.369 0.895) 5.571 8.989 ( -0.725 1.425 -0.694) 1.743 9.052 ( -0.128 -2.001 0.297) 2.027 9.081 ( -0.276 1.684 -0.251) 1.725 9.135 ( 0.787 -1.504 0.582) 1.794 9.450 ( 0.745 -1.572 -0.338) 1.772 9.477 ( 0.428 -0.568 -0.173) 0.733 9.496 ( -0.648 -0.797 -0.025) 1.027 9.518 ( -0.512 -1.962 0.337) 2.056 9.838 ( -0.176 1.924 -0.479) 1.991 9.885 ( 0.391 -1.409 0.510) 1.548 10.073 ( -0.451 -0.191 -0.295) 0.572 10.091 ( -0.314 -1.050 0.284) 1.133 10.176 ( 0.208 1.474 -0.279) 1.515 10.206 ( 0.585 0.054 0.274) 0.648 11.726 ( -1.244 1.999 -1.158) 2.624 11.851 ( 0.710 -7.516 0.996) 7.615 15.327 ( -0.384 -0.111 -0.660) 0.772 15.399 ( 0.144 -1.947 0.029) 1.952 15.500 ( -1.862 1.798 -0.650) 2.669 15.549 ( -1.635 -1.364 0.564) 2.202 16.403 ( 1.361 1.458 -0.242) 2.009 16.476 ( 1.512 -0.806 0.866) 1.920 ======================= Grid point 25 (19/115) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 0.000 3.010 -0.000) 3.010 1.115 ( 0.000 0.783 -0.000) 0.783 1.168 ( -0.000 -1.178 0.000) 1.178 1.207 ( 0.000 2.865 -0.000) 2.865 1.232 ( 0.000 1.348 -0.000) 1.348 1.332 ( 0.000 4.249 -0.000) 4.249 1.419 ( 0.000 1.952 -0.000) 1.952 1.507 ( 0.000 3.467 -0.000) 3.467 1.577 ( -0.000 -2.070 0.000) 2.070 1.699 ( -0.000 -1.664 0.000) 1.664 1.742 ( -0.000 -0.998 0.000) 0.998 1.771 ( 0.000 0.030 -0.000) 0.030 1.825 ( -0.000 -3.659 0.000) 3.659 1.999 ( -0.000 -1.375 0.000) 1.375 2.119 ( -0.000 -2.746 0.000) 2.746 2.150 ( -0.000 -0.052 0.000) 0.052 2.359 ( 0.000 2.849 -0.000) 2.849 2.378 ( 0.000 3.154 -0.000) 3.154 2.449 ( 0.000 4.299 -0.000) 4.299 2.459 ( 0.000 3.915 -0.000) 3.915 2.515 ( 0.000 7.990 -0.000) 7.990 2.604 ( 0.000 2.082 -0.000) 2.082 2.729 ( -0.000 -1.348 0.000) 1.348 2.792 ( 0.000 0.093 -0.000) 0.093 2.885 ( 0.000 0.341 -0.000) 0.341 2.984 ( 0.000 3.478 -0.000) 3.478 3.044 ( -0.000 -1.981 0.000) 1.981 3.218 ( -0.000 -3.142 0.000) 3.142 3.493 ( 0.000 11.314 -0.000) 11.314 3.604 ( 0.000 4.222 -0.000) 4.222 3.648 ( 0.000 5.467 -0.000) 5.467 3.694 ( 0.000 0.899 -0.000) 0.899 3.720 ( 0.000 0.683 -0.000) 0.683 3.761 ( 0.000 1.233 -0.000) 1.233 3.847 ( -0.000 -0.061 0.000) 0.061 4.154 ( 0.000 3.747 -0.000) 3.747 4.303 ( 0.000 2.775 -0.000) 2.775 4.348 ( 0.000 2.094 -0.000) 2.094 4.400 ( 0.000 2.565 -0.000) 2.565 4.472 ( -0.000 -3.916 0.000) 3.916 4.555 ( 0.000 0.006 -0.000) 0.006 4.859 ( -0.000 -7.153 0.000) 7.153 5.562 ( 0.000 3.676 -0.000) 3.676 5.915 ( -0.000 -4.076 0.000) 4.076 5.996 ( 0.000 8.393 -0.000) 8.393 6.158 ( 0.000 3.194 -0.000) 3.194 6.288 ( 0.000 9.475 -0.000) 9.475 6.445 ( 0.000 3.634 -0.000) 3.634 7.741 ( 0.000 2.090 -0.000) 2.090 7.876 ( -0.000 -1.584 0.000) 1.584 7.881 ( 0.000 4.623 -0.000) 4.623 8.016 ( 0.000 1.898 -0.000) 1.898 8.385 ( 0.000 1.217 -0.000) 1.217 8.428 ( 0.000 2.473 -0.000) 2.473 8.655 ( 0.000 6.084 -0.000) 6.084 8.961 ( 0.000 0.535 -0.000) 0.535 9.004 ( -0.000 -5.263 0.000) 5.263 9.046 ( 0.000 1.851 -0.000) 1.851 9.091 ( -0.000 -2.087 0.000) 2.087 9.162 ( -0.000 -0.774 0.000) 0.774 9.491 ( -0.000 -3.314 0.000) 3.314 9.517 ( -0.000 -3.310 0.000) 3.310 9.526 ( -0.000 -3.894 0.000) 3.894 9.571 ( -0.000 -3.877 0.000) 3.877 9.808 ( 0.000 1.389 -0.000) 1.389 9.914 ( -0.000 -1.706 0.000) 1.706 10.074 ( -0.000 -0.240 0.000) 0.240 10.109 ( -0.000 -1.127 0.000) 1.127 10.149 ( 0.000 1.798 -0.000) 1.798 10.203 ( 0.000 0.746 -0.000) 0.746 11.722 ( -0.000 -2.057 0.000) 2.057 12.021 ( -0.000 -11.905 0.000) 11.905 15.353 ( -0.000 -3.309 0.000) 3.309 15.442 ( -0.000 -2.948 0.000) 2.948 15.478 ( -0.000 -0.413 0.000) 0.413 15.576 ( -0.000 -2.790 0.000) 2.790 16.372 ( 0.000 2.999 -0.000) 2.999 16.469 ( 0.000 2.650 -0.000) 2.650 ======================= Grid point 30 (20/115) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 2.753 0.000 2.963) 4.045 1.116 ( 4.169 0.000 0.472) 4.196 1.153 ( -0.462 -0.000 0.779) 0.906 1.175 ( 3.164 0.000 3.953) 5.063 1.244 ( 5.209 0.000 3.213) 6.120 1.322 ( -0.677 -0.000 2.341) 2.437 1.357 ( -0.392 -0.000 -3.345) 3.368 1.432 ( -0.454 -0.000 -2.025) 2.075 1.624 ( -0.976 -0.000 1.025) 1.416 1.714 ( -0.230 -0.000 -2.379) 2.390 1.745 ( -2.032 -0.000 -0.062) 2.033 1.790 ( -0.237 -0.000 -0.054) 0.243 1.881 ( -0.571 -0.000 0.056) 0.574 1.922 ( -5.044 -0.000 -1.322) 5.214 2.124 ( 2.293 0.000 -1.559) 2.772 2.154 ( -0.627 -0.000 -5.144) 5.182 2.256 ( 1.525 0.000 2.659) 3.066 2.283 ( 2.063 0.000 -0.853) 2.232 2.369 ( 0.128 0.000 0.414) 0.434 2.404 ( 6.147 0.000 1.635) 6.360 2.499 ( -1.925 -0.000 -0.534) 1.998 2.500 ( 3.751 0.000 0.908) 3.860 2.659 ( -3.506 -0.000 -3.211) 4.755 2.779 ( 3.349 0.000 0.416) 3.375 2.832 ( 0.358 0.000 -0.947) 1.013 2.952 ( 3.647 0.000 4.015) 5.424 3.170 ( 4.714 0.000 2.932) 5.551 3.238 ( 2.392 0.000 -3.691) 4.399 3.447 ( 7.616 0.000 4.425) 8.808 3.519 ( 2.001 0.000 -1.335) 2.405 3.611 ( 5.926 0.000 1.568) 6.130 3.658 ( 0.328 0.000 -0.773) 0.840 3.726 ( 1.515 0.000 -1.925) 2.450 3.729 ( 0.376 0.000 1.411) 1.460 3.877 ( 0.989 0.000 0.653) 1.185 4.054 ( 8.461 0.000 -6.303) 10.551 4.203 ( -3.176 -0.000 -2.346) 3.948 4.254 ( -0.498 -0.000 1.339) 1.428 4.415 ( 4.163 0.000 -0.901) 4.259 4.553 ( -0.950 -0.000 1.636) 1.892 4.652 ( -1.746 -0.000 4.138) 4.491 4.909 ( -4.297 -0.000 -2.036) 4.755 5.528 ( 1.041 0.000 2.808) 2.995 5.793 ( 1.841 0.000 -0.418) 1.887 5.878 ( -4.354 -0.000 -8.175) 9.262 5.951 ( 2.521 0.000 -0.008) 2.521 6.343 ( 15.662 0.000 4.385) 16.264 6.523 ( 10.455 0.000 -0.710) 10.479 7.655 ( 0.000 0.000 0.413) 0.413 7.888 ( 2.867 0.000 2.018) 3.506 7.919 ( 2.036 0.000 1.297) 2.414 7.978 ( 2.865 0.000 -1.156) 3.089 8.357 ( 4.117 0.000 -0.078) 4.117 8.374 ( 2.728 0.000 -0.226) 2.738 8.644 ( 4.078 0.000 4.338) 5.954 8.895 ( -2.102 -0.000 -3.163) 3.797 9.000 ( -1.749 -0.000 -2.754) 3.263 9.102 ( 2.089 0.000 2.631) 3.359 9.152 ( -1.092 -0.000 -2.263) 2.512 9.168 ( 0.038 0.000 -0.134) 0.139 9.512 ( -5.754 -0.000 0.011) 5.754 9.517 ( -6.149 -0.000 -0.119) 6.150 9.619 ( -3.099 -0.000 0.115) 3.101 9.651 ( -2.896 -0.000 0.191) 2.903 9.818 ( -0.355 -0.000 1.463) 1.505 9.943 ( -1.107 -0.000 -0.540) 1.232 10.095 ( 0.229 0.000 0.205) 0.308 10.108 ( 0.807 0.000 0.336) 0.874 10.154 ( 0.496 0.000 -0.086) 0.504 10.161 ( 0.238 0.000 -0.532) 0.583 11.796 ( -5.037 -0.000 3.707) 6.254 12.123 ( -10.365 -0.000 -3.646) 10.988 15.432 ( -5.762 -0.000 -2.598) 6.321 15.490 ( -3.105 -0.000 0.284) 3.118 15.520 ( -2.323 -0.000 -0.291) 2.342 15.647 ( -2.300 -0.000 -0.129) 2.303 16.286 ( 3.734 0.000 -0.232) 3.741 16.412 ( 6.253 0.000 2.769) 6.838 ======================= Grid point 31 (21/115) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -0.551 0.376 0.577) 0.882 1.113 ( -0.514 0.576 0.547) 0.946 1.168 ( -0.297 -0.901 0.093) 0.954 1.234 ( 1.741 0.116 1.779) 2.492 1.316 ( 2.655 0.332 4.069) 4.870 1.357 ( 3.059 -3.536 -2.239) 5.184 1.381 ( 1.932 -2.220 3.105) 4.278 1.464 ( 3.056 -3.610 -0.856) 4.807 1.609 ( -1.046 0.789 0.326) 1.350 1.686 ( -1.800 0.916 -1.808) 2.711 1.731 ( -1.505 0.117 -0.426) 1.568 1.780 ( -0.072 0.849 -0.414) 0.948 1.824 ( -3.518 1.996 -0.572) 4.085 1.946 ( -1.058 -4.814 0.233) 4.934 2.071 ( -2.482 3.878 -4.097) 6.163 2.180 ( 2.657 -0.852 -1.416) 3.129 2.315 ( 0.195 -2.912 -0.609) 2.981 2.334 ( 0.515 -5.871 0.968) 5.972 2.380 ( 0.709 -1.848 -0.821) 2.143 2.456 ( 0.466 -1.318 -0.098) 1.401 2.489 ( 0.071 -2.326 0.324) 2.349 2.562 ( 2.060 -2.294 0.161) 3.087 2.639 ( -2.267 -2.630 -1.321) 3.715 2.793 ( 1.267 1.107 0.143) 1.689 2.848 ( 1.204 -1.002 -0.525) 1.652 3.004 ( 1.420 -1.542 2.275) 3.094 3.131 ( 3.235 7.828 0.356) 8.477 3.262 ( 2.125 2.775 -0.063) 3.495 3.495 ( 5.668 -1.592 1.250) 6.019 3.600 ( 3.486 -3.784 0.659) 5.188 3.662 ( 0.774 -1.135 0.631) 1.511 3.669 ( 1.928 -0.861 0.321) 2.135 3.725 ( 0.515 0.185 -0.335) 0.642 3.758 ( 0.991 -1.163 0.272) 1.552 3.892 ( 2.885 0.697 1.475) 3.314 4.111 ( 6.905 0.220 -6.061) 9.190 4.210 ( -1.685 -4.923 -2.062) 5.597 4.287 ( 0.267 -3.431 0.430) 3.468 4.438 ( 3.093 1.256 -0.428) 3.365 4.510 ( -4.563 1.988 3.466) 6.065 4.649 ( 1.000 1.759 2.310) 3.072 4.840 ( -4.327 2.558 -1.777) 5.331 5.558 ( 0.923 -1.571 1.989) 2.698 5.787 ( -4.009 0.453 -6.054) 7.275 5.885 ( 1.523 -6.364 -0.303) 6.550 6.030 ( 1.991 -6.457 -0.198) 6.759 6.476 ( 12.077 2.227 3.650) 12.812 6.582 ( 7.776 3.577 -0.215) 8.562 7.676 ( -0.019 -2.296 0.373) 2.326 7.878 ( -0.465 1.642 -0.365) 1.745 7.968 ( 4.826 -0.028 3.195) 5.788 8.012 ( 2.501 -0.953 -0.617) 2.746 8.384 ( 1.839 0.386 0.274) 1.899 8.407 ( 1.942 -0.762 -0.620) 2.176 8.706 ( 4.338 -0.903 3.159) 5.442 8.865 ( -2.247 -0.409 -3.661) 4.315 8.985 ( -0.727 -0.354 -0.818) 1.151 9.109 ( -0.637 1.372 -0.329) 1.548 9.128 ( -0.299 0.740 0.563) 0.977 9.164 ( -0.386 0.405 -0.418) 0.698 9.452 ( -3.815 0.755 -0.089) 3.890 9.468 ( -4.323 -0.165 -0.054) 4.326 9.577 ( -2.178 1.886 -0.003) 2.881 9.611 ( -2.047 1.695 0.153) 2.663 9.826 ( -0.157 -0.757 1.057) 1.309 9.926 ( -0.761 0.691 -0.442) 1.119 10.080 ( -0.027 0.980 0.152) 0.992 10.121 ( -0.072 1.839 -0.121) 1.845 10.143 ( 0.658 -1.669 0.257) 1.813 10.187 ( 0.358 -1.272 -0.293) 1.354 11.757 ( -3.471 0.679 2.630) 4.408 11.996 ( -7.396 3.380 -2.674) 8.560 15.372 ( -3.741 0.221 -1.800) 4.157 15.450 ( -2.390 1.964 -0.119) 3.096 15.508 ( -1.974 -1.358 0.035) 2.396 15.631 ( -1.972 0.044 -0.511) 2.037 16.325 ( 2.718 -1.217 0.254) 2.989 16.457 ( 4.605 1.831 1.934) 5.320 ======================= Grid point 32 (22/115) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 0.285 -0.638 0.117) 0.708 1.106 ( -0.478 -0.147 -0.254) 0.561 1.165 ( 0.414 0.987 0.653) 1.254 1.216 ( -0.516 1.675 -0.304) 1.779 1.358 ( 2.429 -0.583 3.599) 4.381 1.401 ( 0.237 -0.660 -0.828) 1.085 1.490 ( 3.358 -6.014 0.415) 6.900 1.557 ( 1.602 -2.865 0.017) 3.282 1.593 ( 2.121 0.889 -0.086) 2.301 1.642 ( -3.266 0.752 -1.058) 3.514 1.704 ( -2.586 0.554 -0.023) 2.645 1.754 ( -1.001 0.553 0.074) 1.146 1.783 ( -1.022 0.710 -0.419) 1.313 1.930 ( -1.378 6.776 -0.783) 6.959 2.049 ( -0.385 -5.119 -1.049) 5.240 2.186 ( 1.084 1.554 -0.439) 1.945 2.341 ( -1.127 -1.987 -1.222) 2.591 2.387 ( -0.086 -0.559 -0.741) 0.932 2.468 ( 0.895 -4.281 -0.010) 4.374 2.506 ( 1.323 -4.342 -0.219) 4.544 2.576 ( 0.785 -6.904 0.528) 6.969 2.610 ( 0.674 -2.832 -0.244) 2.921 2.692 ( -0.429 -4.335 0.194) 4.361 2.772 ( -0.088 2.116 -0.032) 2.119 2.867 ( 0.090 -0.488 -0.014) 0.496 2.997 ( 1.611 7.924 -1.663) 8.256 3.054 ( -1.350 -1.368 2.380) 3.060 3.182 ( -0.015 6.170 0.065) 6.170 3.632 ( 3.809 -6.665 0.196) 7.679 3.680 ( 1.858 -1.766 0.269) 2.578 3.688 ( 0.860 -2.014 0.439) 2.233 3.703 ( 0.688 -1.235 -0.349) 1.456 3.730 ( -0.755 -0.911 0.455) 1.268 3.777 ( 0.223 -0.338 0.026) 0.406 3.927 ( 3.442 -0.930 1.977) 4.077 4.113 ( 2.687 3.873 -3.560) 5.907 4.291 ( 0.055 -4.582 -1.179) 4.732 4.352 ( 0.795 -2.935 -0.377) 3.064 4.434 ( 0.691 0.586 0.657) 1.119 4.474 ( -1.529 -1.455 1.711) 2.718 4.622 ( 0.157 2.669 1.387) 3.012 4.734 ( -3.193 4.966 -1.221) 6.029 5.613 ( 0.534 -3.673 1.079) 3.865 5.720 ( -2.417 1.691 -3.235) 4.378 6.043 ( 1.004 -10.159 -0.039) 10.209 6.174 ( 1.567 -7.925 -0.573) 8.098 6.513 ( 5.331 4.595 1.671) 7.234 6.551 ( 3.426 6.263 0.810) 7.185 7.728 ( -0.021 -3.650 0.334) 3.665 7.841 ( -0.289 2.028 -0.336) 2.076 8.018 ( 2.919 -0.335 1.899) 3.498 8.040 ( 1.372 0.033 -0.197) 1.386 8.388 ( 0.080 0.009 0.345) 0.354 8.415 ( -0.320 0.411 -0.810) 0.963 8.770 ( 2.407 -1.847 1.480) 3.376 8.843 ( -1.316 -0.004 -2.083) 2.464 8.990 ( -0.269 -0.905 -0.020) 0.945 9.065 ( -0.944 2.076 -0.612) 2.361 9.116 ( -0.429 0.515 0.618) 0.911 9.143 ( -0.233 1.579 -0.209) 1.610 9.424 ( -1.022 -0.160 -0.146) 1.045 9.449 ( -1.441 -0.992 -0.005) 1.749 9.524 ( -1.097 2.316 -0.009) 2.563 9.563 ( -0.828 2.339 0.072) 2.482 9.844 ( 0.067 -1.070 0.540) 1.200 9.902 ( -0.280 1.470 -0.277) 1.522 10.070 ( -0.174 0.078 0.125) 0.228 10.090 ( -0.208 1.421 -0.139) 1.443 10.179 ( 0.441 -1.633 0.234) 1.707 10.202 ( 0.243 -0.189 -0.209) 0.372 11.737 ( -1.245 -0.419 1.254) 1.816 11.867 ( -3.341 4.850 -1.340) 6.040 15.348 ( -1.461 -0.756 -0.744) 1.805 15.392 ( -1.035 2.637 -0.237) 2.843 15.517 ( -1.354 -1.350 0.250) 1.929 15.592 ( -1.365 2.415 -0.594) 2.837 16.384 ( 1.485 -3.106 0.501) 3.479 16.457 ( 2.268 2.331 0.700) 3.327 ======================= Grid point 33 (23/115) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 0.000 0.494 -0.000) 0.494 1.115 ( -0.000 -1.438 0.000) 1.438 1.168 ( -0.000 -0.909 0.000) 0.909 1.186 ( 0.000 1.738 -0.000) 1.738 1.366 ( 0.000 3.882 -0.000) 3.882 1.384 ( 0.000 0.971 -0.000) 0.971 1.563 ( 0.000 2.963 -0.000) 2.963 1.581 ( 0.000 0.391 -0.000) 0.391 1.600 ( -0.000 -1.550 0.000) 1.550 1.637 ( -0.000 -3.721 0.000) 3.721 1.727 ( -0.000 -1.629 0.000) 1.629 1.728 ( 0.000 0.365 -0.000) 0.365 1.778 ( -0.000 -2.234 0.000) 2.234 1.819 ( 0.000 3.921 -0.000) 3.921 2.116 ( -0.000 -3.045 0.000) 3.045 2.159 ( 0.000 2.063 -0.000) 2.063 2.366 ( -0.000 -1.970 0.000) 1.970 2.387 ( -0.000 -0.120 0.000) 0.120 2.520 ( -0.000 -1.457 0.000) 1.457 2.548 ( 0.000 0.027 -0.000) 0.027 2.664 ( -0.000 -1.275 0.000) 1.275 2.677 ( -0.000 -1.072 0.000) 1.072 2.736 ( 0.000 1.126 -0.000) 1.126 2.741 ( -0.000 -1.674 0.000) 1.674 2.883 ( -0.000 -0.087 0.000) 0.087 2.889 ( 0.000 0.497 -0.000) 0.497 3.091 ( -0.000 -0.434 0.000) 0.434 3.098 ( 0.000 0.800 -0.000) 0.800 3.689 ( 0.000 0.191 -0.000) 0.191 3.699 ( 0.000 0.097 -0.000) 0.097 3.725 ( -0.000 -0.251 0.000) 0.251 3.730 ( -0.000 -0.020 0.000) 0.020 3.770 ( -0.000 -2.949 0.000) 2.949 3.773 ( 0.000 0.532 -0.000) 0.532 4.003 ( 0.000 8.564 -0.000) 8.564 4.013 ( -0.000 -6.027 0.000) 6.027 4.334 ( -0.000 -0.783 0.000) 0.783 4.370 ( 0.000 0.226 -0.000) 0.226 4.467 ( -0.000 -2.511 0.000) 2.511 4.500 ( 0.000 0.826 -0.000) 0.826 4.618 ( -0.000 -4.031 0.000) 4.031 4.622 ( 0.000 5.728 -0.000) 5.728 5.668 ( 0.000 2.487 -0.000) 2.487 5.697 ( -0.000 -5.898 0.000) 5.898 6.200 ( -0.000 -6.673 0.000) 6.673 6.259 ( 0.000 1.035 -0.000) 1.035 6.450 ( 0.000 3.787 -0.000) 3.787 6.480 ( 0.000 3.880 -0.000) 3.880 7.789 ( -0.000 -3.302 0.000) 3.302 7.806 ( 0.000 1.828 -0.000) 1.828 8.022 ( 0.000 2.474 -0.000) 2.474 8.046 ( -0.000 -0.241 0.000) 0.241 8.396 ( 0.000 0.285 -0.000) 0.285 8.405 ( -0.000 -1.583 0.000) 1.583 8.808 ( 0.000 1.302 -0.000) 1.302 8.836 ( -0.000 -2.685 0.000) 2.685 9.004 ( -0.000 -0.168 0.000) 0.168 9.031 ( 0.000 0.595 -0.000) 0.595 9.107 ( 0.000 1.441 -0.000) 1.441 9.121 ( -0.000 -0.220 0.000) 0.220 9.431 ( -0.000 -1.059 0.000) 1.059 9.469 ( -0.000 -1.954 0.000) 1.954 9.486 ( 0.000 1.507 -0.000) 1.507 9.521 ( 0.000 2.047 -0.000) 2.047 9.863 ( -0.000 -0.380 0.000) 0.380 9.873 ( 0.000 1.187 -0.000) 1.187 10.072 ( 0.000 0.407 -0.000) 0.407 10.076 ( -0.000 -0.609 0.000) 0.609 10.197 ( 0.000 0.817 -0.000) 0.817 10.203 ( -0.000 -0.835 0.000) 0.835 11.764 ( -0.000 -3.445 0.000) 3.445 11.771 ( 0.000 4.319 -0.000) 4.319 15.339 ( 0.000 1.605 -0.000) 1.605 15.370 ( -0.000 -1.306 0.000) 1.306 15.527 ( -0.000 -0.702 0.000) 0.702 15.534 ( 0.000 3.200 -0.000) 3.200 16.433 ( 0.000 1.204 -0.000) 1.204 16.450 ( -0.000 -2.738 0.000) 2.738 ======================= Grid point 40 (24/115) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -1.061 -0.000 0.132) 1.069 1.112 ( -0.252 -0.000 -0.062) 0.259 1.155 ( 0.423 0.000 0.474) 0.636 1.255 ( -0.261 -0.000 1.731) 1.751 1.303 ( -0.728 -0.000 -1.708) 1.857 1.349 ( 1.235 0.000 0.812) 1.478 1.439 ( 5.311 0.000 3.940) 6.613 1.455 ( 3.036 0.000 0.311) 3.052 1.611 ( 0.405 0.000 -0.157) 0.434 1.678 ( -1.488 -0.000 -1.910) 2.421 1.714 ( -1.357 -0.000 -0.468) 1.435 1.782 ( -0.229 -0.000 -0.348) 0.417 1.812 ( -4.307 -0.000 -1.146) 4.457 1.883 ( 0.166 0.000 0.534) 0.560 2.101 ( -1.324 -0.000 -2.556) 2.878 2.150 ( 1.012 0.000 -0.637) 1.196 2.286 ( 0.419 0.000 1.047) 1.128 2.293 ( -0.245 -0.000 -0.752) 0.791 2.369 ( 0.290 0.000 -0.237) 0.375 2.444 ( 0.127 0.000 -0.218) 0.253 2.463 ( -1.339 -0.000 -0.012) 1.339 2.563 ( 1.605 0.000 0.242) 1.623 2.591 ( -1.345 -0.000 -1.002) 1.677 2.820 ( 0.918 0.000 0.193) 0.939 2.844 ( 0.795 0.000 -0.415) 0.897 3.010 ( 0.703 0.000 1.497) 1.654 3.256 ( 1.040 0.000 -1.255) 1.630 3.291 ( 4.084 0.000 1.386) 4.313 3.539 ( 0.694 0.000 -0.450) 0.827 3.581 ( 3.162 0.000 1.634) 3.559 3.658 ( 0.048 0.000 -0.204) 0.209 3.672 ( 0.500 0.000 0.352) 0.611 3.742 ( 0.756 0.000 -0.722) 1.045 3.755 ( 1.068 0.000 0.963) 1.438 3.930 ( 2.544 0.000 1.297) 2.856 4.130 ( -2.325 -0.000 -1.569) 2.805 4.154 ( 4.102 0.000 -3.395) 5.325 4.262 ( 1.215 0.000 -0.368) 1.270 4.474 ( 2.034 0.000 -0.331) 2.061 4.495 ( -4.172 -0.000 3.046) 5.166 4.683 ( 1.079 0.000 0.895) 1.402 4.824 ( -2.651 -0.000 -1.007) 2.836 5.557 ( 0.498 0.000 1.011) 1.127 5.745 ( -2.154 -0.000 -3.245) 3.895 5.840 ( 0.742 0.000 -0.174) 0.762 5.986 ( 0.982 0.000 0.006) 0.982 6.602 ( 7.190 0.000 2.202) 7.520 6.673 ( 4.482 0.000 -0.313) 4.493 7.657 ( -0.015 -0.000 0.156) 0.157 7.889 ( -0.312 -0.000 -0.148) 0.346 8.016 ( 2.995 0.000 2.059) 3.635 8.020 ( 1.596 0.000 -0.352) 1.635 8.410 ( 1.010 0.000 0.065) 1.012 8.412 ( 1.488 0.000 -0.349) 1.528 8.748 ( 3.310 0.000 1.930) 3.831 8.833 ( -1.308 -0.000 -2.285) 2.633 8.975 ( -0.310 -0.000 -0.343) 0.462 9.114 ( -1.145 -0.000 -0.986) 1.511 9.119 ( -1.214 -0.000 0.132) 1.221 9.172 ( 0.588 0.000 0.473) 0.754 9.425 ( -2.630 -0.000 -0.132) 2.633 9.432 ( -2.232 -0.000 0.058) 2.233 9.578 ( -1.112 -0.000 0.032) 1.113 9.607 ( -1.400 -0.000 0.053) 1.401 9.820 ( -0.147 -0.000 0.564) 0.583 9.924 ( -0.481 -0.000 -0.245) 0.540 10.097 ( -0.019 -0.000 0.069) 0.072 10.121 ( 0.305 0.000 0.172) 0.350 10.159 ( 0.158 0.000 -0.027) 0.161 10.160 ( 0.023 0.000 -0.196) 0.197 11.742 ( -2.101 -0.000 1.448) 2.552 11.959 ( -4.205 -0.000 -1.482) 4.459 15.336 ( -2.430 -0.000 -1.192) 2.707 15.446 ( -1.279 -0.000 0.035) 1.279 15.488 ( -0.833 -0.000 -0.074) 0.836 15.615 ( -0.910 -0.000 -0.050) 0.911 16.336 ( 1.397 0.000 -0.065) 1.399 16.514 ( 2.532 0.000 1.218) 2.810 ======================= Grid point 41 (25/115) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -0.000 -0.501 0.000) 0.501 1.110 ( 0.000 0.622 -0.000) 0.622 1.171 ( -0.000 -1.130 0.000) 1.130 1.236 ( 0.000 1.263 -0.000) 1.263 1.347 ( -0.000 -3.753 0.000) 3.753 1.361 ( -0.000 -1.082 0.000) 1.082 1.456 ( -0.000 -0.508 0.000) 0.508 1.513 ( -0.000 -3.060 0.000) 3.060 1.622 ( -0.000 -0.137 0.000) 0.137 1.648 ( 0.000 1.743 -0.000) 1.743 1.700 ( 0.000 0.645 -0.000) 0.645 1.763 ( 0.000 1.504 -0.000) 1.504 1.784 ( 0.000 0.101 -0.000) 0.101 1.944 ( -0.000 -5.750 0.000) 5.750 2.023 ( 0.000 5.075 -0.000) 5.075 2.204 ( -0.000 -1.128 0.000) 1.128 2.304 ( -0.000 -1.466 0.000) 1.466 2.338 ( -0.000 -6.101 0.000) 6.101 2.389 ( -0.000 -2.608 0.000) 2.608 2.452 ( -0.000 -1.350 0.000) 1.350 2.485 ( -0.000 -3.727 0.000) 3.727 2.580 ( -0.000 -1.155 0.000) 1.155 2.618 ( -0.000 -3.731 0.000) 3.731 2.805 ( 0.000 1.738 -0.000) 1.738 2.861 ( -0.000 -0.850 0.000) 0.850 3.021 ( -0.000 -0.650 0.000) 0.650 3.166 ( 0.000 8.643 -0.000) 8.643 3.288 ( 0.000 4.775 -0.000) 4.775 3.556 ( -0.000 -3.485 0.000) 3.485 3.640 ( -0.000 -3.512 0.000) 3.512 3.665 ( -0.000 -0.943 0.000) 0.943 3.690 ( -0.000 -1.510 0.000) 1.510 3.729 ( 0.000 1.072 -0.000) 1.072 3.771 ( -0.000 -0.614 0.000) 0.614 3.944 ( 0.000 0.214 -0.000) 0.214 4.141 ( -0.000 -1.305 0.000) 1.305 4.202 ( -0.000 -4.583 0.000) 4.583 4.295 ( -0.000 -3.032 0.000) 3.032 4.461 ( 0.000 1.646 -0.000) 1.646 4.473 ( 0.000 1.160 -0.000) 1.160 4.671 ( 0.000 2.151 -0.000) 2.151 4.784 ( 0.000 2.910 -0.000) 2.910 5.574 ( -0.000 -1.613 0.000) 1.613 5.723 ( 0.000 0.783 -0.000) 0.783 5.901 ( -0.000 -6.687 0.000) 6.687 6.049 ( -0.000 -6.582 0.000) 6.582 6.614 ( 0.000 3.178 -0.000) 3.178 6.660 ( 0.000 3.991 -0.000) 3.991 7.677 ( -0.000 -2.329 0.000) 2.329 7.871 ( 0.000 1.680 -0.000) 1.680 8.035 ( -0.000 -0.013 0.000) 0.013 8.037 ( -0.000 -0.853 0.000) 0.853 8.402 ( 0.000 1.064 -0.000) 1.064 8.420 ( 0.000 0.220 -0.000) 0.220 8.770 ( -0.000 -0.348 0.000) 0.348 8.827 ( -0.000 -0.452 0.000) 0.452 8.977 ( -0.000 -0.483 0.000) 0.483 9.089 ( 0.000 1.555 -0.000) 1.555 9.116 ( -0.000 -0.025 0.000) 0.025 9.168 ( 0.000 1.063 -0.000) 1.063 9.414 ( -0.000 -0.179 0.000) 0.179 9.427 ( -0.000 -0.603 0.000) 0.603 9.555 ( 0.000 1.898 -0.000) 1.898 9.590 ( 0.000 1.299 -0.000) 1.299 9.828 ( -0.000 -0.882 0.000) 0.882 9.917 ( 0.000 0.566 -0.000) 0.566 10.080 ( 0.000 1.113 -0.000) 1.113 10.120 ( 0.000 2.092 -0.000) 2.092 10.151 ( -0.000 -1.861 0.000) 1.861 10.190 ( -0.000 -1.349 0.000) 1.349 11.732 ( 0.000 0.236 -0.000) 0.236 11.912 ( 0.000 2.844 -0.000) 2.844 15.326 ( -0.000 -0.537 0.000) 0.537 15.426 ( 0.000 1.832 -0.000) 1.832 15.490 ( -0.000 -0.971 0.000) 0.971 15.609 ( 0.000 0.474 -0.000) 0.474 16.353 ( -0.000 -1.415 0.000) 1.415 16.510 ( 0.000 2.086 -0.000) 2.086 ======================= Grid point 83 (26/115) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.386 ( -3.367 -0.000 20.527) 20.801 0.389 ( 2.351 0.000 20.644) 20.777 0.863 ( 0.284 0.000 44.054) 44.055 1.137 ( 0.212 0.000 -5.509) 5.513 1.147 ( -0.060 -0.000 -5.303) 5.303 1.357 ( -0.509 -0.000 1.104) 1.216 1.365 ( 1.049 0.000 1.763) 2.052 1.506 ( 0.760 0.000 -3.130) 3.221 1.514 ( -1.243 -0.000 -2.799) 3.063 1.690 ( 0.050 0.000 1.228) 1.229 1.855 ( 0.278 0.000 -0.926) 0.967 1.898 ( 1.014 0.000 0.520) 1.139 1.899 ( 0.103 0.000 0.664) 0.672 1.929 ( -1.394 -0.000 -0.281) 1.422 2.023 ( -0.939 -0.000 -3.707) 3.824 2.031 ( 0.797 0.000 -3.688) 3.774 2.153 ( -0.222 -0.000 1.329) 1.347 2.230 ( -0.171 0.000 3.394) 3.399 2.230 ( 1.021 0.000 3.491) 3.637 2.305 ( -0.515 -0.000 1.875) 1.944 2.307 ( 0.265 0.000 1.955) 1.973 2.519 ( 0.206 0.000 0.508) 0.548 2.538 ( 0.151 0.000 -1.094) 1.104 2.623 ( -0.072 -0.000 -5.602) 5.602 2.862 ( -0.366 -0.000 2.973) 2.995 2.992 ( -1.437 -0.000 1.287) 1.929 3.001 ( 1.707 0.000 1.552) 2.307 3.176 ( 1.437 0.000 -2.855) 3.196 3.186 ( -1.678 -0.000 -2.702) 3.181 3.268 ( 0.112 0.000 -8.233) 8.234 3.401 ( -0.049 -0.000 6.857) 6.858 3.697 ( -0.716 -0.000 0.322) 0.785 3.703 ( 0.617 0.000 0.417) 0.744 3.752 ( 1.327 0.000 -1.256) 1.827 3.757 ( -0.952 -0.000 -1.164) 1.503 3.890 ( -0.035 -0.000 -5.157) 5.157 4.192 ( 1.205 0.000 2.545) 2.816 4.198 ( -1.517 -0.000 2.534) 2.953 4.355 ( -0.713 -0.000 -1.748) 1.888 4.357 ( 0.814 0.000 -1.681) 1.867 4.870 ( -0.050 -0.000 3.125) 3.125 5.046 ( -0.061 -0.000 -1.634) 1.635 5.578 ( 0.025 0.000 6.613) 6.613 5.679 ( 0.290 0.000 1.314) 1.346 5.681 ( -0.210 -0.000 1.371) 1.387 5.800 ( -0.461 -0.000 -1.376) 1.451 5.816 ( 0.427 0.000 -1.523) 1.582 6.351 ( -0.133 -0.000 -13.609) 13.610 7.668 ( -0.607 -0.000 2.683) 2.751 7.668 ( 0.571 0.000 2.662) 2.723 7.916 ( -0.527 -0.000 -3.768) 3.804 7.916 ( 0.537 0.000 -3.764) 3.802 8.191 ( 0.044 0.000 0.445) 0.447 8.234 ( -0.014 -0.000 -0.674) 0.674 8.587 ( 0.069 0.000 7.903) 7.903 8.957 ( 1.130 0.000 2.811) 3.030 8.958 ( -1.076 -0.000 2.753) 2.955 9.121 ( 0.713 0.000 -1.539) 1.697 9.123 ( -0.399 -0.000 -1.677) 1.723 9.150 ( -0.379 -0.000 -7.701) 7.710 9.757 ( -0.059 -0.000 0.309) 0.315 9.770 ( 0.083 0.000 0.281) 0.293 9.783 ( 0.002 0.000 -0.329) 0.329 9.796 ( -0.694 -0.000 -0.267) 0.744 9.814 ( 0.689 0.000 3.991) 4.050 9.993 ( -0.090 -0.000 -1.177) 1.181 10.055 ( -0.113 -0.000 0.678) 0.687 10.063 ( 0.029 0.000 0.660) 0.661 10.109 ( 0.197 0.000 -0.687) 0.714 10.117 ( -0.089 -0.000 -0.686) 0.692 12.027 ( 0.051 0.000 7.628) 7.628 12.597 ( -0.064 -0.000 -6.847) 6.847 15.610 ( 0.552 0.000 1.594) 1.687 15.618 ( -0.565 -0.000 1.500) 1.603 15.742 ( -1.089 -0.000 -1.598) 1.934 15.744 ( 0.468 0.000 -1.552) 1.621 16.025 ( 0.783 0.000 2.162) 2.300 16.181 ( -0.170 -0.000 -1.803) 1.811 ======================= Grid point 84 (27/115) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 10.534 -12.009 13.674) 21.028 0.703 ( 4.550 -17.087 12.774) 21.814 1.146 ( 2.249 -3.177 0.068) 3.893 1.188 ( 2.936 -5.420 -1.409) 6.323 1.231 ( 6.405 -12.054 13.696) 19.337 1.314 ( -2.072 3.639 0.643) 4.236 1.395 ( 2.866 -4.476 7.156) 8.914 1.449 ( -2.061 3.068 -3.613) 5.168 1.488 ( -0.049 0.997 -2.312) 2.518 1.701 ( 0.621 -0.594 0.883) 1.232 1.777 ( -0.871 1.624 4.724) 5.071 1.862 ( -0.482 3.148 -0.165) 3.189 1.891 ( -1.641 0.600 -0.315) 1.775 1.942 ( 0.414 -0.570 0.456) 0.840 2.008 ( 0.577 0.537 -3.256) 3.350 2.086 ( 1.797 -4.247 -3.056) 5.533 2.105 ( -1.713 2.788 2.143) 3.911 2.260 ( 0.795 -1.039 3.096) 3.361 2.274 ( 1.561 -1.788 3.692) 4.389 2.322 ( -0.316 -1.887 0.981) 2.150 2.330 ( 1.371 -1.171 0.748) 1.952 2.550 ( 0.654 -1.446 -1.556) 2.222 2.582 ( 2.369 -4.670 -0.097) 5.237 2.640 ( 1.316 -3.248 -4.808) 5.950 2.861 ( -0.786 0.514 2.471) 2.644 2.990 ( -1.019 -1.670 0.625) 2.054 3.002 ( 0.988 2.138 1.669) 2.887 3.176 ( 1.036 -1.448 -3.104) 3.578 3.228 ( 1.626 -3.976 -1.871) 4.685 3.322 ( 3.675 -6.916 -6.704) 10.309 3.414 ( -0.222 0.310 6.648) 6.659 3.693 ( -0.065 0.566 -0.425) 0.711 3.706 ( -0.743 0.948 -0.156) 1.214 3.756 ( 1.417 0.483 -0.820) 1.707 3.789 ( 0.602 -2.536 -4.441) 5.150 3.864 ( -0.501 0.147 -4.765) 4.793 4.201 ( 0.275 -0.467 1.260) 1.371 4.262 ( 1.755 -3.253 2.722) 4.590 4.358 ( 0.511 -1.517 -1.909) 2.492 4.366 ( 1.173 -0.651 -1.568) 2.063 4.846 ( -1.793 3.010 3.870) 5.220 5.018 ( -0.924 1.424 -1.870) 2.526 5.563 ( -1.456 1.179 7.976) 8.193 5.735 ( 4.721 -2.385 2.438) 5.824 5.764 ( 1.384 -6.844 0.510) 7.001 5.816 ( 2.058 -2.176 -1.723) 3.455 5.894 ( 2.246 -7.451 -1.415) 7.910 6.273 ( -1.332 2.553 -14.150) 14.440 7.691 ( 0.086 -2.052 2.534) 3.262 7.699 ( 1.313 -1.092 3.434) 3.835 7.886 ( -0.497 0.697 -4.486) 4.567 7.927 ( 0.614 -1.290 -3.183) 3.489 8.218 ( 1.192 -2.366 0.542) 2.704 8.255 ( 1.028 -2.152 -0.781) 2.509 8.610 ( -0.157 0.358 8.364) 8.373 8.962 ( -0.141 -0.517 2.318) 2.379 8.990 ( 1.000 -0.582 3.063) 3.274 9.097 ( -1.079 0.936 -6.898) 7.044 9.109 ( 0.357 0.577 -3.034) 3.109 9.139 ( 0.662 -0.470 -2.050) 2.205 9.722 ( -1.566 3.059 0.308) 3.450 9.736 ( -2.127 3.276 0.307) 3.918 9.748 ( -1.021 2.628 0.105) 2.821 9.764 ( -1.759 2.393 -0.124) 2.973 9.831 ( 0.452 0.424 3.393) 3.449 9.977 ( -0.522 1.040 -1.450) 1.859 10.066 ( 0.329 -0.834 0.726) 1.154 10.078 ( 0.613 -0.934 0.781) 1.363 10.122 ( 0.342 -1.155 -0.914) 1.512 10.127 ( 0.703 -0.687 -1.113) 1.485 12.015 ( -1.866 3.465 8.188) 9.085 12.499 ( -3.572 6.310 -7.464) 10.406 15.570 ( -1.406 3.190 1.417) 3.763 15.633 ( 1.023 0.763 2.094) 2.452 15.655 ( -3.636 4.112 0.844) 5.554 15.728 ( 0.155 1.940 -1.461) 2.433 16.124 ( 2.955 -5.603 -0.660) 6.369 16.197 ( 0.022 -2.667 -2.246) 3.486 ======================= Grid point 85 (28/115) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 7.325 -10.222 7.152) 14.467 1.009 ( 4.066 -10.014 6.688) 12.710 1.185 ( -0.207 1.388 0.743) 1.587 1.209 ( -1.358 2.549 0.513) 2.933 1.263 ( -1.490 -0.460 0.694) 1.706 1.304 ( 1.091 1.547 1.601) 2.479 1.385 ( -0.955 -0.815 -3.855) 4.054 1.434 ( 0.919 0.660 -2.577) 2.815 1.630 ( 1.128 -1.881 2.228) 3.127 1.726 ( 1.026 -0.749 -0.013) 1.271 1.801 ( -0.950 1.534 0.294) 1.828 1.816 ( -0.893 1.705 0.015) 1.925 1.933 ( 1.920 -2.504 -1.247) 3.393 1.958 ( 0.834 -0.737 1.736) 2.062 2.048 ( -0.418 1.097 0.047) 1.175 2.103 ( 4.323 -7.430 3.657) 9.341 2.123 ( 2.072 -4.466 0.037) 4.924 2.290 ( 0.949 -1.119 1.854) 2.365 2.333 ( 0.978 -1.937 1.120) 2.442 2.363 ( 1.502 -3.305 1.498) 3.927 2.391 ( 1.679 -3.405 0.710) 3.862 2.586 ( 0.927 -2.126 -0.518) 2.376 2.663 ( 1.327 -2.367 -2.316) 3.567 2.699 ( 0.936 -3.314 -2.390) 4.192 2.837 ( -1.268 1.726 0.161) 2.148 2.979 ( -0.895 0.233 2.333) 2.509 3.060 ( 3.318 -4.547 0.186) 5.632 3.250 ( 3.486 -6.081 1.725) 7.219 3.314 ( 1.049 -4.582 -1.299) 4.876 3.441 ( 1.030 -3.273 1.809) 3.879 3.481 ( 4.094 -5.425 -0.992) 6.869 3.673 ( 0.905 0.014 -2.697) 2.845 3.688 ( -0.546 -0.402 -0.450) 0.814 3.765 ( 1.175 0.123 -0.030) 1.181 3.807 ( 0.137 -0.944 -2.297) 2.487 3.860 ( 0.704 -1.631 -4.436) 4.778 4.206 ( -0.319 0.171 -0.419) 0.554 4.313 ( 0.187 -0.235 1.087) 1.128 4.395 ( 1.654 -2.765 1.312) 3.478 4.412 ( 1.935 -3.104 -2.453) 4.404 4.777 ( -2.491 4.134 5.312) 7.178 4.962 ( -1.888 3.100 -3.151) 4.806 5.584 ( -0.097 -1.570 7.546) 7.708 5.848 ( 5.462 -3.472 2.487) 6.933 5.870 ( 3.819 -3.551 -2.326) 5.710 5.946 ( 2.604 -10.361 1.625) 10.806 6.022 ( -0.623 -2.909 -7.247) 7.833 6.210 ( 2.457 -3.980 -6.326) 7.867 7.746 ( 0.346 -2.634 3.451) 4.355 7.755 ( 2.221 -2.755 2.901) 4.576 7.855 ( -0.384 0.674 -4.386) 4.454 7.946 ( 0.478 -1.281 -1.746) 2.218 8.291 ( 2.006 -4.177 0.515) 4.663 8.314 ( 1.750 -3.539 -0.854) 4.040 8.637 ( 0.401 -0.687 7.542) 7.583 8.981 ( -1.479 -0.889 -0.480) 1.792 8.992 ( 1.135 1.329 -1.556) 2.340 9.064 ( 0.122 -0.064 -1.221) 1.229 9.095 ( 0.377 0.549 -2.977) 3.051 9.143 ( 0.424 0.101 -0.953) 1.048 9.639 ( -2.571 4.572 0.099) 5.246 9.643 ( -2.676 4.722 0.372) 5.440 9.677 ( -1.820 3.943 0.050) 4.343 9.687 ( -2.415 4.209 -0.302) 4.862 9.838 ( 0.206 0.358 3.314) 3.340 9.941 ( -0.818 1.730 -1.657) 2.531 10.088 ( 0.091 -1.071 0.786) 1.332 10.102 ( 0.769 -0.606 0.610) 1.154 10.137 ( 0.027 -0.653 -0.880) 1.096 10.144 ( 0.815 -0.871 -0.754) 1.411 11.941 ( -2.948 5.411 7.424) 9.648 12.288 ( -5.738 10.177 -7.232) 13.741 15.499 ( -2.206 3.545 1.393) 4.401 15.549 ( -3.445 4.479 0.095) 5.651 15.629 ( 2.198 2.535 2.705) 4.310 15.684 ( 0.708 3.072 -1.630) 3.548 16.236 ( 1.362 -5.273 0.300) 5.454 16.248 ( -0.109 -4.406 -2.559) 5.096 ======================= Grid point 86 (29/115) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -1.811 1.412 0.535) 2.358 1.128 ( 1.079 0.431 0.715) 1.364 1.151 ( 0.862 -2.916 -0.241) 3.050 1.212 ( 0.375 1.315 3.471) 3.731 1.238 ( -2.235 -0.398 0.696) 2.375 1.287 ( 1.907 0.972 1.901) 2.863 1.444 ( 1.446 -5.094 -0.643) 5.334 1.484 ( 3.682 -3.814 -0.696) 5.347 1.629 ( -0.247 0.875 0.879) 1.265 1.719 ( -0.641 1.774 -0.698) 2.012 1.767 ( -0.774 1.548 0.531) 1.810 1.783 ( -0.359 0.735 -0.547) 0.984 1.935 ( -1.938 0.252 -3.045) 3.618 1.996 ( -1.179 2.354 -1.687) 3.126 2.005 ( -1.126 0.589 -0.055) 1.272 2.024 ( 2.205 2.410 -0.215) 3.274 2.312 ( 0.512 -1.926 -0.132) 1.997 2.360 ( 0.310 -1.104 -0.166) 1.159 2.408 ( 2.869 -4.488 -0.581) 5.359 2.447 ( 1.776 -3.261 1.281) 3.928 2.500 ( 3.668 -7.052 2.805) 8.429 2.619 ( 0.075 -1.225 -1.050) 1.615 2.664 ( -0.067 1.256 -4.142) 4.329 2.745 ( 0.460 -1.991 1.020) 2.283 2.802 ( -0.205 0.282 -1.834) 1.867 2.988 ( -0.055 -0.098 3.833) 3.835 3.182 ( 2.815 -5.781 0.251) 6.435 3.355 ( -0.566 -1.117 -1.660) 2.080 3.458 ( 5.524 -9.810 6.364) 12.932 3.523 ( 2.380 -4.596 0.057) 5.176 3.573 ( 2.658 -2.720 0.110) 3.804 3.691 ( 0.610 -0.710 -0.629) 1.128 3.708 ( 0.810 -1.349 -1.388) 2.098 3.772 ( 0.589 0.048 0.269) 0.649 3.824 ( 0.700 -1.661 0.337) 1.834 3.905 ( 1.863 -3.478 -5.350) 6.648 4.190 ( -0.741 0.471 -1.645) 1.865 4.300 ( -0.597 1.192 0.574) 1.451 4.468 ( 1.054 -2.961 -1.593) 3.523 4.475 ( 2.162 -3.034 1.093) 3.883 4.717 ( -1.562 2.550 6.271) 6.948 4.854 ( -3.213 5.588 -3.954) 7.562 5.661 ( 1.083 -4.340 6.018) 7.498 5.892 ( -4.693 2.194 -9.226) 10.581 5.938 ( 4.449 0.170 -4.044) 6.015 6.003 ( 5.109 -3.049 3.204) 6.757 6.166 ( 3.584 -11.097 1.394) 11.745 6.391 ( 4.185 -9.491 1.183) 10.440 7.804 ( 0.881 -1.894 2.918) 3.588 7.822 ( 0.183 0.043 -1.954) 1.963 7.850 ( 1.704 -3.619 1.783) 4.379 7.963 ( 0.299 -0.570 -0.087) 0.649 8.381 ( 1.708 -3.737 -0.407) 4.129 8.392 ( 1.951 -3.808 -0.215) 4.284 8.701 ( 1.724 -3.255 5.473) 6.597 8.921 ( -1.569 2.281 -6.998) 7.526 9.015 ( 0.687 -1.172 0.843) 1.599 9.070 ( 0.205 0.473 2.065) 2.129 9.075 ( -0.222 0.953 -2.362) 2.556 9.137 ( 0.126 0.735 -0.400) 0.846 9.529 ( -3.418 4.483 0.042) 5.638 9.547 ( -1.566 4.475 -0.202) 4.745 9.591 ( -2.513 3.777 -0.219) 4.542 9.597 ( -1.473 3.503 0.276) 3.811 9.848 ( 0.343 -0.153 2.631) 2.658 9.896 ( -0.937 1.910 -1.679) 2.710 10.103 ( -0.321 -0.332 0.192) 0.500 10.110 ( 0.085 -0.090 0.169) 0.210 10.149 ( 0.677 -0.522 0.029) 0.855 10.160 ( 0.351 -0.727 -0.413) 0.907 11.852 ( -2.259 4.201 5.531) 7.304 12.032 ( -5.813 10.425 -6.044) 13.380 15.428 ( -1.810 3.148 0.961) 3.756 15.450 ( -2.762 3.374 0.265) 4.369 15.617 ( 1.900 2.253 1.355) 3.244 15.635 ( 0.884 2.881 -0.210) 3.021 16.300 ( -0.610 -3.564 -2.790) 4.567 16.334 ( 0.992 -4.128 0.897) 4.339 ======================= Grid point 87 (30/115) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -0.035 0.440 0.156) 0.468 1.123 ( -0.321 0.257 0.020) 0.412 1.146 ( -0.957 1.795 -1.049) 2.289 1.198 ( -0.185 0.705 2.608) 2.708 1.244 ( 0.069 -1.867 -0.148) 1.874 1.312 ( 0.679 -0.262 1.268) 1.462 1.524 ( 1.103 -0.955 -0.524) 1.550 1.540 ( 0.286 0.185 -0.883) 0.946 1.648 ( 0.618 -2.024 1.095) 2.383 1.675 ( -0.592 1.207 0.127) 1.350 1.750 ( -0.070 -0.014 0.057) 0.091 1.765 ( -0.594 1.494 -1.006) 1.896 1.830 ( -3.111 2.803 -7.211) 8.339 1.933 ( 0.484 1.093 -1.132) 1.646 2.027 ( 0.844 -1.275 2.716) 3.117 2.074 ( 1.634 -1.989 4.293) 5.006 2.334 ( -0.505 -0.720 -1.122) 1.425 2.369 ( 0.295 -0.185 -0.642) 0.731 2.446 ( 0.116 -0.312 -2.374) 2.397 2.493 ( 0.494 -0.864 -0.470) 1.101 2.584 ( 0.054 -0.688 -2.373) 2.472 2.617 ( -0.247 0.907 -2.147) 2.344 2.628 ( 0.055 -0.060 -4.243) 4.244 2.785 ( 0.701 -0.968 3.040) 3.266 2.821 ( 1.054 -1.971 -1.490) 2.686 2.991 ( -0.600 1.218 4.386) 4.591 3.285 ( 1.257 -3.855 -0.451) 4.080 3.350 ( -0.578 0.595 -1.056) 1.343 3.568 ( 1.099 -1.132 -0.489) 1.652 3.613 ( 0.398 -0.620 0.332) 0.808 3.664 ( 1.789 -2.835 1.302) 3.596 3.691 ( -0.650 1.186 -0.868) 1.607 3.739 ( 1.587 -2.194 0.680) 2.792 3.774 ( 0.039 0.606 0.851) 1.045 3.920 ( 0.191 -0.552 -0.581) 0.824 3.927 ( 3.279 -6.013 4.215) 8.042 4.179 ( 0.090 -0.826 -2.489) 2.624 4.278 ( -0.530 0.865 1.043) 1.455 4.504 ( 0.206 -1.024 -2.153) 2.393 4.536 ( 1.019 -1.391 0.507) 1.797 4.699 ( -3.666 6.715 -3.830) 8.556 4.721 ( 0.796 -1.530 4.609) 4.921 5.742 ( -3.574 4.732 -7.448) 9.520 5.782 ( 1.317 -5.911 2.818) 6.679 5.964 ( 1.535 -0.225 -3.601) 3.921 6.105 ( 3.245 -1.638 4.997) 6.179 6.356 ( 3.075 -6.554 0.647) 7.269 6.524 ( 0.366 -1.735 3.580) 3.995 7.790 ( -0.666 1.034 -2.798) 3.056 7.863 ( 1.256 -1.658 3.479) 4.053 7.937 ( 1.301 -3.044 2.680) 4.259 7.963 ( -0.203 1.034 1.083) 1.511 8.437 ( 0.669 -1.717 -0.869) 2.037 8.451 ( 0.709 -1.241 -0.673) 1.579 8.806 ( 1.883 -3.975 1.916) 4.798 8.841 ( -1.150 2.309 -3.666) 4.483 9.033 ( -1.005 1.296 -2.086) 2.654 9.049 ( 0.811 -1.074 -0.645) 1.492 9.071 ( 0.188 0.112 1.813) 1.826 9.120 ( -0.197 1.038 0.680) 1.256 9.447 ( -1.591 1.884 -0.279) 2.482 9.476 ( -0.810 2.018 -0.722) 2.291 9.528 ( -1.043 1.469 0.052) 1.802 9.546 ( -0.377 1.432 0.322) 1.515 9.850 ( -0.843 1.572 -1.247) 2.177 9.870 ( 0.511 -0.705 1.621) 1.840 10.095 ( -0.243 0.376 -0.744) 0.868 10.116 ( -0.150 -0.223 0.556) 0.617 10.160 ( 0.238 -0.186 0.104) 0.319 10.173 ( 0.297 -0.417 0.168) 0.539 11.807 ( -2.185 3.933 -1.351) 4.698 11.837 ( -1.042 2.163 0.289) 2.418 15.369 ( -1.871 1.304 -0.500) 2.335 15.406 ( -0.438 0.714 1.849) 2.030 15.583 ( -0.408 1.825 -1.401) 2.337 15.629 ( 1.060 0.311 2.479) 2.714 16.325 ( -0.389 -1.161 -2.896) 3.144 16.394 ( 1.286 -1.367 1.016) 2.134 ======================= Grid point 88 (31/115) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 0.921 0.197 -0.323) 0.996 1.100 ( -0.701 0.484 0.056) 0.854 1.125 ( -0.254 0.135 -1.084) 1.121 1.204 ( 0.355 -0.420 2.412) 2.474 1.288 ( -0.317 -1.097 0.542) 1.264 1.307 ( -0.267 1.409 2.115) 2.555 1.462 ( -1.717 4.830 -4.474) 6.804 1.498 ( -2.703 2.695 -0.880) 3.917 1.619 ( -1.812 1.348 -0.277) 2.275 1.716 ( 0.525 -2.396 0.214) 2.462 1.729 ( 0.618 0.030 -0.607) 0.867 1.767 ( 0.536 -0.786 -0.116) 0.958 1.833 ( 1.592 -3.747 -2.971) 5.040 1.918 ( 0.134 0.639 -1.824) 1.937 2.100 ( 3.616 -2.960 3.939) 6.112 2.121 ( -1.183 -1.969 3.906) 4.531 2.316 ( -1.249 1.090 -1.448) 2.202 2.366 ( -0.183 0.619 -1.662) 1.782 2.417 ( -1.177 1.955 -1.759) 2.881 2.486 ( -0.797 0.977 -1.310) 1.819 2.558 ( -0.416 1.973 -2.957) 3.579 2.575 ( -1.608 2.105 -2.146) 3.409 2.648 ( 1.600 -2.834 -4.367) 5.446 2.805 ( -0.012 -0.009 2.690) 2.690 2.848 ( 1.027 -0.358 -1.502) 1.855 2.969 ( -1.180 2.222 4.787) 5.408 3.292 ( -2.820 4.135 -0.300) 5.014 3.328 ( 0.624 -0.198 -1.582) 1.713 3.544 ( -0.729 6.533 0.306) 6.581 3.581 ( -2.891 0.032 -0.677) 2.969 3.660 ( -1.127 1.550 1.415) 2.382 3.689 ( 0.307 -0.065 -0.766) 0.828 3.747 ( -0.514 1.910 0.931) 2.186 3.773 ( -0.821 -0.546 0.252) 1.018 3.871 ( -1.055 2.215 0.849) 2.596 4.114 ( 2.891 -4.801 6.059) 8.253 4.205 ( 1.304 -2.141 -2.458) 3.511 4.270 ( -0.247 0.505 1.492) 1.595 4.479 ( -1.453 2.320 -1.640) 3.191 4.506 ( -1.438 2.755 -4.243) 5.259 4.594 ( -0.660 1.848 0.742) 2.098 4.811 ( 2.813 -4.930 1.679) 5.920 5.613 ( -2.694 4.320 -3.971) 6.457 5.896 ( 0.442 -3.478 -1.245) 3.721 5.958 ( -0.377 -1.606 -2.689) 3.155 6.144 ( 0.284 0.790 4.654) 4.729 6.418 ( 0.825 2.056 0.230) 2.227 6.468 ( -3.933 7.343 4.507) 9.471 7.755 ( -0.881 1.364 -1.767) 2.400 7.903 ( 0.436 0.178 2.563) 2.606 7.924 ( -0.959 2.192 1.744) 2.960 7.982 ( -0.018 -0.268 2.334) 2.350 8.435 ( -1.157 1.234 -1.028) 1.979 8.442 ( -0.443 1.881 -1.035) 2.192 8.722 ( -3.020 5.579 -1.048) 6.430 8.929 ( 2.050 -4.301 -1.357) 4.954 8.991 ( -0.392 0.556 -1.121) 1.312 9.065 ( -0.415 0.998 0.995) 1.469 9.091 ( 0.890 -2.261 -0.553) 2.492 9.126 ( 0.954 -1.058 1.340) 1.955 9.444 ( 1.163 -1.844 -0.378) 2.212 9.472 ( 0.920 -1.815 -0.788) 2.183 9.526 ( 0.695 -1.432 0.017) 1.592 9.550 ( 0.903 -1.388 0.342) 1.690 9.815 ( -0.734 1.087 -0.667) 1.471 9.899 ( 0.732 -1.315 0.915) 1.761 10.087 ( 0.005 0.220 -0.673) 0.708 10.117 ( -0.081 0.102 0.326) 0.351 10.161 ( -0.299 0.026 0.160) 0.340 10.179 ( 0.125 0.076 0.263) 0.301 11.720 ( -0.594 1.039 -1.798) 2.159 11.921 ( 4.098 -7.028 0.659) 8.162 15.360 ( -0.827 -2.009 -0.222) 2.184 15.425 ( 1.077 -1.703 1.795) 2.698 15.553 ( -1.548 0.084 -0.854) 1.770 15.651 ( -0.667 -1.793 1.751) 2.593 16.310 ( 0.399 1.777 -2.686) 3.245 16.407 ( 1.684 1.959 0.746) 2.689 ======================= Grid point 89 (32/115) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -4.913 4.495 -0.365) 6.669 1.113 ( 2.629 -0.144 0.463) 2.673 1.122 ( 0.398 1.330 -0.019) 1.388 1.177 ( -1.944 3.486 1.240) 4.179 1.235 ( -2.891 3.019 1.050) 4.310 1.291 ( 0.105 -1.028 1.970) 2.224 1.399 ( 0.438 -0.050 -3.210) 3.240 1.446 ( -1.562 0.223 -0.911) 1.822 1.612 ( -0.264 -0.784 0.251) 0.864 1.738 ( -0.039 0.139 -1.174) 1.183 1.747 ( 0.612 -1.813 -0.231) 1.928 1.782 ( 0.427 -0.444 0.193) 0.646 1.902 ( -0.385 -1.917 -1.379) 2.392 1.925 ( 2.607 -2.793 -1.108) 3.978 2.123 ( -0.922 1.066 3.005) 3.319 2.195 ( 1.068 -2.643 -0.635) 2.920 2.271 ( -1.419 2.274 -0.707) 2.772 2.318 ( -2.143 3.260 -2.753) 4.775 2.371 ( -1.292 2.491 1.741) 3.302 2.398 ( -4.818 8.666 0.621) 9.934 2.473 ( -1.737 3.125 0.120) 3.578 2.550 ( 0.222 -0.075 -2.267) 2.279 2.705 ( 1.967 -2.796 -3.297) 4.750 2.795 ( -0.970 2.306 1.418) 2.875 2.846 ( 0.955 0.236 -2.567) 2.749 2.925 ( -1.801 3.105 5.039) 6.186 3.176 ( -2.827 4.661 0.325) 5.461 3.308 ( -0.342 1.832 -3.214) 3.715 3.396 ( -3.213 8.006 3.504) 9.311 3.547 ( -2.023 1.606 -0.406) 2.615 3.592 ( -3.096 5.143 1.669) 6.231 3.679 ( -0.310 0.818 -1.232) 1.511 3.723 ( -0.258 0.594 1.211) 1.373 3.755 ( -1.491 0.968 -0.850) 1.970 3.855 ( 0.344 -0.160 0.614) 0.722 4.098 ( -3.220 6.031 -1.294) 6.959 4.245 ( 1.343 -1.673 -2.022) 2.948 4.260 ( -0.483 0.178 1.433) 1.523 4.406 ( -1.941 3.447 -1.221) 4.140 4.511 ( 0.587 -0.357 0.187) 0.712 4.586 ( 1.560 -2.524 2.014) 3.586 4.922 ( 2.647 -4.516 -0.383) 5.249 5.526 ( -1.472 2.892 -0.058) 3.246 5.857 ( -2.589 3.126 -1.864) 4.466 5.997 ( -3.345 -2.003 -3.064) 4.958 6.134 ( 0.180 1.542 0.688) 1.698 6.248 ( -6.144 12.589 4.780) 14.801 6.350 ( 0.114 5.888 -0.686) 5.929 7.717 ( -0.995 1.524 -0.642) 1.930 7.835 ( -1.953 4.655 2.177) 5.497 7.938 ( 0.486 -0.501 1.140) 1.337 7.972 ( -0.624 1.212 0.806) 1.584 8.372 ( -1.806 4.210 -0.280) 4.589 8.390 ( -1.411 2.467 -0.785) 2.948 8.605 ( -2.460 4.682 1.134) 5.410 8.943 ( -0.324 0.093 -2.169) 2.195 9.032 ( 0.497 -0.346 0.025) 0.606 9.048 ( 0.224 -1.654 -0.735) 1.824 9.132 ( 0.568 -1.659 -0.739) 1.903 9.154 ( 0.424 -0.597 0.835) 1.111 9.519 ( 2.968 -4.484 0.008) 5.377 9.540 ( 2.035 -4.382 -0.341) 4.843 9.586 ( 1.962 -4.000 -0.140) 4.458 9.606 ( 2.065 -3.361 0.245) 3.952 9.798 ( -0.467 0.297 0.459) 0.719 9.932 ( 0.764 -1.554 0.166) 1.740 10.082 ( 0.084 0.276 -0.284) 0.404 10.112 ( -0.352 0.505 0.205) 0.649 10.156 ( -0.248 0.266 0.004) 0.363 10.173 ( -0.330 0.515 0.041) 0.613 11.750 ( 1.937 -3.537 0.816) 4.115 12.126 ( 6.361 -11.005 -1.525) 12.803 15.415 ( 0.483 -4.500 0.517) 4.555 15.488 ( 1.988 -3.309 1.256) 4.059 15.547 ( -2.050 -1.685 -0.233) 2.664 15.684 ( -2.065 -3.114 0.932) 3.851 16.260 ( 1.018 3.997 -2.303) 4.724 16.368 ( 1.518 4.625 0.259) 4.875 ======================= Grid point 90 (33/115) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -8.532 13.376 6.093) 16.995 0.905 ( -9.400 14.510 3.778) 17.697 1.168 ( 1.544 -0.311 -0.780) 1.758 1.217 ( 2.551 -4.583 1.593) 5.482 1.242 ( 1.485 -2.604 -0.598) 3.057 1.310 ( -0.565 0.795 0.671) 1.184 1.412 ( 0.882 -1.189 -1.746) 2.289 1.456 ( 0.180 -2.304 -0.687) 2.410 1.580 ( -3.632 6.387 1.322) 7.466 1.712 ( -1.179 1.200 -1.181) 2.055 1.761 ( -1.067 2.780 0.773) 3.076 1.797 ( 0.574 -1.150 -0.230) 1.305 1.919 ( -0.290 -1.241 -0.614) 1.415 1.978 ( -0.375 1.868 2.209) 2.917 2.066 ( -2.884 4.816 3.838) 6.800 2.116 ( -3.735 4.037 -0.585) 5.531 2.175 ( -0.941 3.369 -4.886) 6.009 2.246 ( -0.243 1.918 1.241) 2.297 2.263 ( -1.993 1.974 2.222) 3.579 2.352 ( -0.801 1.700 1.762) 2.576 2.408 ( -1.965 3.421 0.943) 4.056 2.552 ( 0.456 -0.239 -1.156) 1.265 2.707 ( -1.991 5.447 0.043) 5.800 2.725 ( -0.661 1.397 -2.136) 2.637 2.871 ( 2.138 -2.502 -2.420) 4.085 2.882 ( -0.897 1.975 2.798) 3.541 3.105 ( -1.827 3.027 2.492) 4.326 3.246 ( -1.187 2.709 -4.035) 5.003 3.285 ( -1.528 3.240 3.967) 5.346 3.449 ( -3.247 6.208 0.997) 7.076 3.490 ( -2.655 4.870 -1.930) 5.873 3.658 ( 0.095 -0.378 -1.814) 1.855 3.719 ( -0.252 0.318 -0.667) 0.781 3.728 ( -0.581 0.207 0.271) 0.674 3.870 ( 0.309 -0.816 -1.025) 1.346 3.965 ( -2.203 4.097 -3.233) 5.665 4.252 ( 0.801 1.826 0.557) 2.071 4.257 ( -1.937 0.115 0.583) 2.026 4.345 ( -0.860 0.746 -1.500) 1.883 4.463 ( -1.701 3.440 0.106) 3.840 4.710 ( 3.277 -5.627 3.123) 7.222 4.996 ( 1.440 -2.397 -1.386) 3.121 5.492 ( -0.085 0.947 3.520) 3.646 5.768 ( -3.066 3.388 -0.684) 4.620 5.928 ( -5.849 2.754 -1.510) 6.639 5.994 ( -5.363 11.197 3.371) 12.864 6.043 ( -1.209 8.917 -1.940) 9.205 6.325 ( 2.241 -2.225 -5.510) 6.351 7.684 ( -0.861 1.331 0.513) 1.666 7.751 ( -1.658 4.070 2.447) 5.030 7.939 ( 0.115 0.815 -1.498) 1.709 7.953 ( -0.334 0.255 -0.621) 0.750 8.282 ( -1.885 4.075 0.111) 4.491 8.324 ( -1.665 3.306 -0.482) 3.733 8.548 ( -0.636 1.361 3.803) 4.089 8.937 ( -0.127 -0.084 -0.373) 0.403 9.006 ( -1.100 1.829 2.488) 3.278 9.094 ( 1.051 -2.412 -4.243) 4.993 9.147 ( 0.013 -0.156 -0.932) 0.945 9.163 ( -0.136 -0.689 -1.177) 1.371 9.628 ( 2.751 -4.664 0.570) 5.445 9.639 ( 2.587 -4.673 0.096) 5.342 9.675 ( 1.749 -4.167 -0.075) 4.520 9.692 ( 2.489 -3.863 -0.021) 4.596 9.799 ( -0.250 -0.454 1.548) 1.632 9.963 ( 0.647 -1.456 -0.416) 1.647 10.075 ( -0.106 0.578 0.242) 0.635 10.095 ( -0.742 0.940 0.337) 1.245 10.147 ( -0.004 0.574 -0.586) 0.821 10.156 ( -0.805 0.871 -0.253) 1.212 11.855 ( 2.749 -4.909 3.487) 6.619 12.364 ( 6.086 -10.651 -3.505) 12.758 15.505 ( 1.178 -4.391 1.404) 4.758 15.559 ( -0.697 -3.189 -0.077) 3.265 15.581 ( 1.705 -3.344 1.237) 3.952 15.717 ( -2.277 -3.128 0.263) 3.878 16.188 ( 0.734 4.672 -2.143) 5.193 16.293 ( 0.654 5.345 -0.434) 5.403 ======================= Grid point 91 (34/115) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( -10.040 14.472 11.930) 21.273 0.596 ( -6.521 14.154 16.779) 22.900 1.079 ( -11.499 21.939 16.492) 29.757 1.185 ( -4.436 5.885 -0.964) 7.433 1.233 ( -1.742 5.749 -2.518) 6.513 1.323 ( 1.430 -2.487 1.197) 3.109 1.325 ( 1.966 -2.319 1.878) 3.574 1.482 ( 0.799 -2.198 -2.861) 3.695 1.503 ( 0.636 -2.407 -1.418) 2.864 1.690 ( -0.324 0.287 0.417) 0.601 1.737 ( 1.229 -1.951 5.652) 6.104 1.838 ( 1.562 -2.755 -0.530) 3.211 1.930 ( 0.282 -0.197 -0.131) 0.368 1.946 ( -0.591 0.878 1.107) 1.531 2.061 ( -2.392 0.228 -2.927) 3.787 2.083 ( -0.658 3.797 -3.977) 5.538 2.094 ( 1.623 -2.592 1.394) 3.361 2.222 ( -0.259 0.991 2.261) 2.483 2.243 ( -0.749 1.045 4.003) 4.205 2.316 ( -0.735 1.727 1.386) 2.333 2.337 ( -1.646 2.877 1.267) 3.549 2.550 ( 0.054 0.534 -0.965) 1.104 2.583 ( -2.442 5.592 0.174) 6.105 2.670 ( -1.099 2.518 -3.720) 4.625 2.858 ( -0.565 0.783 2.343) 2.534 2.938 ( 2.220 -3.125 -0.866) 3.930 3.041 ( -1.765 3.154 2.583) 4.442 3.188 ( -0.759 1.057 -3.844) 4.058 3.248 ( -1.530 2.821 0.386) 3.232 3.352 ( -2.568 4.628 -5.691) 7.772 3.376 ( -0.262 1.154 4.099) 4.267 3.685 ( 0.626 -1.281 -0.766) 1.619 3.719 ( 0.561 -0.588 -0.716) 1.083 3.725 ( -0.310 -0.507 -0.451) 0.746 3.852 ( -1.435 2.557 -4.885) 5.697 3.906 ( -0.258 0.736 -3.689) 3.770 4.209 ( -0.589 2.438 0.888) 2.660 4.230 ( -2.075 1.541 2.432) 3.548 4.346 ( 0.245 -0.975 -1.969) 2.211 4.394 ( -1.341 2.526 -0.714) 2.948 4.823 ( 1.900 -3.355 3.027) 4.902 5.028 ( 0.698 -1.215 -0.964) 1.701 5.515 ( 1.195 -1.102 6.416) 6.618 5.696 ( -1.952 1.949 0.388) 2.785 5.786 ( -3.495 7.449 0.786) 8.265 5.843 ( -4.166 2.477 -0.848) 4.921 5.887 ( -0.652 6.890 -1.373) 7.056 6.363 ( 1.480 -2.570 -10.769) 11.170 7.664 ( -0.374 0.654 1.646) 1.810 7.691 ( -1.073 2.526 2.515) 3.722 7.921 ( 0.384 0.327 -3.273) 3.312 7.940 ( -0.509 0.366 -2.349) 2.431 8.214 ( -1.094 2.313 0.346) 2.582 8.260 ( -1.069 2.192 -0.567) 2.504 8.558 ( 0.221 -0.207 6.303) 6.311 8.941 ( 0.167 -0.221 1.309) 1.337 8.976 ( -1.075 1.554 2.866) 3.432 9.116 ( 0.551 -1.003 -3.677) 3.851 9.138 ( -0.172 0.514 -1.036) 1.169 9.165 ( -0.260 -0.861 -4.706) 4.792 9.719 ( 1.673 -3.250 0.370) 3.674 9.731 ( 2.174 -3.182 0.826) 3.941 9.746 ( 0.866 -2.629 0.184) 2.774 9.765 ( 1.835 -2.241 0.264) 2.909 9.813 ( -0.471 -0.516 1.703) 1.841 9.987 ( 0.358 -0.933 -0.846) 1.309 10.063 ( -0.405 0.678 0.589) 0.986 10.073 ( -0.568 0.924 0.508) 1.197 10.129 ( 0.198 1.474 -0.975) 1.778 10.133 ( -1.170 0.425 -0.887) 1.529 11.966 ( 1.874 -3.296 5.910) 7.022 12.543 ( 3.614 -6.500 -5.264) 9.111 15.572 ( -0.059 -2.653 1.371) 2.987 15.605 ( 0.405 -1.991 1.010) 2.270 15.664 ( 2.762 -3.298 1.543) 4.570 15.743 ( -0.983 -1.745 -0.229) 2.016 16.106 ( -0.910 4.497 -2.602) 5.275 16.216 ( -0.183 3.364 -1.263) 3.598 ======================= Grid point 93 (35/115) ======================= q-point: ( 0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 12.581 0.000 13.841) 18.704 0.736 ( 13.004 0.000 16.951) 21.365 1.129 ( 2.101 0.000 -5.013) 5.435 1.176 ( 6.737 0.000 -5.583) 8.750 1.289 ( 3.203 0.000 8.278) 8.876 1.359 ( -3.164 -0.000 2.491) 4.027 1.380 ( 8.825 0.000 13.856) 16.427 1.448 ( -0.658 -0.000 -1.239) 1.402 1.480 ( -1.090 -0.000 -3.372) 3.544 1.700 ( -0.004 -0.000 0.757) 0.757 1.785 ( -2.567 -0.000 3.012) 3.957 1.846 ( -3.398 -0.000 -0.120) 3.400 1.915 ( -0.448 -0.000 -0.390) 0.594 1.965 ( 4.286 0.000 1.323) 4.486 2.032 ( 1.108 0.000 -2.323) 2.574 2.042 ( 3.582 0.000 -3.047) 4.702 2.113 ( -3.057 -0.000 2.958) 4.254 2.248 ( -0.035 -0.000 2.159) 2.160 2.291 ( 0.652 0.000 4.559) 4.605 2.316 ( 0.993 0.000 -0.003) 0.993 2.353 ( 3.971 0.000 1.223) 4.155 2.533 ( 0.344 0.000 -2.861) 2.882 2.580 ( 5.035 0.000 0.332) 5.046 2.615 ( 2.980 0.000 -5.191) 5.985 2.876 ( 0.025 0.000 3.366) 3.367 2.939 ( -4.056 -0.000 0.405) 4.077 3.075 ( 3.918 0.000 3.501) 5.255 3.143 ( -0.055 -0.000 -4.732) 4.732 3.235 ( 5.764 0.000 -1.303) 5.909 3.279 ( 6.540 0.000 -8.244) 10.523 3.434 ( -1.036 -0.000 7.418) 7.490 3.678 ( -1.767 -0.000 -0.889) 1.978 3.717 ( -1.410 -0.000 -1.552) 2.097 3.725 ( 0.649 0.000 0.760) 1.000 3.816 ( 4.139 0.000 -3.067) 5.152 3.849 ( 0.528 0.000 -5.991) 6.014 4.228 ( 2.056 0.000 1.759) 2.706 4.249 ( 1.867 0.000 2.845) 3.403 4.321 ( -0.991 -0.000 -2.552) 2.737 4.394 ( 4.077 0.000 -1.193) 4.248 4.859 ( -3.452 -0.000 4.128) 5.381 5.010 ( -1.922 -0.000 -2.210) 2.929 5.582 ( -2.389 -0.000 8.181) 8.523 5.707 ( 1.716 0.000 1.566) 2.323 5.811 ( 9.792 0.000 3.058) 10.259 5.835 ( 2.696 0.000 -1.309) 2.997 5.839 ( 4.637 0.000 -3.500) 5.809 6.238 ( -0.118 -0.000 -14.244) 14.244 7.675 ( -0.599 -0.000 2.851) 2.913 7.729 ( 3.309 0.000 3.956) 5.158 7.882 ( 0.606 0.000 -4.506) 4.546 7.905 ( 0.544 0.000 -3.941) 3.978 8.217 ( 2.275 0.000 0.580) 2.347 8.250 ( 2.191 0.000 -0.833) 2.344 8.639 ( -0.619 -0.000 9.225) 9.246 8.956 ( -1.283 -0.000 2.043) 2.412 9.018 ( 2.578 0.000 3.745) 4.547 9.059 ( -2.311 -0.000 -7.255) 7.614 9.121 ( 1.052 0.000 -4.421) 4.544 9.130 ( 1.261 0.000 -1.451) 1.922 9.723 ( -3.632 -0.000 0.460) 3.662 9.739 ( -3.640 -0.000 0.086) 3.641 9.755 ( -3.051 -0.000 0.303) 3.066 9.756 ( -2.125 -0.000 -0.181) 2.133 9.850 ( -0.013 -0.000 3.394) 3.394 9.975 ( -0.682 -0.000 -1.641) 1.777 10.071 ( 1.022 0.000 0.717) 1.248 10.077 ( 0.719 0.000 0.909) 1.159 10.118 ( 1.043 0.000 -0.725) 1.271 10.125 ( 1.155 0.000 -1.326) 1.758 12.045 ( -4.117 -0.000 9.148) 10.032 12.475 ( -6.785 -0.000 -8.343) 10.753 15.603 ( -1.929 -0.000 1.444) 2.410 15.619 ( -1.917 -0.000 1.129) 2.225 15.658 ( -4.384 -0.000 -0.076) 4.385 15.725 ( -1.265 -0.000 -1.655) 2.083 16.113 ( 4.634 0.000 0.543) 4.665 16.189 ( 3.168 0.000 -1.130) 3.364 ======================= Grid point 94 (36/115) ======================= q-point: ( 0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 9.264 -10.285 7.857) 15.916 0.961 ( 10.715 -5.999 12.952) 17.848 1.161 ( 1.130 -2.404 -2.331) 3.534 1.223 ( -1.224 1.338 -0.901) 2.025 1.267 ( 0.038 0.261 -0.237) 0.355 1.314 ( -1.060 0.680 0.078) 1.261 1.388 ( -1.616 0.879 -2.219) 2.882 1.441 ( -0.712 1.023 -3.867) 4.063 1.610 ( 3.851 -3.281 5.949) 7.809 1.712 ( -0.090 -1.240 -0.146) 1.252 1.792 ( -0.981 -0.268 1.136) 1.525 1.814 ( -1.789 -0.020 0.382) 1.829 1.909 ( 0.061 -1.558 1.460) 2.135 1.993 ( 3.771 1.831 -1.147) 4.346 2.037 ( 0.359 -0.426 -0.226) 0.601 2.088 ( 0.503 -1.550 -3.467) 3.830 2.134 ( 8.041 -1.841 8.000) 11.491 2.278 ( 0.188 -2.201 0.772) 2.340 2.319 ( 1.090 -1.642 2.253) 2.993 2.348 ( 2.310 -1.760 1.352) 3.204 2.395 ( 4.178 0.134 0.961) 4.289 2.545 ( 0.294 -2.144 -2.453) 3.271 2.645 ( 2.803 -1.971 -1.527) 3.752 2.657 ( 3.794 -2.482 -2.626) 5.239 2.874 ( 1.086 2.036 1.737) 2.888 2.918 ( -4.060 -2.293 0.640) 4.707 3.096 ( 3.782 1.997 2.556) 4.983 3.167 ( 1.027 -4.304 -3.249) 5.490 3.299 ( 5.050 -1.010 1.660) 5.411 3.387 ( 6.771 -5.500 -4.764) 9.939 3.469 ( 3.107 -2.070 4.397) 5.768 3.651 ( -1.785 -0.008 -2.527) 3.093 3.714 ( 0.954 1.225 -0.444) 1.615 3.730 ( -1.023 -2.027 -0.718) 2.381 3.826 ( 2.665 1.141 -1.827) 3.427 3.847 ( 2.016 -0.440 -4.500) 4.951 4.234 ( 1.996 1.448 0.945) 2.641 4.287 ( -1.110 -2.062 -0.693) 2.442 4.347 ( 1.170 -3.407 0.911) 3.716 4.430 ( 4.789 0.532 -1.110) 4.944 4.815 ( -4.233 2.259 5.096) 6.999 4.968 ( -2.563 1.526 -3.190) 4.367 5.590 ( -1.180 -0.251 8.255) 8.343 5.790 ( 2.005 -6.444 1.287) 6.870 5.853 ( 2.604 -1.106 -4.459) 5.281 5.922 ( 1.824 -5.361 -3.739) 6.786 5.945 ( 11.985 -1.692 3.537) 12.610 6.203 ( 5.404 0.804 -9.454) 10.919 7.699 ( -0.679 -2.340 2.811) 3.720 7.785 ( 4.307 -0.617 4.305) 6.121 7.859 ( 0.860 1.345 -4.387) 4.669 7.919 ( 1.013 -1.787 -3.198) 3.801 8.263 ( 3.043 -2.199 0.557) 3.796 8.288 ( 2.958 -1.868 -0.831) 3.596 8.663 ( -0.286 0.114 8.875) 8.880 8.947 ( -2.494 -0.394 -1.716) 3.053 9.009 ( -0.541 0.752 -3.604) 3.721 9.061 ( 1.799 -0.534 2.556) 3.171 9.107 ( 1.204 0.875 -3.734) 4.020 9.143 ( 0.980 -0.340 -1.452) 1.784 9.662 ( -4.955 2.528 0.355) 5.574 9.676 ( -4.190 2.389 0.224) 4.828 9.706 ( -3.588 2.203 -0.159) 4.214 9.711 ( -2.787 2.499 -0.139) 3.746 9.856 ( -0.366 0.306 3.396) 3.429 9.953 ( -0.748 1.101 -1.760) 2.207 10.079 ( 0.320 -0.208 0.782) 0.870 10.104 ( 1.254 -0.940 0.787) 1.754 10.118 ( 0.169 -0.149 -0.752) 0.785 10.146 ( 1.532 -0.767 -1.111) 2.042 12.000 ( -5.551 3.161 8.678) 10.776 12.325 ( -8.456 5.441 -8.188) 12.968 15.532 ( -3.439 3.213 0.793) 4.772 15.583 ( -3.795 3.507 0.100) 5.168 15.638 ( -2.623 -2.209 1.376) 3.695 15.706 ( -1.295 0.484 -2.028) 2.455 16.186 ( 3.469 -3.200 0.570) 4.754 16.229 ( 4.972 -0.076 -0.637) 5.013 ======================= Grid point 95 (37/115) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 0.896 -0.562 2.668) 2.870 1.115 ( 1.900 -2.140 1.578) 3.268 1.152 ( -0.517 1.684 0.141) 1.768 1.217 ( 2.353 -2.082 5.758) 6.559 1.254 ( -1.404 -0.080 0.275) 1.433 1.329 ( 2.251 1.350 0.736) 2.726 1.388 ( 1.600 -2.735 -1.018) 3.328 1.447 ( 2.526 -3.406 -4.022) 5.845 1.637 ( -0.654 0.603 1.242) 1.528 1.725 ( -0.864 -0.580 -1.204) 1.592 1.760 ( -1.760 0.826 -0.547) 2.020 1.785 ( -2.178 1.016 0.116) 2.407 1.945 ( -3.551 -1.083 3.250) 4.934 1.970 ( 1.209 3.263 -1.753) 3.896 2.041 ( -0.413 0.946 -2.728) 2.917 2.064 ( 1.774 -0.015 -3.209) 3.667 2.307 ( 3.718 -1.227 -0.024) 3.915 2.341 ( 3.060 -3.872 1.163) 5.070 2.388 ( 4.149 -2.406 1.155) 4.933 2.418 ( 2.574 -3.074 0.836) 4.096 2.461 ( 5.113 -3.653 3.908) 7.400 2.577 ( -0.248 -2.138 -2.431) 3.247 2.690 ( 2.530 -0.568 -0.443) 2.631 2.713 ( 1.472 -1.968 -1.448) 2.852 2.839 ( 2.108 3.774 -1.153) 4.475 2.948 ( -3.022 -4.601 2.033) 5.868 3.127 ( 1.686 -1.596 1.880) 2.987 3.255 ( -3.262 -5.836 -1.280) 6.807 3.397 ( 6.207 -5.512 5.575) 10.000 3.500 ( 4.862 -2.973 -2.049) 6.056 3.575 ( 5.132 -2.460 1.293) 5.836 3.666 ( 1.647 -2.910 -2.152) 3.976 3.712 ( 2.418 0.384 -0.900) 2.608 3.756 ( -0.654 -2.310 -0.333) 2.424 3.826 ( 1.731 0.601 0.095) 1.835 3.874 ( 3.413 -1.552 -4.441) 5.812 4.224 ( 2.684 2.347 -0.560) 3.609 4.305 ( -0.710 -1.403 -0.728) 1.733 4.425 ( 1.019 -3.594 1.599) 4.064 4.457 ( 2.879 -0.191 -1.256) 3.147 4.752 ( -3.974 2.400 6.129) 7.688 4.883 ( -3.732 3.722 -4.123) 6.691 5.631 ( -0.240 -2.410 7.251) 7.645 5.827 ( -3.566 0.023 -9.131) 9.802 5.965 ( 2.829 -8.884 2.264) 9.595 5.992 ( 5.104 -1.064 -4.846) 7.118 6.111 ( 11.696 -2.915 3.706) 12.611 6.299 ( 7.713 -6.253 -1.360) 10.022 7.754 ( -0.799 -3.799 2.715) 4.738 7.829 ( 0.603 1.226 -3.379) 3.645 7.860 ( 4.718 -1.194 3.933) 6.257 7.952 ( 1.494 -1.514 -1.709) 2.729 8.341 ( 2.645 -3.200 0.228) 4.158 8.355 ( 2.775 -2.941 -0.599) 4.088 8.699 ( 0.942 -1.187 7.109) 7.269 8.900 ( -2.637 0.691 -6.930) 7.447 9.007 ( 0.025 -0.734 0.854) 1.127 9.075 ( 0.478 0.854 -2.052) 2.274 9.100 ( 1.171 0.710 1.483) 2.018 9.147 ( 0.630 0.311 -1.121) 1.323 9.559 ( -5.013 3.728 0.291) 6.254 9.592 ( -3.643 3.244 -0.065) 4.878 9.619 ( -3.791 3.408 -0.149) 5.100 9.634 ( -2.428 3.299 -0.077) 4.097 9.860 ( -0.205 0.131 2.866) 2.876 9.915 ( -0.632 1.836 -1.746) 2.612 10.089 ( -0.442 -0.658 0.720) 1.071 10.105 ( -0.582 0.202 -0.697) 0.930 10.145 ( 1.260 -1.215 0.780) 1.916 10.164 ( 1.424 -0.143 -0.919) 1.701 11.909 ( -5.272 4.174 6.856) 9.603 12.101 ( -7.993 8.212 -6.996) 13.427 15.456 ( -3.209 2.303 0.844) 4.039 15.484 ( -3.204 4.153 0.061) 5.246 15.642 ( -2.363 -0.528 1.302) 2.749 15.667 ( -1.632 1.689 -1.561) 2.820 16.273 ( 4.282 -1.170 -0.931) 4.536 16.283 ( 3.063 -3.336 0.542) 4.561 ======================= Grid point 96 (38/115) ======================= q-point: ( 0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -0.496 0.656 0.424) 0.925 1.117 ( -0.897 -0.273 -0.713) 1.178 1.159 ( 0.570 0.697 -0.936) 1.299 1.227 ( -0.780 1.304 1.755) 2.321 1.259 ( 2.220 1.458 2.957) 3.975 1.330 ( 2.415 1.537 0.719) 2.952 1.487 ( 2.563 -4.839 -1.284) 5.625 1.528 ( 1.232 -3.101 -1.393) 3.616 1.635 ( 0.223 -0.689 1.792) 1.933 1.693 ( -1.428 1.792 -0.446) 2.334 1.743 ( -1.399 -0.254 -2.867) 3.200 1.755 ( -1.222 0.416 -0.075) 1.292 1.847 ( -3.312 6.128 -2.833) 7.520 1.935 ( -4.656 -1.443 3.465) 5.981 2.027 ( 4.367 1.991 -2.740) 5.527 2.112 ( 3.067 -1.537 1.887) 3.916 2.337 ( 2.307 -0.042 -1.303) 2.650 2.387 ( 1.718 -0.169 -0.489) 1.794 2.429 ( 1.393 -0.519 -2.148) 2.612 2.485 ( 1.728 -1.381 0.490) 2.265 2.566 ( 1.807 -1.440 -1.203) 2.605 2.596 ( 0.940 -1.120 -1.713) 2.252 2.677 ( 2.381 3.545 -2.673) 5.038 2.770 ( 0.314 -2.767 2.400) 3.676 2.814 ( 2.530 0.563 -1.479) 2.984 2.997 ( -1.782 -1.991 3.917) 4.741 3.173 ( -3.335 -4.361 -0.966) 5.575 3.283 ( -5.270 -4.118 0.368) 6.698 3.572 ( 4.449 -1.337 -1.847) 4.999 3.600 ( 4.316 -5.549 2.510) 7.464 3.654 ( 3.873 -1.955 1.379) 4.552 3.707 ( 0.996 -0.970 0.102) 1.394 3.725 ( 1.562 0.530 -1.392) 2.158 3.787 ( 0.642 -0.802 0.872) 1.348 3.877 ( 3.782 -4.489 4.614) 7.466 3.919 ( 2.440 -0.873 -3.894) 4.678 4.210 ( 3.932 2.495 -1.510) 4.895 4.309 ( 1.214 1.086 0.358) 1.668 4.472 ( 0.673 -1.762 -1.564) 2.450 4.505 ( 0.034 -2.996 0.659) 3.068 4.716 ( -2.762 0.052 5.476) 6.133 4.749 ( -4.565 5.679 -4.332) 8.477 5.710 ( 0.109 -4.444 4.602) 6.399 5.735 ( -4.032 2.142 -7.705) 8.956 6.023 ( 6.857 2.497 -4.371) 8.507 6.128 ( 4.053 -4.354 3.382) 6.843 6.285 ( 7.236 -5.570 2.350) 9.429 6.472 ( 2.642 -6.380 2.017) 7.193 7.795 ( 0.050 0.757 -2.146) 2.276 7.825 ( -0.940 -3.236 2.167) 4.006 7.942 ( 4.250 -1.574 3.539) 5.750 7.979 ( 1.486 -0.206 0.031) 1.501 8.404 ( 0.865 -2.310 -0.608) 2.541 8.421 ( 0.799 -2.520 -0.434) 2.679 8.771 ( 2.016 -3.272 4.037) 5.574 8.844 ( -1.390 1.057 -5.630) 5.895 9.024 ( -0.341 -0.938 0.556) 1.143 9.044 ( -0.594 1.336 -2.337) 2.757 9.098 ( 0.609 1.335 1.963) 2.451 9.136 ( -0.168 0.924 -0.370) 1.010 9.465 ( -2.844 2.577 0.067) 3.838 9.505 ( -2.410 2.967 -0.840) 3.914 9.542 ( -2.153 2.168 0.216) 3.063 9.566 ( -1.801 2.162 0.164) 2.819 9.866 ( -0.104 0.586 0.611) 0.853 9.875 ( -0.216 1.072 -0.092) 1.097 10.088 ( -0.871 0.043 -0.524) 1.018 10.101 ( -0.884 -0.798 0.463) 1.278 10.170 ( 1.063 0.410 -0.496) 1.243 10.176 ( 1.262 -0.544 0.564) 1.486 11.831 ( -3.076 2.053 3.612) 5.169 11.883 ( -5.341 6.976 -4.391) 9.822 15.389 ( -2.118 3.191 0.059) 3.830 15.414 ( -1.886 0.871 1.203) 2.401 15.601 ( -2.011 2.353 -1.635) 3.501 15.633 ( -2.959 -0.038 1.999) 3.571 16.316 ( 3.831 -0.327 -1.829) 4.258 16.374 ( 2.507 -3.494 0.626) 4.346 ======================= Grid point 97 (39/115) ======================= q-point: (-0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -0.349 0.206 -0.944) 1.028 1.119 ( 0.091 0.094 -1.133) 1.141 1.146 ( 1.819 1.565 0.513) 2.454 1.206 ( -0.571 0.348 2.294) 2.389 1.283 ( 2.115 -0.642 1.745) 2.816 1.324 ( 1.035 1.218 1.355) 2.096 1.498 ( -2.702 2.353 -2.808) 4.552 1.548 ( 1.447 3.672 -1.296) 4.154 1.623 ( -2.192 1.821 -0.444) 2.884 1.678 ( -0.921 -1.215 -0.597) 1.637 1.722 ( 0.195 -2.163 -2.270) 3.141 1.758 ( 0.275 -0.725 0.152) 0.791 1.773 ( -0.563 -0.593 -0.598) 1.013 1.948 ( -0.370 -1.211 1.432) 1.912 2.039 ( 1.987 -1.201 0.436) 2.362 2.161 ( 1.878 -0.255 2.435) 3.086 2.345 ( 2.050 1.084 -1.549) 2.789 2.392 ( 1.389 1.143 -0.826) 1.979 2.427 ( 1.329 1.271 -1.798) 2.572 2.497 ( 0.784 1.116 -0.755) 1.559 2.567 ( 0.969 1.273 -3.078) 3.469 2.602 ( 0.905 0.797 -2.340) 2.632 2.641 ( 2.915 1.821 -2.698) 4.369 2.798 ( -0.795 -1.010 1.353) 1.866 2.851 ( 2.003 -1.059 0.039) 2.266 3.003 ( -0.775 0.837 4.194) 4.347 3.194 ( -7.582 -4.469 -2.092) 9.046 3.298 ( -5.389 -3.211 1.283) 6.403 3.598 ( 2.885 2.187 -1.496) 3.917 3.640 ( 1.818 2.977 0.508) 3.525 3.684 ( 0.445 1.919 -0.081) 1.972 3.702 ( 1.395 0.504 -0.245) 1.503 3.749 ( -0.214 -1.056 -0.329) 1.126 3.787 ( -0.114 1.678 0.929) 1.921 3.900 ( -0.916 2.437 0.024) 2.604 4.069 ( 5.037 -7.861 6.680) 11.480 4.219 ( 5.110 0.812 -1.618) 5.421 4.305 ( 2.453 1.512 0.812) 2.994 4.483 ( -1.119 0.374 -1.495) 1.904 4.512 ( -2.843 1.739 -3.107) 4.556 4.615 ( -2.607 2.842 -1.019) 3.989 4.750 ( -0.446 -4.451 2.577) 5.163 5.636 ( -2.194 3.117 -4.302) 5.748 5.812 ( 0.248 -5.857 1.443) 6.037 6.006 ( 4.787 4.668 -3.525) 7.558 6.194 ( 2.604 1.384 3.042) 4.237 6.420 ( 2.699 -3.355 0.769) 4.374 6.526 ( -2.915 1.586 3.995) 5.194 7.767 ( -0.058 1.433 -1.577) 2.131 7.874 ( -1.461 -2.841 2.091) 3.818 7.966 ( 0.099 2.369 1.176) 2.647 8.010 ( 2.717 0.008 2.796) 3.899 8.421 ( -1.461 -0.399 -1.177) 1.918 8.447 ( -0.363 -0.782 -0.781) 1.163 8.773 ( -1.671 3.569 -1.998) 4.419 8.874 ( 1.985 -4.343 0.599) 4.812 8.996 ( -0.987 1.418 -1.509) 2.294 9.055 ( 0.041 -1.990 0.035) 1.990 9.084 ( 0.006 1.207 0.348) 1.256 9.128 ( 0.478 -0.347 0.775) 0.974 9.432 ( 0.241 -0.208 -0.289) 0.430 9.463 ( 0.177 0.265 -0.807) 0.868 9.510 ( -0.871 -0.130 -0.024) 0.881 9.538 ( -0.731 -0.308 0.404) 0.890 9.833 ( -0.114 1.723 -0.781) 1.896 9.888 ( 0.254 -0.950 1.033) 1.426 10.079 ( -0.692 -0.167 -0.560) 0.905 10.109 ( -0.803 -0.882 0.505) 1.295 10.165 ( 0.426 0.844 -0.261) 0.981 10.193 ( 1.136 0.166 0.400) 1.216 11.736 ( -1.919 3.301 -2.387) 4.503 11.852 ( 0.277 -4.055 1.305) 4.269 15.340 ( -0.895 0.695 0.340) 1.183 15.411 ( -0.320 -1.119 1.434) 1.847 15.540 ( -2.744 1.386 -0.780) 3.171 15.615 ( -3.320 -0.824 1.445) 3.714 16.341 ( 3.144 0.832 -1.945) 3.790 16.438 ( 2.445 -0.978 0.077) 2.635 ======================= Grid point 98 (40/115) ======================= q-point: (-0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -1.316 1.281 0.338) 1.867 1.119 ( 0.393 -0.391 -0.822) 0.991 1.146 ( 2.182 0.214 0.420) 2.232 1.219 ( -0.660 0.542 2.118) 2.284 1.274 ( -1.440 2.285 2.127) 3.438 1.336 ( 1.092 3.652 2.323) 4.464 1.389 ( -0.885 2.272 -3.033) 3.892 1.478 ( 0.933 3.916 -1.598) 4.331 1.589 ( -1.096 -0.923 -0.085) 1.436 1.707 ( -0.457 -1.906 -0.471) 2.016 1.741 ( 0.202 -0.606 -0.385) 0.746 1.773 ( -0.054 -0.527 -0.157) 0.553 1.821 ( -0.393 -4.500 -0.935) 4.613 1.959 ( 3.446 1.206 -0.904) 3.761 2.109 ( -0.192 -4.329 0.462) 4.357 2.169 ( -0.400 0.547 0.537) 0.864 2.332 ( 2.543 2.602 -0.519) 3.676 2.358 ( 1.145 3.900 -1.193) 4.236 2.411 ( 1.296 2.098 0.411) 2.500 2.468 ( -0.175 2.415 -0.537) 2.480 2.523 ( -0.850 4.413 -0.457) 4.517 2.570 ( 1.557 2.303 -1.680) 3.248 2.670 ( 3.185 -2.258 -3.577) 5.295 2.806 ( -0.727 -0.183 0.603) 0.962 2.864 ( 0.988 1.009 -0.985) 1.722 2.993 ( 0.894 2.620 4.701) 5.456 3.145 ( -9.023 -0.551 -1.403) 9.148 3.293 ( -4.507 -1.403 0.430) 4.740 3.509 ( -1.727 8.223 0.615) 8.425 3.591 ( 1.704 4.214 0.318) 4.557 3.652 ( -0.341 3.222 0.982) 3.386 3.691 ( 0.086 1.364 -0.745) 1.557 3.736 ( -1.403 0.886 0.603) 1.765 3.761 ( 0.010 1.230 -0.107) 1.234 3.861 ( -0.780 0.893 0.896) 1.486 4.157 ( -0.947 3.058 -1.088) 3.381 4.255 ( 4.367 0.688 -1.280) 4.603 4.299 ( 2.398 2.448 0.292) 3.439 4.432 ( -2.424 2.576 -0.815) 3.630 4.474 ( 0.199 -3.542 0.486) 3.581 4.582 ( -1.209 0.489 1.349) 1.876 4.850 ( 0.785 -6.063 -0.262) 6.119 5.565 ( -0.404 3.007 -0.105) 3.036 5.896 ( 0.657 -1.802 -2.046) 2.804 5.947 ( 1.395 3.229 -2.537) 4.336 6.168 ( -0.359 3.082 1.119) 3.298 6.396 ( -5.593 9.492 4.539) 11.916 6.436 ( 0.186 3.609 -0.629) 3.668 7.737 ( -0.026 1.698 -0.429) 1.752 7.901 ( -1.469 0.387 1.417) 2.077 7.908 ( -1.580 2.094 1.574) 3.060 8.014 ( 0.814 2.088 0.985) 2.448 8.398 ( -1.381 1.085 -0.340) 1.789 8.427 ( -0.421 2.448 -0.847) 2.625 8.675 ( -1.547 5.461 0.888) 5.745 8.934 ( 0.693 -0.909 -2.599) 2.839 8.993 ( 0.658 -2.448 -0.745) 2.642 9.062 ( -0.604 1.337 1.197) 1.893 9.092 ( -0.213 -2.441 -0.536) 2.509 9.153 ( 0.814 -0.888 -0.006) 1.204 9.472 ( 1.623 -3.435 -0.254) 3.807 9.491 ( 1.416 -2.899 -0.357) 3.246 9.534 ( 0.111 -3.197 -0.024) 3.199 9.567 ( 0.551 -2.938 0.236) 2.998 9.809 ( 0.123 1.038 0.353) 1.104 9.912 ( 0.248 -1.417 0.123) 1.443 10.077 ( -0.387 -0.306 -0.233) 0.545 10.117 ( -0.357 -0.564 0.290) 0.727 10.150 ( -0.340 0.941 0.025) 1.001 10.195 ( 0.788 0.855 0.007) 1.163 11.717 ( 0.725 -1.868 0.488) 2.063 11.986 ( 2.555 -9.963 -1.371) 10.376 15.357 ( 0.332 -2.811 0.963) 2.990 15.451 ( 0.403 -2.872 1.312) 3.183 15.505 ( -2.456 -0.488 0.228) 2.515 15.612 ( -3.297 -2.328 0.404) 4.056 16.332 ( 2.660 2.911 -1.694) 4.291 16.447 ( 1.738 2.428 -0.584) 3.043 ======================= Grid point 99 (41/115) ======================= q-point: (-0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -1.038 8.361 5.189) 9.895 1.093 ( -2.543 10.688 3.167) 11.434 1.143 ( -0.475 -2.104 0.978) 2.368 1.173 ( 0.229 -0.835 0.080) 0.870 1.241 ( 1.812 -0.245 0.432) 1.879 1.318 ( 0.364 -0.264 1.558) 1.622 1.393 ( 1.402 -0.871 -1.705) 2.373 1.442 ( 1.033 0.868 -1.883) 2.316 1.610 ( -0.198 -0.581 0.713) 0.941 1.716 ( -0.403 0.455 -0.927) 1.109 1.763 ( 0.276 -2.098 -0.120) 2.119 1.780 ( -0.237 -0.929 0.246) 0.990 1.877 ( -0.268 -2.785 -0.334) 2.818 1.985 ( 2.855 -0.920 -0.538) 3.048 2.109 ( -1.833 2.672 -1.298) 3.490 2.171 ( -1.338 -1.913 -4.454) 5.029 2.269 ( -0.650 10.542 2.446) 10.841 2.305 ( 1.523 4.474 1.204) 4.877 2.334 ( -0.522 7.394 2.121) 7.710 2.398 ( 0.537 3.575 2.133) 4.198 2.444 ( -1.425 2.759 0.895) 3.232 2.561 ( 1.754 0.640 -0.963) 2.101 2.720 ( 1.250 -1.063 -2.704) 3.163 2.772 ( -1.382 3.545 -0.030) 3.805 2.855 ( 1.861 -0.339 -1.729) 2.563 2.939 ( -1.225 4.485 2.649) 5.351 3.098 ( -3.162 -1.030 1.496) 3.646 3.260 ( -2.199 1.074 -1.227) 2.737 3.359 ( -2.072 6.900 2.636) 7.671 3.536 ( 0.343 4.370 -0.717) 4.441 3.557 ( -1.504 6.297 1.144) 6.575 3.668 ( 0.214 1.451 -1.210) 1.901 3.719 ( -0.475 0.388 0.313) 0.689 3.739 ( 0.223 1.246 -0.207) 1.282 3.855 ( -0.599 -0.284 -0.467) 0.811 4.015 ( -2.573 6.780 -5.861) 9.324 4.264 ( 0.499 1.296 0.136) 1.396 4.295 ( 2.779 1.257 -0.295) 3.064 4.365 ( -1.037 2.786 0.132) 2.975 4.496 ( -1.512 2.041 -0.469) 2.583 4.644 ( 1.522 -6.179 4.568) 7.834 4.944 ( 0.503 -4.629 -1.826) 5.002 5.530 ( 0.626 2.079 3.838) 4.410 5.833 ( 0.873 5.970 -0.755) 6.080 5.926 ( -1.526 1.695 -2.921) 3.706 6.122 ( -0.774 2.355 -2.260) 3.355 6.166 ( -4.713 12.113 3.472) 13.453 6.338 ( -0.169 5.779 -3.503) 6.760 7.710 ( 0.293 1.810 0.802) 2.001 7.821 ( -1.214 4.879 2.569) 5.646 7.913 ( -1.884 -1.153 -1.032) 2.438 7.980 ( 0.165 2.043 -0.837) 2.214 8.344 ( -0.719 4.303 0.131) 4.365 8.369 ( -0.363 3.421 -0.484) 3.474 8.595 ( -0.273 3.486 3.730) 5.113 8.939 ( 0.930 -0.072 -0.747) 1.195 9.031 ( -0.618 0.601 0.212) 0.888 9.048 ( 0.740 -1.885 -2.095) 2.914 9.122 ( -0.440 -1.767 -1.297) 2.235 9.158 ( -0.229 0.310 -0.814) 0.901 9.560 ( 0.952 -5.311 0.302) 5.404 9.578 ( 1.958 -5.203 -0.134) 5.561 9.607 ( 0.181 -4.904 0.162) 4.910 9.637 ( 0.788 -4.387 -0.118) 4.459 9.803 ( 0.207 0.260 1.654) 1.687 9.939 ( 0.061 -1.671 -0.606) 1.778 10.078 ( -0.119 -0.021 0.234) 0.264 10.117 ( 0.520 1.151 0.387) 1.321 10.132 ( -1.245 -0.132 -0.179) 1.264 10.181 ( 0.341 1.350 -0.450) 1.463 11.799 ( 1.458 -5.315 3.445) 6.500 12.195 ( 2.330 -12.596 -3.772) 13.354 15.439 ( 1.149 -5.310 1.792) 5.721 15.497 ( -1.252 -2.420 0.641) 2.799 15.531 ( -0.143 -3.988 1.540) 4.278 15.633 ( -2.224 -3.480 -0.669) 4.184 16.284 ( 2.220 4.942 -1.427) 5.603 16.388 ( 0.350 5.241 -1.309) 5.414 ======================= Grid point 100 (42/115) ======================= q-point: (-0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 3.023 15.328 8.869) 17.966 0.872 ( 0.655 14.690 12.118) 19.055 1.174 ( 0.602 0.208 -1.725) 1.839 1.228 ( -0.829 -4.830 0.962) 4.994 1.284 ( 0.399 -0.993 -0.073) 1.073 1.297 ( -0.607 2.050 -0.396) 2.174 1.422 ( 0.973 -1.304 -1.790) 2.419 1.447 ( -1.049 -1.776 -1.934) 2.827 1.556 ( 1.523 11.063 4.622) 12.086 1.701 ( 0.719 0.738 0.294) 1.071 1.779 ( 1.433 3.480 2.838) 4.713 1.802 ( 0.400 -2.367 -0.014) 2.401 1.904 ( -0.450 -0.806 0.274) 0.963 1.982 ( -2.355 5.677 2.752) 6.734 2.039 ( -1.199 2.192 -2.338) 3.422 2.065 ( -1.095 0.628 2.748) 3.024 2.148 ( 0.601 2.507 -4.229) 4.953 2.260 ( 0.719 2.023 2.129) 3.024 2.289 ( 1.582 3.011 3.204) 4.672 2.353 ( -0.257 2.636 1.373) 2.983 2.382 ( -1.256 3.629 0.873) 3.938 2.564 ( 1.348 0.822 -0.698) 1.726 2.668 ( -0.947 5.202 -1.091) 5.399 2.707 ( 0.373 3.351 -2.850) 4.415 2.870 ( -2.001 0.701 1.390) 2.535 2.919 ( 3.826 -1.887 -0.297) 4.277 3.067 ( -3.011 2.569 2.081) 4.472 3.209 ( 0.699 2.933 -2.928) 4.203 3.293 ( 0.203 2.718 2.480) 3.685 3.421 ( -0.264 5.387 1.210) 5.528 3.454 ( 0.388 7.597 -2.656) 8.057 3.660 ( 1.075 -1.242 -1.585) 2.282 3.715 ( -0.683 0.019 0.543) 0.873 3.729 ( 1.571 0.278 -1.259) 2.032 3.841 ( -1.576 0.305 -2.282) 2.790 3.905 ( -1.401 2.236 -4.975) 5.631 4.228 ( -1.560 1.827 0.345) 2.428 4.288 ( 1.297 2.328 1.556) 3.086 4.342 ( 2.060 0.548 -0.526) 2.195 4.429 ( -1.291 3.426 -1.233) 3.864 4.769 ( 0.191 -5.437 4.241) 6.898 4.997 ( -0.048 -2.535 -2.133) 3.313 5.533 ( 0.313 0.367 6.803) 6.820 5.754 ( 1.867 4.655 0.715) 5.066 5.853 ( -0.486 3.751 -2.327) 4.440 5.935 ( -2.405 11.050 2.321) 11.545 6.030 ( 1.051 9.007 -1.757) 9.237 6.280 ( -0.922 -2.058 -10.501) 10.741 7.692 ( 1.026 1.509 2.018) 2.720 7.745 ( -0.948 4.025 2.782) 4.984 7.900 ( -1.349 -0.393 -3.468) 3.742 7.951 ( 0.374 1.299 -1.872) 2.309 8.266 ( 0.150 4.291 0.388) 4.311 8.303 ( -0.036 3.715 -0.666) 3.774 8.583 ( 0.308 0.550 6.519) 6.549 8.951 ( 1.289 0.012 1.130) 1.714 9.003 ( -1.037 1.600 2.474) 3.123 9.082 ( 1.109 -2.131 -5.367) 5.880 9.129 ( -1.208 -0.598 -3.441) 3.696 9.144 ( 0.034 0.362 -0.721) 0.808 9.656 ( 0.096 -5.188 0.402) 5.204 9.677 ( 0.202 -4.899 0.187) 4.907 9.689 ( 0.021 -4.578 0.250) 4.585 9.714 ( -0.174 -4.363 -0.323) 4.378 9.813 ( 0.132 -0.249 2.768) 2.782 9.962 ( -0.260 -1.578 -1.120) 1.952 10.076 ( 0.202 0.570 0.618) 0.864 10.095 ( -0.042 1.623 0.625) 1.740 10.128 ( -0.004 0.011 -0.629) 0.629 10.155 ( -0.105 1.634 -0.906) 1.871 11.920 ( 0.303 -5.654 6.135) 8.348 12.392 ( -0.080 -11.061 -5.837) 12.507 15.524 ( -1.287 -3.366 1.654) 3.965 15.561 ( 2.106 -4.501 1.838) 5.299 15.603 ( -1.906 -4.702 1.449) 5.276 15.679 ( -0.070 -3.633 -1.135) 3.807 16.207 ( 2.049 6.067 -1.444) 6.565 16.284 ( -0.880 5.690 -2.085) 6.124 ======================= Grid point 103 (43/115) ======================= q-point: ( 0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 12.755 0.000 7.987) 15.049 1.047 ( 7.695 0.000 11.055) 13.469 1.159 ( 3.631 0.000 0.249) 3.639 1.235 ( -0.814 -0.000 -0.648) 1.041 1.242 ( -3.396 -0.000 0.168) 3.400 1.328 ( 1.449 0.000 0.377) 1.497 1.346 ( -2.606 -0.000 -3.458) 4.330 1.417 ( -2.552 -0.000 -4.551) 5.218 1.645 ( 2.128 0.000 4.486) 4.965 1.693 ( -0.682 -0.000 -0.901) 1.130 1.786 ( -0.859 -0.000 1.002) 1.320 1.804 ( -1.263 -0.000 0.098) 1.266 1.897 ( -0.946 -0.000 -0.013) 0.946 2.009 ( -4.391 -0.000 1.248) 4.565 2.029 ( 2.876 0.000 -3.902) 4.847 2.084 ( 2.139 0.000 -3.079) 3.749 2.224 ( 8.444 0.000 6.743) 10.805 2.257 ( 0.568 0.000 0.691) 0.894 2.337 ( 2.540 0.000 4.630) 5.281 2.343 ( 2.001 0.000 -1.312) 2.393 2.450 ( 4.230 0.000 2.328) 4.829 2.520 ( 0.146 0.000 -1.887) 1.892 2.633 ( 1.567 0.000 -4.416) 4.686 2.687 ( 5.607 0.000 -0.324) 5.616 2.861 ( -3.885 -0.000 0.059) 3.885 2.921 ( 2.697 0.000 3.215) 4.196 3.132 ( 2.686 0.000 -4.907) 5.595 3.170 ( 2.386 0.000 4.879) 5.431 3.370 ( 6.968 0.000 3.611) 7.849 3.388 ( 8.782 0.000 -5.458) 10.340 3.499 ( 4.936 0.000 3.596) 6.107 3.627 ( -0.674 -0.000 -3.116) 3.188 3.697 ( -0.395 -0.000 -0.768) 0.864 3.739 ( 0.207 0.000 0.907) 0.930 3.850 ( 3.948 0.000 -6.106) 7.272 3.854 ( 1.718 0.000 -1.286) 2.146 4.231 ( -2.200 -0.000 -1.681) 2.769 4.281 ( -0.144 -0.000 1.810) 1.815 4.338 ( 3.682 0.000 0.792) 3.766 4.485 ( 5.495 0.000 -0.693) 5.538 4.807 ( -5.081 -0.000 5.487) 7.479 4.943 ( -3.060 -0.000 -3.582) 4.711 5.603 ( -1.584 -0.000 8.631) 8.776 5.757 ( 2.133 0.000 1.058) 2.381 5.833 ( -1.369 -0.000 -8.599) 8.707 5.883 ( 3.439 0.000 -1.287) 3.672 6.084 ( 15.343 0.000 4.075) 15.875 6.260 ( 10.762 0.000 -7.688) 13.226 7.681 ( -0.786 -0.000 2.721) 2.832 7.839 ( 4.820 0.000 4.254) 6.428 7.886 ( 2.885 0.000 -4.042) 4.966 7.888 ( 0.639 0.000 -3.498) 3.555 8.280 ( 3.818 0.000 0.462) 3.846 8.304 ( 3.796 0.000 -0.690) 3.858 8.691 ( -0.251 -0.000 9.154) 9.157 8.906 ( -3.234 -0.000 -4.863) 5.840 8.996 ( -0.649 -0.000 -1.100) 1.277 9.092 ( 2.438 0.000 3.327) 4.125 9.111 ( 0.871 0.000 -4.234) 4.323 9.146 ( 1.240 0.000 -1.519) 1.961 9.631 ( -5.985 -0.000 0.388) 5.998 9.640 ( -6.301 -0.000 -0.073) 6.301 9.689 ( -3.773 -0.000 0.044) 3.773 9.707 ( -2.863 -0.000 -0.154) 2.868 9.861 ( -1.062 -0.000 3.179) 3.352 9.948 ( -0.815 -0.000 -1.820) 1.994 10.096 ( 0.464 0.000 0.945) 1.053 10.096 ( 1.046 0.000 0.700) 1.259 10.135 ( 1.069 0.000 -0.610) 1.231 10.138 ( 1.039 0.000 -1.187) 1.577 11.993 ( -7.360 -0.000 8.687) 11.386 12.254 ( -9.715 -0.000 -8.148) 12.680 15.532 ( -6.439 -0.000 -0.966) 6.511 15.565 ( -3.191 -0.000 1.397) 3.484 15.580 ( -3.759 -0.000 0.428) 3.783 15.681 ( -2.062 -0.000 -1.611) 2.616 16.202 ( 4.496 0.000 0.062) 4.497 16.298 ( 7.460 0.000 0.848) 7.508 ======================= Grid point 104 (44/115) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 1.908 -1.524 2.594) 3.562 1.137 ( 0.837 -0.008 0.875) 1.211 1.168 ( -0.019 0.318 3.183) 3.199 1.220 ( -0.602 -0.246 1.458) 1.596 1.260 ( 6.604 -1.068 4.062) 7.827 1.344 ( -1.601 -2.004 -1.084) 2.785 1.365 ( 3.757 -1.519 0.313) 4.064 1.396 ( 0.313 -2.096 -4.225) 4.727 1.652 ( -0.367 0.886 2.447) 2.628 1.690 ( -1.317 -0.841 -1.609) 2.242 1.768 ( -2.263 0.703 -0.042) 2.371 1.778 ( -1.018 1.285 -0.544) 1.727 1.900 ( -2.808 -1.081 2.726) 4.060 1.981 ( -2.582 -2.075 0.292) 3.325 2.045 ( -0.717 2.347 -5.113) 5.672 2.075 ( 3.953 -0.373 -2.781) 4.847 2.298 ( 1.455 -2.867 0.753) 3.302 2.332 ( 2.796 -2.912 1.262) 4.230 2.356 ( 1.597 -2.300 0.956) 2.959 2.420 ( 3.778 -2.192 1.453) 4.604 2.484 ( 3.185 -0.088 3.252) 4.553 2.541 ( 1.049 -1.940 -0.867) 2.369 2.654 ( 0.063 -2.892 -1.644) 3.327 2.735 ( 4.250 0.079 -1.030) 4.374 2.848 ( -2.723 -2.496 0.347) 3.710 2.943 ( 4.671 2.971 0.139) 5.537 3.134 ( -0.336 0.183 1.461) 1.511 3.205 ( 3.345 0.521 0.400) 3.409 3.418 ( 5.057 -0.289 3.718) 6.283 3.503 ( 6.830 -2.764 -1.438) 7.507 3.594 ( 6.480 -2.521 2.176) 7.285 3.635 ( 2.298 -1.748 -2.843) 4.052 3.707 ( -0.206 -1.997 -0.774) 2.152 3.739 ( 1.216 0.394 0.210) 1.295 3.858 ( 1.800 0.860 0.007) 1.995 3.880 ( 5.356 -0.584 -6.059) 8.108 4.233 ( -2.199 -3.464 -1.460) 4.354 4.282 ( 1.228 0.399 0.370) 1.343 4.391 ( 2.189 -1.712 1.751) 3.285 4.515 ( 4.206 1.991 -0.740) 4.712 4.762 ( -5.129 1.525 5.985) 8.028 4.881 ( -3.702 2.090 -4.174) 5.958 5.623 ( -1.348 -0.898 8.062) 8.223 5.768 ( -2.687 -0.028 -8.159) 8.590 5.854 ( 2.094 -6.445 1.144) 6.873 5.960 ( 3.760 -5.050 -1.864) 6.566 6.244 ( 15.271 0.499 3.636) 15.706 6.348 ( 12.239 0.356 -4.996) 13.224 7.702 ( -0.886 -2.337 2.556) 3.575 7.851 ( 1.030 1.754 -3.365) 3.932 7.908 ( 4.992 -0.391 3.240) 5.964 7.934 ( 2.954 -1.954 -2.457) 4.311 8.333 ( 3.561 -1.525 0.353) 3.890 8.349 ( 3.541 -1.202 -0.463) 3.768 8.722 ( 0.623 -0.172 7.968) 7.994 8.856 ( -2.648 0.046 -6.420) 6.944 8.996 ( -0.435 -0.546 1.132) 1.330 9.092 ( 0.576 1.268 -3.093) 3.392 9.125 ( 1.545 0.017 1.993) 2.521 9.151 ( 0.641 0.033 -1.591) 1.715 9.554 ( -6.069 1.969 0.307) 6.387 9.574 ( -6.115 0.778 0.023) 6.164 9.634 ( -3.482 2.237 0.039) 4.139 9.657 ( -2.757 2.324 -0.269) 3.616 9.862 ( -1.079 -0.218 2.704) 2.920 9.927 ( -0.611 0.924 -1.740) 2.063 10.087 ( -0.050 0.550 0.723) 0.910 10.114 ( 0.250 1.286 -0.730) 1.500 10.135 ( 0.916 -1.553 0.880) 2.007 10.165 ( 1.204 -0.996 -0.916) 1.811 11.926 ( -7.507 2.341 7.302) 10.731 12.100 ( -8.804 4.201 -7.053) 12.037 15.448 ( -5.170 1.450 -0.152) 5.371 15.515 ( -3.570 2.868 0.629) 4.622 15.574 ( -3.886 -2.790 1.207) 4.934 15.658 ( -2.102 0.141 -1.852) 2.805 16.260 ( 3.846 -1.998 0.001) 4.334 16.355 ( 7.079 1.879 0.340) 7.332 ======================= Grid point 105 (45/115) ======================= q-point: ( 0.44 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -1.122 0.747 0.454) 1.422 1.110 ( -0.484 0.828 -0.292) 1.003 1.189 ( 0.218 1.427 0.940) 1.723 1.207 ( -1.243 -0.243 -0.545) 1.379 1.332 ( 4.121 1.373 3.840) 5.797 1.386 ( 0.777 -2.154 -1.600) 2.793 1.431 ( 3.853 -3.471 0.821) 5.250 1.465 ( 3.110 -3.063 -2.095) 4.842 1.640 ( -0.763 0.459 3.013) 3.142 1.681 ( -2.185 -0.142 -1.678) 2.759 1.742 ( -1.364 -0.072 0.449) 1.437 1.748 ( -0.081 1.221 -1.610) 2.022 1.871 ( -5.866 -0.478 3.490) 6.842 1.926 ( -1.959 6.308 -3.691) 7.566 2.056 ( 0.705 -4.662 1.428) 4.927 2.108 ( 4.133 0.597 -3.105) 5.204 2.347 ( 0.954 -0.749 -0.236) 1.236 2.365 ( 0.128 -1.690 -0.797) 1.873 2.448 ( 2.207 -1.673 0.555) 2.824 2.466 ( 2.129 -2.950 0.023) 3.638 2.561 ( 2.528 -2.962 1.328) 4.114 2.583 ( 1.992 -1.719 -0.614) 2.702 2.714 ( -0.471 -4.104 0.860) 4.219 2.745 ( 2.301 2.010 -1.160) 3.269 2.888 ( -0.122 -0.907 0.695) 1.149 2.908 ( 1.634 1.431 -1.604) 2.700 3.144 ( -2.308 -1.025 3.160) 4.045 3.185 ( -1.647 1.664 -1.264) 2.660 3.547 ( 5.734 -6.657 2.678) 9.185 3.594 ( 6.130 -1.769 -1.268) 6.505 3.668 ( 2.675 -0.944 0.777) 2.942 3.687 ( 0.937 -1.940 -0.409) 2.193 3.746 ( 0.677 -0.935 0.660) 1.330 3.762 ( 1.093 -1.793 -0.274) 2.118 3.884 ( 3.938 -1.121 2.875) 5.003 3.928 ( 6.127 -0.613 -6.329) 8.830 4.282 ( 0.808 -2.294 -0.277) 2.448 4.295 ( 2.633 -0.440 -0.806) 2.789 4.444 ( -0.123 -2.728 1.578) 3.154 4.499 ( 1.894 2.606 -0.648) 3.286 4.709 ( -4.654 1.238 5.351) 7.198 4.775 ( -4.148 4.388 -4.374) 7.456 5.664 ( -1.231 -2.687 6.292) 6.951 5.708 ( -2.093 1.170 -6.177) 6.626 6.024 ( 2.066 -9.909 1.559) 10.241 6.078 ( 5.507 -3.752 -2.960) 7.292 6.367 ( 11.296 1.480 2.345) 11.632 6.441 ( 7.374 -1.319 -1.470) 7.634 7.753 ( -0.994 -3.708 2.207) 4.428 7.821 ( 0.699 1.659 -2.497) 3.078 7.971 ( 3.623 -1.046 0.778) 3.851 7.987 ( 3.332 -1.165 0.364) 3.549 8.384 ( 1.457 -1.254 0.254) 1.939 8.396 ( 1.499 -1.346 -0.438) 2.061 8.766 ( 1.493 -1.281 5.262) 5.618 8.820 ( -0.793 -0.164 -5.231) 5.293 9.008 ( -0.648 -0.801 1.427) 1.761 9.059 ( -0.126 1.696 -2.489) 3.014 9.132 ( 0.345 1.083 1.532) 1.907 9.142 ( -0.339 0.643 -1.273) 1.466 9.471 ( -3.880 1.854 0.319) 4.313 9.504 ( -4.315 1.181 -0.226) 4.479 9.562 ( -2.459 2.614 0.209) 3.595 9.589 ( -2.012 2.745 -0.346) 3.421 9.866 ( -0.745 -0.396 1.863) 2.045 9.897 ( -0.143 1.614 -1.369) 2.121 10.083 ( -0.595 -0.146 0.544) 0.820 10.090 ( -0.364 0.930 -0.557) 1.143 10.173 ( 0.858 -1.384 0.707) 1.775 10.183 ( 1.092 -0.137 -0.700) 1.304 11.841 ( -5.617 2.237 4.793) 7.716 11.921 ( -5.900 5.823 -5.028) 9.695 15.395 ( -3.295 0.254 0.700) 3.378 15.433 ( -2.430 3.442 0.948) 4.319 15.582 ( -3.939 -1.937 1.406) 4.609 15.614 ( -2.233 1.912 -1.660) 3.377 16.339 ( 3.021 -3.415 -0.187) 4.563 16.379 ( 5.516 2.150 -0.857) 5.982 ======================= Grid point 106 (46/115) ======================= q-point: ( 0.56 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 0.210 0.594 -0.466) 0.783 1.111 ( 0.284 -0.763 -0.721) 1.087 1.167 ( 0.689 0.682 -0.375) 1.039 1.201 ( -2.188 -0.637 1.131) 2.544 1.340 ( 3.107 3.117 1.987) 4.829 1.392 ( 2.004 2.031 1.417) 3.185 1.492 ( 2.138 0.129 -2.810) 3.533 1.558 ( 2.226 -4.823 0.016) 5.312 1.627 ( -1.967 1.367 -0.690) 2.492 1.653 ( -2.339 -1.307 -0.327) 2.699 1.707 ( 0.255 3.660 -2.112) 4.233 1.750 ( -0.045 -0.836 0.472) 0.961 1.801 ( -0.563 4.053 -0.730) 4.157 1.870 ( -4.806 -3.909 3.898) 7.319 2.096 ( 3.685 2.148 -1.214) 4.435 2.144 ( -0.233 -2.918 0.554) 2.979 2.360 ( 1.058 -0.228 -0.839) 1.370 2.380 ( -0.691 -1.103 -0.051) 1.303 2.484 ( 3.796 0.273 -0.446) 3.832 2.522 ( 1.801 -0.449 -0.334) 1.886 2.605 ( 3.888 1.026 -1.225) 4.204 2.628 ( 2.869 0.122 -1.139) 3.089 2.709 ( 2.343 3.087 -1.528) 4.166 2.769 ( -1.472 -2.017 0.888) 2.651 2.859 ( 1.975 1.133 -0.397) 2.311 2.959 ( -4.661 -5.443 2.380) 7.551 3.102 ( -1.815 2.325 -1.183) 3.178 3.177 ( -5.893 -3.924 1.414) 7.220 3.655 ( 4.506 0.195 -0.673) 4.560 3.675 ( 2.274 -0.993 0.652) 2.565 3.706 ( 1.576 -1.243 -0.339) 2.036 3.719 ( 0.615 -0.868 -0.454) 1.156 3.748 ( 1.282 1.342 -0.477) 1.917 3.790 ( -0.811 -1.240 0.502) 1.564 3.944 ( 2.826 2.697 -2.956) 4.899 4.006 ( 3.798 -6.773 5.526) 9.531 4.296 ( 4.657 2.132 -0.268) 5.128 4.341 ( 1.592 -1.010 0.240) 1.901 4.474 ( 0.014 -0.310 -0.318) 0.444 4.488 ( -0.718 -0.602 -1.362) 1.653 4.642 ( -3.261 4.864 -2.980) 6.570 4.683 ( -3.813 -1.984 3.231) 5.377 5.654 ( -0.211 2.042 -2.766) 3.445 5.730 ( -1.239 -4.525 3.418) 5.804 6.129 ( 6.957 2.910 -4.470) 8.766 6.199 ( 1.682 -6.048 2.214) 6.656 6.425 ( 4.996 1.045 0.513) 5.130 6.505 ( -0.654 -1.685 1.925) 2.640 7.790 ( 0.585 1.233 -1.172) 1.799 7.814 ( -1.350 -3.128 1.340) 3.661 8.003 ( 1.667 0.683 -0.155) 1.809 8.035 ( 2.061 -0.756 1.547) 2.686 8.399 ( -0.611 -0.258 -0.703) 0.966 8.417 ( -0.683 -1.362 0.039) 1.524 8.795 ( 0.318 1.002 -1.970) 2.233 8.833 ( 0.964 -2.762 1.553) 3.312 9.008 ( -0.523 1.028 -0.706) 1.352 9.032 ( -0.342 -0.341 0.108) 0.495 9.109 ( -0.298 1.640 -0.302) 1.694 9.127 ( -0.406 0.127 0.360) 0.557 9.433 ( -0.524 0.252 0.198) 0.614 9.465 ( -0.831 0.255 -0.587) 1.049 9.511 ( -1.413 1.344 0.117) 1.953 9.534 ( -1.477 1.487 -0.026) 2.096 9.861 ( 0.214 1.680 -0.698) 1.832 9.878 ( -0.375 -0.530 0.884) 1.097 10.073 ( -0.331 0.359 -0.334) 0.592 10.086 ( -0.867 -0.780 0.335) 1.213 10.185 ( 0.898 0.705 -0.380) 1.203 10.200 ( 0.611 -0.686 0.416) 1.008 11.774 ( -2.006 4.194 -2.249) 5.165 11.804 ( -2.866 -0.686 1.608) 3.358 15.362 ( -1.143 2.192 1.454) 2.868 15.390 ( -1.291 -0.753 1.172) 1.900 15.547 ( -1.983 2.583 -1.039) 3.418 15.573 ( -3.655 -0.698 1.323) 3.949 16.386 ( 3.706 1.357 -1.556) 4.242 16.422 ( 2.090 -3.148 -0.762) 3.855 ======================= Grid point 107 (47/115) ======================= q-point: (-0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 0.869 0.679 0.225) 1.125 1.118 ( 0.557 0.128 -1.054) 1.199 1.160 ( -0.814 0.476 -0.137) 0.953 1.207 ( -1.015 -1.387 0.618) 1.826 1.307 ( -0.068 3.069 2.376) 3.881 1.389 ( -0.071 0.445 1.496) 1.562 1.463 ( 3.868 5.428 -0.343) 6.674 1.560 ( 0.953 2.901 -0.658) 3.124 1.581 ( -2.048 3.541 -0.220) 4.097 1.665 ( 0.394 -2.510 -0.715) 2.640 1.716 ( 0.283 -3.356 -1.157) 3.561 1.760 ( -0.158 -1.087 -0.245) 1.126 1.771 ( 0.494 -0.045 -0.164) 0.522 1.931 ( -2.942 -6.059 1.337) 6.867 2.087 ( 2.662 1.784 -1.849) 3.700 2.168 ( -1.309 -0.333 0.834) 1.588 2.371 ( 1.814 0.247 -0.536) 1.907 2.398 ( 0.490 -0.587 1.027) 1.281 2.489 ( 2.751 3.161 -0.564) 4.228 2.514 ( 1.011 2.769 -0.548) 2.999 2.597 ( 3.419 3.603 -0.764) 5.026 2.617 ( 2.033 2.441 -1.585) 3.550 2.690 ( 3.136 1.573 -1.270) 3.731 2.784 ( -1.144 -1.617 0.177) 1.989 2.873 ( 0.398 -0.508 -0.360) 0.739 3.005 ( -6.025 -4.763 0.979) 7.742 3.054 ( -0.013 1.533 0.460) 1.601 3.194 ( -5.034 -3.972 1.006) 6.491 3.647 ( 2.436 6.166 -0.522) 6.650 3.672 ( 0.379 2.813 0.651) 2.913 3.695 ( 0.998 1.977 0.269) 2.231 3.722 ( 1.172 1.180 -0.467) 1.727 3.733 ( -0.989 1.017 -0.409) 1.476 3.786 ( -0.199 1.159 0.240) 1.200 3.887 ( -0.657 3.504 1.215) 3.766 4.140 ( -1.666 -3.960 -0.446) 4.319 4.314 ( 3.618 0.780 0.547) 3.742 4.360 ( 2.307 1.131 -0.292) 2.586 4.443 ( -1.162 2.540 -1.205) 3.042 4.461 ( 0.822 1.531 0.066) 1.739 4.576 ( -1.406 0.272 0.655) 1.575 4.738 ( -1.617 -6.616 -0.114) 6.812 5.619 ( 1.666 2.651 0.887) 3.254 5.809 ( -1.044 -5.580 -0.350) 5.687 6.084 ( 5.282 7.511 -3.261) 9.744 6.230 ( -0.403 3.394 0.205) 3.424 6.455 ( 0.608 -0.645 -0.021) 0.887 6.473 ( -4.596 3.491 3.333) 6.665 7.768 ( 0.771 1.628 -0.217) 1.814 7.850 ( -1.707 -2.447 0.415) 3.012 7.975 ( -0.056 3.646 1.401) 3.906 8.045 ( -0.553 0.945 0.022) 1.095 8.394 ( -0.266 -0.115 0.092) 0.304 8.434 ( -0.335 -0.921 -0.638) 1.169 8.752 ( 0.282 4.077 0.424) 4.108 8.893 ( 0.219 -3.426 -1.361) 3.693 8.985 ( 0.375 0.799 0.055) 0.884 9.051 ( -0.370 -1.863 -0.293) 1.922 9.082 ( -0.143 1.234 0.378) 1.299 9.136 ( -0.008 -1.298 -0.433) 1.368 9.446 ( 1.046 -1.186 -0.108) 1.585 9.473 ( 1.096 -1.070 -0.093) 1.535 9.493 ( -0.834 -0.733 -0.379) 1.173 9.525 ( -0.868 -1.848 0.264) 2.059 9.835 ( 0.510 1.592 0.185) 1.682 9.891 ( -0.407 -1.146 0.052) 1.217 10.070 ( 0.002 -0.206 -0.040) 0.210 10.095 ( -0.760 -1.048 0.066) 1.296 10.175 ( 0.582 1.343 0.133) 1.470 10.208 ( 0.188 0.169 -0.043) 0.257 11.715 ( 0.582 1.077 0.034) 1.225 11.852 ( -0.593 -6.511 -0.797) 6.586 15.342 ( 0.082 0.010 2.143) 2.145 15.414 ( -0.298 -2.152 1.269) 2.516 15.494 ( -1.065 1.432 -0.039) 1.785 15.556 ( -2.684 -0.942 0.221) 2.853 16.387 ( 2.227 1.514 -1.284) 2.984 16.468 ( 0.754 -0.849 -1.555) 1.926 ======================= Grid point 108 (48/115) ======================= q-point: (-0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 1.455 1.347 2.232) 2.985 1.123 ( 0.166 -0.396 0.732) 0.849 1.157 ( -0.651 -0.820 -0.562) 1.188 1.201 ( -0.647 1.663 -0.329) 1.815 1.260 ( -2.379 1.806 2.420) 3.844 1.357 ( -0.322 3.547 2.048) 4.108 1.427 ( 3.415 3.286 0.835) 4.813 1.491 ( 1.322 3.999 -1.718) 4.549 1.582 ( 0.581 -2.176 0.949) 2.445 1.702 ( -0.319 -1.667 0.137) 1.703 1.739 ( 0.474 -0.812 -0.439) 1.038 1.765 ( -0.231 -0.286 -0.505) 0.625 1.827 ( 1.510 -3.850 0.581) 4.176 1.997 ( -0.700 -3.017 -0.617) 3.158 2.078 ( -0.919 -1.034 -3.491) 3.755 2.133 ( -2.289 2.264 -1.764) 3.671 2.366 ( 1.124 2.829 0.488) 3.083 2.403 ( 1.736 2.090 1.423) 3.067 2.438 ( 0.925 4.173 -0.363) 4.290 2.464 ( -0.458 3.114 0.159) 3.152 2.535 ( 1.165 6.736 1.893) 7.093 2.597 ( 1.797 1.634 -0.559) 2.493 2.713 ( 2.253 -0.529 -1.002) 2.522 2.785 ( -1.598 0.023 -1.002) 1.886 2.875 ( 1.262 0.614 -0.581) 1.519 2.957 ( -6.305 0.858 -2.267) 6.755 3.095 ( 4.329 -0.355 4.383) 6.170 3.223 ( -0.962 -3.053 0.261) 3.211 3.508 ( 0.871 10.773 1.702) 10.942 3.603 ( -0.620 4.593 -0.173) 4.638 3.654 ( -0.846 5.089 0.673) 5.202 3.691 ( 0.782 1.319 -0.263) 1.556 3.724 ( 0.226 0.405 0.355) 0.584 3.765 ( 0.098 1.256 0.265) 1.288 3.851 ( -0.730 0.855 0.443) 1.208 4.076 ( -3.379 4.929 -7.181) 9.343 4.301 ( -0.634 2.601 -0.127) 2.680 4.338 ( 0.034 2.239 -0.991) 2.448 4.410 ( 2.043 1.742 1.327) 2.995 4.492 ( 0.527 -1.020 0.240) 1.172 4.593 ( 0.894 -2.716 4.546) 5.370 4.839 ( -0.997 -6.865 -2.173) 7.269 5.601 ( 2.567 3.033 4.152) 5.747 5.880 ( -0.284 -3.898 -3.492) 5.241 5.981 ( 2.774 7.955 -1.053) 8.490 6.134 ( -2.860 4.109 -3.096) 5.887 6.323 ( -3.949 9.563 3.320) 10.866 6.438 ( 0.971 4.668 -0.562) 4.801 7.751 ( 1.210 1.761 1.081) 2.395 7.867 ( -1.651 -1.575 -1.186) 2.572 7.904 ( -0.576 4.854 2.329) 5.414 8.006 ( -1.374 1.846 -0.754) 2.421 8.391 ( 0.547 1.391 0.499) 1.576 8.421 ( 0.363 2.346 -0.687) 2.471 8.682 ( 0.862 5.118 2.915) 5.953 8.932 ( 0.836 -1.824 -3.289) 3.852 8.998 ( 0.443 -1.491 -0.316) 1.588 9.060 ( -0.588 1.010 1.497) 1.899 9.082 ( -0.173 -1.862 -1.120) 2.180 9.151 ( -0.526 -0.644 -1.085) 1.367 9.491 ( 0.429 -3.477 0.039) 3.504 9.513 ( 0.337 -3.392 -0.434) 3.436 9.532 ( -0.006 -3.953 0.588) 3.996 9.569 ( -0.378 -3.770 -0.249) 3.797 9.822 ( 0.512 0.918 1.410) 1.759 9.907 ( -0.579 -1.546 -0.767) 1.820 10.078 ( 0.474 -0.319 0.364) 0.678 10.106 ( -0.503 -1.018 -0.347) 1.187 10.155 ( 0.345 1.687 0.631) 1.834 10.198 ( -0.320 0.860 -0.503) 1.046 11.748 ( 1.104 -3.079 2.794) 4.302 11.990 ( -0.617 -11.040 -3.367) 11.558 15.380 ( 0.229 -3.209 2.739) 4.225 15.454 ( -0.776 -2.779 1.018) 3.060 15.487 ( 0.460 -0.744 0.953) 1.294 15.566 ( -0.477 -2.558 -1.087) 2.820 16.365 ( 1.281 2.942 -0.557) 3.257 16.447 ( -0.854 2.595 -2.292) 3.566 ======================= Grid point 109 (49/115) ======================= q-point: (-0.11 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 3.470 6.592 4.721) 8.819 1.109 ( 1.337 4.092 3.960) 5.849 1.135 ( -1.503 0.610 0.641) 1.745 1.176 ( 0.905 -0.804 1.441) 1.882 1.255 ( 0.071 -2.027 -0.072) 2.029 1.301 ( -3.234 1.031 1.047) 3.552 1.423 ( 2.117 1.062 -0.069) 2.369 1.445 ( 0.717 2.877 -2.209) 3.698 1.621 ( 0.500 -1.135 0.963) 1.571 1.719 ( 0.661 -0.434 -0.113) 0.799 1.763 ( 0.718 -1.585 -0.468) 1.802 1.784 ( -0.023 -2.340 0.265) 2.355 1.910 ( 3.100 -2.285 2.233) 4.451 1.998 ( -2.030 0.980 -1.170) 2.540 2.046 ( -1.768 2.144 -1.399) 3.111 2.102 ( -2.203 -4.016 -6.650) 8.075 2.303 ( 1.034 8.998 3.019) 9.547 2.329 ( 1.386 8.063 1.798) 8.377 2.373 ( 0.520 4.418 1.626) 4.736 2.409 ( 0.285 3.564 1.369) 3.829 2.442 ( 0.701 4.551 1.830) 4.955 2.595 ( 1.890 0.935 0.007) 2.109 2.705 ( -0.663 1.482 -2.259) 2.782 2.751 ( -0.617 2.073 -1.752) 2.784 2.850 ( -3.455 0.451 -0.746) 3.563 2.938 ( 3.130 -0.762 1.241) 3.452 3.116 ( 2.034 3.279 1.950) 4.324 3.277 ( 5.071 0.869 0.599) 5.180 3.371 ( 1.288 6.479 2.835) 7.188 3.521 ( -1.318 5.526 -0.251) 5.686 3.550 ( 0.252 5.299 0.020) 5.305 3.676 ( 1.225 1.382 -0.826) 2.023 3.718 ( -0.573 0.885 0.362) 1.115 3.751 ( 1.416 0.774 -0.535) 1.700 3.832 ( -0.898 0.659 -1.033) 1.519 3.936 ( -0.669 5.280 -7.285) 9.022 4.238 ( -2.656 1.844 -0.685) 3.305 4.312 ( -0.355 0.447 0.072) 0.575 4.407 ( 3.290 2.698 1.910) 4.664 4.469 ( -0.046 2.651 -1.922) 3.275 4.693 ( -0.156 -5.133 5.906) 7.827 4.920 ( -1.284 -5.133 -3.006) 6.085 5.591 ( 1.649 2.865 6.433) 7.233 5.872 ( 3.019 5.156 0.754) 6.022 5.908 ( 1.799 2.818 -2.581) 4.224 6.061 ( -2.893 -1.069 -7.796) 8.384 6.127 ( -0.922 11.708 2.122) 11.935 6.326 ( 1.959 9.210 -1.732) 9.574 7.742 ( 1.967 1.725 2.451) 3.585 7.822 ( -0.587 4.863 2.588) 5.540 7.867 ( -1.178 -0.657 -3.301) 3.566 7.968 ( -0.489 1.201 -0.677) 1.463 8.350 ( 1.129 4.398 0.350) 4.554 8.369 ( 0.779 3.856 -0.690) 3.994 8.636 ( 1.076 2.965 5.468) 6.313 8.960 ( 1.456 -1.400 -2.106) 2.918 9.010 ( -0.670 0.166 -1.779) 1.908 9.053 ( 0.182 -0.450 1.039) 1.147 9.100 ( -0.457 -0.955 -2.503) 2.717 9.144 ( -0.445 0.058 -0.757) 0.880 9.566 ( -0.493 -5.221 0.217) 5.249 9.582 ( -1.698 -5.217 -0.097) 5.487 9.610 ( -0.020 -4.835 0.489) 4.859 9.630 ( -1.191 -4.492 -0.456) 4.670 9.824 ( 0.364 0.195 2.556) 2.589 9.925 ( -0.799 -1.785 -1.339) 2.370 10.088 ( 0.850 0.076 0.706) 1.107 10.112 ( -0.366 0.030 -0.282) 0.464 10.136 ( 0.694 0.986 0.412) 1.275 10.173 ( -0.653 1.306 -0.827) 1.678 11.841 ( -0.401 -5.547 5.342) 7.712 12.159 ( -2.711 -12.389 -5.545) 13.842 15.449 ( -1.543 -4.147 2.148) 4.918 15.504 ( -2.489 -4.395 0.588) 5.085 15.535 ( 3.395 -2.779 2.163) 4.891 15.620 ( 1.274 -3.607 -1.501) 4.109 16.311 ( 0.937 4.691 0.078) 4.784 16.357 ( -1.891 5.220 -2.865) 6.248 ======================= Grid point 113 (50/115) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -1.492 -0.000 0.504) 1.575 1.125 ( 0.074 0.000 0.450) 0.456 1.172 ( -1.531 -0.000 0.608) 1.647 1.255 ( 3.657 0.000 3.741) 5.231 1.276 ( -0.391 -0.000 -1.627) 1.673 1.329 ( -2.327 -0.000 -3.321) 4.055 1.380 ( 8.099 0.000 6.154) 10.172 1.400 ( 4.782 0.000 0.374) 4.797 1.665 ( -1.663 -0.000 3.712) 4.068 1.668 ( -0.732 -0.000 -2.215) 2.333 1.747 ( -2.727 -0.000 0.125) 2.730 1.780 ( -0.949 -0.000 -1.066) 1.427 1.891 ( -0.102 -0.000 0.855) 0.861 1.909 ( -6.243 -0.000 0.526) 6.265 2.065 ( 3.518 0.000 -4.150) 5.441 2.072 ( -0.475 -0.000 -3.430) 3.462 2.287 ( 1.377 0.000 1.159) 1.800 2.312 ( 0.314 0.000 2.742) 2.760 2.362 ( 0.624 0.000 -0.679) 0.922 2.432 ( 2.364 0.000 1.186) 2.644 2.515 ( -0.986 -0.000 1.869) 2.113 2.540 ( 2.761 0.000 3.268) 4.278 2.611 ( -1.014 -0.000 -2.154) 2.381 2.772 ( 3.435 0.000 -1.072) 3.598 2.816 ( -0.074 -0.000 -0.660) 0.664 3.000 ( 2.593 0.000 0.867) 2.734 3.178 ( 4.369 0.000 -2.728) 5.150 3.244 ( 2.683 0.000 4.739) 5.446 3.494 ( 3.994 0.000 -1.289) 4.196 3.523 ( 5.764 0.000 3.514) 6.751 3.637 ( 4.967 0.000 1.789) 5.280 3.637 ( 2.883 0.000 -2.394) 3.747 3.692 ( 1.185 0.000 -1.437) 1.862 3.749 ( 0.454 0.000 0.679) 0.816 3.887 ( 2.753 0.000 0.506) 2.799 3.916 ( 7.782 0.000 -7.528) 10.828 4.167 ( -2.939 -0.000 -1.317) 3.221 4.274 ( -1.227 -0.000 0.796) 1.463 4.422 ( 3.742 0.000 1.557) 4.053 4.568 ( 2.830 0.000 -0.169) 2.835 4.744 ( -5.169 -0.000 5.510) 7.555 4.852 ( -3.357 -0.000 -4.192) 5.371 5.626 ( -2.070 -0.000 7.969) 8.233 5.723 ( -1.403 -0.000 -6.235) 6.391 5.820 ( 1.801 0.000 1.086) 2.103 5.938 ( 2.971 0.000 -1.272) 3.232 6.409 ( 14.710 0.000 2.559) 14.931 6.460 ( 12.782 0.000 -5.772) 14.025 7.681 ( -0.966 -0.000 2.410) 2.596 7.866 ( 0.494 0.000 -3.285) 3.322 7.932 ( 4.243 0.000 -3.511) 5.507 7.969 ( 4.559 0.000 2.927) 5.417 8.358 ( 3.676 0.000 0.172) 3.680 8.375 ( 3.495 0.000 0.077) 3.495 8.754 ( 0.883 0.000 7.464) 7.516 8.815 ( -1.506 -0.000 -5.515) 5.717 8.992 ( -0.502 -0.000 1.757) 1.827 9.097 ( 0.336 0.000 -3.344) 3.361 9.137 ( -0.207 -0.000 0.075) 0.221 9.157 ( 1.256 0.000 -0.130) 1.263 9.514 ( -6.032 -0.000 0.225) 6.036 9.518 ( -5.934 -0.000 0.245) 5.939 9.621 ( -3.123 -0.000 0.109) 3.125 9.649 ( -2.869 -0.000 -0.398) 2.896 9.855 ( -1.470 -0.000 2.397) 2.812 9.923 ( -0.498 -0.000 -1.671) 1.744 10.105 ( -0.131 -0.000 0.742) 0.753 10.117 ( 0.588 0.000 0.531) 0.792 10.147 ( 0.685 0.000 -0.842) 1.085 10.148 ( 0.713 0.000 -0.408) 0.822 11.892 ( -8.117 -0.000 6.559) 10.435 12.032 ( -7.512 -0.000 -6.132) 9.697 15.404 ( -5.464 -0.000 -0.345) 5.475 15.502 ( -3.539 -0.000 1.080) 3.700 15.529 ( -2.527 -0.000 1.409) 2.894 15.632 ( -1.735 -0.000 -1.515) 2.304 16.281 ( 3.699 0.000 -0.491) 3.732 16.439 ( 5.965 0.000 0.066) 5.965 ======================= Grid point 114 (51/115) ======================= q-point: ( 0.44 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -1.216 0.222 0.581) 1.366 1.121 ( -0.902 0.770 0.125) 1.193 1.172 ( -0.318 -0.695 0.158) 0.780 1.246 ( -0.737 2.024 -0.776) 2.289 1.307 ( 0.123 -3.772 -2.576) 4.569 1.342 ( 0.682 -3.072 -2.086) 3.775 1.437 ( 5.010 0.885 4.153) 6.567 1.509 ( 5.990 -2.143 3.009) 7.037 1.646 ( -1.576 0.707 0.994) 1.993 1.658 ( -1.322 -0.085 2.364) 2.710 1.721 ( -1.992 0.218 -0.654) 2.108 1.764 ( 0.007 0.670 -1.301) 1.463 1.827 ( -5.387 1.058 1.415) 5.670 1.959 ( -1.004 -5.680 0.590) 5.798 1.994 ( -0.001 4.417 -3.334) 5.534 2.136 ( 3.851 -2.074 -2.886) 5.241 2.322 ( 0.121 -2.135 1.690) 2.726 2.353 ( 0.182 -1.481 0.550) 1.590 2.379 ( 0.507 -4.281 1.138) 4.459 2.461 ( 0.366 -0.894 0.575) 1.124 2.521 ( -0.788 -2.347 2.752) 3.702 2.576 ( 1.520 -0.997 0.969) 2.060 2.638 ( -1.048 -3.939 0.959) 4.188 2.784 ( 1.547 1.034 -1.114) 2.169 2.835 ( 1.213 -1.455 -0.709) 2.022 3.008 ( 1.691 1.578 -1.688) 2.864 3.148 ( 1.319 4.857 1.111) 5.154 3.266 ( 2.140 3.843 0.569) 4.435 3.522 ( 3.698 -2.341 1.598) 4.659 3.611 ( 4.240 -2.510 0.316) 4.937 3.663 ( 0.815 -1.320 -0.225) 1.568 3.683 ( 1.800 -0.598 0.563) 1.978 3.712 ( 0.532 -1.545 -0.725) 1.788 3.763 ( 0.854 -0.587 0.099) 1.041 3.920 ( 3.420 -0.057 1.691) 3.816 3.973 ( 9.017 -0.031 -7.949) 12.020 4.187 ( -1.516 -5.194 -0.291) 5.419 4.291 ( -0.197 -2.749 0.013) 2.756 4.451 ( 2.606 0.913 1.745) 3.267 4.559 ( -0.276 2.586 1.197) 2.863 4.704 ( -4.146 1.313 3.734) 5.732 4.787 ( -2.577 2.664 -3.991) 5.447 5.638 ( -2.441 -1.094 6.701) 7.215 5.697 ( 0.423 0.608 -3.574) 3.650 5.898 ( 1.219 -6.834 1.587) 7.121 6.012 ( 2.667 -5.871 -1.563) 6.635 6.514 ( 9.904 2.656 -0.464) 10.265 6.537 ( 9.580 1.929 -3.526) 10.389 7.699 ( -1.008 -2.287 2.147) 3.294 7.847 ( 0.809 1.447 -2.756) 3.216 7.975 ( 3.676 -1.414 -3.003) 4.953 8.014 ( 2.700 -0.220 1.155) 2.945 8.391 ( 2.127 -0.180 0.410) 2.173 8.404 ( 1.954 0.054 0.353) 1.987 8.786 ( 0.793 -0.123 5.305) 5.366 8.798 ( 0.698 -0.388 -3.531) 3.621 8.997 ( -0.657 -0.426 2.045) 2.190 9.077 ( 0.138 1.356 -2.224) 2.608 9.126 ( -1.410 -0.075 -1.465) 2.035 9.163 ( 0.651 0.746 0.351) 1.051 9.454 ( -4.011 0.739 0.295) 4.089 9.471 ( -4.151 -0.039 0.343) 4.165 9.578 ( -2.240 1.899 0.134) 2.940 9.607 ( -1.972 1.704 -0.502) 2.654 9.853 ( -1.350 -0.560 1.767) 2.293 9.910 ( -0.044 0.625 -1.370) 1.507 10.087 ( -0.325 1.033 0.541) 1.211 10.114 ( 0.230 1.892 -0.549) 1.984 10.152 ( 0.274 -1.824 0.658) 1.958 10.179 ( 0.750 -1.221 -0.642) 1.570 11.827 ( -6.673 1.255 4.736) 8.279 11.929 ( -4.269 3.051 -4.440) 6.874 15.363 ( -3.217 -0.242 0.868) 3.341 15.460 ( -2.582 2.015 1.175) 3.480 15.523 ( -2.408 -1.486 1.526) 3.215 15.612 ( -1.203 0.433 -1.505) 1.975 16.322 ( 2.663 -1.557 -0.541) 3.132 16.464 ( 3.976 2.269 -1.166) 4.724 ======================= Grid point 115 (52/115) ======================= q-point: ( 0.56 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 0.210 -0.252 0.865) 0.925 1.101 ( -0.053 0.429 -0.239) 0.494 1.177 ( -0.782 -0.295 0.365) 0.912 1.197 ( 0.123 2.308 -1.631) 2.829 1.362 ( -1.185 -3.333 -2.892) 4.569 1.388 ( 0.438 -1.902 -1.367) 2.383 1.498 ( 2.754 -2.806 2.292) 4.551 1.561 ( 4.552 1.233 0.437) 4.736 1.623 ( -1.964 0.655 0.777) 2.211 1.650 ( -0.547 2.230 2.521) 3.410 1.714 ( -2.472 -2.438 1.218) 3.679 1.751 ( 0.599 1.038 -0.798) 1.440 1.787 ( -3.385 -0.910 1.288) 3.735 1.886 ( 0.549 5.980 -3.123) 6.768 2.070 ( -0.085 -5.474 2.323) 5.947 2.159 ( 2.494 1.639 -1.967) 3.574 2.353 ( 0.047 -1.258 2.579) 2.870 2.373 ( 0.913 -0.166 -0.107) 0.934 2.481 ( 0.646 -3.774 0.982) 3.953 2.502 ( 1.484 -3.653 -0.207) 3.948 2.596 ( 0.192 -5.483 1.263) 5.630 2.618 ( 1.248 -2.538 0.790) 2.936 2.701 ( -1.087 -3.966 0.712) 4.174 2.763 ( 0.298 2.022 -0.836) 2.208 2.865 ( -0.478 -1.554 -0.112) 1.630 2.956 ( 2.666 6.128 -2.630) 7.182 3.096 ( -3.147 0.226 1.994) 3.732 3.177 ( 0.189 6.461 -0.695) 6.501 3.640 ( 2.593 -5.641 0.503) 6.228 3.683 ( 1.819 -1.953 -0.082) 2.670 3.695 ( 0.243 -1.509 -0.075) 1.530 3.700 ( 1.894 -0.570 0.455) 2.030 3.740 ( -1.708 -2.394 0.452) 2.975 3.772 ( 0.209 0.103 -0.425) 0.485 3.963 ( 0.055 -2.313 2.080) 3.111 4.022 ( 7.897 1.743 -5.856) 9.985 4.282 ( 0.472 -5.626 0.393) 5.659 4.344 ( 1.453 -2.150 -0.402) 2.626 4.458 ( 0.514 0.414 1.630) 1.759 4.508 ( -1.570 1.988 1.373) 2.881 4.649 ( -3.826 1.628 1.661) 4.477 4.695 ( -0.481 4.803 -3.005) 5.686 5.663 ( -2.668 -2.733 4.313) 5.761 5.688 ( 2.514 1.439 -0.379) 2.921 6.060 ( 0.456 -10.197 1.819) 10.368 6.146 ( 3.117 -6.453 -2.223) 7.503 6.513 ( 3.251 4.166 -1.698) 5.551 6.541 ( 3.075 3.927 -1.853) 5.321 7.745 ( -1.093 -3.467 1.511) 3.937 7.822 ( 0.873 1.609 -1.607) 2.436 8.017 ( 2.412 -0.872 -1.822) 3.146 8.034 ( -0.070 -0.644 -0.639) 0.910 8.400 ( -0.154 0.395 0.860) 0.959 8.409 ( 0.510 0.662 0.191) 0.857 8.807 ( -0.070 -0.555 1.970) 2.048 8.812 ( 1.620 -0.514 -0.749) 1.857 9.003 ( -0.755 -0.460 1.352) 1.616 9.047 ( 0.409 1.736 -1.099) 2.095 9.110 ( -0.729 0.007 -1.026) 1.258 9.144 ( -0.258 1.621 0.067) 1.642 9.427 ( -0.998 -0.164 0.395) 1.086 9.449 ( -1.390 -0.591 0.103) 1.514 9.527 ( -1.140 2.153 0.207) 2.445 9.558 ( -0.771 2.335 -0.547) 2.519 9.858 ( -1.021 -0.786 0.922) 1.584 9.892 ( 0.433 1.284 -0.837) 1.592 10.075 ( -0.472 0.122 0.308) 0.577 10.085 ( 0.102 1.374 -0.300) 1.411 10.185 ( -0.023 -1.558 0.363) 1.600 10.196 ( 0.680 -0.271 -0.383) 0.826 11.770 ( -3.994 0.424 2.341) 4.648 11.832 ( -0.430 4.340 -2.378) 4.968 15.358 ( -1.000 -0.908 1.690) 2.163 15.406 ( -1.260 2.532 1.578) 3.238 15.532 ( -2.133 -1.305 1.352) 2.843 15.578 ( -0.200 2.323 -0.967) 2.524 16.377 ( 1.167 -3.005 -1.022) 3.382 16.444 ( 1.945 2.450 -2.044) 3.737 ======================= Grid point 116 (53/115) ======================= q-point: (-0.33 -0.67 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 0.960 0.285 0.734) 1.241 1.105 ( 0.102 -0.587 -0.677) 0.902 1.171 ( -1.785 -0.656 -0.076) 1.903 1.176 ( 0.881 0.895 -0.639) 1.409 1.359 ( -2.265 0.549 -1.632) 2.845 1.382 ( -1.396 1.736 0.995) 2.440 1.570 ( -0.416 0.323 -0.257) 0.586 1.587 ( 0.153 0.762 0.403) 0.875 1.609 ( 3.478 -1.348 -1.396) 3.983 1.627 ( 1.380 -0.856 2.527) 3.003 1.722 ( 2.569 3.338 -0.384) 4.230 1.737 ( -2.039 -1.830 0.464) 2.779 1.795 ( -1.339 -0.663 0.196) 1.507 1.805 ( -1.038 0.582 0.052) 1.191 2.136 ( -0.046 -0.407 0.141) 0.433 2.144 ( 1.063 0.045 0.091) 1.068 2.382 ( 1.237 -0.378 0.081) 1.296 2.391 ( 1.189 -1.237 1.809) 2.493 2.525 ( 0.339 -0.467 0.371) 0.686 2.540 ( 0.246 0.030 -0.503) 0.561 2.663 ( 1.098 0.352 -0.420) 1.227 2.677 ( 0.844 -1.125 0.431) 1.472 2.729 ( 0.498 1.000 -0.713) 1.325 2.739 ( -1.026 -1.504 -0.169) 1.828 2.878 ( -0.739 -0.448 -0.532) 1.015 2.888 ( -0.056 0.519 -0.093) 0.531 3.094 ( -1.279 -0.986 0.334) 1.649 3.102 ( 0.043 0.362 0.450) 0.579 3.689 ( -0.612 0.044 -0.011) 0.614 3.700 ( -0.065 0.199 0.089) 0.228 3.723 ( 0.473 -0.372 -0.074) 0.606 3.731 ( 0.094 -0.471 0.162) 0.507 3.764 ( 0.751 0.760 -0.777) 1.321 3.776 ( -0.561 -2.139 0.296) 2.231 4.001 ( 4.237 6.843 -0.232) 8.052 4.009 ( -5.751 -5.777 -0.329) 8.158 4.347 ( 0.286 -0.865 1.260) 1.555 4.368 ( 0.741 0.176 -0.011) 0.762 4.473 ( -0.295 -1.858 0.344) 1.913 4.487 ( 0.977 1.573 -1.052) 2.130 4.614 ( -0.871 -0.053 -0.412) 0.965 4.622 ( -0.015 1.068 -0.019) 1.068 5.694 ( 4.251 2.173 2.457) 5.369 5.708 ( -2.520 -4.397 1.154) 5.198 6.204 ( 1.037 -2.813 -1.109) 3.197 6.227 ( 1.722 -0.710 -1.476) 2.376 6.454 ( -1.407 1.715 -0.801) 2.358 6.475 ( -3.375 2.375 0.386) 4.145 7.793 ( -1.038 -2.796 0.314) 2.999 7.803 ( 0.940 1.280 -0.280) 1.613 8.025 ( -0.177 1.047 -0.071) 1.065 8.030 ( -1.819 -0.206 -1.166) 2.171 8.399 ( 0.213 -0.554 0.172) 0.618 8.407 ( 0.580 -0.197 0.357) 0.709 8.814 ( 1.029 0.875 0.601) 1.479 8.834 ( -0.331 -1.550 -0.154) 1.592 9.009 ( 0.420 0.213 0.435) 0.641 9.026 ( 0.048 0.330 -0.414) 0.531 9.105 ( 0.351 0.569 -0.207) 0.700 9.118 ( -0.561 0.494 -0.332) 0.818 9.436 ( 0.179 -0.982 0.537) 1.134 9.462 ( 0.524 -1.194 -0.422) 1.371 9.492 ( -0.426 1.018 0.365) 1.163 9.516 ( -0.030 1.856 -0.522) 1.928 9.863 ( -0.404 -0.178 0.087) 0.450 9.873 ( 0.165 0.905 -0.075) 0.923 10.072 ( 0.251 0.285 0.034) 0.381 10.075 ( -0.235 -0.490 -0.011) 0.544 10.197 ( 0.310 0.547 0.059) 0.632 10.203 ( -0.341 -0.616 -0.046) 0.706 11.762 ( -1.880 -2.551 -0.139) 3.171 11.768 ( 2.227 3.664 -0.268) 4.297 15.363 ( -0.144 1.301 2.312) 2.656 15.388 ( 0.073 -1.089 1.690) 2.012 15.530 ( -1.130 -0.183 0.312) 1.186 15.535 ( 1.306 2.929 0.108) 3.209 16.415 ( 0.295 0.723 -1.689) 1.860 16.430 ( -0.501 -2.471 -1.965) 3.197 ======================= Grid point 117 (54/115) ======================= q-point: (-0.22 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 0.876 0.732 -0.408) 1.212 1.115 ( 0.658 -1.023 0.403) 1.281 1.146 ( -0.242 1.464 0.173) 1.494 1.179 ( -1.537 -1.504 -0.428) 2.192 1.296 ( -1.600 3.690 1.261) 4.215 1.356 ( -3.447 -0.937 1.206) 3.770 1.534 ( -0.037 2.247 -1.996) 3.006 1.553 ( 1.527 3.431 0.822) 3.844 1.620 ( 3.578 3.670 1.648) 5.384 1.669 ( 0.101 -1.567 0.524) 1.656 1.740 ( 1.614 -0.197 0.238) 1.643 1.753 ( 0.341 -1.340 -1.492) 2.034 1.795 ( 2.361 -2.111 1.731) 3.610 1.845 ( -4.119 -6.589 -2.265) 8.094 2.110 ( -0.409 2.236 -1.445) 2.693 2.141 ( -1.265 1.589 0.622) 2.124 2.400 ( 0.787 0.277 -0.038) 0.836 2.422 ( 0.926 -0.578 0.380) 1.156 2.491 ( -1.642 3.026 -1.144) 3.628 2.514 ( -0.947 2.477 0.385) 2.679 2.631 ( 0.007 2.333 -0.405) 2.368 2.643 ( -0.081 3.657 0.114) 3.660 2.724 ( -0.764 -0.110 -0.381) 0.861 2.753 ( -0.714 -0.892 -0.382) 1.205 2.876 ( -1.273 -0.144 -1.930) 2.316 2.908 ( 0.961 -1.436 0.891) 1.944 3.134 ( 3.887 -2.074 1.008) 4.520 3.165 ( 3.347 -4.618 1.048) 5.798 3.653 ( -1.948 2.716 -0.172) 3.347 3.672 ( -0.284 3.991 0.676) 4.058 3.699 ( -0.626 2.686 0.099) 2.759 3.724 ( 0.382 1.238 -0.105) 1.300 3.753 ( 0.689 1.322 -0.069) 1.492 3.779 ( -0.357 0.795 -0.108) 0.878 3.909 ( 1.937 6.737 3.194) 7.703 4.021 ( -6.592 -3.434 -4.420) 8.648 4.320 ( -2.908 2.246 -0.150) 3.677 4.351 ( -2.753 1.360 0.322) 3.087 4.471 ( 3.500 1.500 0.287) 3.819 4.502 ( 1.460 -0.522 -0.894) 1.790 4.608 ( 3.933 1.253 3.442) 5.375 4.690 ( -2.342 -7.796 -2.435) 8.497 5.706 ( 5.068 3.364 4.588) 7.619 5.769 ( -2.093 -5.833 -2.492) 6.679 6.140 ( 1.104 7.923 -1.122) 8.078 6.166 ( -4.502 4.673 -3.893) 7.567 6.408 ( -2.727 3.157 1.634) 4.480 6.473 ( 0.438 -1.914 1.849) 2.697 7.794 ( 1.654 1.303 1.113) 2.381 7.820 ( -1.146 -1.899 -1.215) 2.529 7.983 ( -0.390 3.807 1.818) 4.236 8.001 ( -2.833 0.198 -0.838) 2.961 8.416 ( 1.822 0.261 0.580) 1.930 8.431 ( 0.575 -1.277 -0.845) 1.636 8.790 ( 2.544 4.609 2.077) 5.660 8.865 ( -1.642 -3.858 -2.678) 4.975 9.006 ( 1.389 0.805 0.982) 1.881 9.039 ( -0.386 -1.871 -1.079) 2.194 9.088 ( 0.397 1.668 0.520) 1.792 9.120 ( -1.038 -1.433 -0.834) 1.956 9.456 ( -0.499 -1.352 0.197) 1.455 9.475 ( -0.263 -0.499 -0.414) 0.700 9.499 ( 0.929 -1.145 0.364) 1.518 9.513 ( 0.034 -1.933 -0.351) 1.965 9.851 ( 0.696 1.377 0.964) 1.820 9.873 ( -1.045 -1.162 -0.737) 1.727 10.080 ( 0.833 -0.379 0.418) 1.006 10.085 ( -0.053 -0.865 -0.379) 0.946 10.184 ( 0.011 1.274 0.548) 1.387 10.199 ( -0.852 0.200 -0.460) 0.989 11.754 ( 2.531 1.125 1.779) 3.291 11.818 ( -1.639 -6.602 -2.442) 7.228 15.361 ( 0.129 -0.319 2.783) 2.804 15.412 ( -1.013 -1.301 1.108) 1.987 15.518 ( 3.012 1.617 1.212) 3.627 15.535 ( 0.972 -1.090 -1.019) 1.781 16.398 ( -0.378 0.780 -0.461) 0.981 16.440 ( -2.062 -0.651 -2.811) 3.547 ======================= Grid point 118 (55/115) ======================= q-point: (-0.11 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -0.612 -0.029 0.340) 0.701 1.128 ( -0.934 -0.070 0.056) 0.939 1.152 ( 1.528 -0.766 0.397) 1.754 1.196 ( -1.478 -1.265 1.472) 2.440 1.246 ( 0.697 1.411 1.119) 1.931 1.316 ( -3.206 2.511 0.295) 4.083 1.503 ( 3.015 2.883 0.227) 4.178 1.509 ( 1.402 3.691 0.074) 3.949 1.613 ( 1.221 0.581 1.696) 2.169 1.695 ( -0.463 -1.806 -0.100) 1.867 1.748 ( -0.064 -0.661 0.299) 0.728 1.765 ( 0.880 -0.590 -0.921) 1.404 1.894 ( 3.531 -3.931 3.184) 6.169 1.920 ( -2.293 -7.393 -5.434) 9.457 2.035 ( -3.473 2.918 -3.927) 6.000 2.080 ( -1.813 3.979 1.927) 4.778 2.362 ( -1.597 3.049 0.326) 3.457 2.401 ( -2.410 2.216 -0.249) 3.283 2.443 ( 1.369 1.522 -2.170) 2.983 2.476 ( 0.903 2.242 1.369) 2.778 2.574 ( 1.360 4.987 1.161) 5.298 2.618 ( 0.913 0.265 -1.387) 1.682 2.696 ( -2.874 0.403 -2.899) 4.102 2.758 ( 0.037 0.315 1.084) 1.129 2.835 ( -1.612 1.699 -2.449) 3.388 2.955 ( 1.790 -1.159 3.474) 4.076 3.198 ( 5.450 0.871 0.050) 5.519 3.297 ( 5.799 -4.005 0.968) 7.114 3.561 ( 1.643 9.198 2.838) 9.765 3.583 ( 0.244 3.955 -0.439) 3.987 3.638 ( -0.872 4.502 1.155) 4.729 3.706 ( 0.883 1.554 -0.364) 1.824 3.727 ( -1.062 0.839 -0.016) 1.354 3.769 ( 0.470 0.498 0.116) 0.694 3.852 ( 0.847 3.129 1.613) 3.620 3.973 ( -2.066 1.652 -6.023) 6.578 4.237 ( -3.801 2.352 -1.594) 4.746 4.307 ( -2.527 0.555 0.697) 2.680 4.484 ( 3.281 1.850 1.361) 4.005 4.503 ( 1.273 1.485 -1.878) 2.711 4.659 ( 1.693 -1.622 5.866) 6.317 4.786 ( -2.498 -7.324 -3.532) 8.507 5.699 ( 3.512 4.654 5.423) 7.963 5.841 ( -0.929 -6.242 -5.667) 8.482 6.014 ( -1.725 5.674 -2.199) 6.325 6.039 ( -0.410 5.005 -1.221) 5.169 6.308 ( 0.786 8.383 1.273) 8.515 6.476 ( 2.132 4.329 2.041) 5.239 7.798 ( 2.272 1.326 2.550) 3.664 7.827 ( -0.955 -1.055 -2.790) 3.132 7.914 ( -0.144 4.800 2.476) 5.403 7.973 ( -1.350 0.401 0.196) 1.422 8.417 ( 1.613 1.993 -0.038) 2.564 8.432 ( 1.208 2.071 -0.594) 2.470 8.738 ( 2.336 5.202 3.652) 6.772 8.903 ( -0.975 -3.561 -5.236) 6.407 9.017 ( 1.268 0.236 0.996) 1.630 9.058 ( -0.314 -0.279 0.459) 0.622 9.071 ( -0.314 -0.468 -1.047) 1.189 9.129 ( -0.881 -0.893 -0.420) 1.323 9.485 ( -1.567 -3.419 -0.135) 3.763 9.495 ( -0.866 -2.904 -0.217) 3.038 9.543 ( 0.002 -3.122 0.658) 3.191 9.552 ( -0.804 -3.128 -0.525) 3.272 9.844 ( 0.577 0.804 1.942) 2.180 9.882 ( -1.126 -1.589 -1.343) 2.366 10.097 ( 0.683 -0.446 0.198) 0.839 10.100 ( 0.562 -0.784 -0.095) 0.970 10.162 ( -0.190 1.366 0.619) 1.512 10.180 ( -0.847 0.791 -0.605) 1.307 11.788 ( 0.696 -2.097 3.744) 4.348 11.922 ( -3.304 -9.795 -4.451) 11.254 15.390 ( -0.687 -2.170 2.245) 3.197 15.424 ( -2.245 -2.307 0.180) 3.224 15.550 ( 3.995 -0.739 2.195) 4.618 15.578 ( 1.859 -2.562 -1.300) 3.422 16.371 ( -0.793 2.186 -0.070) 2.326 16.393 ( -1.950 2.447 -2.546) 4.033 ======================= Grid point 123 (56/115) ======================= q-point: ( 0.44 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -1.272 -0.000 0.352) 1.320 1.116 ( -0.187 -0.000 0.448) 0.486 1.168 ( -0.323 -0.000 0.711) 0.781 1.240 ( -1.952 -0.000 -3.232) 3.776 1.262 ( 1.239 0.000 -1.818) 2.200 1.328 ( 1.252 0.000 -1.994) 2.355 1.504 ( 1.379 0.000 3.740) 3.987 1.518 ( 0.368 0.000 2.484) 2.511 1.653 ( 1.497 0.000 -0.663) 1.637 1.661 ( -0.915 -0.000 5.049) 5.131 1.707 ( -1.453 -0.000 0.726) 1.624 1.765 ( 0.517 0.000 -1.501) 1.588 1.806 ( -3.371 -0.000 0.960) 3.505 1.889 ( -0.645 -0.000 0.333) 0.726 2.059 ( 1.895 0.000 -1.986) 2.745 2.100 ( 2.852 0.000 -4.276) 5.140 2.315 ( 0.429 0.000 2.500) 2.537 2.317 ( -1.239 -0.000 1.758) 2.151 2.373 ( 0.494 0.000 1.148) 1.250 2.457 ( 0.114 0.000 1.443) 1.447 2.498 ( -2.184 -0.000 3.521) 4.144 2.586 ( 0.324 0.000 1.877) 1.905 2.597 ( 0.065 0.000 1.502) 1.504 2.804 ( 1.129 0.000 -1.774) 2.103 2.835 ( 1.600 0.000 -0.536) 1.688 3.010 ( -0.768 -0.000 -1.678) 1.845 3.243 ( 3.038 0.000 -0.224) 3.046 3.313 ( 1.102 0.000 1.084) 1.545 3.539 ( 1.368 0.000 0.472) 1.447 3.606 ( 0.777 0.000 0.962) 1.237 3.658 ( 0.475 0.000 0.090) 0.483 3.674 ( -0.387 -0.000 -0.022) 0.388 3.727 ( 2.311 0.000 -0.913) 2.485 3.758 ( -0.141 -0.000 -0.480) 0.500 3.945 ( 0.743 0.000 0.477) 0.883 4.037 ( 9.528 0.000 -7.893) 12.373 4.125 ( -0.388 -0.000 1.167) 1.230 4.257 ( -0.421 -0.000 -0.402) 0.583 4.491 ( 1.805 0.000 2.035) 2.720 4.568 ( -4.152 -0.000 3.636) 5.519 4.694 ( -2.054 -0.000 0.782) 2.198 4.784 ( -0.173 -0.000 -3.250) 3.255 5.624 ( -3.249 -0.000 6.132) 6.940 5.712 ( 2.904 0.000 -0.530) 2.952 5.852 ( 0.451 0.000 1.367) 1.440 5.973 ( 1.429 0.000 -1.419) 2.014 6.610 ( 4.315 0.000 -1.275) 4.500 6.618 ( 6.797 0.000 -5.209) 8.563 7.678 ( -0.990 -0.000 2.074) 2.298 7.859 ( 0.975 0.000 -2.977) 3.133 7.985 ( 3.104 0.000 -3.009) 4.323 8.027 ( 0.134 0.000 -0.983) 0.992 8.414 ( 1.797 0.000 0.571) 1.886 8.424 ( 1.003 0.000 1.021) 1.431 8.802 ( -1.169 -0.000 3.875) 4.048 8.802 ( 2.727 0.000 -1.275) 3.011 8.995 ( -0.675 -0.000 2.492) 2.582 9.088 ( 0.862 0.000 -1.603) 1.820 9.106 ( -0.956 -0.000 -1.506) 1.784 9.172 ( -0.060 -0.000 -0.545) 0.548 9.428 ( -2.548 -0.000 0.361) 2.574 9.438 ( -2.412 -0.000 0.521) 2.468 9.579 ( -1.202 -0.000 0.113) 1.207 9.603 ( -1.272 -0.000 -0.560) 1.390 9.840 ( -1.455 -0.000 1.517) 2.103 9.911 ( 0.329 0.000 -1.178) 1.223 10.104 ( -0.332 -0.000 0.573) 0.663 10.124 ( -0.034 -0.000 0.158) 0.161 10.154 ( 0.482 0.000 -0.444) 0.656 10.156 ( 0.317 0.000 -0.325) 0.454 11.791 ( -5.632 -0.000 3.698) 6.738 11.916 ( -0.788 -0.000 -3.149) 3.246 15.342 ( -1.272 -0.000 1.884) 2.273 15.457 ( -1.738 -0.000 1.042) 2.026 15.501 ( -1.290 -0.000 1.453) 1.943 15.601 ( -0.336 -0.000 -1.409) 1.449 16.331 ( 1.699 0.000 -0.317) 1.729 16.505 ( 1.454 0.000 -2.218) 2.652 ======================= Grid point 124 (57/115) ======================= q-point: (-0.44 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -0.397 -0.637 0.752) 1.062 1.118 ( -0.175 0.589 0.820) 1.025 1.167 ( -0.218 -0.718 -0.583) 0.950 1.212 ( -0.495 0.397 -2.473) 2.553 1.303 ( 0.857 -1.980 -2.610) 3.387 1.331 ( 0.018 -1.670 -2.514) 3.018 1.495 ( -2.851 -0.623 3.057) 4.227 1.543 ( -3.292 -3.014 1.906) 4.853 1.639 ( -1.695 1.419 1.220) 2.525 1.673 ( -0.117 0.589 1.458) 1.577 1.709 ( 2.198 0.603 1.723) 2.857 1.765 ( 1.122 0.925 -0.099) 1.458 1.780 ( 0.979 0.790 0.255) 1.284 1.939 ( -0.101 -2.803 0.036) 2.805 2.021 ( 3.366 1.425 -0.816) 3.745 2.173 ( 1.913 -2.149 -2.868) 4.063 2.339 ( -0.280 -2.465 2.476) 3.505 2.356 ( -0.603 -3.588 2.420) 4.370 2.395 ( 0.293 -2.924 0.973) 3.096 2.466 ( -0.136 -1.021 1.360) 1.706 2.518 ( -1.236 -3.029 3.049) 4.472 2.598 ( -0.286 -1.056 1.661) 1.989 2.636 ( 0.165 -3.015 2.007) 3.626 2.790 ( 0.260 1.408 -1.641) 2.178 2.855 ( 0.759 -0.723 -0.425) 1.131 2.993 ( -1.073 -0.081 -3.090) 3.272 3.179 ( 0.099 7.861 1.457) 7.995 3.281 ( -0.467 4.989 -0.823) 5.077 3.568 ( -0.581 -3.528 1.233) 3.782 3.638 ( -1.291 -3.220 -0.323) 3.484 3.667 ( -0.470 -1.147 0.288) 1.273 3.689 ( -0.660 -1.756 -0.027) 1.876 3.728 ( 0.957 0.799 -0.104) 1.251 3.762 ( -0.376 -0.775 -0.850) 1.210 3.935 ( -2.774 -0.008 -0.708) 2.863 4.095 ( 7.738 0.086 -5.686) 9.603 4.194 ( 1.929 -5.631 1.101) 6.053 4.288 ( 0.323 -3.675 -0.901) 3.798 4.492 ( -0.395 1.585 2.185) 2.728 4.515 ( -5.301 1.985 4.275) 7.093 4.661 ( -1.656 2.001 -0.983) 2.777 4.764 ( 2.915 2.803 -2.136) 4.573 5.616 ( -3.662 -1.059 4.382) 5.808 5.747 ( 5.072 0.802 2.150) 5.567 5.917 ( -0.496 -6.914 1.680) 7.132 6.034 ( 0.663 -6.487 -1.491) 6.689 6.584 ( -2.390 3.078 -3.045) 4.945 6.617 ( 1.614 3.385 -4.297) 5.704 7.693 ( -0.973 -2.124 1.740) 2.913 7.849 ( 1.181 1.173 -2.287) 2.829 8.009 ( -1.060 -0.585 -2.469) 2.750 8.011 ( 0.142 -0.821 -2.318) 2.463 8.414 ( -0.670 1.126 1.037) 1.671 8.430 ( 0.545 0.348 0.833) 1.054 8.785 ( -4.092 -0.175 1.562) 4.383 8.838 ( 4.016 -0.237 0.916) 4.126 8.997 ( -0.745 -0.062 1.965) 2.102 9.081 ( 1.626 1.503 -0.747) 2.337 9.105 ( 0.628 -0.084 -1.012) 1.194 9.159 ( -0.515 0.685 -0.989) 1.309 9.419 ( 0.157 -0.187 0.554) 0.605 9.430 ( -0.332 -0.468 0.320) 0.657 9.557 ( -0.013 1.793 0.179) 1.802 9.584 ( 0.085 1.361 -0.619) 1.497 9.837 ( -1.249 -0.691 0.963) 1.722 9.909 ( 0.772 0.489 -0.846) 1.245 10.084 ( -0.271 1.199 0.407) 1.295 10.115 ( 0.247 1.899 -0.467) 1.971 10.154 ( -0.390 -1.721 0.402) 1.810 10.186 ( 0.401 -1.399 -0.393) 1.507 11.751 ( -3.253 0.591 2.075) 3.903 11.897 ( 3.185 2.683 -1.643) 4.477 15.352 ( 0.891 -0.371 2.681) 2.850 15.437 ( -0.468 1.589 0.906) 1.888 15.503 ( -0.629 -0.864 1.411) 1.770 15.600 ( 0.859 0.151 -1.040) 1.357 16.347 ( 0.147 -1.005 -0.318) 1.064 16.480 ( -0.796 1.914 -3.082) 3.714 ======================= Grid point 125 (58/115) ======================= q-point: (-0.33 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -0.945 -0.456 0.282) 1.086 1.113 ( -1.020 -0.390 0.495) 1.199 1.154 ( 0.215 1.298 -0.607) 1.449 1.208 ( 1.956 0.902 -1.041) 2.392 1.298 ( -3.642 -1.922 -2.343) 4.738 1.379 ( 0.082 -2.017 -2.545) 3.249 1.499 ( -4.015 -3.040 2.289) 5.532 1.573 ( -2.369 -2.634 1.252) 3.757 1.603 ( -1.757 0.398 0.181) 1.810 1.667 ( 1.507 0.684 0.957) 1.911 1.712 ( 1.272 1.515 0.654) 2.084 1.759 ( 0.840 0.714 0.541) 1.228 1.792 ( 1.933 0.366 0.643) 2.069 1.921 ( 4.790 5.293 -1.182) 7.236 2.089 ( 0.353 -3.641 2.092) 4.214 2.174 ( 0.456 1.146 -1.302) 1.793 2.378 ( 0.114 -1.465 2.160) 2.613 2.394 ( 0.623 -0.688 0.772) 1.207 2.483 ( -1.339 -4.588 1.115) 4.908 2.510 ( -0.863 -3.297 0.130) 3.411 2.582 ( -2.495 -5.467 1.008) 6.093 2.628 ( -1.118 -2.569 1.318) 3.096 2.698 ( 0.400 -2.954 0.981) 3.139 2.762 ( 0.675 1.540 -1.019) 1.966 2.863 ( 0.021 -0.075 -0.342) 0.351 2.976 ( 2.165 2.055 -3.432) 4.549 3.056 ( -2.979 3.456 2.267) 5.095 3.175 ( 0.457 5.432 -0.692) 5.495 3.638 ( -4.375 -6.072 0.764) 7.523 3.671 ( -1.997 -2.480 -0.711) 3.263 3.686 ( -1.546 -1.779 0.186) 2.364 3.709 ( -1.237 -2.331 0.273) 2.653 3.726 ( -0.208 -0.056 -0.080) 0.230 3.773 ( 0.434 -0.680 -0.293) 0.858 3.893 ( -5.085 -0.412 -1.550) 5.332 4.132 ( 5.089 2.290 -1.555) 5.793 4.307 ( 1.289 -4.485 0.611) 4.706 4.355 ( -0.028 -3.474 -0.314) 3.489 4.449 ( -3.061 1.143 2.174) 3.925 4.465 ( -2.471 -0.133 1.056) 2.691 4.595 ( -1.861 2.851 -1.576) 3.752 4.740 ( 5.662 4.358 -0.546) 7.166 5.622 ( -3.642 -2.682 1.852) 4.887 5.793 ( 6.710 1.807 4.053) 8.045 6.059 ( -1.915 -9.830 1.522) 10.130 6.164 ( 0.142 -8.122 -1.477) 8.256 6.464 ( -6.922 3.470 -3.055) 8.324 6.516 ( -3.089 5.903 -2.755) 7.209 7.734 ( -0.923 -3.061 0.915) 3.325 7.834 ( 1.351 1.244 -0.941) 2.063 7.974 ( -4.305 -0.782 -2.354) 4.969 8.032 ( -0.038 -0.828 -1.020) 1.314 8.389 ( -1.031 0.446 0.470) 1.218 8.431 ( 0.674 0.377 0.720) 1.056 8.756 ( -4.986 -1.760 -0.084) 5.288 8.883 ( 4.345 0.579 2.025) 4.829 8.999 ( -0.266 -0.299 0.627) 0.744 9.065 ( 1.764 2.257 -0.475) 2.904 9.099 ( -0.888 0.210 -0.867) 1.259 9.145 ( 1.265 1.151 -0.260) 1.730 9.431 ( 0.843 -0.175 0.589) 1.043 9.449 ( 1.602 -0.835 0.045) 1.807 9.527 ( 0.844 2.350 0.239) 2.508 9.556 ( 1.057 2.289 -0.649) 2.603 9.841 ( -1.135 -0.804 0.241) 1.412 9.902 ( 0.973 1.184 -0.313) 1.564 10.070 ( -0.119 0.291 0.109) 0.333 10.090 ( 0.527 1.187 -0.097) 1.302 10.177 ( -0.857 -1.425 0.041) 1.663 10.203 ( 0.169 -0.394 -0.069) 0.434 11.728 ( -1.203 0.084 0.294) 1.241 11.877 ( 5.814 4.607 -0.278) 7.423 15.381 ( 1.586 -0.200 2.580) 3.035 15.409 ( 0.705 2.011 1.260) 2.476 15.522 ( 0.464 -0.717 0.695) 1.101 15.599 ( 2.565 1.776 0.109) 3.122 16.364 ( -1.767 -2.220 -1.248) 3.099 16.423 ( -2.207 1.454 -2.732) 3.801 ======================= Grid point 126 (59/115) ======================= q-point: (-0.22 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -0.998 -0.890 -0.887) 1.605 1.112 ( -2.100 -1.622 -0.490) 2.698 1.151 ( 1.931 0.736 0.607) 2.153 1.199 ( 1.223 2.168 0.297) 2.507 1.285 ( -3.689 -1.713 -0.298) 4.078 1.354 ( -1.979 2.636 0.729) 3.376 1.513 ( -3.029 -2.217 -2.415) 4.464 1.586 ( -3.287 -1.192 -0.246) 3.505 1.607 ( -0.248 -2.236 0.209) 2.260 1.681 ( 1.549 0.285 0.415) 1.629 1.715 ( 1.889 -0.581 -0.473) 2.032 1.760 ( 0.350 0.163 0.019) 0.387 1.799 ( 1.517 1.112 -0.330) 1.910 1.884 ( 6.822 5.062 3.208) 9.081 2.105 ( -2.703 0.635 -0.857) 2.906 2.166 ( 0.477 0.650 1.108) 1.370 2.399 ( -0.235 -0.596 -0.078) 0.645 2.416 ( 0.336 -1.077 -0.178) 1.142 2.496 ( -3.715 0.797 -0.326) 3.814 2.517 ( -2.506 -0.311 0.261) 2.538 2.609 ( -4.380 -1.906 -1.260) 4.940 2.647 ( -2.161 -0.958 -0.594) 2.437 2.723 ( -0.688 0.677 -1.654) 1.915 2.755 ( 1.308 0.389 1.328) 1.904 2.863 ( 0.092 -0.182 -1.314) 1.330 2.935 ( 1.248 2.329 3.085) 4.062 3.088 ( 2.916 -5.345 -2.047) 6.424 3.168 ( 4.817 -1.879 1.491) 5.381 3.647 ( -5.024 -0.831 -0.786) 5.153 3.674 ( -2.493 -0.795 0.450) 2.655 3.692 ( -3.548 -2.247 -0.534) 4.233 3.720 ( -0.691 0.236 -0.253) 0.773 3.751 ( -1.243 -2.174 -0.971) 2.686 3.782 ( 0.216 -0.078 0.661) 0.699 3.869 ( -4.468 -3.621 -0.927) 5.825 4.089 ( 2.885 7.352 3.886) 8.802 4.329 ( -2.509 1.795 0.032) 3.085 4.349 ( -3.116 1.568 1.334) 3.734 4.463 ( -0.321 -3.712 -0.784) 3.808 4.491 ( 0.133 -3.009 -2.611) 3.986 4.560 ( -0.832 -2.144 -1.042) 2.525 4.726 ( 6.396 4.449 1.315) 7.902 5.650 ( -3.208 -4.456 -1.103) 5.600 5.836 ( 7.134 3.125 4.706) 9.100 6.130 ( -6.024 -1.000 -3.086) 6.842 6.232 ( -1.838 1.327 -0.409) 2.303 6.389 ( -4.508 -2.128 0.288) 4.993 6.411 ( -2.614 -2.060 0.581) 3.378 7.772 ( -0.899 -2.331 -0.607) 2.572 7.832 ( 1.866 0.815 0.712) 2.157 7.948 ( -4.167 -1.787 -1.062) 4.657 8.024 ( -1.186 1.086 1.028) 1.909 8.398 ( 0.263 -1.973 -0.544) 2.063 8.439 ( 1.031 -0.117 0.330) 1.089 8.757 ( -4.156 -4.004 -1.223) 5.899 8.903 ( 4.355 3.164 1.792) 5.673 9.005 ( -0.534 -0.899 -1.032) 1.469 9.044 ( 1.349 1.481 0.412) 2.046 9.090 ( -0.938 -0.559 -0.481) 1.193 9.132 ( 1.314 2.131 0.170) 2.509 9.440 ( 0.266 0.016 0.263) 0.374 9.478 ( 1.355 -0.441 -0.233) 1.444 9.498 ( 1.076 1.794 -0.012) 2.092 9.531 ( 1.646 1.829 -0.201) 2.469 9.842 ( -1.284 -0.777 -0.479) 1.575 9.888 ( 0.955 1.531 0.476) 1.866 10.072 ( 0.195 -0.468 -0.266) 0.573 10.088 ( 1.025 0.056 0.288) 1.066 10.183 ( -1.251 -0.542 -0.336) 1.404 10.202 ( -0.274 0.534 0.359) 0.699 11.730 ( -0.710 -1.670 -1.382) 2.281 11.853 ( 5.994 5.062 0.857) 7.892 15.387 ( 1.176 1.503 2.018) 2.777 15.404 ( 0.123 0.460 1.583) 1.653 15.538 ( 1.964 -0.021 -0.769) 2.109 15.594 ( 3.837 2.560 1.414) 4.824 16.373 ( -3.115 -2.078 -2.397) 4.446 16.389 ( -2.065 -0.841 -1.148) 2.508 ======================= Grid point 127 (60/115) ======================= q-point: (-0.11 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -1.244 -0.200 -1.259) 1.782 1.125 ( -0.885 -1.715 -0.982) 2.166 1.140 ( -0.493 1.655 0.821) 1.912 1.186 ( 0.389 0.183 2.207) 2.248 1.283 ( -0.214 1.274 0.052) 1.293 1.306 ( -1.460 0.055 1.668) 2.217 1.512 ( -0.772 -1.276 -2.517) 2.925 1.558 ( -2.069 0.532 -0.508) 2.196 1.647 ( -1.469 -2.943 -0.038) 3.289 1.681 ( 1.840 2.445 1.221) 3.295 1.742 ( -0.159 -1.675 -1.686) 2.382 1.758 ( 0.158 0.422 0.077) 0.457 1.799 ( 2.839 -0.890 -3.866) 4.878 1.920 ( 4.871 0.165 4.186) 6.425 2.035 ( -3.296 2.541 -2.052) 4.640 2.138 ( -1.682 3.303 3.398) 5.029 2.379 ( -2.821 1.283 -0.658) 3.168 2.403 ( -3.247 1.869 -0.124) 3.748 2.446 ( -0.189 -0.869 -3.001) 3.130 2.501 ( -0.392 0.242 -0.022) 0.462 2.596 ( -1.592 -1.052 -2.554) 3.189 2.622 ( -1.190 0.742 -2.081) 2.509 2.675 ( -1.442 1.816 -3.363) 4.085 2.774 ( 0.880 -0.041 3.020) 3.146 2.850 ( 0.116 1.209 -1.891) 2.247 2.954 ( -0.080 -1.444 4.536) 4.761 3.223 ( 6.626 -4.838 -2.035) 8.453 3.288 ( 5.347 -3.809 1.770) 6.800 3.597 ( -3.461 0.797 -1.453) 3.837 3.648 ( -2.446 1.274 0.652) 2.834 3.690 ( -3.024 -1.613 -0.838) 3.528 3.696 ( -0.403 1.772 -0.095) 1.819 3.748 ( 0.302 0.556 -0.521) 0.819 3.780 ( -0.490 0.737 1.158) 1.457 3.904 ( -3.013 -3.967 -1.004) 5.081 4.001 ( 3.896 8.575 6.072) 11.206 4.243 ( -3.271 3.361 -1.778) 5.015 4.295 ( -3.164 1.131 1.408) 3.644 4.505 ( 0.019 -1.667 -1.822) 2.470 4.527 ( 1.755 -0.788 -0.753) 2.066 4.624 ( -2.187 -6.735 -2.802) 7.616 4.722 ( 4.564 3.318 3.195) 6.485 5.698 ( -2.757 -5.778 -4.412) 7.775 5.842 ( 4.963 5.304 3.519) 8.071 6.028 ( -4.761 2.819 -4.631) 7.215 6.133 ( -2.106 4.683 3.124) 6.010 6.399 ( 0.891 0.801 -0.327) 1.242 6.489 ( -1.284 -4.689 4.055) 6.330 7.788 ( -0.999 -1.363 -2.244) 2.809 7.847 ( 2.495 0.614 2.439) 3.543 7.947 ( -2.318 -1.807 0.629) 3.006 7.984 ( -1.072 2.866 2.271) 3.811 8.438 ( 0.796 -1.615 -0.941) 2.031 8.451 ( 0.924 0.025 -0.360) 0.992 8.794 ( -2.954 -4.843 -2.321) 6.129 8.871 ( 3.417 5.391 1.430) 6.541 9.018 ( -0.762 -2.071 -2.063) 3.021 9.045 ( 1.720 0.782 1.008) 2.141 9.089 ( -0.538 0.566 -0.612) 0.992 9.109 ( 0.167 0.690 1.122) 1.327 9.440 ( -0.539 -0.366 -0.202) 0.682 9.469 ( -0.057 0.454 -0.623) 0.773 9.511 ( 0.722 -0.822 0.070) 1.097 9.529 ( 1.082 0.068 0.183) 1.099 9.842 ( -1.273 -1.101 -1.038) 1.977 9.876 ( 0.820 1.287 1.225) 1.957 10.085 ( 0.410 -0.791 -0.633) 1.093 10.104 ( 1.112 -0.416 0.617) 1.338 10.171 ( -1.081 0.272 -0.367) 1.174 10.186 ( -0.593 0.888 0.487) 1.174 11.760 ( -1.747 -4.179 -2.764) 5.306 11.834 ( 3.816 3.320 1.810) 5.372 15.380 ( -0.561 0.753 0.989) 1.364 15.396 ( -0.133 0.238 1.354) 1.381 15.559 ( 1.606 -0.829 -1.309) 2.231 15.604 ( 3.650 1.327 2.223) 4.475 16.359 ( -2.826 -0.645 -2.812) 4.038 16.392 ( -0.600 -0.792 0.208) 1.015 ======================= Grid point 133 (61/115) ======================= q-point: (-0.44 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 0.558 0.000 0.653) 0.859 1.115 ( -0.209 -0.000 -0.077) 0.223 1.152 ( -0.861 -0.000 0.018) 0.862 1.205 ( 0.019 0.000 -2.748) 2.748 1.288 ( 0.317 0.000 -1.855) 1.882 1.307 ( -1.891 -0.000 -2.877) 3.442 1.454 ( -6.028 -0.000 4.168) 7.328 1.481 ( -3.235 -0.000 2.092) 3.852 1.628 ( -2.425 -0.000 1.004) 2.625 1.707 ( 2.271 0.000 0.820) 2.414 1.723 ( 0.850 0.000 0.599) 1.040 1.779 ( 1.277 0.000 -0.550) 1.391 1.846 ( 4.494 0.000 2.771) 5.280 1.882 ( -0.313 -0.000 0.946) 0.997 2.110 ( 1.234 0.000 -4.521) 4.686 2.119 ( 5.092 0.000 -1.465) 5.299 2.291 ( -2.320 -0.000 1.257) 2.638 2.337 ( -0.417 -0.000 2.956) 2.986 2.382 ( -0.949 -0.000 1.930) 2.151 2.465 ( -0.720 -0.000 1.809) 1.947 2.498 ( -0.184 -0.000 3.509) 3.513 2.575 ( -2.840 -0.000 1.206) 3.086 2.638 ( 2.394 0.000 3.933) 4.604 2.795 ( -0.464 -0.000 -2.538) 2.580 2.851 ( 0.005 0.000 0.446) 0.446 2.961 ( -2.409 -0.000 -3.881) 4.568 3.270 ( -5.535 -0.000 -0.708) 5.581 3.286 ( 0.894 0.000 1.865) 2.068 3.554 ( -0.429 -0.000 1.110) 1.190 3.554 ( -6.279 -0.000 -0.945) 6.350 3.656 ( -1.362 -0.000 -1.498) 2.025 3.667 ( 0.149 0.000 0.695) 0.710 3.730 ( -1.451 -0.000 -1.444) 2.047 3.753 ( 0.533 0.000 0.438) 0.690 3.903 ( -3.196 -0.000 -1.530) 3.543 4.135 ( 4.053 0.000 -4.589) 6.123 4.170 ( 2.844 0.000 2.514) 3.795 4.252 ( -0.034 -0.000 -1.779) 1.780 4.501 ( -2.275 -0.000 2.445) 3.339 4.506 ( -2.875 -0.000 3.978) 4.908 4.657 ( -2.026 -0.000 -1.924) 2.794 4.821 ( 5.073 0.000 -1.231) 5.220 5.584 ( -4.218 -0.000 3.611) 5.553 5.812 ( 3.998 0.000 3.040) 5.023 5.865 ( 1.644 0.000 2.749) 3.203 5.972 ( -0.470 -0.000 -1.549) 1.619 6.540 ( -8.994 -0.000 -4.121) 9.893 6.631 ( -2.331 -0.000 -4.360) 4.944 7.672 ( -0.912 -0.000 1.825) 2.040 7.864 ( 1.492 0.000 -2.721) 3.103 7.966 ( -4.307 -0.000 -2.944) 5.217 7.999 ( 0.205 0.000 -1.977) 1.988 8.422 ( -1.728 -0.000 0.626) 1.838 8.424 ( -1.648 -0.000 1.140) 2.004 8.733 ( -6.628 -0.000 0.220) 6.632 8.884 ( 4.227 0.000 3.042) 5.208 8.999 ( 0.007 0.000 1.873) 1.874 9.104 ( 0.001 0.000 -1.403) 1.403 9.119 ( 2.819 0.000 -0.238) 2.829 9.154 ( 0.040 0.000 -1.535) 1.535 9.433 ( 2.521 0.000 0.656) 2.605 9.435 ( 2.036 0.000 0.309) 2.059 9.578 ( 1.022 0.000 0.007) 1.022 9.601 ( 1.490 0.000 -0.533) 1.583 9.822 ( -1.138 -0.000 0.858) 1.425 9.920 ( 1.185 0.000 -0.701) 1.377 10.102 ( -0.267 -0.000 0.524) 0.588 10.119 ( -0.507 -0.000 -0.052) 0.510 10.157 ( -0.011 -0.000 -0.317) 0.318 10.160 ( 0.376 0.000 -0.198) 0.425 11.741 ( -1.082 -0.000 1.340) 1.722 11.966 ( 7.156 0.000 -0.770) 7.197 15.381 ( 3.118 0.000 3.467) 4.663 15.453 ( 0.729 0.000 0.427) 0.845 15.502 ( 0.384 0.000 1.247) 1.304 15.603 ( 1.469 0.000 -1.319) 1.974 16.338 ( -1.038 -0.000 0.618) 1.208 16.465 ( -3.196 -0.000 -3.923) 5.060 ======================= Grid point 134 (62/115) ======================= q-point: (-0.33 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -1.242 0.602 0.144) 1.388 1.106 ( -1.006 0.901 -0.143) 1.358 1.165 ( 0.717 -1.309 -0.497) 1.574 1.204 ( -2.135 -1.701 -1.034) 2.919 1.247 ( -2.086 0.502 -2.626) 3.391 1.321 ( -1.790 -3.105 -1.740) 3.984 1.428 ( -3.529 -0.971 3.954) 5.388 1.498 ( -2.037 -3.253 1.970) 4.314 1.612 ( -0.075 0.601 0.281) 0.668 1.705 ( 1.553 1.480 0.276) 2.163 1.738 ( 1.193 0.499 0.175) 1.305 1.781 ( 0.070 0.590 -0.188) 0.623 1.841 ( 2.934 2.247 1.301) 3.917 1.958 ( 1.154 -3.503 1.414) 3.950 2.094 ( 4.386 0.399 -2.208) 4.927 2.179 ( 0.950 -0.235 -1.455) 1.753 2.322 ( -2.043 -5.214 0.773) 5.653 2.358 ( -2.195 -2.311 2.692) 4.172 2.395 ( -1.132 -2.829 1.213) 3.280 2.469 ( -1.464 -1.256 1.143) 2.242 2.507 ( -2.806 -0.945 1.829) 3.481 2.570 ( -3.016 -2.673 0.846) 4.118 2.686 ( 2.616 -0.845 3.405) 4.376 2.775 ( -0.624 0.424 -1.959) 2.099 2.854 ( -0.631 -0.397 0.384) 0.839 2.938 ( -1.836 -2.328 -4.323) 5.242 3.141 ( -4.744 6.515 1.288) 8.162 3.264 ( -0.417 4.549 0.096) 4.569 3.487 ( -8.294 -3.029 0.731) 8.860 3.592 ( -2.494 -3.517 -0.196) 4.316 3.634 ( -3.356 -1.356 -2.027) 4.149 3.677 ( -0.553 -0.572 0.768) 1.106 3.717 ( -0.641 -0.380 -0.955) 1.211 3.763 ( -0.057 -0.656 0.600) 0.891 3.866 ( -1.861 0.742 -1.373) 2.429 4.150 ( -0.641 -1.167 -2.215) 2.584 4.244 ( 2.015 -4.041 1.516) 4.763 4.276 ( -1.021 -4.023 -1.198) 4.319 4.465 ( -3.421 1.869 2.391) 4.573 4.488 ( 1.506 2.543 2.111) 3.632 4.611 ( -2.466 1.849 -2.068) 3.712 4.851 ( 6.019 2.322 -0.472) 6.469 5.561 ( -4.139 -1.041 1.981) 4.706 5.873 ( 1.104 -4.162 2.176) 4.825 5.928 ( 4.102 -1.592 4.236) 6.107 6.020 ( -1.004 -6.744 -0.997) 6.891 6.402 ( -12.463 1.758 -3.715) 13.123 6.543 ( -6.319 3.529 -3.810) 8.180 7.687 ( -0.843 -1.946 1.523) 2.611 7.861 ( 1.331 0.784 -1.982) 2.512 7.912 ( -4.881 -0.154 -2.539) 5.504 8.003 ( -0.841 -1.257 -1.154) 1.903 8.387 ( -2.505 0.752 0.521) 2.667 8.420 ( -2.220 -0.930 0.675) 2.500 8.674 ( -6.614 -1.038 -0.388) 6.706 8.930 ( 2.510 -0.194 3.603) 4.395 9.011 ( 2.144 0.480 1.124) 2.468 9.085 ( -2.027 0.208 -1.786) 2.710 9.121 ( 2.154 2.098 -0.835) 3.121 9.165 ( 1.418 -0.264 -0.466) 1.516 9.457 ( 3.465 0.741 0.400) 3.566 9.472 ( 4.296 -0.092 0.394) 4.315 9.578 ( 2.002 1.788 0.018) 2.685 9.604 ( 2.224 1.711 -0.527) 2.855 9.821 ( -0.957 -0.562 0.496) 1.216 9.926 ( 1.352 0.553 -0.456) 1.531 10.082 ( -0.255 1.119 0.296) 1.185 10.118 ( 0.366 1.397 -0.336) 1.482 10.144 ( -0.942 -1.236 0.262) 1.576 10.188 ( 0.019 -1.399 -0.207) 1.415 11.737 ( 0.920 0.852 0.465) 1.337 12.019 ( 9.687 3.375 -0.141) 10.259 15.420 ( 3.412 0.847 3.113) 4.696 15.456 ( 2.106 1.454 0.176) 2.565 15.520 ( 1.533 -0.943 1.169) 2.146 15.629 ( 2.702 -0.946 -0.765) 2.963 16.323 ( -2.685 -0.049 0.488) 2.730 16.402 ( -4.478 1.069 -3.692) 5.901 ======================= Grid point 135 (63/115) ======================= q-point: (-0.22 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -1.588 -0.731 -0.227) 1.763 1.084 ( -0.728 -0.161 -0.548) 0.926 1.180 ( 0.389 0.442 -0.252) 0.640 1.196 ( -4.487 -2.606 -0.757) 5.244 1.244 ( 0.345 -0.268 0.262) 0.510 1.338 ( -2.430 -1.404 -0.659) 2.883 1.424 ( -2.972 -1.092 0.562) 3.216 1.531 ( -2.283 -1.863 0.228) 2.956 1.610 ( 1.093 0.425 0.278) 1.205 1.707 ( 1.911 0.378 0.195) 1.958 1.730 ( 1.224 0.922 -0.106) 1.535 1.773 ( 0.351 0.444 -0.339) 0.660 1.842 ( 2.836 1.486 0.331) 3.218 1.994 ( 1.198 0.670 0.102) 1.376 2.120 ( 2.039 2.244 1.433) 3.353 2.172 ( 0.382 -0.199 -0.183) 0.468 2.364 ( -2.559 -2.493 -0.387) 3.594 2.380 ( -2.723 -2.271 0.387) 3.567 2.444 ( -3.647 -2.726 0.974) 4.657 2.475 ( -2.122 -1.076 -0.079) 2.381 2.500 ( -7.361 -4.501 -0.540) 8.645 2.595 ( -2.169 -2.406 -0.248) 3.249 2.719 ( 1.045 -0.004 -0.035) 1.046 2.768 ( -0.165 -0.496 0.206) 0.562 2.854 ( -0.440 -0.343 -0.758) 0.941 2.977 ( -3.421 -1.889 0.298) 3.919 3.033 ( 2.209 0.395 -0.054) 2.244 3.202 ( 2.671 1.542 0.192) 3.091 3.480 ( -10.151 -5.809 -0.022) 11.696 3.608 ( -3.757 -2.812 -0.292) 4.702 3.634 ( -3.951 -2.582 -0.155) 4.723 3.688 ( -0.447 -1.531 -0.341) 1.631 3.719 ( -0.185 -0.389 -0.364) 0.564 3.774 ( -0.534 -0.792 0.568) 1.111 3.841 ( -0.069 0.670 -0.270) 0.726 4.147 ( -3.667 -1.403 0.979) 4.046 4.307 ( -2.126 -2.250 0.032) 3.095 4.333 ( -1.394 -1.963 -0.031) 2.408 4.410 ( -2.334 0.194 0.792) 2.472 4.471 ( 3.148 2.128 -0.431) 3.824 4.558 ( -0.479 1.242 -0.975) 1.650 4.858 ( 6.018 3.656 0.197) 7.044 5.557 ( -3.553 -2.575 0.071) 4.389 5.952 ( 3.440 -0.617 2.059) 4.056 6.014 ( -0.945 -4.347 1.538) 4.706 6.137 ( -2.114 -8.029 -0.114) 8.304 6.268 ( -10.602 -2.184 -0.341) 10.830 6.395 ( -6.884 3.791 -2.650) 8.293 7.723 ( -0.815 -2.562 0.513) 2.737 7.857 ( -0.694 -0.421 -0.482) 0.944 7.874 ( -2.081 -0.679 -0.991) 2.403 8.009 ( -1.670 -0.944 0.137) 1.924 8.369 ( -1.391 -1.073 -0.003) 1.757 8.421 ( -2.076 -1.507 0.177) 2.571 8.648 ( -5.350 -3.003 -0.574) 6.162 8.960 ( 0.791 -0.443 1.660) 1.892 9.024 ( 3.230 1.866 -0.075) 3.731 9.056 ( -1.449 0.281 -0.457) 1.545 9.102 ( 1.500 1.648 -0.539) 2.293 9.170 ( 0.762 0.942 -0.055) 1.213 9.472 ( 3.317 1.685 0.237) 3.728 9.510 ( 4.153 0.959 0.108) 4.264 9.557 ( 2.431 3.023 -0.155) 3.882 9.587 ( 2.310 2.562 -0.235) 3.457 9.820 ( -1.100 -0.377 0.015) 1.163 9.923 ( 1.235 1.231 0.036) 1.743 10.071 ( 0.092 0.145 -0.041) 0.176 10.104 ( 0.896 0.662 0.054) 1.115 10.155 ( -1.357 -1.151 -0.063) 1.781 10.201 ( -0.488 -0.340 0.076) 0.600 11.732 ( 1.617 1.369 -0.342) 2.146 12.031 ( 9.731 6.546 0.132) 11.729 15.434 ( 1.932 1.579 2.129) 3.280 15.446 ( 2.259 2.405 0.775) 3.389 15.558 ( 2.657 -0.247 -0.104) 2.671 15.665 ( 3.632 0.689 0.568) 3.740 16.299 ( -3.875 -1.322 -1.110) 4.242 16.345 ( -3.643 -0.669 -1.781) 4.110 ======================= Grid point 136 (64/115) ======================= q-point: (-0.11 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 0.428 -0.569 0.011) 0.712 1.094 ( 0.220 -1.201 -1.406) 1.862 1.158 ( -1.559 1.712 -0.131) 2.319 1.198 ( -1.799 -1.237 0.453) 2.230 1.261 ( -0.099 -1.862 2.681) 3.266 1.315 ( -2.673 0.485 0.460) 2.755 1.428 ( -2.510 -3.420 -3.236) 5.336 1.512 ( -3.197 -0.091 -1.496) 3.531 1.614 ( 0.006 -0.170 0.254) 0.306 1.717 ( 1.707 0.442 -0.022) 1.764 1.741 ( 0.969 0.511 0.218) 1.116 1.770 ( 0.687 0.204 -0.513) 0.881 1.846 ( 3.880 1.765 -1.298) 4.456 1.967 ( -1.643 2.076 -1.208) 2.911 2.084 ( 2.111 3.457 3.291) 5.219 2.174 ( -0.457 1.421 2.219) 2.674 2.351 ( -4.323 0.002 -1.090) 4.458 2.388 ( -3.423 -1.231 -2.567) 4.452 2.402 ( -2.771 -0.306 0.142) 2.792 2.483 ( -1.495 -1.274 -0.336) 1.993 2.519 ( -4.060 -4.910 -1.607) 6.571 2.593 ( -2.506 -0.673 -2.402) 3.536 2.700 ( 0.573 2.441 -3.083) 3.974 2.786 ( 0.474 -0.717 2.222) 2.382 2.853 ( -0.012 -0.204 -1.775) 1.786 2.942 ( -2.706 -0.337 4.784) 5.506 3.160 ( 4.240 -7.751 -1.546) 8.969 3.278 ( 4.702 -3.793 0.493) 6.061 3.485 ( -7.798 -5.859 -1.315) 9.842 3.612 ( -4.065 -1.318 0.135) 4.275 3.639 ( -2.557 -2.232 1.404) 3.673 3.698 ( -1.148 -0.397 -0.831) 1.472 3.727 ( -0.659 -1.232 -0.101) 1.401 3.781 ( -0.872 -0.480 0.663) 1.196 3.844 ( 0.079 -0.944 0.771) 1.221 4.136 ( -1.230 0.953 4.048) 4.337 4.269 ( -2.371 3.183 -1.723) 4.327 4.289 ( -3.461 1.162 1.633) 3.999 4.444 ( -0.971 -3.838 -1.544) 4.249 4.483 ( 2.026 -0.871 -3.027) 3.745 4.563 ( 0.441 -1.337 0.782) 1.610 4.846 ( 5.025 4.465 0.884) 6.780 5.578 ( -2.911 -3.992 -1.992) 5.327 5.946 ( -2.632 1.262 -2.025) 3.552 6.022 ( 1.827 3.064 -0.760) 3.647 6.155 ( -5.424 1.003 2.600) 6.098 6.321 ( -4.422 -9.845 3.481) 11.340 6.368 ( -1.907 -5.842 -0.155) 6.147 7.747 ( -1.157 -1.615 -1.245) 2.345 7.868 ( -1.931 -2.719 1.289) 3.576 7.890 ( 1.419 -0.887 1.258) 2.094 7.999 ( -2.159 0.283 1.496) 2.641 8.396 ( -0.305 -2.968 -0.604) 3.045 8.431 ( -1.703 -1.813 -0.529) 2.543 8.668 ( -4.090 -5.029 -0.665) 6.516 8.969 ( 0.082 0.169 -2.179) 2.187 9.000 ( 2.468 3.246 0.041) 4.078 9.054 ( -0.831 -0.655 1.104) 1.529 9.099 ( 2.028 0.866 0.168) 2.211 9.149 ( 0.191 2.042 0.340) 2.079 9.465 ( 2.342 2.387 -0.050) 3.344 9.505 ( 1.851 2.903 -0.677) 3.509 9.539 ( 2.707 2.109 0.078) 3.433 9.566 ( 1.914 2.320 0.145) 3.012 9.814 ( -1.171 -0.467 -0.393) 1.321 9.911 ( 1.019 1.500 0.583) 1.905 10.077 ( 0.498 -0.537 -0.402) 0.835 10.111 ( 0.826 -0.127 0.306) 0.890 10.157 ( -0.883 -0.653 -0.212) 1.119 10.192 ( -1.002 0.492 0.336) 1.166 11.722 ( 0.905 0.816 -1.078) 1.627 11.992 ( 7.566 8.071 0.288) 11.067 15.409 ( -0.095 2.880 0.689) 2.963 15.435 ( 2.266 2.158 1.575) 3.503 15.567 ( 0.899 0.755 -1.137) 1.634 15.672 ( 2.374 2.302 1.677) 3.707 16.293 ( -2.678 -2.540 -2.610) 4.521 16.354 ( -0.713 -2.942 0.294) 3.041 ======================= Grid point 143 (65/115) ======================= q-point: (-0.33 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -7.865 -0.000 0.119) 7.866 1.107 ( -9.650 -0.000 -0.590) 9.668 1.132 ( 2.077 0.000 -0.666) 2.181 1.152 ( 0.426 0.000 0.563) 0.706 1.226 ( -1.061 -0.000 0.636) 1.237 1.278 ( 1.417 0.000 -2.009) 2.459 1.426 ( -0.919 -0.000 3.719) 3.831 1.458 ( -0.249 -0.000 0.957) 0.989 1.616 ( 0.023 0.000 0.053) 0.058 1.738 ( 0.615 0.000 0.184) 0.642 1.753 ( 2.002 0.000 0.653) 2.106 1.786 ( -0.036 -0.000 -0.366) 0.368 1.892 ( 0.514 0.000 1.265) 1.365 1.946 ( 3.875 0.000 1.266) 4.076 2.088 ( -0.115 -0.000 -4.887) 4.888 2.208 ( 4.351 0.000 -1.099) 4.487 2.250 ( -3.030 -0.000 1.727) 3.487 2.321 ( -3.593 -0.000 3.145) 4.775 2.362 ( -1.943 -0.000 0.969) 2.172 2.392 ( -11.694 -0.000 0.419) 11.701 2.490 ( -4.525 -0.000 -0.807) 4.596 2.528 ( 0.898 0.000 2.335) 2.502 2.721 ( 2.440 0.000 2.994) 3.862 2.753 ( -2.388 -0.000 -2.486) 3.447 2.853 ( 0.282 0.000 1.826) 1.848 2.875 ( -2.685 -0.000 -3.861) 4.703 3.145 ( -5.540 -0.000 -0.076) 5.540 3.304 ( -0.855 -0.000 3.211) 3.323 3.382 ( -9.048 -0.000 -1.854) 9.236 3.539 ( -1.617 -0.000 0.853) 1.828 3.570 ( -6.167 -0.000 -2.926) 6.826 3.675 ( 0.136 0.000 1.095) 1.103 3.704 ( -0.242 -0.000 -1.268) 1.291 3.755 ( -0.736 -0.000 1.207) 1.413 3.859 ( 0.012 0.000 -1.378) 1.378 4.097 ( -5.603 -0.000 -2.287) 6.052 4.228 ( -0.187 -0.000 -1.626) 1.637 4.244 ( 2.896 0.000 2.017) 3.530 4.451 ( -4.481 -0.000 2.731) 5.248 4.538 ( 0.729 0.000 0.361) 0.813 4.603 ( 0.456 0.000 -0.925) 1.032 4.924 ( 5.417 0.000 -0.346) 5.428 5.520 ( -3.971 -0.000 1.556) 4.265 5.805 ( -2.849 -0.000 1.111) 3.058 5.937 ( -1.953 -0.000 -1.575) 2.509 6.021 ( 6.984 0.000 5.947) 9.173 6.270 ( -14.988 -0.000 -3.025) 15.290 6.484 ( -8.778 -0.000 -4.356) 9.800 7.668 ( -0.832 -0.000 1.768) 1.954 7.840 ( -4.827 -0.000 -2.124) 5.274 7.888 ( 1.213 0.000 -2.710) 2.969 7.979 ( -0.986 -0.000 -0.290) 1.028 8.360 ( -4.505 -0.000 0.264) 4.512 8.384 ( -3.020 -0.000 0.573) 3.074 8.603 ( -5.842 -0.000 -0.196) 5.845 8.950 ( 0.059 0.000 3.362) 3.363 9.055 ( -2.791 -0.000 -2.343) 3.644 9.056 ( 4.282 0.000 2.120) 4.778 9.155 ( 0.202 0.000 -1.558) 1.571 9.167 ( 1.857 0.000 -0.482) 1.919 9.515 ( 5.252 0.000 0.447) 5.271 9.520 ( 6.104 0.000 0.204) 6.107 9.618 ( 3.001 0.000 0.041) 3.002 9.643 ( 3.021 0.000 -0.543) 3.070 9.810 ( -0.632 -0.000 0.683) 0.931 9.943 ( 1.572 0.000 -0.476) 1.643 10.098 ( -0.554 -0.000 0.493) 0.742 10.106 ( -0.877 -0.000 0.052) 0.879 10.151 ( -0.344 -0.000 -0.354) 0.493 10.165 ( 0.161 0.000 -0.119) 0.200 11.767 ( 2.892 0.000 0.569) 2.948 12.156 ( 12.138 0.000 -0.180) 12.139 15.488 ( 2.816 0.000 -0.208) 2.824 15.488 ( 4.950 0.000 2.976) 5.775 15.531 ( 1.858 0.000 0.865) 2.049 15.636 ( 2.817 0.000 -1.290) 3.098 16.301 ( -3.613 -0.000 1.762) 4.020 16.349 ( -5.546 -0.000 -3.765) 6.703 ======================= Grid point 144 (66/115) ======================= q-point: (-0.22 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -11.964 -3.590 1.098) 12.539 1.042 ( -9.075 -4.011 0.546) 9.937 1.129 ( 1.251 1.552 -0.271) 2.012 1.173 ( 0.977 -0.062 -0.274) 1.017 1.251 ( 2.309 -0.675 0.522) 2.462 1.306 ( 0.507 -1.669 -0.582) 1.839 1.421 ( -0.012 1.007 1.206) 1.571 1.485 ( -0.212 -1.911 0.318) 1.948 1.615 ( -0.929 -0.410 0.287) 1.055 1.726 ( -0.228 0.738 0.011) 0.772 1.765 ( 0.904 1.368 0.159) 1.648 1.782 ( 1.417 0.207 -0.120) 1.437 1.890 ( 1.624 1.095 0.750) 2.097 1.992 ( 1.457 -1.040 0.422) 1.839 2.110 ( -0.295 -3.526 -3.132) 4.725 2.213 ( 1.913 1.746 -0.175) 2.595 2.249 ( -13.448 -4.863 0.507) 14.309 2.300 ( -6.172 -3.479 1.020) 7.158 2.312 ( -6.602 -2.789 1.177) 7.263 2.369 ( -2.245 -2.597 0.987) 3.571 2.445 ( -3.291 -0.076 -1.023) 3.448 2.554 ( 0.047 -1.218 0.835) 1.478 2.723 ( -1.815 -0.756 -1.715) 2.609 2.744 ( -0.790 -0.510 1.270) 1.580 2.850 ( 0.506 0.058 -0.239) 0.563 2.889 ( -0.794 -2.595 -0.139) 2.718 3.077 ( -1.883 2.270 0.236) 2.958 3.255 ( -1.362 2.949 0.490) 3.285 3.333 ( -6.432 -2.295 0.992) 6.901 3.514 ( -6.335 -2.464 -1.695) 7.005 3.551 ( -2.448 -2.566 0.029) 3.547 3.678 ( -0.011 0.025 0.317) 0.318 3.705 ( -0.217 -0.628 -0.326) 0.740 3.758 ( -0.778 -0.575 0.865) 1.297 3.854 ( 0.772 0.548 -0.965) 1.352 4.048 ( -6.422 -2.402 -2.041) 7.154 4.246 ( -0.800 -2.586 -1.253) 2.983 4.294 ( 1.266 -2.059 0.999) 2.615 4.403 ( -4.234 1.386 2.243) 4.988 4.505 ( -3.035 0.726 -1.178) 3.336 4.617 ( 5.400 2.714 1.002) 6.127 4.955 ( 4.571 1.773 -0.324) 4.913 5.498 ( -3.086 -0.982 0.941) 3.373 5.833 ( -3.683 -5.900 0.632) 6.984 5.966 ( -2.156 -6.134 -1.466) 6.665 6.083 ( 1.627 0.270 4.416) 4.714 6.124 ( -12.968 -0.926 -0.843) 13.028 6.369 ( -6.192 2.535 -4.168) 7.883 7.681 ( -0.811 -1.734 1.476) 2.418 7.792 ( -4.941 -0.941 -1.062) 5.141 7.891 ( 2.068 0.368 -1.876) 2.816 7.979 ( -1.073 -0.820 0.252) 1.374 8.326 ( -3.946 -1.097 0.158) 4.099 8.367 ( -3.367 -1.459 0.083) 3.671 8.565 ( -4.114 -1.167 0.389) 4.294 8.959 ( -0.492 -0.161 1.943) 2.010 9.023 ( -2.595 -0.348 -1.359) 2.950 9.097 ( 3.981 0.823 1.512) 4.338 9.137 ( 0.496 1.387 -1.744) 2.282 9.179 ( 0.298 -0.007 -0.615) 0.683 9.550 ( 5.463 2.008 0.255) 5.826 9.576 ( 5.722 0.940 0.175) 5.801 9.632 ( 3.591 2.075 0.008) 4.147 9.653 ( 3.026 2.124 -0.322) 3.711 9.809 ( -0.578 -0.095 0.597) 0.837 9.951 ( 1.480 0.670 -0.290) 1.650 10.077 ( -0.439 0.722 0.225) 0.875 10.119 ( -0.887 -1.292 0.083) 1.570 10.127 ( -0.199 1.074 -0.083) 1.096 10.183 ( -0.527 -1.131 -0.178) 1.260 11.788 ( 3.676 1.754 0.734) 4.138 12.234 ( 12.092 4.720 -0.587) 12.993 15.495 ( 2.799 1.980 1.369) 3.692 15.514 ( 3.327 2.241 0.231) 4.018 15.575 ( 2.924 -1.097 0.704) 3.201 15.684 ( 3.329 -1.989 -0.886) 3.978 16.257 ( -4.570 0.892 1.105) 4.786 16.289 ( -4.434 -0.491 -2.254) 4.998 ======================= Grid point 145 (67/115) ======================= q-point: (-0.11 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -8.524 -9.111 0.741) 12.498 1.066 ( -4.933 -6.068 1.094) 7.897 1.114 ( 1.332 1.340 -0.715) 2.021 1.173 ( 0.534 0.867 0.112) 1.024 1.252 ( -0.935 1.549 0.572) 1.897 1.315 ( -0.495 0.849 0.439) 1.076 1.400 ( 0.460 0.969 -0.593) 1.226 1.484 ( -2.011 0.671 -1.490) 2.592 1.617 ( -0.885 -0.560 0.473) 1.149 1.728 ( 0.226 -0.790 -0.671) 1.061 1.763 ( 1.554 0.359 0.245) 1.614 1.781 ( 1.088 1.120 -0.706) 1.713 1.896 ( 2.586 0.731 -0.433) 2.722 1.987 ( -0.642 2.297 -0.452) 2.428 2.126 ( -2.543 -0.152 1.938) 3.201 2.206 ( 1.824 0.666 -1.571) 2.498 2.256 ( -11.776 -11.375 0.456) 16.379 2.288 ( -5.399 -1.831 -1.013) 5.791 2.325 ( -5.051 -4.078 0.663) 6.526 2.374 ( -3.183 -0.505 1.310) 3.479 2.441 ( -1.772 -2.523 0.069) 3.084 2.563 ( -0.751 -0.158 -1.089) 1.332 2.727 ( 0.324 -0.065 -1.696) 1.728 2.755 ( -1.637 -2.657 1.016) 3.282 2.849 ( 1.185 0.725 -1.863) 2.324 2.908 ( -3.678 -1.522 2.575) 4.741 3.087 ( 2.468 -3.441 0.047) 4.234 3.258 ( 2.072 -2.715 0.170) 3.420 3.327 ( -5.417 -4.051 0.395) 6.776 3.525 ( -4.928 -5.021 0.615) 7.062 3.561 ( -3.571 -2.183 0.018) 4.185 3.677 ( -0.494 -0.397 -1.127) 1.293 3.714 ( -0.188 -0.540 0.663) 0.875 3.758 ( -1.393 -0.629 -0.309) 1.559 3.854 ( 1.075 0.540 0.193) 1.218 4.048 ( -5.021 -4.903 -1.362) 7.149 4.261 ( -1.824 -0.600 -0.093) 1.922 4.299 ( -2.311 1.554 -0.060) 2.785 4.375 ( -1.418 -1.883 -0.528) 2.416 4.490 ( -1.051 -1.730 0.090) 2.026 4.612 ( 4.889 4.326 1.503) 6.699 4.954 ( 3.793 3.016 -0.407) 4.863 5.501 ( -2.165 -2.078 0.462) 3.036 5.867 ( -5.875 -2.749 -1.842) 6.743 6.056 ( -3.264 -4.253 1.030) 5.459 6.079 ( -5.399 -4.212 -1.142) 6.942 6.105 ( -5.376 -7.791 2.269) 9.734 6.296 ( 0.457 0.686 -1.205) 1.460 7.706 ( -1.195 -1.655 -0.020) 2.041 7.785 ( -3.360 -3.303 1.096) 4.838 7.910 ( 2.442 -0.444 -0.180) 2.489 7.979 ( -1.713 -0.428 0.609) 1.868 8.329 ( -2.688 -3.165 -0.042) 4.153 8.370 ( -2.694 -2.458 -0.389) 3.668 8.566 ( -2.999 -2.732 0.901) 4.156 8.955 ( -0.770 0.032 -1.121) 1.360 9.017 ( -1.497 -1.277 1.274) 2.344 9.092 ( 2.047 3.013 -2.516) 4.427 9.131 ( 1.764 0.417 0.735) 1.956 9.170 ( -0.430 0.767 -0.167) 0.895 9.552 ( 4.462 3.599 0.180) 5.735 9.584 ( 3.311 3.451 -0.060) 4.783 9.623 ( 4.005 3.539 -0.139) 5.347 9.635 ( 2.705 3.025 0.003) 4.059 9.803 ( -0.809 0.190 0.524) 0.983 9.947 ( 1.157 1.334 0.030) 1.766 10.073 ( 0.161 -0.308 -0.031) 0.349 10.114 ( -0.653 0.030 0.066) 0.657 10.135 ( 0.192 -1.168 -0.052) 1.184 10.184 ( -1.252 -0.170 -0.046) 1.265 11.781 ( 3.185 3.311 0.875) 4.676 12.222 ( 9.844 8.983 -1.177) 13.379 15.474 ( 1.224 3.582 1.395) 4.034 15.508 ( 3.403 2.629 0.606) 4.343 15.589 ( 0.277 1.414 -0.801) 1.649 15.724 ( 1.547 0.927 0.514) 1.875 16.220 ( -2.906 -1.861 -1.298) 3.687 16.290 ( -0.977 -3.545 -0.139) 3.680 ======================= Grid point 153 (68/115) ======================= q-point: (-0.22 -0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -17.295 -0.000 4.560) 17.886 0.847 ( -17.189 -0.000 3.374) 17.517 1.178 ( 1.116 0.000 0.294) 1.154 1.206 ( 5.063 0.000 -0.625) 5.102 1.265 ( 2.295 0.000 0.812) 2.435 1.285 ( -0.442 -0.000 -1.054) 1.143 1.441 ( -0.132 -0.000 1.078) 1.086 1.470 ( 1.415 0.000 -1.371) 1.970 1.574 ( -8.458 -0.000 2.111) 8.718 1.723 ( -1.856 -0.000 0.193) 1.866 1.764 ( -5.287 -0.000 2.481) 5.840 1.803 ( 2.073 0.000 0.035) 2.073 1.914 ( 1.022 0.000 0.719) 1.250 1.954 ( -7.085 -0.000 -1.799) 7.310 2.048 ( -0.903 -0.000 -1.414) 1.678 2.082 ( -4.283 -0.000 -2.896) 5.170 2.230 ( -2.269 -0.000 -2.782) 3.590 2.232 ( -1.924 -0.000 1.920) 2.718 2.262 ( -3.778 -0.000 5.010) 6.275 2.333 ( -1.474 -0.000 0.708) 1.635 2.400 ( -4.447 -0.000 -1.592) 4.723 2.552 ( 0.292 0.000 0.921) 0.967 2.672 ( -4.695 -0.000 -0.970) 4.795 2.732 ( -1.735 -0.000 -0.365) 1.774 2.841 ( 0.068 0.000 -0.403) 0.408 2.904 ( 2.820 0.000 2.380) 3.690 3.059 ( -3.695 -0.000 -1.735) 4.082 3.250 ( -3.370 -0.000 0.269) 3.380 3.288 ( -2.807 -0.000 2.465) 3.735 3.420 ( -6.352 -0.000 -2.010) 6.662 3.498 ( -3.802 -0.000 -0.227) 3.809 3.685 ( 0.244 0.000 1.035) 1.064 3.699 ( 0.377 0.000 -0.920) 0.994 3.750 ( -0.217 -0.000 1.182) 1.202 3.864 ( 1.170 0.000 -2.524) 2.782 3.963 ( -4.557 -0.000 -3.218) 5.579 4.213 ( -0.646 -0.000 -1.374) 1.518 4.292 ( 0.042 0.000 1.838) 1.838 4.384 ( -3.344 -0.000 2.192) 3.998 4.464 ( -4.429 -0.000 -1.757) 4.764 4.704 ( 5.997 0.000 1.804) 6.262 5.002 ( 2.854 0.000 -0.552) 2.907 5.471 ( -1.747 -0.000 1.669) 2.417 5.749 ( -3.444 -0.000 1.052) 3.601 5.882 ( -2.570 -0.000 -1.588) 3.021 5.981 ( -13.076 -0.000 -0.279) 13.079 6.073 ( -7.501 -0.000 2.289) 7.842 6.355 ( 2.109 0.000 -4.942) 5.373 7.664 ( -0.803 -0.000 1.949) 2.108 7.736 ( -4.422 -0.000 -0.548) 4.456 7.904 ( 1.920 0.000 -2.994) 3.557 7.967 ( -0.555 -0.000 0.721) 0.910 8.274 ( -4.273 -0.000 0.169) 4.276 8.319 ( -3.623 -0.000 -0.242) 3.631 8.532 ( -2.061 -0.000 1.778) 2.722 8.961 ( -0.699 -0.000 2.693) 2.783 8.986 ( -2.705 -0.000 -1.407) 3.049 9.140 ( -0.354 -0.000 -1.784) 1.819 9.140 ( 2.622 0.000 0.996) 2.805 9.180 ( 0.711 0.000 -2.074) 2.193 9.624 ( 5.466 0.000 0.441) 5.484 9.643 ( 6.079 0.000 0.020) 6.079 9.684 ( 3.465 0.000 0.435) 3.492 9.702 ( 3.287 0.000 -0.385) 3.309 9.809 ( -0.057 -0.000 0.912) 0.914 9.970 ( 1.484 0.000 -0.431) 1.545 10.086 ( -1.033 -0.000 0.430) 1.119 10.086 ( -1.221 -0.000 0.267) 1.250 10.138 ( -0.693 -0.000 -0.448) 0.826 10.162 ( -0.309 -0.000 -0.298) 0.429 11.849 ( 4.486 0.000 1.877) 4.863 12.390 ( 11.992 0.000 -1.522) 12.088 15.546 ( 3.252 0.000 -0.066) 3.253 15.580 ( 2.708 0.000 0.272) 2.721 15.582 ( 2.645 0.000 1.088) 2.860 15.686 ( 3.075 0.000 -1.376) 3.369 16.230 ( -5.036 -0.000 2.094) 5.454 16.236 ( -3.546 -0.000 -1.804) 3.979 ======================= Grid point 154 (69/115) ======================= q-point: (-0.11 -0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -15.155 -8.526 7.164) 18.807 0.812 ( -15.559 -10.915 2.980) 19.237 1.166 ( 0.355 1.103 -0.332) 1.205 1.229 ( 4.644 2.345 0.042) 5.202 1.281 ( -0.637 0.653 0.033) 0.913 1.297 ( -0.684 -1.863 -0.609) 2.076 1.418 ( -5.861 -2.187 1.313) 6.392 1.484 ( 0.011 -0.306 -1.184) 1.223 1.517 ( -8.933 -4.493 2.461) 10.298 1.705 ( -1.095 -0.511 0.269) 1.237 1.738 ( -5.350 -2.504 2.419) 6.383 1.809 ( 1.869 1.442 -0.707) 2.464 1.918 ( 0.877 -0.383 -0.155) 0.969 1.941 ( -3.316 -2.742 1.834) 4.678 2.049 ( 1.318 0.539 0.145) 1.431 2.088 ( -0.326 -2.732 -2.883) 3.985 2.188 ( -4.232 -0.381 -3.136) 5.281 2.236 ( -1.910 -0.792 1.963) 2.851 2.255 ( -3.167 -1.318 3.084) 4.613 2.334 ( -1.997 -1.492 1.399) 2.859 2.376 ( -2.972 -2.358 -0.231) 3.801 2.556 ( -0.147 -0.137 -0.249) 0.320 2.652 ( -4.033 -3.648 -0.377) 5.451 2.719 ( -1.883 -1.154 -1.318) 2.572 2.856 ( -0.339 -1.341 1.040) 1.731 2.906 ( 1.860 2.838 -0.357) 3.412 3.051 ( -1.167 -2.885 0.590) 3.168 3.231 ( -1.165 -0.795 0.281) 1.438 3.266 ( -2.017 -0.137 0.432) 2.068 3.398 ( -4.432 -3.751 0.620) 5.839 3.475 ( -5.550 -2.873 -1.976) 6.554 3.677 ( 0.523 1.094 -0.930) 1.528 3.710 ( 0.419 -0.479 0.835) 1.050 3.746 ( -0.812 0.786 -0.761) 1.362 3.866 ( 1.373 -0.491 -1.913) 2.405 3.943 ( -2.233 -2.192 -2.874) 4.248 4.220 ( -1.094 -2.042 -0.630) 2.400 4.284 ( -3.371 0.053 1.858) 3.849 4.360 ( -0.808 0.846 -0.229) 1.192 4.436 ( -2.792 -1.848 -0.680) 3.417 4.736 ( 5.021 3.240 2.276) 6.395 5.012 ( 1.898 1.121 -0.866) 2.369 5.473 ( -0.483 -0.457 2.677) 2.758 5.760 ( -4.000 -3.466 0.045) 5.292 5.890 ( -7.661 -5.441 0.926) 9.442 5.921 ( -3.872 -5.777 -0.486) 6.972 5.995 ( -9.315 -1.283 -0.365) 9.410 6.354 ( 4.502 2.435 -5.325) 7.386 7.674 ( -1.022 -1.042 1.247) 1.919 7.713 ( -3.003 -1.956 1.032) 3.729 7.916 ( 1.822 -0.584 -2.510) 3.156 7.964 ( -0.885 -0.055 0.151) 0.899 8.254 ( -3.221 -2.043 0.157) 3.817 8.302 ( -2.898 -1.960 -0.416) 3.524 8.530 ( -0.951 -0.428 3.027) 3.201 8.949 ( -1.104 0.525 -0.010) 1.222 8.982 ( -1.515 -1.514 1.934) 2.886 9.127 ( 0.400 0.867 -2.620) 2.789 9.150 ( 0.477 0.460 -0.610) 0.901 9.176 ( 0.806 0.495 -1.761) 1.999 9.652 ( 4.584 2.677 0.584) 5.340 9.671 ( 3.858 2.651 0.202) 4.685 9.707 ( 3.293 1.867 0.129) 3.788 9.710 ( 3.321 2.260 -0.069) 4.017 9.808 ( -0.153 0.549 1.084) 1.224 9.975 ( 1.168 0.791 -0.376) 1.460 10.069 ( -0.523 0.000 0.314) 0.610 10.093 ( -1.567 -0.969 0.345) 1.875 10.128 ( 0.236 -0.262 -0.444) 0.567 10.164 ( -1.194 -0.578 -0.498) 1.417 11.876 ( 4.003 2.695 2.898) 5.628 12.439 ( 9.648 5.906 -2.626) 11.613 15.548 ( 1.653 2.826 1.519) 3.609 15.581 ( 3.473 1.772 -0.016) 3.899 15.609 ( 0.595 0.735 -0.015) 0.946 15.733 ( 2.182 -1.608 -0.902) 2.857 16.173 ( -4.388 0.489 0.160) 4.418 16.227 ( -1.034 -2.477 -0.591) 2.748 ======================= Grid point 163 (70/115) ======================= q-point: (-0.11 -0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( -17.246 -0.000 13.683) 22.015 0.532 ( -19.189 -0.000 11.078) 22.157 1.013 ( -33.676 -0.000 17.178) 37.804 1.195 ( -2.743 -0.000 -2.026) 3.410 1.217 ( -3.862 -0.000 -2.656) 4.687 1.307 ( 3.898 0.000 0.459) 3.925 1.339 ( 0.824 0.000 2.034) 2.195 1.492 ( 2.271 0.000 -2.710) 3.536 1.514 ( 1.946 0.000 -0.472) 2.003 1.694 ( -1.186 -0.000 0.606) 1.332 1.718 ( 1.327 0.000 6.315) 6.453 1.856 ( 3.082 0.000 0.117) 3.084 1.907 ( 0.985 0.000 -2.000) 2.230 1.934 ( 0.387 0.000 0.565) 0.685 2.046 ( 1.219 0.000 -3.921) 4.106 2.090 ( 2.622 0.000 1.141) 2.860 2.126 ( -5.644 -0.000 -2.581) 6.206 2.222 ( -1.226 -0.000 2.899) 3.147 2.231 ( -2.431 -0.000 3.762) 4.480 2.313 ( -1.419 -0.000 1.578) 2.123 2.320 ( -2.584 -0.000 -0.082) 2.586 2.550 ( -0.530 -0.000 -0.453) 0.697 2.570 ( -4.959 -0.000 0.001) 4.959 2.677 ( -2.322 -0.000 -2.776) 3.619 2.847 ( -0.117 -0.000 1.699) 1.703 2.970 ( 2.300 0.000 1.590) 2.796 2.994 ( -1.368 -0.000 -0.924) 1.651 3.209 ( -1.636 -0.000 -2.203) 2.744 3.239 ( -2.853 -0.000 -0.083) 2.855 3.357 ( -0.353 -0.000 3.469) 3.487 3.377 ( -6.036 -0.000 -4.378) 7.456 3.700 ( 0.273 0.000 0.675) 0.728 3.703 ( 0.457 0.000 -0.501) 0.679 3.762 ( 0.625 0.000 -0.053) 0.627 3.841 ( -1.626 -0.000 -6.832) 7.023 3.907 ( 0.385 0.000 -3.301) 3.323 4.187 ( -1.254 -0.000 0.186) 1.268 4.255 ( -4.419 -0.000 2.307) 4.985 4.369 ( -0.017 -0.000 -0.277) 0.278 4.384 ( -2.390 -0.000 -1.735) 2.953 4.815 ( 3.756 0.000 2.502) 4.513 5.032 ( 1.165 0.000 -0.475) 1.258 5.489 ( 1.604 0.000 4.875) 5.133 5.698 ( -2.412 -0.000 1.151) 2.673 5.770 ( -7.907 -0.000 0.583) 7.928 5.839 ( -1.844 -0.000 -1.308) 2.261 5.894 ( -8.295 -0.000 -0.633) 8.319 6.393 ( 3.737 0.000 -8.733) 9.499 7.664 ( -0.730 -0.000 2.314) 2.427 7.673 ( -2.215 -0.000 1.003) 2.432 7.916 ( 1.538 0.000 -3.409) 3.739 7.954 ( -0.970 -0.000 -1.148) 1.503 8.210 ( -2.358 -0.000 0.269) 2.373 8.259 ( -2.134 -0.000 -0.494) 2.190 8.539 ( 0.072 0.000 4.998) 4.999 8.945 ( -1.147 -0.000 0.721) 1.355 8.963 ( -0.996 -0.000 2.623) 2.806 9.125 ( 0.041 0.000 -1.703) 1.703 9.149 ( -0.537 -0.000 -2.260) 2.323 9.183 ( 1.063 0.000 -3.758) 3.906 9.719 ( 3.706 0.000 0.770) 3.786 9.736 ( 3.354 0.000 0.045) 3.354 9.747 ( 2.398 0.000 1.523) 2.841 9.758 ( 2.555 0.000 -0.262) 2.568 9.817 ( -0.005 -0.000 0.788) 0.789 9.991 ( 0.926 0.000 -0.630) 1.120 10.065 ( -1.142 -0.000 0.492) 1.244 10.068 ( -0.907 -0.000 0.456) 1.015 10.120 ( -0.724 -0.000 -0.591) 0.935 10.145 ( -1.096 -0.000 -1.199) 1.624 11.950 ( 3.364 0.000 4.720) 5.796 12.561 ( 7.272 0.000 -4.040) 8.319 15.600 ( 1.538 0.000 1.441) 2.108 15.602 ( -0.210 -0.000 0.380) 0.434 15.646 ( 4.605 0.000 1.362) 4.802 15.728 ( 2.196 0.000 -1.482) 2.649 16.134 ( -6.095 -0.000 -0.626) 6.127 16.194 ( -0.469 -0.000 -0.878) 0.995 ======================= Grid point 164 (71/115) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -2.498 -0.000 17.008) 17.191 0.732 ( 1.604 0.000 16.780) 16.856 0.989 ( -0.435 -0.000 -11.058) 11.066 0.993 ( 1.041 0.000 -11.476) 11.523 1.386 ( -1.055 -0.000 2.166) 2.409 1.401 ( 1.685 0.000 2.221) 2.788 1.440 ( 1.177 0.000 -3.494) 3.687 1.452 ( -1.410 -0.000 -2.408) 2.790 1.521 ( -0.448 -0.000 23.954) 23.958 1.706 ( 0.037 0.000 -0.631) 0.632 1.843 ( 0.085 0.000 0.398) 0.407 1.893 ( 1.033 0.000 -2.841) 3.023 1.918 ( 1.144 0.000 1.780) 2.116 1.931 ( -3.143 -0.000 1.465) 3.468 1.962 ( -0.458 -0.000 -2.864) 2.901 1.972 ( 1.429 0.000 -2.734) 3.085 2.217 ( -0.286 -0.000 7.161) 7.167 2.290 ( -0.881 -0.000 2.858) 2.991 2.290 ( 1.867 0.000 2.833) 3.393 2.324 ( -1.031 -0.000 -0.256) 1.063 2.325 ( 0.614 0.000 -0.376) 0.720 2.422 ( -0.009 -0.000 -12.566) 12.566 2.531 ( 0.183 0.000 0.757) 0.779 2.548 ( -0.113 -0.000 -1.267) 1.272 2.945 ( -0.717 -0.000 6.215) 6.256 3.032 ( -1.245 -0.000 2.704) 2.977 3.047 ( 2.812 0.000 3.390) 4.404 3.094 ( -1.324 -0.000 -8.886) 8.984 3.110 ( 2.705 0.000 -4.053) 4.873 3.123 ( -2.366 -0.000 -4.326) 4.931 3.566 ( -0.032 -0.000 10.599) 10.599 3.707 ( -1.189 -0.000 0.783) 1.424 3.714 ( 1.029 0.000 0.858) 1.340 3.727 ( 1.663 0.000 -1.301) 2.112 3.734 ( -1.576 -0.000 -1.327) 2.060 3.755 ( 0.216 0.000 -9.404) 9.406 4.249 ( 1.569 0.000 3.495) 3.831 4.255 ( -1.928 -0.000 3.423) 3.928 4.311 ( -1.292 -0.000 -3.058) 3.319 4.314 ( 1.527 0.000 -2.957) 3.328 4.938 ( -0.004 -0.000 3.925) 3.925 5.003 ( -0.066 -0.000 -3.077) 3.077 5.709 ( -0.204 -0.000 1.771) 1.782 5.712 ( -0.163 -0.000 1.644) 1.652 5.749 ( 1.286 0.000 8.427) 8.525 5.770 ( -0.964 -0.000 -1.581) 1.851 5.792 ( 0.158 0.000 2.945) 2.949 6.053 ( -0.136 -0.000 -17.521) 17.521 7.736 ( -1.126 -0.000 4.672) 4.805 7.736 ( 1.079 0.000 4.654) 4.777 7.830 ( -0.699 0.000 -5.293) 5.339 7.830 ( 0.729 0.000 -5.295) 5.345 8.202 ( 0.060 0.000 0.807) 0.809 8.219 ( -0.041 -0.000 -0.949) 0.950 8.767 ( 0.043 0.000 11.240) 11.241 8.973 ( 0.055 0.000 -11.047) 11.047 9.019 ( -1.472 -0.000 3.577) 3.868 9.019 ( 1.599 0.000 3.677) 4.010 9.080 ( 1.267 0.000 -2.886) 3.152 9.082 ( -1.459 -0.000 -2.967) 3.307 9.765 ( -0.013 -0.000 0.505) 0.506 9.774 ( -0.117 -0.000 -0.340) 0.360 9.778 ( 0.285 0.000 0.317) 0.426 9.788 ( -0.234 -0.000 -0.538) 0.587 9.893 ( 0.184 0.000 4.234) 4.238 9.957 ( -0.147 -0.000 -2.773) 2.777 10.072 ( -0.225 -0.000 1.100) 1.123 10.079 ( 0.089 0.000 1.070) 1.073 10.093 ( 0.271 0.000 -1.095) 1.128 10.100 ( -0.118 -0.000 -1.095) 1.102 12.210 ( 0.088 0.000 11.845) 11.845 12.427 ( -0.098 -0.000 -11.363) 11.364 15.648 ( 1.018 0.000 2.352) 2.563 15.653 ( -0.974 -0.000 2.122) 2.335 15.705 ( -0.860 -0.000 -2.257) 2.415 15.708 ( 0.673 0.000 -2.253) 2.352 16.076 ( 0.463 0.000 3.295) 3.327 16.136 ( -0.318 -0.000 -3.074) 3.091 ======================= Grid point 165 (72/115) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 7.084 -6.512 12.024) 15.401 0.923 ( 1.938 -11.298 9.748) 15.047 1.020 ( 4.305 -6.891 -8.519) 11.772 1.089 ( 4.153 -9.621 -8.091) 13.239 1.336 ( -2.815 4.391 1.352) 5.389 1.381 ( -1.630 2.980 -2.362) 4.138 1.389 ( -0.640 2.899 2.985) 4.210 1.422 ( -1.076 1.738 -2.647) 3.345 1.644 ( 1.576 -2.659 8.943) 9.462 1.705 ( 0.544 -0.234 -1.597) 1.704 1.827 ( -0.737 0.387 1.103) 1.382 1.842 ( -0.996 1.972 -1.882) 2.902 1.914 ( -0.321 0.561 1.089) 1.266 1.958 ( 1.055 -1.220 1.670) 2.322 1.983 ( 2.083 -2.777 1.256) 3.691 2.041 ( 1.845 -4.289 -2.060) 5.103 2.196 ( -0.848 1.784 8.523) 8.749 2.289 ( -0.854 0.786 -4.613) 4.756 2.304 ( 0.353 0.172 -0.153) 0.422 2.329 ( 1.065 -1.237 1.338) 2.110 2.355 ( 1.213 -3.321 3.556) 5.015 2.448 ( 2.326 -4.554 -8.045) 9.532 2.578 ( 1.572 -3.259 -0.119) 3.621 2.589 ( 1.866 -4.008 -0.581) 4.459 2.916 ( -2.458 3.081 2.767) 4.816 3.002 ( -0.696 1.525 -2.413) 2.938 3.027 ( 0.549 -0.104 3.096) 3.146 3.134 ( 3.021 -4.261 -0.186) 5.227 3.174 ( 1.815 -4.853 -3.695) 6.363 3.221 ( 4.704 -8.793 -2.365) 10.249 3.558 ( -1.433 2.720 8.007) 8.577 3.650 ( -1.384 3.849 -6.600) 7.765 3.694 ( -0.780 0.338 0.351) 0.920 3.743 ( 3.312 -0.046 -0.003) 3.312 3.751 ( -1.177 -2.961 0.104) 3.188 3.791 ( 0.956 -2.547 -2.345) 3.592 4.238 ( -0.737 1.160 2.540) 2.888 4.306 ( -0.951 -2.481 -0.284) 2.672 4.311 ( 2.812 -1.112 -1.420) 3.341 4.340 ( 2.178 -2.490 -0.597) 3.362 4.923 ( -1.376 2.348 4.264) 5.058 4.968 ( -1.241 2.008 -3.610) 4.313 5.710 ( -0.862 -0.104 5.741) 5.806 5.753 ( 1.419 -2.426 -1.826) 3.352 5.800 ( 2.479 -4.051 3.566) 5.939 5.836 ( 1.928 -4.702 0.397) 5.097 5.858 ( 1.741 -4.347 3.878) 6.080 5.996 ( 1.767 -0.716 -14.073) 14.202 7.755 ( -0.205 -1.578 4.315) 4.599 7.777 ( 1.384 -1.042 4.681) 4.992 7.798 ( -0.321 0.323 -4.497) 4.520 7.849 ( 1.241 -2.290 -5.023) 5.658 8.230 ( 1.146 -2.314 0.782) 2.698 8.239 ( 1.040 -2.193 -0.893) 2.586 8.790 ( -0.676 1.256 10.809) 10.903 8.914 ( -1.113 1.632 -10.617) 10.799 9.018 ( -0.326 0.022 3.469) 3.484 9.054 ( -0.029 0.363 -2.702) 2.726 9.062 ( 1.171 -1.043 2.591) 3.029 9.097 ( 1.084 -1.092 -2.798) 3.193 9.729 ( -1.584 3.247 0.376) 3.632 9.734 ( -1.644 3.215 -0.295) 3.623 9.752 ( -1.474 2.620 0.279) 3.019 9.757 ( -1.516 2.404 -0.364) 2.865 9.902 ( 0.008 0.660 3.783) 3.840 9.937 ( -0.417 0.956 -2.938) 3.117 10.083 ( 0.197 -0.806 1.015) 1.311 10.095 ( 0.681 -0.622 0.640) 1.122 10.103 ( 0.412 -1.234 -0.745) 1.500 10.108 ( 0.612 -0.880 -1.019) 1.479 12.199 ( -2.446 4.610 11.348) 12.490 12.326 ( -3.073 5.462 -11.116) 12.761 15.605 ( -2.137 3.111 2.111) 4.324 15.641 ( -1.562 2.888 -1.187) 3.491 15.678 ( -0.803 1.265 0.562) 1.600 15.699 ( 0.253 0.807 -0.347) 0.914 16.138 ( 2.392 -3.982 1.540) 4.894 16.148 ( 1.055 -2.318 -2.619) 3.653 ======================= Grid point 166 (73/115) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 3.259 -3.822 -0.079) 5.024 1.087 ( 2.605 -5.260 2.708) 6.464 1.205 ( 0.155 -1.431 1.676) 2.209 1.218 ( 0.939 -1.477 0.533) 1.830 1.261 ( 2.449 -5.842 -3.646) 7.309 1.315 ( -2.218 1.456 -0.323) 2.673 1.341 ( 1.493 2.589 -0.254) 2.999 1.377 ( -0.991 0.639 -0.505) 1.283 1.663 ( -0.466 0.941 1.391) 1.743 1.709 ( 0.420 -0.138 -2.515) 2.554 1.792 ( -1.419 1.367 -0.843) 2.143 1.818 ( -0.462 1.401 -0.095) 1.478 1.907 ( 0.613 0.465 -0.853) 1.149 2.000 ( 1.898 -1.357 2.676) 3.551 2.034 ( -2.269 3.492 -2.910) 5.080 2.058 ( 0.113 -0.925 1.058) 1.410 2.258 ( 1.352 -3.584 2.882) 4.794 2.308 ( 1.979 -3.326 -2.520) 4.619 2.333 ( 1.699 -2.965 2.262) 4.098 2.375 ( 2.075 -2.760 -0.580) 3.502 2.446 ( 1.590 -4.220 5.484) 7.100 2.522 ( 1.857 -4.092 -5.704) 7.262 2.629 ( 0.551 -1.039 -0.861) 1.457 2.686 ( 2.188 -4.766 0.827) 5.309 2.838 ( -2.535 3.495 -0.141) 4.320 2.993 ( 0.833 -1.255 -1.091) 1.860 3.088 ( 2.469 -4.066 2.895) 5.568 3.258 ( 2.420 -4.132 -4.236) 6.394 3.307 ( 4.765 -9.902 4.416) 11.843 3.413 ( 3.656 -8.981 -2.518) 10.018 3.539 ( 0.553 0.747 4.200) 4.302 3.580 ( 0.488 -0.427 -5.544) 5.582 3.690 ( -0.054 -0.080 0.326) 0.340 3.761 ( 1.313 0.162 -0.260) 1.348 3.798 ( 0.632 -2.356 1.779) 3.018 3.828 ( 0.745 -1.522 0.002) 1.695 4.213 ( -1.187 1.438 1.224) 2.230 4.314 ( -0.466 0.008 -0.848) 0.968 4.365 ( 2.463 -2.936 -2.472) 4.561 4.425 ( 2.248 -3.735 1.753) 4.699 4.874 ( -1.935 3.248 5.002) 6.270 4.889 ( -2.281 3.797 -4.804) 6.534 5.732 ( -0.481 -0.647 7.085) 7.130 5.792 ( -3.056 -1.865 -6.701) 7.597 5.837 ( 3.496 1.005 -6.984) 7.874 5.935 ( 5.180 -5.057 4.250) 8.395 6.009 ( 2.848 -9.150 5.771) 11.186 6.130 ( 6.476 -11.621 -3.531) 13.765 7.773 ( -0.157 0.008 -3.736) 3.739 7.815 ( 0.077 -3.437 3.738) 5.079 7.831 ( 2.339 -1.235 4.765) 5.450 7.892 ( 1.450 -3.041 -3.960) 5.199 8.296 ( 1.632 -3.626 -0.421) 3.998 8.305 ( 2.022 -3.941 0.278) 4.438 8.794 ( -0.623 1.223 9.060) 9.164 8.839 ( -1.169 1.619 -9.713) 9.916 9.026 ( -0.134 0.156 0.100) 0.228 9.041 ( 0.013 -0.114 -0.167) 0.202 9.100 ( 1.138 -0.603 1.939) 2.328 9.114 ( 1.019 -0.688 -1.586) 2.006 9.640 ( -2.647 4.775 -0.092) 5.460 9.645 ( -2.435 4.852 0.071) 5.430 9.675 ( -2.175 4.147 -0.253) 4.689 9.685 ( -2.217 3.798 0.185) 4.402 9.897 ( -0.419 1.150 0.918) 1.530 9.903 ( -0.345 1.271 -0.575) 1.437 10.101 ( 0.056 -0.369 -0.078) 0.381 10.106 ( -0.043 -0.656 -0.026) 0.658 10.129 ( 0.994 -0.940 -0.237) 1.389 10.132 ( 0.707 -1.384 0.271) 1.578 12.097 ( -4.172 7.540 8.792) 12.311 12.132 ( -4.714 8.567 -9.012) 13.297 15.528 ( -2.830 3.935 1.060) 4.962 15.553 ( -3.501 3.869 0.701) 5.265 15.634 ( 0.928 2.864 -2.279) 3.776 15.690 ( 1.641 2.265 2.217) 3.569 16.194 ( 0.514 -3.726 -2.677) 4.617 16.251 ( 1.794 -5.486 1.082) 5.873 ======================= Grid point 167 (74/115) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 0.507 1.439 -0.319) 1.558 1.128 ( -2.210 1.141 -0.422) 2.523 1.138 ( -0.876 -0.222 -1.036) 1.375 1.252 ( -0.541 1.297 1.549) 2.091 1.281 ( -0.146 -0.306 2.301) 2.326 1.314 ( 1.180 1.750 0.414) 2.151 1.409 ( 2.871 -6.615 -3.229) 7.901 1.444 ( 3.262 -4.753 -2.901) 6.453 1.656 ( 0.237 0.026 2.062) 2.075 1.690 ( -0.578 1.430 -3.448) 3.777 1.752 ( -1.457 1.434 -1.061) 2.303 1.783 ( -0.825 1.827 0.426) 2.049 1.881 ( -2.188 4.219 -1.338) 4.938 1.928 ( -0.099 1.906 -1.869) 2.671 2.056 ( -1.485 -1.143 3.371) 3.857 2.076 ( 3.406 -1.265 3.689) 5.178 2.297 ( -0.159 -1.531 -1.225) 1.967 2.344 ( 0.677 -0.664 -1.712) 1.957 2.404 ( 0.840 -1.997 0.330) 2.192 2.447 ( 1.738 -2.659 -0.882) 3.297 2.531 ( 0.446 -2.118 -0.570) 2.238 2.568 ( 0.413 -1.986 -3.648) 4.174 2.617 ( -0.254 2.215 -0.355) 2.258 2.773 ( 1.230 -1.833 1.421) 2.626 2.789 ( -0.164 -1.395 0.711) 1.575 3.033 ( 1.131 -1.323 0.780) 1.908 3.201 ( 2.095 -5.095 1.865) 5.816 3.294 ( 0.533 -1.816 -4.771) 5.132 3.504 ( 1.728 -5.377 -0.101) 5.649 3.554 ( 3.548 -3.683 -1.594) 5.357 3.597 ( 3.065 -5.820 4.387) 7.906 3.647 ( 2.549 -3.706 -2.196) 5.006 3.701 ( 0.719 -1.357 0.553) 1.632 3.771 ( 1.041 -0.403 -0.444) 1.202 3.862 ( 1.285 -2.433 0.128) 2.755 3.875 ( 2.565 -4.394 4.976) 7.117 4.178 ( -1.642 1.433 0.502) 2.236 4.301 ( -0.311 0.713 -0.448) 0.898 4.426 ( 1.603 -2.913 -2.123) 3.945 4.503 ( 1.488 -2.659 1.261) 3.298 4.766 ( -3.219 5.558 -5.562) 8.496 4.821 ( -1.695 2.880 4.961) 5.981 5.704 ( -3.209 1.856 -9.255) 9.970 5.776 ( 0.044 -1.522 5.969) 6.160 5.881 ( 3.409 -1.505 -2.198) 4.326 6.080 ( 5.446 -3.986 3.990) 7.840 6.221 ( 2.799 -10.137 4.372) 11.389 6.388 ( 5.960 -11.654 -1.624) 13.190 7.761 ( -0.020 0.071 -2.808) 2.809 7.877 ( 0.323 -2.053 3.688) 4.233 7.909 ( 2.530 -3.385 3.704) 5.619 7.943 ( 1.306 -2.570 -2.130) 3.584 8.371 ( 1.545 -3.421 -0.385) 3.773 8.390 ( 1.741 -3.427 -0.268) 3.853 8.781 ( -0.499 0.406 -6.956) 6.985 8.811 ( 0.302 -0.450 5.505) 5.532 9.012 ( -0.193 0.551 -2.575) 2.640 9.051 ( -0.008 -0.149 2.215) 2.220 9.106 ( 0.149 0.629 -0.326) 0.724 9.131 ( 0.674 -0.057 0.981) 1.191 9.529 ( -3.200 4.799 -0.037) 5.768 9.540 ( -2.103 4.770 -0.479) 5.235 9.586 ( -2.074 3.627 -0.230) 4.185 9.605 ( -1.738 3.367 0.374) 3.808 9.859 ( -0.657 1.510 -2.146) 2.705 9.895 ( -0.051 0.555 2.165) 2.236 10.094 ( -0.333 0.370 -0.762) 0.910 10.118 ( -0.203 -0.579 0.251) 0.663 10.150 ( 0.718 -0.612 0.020) 0.944 10.160 ( 0.620 -0.969 0.480) 1.246 11.908 ( -4.676 8.382 -6.313) 11.488 11.964 ( -3.626 6.720 5.685) 9.519 15.432 ( -2.451 4.151 -0.255) 4.827 15.475 ( -2.472 2.464 1.805) 3.929 15.592 ( 0.921 2.363 -1.938) 3.192 15.674 ( 1.911 2.377 2.061) 3.681 16.249 ( -0.106 -3.317 -2.273) 4.023 16.349 ( 0.829 -4.246 0.813) 4.402 ======================= Grid point 168 (75/115) ======================= q-point: ( 0.44 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 0.030 1.108 0.112) 1.114 1.109 ( -0.922 -0.242 -1.125) 1.475 1.123 ( -0.143 0.717 -1.084) 1.307 1.248 ( -1.086 -1.153 2.393) 2.870 1.267 ( 0.593 1.318 2.010) 2.476 1.331 ( 0.609 -0.653 0.590) 1.070 1.489 ( 0.430 0.729 -3.501) 3.602 1.507 ( 0.926 -2.635 -2.335) 3.640 1.641 ( -0.817 1.119 -3.328) 3.605 1.677 ( 1.909 -0.898 0.452) 2.157 1.710 ( -1.967 1.376 0.232) 2.412 1.760 ( -0.191 0.301 0.232) 0.426 1.787 ( -1.319 2.437 0.147) 2.775 1.918 ( 0.282 0.513 -0.509) 0.776 2.079 ( 0.441 -1.460 2.701) 3.102 2.144 ( 1.417 -1.821 3.090) 3.857 2.306 ( -0.349 -0.337 -1.504) 1.580 2.346 ( 0.087 0.017 -1.573) 1.575 2.424 ( -0.197 -0.342 -0.021) 0.395 2.473 ( 0.253 -0.107 -1.232) 1.262 2.528 ( -0.589 0.560 -2.823) 2.938 2.565 ( -0.681 0.817 -1.925) 2.199 2.585 ( 0.392 0.209 -1.690) 1.747 2.806 ( 0.913 -1.108 0.471) 1.511 2.835 ( 0.410 -1.435 1.475) 2.098 3.045 ( -0.120 0.549 1.303) 1.418 3.285 ( 0.252 -2.751 0.422) 2.795 3.323 ( 1.174 -1.138 -1.588) 2.279 3.559 ( -0.104 -1.396 -0.366) 1.447 3.603 ( 1.289 -0.344 -1.183) 1.784 3.673 ( 0.452 -0.746 0.127) 0.882 3.683 ( 0.485 -0.276 -0.086) 0.565 3.750 ( 0.505 -1.827 0.479) 1.955 3.789 ( 1.162 -0.029 0.402) 1.230 3.903 ( 0.371 -0.989 -0.470) 1.156 4.060 ( 4.804 -8.322 7.885) 12.430 4.148 ( -0.753 0.251 -0.597) 0.993 4.288 ( -0.182 0.327 -0.005) 0.374 4.470 ( 0.605 -1.370 -1.381) 2.037 4.521 ( -1.288 2.154 -2.405) 3.476 4.637 ( -1.722 3.241 -2.426) 4.399 4.791 ( -0.356 0.611 2.877) 2.963 5.623 ( -1.970 1.877 -4.917) 5.620 5.826 ( 0.422 -2.319 2.157) 3.194 5.915 ( 1.348 -0.515 -1.618) 2.168 6.180 ( 2.560 -1.707 2.810) 4.167 6.389 ( 1.924 -5.085 2.368) 5.931 6.565 ( 1.983 -4.033 0.606) 4.535 7.750 ( -0.149 0.297 -1.492) 1.529 7.918 ( 0.542 -1.064 2.304) 2.595 7.973 ( 0.224 -0.637 0.082) 0.681 7.995 ( 1.549 -2.211 2.651) 3.783 8.422 ( 0.226 -1.398 -0.636) 1.552 8.431 ( 0.677 -0.681 -1.122) 1.477 8.763 ( -0.142 0.066 -3.184) 3.188 8.856 ( 1.125 -2.148 2.095) 3.205 8.988 ( -0.485 0.939 -1.899) 2.174 9.059 ( 0.155 -0.375 1.125) 1.196 9.090 ( -0.243 0.876 0.173) 0.925 9.132 ( 0.112 0.336 0.701) 0.785 9.442 ( -1.503 2.191 -0.202) 2.665 9.462 ( -1.079 2.003 -0.625) 2.360 9.527 ( -0.811 1.425 -0.079) 1.642 9.553 ( -0.558 1.423 0.281) 1.554 9.827 ( -0.487 0.976 -1.098) 1.547 9.897 ( 0.146 -0.065 1.113) 1.124 10.083 ( -0.224 0.294 -0.514) 0.634 10.122 ( -0.149 -0.160 0.139) 0.259 10.162 ( 0.199 -0.247 0.109) 0.336 10.178 ( 0.337 -0.392 0.306) 0.601 11.746 ( -2.405 4.403 -3.211) 5.957 11.879 ( -0.960 1.877 2.432) 3.219 15.362 ( -1.363 1.549 -0.262) 2.080 15.439 ( -0.761 0.706 1.381) 1.727 15.562 ( 0.082 1.207 -0.888) 1.500 15.667 ( 0.749 0.725 1.413) 1.755 16.279 ( -0.035 -1.130 -1.766) 2.097 16.407 ( 0.664 -1.486 0.432) 1.684 ======================= Grid point 169 (76/115) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 0.404 -0.421 0.222) 0.624 1.097 ( 0.853 0.790 0.004) 1.162 1.113 ( -0.713 -0.200 -0.086) 0.745 1.258 ( 0.748 -0.148 2.475) 2.590 1.294 ( -0.105 -1.359 -1.029) 1.708 1.332 ( -1.254 0.147 0.405) 1.326 1.421 ( -0.806 5.196 1.683) 5.521 1.487 ( -2.540 2.470 -0.175) 3.547 1.610 ( -1.343 0.249 -0.134) 1.373 1.700 ( 0.196 -1.562 -1.440) 2.134 1.722 ( 1.187 -0.909 -0.505) 1.578 1.764 ( 0.396 -0.595 -0.243) 0.755 1.799 ( 1.983 -3.512 -1.109) 4.183 1.908 ( -0.314 0.472 0.380) 0.682 2.121 ( 1.192 -1.748 -1.370) 2.520 2.169 ( -0.716 0.230 0.744) 1.058 2.295 ( -0.347 0.549 -0.457) 0.794 2.333 ( -0.553 0.773 -0.750) 1.211 2.420 ( -0.330 0.652 1.064) 1.291 2.465 ( -0.609 0.304 -0.558) 0.880 2.511 ( 0.305 0.168 -1.395) 1.438 2.556 ( 0.206 1.699 -0.375) 1.752 2.581 ( 0.202 -2.070 -2.026) 2.903 2.818 ( -0.041 0.240 -0.597) 0.644 2.846 ( 0.015 0.796 0.271) 0.841 3.035 ( -0.466 0.880 2.253) 2.464 3.293 ( -3.340 1.030 0.151) 3.498 3.306 ( 0.994 3.448 -0.399) 3.611 3.554 ( 1.786 3.464 0.325) 3.911 3.582 ( -3.879 0.507 0.838) 4.001 3.676 ( -0.852 0.186 -0.093) 0.877 3.680 ( -0.066 0.959 0.221) 0.986 3.756 ( 0.434 1.571 -0.071) 1.631 3.784 ( -2.112 0.234 0.808) 2.273 3.890 ( -0.859 1.816 1.049) 2.266 4.160 ( 1.040 -0.800 -1.818) 2.242 4.167 ( -1.023 1.690 -2.119) 2.897 4.282 ( -0.255 0.348 0.279) 0.514 4.459 ( -0.963 1.844 -0.268) 2.097 4.472 ( 1.164 -1.883 1.389) 2.613 4.611 ( -0.133 0.461 0.948) 1.063 4.822 ( 1.643 -2.843 -0.503) 3.322 5.576 ( -0.674 1.238 0.165) 1.420 5.865 ( 0.071 -1.442 -1.986) 2.455 5.914 ( -0.649 0.073 -1.556) 1.687 6.197 ( -1.209 1.250 1.036) 2.025 6.419 ( -0.051 3.013 -0.623) 3.077 6.542 ( -3.457 6.485 3.018) 7.944 7.737 ( -0.370 0.607 -0.116) 0.720 7.936 ( 0.271 -0.024 0.490) 0.561 7.955 ( -1.160 2.436 1.714) 3.197 8.017 ( -0.675 1.047 0.693) 1.426 8.416 ( -0.505 0.947 -0.478) 1.175 8.428 ( -0.620 1.339 -0.453) 1.544 8.723 ( -1.752 3.241 1.144) 3.857 8.893 ( 0.434 -0.972 -2.084) 2.341 8.975 ( 0.250 -0.497 -0.428) 0.702 9.078 ( 0.578 -0.888 -0.506) 1.174 9.084 ( -0.175 -0.349 0.381) 0.546 9.139 ( 0.536 -0.751 0.100) 0.928 9.440 ( 1.254 -2.131 0.018) 2.473 9.460 ( 1.115 -1.936 -0.392) 2.268 9.526 ( 0.681 -1.395 0.037) 1.553 9.554 ( 0.813 -1.379 0.113) 1.605 9.813 ( -0.188 0.147 0.380) 0.449 9.907 ( 0.329 -0.674 -0.011) 0.750 10.079 ( 0.092 -0.027 -0.115) 0.150 10.122 ( -0.008 0.181 0.157) 0.240 10.163 ( -0.233 0.138 0.027) 0.272 10.181 ( -0.086 0.199 -0.022) 0.218 11.709 ( 0.761 -1.402 0.733) 1.756 11.914 ( 2.773 -4.812 -1.312) 5.707 15.359 ( 0.015 -2.013 0.083) 2.014 15.447 ( 0.908 -1.273 0.478) 1.635 15.550 ( -0.933 -0.387 0.388) 1.082 15.674 ( -1.052 -1.342 0.595) 1.806 16.272 ( 0.526 1.586 -1.102) 2.002 16.412 ( 0.804 1.822 -0.089) 1.994 ======================= Grid point 170 (77/115) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -2.253 0.453 2.558) 3.438 1.114 ( 0.411 -0.608 0.691) 1.007 1.127 ( 3.599 -0.331 0.041) 3.615 1.233 ( -1.346 4.729 4.163) 6.442 1.277 ( -3.867 1.748 2.359) 4.856 1.320 ( 0.313 -0.316 0.270) 0.520 1.353 ( -0.487 1.130 0.140) 1.238 1.428 ( -1.388 1.311 -0.897) 2.110 1.630 ( -0.079 -1.783 1.969) 2.657 1.702 ( -0.299 0.451 -2.496) 2.554 1.746 ( 1.186 -1.479 0.029) 1.897 1.786 ( 0.545 -1.097 0.106) 1.229 1.884 ( 0.814 -3.138 -0.859) 3.353 1.912 ( 1.352 -2.085 -0.037) 2.485 2.126 ( -0.971 1.674 -3.055) 3.617 2.138 ( -0.830 0.495 -3.561) 3.690 2.278 ( -0.292 1.454 0.767) 1.670 2.308 ( -1.353 1.444 1.587) 2.537 2.405 ( -0.084 1.517 0.951) 1.793 2.424 ( -3.123 4.256 1.697) 5.545 2.492 ( -0.885 3.077 2.321) 3.954 2.527 ( 0.023 -0.356 0.265) 0.444 2.643 ( 2.088 -3.536 -2.813) 4.978 2.798 ( -1.023 1.726 -1.082) 2.279 2.811 ( -0.010 2.093 -1.375) 2.504 3.009 ( -1.786 2.934 3.468) 4.881 3.208 ( -3.153 3.105 3.298) 5.519 3.250 ( -0.058 3.884 -2.829) 4.806 3.467 ( -1.627 6.816 3.754) 7.949 3.538 ( -3.362 1.563 -0.294) 3.719 3.615 ( -3.102 5.095 0.848) 6.025 3.657 ( -0.865 2.059 -1.418) 2.645 3.722 ( -0.668 1.947 -1.432) 2.508 3.756 ( -1.487 0.531 1.057) 1.900 3.860 ( -0.345 0.941 0.100) 1.007 4.004 ( -4.039 7.014 -7.602) 11.104 4.205 ( 1.861 -1.935 -2.124) 3.424 4.285 ( -0.131 -0.289 1.203) 1.244 4.399 ( -1.859 3.249 0.637) 3.797 4.517 ( -0.519 1.380 -0.130) 1.480 4.661 ( 2.807 -4.805 5.639) 7.922 4.892 ( 2.098 -3.589 -2.859) 5.046 5.571 ( 0.624 0.389 5.062) 5.116 5.840 ( -2.247 2.185 -0.305) 3.149 5.908 ( -1.265 -1.236 -5.653) 5.924 6.129 ( -3.021 4.097 -1.365) 5.270 6.304 ( -1.717 7.910 -3.672) 8.889 6.335 ( -6.537 12.648 3.719) 14.715 7.723 ( -0.505 0.791 1.262) 1.572 7.888 ( -1.873 4.180 3.301) 5.646 7.931 ( 0.296 1.087 -1.817) 2.138 7.966 ( -2.111 2.411 -1.894) 3.723 8.369 ( -1.584 3.760 -0.070) 4.081 8.384 ( -1.341 2.444 0.190) 2.795 8.662 ( -1.211 2.496 5.144) 5.844 8.904 ( 0.654 -1.400 -3.323) 3.665 8.992 ( 0.419 -0.943 -1.301) 1.661 9.076 ( -0.548 0.724 1.912) 2.117 9.100 ( 0.222 -0.887 -2.447) 2.612 9.154 ( -0.142 -0.417 -0.802) 0.915 9.525 ( 3.060 -4.894 0.412) 5.787 9.535 ( 2.267 -4.728 -0.056) 5.243 9.584 ( 1.992 -3.780 -0.052) 4.273 9.608 ( 1.909 -3.276 -0.033) 3.792 9.821 ( 0.078 -0.626 1.914) 2.015 9.925 ( 0.443 -1.126 -1.002) 1.571 10.083 ( 0.228 -0.097 0.389) 0.462 10.117 ( -0.086 0.518 0.267) 0.589 10.153 ( -0.452 0.608 -0.255) 0.799 10.170 ( -0.529 0.702 -0.421) 0.975 11.801 ( 3.165 -5.744 4.700) 8.069 12.066 ( 5.277 -9.304 -4.823) 11.733 15.425 ( 1.379 -4.674 0.476) 4.897 15.497 ( 2.279 -2.710 -0.364) 3.560 15.560 ( -1.395 -1.822 1.445) 2.712 15.693 ( -2.346 -2.786 -0.067) 3.642 16.231 ( 0.642 3.665 -0.480) 3.752 16.363 ( 0.496 4.520 -0.659) 4.595 ======================= Grid point 171 (78/115) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -7.286 9.085 7.981) 14.118 1.049 ( -2.423 7.973 10.429) 13.349 1.156 ( -0.849 1.599 0.046) 1.811 1.226 ( 1.829 -1.499 -0.744) 2.479 1.251 ( 0.740 -2.608 1.079) 2.917 1.312 ( -0.560 2.519 -0.137) 2.584 1.364 ( 0.529 -2.548 -3.327) 4.224 1.422 ( 0.682 -1.929 -2.887) 3.538 1.637 ( -1.765 1.862 4.400) 5.093 1.687 ( 0.035 -0.164 -1.334) 1.345 1.779 ( 0.870 -0.287 0.801) 1.217 1.806 ( 0.165 -0.923 0.945) 1.331 1.907 ( -0.220 -1.327 -0.573) 1.462 1.998 ( 2.303 -3.526 0.839) 4.294 2.060 ( -2.850 1.766 -3.270) 4.684 2.098 ( -0.408 2.768 -3.296) 4.324 2.198 ( -4.622 9.220 7.526) 12.768 2.265 ( -0.602 1.234 1.181) 1.812 2.331 ( -1.452 1.899 4.011) 4.669 2.368 ( -1.154 2.401 -0.524) 2.715 2.435 ( -1.614 3.721 2.588) 4.811 2.528 ( -0.117 0.502 -2.003) 2.068 2.660 ( -0.383 1.551 -3.912) 4.226 2.704 ( -2.707 5.491 -0.759) 6.169 2.840 ( 2.715 -3.426 -0.785) 4.442 2.944 ( -1.754 2.848 3.682) 4.975 3.152 ( -2.673 2.300 -1.801) 3.959 3.178 ( -0.492 3.761 1.631) 4.129 3.361 ( -2.148 5.418 3.176) 6.637 3.409 ( -5.314 7.933 -4.942) 10.752 3.491 ( -1.897 5.063 2.756) 6.068 3.614 ( 0.142 -0.848 -3.111) 3.228 3.697 ( -0.180 0.245 -0.745) 0.805 3.749 ( -0.717 0.047 1.066) 1.286 3.842 ( -0.698 1.050 -1.577) 2.020 3.875 ( -1.556 2.934 -5.605) 6.515 4.239 ( 1.001 -1.109 -1.220) 1.929 4.289 ( 0.148 0.614 1.731) 1.843 4.334 ( -2.346 2.170 0.619) 3.255 4.452 ( -1.991 3.647 -1.161) 4.314 4.794 ( 2.781 -4.717 5.412) 7.699 4.952 ( 1.590 -2.699 -3.462) 4.669 5.607 ( 1.882 -0.405 8.942) 9.146 5.772 ( -3.103 2.546 1.163) 4.179 5.867 ( -3.635 1.245 -4.970) 6.282 6.000 ( -1.432 8.000 -2.581) 8.527 6.064 ( -6.565 12.473 3.690) 14.570 6.166 ( -1.438 2.960 -10.398) 10.906 7.713 ( -0.390 0.659 2.607) 2.717 7.814 ( -1.779 3.969 4.169) 6.025 7.889 ( 0.138 2.700 -3.739) 4.614 7.912 ( -1.767 0.660 -3.711) 4.163 8.287 ( -1.760 3.824 0.431) 4.232 8.314 ( -1.771 3.578 -0.554) 4.031 8.666 ( 0.345 -0.258 8.670) 8.680 8.932 ( 1.098 -2.137 -3.176) 3.982 9.002 ( 0.385 -0.630 -2.548) 2.653 9.060 ( -1.107 1.187 2.901) 3.325 9.098 ( 0.160 0.017 -3.406) 3.410 9.143 ( -1.124 0.387 -1.565) 1.965 9.637 ( 2.561 -4.664 0.273) 5.328 9.644 ( 2.652 -5.093 0.307) 5.750 9.673 ( 2.048 -4.138 -0.085) 4.617 9.689 ( 2.354 -3.796 -0.251) 4.474 9.845 ( 0.170 -0.976 3.138) 3.291 9.944 ( 0.418 -1.237 -1.761) 2.192 10.086 ( 0.007 0.269 0.864) 0.905 10.104 ( -0.448 0.862 0.527) 1.105 10.133 ( -0.437 1.076 -0.793) 1.406 10.146 ( -0.833 1.055 -0.765) 1.546 11.965 ( 3.716 -6.648 8.157) 11.160 12.258 ( 5.266 -9.449 -7.822) 13.349 15.526 ( 2.045 -4.643 0.759) 5.130 15.570 ( 2.228 -3.219 0.185) 3.920 15.595 ( 0.019 -2.787 1.103) 2.997 15.717 ( -2.094 -2.657 -0.548) 3.427 16.165 ( -0.357 4.137 0.131) 4.154 16.275 ( -0.516 5.410 -1.367) 5.604 ======================= Grid point 172 (79/115) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( -6.307 8.752 14.189) 17.824 0.888 ( -5.255 12.907 13.680) 19.528 1.072 ( -2.390 3.383 -7.004) 8.137 1.131 ( -3.085 8.406 -8.290) 12.203 1.315 ( 2.575 -4.018 2.524) 5.399 1.363 ( 1.656 -2.680 2.564) 4.062 1.406 ( 1.092 -2.579 -2.835) 3.985 1.454 ( 0.613 -1.546 -2.907) 3.349 1.550 ( -4.767 6.939 16.583) 18.597 1.699 ( 0.339 -0.792 0.090) 0.866 1.800 ( 1.281 -1.688 1.901) 2.847 1.839 ( 1.362 -2.225 0.248) 2.621 1.923 ( 0.333 -0.562 -0.577) 0.872 1.984 ( -2.707 3.744 2.151) 5.096 2.007 ( -2.211 1.565 -1.781) 3.242 2.024 ( -0.772 3.921 -2.417) 4.670 2.147 ( 1.509 -2.578 5.800) 6.524 2.264 ( 0.444 -0.371 1.881) 1.968 2.315 ( -1.567 0.712 2.239) 2.824 2.324 ( 0.265 1.333 -0.331) 1.399 2.362 ( -1.604 3.445 1.737) 4.178 2.487 ( -0.625 1.894 -7.721) 7.975 2.585 ( -1.984 4.803 -0.142) 5.199 2.594 ( -1.815 3.158 -2.299) 4.307 2.923 ( -0.203 0.040 4.481) 4.486 2.935 ( 2.753 -4.334 0.415) 5.151 3.093 ( -1.303 2.771 0.628) 3.126 3.110 ( -1.269 1.648 -1.848) 2.783 3.214 ( -3.204 6.548 -7.497) 10.457 3.230 ( -3.593 6.157 -1.959) 7.393 3.500 ( 1.162 -1.989 8.597) 8.900 3.658 ( 1.719 -3.632 -2.852) 4.927 3.698 ( 0.443 -0.522 -0.382) 0.784 3.738 ( -1.116 0.771 0.940) 1.651 3.790 ( -1.530 3.010 -1.946) 3.898 3.810 ( -0.496 1.903 -5.893) 6.213 4.243 ( -0.182 1.170 2.428) 2.701 4.278 ( -1.005 1.132 2.555) 2.970 4.302 ( -0.414 -0.595 -2.403) 2.510 4.368 ( -1.833 3.191 -2.012) 4.194 4.894 ( 1.567 -2.695 4.342) 5.345 4.991 ( 1.019 -1.809 -3.040) 3.682 5.673 ( 3.215 -0.299 9.926) 10.438 5.719 ( -2.670 0.934 2.636) 3.866 5.782 ( -3.523 2.731 -2.081) 4.920 5.848 ( -3.330 6.707 0.841) 7.535 5.856 ( -1.954 6.872 -0.165) 7.146 6.103 ( -0.219 -0.662 -16.146) 16.161 7.715 ( 0.041 0.124 3.802) 3.805 7.758 ( -1.324 2.623 4.591) 5.451 7.844 ( 0.292 1.021 -4.869) 4.983 7.871 ( -1.165 0.900 -4.897) 5.113 8.223 ( -1.027 2.245 0.709) 2.568 8.246 ( -1.118 2.255 -0.872) 2.664 8.717 ( 0.666 -0.941 10.491) 10.555 8.969 ( 1.313 -2.164 -4.182) 4.888 9.004 ( 0.418 -0.214 -2.222) 2.271 9.037 ( -1.375 1.294 3.397) 3.886 9.085 ( 0.373 0.299 -3.477) 3.509 9.114 ( -1.468 0.644 -2.333) 2.830 9.725 ( 1.576 -3.248 0.380) 3.630 9.737 ( 1.735 -3.299 -0.159) 3.730 9.747 ( 1.433 -2.514 0.242) 2.904 9.763 ( 1.507 -2.495 -0.457) 2.951 9.872 ( 0.099 -0.637 3.964) 4.016 9.958 ( 0.195 -0.844 -2.334) 2.490 10.079 ( -0.416 0.648 1.096) 1.339 10.086 ( -0.497 0.801 0.865) 1.279 10.107 ( -0.244 1.122 -1.143) 1.620 10.117 ( -0.745 0.978 -1.012) 1.592 12.122 ( 2.445 -4.319 10.676) 11.773 12.399 ( 3.110 -5.782 -10.122) 12.064 15.603 ( 0.708 -2.626 1.789) 3.255 15.636 ( 0.739 -2.263 1.614) 2.876 15.658 ( 2.577 -2.665 -0.996) 3.839 15.729 ( -0.405 -0.326 -1.568) 1.652 16.100 ( -1.548 2.645 1.675) 3.493 16.182 ( -1.272 3.466 -2.391) 4.399 ======================= Grid point 174 (80/115) ======================= q-point: ( 0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 6.839 0.000 13.417) 15.060 0.981 ( 7.770 0.000 -0.863) 7.817 1.005 ( 10.051 0.000 2.021) 10.252 1.023 ( 10.265 0.000 -11.240) 15.222 1.348 ( -4.653 -0.000 2.357) 5.216 1.372 ( -3.439 -0.000 -2.299) 4.137 1.388 ( -3.494 -0.000 -1.050) 3.649 1.429 ( -1.260 -0.000 -0.051) 1.261 1.672 ( 1.916 0.000 7.452) 7.694 1.697 ( 0.227 0.000 -2.603) 2.613 1.819 ( -1.862 -0.000 1.808) 2.595 1.833 ( -1.915 -0.000 -1.524) 2.448 1.921 ( -1.059 -0.000 1.277) 1.659 1.960 ( 1.012 0.000 -1.329) 1.671 1.994 ( 4.344 0.000 -2.934) 5.242 2.037 ( 5.146 0.000 1.736) 5.431 2.231 ( -1.138 -0.000 9.273) 9.343 2.254 ( -2.051 -0.000 -5.309) 5.692 2.301 ( 0.186 0.000 0.523) 0.556 2.340 ( 1.374 0.000 -0.111) 1.379 2.392 ( 5.003 0.000 4.639) 6.823 2.393 ( 3.661 0.000 -9.091) 9.800 2.571 ( 2.532 0.000 -0.425) 2.568 2.584 ( 4.410 0.000 0.248) 4.417 2.946 ( -4.685 -0.000 -0.662) 4.732 2.951 ( -1.512 -0.000 4.298) 4.556 3.055 ( -0.521 -0.000 -4.451) 4.481 3.146 ( 4.566 0.000 4.036) 6.094 3.152 ( 7.469 0.000 -3.942) 8.445 3.211 ( 9.076 0.000 -0.278) 9.080 3.590 ( -3.549 -0.000 8.851) 9.535 3.623 ( -3.706 -0.000 -6.395) 7.391 3.703 ( -0.548 -0.000 0.023) 0.548 3.738 ( 0.728 0.000 0.329) 0.799 3.746 ( 1.946 0.000 -3.333) 3.859 3.786 ( 3.863 0.000 -0.050) 3.864 4.252 ( -1.843 -0.000 -1.473) 2.359 4.292 ( 2.403 0.000 1.562) 2.866 4.298 ( 0.780 0.000 2.368) 2.494 4.363 ( 5.271 0.000 -2.043) 5.653 4.937 ( -2.644 -0.000 4.188) 4.953 4.955 ( -2.448 -0.000 -3.746) 4.475 5.727 ( 0.302 0.000 4.705) 4.714 5.735 ( 0.907 0.000 -0.855) 1.247 5.764 ( 0.414 0.000 -2.816) 2.846 5.815 ( 3.126 0.000 0.797) 3.226 5.914 ( 6.686 0.000 9.546) 11.654 5.979 ( 5.819 0.000 -12.463) 13.755 7.743 ( -1.300 -0.000 4.310) 4.502 7.795 ( 1.153 0.000 -4.550) 4.694 7.811 ( 2.473 0.000 1.417) 2.850 7.821 ( 2.039 0.000 -1.508) 2.536 8.230 ( 2.163 0.000 0.829) 2.316 8.233 ( 2.259 0.000 -0.914) 2.437 8.828 ( -1.369 -0.000 10.954) 11.039 8.873 ( -2.352 -0.000 -10.547) 10.806 9.022 ( -0.692 -0.000 3.038) 3.116 9.049 ( 0.256 0.000 -3.689) 3.698 9.083 ( 2.358 0.000 2.403) 3.366 9.092 ( 1.844 0.000 -1.836) 2.602 9.733 ( -3.731 -0.000 0.522) 3.767 9.737 ( -3.585 -0.000 -0.328) 3.600 9.752 ( -2.709 -0.000 -0.305) 2.726 9.756 ( -2.371 -0.000 0.179) 2.377 9.917 ( -0.579 -0.000 3.469) 3.517 9.931 ( -0.375 -0.000 -3.141) 3.163 10.087 ( 0.870 0.000 1.018) 1.339 10.095 ( 0.670 0.000 0.476) 0.822 10.102 ( 1.001 0.000 -1.222) 1.580 10.103 ( 1.329 0.000 -0.308) 1.364 12.239 ( -5.340 -0.000 11.524) 12.701 12.291 ( -5.594 -0.000 -11.352) 12.655 15.630 ( -2.191 -0.000 0.366) 2.221 15.641 ( -4.273 -0.000 1.183) 4.434 15.654 ( -2.886 -0.000 0.865) 3.013 15.685 ( -0.961 -0.000 -2.568) 2.742 16.137 ( 2.939 0.000 1.824) 3.459 16.163 ( 5.667 0.000 -1.609) 5.891 ======================= Grid point 175 (81/115) ======================= q-point: ( 0.22 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 6.894 -3.992 1.815) 8.171 1.066 ( 5.702 -4.051 -1.518) 7.157 1.143 ( 6.504 -6.154 -5.333) 10.422 1.169 ( 7.723 -4.274 3.743) 9.588 1.270 ( -3.126 4.360 -1.886) 5.687 1.295 ( -4.322 0.646 1.217) 4.536 1.374 ( -1.893 0.193 -0.417) 1.948 1.399 ( -1.319 1.392 1.191) 2.258 1.683 ( -0.175 0.905 1.576) 1.826 1.694 ( -0.241 0.102 -1.848) 1.866 1.798 ( -1.431 1.411 -0.887) 2.197 1.812 ( -1.839 -0.002 0.439) 1.891 1.942 ( 1.836 -0.304 0.070) 1.862 1.961 ( 0.582 -2.826 0.404) 2.913 2.041 ( -0.452 0.251 -1.622) 1.702 2.060 ( -0.346 0.811 2.314) 2.476 2.248 ( 3.005 -2.009 -4.823) 6.027 2.277 ( 3.372 -2.004 3.394) 5.187 2.340 ( 1.904 -1.686 -0.052) 2.543 2.350 ( 2.871 -1.351 0.254) 3.183 2.441 ( 3.055 -2.835 -5.076) 6.568 2.460 ( 3.817 -1.671 4.323) 6.004 2.626 ( 2.462 -2.808 -0.122) 3.737 2.643 ( 3.765 -1.883 0.618) 4.255 2.896 ( -0.130 4.677 0.223) 4.684 2.924 ( -3.562 -2.568 -0.442) 4.413 3.117 ( 0.322 -6.279 -2.030) 6.607 3.140 ( 5.234 2.078 2.069) 6.000 3.318 ( 6.950 -6.544 -1.761) 9.707 3.330 ( 10.069 -2.827 2.627) 10.783 3.558 ( -1.176 1.015 -4.435) 4.700 3.577 ( -0.647 0.713 3.454) 3.586 3.708 ( 1.090 1.411 -0.025) 1.783 3.726 ( -1.073 -2.407 0.413) 2.667 3.800 ( 1.140 -2.352 -0.313) 2.632 3.816 ( 2.749 0.073 0.648) 2.825 4.254 ( -1.593 -2.309 -2.188) 3.558 4.264 ( 1.089 2.424 2.180) 3.437 4.379 ( 2.029 -3.352 1.768) 4.298 4.403 ( 5.211 0.480 -1.561) 5.461 4.896 ( -3.229 2.114 -4.622) 6.021 4.907 ( -3.280 1.784 4.634) 5.951 5.715 ( -2.072 -0.342 -7.779) 8.058 5.754 ( -0.480 -0.623 7.033) 7.077 5.829 ( 2.402 -5.213 -0.039) 5.740 5.873 ( 3.198 -3.024 1.367) 4.609 6.033 ( 9.841 -1.748 5.423) 11.371 6.056 ( 10.380 -4.052 -5.549) 12.448 7.760 ( -0.808 -1.484 2.178) 2.757 7.782 ( 0.820 0.239 -2.128) 2.293 7.842 ( 1.809 -2.672 -4.365) 5.428 7.872 ( 4.022 -0.506 4.391) 5.976 8.271 ( 3.005 -1.811 -0.382) 3.530 8.277 ( 2.965 -2.231 0.326) 3.725 8.809 ( -2.104 0.741 -9.727) 9.980 8.839 ( -1.357 1.161 9.792) 9.953 9.028 ( -0.143 -0.022 0.211) 0.256 9.039 ( 0.301 0.096 -0.509) 0.599 9.104 ( 1.579 -0.521 -2.524) 3.022 9.120 ( 1.906 -0.302 2.529) 3.181 9.667 ( -4.914 2.666 0.133) 5.593 9.678 ( -4.221 2.238 -0.017) 4.777 9.702 ( -3.515 2.324 -0.117) 4.216 9.709 ( -2.886 2.512 -0.020) 3.826 9.908 ( -0.405 0.996 -2.568) 2.784 9.917 ( -0.845 0.427 2.526) 2.698 10.094 ( 0.243 -0.039 0.362) 0.438 10.099 ( 0.295 0.117 -0.394) 0.506 10.123 ( 1.370 -1.088 -0.526) 1.827 10.128 ( 1.472 -1.038 0.583) 1.893 12.153 ( -6.807 4.703 -9.558) 12.642 12.177 ( -7.251 4.264 9.495) 12.686 15.553 ( -4.631 2.605 1.362) 5.486 15.583 ( -3.021 3.235 -0.136) 4.428 15.656 ( -1.508 0.100 -1.203) 1.932 15.675 ( -2.983 -2.295 0.561) 3.805 16.196 ( 3.161 -2.510 0.464) 4.063 16.212 ( 6.344 0.564 -0.981) 6.445 ======================= Grid point 176 (82/115) ======================= q-point: ( 0.33 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -0.653 0.705 -0.730) 1.207 1.127 ( -0.293 0.868 -0.456) 1.023 1.158 ( 1.003 2.457 -1.109) 2.876 1.241 ( -0.525 -2.701 -0.499) 2.796 1.286 ( 2.658 -3.575 -3.827) 5.873 1.336 ( 2.326 2.168 1.347) 3.453 1.371 ( 2.326 -5.395 0.292) 5.883 1.389 ( 2.438 -0.157 0.218) 2.453 1.668 ( 0.079 0.822 1.898) 2.070 1.683 ( -0.784 -0.069 -2.720) 2.832 1.756 ( -1.796 1.521 -0.042) 2.354 1.790 ( -2.219 0.378 0.163) 2.257 1.925 ( -0.903 3.802 -2.795) 4.805 1.989 ( 2.372 2.975 -1.235) 4.000 2.028 ( -2.852 -1.159 5.311) 6.138 2.065 ( 0.541 -3.716 1.886) 4.202 2.296 ( 3.109 -0.497 -0.823) 3.255 2.355 ( 1.933 -1.717 0.082) 2.587 2.380 ( 3.680 -0.756 -1.489) 4.041 2.429 ( 2.887 -2.970 0.285) 4.152 2.494 ( 1.946 -2.493 -3.580) 4.777 2.542 ( 2.492 -2.093 1.244) 3.484 2.665 ( 2.822 1.100 -0.669) 3.102 2.731 ( 1.431 -4.463 2.009) 5.099 2.818 ( 1.131 4.224 -0.822) 4.450 2.973 ( -1.930 -6.167 0.561) 6.486 3.153 ( 0.917 0.351 0.200) 1.002 3.221 ( -0.884 -5.471 -1.834) 5.838 3.443 ( 4.317 -3.659 -3.767) 6.798 3.498 ( 5.303 -6.026 4.251) 9.083 3.588 ( 5.412 -3.351 -1.991) 6.670 3.621 ( 4.158 -2.631 0.765) 4.980 3.704 ( 1.216 0.465 0.189) 1.316 3.761 ( 0.187 -1.974 0.368) 2.016 3.842 ( 0.614 -1.635 -0.106) 1.750 3.855 ( 2.608 -2.267 3.788) 5.128 4.230 ( 2.078 3.319 1.082) 4.062 4.290 ( -0.563 -2.572 -0.632) 2.708 4.419 ( 3.742 0.773 -1.800) 4.224 4.464 ( 0.656 -3.476 1.413) 3.809 4.793 ( -3.859 4.078 -5.695) 7.997 4.854 ( -3.687 2.316 4.867) 6.531 5.664 ( -2.131 0.437 -8.026) 8.316 5.783 ( -0.892 -0.460 8.662) 8.719 5.913 ( 6.024 -0.798 -2.865) 6.718 6.019 ( 2.563 -9.059 3.056) 9.898 6.185 ( 9.723 -2.778 4.068) 10.900 6.255 ( 8.517 -9.936 -3.400) 13.522 7.762 ( 1.170 0.528 -2.922) 3.192 7.818 ( -1.563 -3.637 3.540) 5.311 7.898 ( 2.225 -3.158 -3.444) 5.175 7.937 ( 4.126 -0.984 3.410) 5.443 8.338 ( 2.775 -2.675 -0.400) 3.875 8.353 ( 2.596 -3.110 0.234) 4.058 8.755 ( -0.663 0.226 -8.067) 8.097 8.838 ( -0.674 0.989 7.532) 7.626 9.016 ( 0.446 0.789 -2.455) 2.617 9.050 ( -0.452 -0.475 2.761) 2.837 9.113 ( 0.893 0.004 -2.095) 2.277 9.143 ( 0.871 0.147 1.776) 1.983 9.564 ( -4.873 3.791 0.130) 6.175 9.587 ( -3.909 3.843 -0.335) 5.491 9.617 ( -3.319 3.398 -0.025) 4.750 9.634 ( -2.777 2.871 0.054) 3.995 9.875 ( -0.123 1.561 -2.449) 2.906 9.909 ( -0.813 0.547 2.202) 2.410 10.089 ( -0.453 0.230 -0.786) 0.936 10.104 ( -0.535 -0.589 0.712) 1.067 10.147 ( 1.345 -0.531 -0.830) 1.668 10.162 ( 1.366 -0.936 0.933) 1.901 11.961 ( -6.020 6.794 -7.555) 11.810 12.044 ( -7.271 6.127 7.208) 11.932 15.479 ( -3.469 2.567 1.406) 4.539 15.492 ( -2.907 3.693 0.675) 4.748 15.621 ( -0.856 1.695 -2.063) 2.804 15.684 ( -3.361 -1.446 1.966) 4.154 16.244 ( 5.640 0.741 -1.820) 5.972 16.288 ( 2.011 -4.283 0.023) 4.732 ======================= Grid point 177 (83/115) ======================= q-point: ( 0.44 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -1.462 0.777 -0.732) 1.810 1.102 ( -0.296 0.372 -1.083) 1.182 1.144 ( 1.146 0.889 -0.242) 1.470 1.257 ( -0.950 1.080 0.826) 1.659 1.312 ( 1.427 0.594 2.237) 2.719 1.338 ( 3.381 0.432 -0.091) 3.410 1.429 ( 0.819 -2.904 -4.151) 5.132 1.492 ( 4.086 -3.721 -2.262) 5.972 1.643 ( -1.854 1.579 -2.369) 3.398 1.677 ( -0.001 -0.029 1.391) 1.391 1.719 ( -1.323 1.277 0.810) 2.009 1.763 ( -1.152 0.535 0.311) 1.307 1.822 ( -2.621 4.131 -0.357) 4.905 1.975 ( 3.675 2.767 -1.008) 4.709 2.029 ( -3.383 -1.870 4.243) 5.740 2.149 ( 1.711 -2.831 2.140) 3.939 2.321 ( 2.451 0.469 -0.209) 2.505 2.377 ( 3.617 1.287 -0.950) 3.955 2.409 ( 0.431 -0.743 0.402) 0.948 2.482 ( 1.798 -0.302 -0.574) 1.912 2.526 ( 1.698 -0.215 -2.266) 2.840 2.569 ( 1.611 0.765 -1.630) 2.416 2.638 ( 2.389 3.600 -1.293) 4.510 2.793 ( -0.130 -1.054 0.348) 1.118 2.820 ( 2.038 -2.075 1.502) 3.274 3.047 ( -0.250 -1.874 1.202) 2.241 3.151 ( -5.486 -4.499 -1.265) 7.207 3.282 ( -2.390 -4.375 -0.297) 4.994 3.528 ( 4.503 -2.611 -2.671) 5.850 3.623 ( 3.597 -2.371 0.156) 4.311 3.669 ( 1.783 -1.026 0.291) 2.078 3.695 ( 3.167 -0.847 -1.253) 3.509 3.717 ( 0.202 -1.370 0.636) 1.524 3.796 ( 1.080 -1.130 0.113) 1.567 3.879 ( 1.134 -2.245 -1.194) 2.785 3.999 ( 4.932 -7.501 7.970) 12.005 4.202 ( 3.698 3.552 0.734) 5.179 4.311 ( 1.642 0.598 -0.052) 1.749 4.443 ( 1.309 -1.505 -1.447) 2.464 4.509 ( -1.445 -1.216 -0.523) 1.960 4.662 ( -3.369 4.221 -4.826) 7.243 4.799 ( -3.691 1.411 3.582) 5.334 5.617 ( -0.502 0.974 -4.683) 4.809 5.811 ( -1.089 -1.033 5.958) 6.144 5.957 ( 5.960 1.439 -2.404) 6.586 6.181 ( 3.332 -4.559 2.237) 6.073 6.330 ( 5.152 -4.688 2.048) 7.260 6.476 ( 3.991 -8.989 -1.591) 9.963 7.755 ( 0.937 0.549 -1.731) 2.043 7.872 ( -2.086 -3.380 2.462) 4.673 7.957 ( 1.910 -2.260 -1.920) 3.527 8.004 ( 3.353 -1.414 2.186) 4.245 8.394 ( 0.598 -1.853 -0.466) 2.002 8.414 ( 1.038 -1.826 -0.248) 2.115 8.744 ( 1.081 -1.041 -4.559) 4.800 8.851 ( 0.307 -0.524 4.138) 4.183 8.996 ( 0.021 1.092 -1.667) 1.993 9.057 ( -0.774 -0.096 1.984) 2.132 9.105 ( 0.064 0.828 -1.078) 1.361 9.142 ( -0.299 0.729 0.897) 1.194 9.467 ( -2.766 2.903 0.102) 4.011 9.491 ( -2.324 3.214 -0.441) 3.991 9.542 ( -2.137 2.225 -0.174) 3.090 9.570 ( -1.932 1.921 0.156) 2.729 9.843 ( 0.239 1.471 -1.522) 2.130 9.901 ( -0.570 0.235 1.291) 1.430 10.078 ( -0.654 0.101 -0.491) 0.824 10.110 ( -0.897 -0.756 0.410) 1.243 10.161 ( 0.919 -0.013 -0.423) 1.012 10.188 ( 1.231 -0.281 0.536) 1.372 11.789 ( -3.411 5.434 -4.358) 7.756 11.912 ( -4.974 4.036 3.858) 7.478 15.399 ( -1.087 3.784 0.934) 4.046 15.440 ( -2.293 0.596 1.311) 2.708 15.575 ( -1.600 1.641 -1.212) 2.592 15.669 ( -3.380 0.069 1.747) 3.806 16.280 ( 4.278 -0.026 -1.845) 4.659 16.373 ( 1.623 -3.630 -0.570) 4.017 ======================= Grid point 178 (84/115) ======================= q-point: (-0.44 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -0.238 -0.100 -0.335) 0.422 1.100 ( 0.173 -0.298 -0.596) 0.688 1.147 ( 1.734 0.968 -0.148) 1.991 1.238 ( -0.698 -0.488 0.922) 1.255 1.325 ( 0.815 0.254 1.178) 1.455 1.349 ( 3.416 2.553 1.358) 4.475 1.447 ( -1.188 -0.239 -1.870) 2.228 1.521 ( 1.375 2.332 -0.978) 2.878 1.621 ( -0.422 0.875 0.352) 1.033 1.659 ( -2.387 -0.313 -0.317) 2.428 1.708 ( 0.196 -1.657 -0.054) 1.670 1.759 ( 0.061 -0.321 -0.074) 0.335 1.769 ( -0.427 0.076 -0.048) 0.436 1.961 ( 3.175 2.490 0.196) 4.040 2.050 ( -2.809 -2.945 0.166) 4.073 2.190 ( 0.366 -0.073 0.741) 0.830 2.327 ( 2.154 1.128 -0.040) 2.432 2.379 ( 4.021 2.598 -0.239) 4.794 2.424 ( 0.744 -0.063 0.858) 1.137 2.481 ( 1.201 1.319 -0.605) 1.883 2.523 ( 1.964 1.109 -1.102) 2.511 2.562 ( 1.595 0.470 -1.330) 2.129 2.614 ( 3.038 2.491 -0.304) 3.940 2.805 ( -0.872 -0.802 -0.105) 1.190 2.859 ( 0.942 -0.279 0.148) 0.993 3.050 ( 0.181 0.545 0.615) 0.841 3.175 ( -8.467 -5.187 0.094) 9.930 3.311 ( -4.428 -2.952 0.219) 5.326 3.576 ( 3.286 1.408 -0.766) 3.656 3.647 ( 2.576 2.535 0.247) 3.623 3.683 ( 0.681 0.707 0.024) 0.982 3.700 ( 0.887 0.791 -0.121) 1.194 3.744 ( -0.718 -1.172 -0.209) 1.390 3.800 ( -0.501 1.302 0.383) 1.447 3.905 ( -0.068 0.229 0.214) 0.321 4.152 ( 0.822 -1.983 1.221) 2.470 4.211 ( 5.776 1.300 0.729) 5.965 4.310 ( 2.241 1.485 -0.074) 2.689 4.456 ( -1.697 0.633 -1.365) 2.268 4.466 ( -0.624 0.052 -0.384) 0.734 4.607 ( -1.164 -0.201 -0.228) 1.203 4.779 ( -2.137 -1.985 0.496) 2.958 5.595 ( 1.099 0.931 -0.196) 1.453 5.835 ( -0.940 -1.529 1.297) 2.214 5.959 ( 4.126 3.454 -1.350) 5.548 6.227 ( 1.121 1.928 0.235) 2.243 6.429 ( 1.172 -2.160 -0.181) 2.464 6.572 ( -1.731 -0.659 0.875) 2.049 7.749 ( 0.702 0.709 -0.338) 1.053 7.901 ( -2.557 -2.139 0.516) 3.373 7.982 ( 0.558 0.627 0.208) 0.865 8.043 ( 1.223 0.555 0.497) 1.432 8.408 ( -0.882 -0.603 -0.117) 1.075 8.434 ( -0.141 -0.251 -0.382) 0.478 8.751 ( 0.202 0.834 -0.365) 0.932 8.878 ( 0.267 -0.888 0.146) 0.939 8.976 ( 0.182 0.513 -0.440) 0.700 9.059 ( -0.609 -0.712 0.209) 0.960 9.089 ( -0.032 0.541 0.059) 0.545 9.133 ( -0.200 -0.186 -0.146) 0.310 9.430 ( 0.278 0.018 0.050) 0.283 9.453 ( 0.517 0.177 -0.170) 0.572 9.509 ( -1.052 -0.296 -0.066) 1.095 9.542 ( -0.696 -0.238 -0.027) 0.736 9.824 ( 0.578 0.848 -0.143) 1.036 9.900 ( -0.351 -0.297 0.190) 0.497 10.073 ( -0.407 -0.270 -0.110) 0.500 10.115 ( -0.917 -0.780 0.136) 1.211 10.162 ( 0.489 0.503 0.014) 0.702 10.198 ( 0.934 0.465 0.036) 1.044 11.707 ( -0.148 0.951 -0.602) 1.135 11.865 ( -1.407 -1.579 0.140) 2.119 15.357 ( 0.468 1.146 1.353) 1.834 15.432 ( -0.536 -0.954 0.595) 1.245 15.534 ( -2.345 0.491 0.050) 2.397 15.637 ( -3.984 -0.256 0.842) 4.080 16.309 ( 3.543 0.713 -1.154) 3.794 16.426 ( 1.368 -1.165 -1.200) 2.160 ======================= Grid point 179 (85/115) ======================= q-point: (-0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 0.010 -0.404 0.935) 1.018 1.114 ( 1.074 -0.944 0.664) 1.577 1.147 ( 1.243 -0.083 -0.355) 1.296 1.255 ( -2.267 -1.224 0.995) 2.762 1.306 ( 1.251 2.813 -0.020) 3.079 1.335 ( 2.028 2.485 -0.512) 3.248 1.412 ( -1.883 2.432 2.911) 4.235 1.468 ( 0.295 5.500 2.026) 5.869 1.599 ( -0.423 -1.893 1.962) 2.759 1.685 ( 0.210 -1.529 -1.751) 2.334 1.734 ( 0.260 -1.057 -0.335) 1.138 1.767 ( -0.065 -0.801 -0.425) 0.909 1.809 ( 0.498 -4.321 -0.313) 4.361 1.958 ( 4.170 2.177 0.661) 4.750 2.066 ( -3.080 -3.268 -4.191) 6.142 2.158 ( -1.654 2.861 -1.651) 3.694 2.328 ( 2.550 1.877 0.414) 3.194 2.366 ( 3.557 3.473 1.370) 5.156 2.421 ( -0.068 1.070 -0.095) 1.076 2.466 ( 0.301 1.580 0.399) 1.657 2.528 ( 1.637 1.372 1.444) 2.579 2.562 ( 0.941 1.928 0.848) 2.307 2.625 ( 4.487 -0.790 -0.746) 4.617 2.800 ( -0.765 0.257 -0.959) 1.253 2.846 ( 0.015 1.975 -1.242) 2.333 3.041 ( -1.341 1.091 0.033) 1.729 3.153 ( -6.980 -1.776 2.304) 7.562 3.296 ( -3.837 0.209 0.048) 3.843 3.530 ( -1.263 4.943 1.458) 5.306 3.602 ( 1.284 5.303 0.750) 5.507 3.665 ( -0.112 2.487 0.505) 2.540 3.683 ( 0.111 1.957 -0.174) 1.968 3.732 ( -1.548 0.756 -0.723) 1.868 3.770 ( -0.154 1.429 0.663) 1.583 3.878 ( -1.094 1.871 0.964) 2.373 4.064 ( -4.184 7.475 -7.762) 11.559 4.228 ( 5.458 1.192 -1.298) 5.736 4.308 ( 1.980 1.498 0.580) 2.550 4.433 ( -1.728 2.202 0.898) 2.939 4.506 ( -0.412 -2.299 1.362) 2.704 4.626 ( 0.954 -3.280 3.843) 5.142 4.824 ( -0.289 -4.647 -2.614) 5.340 5.606 ( 2.073 0.478 4.498) 4.975 5.848 ( -0.411 -1.016 -3.118) 3.305 5.916 ( 1.986 4.617 -0.361) 5.039 6.158 ( -2.815 4.317 -2.423) 5.695 6.404 ( 0.214 5.332 -2.484) 5.886 6.471 ( -5.704 8.662 2.992) 10.794 7.743 ( 0.712 0.962 1.089) 1.618 7.899 ( -2.954 -1.009 -1.629) 3.521 7.949 ( -0.851 3.400 2.277) 4.179 8.010 ( -0.196 3.153 -1.366) 3.442 8.401 ( -0.860 1.022 0.563) 1.450 8.415 ( -0.420 2.020 -0.313) 2.087 8.717 ( -0.385 3.004 3.607) 4.710 8.881 ( 0.199 -0.464 -3.472) 3.508 8.984 ( 0.688 -0.511 0.497) 0.991 9.071 ( -0.406 -1.324 -1.615) 2.127 9.087 ( -0.109 0.168 1.218) 1.234 9.141 ( -0.037 -0.696 -1.152) 1.347 9.472 ( 1.633 -3.730 0.250) 4.080 9.487 ( 1.558 -2.985 -0.040) 3.367 9.535 ( 0.279 -3.248 0.192) 3.266 9.567 ( 0.352 -2.851 -0.273) 2.885 9.825 ( 0.747 0.016 1.385) 1.574 9.905 ( -0.238 -0.875 -0.904) 1.280 10.078 ( -0.084 -0.511 0.306) 0.602 10.119 ( -0.815 -0.610 -0.171) 1.032 10.154 ( 0.166 0.998 0.431) 1.100 10.190 ( 0.492 1.116 -0.467) 1.306 11.752 ( 2.078 -4.406 3.333) 5.903 11.939 ( 1.289 -7.679 -3.591) 8.575 15.384 ( 1.895 -2.343 1.718) 3.469 15.464 ( 0.670 -2.634 -0.092) 2.720 15.519 ( -2.269 -1.234 1.168) 2.834 15.615 ( -4.468 -1.927 -0.232) 4.871 16.310 ( 3.169 2.894 -0.313) 4.303 16.423 ( 0.569 2.176 -1.739) 2.843 ======================= Grid point 180 (86/115) ======================= q-point: (-0.22 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 0.608 2.470 3.299) 4.166 1.157 ( -0.692 1.136 1.017) 1.674 1.159 ( 1.683 -2.063 0.986) 2.839 1.213 ( -2.935 0.590 4.367) 5.294 1.254 ( -0.365 4.946 1.716) 5.248 1.340 ( 2.344 -0.881 -0.829) 2.638 1.367 ( 0.281 3.314 -0.126) 3.329 1.399 ( -0.272 1.474 -1.971) 2.476 1.644 ( -0.401 -1.192 3.173) 3.414 1.688 ( 0.971 0.239 -1.925) 2.169 1.766 ( 0.024 -2.396 0.240) 2.408 1.782 ( -0.353 -1.592 -0.083) 1.632 1.886 ( 1.662 -2.451 1.897) 3.517 1.980 ( 3.575 -0.705 0.111) 3.646 2.063 ( -3.090 3.007 -3.883) 5.803 2.079 ( -2.423 -1.939 -4.273) 5.281 2.307 ( 1.737 3.440 1.456) 4.120 2.341 ( 1.964 4.663 2.077) 5.470 2.375 ( -1.326 4.208 1.353) 4.615 2.422 ( -0.250 3.658 0.393) 3.687 2.488 ( -1.274 3.836 3.989) 5.679 2.550 ( 1.506 1.587 -0.576) 2.262 2.673 ( 2.493 0.473 -1.786) 3.103 2.756 ( -2.402 3.472 -1.706) 4.553 2.834 ( 3.914 -0.685 -0.416) 3.995 2.967 ( -5.637 2.277 0.209) 6.083 3.150 ( -0.578 0.315 3.260) 3.326 3.233 ( -2.284 3.316 -0.782) 4.101 3.427 ( -2.355 5.090 4.230) 7.025 3.514 ( -0.312 6.249 -1.637) 6.467 3.581 ( -1.442 6.129 1.754) 6.536 3.635 ( 0.551 4.251 -3.013) 5.240 3.707 ( 0.784 0.889 -0.747) 1.401 3.745 ( -1.208 1.077 0.162) 1.627 3.845 ( -1.037 1.089 -0.387) 1.552 3.892 ( -2.249 4.395 -6.035) 7.797 4.254 ( 3.554 0.716 -1.139) 3.800 4.294 ( -0.960 1.099 0.369) 1.506 4.386 ( 0.667 2.991 1.954) 3.634 4.478 ( -2.432 2.353 -1.468) 3.688 4.746 ( 1.672 -5.628 6.038) 8.422 4.890 ( 0.187 -4.421 -4.023) 5.980 5.646 ( 1.792 -0.287 8.632) 8.821 5.826 ( 0.910 3.268 -1.476) 3.700 5.859 ( 0.317 2.530 -2.603) 3.644 6.041 ( -4.091 3.170 -6.272) 8.132 6.236 ( -5.567 12.991 3.652) 14.597 6.260 ( 0.659 10.499 -4.285) 11.358 7.740 ( 1.049 1.119 2.518) 2.949 7.867 ( -2.915 0.383 -3.159) 4.316 7.882 ( -1.423 4.079 3.286) 5.428 7.949 ( 0.554 3.293 -2.718) 4.306 8.348 ( -0.448 4.201 0.262) 4.233 8.362 ( -0.799 3.622 -0.266) 3.719 8.699 ( 0.269 0.879 7.419) 7.476 8.889 ( 0.784 -1.946 -6.061) 6.414 8.998 ( 0.609 -0.121 0.883) 1.080 9.073 ( -0.671 -0.143 -1.201) 1.383 9.085 ( -0.195 0.297 0.588) 0.687 9.137 ( -0.466 0.298 -1.620) 1.712 9.567 ( 0.895 -5.505 0.445) 5.595 9.574 ( 1.608 -5.411 -0.241) 5.650 9.611 ( 0.811 -4.748 0.345) 4.829 9.632 ( 0.453 -4.359 -0.437) 4.405 9.845 ( 0.654 -0.658 2.689) 2.844 9.917 ( -0.248 -1.329 -1.809) 2.259 10.087 ( 0.104 -0.258 0.700) 0.753 10.117 ( -0.693 -0.139 -0.570) 0.908 10.137 ( 0.080 1.387 0.807) 1.606 10.168 ( 0.037 1.567 -0.909) 1.812 11.896 ( 2.194 -7.676 6.916) 10.562 12.094 ( 1.598 -10.719 -6.914) 12.856 15.476 ( 3.073 -4.747 1.740) 5.917 15.520 ( -0.889 -3.315 1.390) 3.703 15.547 ( 0.210 -3.332 0.214) 3.345 15.618 ( -4.158 -3.740 -1.048) 5.690 16.270 ( 2.818 5.271 0.316) 5.985 16.354 ( -0.858 5.070 -2.186) 5.587 ======================= Grid point 181 (87/115) ======================= q-point: (-0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 1.314 10.420 8.974) 13.814 1.083 ( -3.026 7.404 3.560) 8.755 1.131 ( 2.504 7.113 1.403) 7.671 1.233 ( -0.326 2.477 -2.716) 3.691 1.265 ( 1.710 -2.794 0.519) 3.316 1.300 ( -0.926 -2.397 -1.052) 2.776 1.375 ( 0.589 -1.363 -1.272) 1.955 1.400 ( -0.823 -2.325 -2.694) 3.653 1.651 ( -0.154 1.092 4.412) 4.548 1.697 ( 1.481 -0.287 -0.928) 1.771 1.802 ( 0.443 -2.116 0.849) 2.323 1.814 ( 0.539 -1.232 0.042) 1.345 1.921 ( 2.005 0.441 1.705) 2.669 1.963 ( -3.617 1.958 -2.776) 4.963 2.041 ( 0.762 -0.759 1.438) 1.796 2.080 ( -0.033 0.128 -3.000) 3.003 2.200 ( -1.378 8.561 9.470) 12.841 2.287 ( 1.293 1.852 0.162) 2.265 2.332 ( 0.543 2.112 1.162) 2.471 2.356 ( -0.853 3.116 -1.385) 3.515 2.419 ( -1.621 4.264 3.866) 5.980 2.517 ( 1.760 3.122 -5.285) 6.386 2.642 ( 0.221 3.722 -0.583) 3.774 2.659 ( -0.541 4.798 -1.931) 5.200 2.902 ( -2.381 -1.561 1.705) 3.319 2.919 ( 3.325 -1.774 -0.112) 3.770 3.110 ( -3.985 3.296 2.438) 5.717 3.155 ( 3.210 4.403 -2.648) 6.058 3.323 ( -2.497 8.255 1.032) 8.686 3.366 ( 2.782 10.880 -4.114) 11.959 3.506 ( -0.329 0.186 5.806) 5.818 3.608 ( 1.112 -1.905 -4.586) 5.089 3.709 ( 0.789 0.324 0.028) 0.853 3.720 ( -1.110 -0.092 -0.578) 1.255 3.812 ( -1.108 1.810 -0.695) 2.233 3.827 ( -0.285 1.719 -2.676) 3.193 4.248 ( -2.447 0.728 1.739) 3.089 4.283 ( 2.251 -0.155 -1.783) 2.876 4.358 ( 2.541 3.439 2.091) 4.760 4.398 ( -2.159 3.489 -2.099) 4.608 4.858 ( 0.224 -4.272 5.080) 6.641 4.941 ( -0.147 -3.330 -3.972) 5.185 5.695 ( -0.963 -0.724 9.727) 9.801 5.781 ( 3.374 3.548 1.848) 5.233 5.808 ( 0.839 3.386 -1.151) 3.673 5.944 ( -1.853 2.873 -8.523) 9.183 5.994 ( -3.061 11.673 3.245) 12.496 6.084 ( 1.322 7.974 -8.026) 11.391 7.746 ( 1.651 0.999 3.784) 4.248 7.812 ( -1.461 3.360 3.381) 4.986 7.825 ( -1.766 0.751 -3.475) 3.970 7.896 ( 1.121 2.807 -4.127) 5.116 8.276 ( 0.237 4.107 0.655) 4.166 8.289 ( -0.193 3.858 -0.795) 3.944 8.736 ( 0.089 -1.117 9.737) 9.801 8.912 ( 0.516 -2.612 -8.731) 9.128 9.008 ( 0.347 0.107 2.385) 2.412 9.062 ( -0.374 0.370 -0.726) 0.897 9.074 ( -0.376 0.833 0.196) 0.935 9.117 ( 0.057 0.914 -2.159) 2.345 9.664 ( -0.011 -5.129 0.446) 5.148 9.672 ( 0.100 -5.090 -0.477) 5.113 9.697 ( 0.194 -4.450 0.510) 4.484 9.706 ( -0.243 -4.424 -0.512) 4.460 9.874 ( 0.351 -0.908 3.543) 3.674 9.930 ( -0.393 -1.392 -2.485) 2.875 10.090 ( 0.266 0.427 0.957) 1.081 10.105 ( -0.304 0.790 -0.144) 0.859 10.119 ( 0.299 1.151 0.231) 1.211 10.135 ( -0.231 1.744 -1.144) 2.098 12.068 ( 0.380 -7.574 9.699) 12.311 12.248 ( -0.245 -9.643 -9.518) 13.552 15.561 ( -1.234 -3.116 2.300) 4.065 15.591 ( 1.389 -4.098 0.037) 4.327 15.620 ( 0.778 -4.377 1.335) 4.641 15.654 ( -1.697 -4.432 -1.667) 5.030 16.200 ( 2.634 6.238 0.963) 6.840 16.237 ( -1.875 5.728 -2.771) 6.633 ======================= Grid point 184 (88/115) ======================= q-point: ( 0.22 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 5.827 0.000 -5.043) 7.706 1.087 ( 5.350 0.000 3.223) 6.246 1.161 ( 10.052 0.000 -6.409) 11.922 1.220 ( -0.261 -0.000 0.650) 0.701 1.263 ( 1.291 0.000 0.517) 1.391 1.302 ( -3.137 -0.000 -1.789) 3.611 1.335 ( -0.020 -0.000 4.791) 4.791 1.389 ( -2.346 -0.000 1.731) 2.915 1.675 ( -1.136 -0.000 -1.524) 1.901 1.712 ( 0.210 0.000 2.285) 2.295 1.793 ( -1.910 -0.000 0.209) 1.922 1.800 ( -1.695 -0.000 -0.408) 1.743 1.911 ( -0.725 -0.000 1.520) 1.684 1.967 ( 1.579 0.000 -2.723) 3.148 2.050 ( 1.168 0.000 -0.784) 1.407 2.057 ( -4.210 -0.000 4.176) 5.930 2.242 ( 5.263 0.000 -4.330) 6.816 2.313 ( 2.570 0.000 2.733) 3.752 2.314 ( 1.735 0.000 -1.317) 2.178 2.384 ( 3.197 0.000 0.417) 3.224 2.420 ( 5.176 0.000 -7.134) 8.814 2.520 ( 4.051 0.000 4.448) 6.016 2.610 ( 0.585 0.000 1.434) 1.549 2.680 ( 4.925 0.000 0.027) 4.925 2.863 ( -3.797 -0.000 -0.195) 3.802 2.962 ( 0.915 0.000 0.825) 1.232 3.057 ( 3.782 0.000 -2.944) 4.793 3.256 ( 3.476 0.000 4.042) 5.331 3.306 ( 10.616 0.000 -2.956) 11.020 3.421 ( 9.925 0.000 2.685) 10.281 3.536 ( -0.203 -0.000 -6.736) 6.739 3.598 ( 0.658 0.000 6.713) 6.745 3.690 ( -0.649 -0.000 -0.302) 0.715 3.748 ( 0.278 0.000 0.112) 0.299 3.780 ( 2.640 0.000 -0.898) 2.788 3.843 ( 2.148 0.000 0.234) 2.161 4.202 ( -2.027 -0.000 -1.198) 2.354 4.307 ( -0.930 -0.000 1.014) 1.376 4.373 ( 3.924 0.000 2.680) 4.752 4.463 ( 5.870 0.000 -1.753) 6.127 4.865 ( -3.713 -0.000 -4.946) 6.184 4.902 ( -4.144 -0.000 4.723) 6.283 5.667 ( -1.523 -0.000 -8.017) 8.160 5.769 ( -0.050 -0.000 6.113) 6.113 5.801 ( 2.134 0.000 2.265) 3.112 5.881 ( 1.570 0.000 4.108) 4.398 6.118 ( 13.511 0.000 -7.298) 15.356 6.156 ( 13.383 0.000 3.763) 13.902 7.744 ( -1.497 -0.000 3.925) 4.201 7.803 ( 1.044 0.000 -4.879) 4.990 7.812 ( 3.391 0.000 -3.605) 4.950 7.922 ( 4.108 0.000 3.815) 5.606 8.291 ( 4.173 0.000 -0.686) 4.229 8.291 ( 3.537 0.000 0.722) 3.610 8.763 ( -1.746 -0.000 -8.939) 9.108 8.868 ( -1.601 -0.000 9.725) 9.856 9.026 ( -0.145 -0.000 0.196) 0.244 9.045 ( 0.774 0.000 -0.506) 0.924 9.106 ( 1.527 0.000 -2.715) 3.115 9.144 ( 1.540 0.000 2.184) 2.672 9.638 ( -6.109 -0.000 0.323) 6.117 9.639 ( -6.094 -0.000 -0.114) 6.095 9.689 ( -3.605 -0.000 0.108) 3.607 9.702 ( -3.127 -0.000 -0.352) 3.147 9.904 ( -0.284 -0.000 -3.007) 3.021 9.916 ( -1.583 -0.000 2.650) 3.087 10.109 ( 0.606 0.000 -0.173) 0.631 10.110 ( 0.831 0.000 0.659) 1.061 10.117 ( 1.262 0.000 -0.918) 1.560 10.129 ( 1.006 0.000 0.566) 1.154 12.089 ( -7.392 -0.000 -9.437) 11.987 12.164 ( -9.619 -0.000 9.465) 13.495 15.524 ( -6.827 -0.000 0.145) 6.829 15.583 ( -3.039 -0.000 0.692) 3.117 15.607 ( -3.189 -0.000 2.308) 3.936 15.643 ( -1.685 -0.000 -2.373) 2.910 16.204 ( 3.443 0.000 0.157) 3.447 16.299 ( 7.870 0.000 -0.807) 7.911 ======================= Grid point 185 (89/115) ======================= q-point: ( 0.33 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 0.025 -0.543 -1.000) 1.138 1.125 ( 0.554 -0.176 -1.266) 1.393 1.174 ( -1.471 0.317 -2.117) 2.597 1.235 ( 3.992 -0.668 -5.485) 6.816 1.245 ( 1.426 0.095 -0.846) 1.661 1.313 ( 0.446 -3.736 -0.491) 3.794 1.384 ( 2.388 0.461 4.295) 4.936 1.420 ( 4.780 -1.475 2.697) 5.683 1.656 ( -1.453 -0.066 -1.430) 2.039 1.708 ( 0.648 1.504 2.270) 2.799 1.753 ( -2.206 0.801 -1.068) 2.579 1.778 ( -2.122 0.900 0.372) 2.335 1.956 ( -0.039 -0.973 -1.380) 1.689 1.963 ( -1.672 -1.194 0.019) 2.055 2.023 ( -4.649 -0.298 4.910) 6.768 2.047 ( 2.222 -0.104 -0.012) 2.224 2.310 ( 3.229 -2.136 -0.007) 3.872 2.332 ( 2.369 -1.287 0.046) 2.697 2.382 ( 1.493 -3.879 0.913) 4.256 2.425 ( 3.914 -0.447 -0.713) 4.003 2.478 ( 5.984 -2.172 -5.169) 8.200 2.550 ( 1.788 0.085 2.875) 3.387 2.655 ( 0.412 -3.510 0.954) 3.661 2.723 ( 3.379 -0.212 0.380) 3.407 2.856 ( -2.963 -3.365 0.246) 4.490 2.927 ( 3.038 4.982 -1.460) 6.015 3.122 ( 1.806 -3.103 -1.785) 4.010 3.243 ( 2.782 4.681 2.366) 5.937 3.433 ( 7.478 -2.880 -2.543) 8.407 3.503 ( 4.463 -0.744 0.517) 4.554 3.563 ( 5.259 -3.971 -3.233) 7.340 3.645 ( 3.630 -0.221 2.622) 4.484 3.712 ( -0.261 -2.405 0.927) 2.591 3.741 ( 1.868 0.373 0.711) 2.033 3.820 ( 1.536 -1.587 -0.738) 2.329 3.871 ( 3.081 -0.642 1.945) 3.700 4.215 ( -1.376 -3.745 -0.293) 4.000 4.294 ( 0.356 0.798 0.838) 1.211 4.429 ( 2.179 -1.341 2.238) 3.399 4.492 ( 4.813 2.040 -1.771) 5.519 4.791 ( -3.766 2.402 -5.660) 7.211 4.861 ( -4.996 1.503 4.694) 7.018 5.634 ( 0.041 0.165 -6.219) 6.221 5.791 ( -2.019 -0.511 8.915) 9.155 5.884 ( 2.619 -5.951 1.100) 6.594 5.942 ( 2.437 -4.235 1.948) 5.260 6.239 ( 12.848 -1.766 -5.844) 14.225 6.297 ( 13.242 0.063 1.455) 13.322 7.759 ( -1.292 -1.761 2.980) 3.695 7.786 ( 1.219 0.620 -2.884) 3.192 7.862 ( 3.442 -2.520 -3.868) 5.758 7.972 ( 3.353 -0.388 2.178) 4.017 8.337 ( 3.722 -1.071 -0.124) 3.875 8.345 ( 3.730 -1.564 0.341) 4.060 8.726 ( 0.089 -0.079 -7.170) 7.171 8.874 ( -1.279 1.076 8.187) 8.356 9.025 ( 0.499 0.316 -1.298) 1.426 9.051 ( 0.059 -0.027 2.021) 2.022 9.110 ( 0.594 -0.232 -2.707) 2.782 9.160 ( 0.709 0.174 1.293) 1.485 9.558 ( -6.008 1.919 0.090) 6.308 9.576 ( -5.915 0.943 0.195) 5.992 9.636 ( -3.358 2.304 0.125) 4.074 9.650 ( -2.994 2.203 -0.441) 3.744 9.886 ( -0.032 0.756 -2.517) 2.628 9.909 ( -1.608 0.009 2.041) 2.599 10.096 ( 0.200 0.990 -0.427) 1.097 10.104 ( -0.004 0.904 0.458) 1.014 10.145 ( 1.332 -1.172 -0.722) 1.916 10.156 ( 0.807 -1.390 0.803) 1.797 11.963 ( -6.159 3.496 -7.535) 10.341 12.066 ( -10.004 3.400 7.521) 12.970 15.459 ( -5.206 0.558 1.280) 5.390 15.531 ( -2.896 2.824 0.937) 4.152 15.605 ( -3.364 -1.930 1.486) 4.153 15.623 ( -2.173 -0.440 -1.301) 2.571 16.255 ( 3.270 -2.090 -0.317) 3.894 16.341 ( 6.717 2.561 -1.841) 7.420 ======================= Grid point 186 (90/115) ======================= q-point: ( 0.44 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -0.413 1.271 -0.782) 1.549 1.106 ( -0.525 0.952 -0.369) 1.148 1.172 ( 0.136 1.540 -1.270) 2.001 1.222 ( -1.579 -1.449 0.456) 2.191 1.310 ( 1.155 -3.963 -4.856) 6.373 1.367 ( 1.715 0.023 -0.494) 1.785 1.443 ( 5.325 -2.266 0.711) 5.831 1.473 ( 4.732 0.614 2.173) 5.244 1.637 ( -1.402 0.535 -2.084) 2.568 1.696 ( -0.135 1.503 2.083) 2.572 1.726 ( -1.175 0.626 -0.431) 1.399 1.753 ( -1.141 -0.226 0.489) 1.261 1.869 ( -2.096 4.564 -2.256) 5.506 1.957 ( -6.865 -1.101 4.778) 8.436 2.058 ( 3.292 0.101 -1.174) 3.496 2.104 ( 1.467 -3.779 3.121) 5.116 2.349 ( 2.253 0.023 0.672) 2.352 2.384 ( 0.699 -1.501 2.219) 2.769 2.450 ( 3.496 0.640 -0.163) 3.558 2.465 ( 1.532 -3.550 -0.298) 3.878 2.546 ( 4.840 -0.884 -1.910) 5.278 2.587 ( 1.807 -1.116 0.219) 2.135 2.700 ( 1.704 0.191 -1.279) 2.139 2.757 ( -0.159 -1.857 1.477) 2.378 2.863 ( 3.301 3.831 -1.645) 5.318 2.926 ( -3.524 -6.452 1.789) 7.566 3.143 ( 0.112 2.264 -3.052) 3.802 3.189 ( -2.665 0.091 1.483) 3.051 3.542 ( 8.515 -2.485 -2.898) 9.331 3.593 ( 3.930 -4.518 0.895) 6.054 3.675 ( 2.260 -3.160 -0.964) 4.003 3.677 ( 2.191 -1.151 0.135) 2.478 3.727 ( 1.440 0.043 -1.293) 1.936 3.779 ( 0.241 -1.443 0.862) 1.698 3.855 ( 1.943 -1.483 -1.910) 3.102 3.966 ( 4.370 -4.622 6.241) 8.911 4.283 ( 1.040 -3.455 0.406) 3.631 4.298 ( 2.394 0.360 0.969) 2.608 4.464 ( 0.685 -0.255 -0.080) 0.735 4.481 ( 2.096 1.958 -0.496) 2.911 4.682 ( -3.116 4.067 -5.689) 7.656 4.793 ( -5.847 1.878 3.787) 7.216 5.621 ( 1.896 0.559 -3.432) 3.961 5.801 ( -3.487 -0.521 8.204) 8.930 6.010 ( 5.577 -3.188 -2.104) 6.760 6.085 ( 1.959 -9.005 3.009) 9.694 6.371 ( 7.990 -2.495 -2.717) 8.800 6.403 ( 8.481 -1.119 -1.670) 8.716 7.772 ( 1.394 0.520 -1.954) 2.456 7.805 ( -1.919 -3.004 2.511) 4.360 7.928 ( 3.304 -2.819 -3.229) 5.412 8.014 ( 1.971 -1.076 0.578) 2.319 8.381 ( 1.724 -0.730 -0.334) 1.902 8.401 ( 1.931 -1.276 0.706) 2.420 8.728 ( 2.540 -0.958 -4.445) 5.208 8.870 ( -0.779 0.846 5.564) 5.681 9.013 ( 0.446 1.164 -1.135) 1.686 9.056 ( -0.917 0.074 2.383) 2.554 9.104 ( -0.353 -0.028 -2.365) 2.391 9.157 ( -0.372 0.903 0.736) 1.223 9.476 ( -3.805 1.841 0.121) 4.229 9.504 ( -3.970 1.712 0.267) 4.332 9.562 ( -2.395 2.803 -0.346) 3.702 9.584 ( -2.286 2.315 -0.044) 3.253 9.864 ( 0.523 1.170 -1.788) 2.199 9.899 ( -1.354 0.075 1.356) 1.918 10.079 ( -0.081 0.828 -0.508) 0.975 10.094 ( -0.869 -0.023 0.543) 1.025 10.169 ( 1.367 -0.391 -0.694) 1.582 10.187 ( 0.558 -1.133 0.697) 1.443 11.825 ( -3.288 4.572 -4.837) 7.424 11.933 ( -8.059 3.983 4.730) 10.158 15.419 ( -3.154 0.089 1.702) 3.585 15.458 ( -1.768 3.402 1.403) 4.083 15.580 ( -1.713 1.440 -1.523) 2.707 15.620 ( -4.233 -1.789 2.191) 5.092 16.325 ( 2.803 -2.704 -1.009) 4.023 16.347 ( 4.905 1.841 -2.348) 5.741 ======================= Grid point 187 (91/115) ======================= q-point: ( 0.56 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 1.057 0.774 -0.042) 1.310 1.100 ( 0.706 0.000 -0.381) 0.802 1.153 ( -0.146 -0.147 -0.564) 0.601 1.219 ( -2.609 -0.505 0.362) 2.682 1.362 ( 1.896 0.821 -1.364) 2.476 1.370 ( 0.401 -2.130 -1.402) 2.581 1.488 ( 6.888 2.083 1.217) 7.298 1.554 ( 3.261 -1.353 -0.597) 3.580 1.603 ( -0.876 -0.072 -0.372) 0.955 1.659 ( -2.204 1.855 0.740) 2.974 1.698 ( -1.613 1.513 0.690) 2.317 1.755 ( -0.026 -0.178 0.149) 0.234 1.785 ( -0.970 2.362 -0.630) 2.630 1.936 ( -6.511 -2.633 2.136) 7.341 2.065 ( 3.899 2.145 -0.681) 4.502 2.172 ( -0.350 -2.142 1.412) 2.589 2.360 ( 1.464 0.847 1.043) 1.988 2.406 ( 0.010 -0.382 1.845) 1.884 2.482 ( 4.313 0.769 0.392) 4.398 2.510 ( 2.144 -0.141 -0.703) 2.261 2.584 ( 4.799 1.566 -0.833) 5.116 2.605 ( 3.614 1.702 -0.700) 4.055 2.689 ( 3.108 2.477 -0.521) 4.008 2.777 ( -1.754 -1.214 0.081) 2.134 2.857 ( 1.084 -0.253 0.010) 1.114 2.993 ( -7.209 -6.331 1.180) 9.667 3.078 ( 0.459 2.557 -1.524) 3.012 3.193 ( -5.628 -3.775 0.340) 6.785 3.638 ( 6.718 -0.146 -0.888) 6.778 3.683 ( 1.849 -1.440 0.164) 2.349 3.698 ( 1.968 -0.727 -0.379) 2.132 3.713 ( 0.317 0.137 -0.045) 0.348 3.737 ( 1.031 0.497 -0.546) 1.268 3.798 ( -0.808 -0.844 0.182) 1.183 3.902 ( 3.008 -1.465 -1.859) 3.827 4.099 ( -0.867 -5.214 4.116) 6.699 4.306 ( 5.234 2.069 1.340) 5.786 4.349 ( 1.599 -0.701 0.647) 1.862 4.450 ( 0.301 0.921 -1.927) 2.157 4.470 ( 0.214 1.125 -0.803) 1.399 4.593 ( -1.352 1.266 -2.196) 2.872 4.726 ( -5.657 -0.052 1.537) 5.863 5.630 ( 3.479 0.776 -0.162) 3.569 5.801 ( -3.651 -1.151 4.241) 5.713 6.067 ( 6.742 2.560 -1.829) 7.440 6.238 ( 0.794 -4.381 1.434) 4.678 6.414 ( 3.275 0.379 -1.416) 3.588 6.509 ( 0.423 -4.806 -1.502) 5.053 7.770 ( 1.404 0.672 -0.763) 1.733 7.838 ( -2.488 -2.554 0.958) 3.692 7.986 ( 2.375 -1.447 -1.651) 3.234 8.045 ( 0.077 -1.096 -0.194) 1.115 8.393 ( 0.075 -0.201 -0.102) 0.238 8.423 ( -0.446 -0.426 0.580) 0.847 8.762 ( 2.833 -0.530 -1.397) 3.202 8.869 ( -1.116 -0.192 2.225) 2.497 8.992 ( 0.619 1.183 -0.576) 1.454 9.047 ( -1.413 0.090 0.943) 1.701 9.095 ( 0.019 0.214 -0.895) 0.921 9.133 ( -0.998 0.900 0.128) 1.350 9.437 ( -0.408 0.502 0.156) 0.666 9.463 ( -0.504 0.454 0.421) 0.798 9.505 ( -1.396 1.601 -0.570) 2.200 9.535 ( -1.748 1.066 -0.008) 2.047 9.848 ( 0.991 1.124 -0.659) 1.637 9.891 ( -1.079 -0.107 0.455) 1.175 10.068 ( -0.072 0.198 -0.132) 0.249 10.091 ( -1.113 -0.625 0.164) 1.287 10.180 ( 1.207 0.319 -0.190) 1.263 10.205 ( 0.289 -0.363 0.190) 0.502 11.734 ( -0.028 2.777 -1.740) 3.277 11.835 ( -4.744 1.124 1.531) 5.110 15.398 ( -0.406 1.813 2.050) 2.766 15.414 ( -0.983 -0.082 1.132) 1.501 15.531 ( -1.530 1.781 -0.676) 2.444 15.599 ( -4.354 0.027 1.369) 4.565 16.352 ( 3.795 0.804 -1.750) 4.255 16.398 ( 1.388 -2.898 -1.586) 3.583 ======================= Grid point 188 (92/115) ======================= q-point: (-0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 1.732 0.133 0.541) 1.819 1.106 ( 0.258 -0.400 -0.062) 0.480 1.154 ( -0.110 0.140 -0.233) 0.293 1.205 ( -2.628 -1.068 -0.768) 2.939 1.357 ( 0.928 1.324 1.858) 2.463 1.382 ( 0.142 0.499 -0.725) 0.891 1.483 ( 3.771 5.526 0.034) 6.690 1.551 ( -0.835 3.050 0.021) 3.162 1.594 ( -0.069 0.987 2.578) 2.761 1.648 ( 0.844 -2.581 -0.498) 2.761 1.708 ( 1.045 -2.329 0.283) 2.568 1.758 ( -0.688 -0.207 -0.254) 0.762 1.771 ( 1.428 -1.056 0.437) 1.829 1.929 ( -5.930 -3.767 -2.320) 7.398 2.066 ( 4.023 2.444 0.537) 4.738 2.169 ( -2.213 1.167 -0.930) 2.669 2.369 ( 1.898 0.345 0.507) 1.995 2.411 ( -0.141 0.135 -0.286) 0.346 2.485 ( 2.706 2.972 0.217) 4.026 2.506 ( 1.103 2.534 -0.071) 2.764 2.595 ( 4.388 2.288 0.879) 5.026 2.609 ( 3.439 2.389 0.788) 4.261 2.681 ( 3.720 1.595 0.357) 4.063 2.779 ( -1.947 -1.128 -0.679) 2.350 2.864 ( 0.544 0.285 -0.689) 0.923 2.978 ( -8.164 -2.060 -2.264) 8.719 3.099 ( 1.870 -2.388 2.612) 4.003 3.204 ( -5.491 -3.859 0.021) 6.712 3.645 ( 3.221 5.043 0.223) 5.988 3.681 ( -0.271 2.827 0.399) 2.868 3.700 ( 1.138 1.572 0.092) 1.943 3.714 ( 0.212 1.299 -0.155) 1.326 3.734 ( 0.940 0.217 0.409) 1.048 3.786 ( -0.940 0.830 -0.255) 1.280 3.914 ( 0.930 2.443 1.774) 3.159 4.086 ( -5.398 2.582 -4.895) 7.730 4.318 ( 4.523 2.769 -0.207) 5.308 4.357 ( 1.660 1.537 0.115) 2.266 4.443 ( -0.771 0.378 1.197) 1.473 4.472 ( 0.972 -1.171 0.638) 1.650 4.597 ( 0.752 -2.186 1.806) 2.934 4.720 ( -3.273 -4.572 -1.860) 5.923 5.659 ( 4.216 0.807 3.176) 5.339 5.800 ( -2.993 -1.854 -0.652) 3.580 6.048 ( 5.408 6.077 -0.207) 8.137 6.204 ( -3.073 5.074 -3.085) 6.686 6.452 ( 2.216 -0.346 -0.197) 2.252 6.517 ( -4.407 1.816 1.089) 4.889 7.772 ( 1.561 0.731 0.727) 1.870 7.846 ( -2.668 -1.392 -1.020) 3.178 7.998 ( 0.704 1.792 0.749) 2.066 8.037 ( -1.384 1.125 -0.675) 1.907 8.401 ( 0.188 -0.438 0.526) 0.710 8.423 ( -0.593 -0.267 -0.376) 0.751 8.773 ( 1.620 1.932 1.781) 3.087 8.863 ( -1.268 -0.307 -1.799) 2.222 8.991 ( 1.180 0.103 0.748) 1.401 9.041 ( -0.954 -0.848 -0.814) 1.514 9.092 ( 0.206 0.147 0.607) 0.658 9.123 ( -0.530 -0.653 -0.953) 1.271 9.447 ( 1.150 -1.042 0.277) 1.577 9.473 ( 0.951 -0.199 -0.220) 0.996 9.490 ( -0.559 -2.021 0.337) 2.124 9.524 ( -1.068 -1.579 -0.393) 1.946 9.843 ( 1.115 0.595 0.698) 1.444 9.886 ( -0.937 -0.493 -0.574) 1.205 10.072 ( 0.297 -0.398 0.245) 0.554 10.093 ( -1.061 -0.865 -0.209) 1.385 10.180 ( 0.927 0.957 0.423) 1.398 10.205 ( -0.128 0.492 -0.368) 0.627 11.730 ( 1.923 -1.294 1.544) 2.785 11.827 ( -1.971 -4.047 -1.850) 4.867 15.391 ( 1.060 0.018 2.728) 2.927 15.430 ( 0.059 -1.754 0.158) 1.762 15.498 ( -0.657 0.594 0.447) 0.992 15.557 ( -3.967 0.028 -0.246) 3.974 16.369 ( 2.721 0.839 -0.273) 2.860 16.430 ( -0.070 -0.716 -2.258) 2.370 ======================= Grid point 189 (93/115) ======================= q-point: (-0.22 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 1.359 -0.304 1.475) 2.029 1.119 ( -0.839 -1.339 -1.379) 2.097 1.168 ( 1.257 -0.906 1.645) 2.260 1.193 ( -1.876 -1.017 -0.862) 2.301 1.321 ( -3.128 2.855 4.111) 5.902 1.377 ( 1.695 1.575 -0.728) 2.426 1.434 ( 1.047 4.525 -0.033) 4.645 1.452 ( 1.142 4.207 -1.926) 4.766 1.630 ( 0.370 -1.115 3.935) 4.107 1.688 ( 0.982 -1.234 -2.009) 2.554 1.737 ( 0.346 -0.899 0.620) 1.145 1.754 ( -0.554 -0.733 -0.879) 1.272 1.858 ( 3.879 -4.422 3.147) 6.671 1.940 ( -4.964 -5.547 -5.226) 9.095 2.055 ( 2.392 3.423 1.210) 4.348 2.092 ( -2.679 3.839 -2.448) 5.283 2.373 ( 1.274 1.829 0.557) 2.298 2.394 ( -0.273 1.585 -1.538) 2.225 2.452 ( 0.453 2.980 0.909) 3.148 2.462 ( 0.183 2.809 -0.315) 2.832 2.572 ( 1.143 4.107 1.790) 4.623 2.590 ( 0.674 2.001 -0.350) 2.140 2.716 ( 3.521 0.761 1.405) 3.867 2.753 ( -3.160 0.491 -2.312) 3.946 2.879 ( 3.611 0.316 1.140) 3.799 2.913 ( -5.552 0.071 -2.385) 6.043 3.172 ( 2.125 -1.206 3.615) 4.363 3.216 ( -0.931 -2.393 -1.226) 2.845 3.553 ( 1.788 8.422 2.867) 9.074 3.592 ( -1.483 5.711 -1.251) 6.031 3.670 ( -0.855 3.634 1.004) 3.866 3.685 ( 0.787 1.792 -0.498) 2.019 3.735 ( 1.303 1.363 1.132) 2.199 3.760 ( -0.846 1.388 -1.019) 1.919 3.871 ( -0.244 3.296 2.097) 3.914 3.944 ( -2.404 5.911 -6.281) 8.954 4.303 ( -1.284 2.535 0.463) 2.879 4.318 ( 1.085 2.447 -1.104) 2.896 4.442 ( 2.173 1.158 1.961) 3.148 4.476 ( -1.351 0.604 -1.607) 2.185 4.692 ( 1.874 -4.961 5.564) 7.686 4.781 ( -1.658 -6.113 -4.148) 7.571 5.699 ( 3.246 0.842 6.067) 6.932 5.802 ( -1.580 -2.232 -5.035) 5.730 5.984 ( 4.215 6.980 1.881) 8.368 6.052 ( -4.991 5.923 -5.109) 9.278 6.385 ( -4.666 8.807 3.000) 10.408 6.424 ( 3.281 6.883 -1.277) 7.731 7.781 ( 2.088 0.888 2.276) 3.214 7.829 ( -2.435 -0.333 -2.714) 3.662 7.954 ( -0.397 3.989 2.739) 4.855 7.991 ( -0.686 2.447 -1.223) 2.821 8.399 ( 0.323 1.637 0.409) 1.718 8.408 ( 0.174 1.962 -0.662) 2.078 8.754 ( 1.045 2.503 4.884) 5.587 8.850 ( -0.356 -0.726 -5.336) 5.397 9.008 ( 1.051 -0.206 1.530) 1.868 9.046 ( -0.700 -1.078 -2.327) 2.658 9.095 ( -0.210 0.076 1.944) 1.957 9.127 ( -0.263 -0.527 -1.531) 1.641 9.494 ( 0.261 -3.642 0.358) 3.669 9.503 ( 0.075 -3.581 -0.607) 3.633 9.546 ( 0.475 -3.841 0.864) 3.966 9.560 ( -0.600 -3.702 -0.698) 3.814 9.854 ( 0.857 -0.108 1.935) 2.119 9.886 ( -0.892 -1.020 -1.536) 2.048 10.086 ( 0.739 -0.527 0.587) 1.081 10.097 ( -0.744 -0.787 -0.563) 1.221 10.169 ( 0.510 1.440 0.906) 1.776 10.186 ( -0.508 1.133 -0.838) 1.498 11.818 ( 1.529 -5.668 4.744) 7.548 11.910 ( -1.230 -8.704 -5.096) 10.161 15.436 ( 0.339 -3.058 2.904) 4.231 15.465 ( -0.649 -2.796 -0.194) 2.877 15.509 ( 1.130 -1.204 1.410) 2.171 15.539 ( -1.201 -1.909 -1.816) 2.896 16.365 ( 1.966 2.743 0.836) 3.477 16.398 ( -1.668 2.568 -2.669) 4.062 ======================= Grid point 190 (94/115) ======================= q-point: (-0.11 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -0.978 1.237 -0.363) 1.618 1.134 ( 1.735 0.210 0.843) 1.941 1.164 ( -2.352 -1.373 2.400) 3.630 1.240 ( 2.199 -1.005 -1.262) 2.728 1.261 ( -0.072 1.408 5.077) 5.269 1.327 ( -3.964 1.369 1.162) 4.352 1.373 ( 3.347 4.440 -4.392) 7.085 1.413 ( 1.923 3.819 -1.433) 4.509 1.649 ( -0.812 -0.769 2.058) 2.343 1.704 ( 1.326 -0.428 -2.219) 2.621 1.763 ( -0.157 -2.303 0.477) 2.357 1.782 ( 0.495 -2.350 -0.258) 2.415 1.952 ( -3.864 0.783 -4.244) 5.793 1.973 ( 3.877 -1.830 4.414) 6.153 1.998 ( -3.377 -3.127 -2.720) 5.346 2.042 ( 1.632 1.396 0.688) 2.256 2.325 ( -1.636 3.391 -0.197) 3.770 2.353 ( 1.287 3.418 0.488) 3.685 2.389 ( -1.504 3.536 -0.261) 3.851 2.422 ( 1.779 4.256 0.467) 4.637 2.506 ( 0.223 5.450 3.992) 6.760 2.563 ( 1.694 1.673 -3.325) 4.090 2.677 ( -3.432 2.070 -1.546) 4.295 2.728 ( 2.397 2.899 0.463) 3.790 2.838 ( -5.081 -0.761 -0.633) 5.176 2.956 ( 6.522 -0.154 0.978) 6.596 3.156 ( -1.075 3.499 1.981) 4.163 3.260 ( 5.969 1.642 -2.326) 6.613 3.449 ( 0.510 7.706 3.971) 8.684 3.506 ( 2.033 3.345 -1.705) 4.270 3.567 ( -1.475 7.226 2.698) 7.853 3.637 ( 1.562 4.986 -3.876) 6.505 3.706 ( -1.612 1.173 -0.703) 2.114 3.741 ( 2.356 0.792 0.127) 2.489 3.829 ( -0.377 1.897 1.059) 2.205 3.852 ( 0.419 2.461 -1.588) 2.958 4.236 ( -3.919 1.217 0.528) 4.138 4.305 ( 1.234 0.561 -0.684) 1.519 4.426 ( -0.550 2.845 -2.056) 3.553 4.447 ( 2.845 2.634 1.671) 4.222 4.801 ( -0.041 -4.526 5.662) 7.249 4.848 ( -1.513 -5.299 -4.910) 7.381 5.724 ( 0.421 1.044 7.424) 7.509 5.813 ( 0.767 -2.172 -7.453) 7.801 5.898 ( -3.881 4.424 -5.297) 7.918 5.937 ( 5.172 5.114 3.252) 7.967 6.186 ( -1.924 12.043 3.813) 12.778 6.293 ( 4.746 12.124 -2.340) 13.229 7.795 ( 0.031 0.600 -0.522) 0.795 7.802 ( 1.288 0.696 0.530) 1.557 7.886 ( -0.905 4.524 3.816) 5.987 7.941 ( 0.649 2.799 -2.517) 3.820 8.354 ( 0.513 3.933 -0.237) 3.973 8.359 ( 1.129 4.152 -0.052) 4.304 8.758 ( 0.343 0.352 7.523) 7.539 8.846 ( -0.192 -1.727 -8.225) 8.407 9.023 ( 0.404 0.151 2.111) 2.155 9.044 ( -0.335 -0.444 -2.834) 2.888 9.097 ( 0.059 0.473 2.413) 2.459 9.122 ( 0.174 0.285 -1.613) 1.648 9.570 ( -0.924 -5.380 0.242) 5.464 9.576 ( -1.155 -5.436 -0.477) 5.578 9.618 ( -0.933 -4.488 -0.068) 4.585 9.623 ( -0.498 -4.628 0.155) 4.657 9.874 ( 0.348 -0.689 2.739) 2.846 9.892 ( -0.844 -1.422 -2.243) 2.787 10.100 ( -0.004 -0.354 -0.392) 0.528 10.104 ( 0.836 -0.145 0.457) 0.964 10.149 ( -0.102 1.586 0.653) 1.719 10.156 ( -0.245 1.492 -0.721) 1.675 11.960 ( -0.860 -8.053 7.388) 10.962 12.034 ( -2.515 -10.358 -7.711) 13.156 15.486 ( -2.870 -3.841 1.137) 4.928 15.514 ( -2.731 -4.193 0.795) 5.067 15.568 ( 2.850 -3.129 -0.279) 4.242 15.595 ( 3.311 -3.740 0.263) 5.002 16.300 ( -2.530 5.143 -2.717) 6.343 16.321 ( 1.638 4.971 1.093) 5.347 ======================= Grid point 194 (95/115) ======================= q-point: ( 0.33 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -0.579 -0.000 -0.130) 0.594 1.126 ( -0.311 -0.000 -0.827) 0.884 1.161 ( 0.445 0.000 -1.516) 1.580 1.226 ( 0.783 0.000 -5.859) 5.911 1.257 ( -1.604 -0.000 -0.329) 1.638 1.277 ( 0.751 0.000 -0.915) 1.184 1.449 ( 6.546 0.000 3.234) 7.301 1.456 ( 5.794 0.000 1.998) 6.129 1.642 ( -1.288 -0.000 -0.844) 1.540 1.721 ( -1.296 -0.000 1.021) 1.650 1.759 ( -1.187 -0.000 1.521) 1.930 1.760 ( -1.690 -0.000 -0.763) 1.855 1.912 ( -0.498 -0.000 1.776) 1.845 1.972 ( -5.331 -0.000 4.867) 7.219 1.993 ( 0.588 0.000 -1.746) 1.843 2.030 ( -1.133 -0.000 -1.572) 1.938 2.308 ( 1.739 0.000 0.315) 1.767 2.346 ( 0.190 0.000 1.080) 1.096 2.369 ( 3.025 0.000 1.980) 3.615 2.444 ( 2.502 0.000 -0.143) 2.506 2.514 ( 7.108 0.000 -2.976) 7.706 2.588 ( 1.498 0.000 1.249) 1.950 2.614 ( -1.327 -0.000 3.328) 3.583 2.750 ( 2.452 0.000 -0.820) 2.586 2.812 ( -0.896 -0.000 0.286) 0.941 2.979 ( 0.953 0.000 -2.924) 3.076 3.145 ( 5.945 0.000 -0.858) 6.006 3.319 ( 0.797 0.000 2.984) 3.088 3.481 ( 6.723 0.000 -0.140) 6.724 3.547 ( 7.177 0.000 -6.834) 9.910 3.558 ( 4.295 0.000 0.409) 4.315 3.681 ( 0.102 0.000 -0.055) 0.116 3.684 ( 1.249 0.000 2.440) 2.741 3.758 ( 0.321 0.000 0.683) 0.755 3.828 ( 3.567 0.000 -1.789) 3.991 3.908 ( 4.437 0.000 2.636) 5.161 4.163 ( -1.777 -0.000 0.957) 2.018 4.281 ( -1.935 -0.000 -0.020) 1.935 4.465 ( 3.528 0.000 2.881) 4.555 4.549 ( 4.209 0.000 -1.868) 4.605 4.761 ( -2.841 -0.000 -5.721) 6.387 4.836 ( -6.115 -0.000 4.362) 7.511 5.631 ( 2.493 0.000 -4.056) 4.761 5.792 ( -2.911 -0.000 8.194) 8.696 5.854 ( 1.574 0.000 2.327) 2.809 5.923 ( 1.045 0.000 1.206) 1.596 6.341 ( 13.599 0.000 -6.477) 15.063 6.430 ( 12.436 0.000 -0.175) 12.437 7.739 ( -1.754 -0.000 3.780) 4.167 7.793 ( 1.241 0.000 -4.442) 4.612 7.869 ( 4.628 0.000 -2.939) 5.483 7.999 ( 1.934 0.000 0.162) 1.941 8.367 ( 3.618 0.000 0.890) 3.725 8.373 ( 4.370 0.000 -0.258) 4.377 8.713 ( 2.142 0.000 -5.284) 5.702 8.897 ( -1.702 -0.000 7.706) 7.892 9.030 ( 0.670 0.000 0.184) 0.695 9.060 ( 0.266 0.000 1.410) 1.435 9.099 ( -0.487 -0.000 -3.095) 3.133 9.169 ( 0.150 0.000 0.316) 0.350 9.519 ( -6.065 -0.000 0.249) 6.070 9.523 ( -5.511 -0.000 0.270) 5.518 9.625 ( -3.088 -0.000 0.334) 3.106 9.637 ( -3.006 -0.000 -0.805) 3.112 9.884 ( 0.268 0.000 -2.482) 2.497 9.897 ( -2.017 -0.000 2.043) 2.871 10.115 ( 0.066 0.000 0.129) 0.145 10.124 ( 0.387 0.000 -0.165) 0.420 10.135 ( 0.879 0.000 -0.155) 0.893 10.145 ( 0.439 0.000 0.273) 0.517 11.914 ( -4.553 -0.000 -6.416) 7.867 12.016 ( -10.842 -0.000 6.616) 12.701 15.420 ( -4.288 -0.000 1.963) 4.716 15.525 ( -3.520 -0.000 1.148) 3.703 15.564 ( -2.837 -0.000 2.219) 3.601 15.596 ( -1.369 -0.000 -2.262) 2.644 16.273 ( 3.682 0.000 -0.036) 3.683 16.414 ( 4.894 0.000 -2.701) 5.590 ======================= Grid point 195 (96/115) ======================= q-point: ( 0.44 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -0.387 0.275 -0.107) 0.487 1.122 ( -0.271 0.712 0.143) 0.775 1.165 ( -0.049 -0.009 -1.283) 1.284 1.213 ( -1.416 -0.328 -1.924) 2.412 1.253 ( 0.687 -1.330 -2.430) 2.854 1.316 ( 0.372 -3.624 -0.800) 3.730 1.503 ( 5.112 0.644 2.053) 5.546 1.533 ( 4.679 -0.772 0.192) 4.746 1.628 ( 0.033 0.126 -0.846) 0.856 1.701 ( -1.957 0.224 -0.501) 2.032 1.738 ( -0.148 0.977 0.899) 1.336 1.750 ( -0.270 0.592 1.164) 1.334 1.884 ( -6.633 1.140 3.511) 7.591 1.928 ( -1.500 3.945 -1.986) 4.665 2.008 ( -0.239 -5.649 4.057) 6.959 2.090 ( 2.501 -3.670 -2.012) 4.875 2.348 ( 1.488 -2.548 0.418) 2.980 2.378 ( 0.704 -2.321 1.480) 2.841 2.411 ( 0.946 -2.203 3.011) 3.849 2.469 ( 1.361 -0.480 -0.157) 1.452 2.567 ( 2.161 -1.022 0.917) 2.560 2.585 ( 1.956 0.193 0.827) 2.132 2.662 ( -0.269 -3.398 1.426) 3.695 2.761 ( 0.764 0.289 -0.982) 1.277 2.833 ( 0.436 -2.100 0.664) 2.245 2.955 ( 1.032 2.318 -3.825) 4.590 3.162 ( 2.846 3.146 0.426) 4.264 3.275 ( 0.142 6.073 0.136) 6.077 3.550 ( 3.597 -3.025 1.459) 4.921 3.598 ( 6.069 -1.248 -2.333) 6.621 3.638 ( 4.165 -3.037 -2.304) 5.647 3.685 ( 1.237 -0.021 0.244) 1.261 3.711 ( -0.536 -1.876 -0.074) 1.952 3.765 ( -0.337 -0.689 0.319) 0.830 3.864 ( 5.233 -0.309 -3.246) 6.166 3.966 ( 1.944 -1.558 3.877) 4.609 4.201 ( -0.348 -4.919 1.702) 5.217 4.287 ( -0.946 -2.614 -0.513) 2.827 4.493 ( 2.647 1.361 2.668) 3.997 4.554 ( 2.717 2.603 -1.449) 4.032 4.700 ( -1.028 2.681 -5.501) 6.205 4.773 ( -7.008 1.512 3.565) 8.007 5.651 ( 4.613 0.460 -1.962) 5.034 5.782 ( -5.077 -0.027 8.246) 9.683 5.935 ( 1.425 -6.762 1.885) 7.163 5.987 ( 1.687 -5.849 -0.497) 6.108 6.430 ( 10.331 0.993 -5.311) 11.658 6.509 ( 7.521 2.100 -1.771) 8.007 7.750 ( -1.773 -1.798 3.237) 4.105 7.789 ( 1.376 0.213 -3.364) 3.640 7.917 ( 4.235 -1.533 -2.801) 5.304 8.010 ( 0.209 -0.481 -1.192) 1.302 8.400 ( 2.671 0.265 0.306) 2.701 8.413 ( 2.497 -0.270 0.648) 2.594 8.736 ( 4.622 -0.511 -3.070) 5.573 8.891 ( -2.549 0.926 5.729) 6.338 9.033 ( 0.659 0.851 0.204) 1.096 9.060 ( -0.696 0.521 1.729) 1.936 9.086 ( -0.429 -0.532 -2.540) 2.630 9.164 ( -0.709 0.361 -0.380) 0.882 9.460 ( -3.850 0.736 0.252) 3.928 9.478 ( -4.018 0.087 0.360) 4.035 9.581 ( -2.179 2.047 0.061) 2.990 9.596 ( -2.059 1.501 -0.496) 2.595 9.876 ( 0.376 0.424 -1.409) 1.519 9.887 ( -1.550 -0.219 1.058) 1.889 10.096 ( -0.166 1.288 0.231) 1.319 10.104 ( 0.021 1.595 -0.256) 1.616 10.163 ( 0.718 -1.521 -0.157) 1.689 10.169 ( 0.265 -1.479 0.193) 1.515 11.844 ( -1.456 2.453 -4.588) 5.403 11.917 ( -9.270 2.171 4.814) 10.669 15.397 ( -2.290 -0.107 2.577) 3.449 15.482 ( -2.779 1.677 0.737) 3.328 15.559 ( -2.661 -1.495 2.269) 3.803 15.580 ( -0.838 0.109 -1.819) 2.006 16.315 ( 2.869 -1.084 0.156) 3.071 16.419 ( 3.085 2.248 -3.491) 5.173 ======================= Grid point 196 (97/115) ======================= q-point: ( 0.56 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 1.503 0.806 0.004) 1.705 1.105 ( 0.479 0.226 1.157) 1.272 1.152 ( -0.072 0.575 -2.023) 2.104 1.188 ( -2.629 -0.238 0.093) 2.641 1.306 ( 1.902 -3.607 -2.572) 4.821 1.356 ( -1.952 -2.451 -1.489) 3.469 1.553 ( 1.955 -1.507 2.834) 3.758 1.569 ( 3.466 0.439 0.252) 3.503 1.625 ( 1.857 1.573 -0.500) 2.485 1.676 ( -1.358 1.084 -0.153) 1.744 1.725 ( 1.952 1.361 -0.268) 2.395 1.754 ( -0.380 -0.049 1.426) 1.476 1.809 ( -4.137 1.724 0.150) 4.485 1.852 ( -3.723 1.461 0.213) 4.005 2.101 ( 1.460 -2.598 1.204) 3.214 2.142 ( 0.814 -1.200 0.140) 1.457 2.391 ( 1.190 0.207 1.683) 2.072 2.410 ( 0.094 -0.245 2.493) 2.506 2.494 ( 1.183 -4.154 0.333) 4.332 2.501 ( 1.559 -2.019 0.205) 2.559 2.609 ( 1.943 -2.109 0.130) 2.870 2.628 ( 2.047 -2.450 0.369) 3.214 2.710 ( -0.135 -1.950 0.242) 1.969 2.752 ( -0.906 0.359 -0.232) 1.002 2.869 ( -1.073 -1.761 0.666) 2.167 2.908 ( 1.021 2.894 -2.244) 3.802 3.123 ( -1.079 1.974 0.674) 2.349 3.158 ( -0.669 6.031 -1.101) 6.167 3.647 ( 1.911 -4.071 0.367) 4.512 3.671 ( 2.051 -2.625 -1.000) 3.479 3.696 ( 2.109 -0.632 0.147) 2.207 3.712 ( 1.696 -1.309 0.581) 2.220 3.738 ( 0.077 -1.645 -0.580) 1.746 3.770 ( -1.375 -0.834 0.024) 1.609 3.925 ( 8.423 -0.868 -4.206) 9.455 4.009 ( -4.648 -3.392 3.163) 6.566 4.303 ( 0.643 -5.432 1.678) 5.722 4.336 ( 0.902 -2.906 -0.566) 3.095 4.488 ( 1.290 2.254 1.538) 3.018 4.514 ( 1.078 3.530 -0.565) 3.734 4.630 ( 2.123 3.764 -3.834) 5.777 4.684 ( -7.217 1.740 2.039) 7.699 5.688 ( 6.057 0.864 -0.195) 6.121 5.757 ( -5.757 -0.575 5.350) 7.880 6.087 ( 2.743 -7.208 0.219) 7.715 6.123 ( 0.612 -8.277 0.537) 8.317 6.465 ( 3.750 1.503 -2.901) 4.974 6.494 ( 1.768 3.159 -2.741) 4.541 7.778 ( -1.473 -2.145 1.654) 3.083 7.791 ( 1.056 0.002 -1.477) 1.816 7.976 ( 3.312 -2.052 -2.284) 4.516 8.014 ( -1.615 -1.274 -1.046) 2.307 8.409 ( 1.575 0.983 -0.011) 1.856 8.422 ( -0.572 0.610 1.026) 1.323 8.788 ( 5.425 -0.382 -1.279) 5.587 8.860 ( -3.991 0.548 2.874) 4.949 9.019 ( 0.814 1.197 -0.130) 1.454 9.041 ( -1.317 0.771 0.576) 1.631 9.094 ( 0.845 -0.366 -0.334) 0.980 9.139 ( -1.432 1.045 -0.582) 1.865 9.434 ( -0.691 -0.152 0.372) 0.799 9.453 ( -1.662 -0.320 0.171) 1.701 9.529 ( -0.603 2.341 0.057) 2.418 9.548 ( -1.239 2.120 -0.415) 2.490 9.870 ( 0.621 0.526 -0.547) 0.980 9.879 ( -1.063 0.016 0.336) 1.115 10.078 ( 0.133 0.839 -0.170) 0.866 10.082 ( -0.521 0.631 0.178) 0.837 10.188 ( 0.928 -0.646 -0.380) 1.193 10.192 ( -0.284 -1.185 0.356) 1.269 11.785 ( 1.783 3.189 -2.426) 4.386 11.817 ( -6.132 2.036 2.489) 6.924 15.396 ( -0.422 -0.314 2.061) 2.127 15.433 ( -1.641 1.685 0.918) 2.525 15.558 ( 0.432 1.352 -0.661) 1.566 15.564 ( -2.596 -0.417 1.524) 3.039 16.360 ( 1.158 -1.927 -0.406) 2.285 16.395 ( 1.692 1.591 -2.950) 3.755 ======================= Grid point 197 (98/115) ======================= q-point: (-0.33 -0.67 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -1.294 -0.087 0.199) 1.312 1.100 ( 1.929 0.767 -0.114) 2.079 1.163 ( 1.901 0.066 -0.050) 1.903 1.170 ( -2.414 -0.569 -0.496) 2.530 1.349 ( -2.235 -1.647 0.808) 2.892 1.378 ( 0.673 -1.511 -1.606) 2.305 1.574 ( -2.970 1.584 1.110) 3.544 1.589 ( 0.726 0.987 -0.327) 1.268 1.607 ( 1.805 0.469 1.242) 2.240 1.642 ( 1.216 1.680 -1.530) 2.577 1.731 ( 4.400 1.390 1.180) 4.762 1.741 ( -2.133 -0.439 -0.010) 2.178 1.787 ( 2.754 0.337 0.651) 2.850 1.812 ( -4.853 -1.564 -0.907) 5.179 2.130 ( 2.153 1.108 0.877) 2.575 2.153 ( -1.510 -0.448 -0.734) 1.737 2.392 ( 0.905 0.714 1.236) 1.690 2.412 ( -0.108 0.333 -0.160) 0.385 2.528 ( 0.414 0.499 0.251) 0.696 2.536 ( 0.201 0.016 -0.352) 0.405 2.662 ( 2.111 0.335 0.633) 2.229 2.679 ( -0.362 -0.631 -0.682) 0.997 2.722 ( 1.535 0.417 0.305) 1.620 2.733 ( -1.818 -0.304 -0.551) 1.924 2.873 ( -1.617 -0.303 0.117) 1.649 2.881 ( 0.996 -0.072 -0.622) 1.176 3.102 ( -2.046 -1.306 0.492) 2.477 3.108 ( 1.271 -0.847 0.020) 1.527 3.691 ( -0.551 -0.263 0.255) 0.662 3.698 ( 0.261 -0.224 -0.406) 0.532 3.726 ( 0.012 -0.194 0.361) 0.410 3.732 ( -0.214 0.093 -0.205) 0.311 3.758 ( 2.013 0.051 0.452) 2.064 3.772 ( -1.369 -0.901 -0.720) 1.790 3.998 ( 4.619 1.100 0.069) 4.749 4.003 ( -5.673 -2.119 -0.352) 6.066 4.367 ( -0.465 -0.489 0.796) 1.043 4.373 ( 0.998 -0.374 0.284) 1.103 4.468 ( 1.015 1.318 -0.175) 1.673 4.476 ( -0.566 0.692 -0.632) 1.095 4.611 ( 0.891 0.136 0.199) 0.923 4.618 ( -1.352 -0.404 -0.409) 1.469 5.731 ( -3.437 -1.147 1.341) 3.864 5.735 ( 4.751 0.792 1.197) 4.963 6.176 ( 4.647 1.361 -0.017) 4.842 6.205 ( -3.981 -0.701 -2.145) 4.576 6.450 ( 0.923 -1.253 0.960) 1.829 6.473 ( -3.098 -1.120 -0.962) 3.431 7.796 ( -0.314 -0.841 0.147) 0.909 7.799 ( 0.211 -0.508 -0.133) 0.566 8.012 ( -2.783 -1.259 -0.068) 3.055 8.021 ( 1.731 -0.619 -0.665) 1.955 8.404 ( -0.761 -0.057 0.421) 0.871 8.411 ( 1.134 0.378 -0.120) 1.201 8.825 ( -0.582 0.221 0.487) 0.790 8.831 ( 1.059 0.189 -0.197) 1.094 9.015 ( 1.249 0.550 0.295) 1.396 9.021 ( -1.060 0.304 -0.250) 1.131 9.103 ( 0.415 0.060 0.146) 0.444 9.110 ( -0.512 0.720 -0.520) 1.025 9.447 ( 0.517 -0.799 0.573) 1.110 9.456 ( -0.291 -0.989 -0.380) 1.099 9.497 ( 0.552 1.357 0.330) 1.502 9.506 ( -0.622 1.376 -0.548) 1.607 9.866 ( -0.386 0.131 0.210) 0.458 9.870 ( 0.243 0.459 -0.205) 0.558 10.073 ( 0.404 0.022 0.084) 0.413 10.075 ( -0.394 -0.245 -0.070) 0.469 10.199 ( 0.430 0.106 0.123) 0.460 10.201 ( -0.450 -0.249 -0.113) 0.526 11.761 ( -3.176 -0.419 0.009) 3.203 11.763 ( 3.390 1.920 -0.257) 3.904 15.405 ( -0.456 0.422 1.739) 1.847 15.414 ( 0.412 -0.492 0.735) 0.976 15.536 ( -1.802 1.232 0.288) 2.202 15.537 ( 1.919 2.112 0.142) 2.857 16.387 ( 0.608 -0.460 -0.902) 1.181 16.394 ( -0.743 -1.690 -1.530) 2.398 ======================= Grid point 198 (99/115) ======================= q-point: (-0.22 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -1.486 -0.398 -0.761) 1.716 1.114 ( 1.144 -0.064 -0.676) 1.330 1.154 ( -1.200 0.136 -0.031) 1.208 1.183 ( 2.292 -0.876 1.281) 2.768 1.333 ( -3.345 1.305 2.516) 4.385 1.384 ( -2.152 0.117 1.183) 2.458 1.489 ( -1.246 3.052 -2.052) 3.883 1.557 ( 2.861 4.015 -0.225) 4.935 1.629 ( 0.429 -0.822 -0.458) 1.034 1.666 ( 2.647 -1.515 -1.517) 3.407 1.722 ( -2.995 -1.257 -1.245) 3.479 1.750 ( 1.097 0.565 0.514) 1.337 1.794 ( -4.098 -2.917 -2.018) 5.420 1.862 ( 5.963 -2.032 4.070) 7.500 2.089 ( -4.000 2.605 -1.050) 4.887 2.149 ( 2.555 1.843 0.598) 3.206 2.390 ( -0.674 0.474 -1.159) 1.422 2.405 ( 1.137 0.255 -0.782) 1.403 2.485 ( -2.909 3.254 0.152) 4.368 2.512 ( -0.263 2.066 -0.448) 2.130 2.618 ( -2.753 2.132 -1.046) 3.636 2.632 ( -1.733 2.613 -1.267) 3.381 2.701 ( -3.904 0.248 -1.649) 4.245 2.763 ( 2.693 -0.551 0.991) 2.922 2.855 ( -2.135 0.323 -0.115) 2.162 2.938 ( 6.181 -1.187 2.064) 6.624 3.131 ( -0.833 -3.725 -0.923) 3.928 3.193 ( 5.683 -3.796 1.258) 6.948 3.650 ( -2.776 3.393 -0.226) 4.390 3.684 ( 0.244 3.296 0.317) 3.321 3.699 ( -0.641 1.636 0.032) 1.757 3.718 ( 0.463 1.460 -0.459) 1.599 3.745 ( -2.173 0.152 -0.697) 2.287 3.779 ( 1.389 0.733 0.291) 1.597 3.954 ( -4.123 0.256 -2.803) 4.993 3.989 ( 4.271 6.582 5.279) 9.457 4.316 ( -4.560 3.099 -0.082) 5.514 4.358 ( -1.318 1.841 0.177) 2.271 4.470 ( 1.331 0.062 -0.935) 1.628 4.479 ( 1.710 -0.779 -0.791) 2.039 4.641 ( -2.831 -5.892 -2.738) 7.087 4.673 ( 4.151 -1.903 3.206) 5.579 5.718 ( -3.921 -2.473 -3.060) 5.555 5.775 ( 5.132 1.679 2.499) 5.950 6.084 ( -5.871 5.370 -3.921) 8.870 6.146 ( 3.604 6.384 2.170) 7.645 6.440 ( -3.717 1.615 1.334) 4.267 6.510 ( 2.675 -0.663 1.659) 3.217 7.793 ( -1.819 -0.547 -1.477) 2.407 7.820 ( 2.551 0.109 1.577) 3.001 7.999 ( -2.065 0.093 0.396) 2.104 8.018 ( 0.378 2.393 1.556) 2.879 8.413 ( 0.204 -0.936 -0.842) 1.275 8.421 ( 1.408 0.230 -0.029) 1.427 8.813 ( -1.965 -1.034 -2.304) 3.200 8.830 ( 2.472 2.742 1.648) 4.043 9.013 ( -1.022 -0.967 -1.474) 2.038 9.024 ( 1.474 0.248 0.876) 1.733 9.098 ( -0.565 0.120 0.280) 0.642 9.110 ( 0.358 -0.514 -0.033) 0.628 9.455 ( -1.143 -1.090 -0.385) 1.626 9.469 ( 0.222 -0.319 -0.020) 0.390 9.501 ( -0.395 -2.193 -0.636) 2.318 9.512 ( 1.234 -1.277 0.732) 1.921 9.858 ( -1.351 -0.472 -0.799) 1.639 9.871 ( 1.025 0.429 0.962) 1.470 10.078 ( -0.316 -0.677 -0.393) 0.844 10.088 ( 1.095 -0.582 0.405) 1.304 10.189 ( -1.042 0.555 -0.416) 1.252 10.196 ( 0.200 0.873 0.467) 1.010 11.768 ( -2.193 -4.061 -2.387) 5.196 11.791 ( 2.783 -1.306 1.819) 3.572 15.409 ( -0.701 -0.728 1.821) 2.083 15.424 ( -1.152 -0.673 -0.040) 1.335 15.512 ( 0.621 -0.290 -1.144) 1.334 15.543 ( 4.164 0.964 1.242) 4.451 16.387 ( -2.576 -0.093 -1.963) 3.240 16.401 ( 0.297 -0.155 0.490) 0.593 ======================= Grid point 199 (100/115) ======================= q-point: (-0.11 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -0.969 -1.093 -0.743) 1.639 1.133 ( 0.683 -0.834 0.100) 1.083 1.138 ( -1.416 -0.346 -0.739) 1.634 1.244 ( 1.869 -2.116 2.235) 3.601 1.278 ( -2.873 1.832 2.027) 3.964 1.326 ( -3.060 2.575 0.914) 4.102 1.462 ( 3.749 2.090 -3.243) 5.379 1.511 ( 1.723 4.828 -0.985) 5.220 1.642 ( 0.251 -0.478 0.950) 1.093 1.684 ( -0.524 -0.935 -2.863) 3.057 1.733 ( 0.034 -1.742 -1.109) 2.065 1.758 ( 0.299 -0.908 0.515) 1.086 1.824 ( -2.986 -5.652 -2.864) 7.005 1.961 ( -0.355 -0.967 2.068) 2.310 1.998 ( 0.531 1.178 1.127) 1.715 2.120 ( 0.893 4.229 2.251) 4.873 2.349 ( -2.002 2.146 -1.548) 3.318 2.389 ( -2.934 2.644 -1.013) 4.078 2.415 ( 0.651 0.628 -0.304) 0.955 2.479 ( 0.246 1.627 -0.685) 1.782 2.567 ( -1.147 1.302 -2.132) 2.749 2.586 ( -0.301 0.895 -1.377) 1.670 2.645 ( -4.433 0.588 -2.494) 5.120 2.782 ( 1.126 0.896 1.018) 1.763 2.821 ( -0.615 2.031 0.981) 2.338 3.013 ( 3.591 -0.471 2.629) 4.476 3.190 ( 4.243 -1.264 -1.155) 4.575 3.300 ( 4.561 -1.176 -0.412) 4.728 3.557 ( -0.480 3.767 -1.412) 4.051 3.607 ( 1.056 5.812 0.688) 5.947 3.664 ( -0.082 3.087 1.077) 3.271 3.692 ( -0.382 1.959 -1.308) 2.387 3.720 ( 0.183 1.315 0.201) 1.343 3.774 ( 0.748 1.008 0.217) 1.274 3.901 ( 0.375 2.825 -1.928) 3.441 3.925 ( 3.208 7.199 6.366) 10.131 4.218 ( -5.132 1.950 -0.278) 5.497 4.313 ( -1.866 1.047 0.034) 2.140 4.462 ( 1.287 1.769 -2.111) 3.040 4.508 ( 2.489 0.623 0.782) 2.682 4.709 ( -2.560 -6.556 -4.737) 8.484 4.757 ( 1.140 -3.120 4.660) 5.723 5.716 ( -2.800 -3.050 -7.026) 8.156 5.787 ( 1.915 2.246 3.705) 4.737 5.940 ( -2.692 4.746 -3.004) 6.229 6.090 ( 4.159 5.322 4.228) 7.969 6.352 ( -0.648 7.306 3.001) 7.925 6.498 ( 4.298 6.545 0.017) 7.830 7.776 ( -1.189 -0.026 -2.423) 2.699 7.852 ( 3.190 0.310 3.067) 4.436 7.968 ( -0.258 4.217 2.982) 5.171 7.976 ( -0.223 1.493 -0.406) 1.563 8.409 ( 0.905 1.945 -0.481) 2.199 8.421 ( 1.248 1.512 -0.663) 2.070 8.799 ( -0.433 0.044 -3.704) 3.729 8.812 ( 1.164 1.928 2.345) 3.251 9.015 ( -0.685 -0.819 -2.583) 2.795 9.039 ( 0.883 -0.139 1.514) 1.758 9.097 ( -0.726 -0.563 0.945) 1.318 9.123 ( 0.394 -0.325 0.147) 0.531 9.479 ( -1.663 -3.644 -0.416) 4.027 9.490 ( -1.114 -3.005 -0.273) 3.216 9.542 ( -0.630 -3.213 -0.512) 3.314 9.557 ( -0.104 -2.944 0.736) 3.036 9.854 ( -1.163 -1.011 -1.585) 2.210 9.880 ( 0.536 -0.096 1.747) 1.830 10.087 ( 0.026 -0.754 -0.637) 0.987 10.111 ( 1.152 -0.525 0.598) 1.400 10.164 ( -0.785 0.972 -0.557) 1.368 10.179 ( -0.201 1.298 0.632) 1.457 11.829 ( -2.982 -7.273 -4.375) 8.996 11.867 ( 0.030 -4.850 3.657) 6.074 15.408 ( -2.758 -1.863 -0.623) 3.386 15.445 ( -1.171 -2.355 1.818) 3.197 15.545 ( 2.143 -1.952 -1.590) 3.307 15.596 ( 4.618 -1.482 1.884) 5.203 16.330 ( -3.043 2.569 -2.445) 4.673 16.394 ( 0.376 2.029 1.264) 2.420 ======================= Grid point 204 (101/115) ======================= q-point: ( 0.44 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -0.675 -0.000 0.681) 0.958 1.118 ( 0.060 0.000 -0.763) 0.765 1.176 ( -0.748 -0.000 0.210) 0.777 1.177 ( -1.236 -0.000 -2.520) 2.807 1.246 ( 1.582 0.000 0.004) 1.582 1.293 ( 0.652 0.000 -1.713) 1.832 1.535 ( 1.473 0.000 -0.189) 1.485 1.550 ( -0.170 -0.000 0.859) 0.876 1.647 ( 3.722 0.000 -0.399) 3.744 1.685 ( -1.992 -0.000 0.371) 2.026 1.740 ( 0.617 0.000 -0.850) 1.050 1.757 ( -1.574 -0.000 1.279) 2.028 1.895 ( -4.975 -0.000 8.336) 9.708 1.913 ( -0.613 -0.000 2.486) 2.560 2.013 ( 2.600 0.000 -4.912) 5.558 2.014 ( 1.222 0.000 -3.065) 3.300 2.337 ( 1.475 0.000 -0.311) 1.508 2.343 ( -1.269 -0.000 1.133) 1.701 2.429 ( 0.782 0.000 4.248) 4.319 2.477 ( 1.043 0.000 0.086) 1.047 2.571 ( -0.966 -0.000 3.432) 3.566 2.609 ( 0.338 0.000 -0.042) 0.341 2.642 ( 1.925 0.000 3.628) 4.107 2.762 ( 0.079 0.000 -2.610) 2.611 2.836 ( 2.021 0.000 1.080) 2.292 2.951 ( -1.180 -0.000 -4.477) 4.630 3.248 ( 4.484 0.000 0.746) 4.546 3.328 ( -1.359 -0.000 0.315) 1.395 3.555 ( 2.062 0.000 1.135) 2.354 3.605 ( 0.693 0.000 -1.105) 1.305 3.650 ( 3.433 0.000 -1.510) 3.751 3.679 ( -1.730 -0.000 0.532) 1.810 3.709 ( 3.221 0.000 -0.797) 3.318 3.749 ( -1.457 -0.000 -0.090) 1.460 3.915 ( 8.083 0.000 -4.469) 9.236 3.963 ( -2.352 -0.000 2.037) 3.112 4.163 ( 0.779 0.000 2.640) 2.752 4.242 ( -1.492 -0.000 -1.206) 1.918 4.540 ( 1.768 0.000 3.069) 3.542 4.592 ( 1.223 0.000 -1.000) 1.580 4.710 ( 2.145 0.000 -4.749) 5.211 4.729 ( -7.216 -0.000 2.961) 7.800 5.707 ( 6.791 0.000 -0.775) 6.835 5.756 ( -6.296 -0.000 7.359) 9.685 5.887 ( 0.208 0.000 2.411) 2.420 5.940 ( 1.008 0.000 -1.897) 2.149 6.517 ( 8.012 0.000 -4.740) 9.309 6.569 ( 2.117 0.000 -2.497) 3.273 7.729 ( -1.755 -0.000 3.548) 3.959 7.792 ( 1.650 0.000 -4.104) 4.423 7.936 ( 3.676 0.000 -1.843) 4.112 7.995 ( -1.473 -0.000 -1.938) 2.434 8.429 ( 1.797 0.000 0.860) 1.992 8.436 ( 1.781 0.000 0.193) 1.791 8.779 ( 6.688 0.000 -1.407) 6.834 8.877 ( -5.586 -0.000 3.964) 6.849 9.051 ( -0.801 -0.000 2.946) 3.053 9.069 ( 0.704 0.000 -2.451) 2.550 9.071 ( 1.335 0.000 0.318) 1.372 9.152 ( -1.427 -0.000 -1.529) 2.091 9.435 ( -2.231 -0.000 0.398) 2.266 9.447 ( -2.522 -0.000 0.259) 2.535 9.583 ( -1.378 -0.000 0.305) 1.411 9.590 ( -1.077 -0.000 -0.720) 1.295 9.870 ( -1.974 -0.000 1.752) 2.640 9.883 ( 1.107 0.000 -1.851) 2.157 10.115 ( -0.239 -0.000 0.501) 0.555 10.124 ( -0.092 -0.000 -0.271) 0.287 10.147 ( 0.543 0.000 -0.160) 0.566 10.151 ( 0.149 0.000 -0.105) 0.182 11.851 ( 1.819 0.000 -3.819) 4.230 11.865 ( -8.075 -0.000 4.188) 9.097 15.394 ( -0.363 -0.000 3.382) 3.402 15.471 ( -2.289 -0.000 -0.012) 2.289 15.533 ( -1.700 -0.000 1.952) 2.588 15.567 ( 0.022 0.000 -2.147) 2.147 16.337 ( 2.309 0.000 1.444) 2.724 16.443 ( 0.619 0.000 -4.220) 4.265 ======================= Grid point 205 (102/115) ======================= q-point: (-0.44 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -0.365 -1.020 1.687) 2.004 1.127 ( -0.194 -0.875 -0.866) 1.246 1.151 ( 0.256 0.549 -0.345) 0.697 1.167 ( -0.397 0.580 -1.741) 1.878 1.280 ( 0.354 -1.540 -0.039) 1.581 1.294 ( -0.233 -1.304 -1.493) 1.996 1.543 ( -1.327 -1.215 2.052) 2.729 1.562 ( -1.089 -1.976 0.078) 2.258 1.656 ( -2.373 1.029 0.961) 2.760 1.676 ( 1.744 0.591 -0.789) 2.003 1.741 ( -2.122 -0.070 0.998) 2.346 1.754 ( 2.274 -0.225 -0.655) 2.377 1.826 ( -0.373 3.689 4.462) 5.802 1.913 ( 2.674 4.307 -4.088) 6.513 2.034 ( -0.192 -5.951 3.476) 6.894 2.110 ( 1.861 -4.371 -4.110) 6.282 2.369 ( -0.887 -3.886 1.281) 4.187 2.383 ( 0.530 -3.614 -0.069) 3.653 2.446 ( -0.406 -0.736 3.631) 3.727 2.484 ( 0.331 -0.214 -0.216) 0.450 2.578 ( -1.420 -1.188 3.263) 3.752 2.616 ( 0.079 -0.896 -0.372) 0.973 2.688 ( 1.567 -1.421 3.353) 3.965 2.746 ( -0.511 0.268 -3.025) 3.080 2.861 ( 1.011 -0.352 1.653) 1.970 2.920 ( -1.306 0.125 -4.347) 4.541 3.216 ( 0.433 6.775 2.397) 7.199 3.257 ( -0.709 5.826 -1.849) 6.154 3.596 ( 0.002 -3.104 1.645) 3.513 3.623 ( -0.748 -2.556 -1.295) 2.962 3.680 ( -2.030 -2.214 1.064) 3.187 3.691 ( 0.189 -2.012 0.030) 2.021 3.728 ( 0.224 0.054 0.362) 0.429 3.745 ( 0.403 -0.763 -1.122) 1.415 3.933 ( -5.858 -0.450 0.937) 5.950 3.986 ( 9.114 -0.731 -5.085) 10.463 4.228 ( 1.404 -4.663 2.153) 5.325 4.264 ( -0.582 -4.128 -1.706) 4.504 4.539 ( -0.567 2.015 2.716) 3.429 4.570 ( -0.845 2.627 0.425) 2.792 4.657 ( -6.117 1.793 1.671) 6.590 4.712 ( 5.608 2.458 -3.408) 7.007 5.711 ( -6.771 0.157 5.142) 8.504 5.769 ( 7.829 0.766 -0.703) 7.897 5.957 ( -0.724 -7.098 2.606) 7.596 6.001 ( 0.851 -6.686 -2.105) 7.061 6.528 ( -2.537 2.700 -2.106) 4.261 6.538 ( 1.851 2.475 -3.264) 4.495 7.737 ( -1.658 -1.452 3.035) 3.751 7.797 ( 1.774 -0.179 -3.283) 3.736 7.970 ( 0.275 -0.923 -1.266) 1.591 7.972 ( -0.822 -0.860 -1.481) 1.900 8.432 ( -0.828 0.915 0.840) 1.493 8.440 ( 0.779 0.651 0.072) 1.018 8.820 ( -7.105 0.148 2.034) 7.391 8.845 ( 7.245 0.134 -0.454) 7.261 9.034 ( -1.872 0.896 1.796) 2.744 9.063 ( 1.898 1.297 -1.412) 2.698 9.099 ( 1.256 -0.392 1.041) 1.678 9.132 ( -0.909 0.040 -1.958) 2.159 9.430 ( 0.451 -0.192 0.514) 0.710 9.435 ( -0.546 -0.281 0.036) 0.615 9.562 ( -0.066 1.607 0.377) 1.652 9.571 ( 0.113 1.473 -0.679) 1.626 9.860 ( -1.717 -0.236 1.503) 2.294 9.888 ( 1.427 0.218 -1.434) 2.034 10.093 ( -0.402 1.418 0.599) 1.591 10.105 ( 0.382 1.656 -0.624) 1.810 10.164 ( -0.621 -1.607 0.644) 1.839 10.176 ( 0.637 -1.508 -0.650) 1.761 11.800 ( -5.204 1.399 3.087) 6.210 11.855 ( 5.163 2.187 -2.823) 6.277 15.408 ( 1.293 0.271 2.952) 3.234 15.443 ( -1.036 1.104 -0.675) 1.658 15.536 ( -1.166 -0.881 2.083) 2.544 15.573 ( 1.337 -0.565 -1.846) 2.348 16.357 ( 0.612 0.116 1.763) 1.870 16.412 ( -1.037 1.283 -3.933) 4.265 ======================= Grid point 206 (103/115) ======================= q-point: (-0.33 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -1.655 0.659 1.038) 2.061 1.116 ( -2.969 -0.339 -0.145) 2.992 1.142 ( 1.863 0.745 -0.744) 2.140 1.191 ( 3.383 -0.438 -0.477) 3.444 1.280 ( -3.921 -2.692 0.277) 4.764 1.347 ( 1.670 -2.432 -0.664) 3.024 1.551 ( -4.088 -0.823 2.465) 4.844 1.587 ( -2.198 -1.900 -0.298) 2.921 1.605 ( -2.849 1.323 0.732) 3.225 1.672 ( 1.517 0.579 -0.093) 1.626 1.721 ( -0.754 1.222 0.352) 1.478 1.765 ( 0.393 0.533 0.054) 0.664 1.805 ( 1.393 1.601 0.529) 2.187 1.885 ( 8.004 2.967 -2.688) 8.949 2.111 ( -1.474 -2.470 0.511) 2.922 2.152 ( 1.172 -0.915 -1.051) 1.821 2.406 ( -1.293 -0.449 0.578) 1.486 2.417 ( 0.016 0.052 1.175) 1.177 2.496 ( -1.480 -3.852 0.258) 4.134 2.507 ( -0.814 -2.491 -0.426) 2.655 2.601 ( -3.477 -2.914 0.892) 4.623 2.637 ( -1.202 -2.119 -0.366) 2.464 2.716 ( -0.741 -0.287 0.069) 0.798 2.746 ( 1.961 -0.449 0.009) 2.012 2.865 ( -0.756 0.650 0.739) 1.241 2.915 ( 2.476 -1.128 -2.763) 3.877 3.102 ( -2.467 4.928 2.448) 6.030 3.160 ( 1.730 4.244 -0.909) 4.673 3.651 ( -3.019 -3.542 0.416) 4.673 3.660 ( -1.558 -3.136 -0.229) 3.509 3.694 ( -3.102 -2.208 0.453) 3.834 3.717 ( -2.364 -1.757 0.391) 2.971 3.725 ( -0.760 -0.874 0.298) 1.196 3.770 ( 1.566 -0.824 -0.067) 1.771 3.882 ( -6.399 -0.961 0.625) 6.501 4.076 ( 7.663 -1.685 -3.927) 8.774 4.322 ( 0.176 -4.041 0.899) 4.144 4.335 ( -0.186 -4.709 -1.648) 4.992 4.485 ( -2.775 3.234 1.683) 4.581 4.505 ( -2.504 3.101 1.511) 4.263 4.578 ( -3.107 2.007 0.729) 3.770 4.719 ( 7.393 3.113 -1.654) 8.190 5.665 ( -6.080 -0.678 2.302) 6.537 5.826 ( 7.929 1.209 -1.283) 8.122 6.083 ( -3.385 -7.568 0.684) 8.318 6.138 ( 1.100 -8.338 -0.978) 8.467 6.432 ( -5.842 1.200 0.140) 5.966 6.474 ( -2.260 3.886 -1.043) 4.614 7.758 ( -1.521 -1.597 1.612) 2.732 7.812 ( 2.038 -0.481 -1.508) 2.580 7.951 ( -4.099 -1.662 0.095) 4.424 8.011 ( 1.216 -1.785 -0.811) 2.307 8.401 ( -1.659 0.934 0.706) 2.031 8.435 ( 0.673 0.559 -0.296) 0.923 8.766 ( -6.268 -1.036 1.059) 6.441 8.898 ( 5.993 1.319 -0.799) 6.188 9.009 ( -1.527 0.577 0.695) 1.774 9.053 ( 1.654 1.335 -0.789) 2.268 9.095 ( -1.480 0.148 0.149) 1.494 9.135 ( 2.129 0.637 -0.466) 2.271 9.438 ( 0.437 -0.161 0.024) 0.467 9.452 ( 1.972 -0.467 0.232) 2.040 9.530 ( 0.256 2.428 0.017) 2.442 9.546 ( 1.565 2.128 -0.241) 2.652 9.852 ( -1.528 -0.083 0.921) 1.786 9.892 ( 1.515 0.553 -0.712) 1.762 10.074 ( -0.297 0.655 0.242) 0.759 10.087 ( 0.710 0.798 -0.252) 1.098 10.181 ( -1.066 -1.029 0.340) 1.520 10.199 ( 0.403 -0.791 -0.332) 0.948 11.746 ( -2.396 1.559 1.695) 3.323 11.857 ( 6.861 3.621 -1.770) 7.957 15.418 ( 0.365 0.920 0.135) 0.998 15.428 ( 1.717 0.552 1.289) 2.217 15.539 ( -0.568 0.503 1.090) 1.328 15.592 ( 3.216 0.454 -0.989) 3.395 16.356 ( -1.812 -0.291 0.798) 2.001 16.375 ( -1.620 -0.157 -2.038) 2.609 ======================= Grid point 207 (104/115) ======================= q-point: (-0.22 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -1.141 0.246 -0.170) 1.179 1.101 ( -2.007 -0.712 -0.527) 2.193 1.151 ( 1.352 -0.038 -0.254) 1.377 1.213 ( 2.278 0.650 0.824) 2.508 1.303 ( -2.586 -2.401 2.499) 4.323 1.373 ( -1.246 -0.323 0.628) 1.432 1.487 ( -5.872 1.243 0.015) 6.002 1.564 ( -3.364 -0.412 -1.473) 3.695 1.612 ( -0.222 -1.785 -0.269) 1.818 1.676 ( 1.937 1.246 -0.901) 2.473 1.711 ( 2.014 0.529 -0.362) 2.114 1.758 ( -0.314 0.137 -0.240) 0.418 1.785 ( 1.529 2.172 -0.688) 2.743 1.930 ( 6.711 0.944 1.823) 7.018 2.087 ( -2.634 1.858 -1.596) 3.597 2.178 ( 1.197 -0.704 0.385) 1.441 2.385 ( -1.514 0.682 -1.290) 2.103 2.416 ( -0.109 0.189 0.345) 0.408 2.493 ( -3.909 1.238 -0.216) 4.106 2.512 ( -2.637 -0.384 -0.736) 2.765 2.586 ( -5.091 -0.377 -1.035) 5.209 2.618 ( -3.414 1.074 -1.917) 4.060 2.694 ( -2.460 1.575 -1.126) 3.131 2.773 ( 2.023 -0.698 0.543) 2.208 2.855 ( -0.329 -0.035 0.161) 0.369 2.989 ( 6.133 -0.898 2.047) 6.528 3.062 ( -0.451 -3.115 -0.392) 3.172 3.189 ( 5.215 -3.216 0.748) 6.172 3.633 ( -7.307 -0.985 -0.408) 7.385 3.682 ( -1.887 -1.761 0.281) 2.597 3.692 ( -2.693 -0.329 0.341) 2.735 3.716 ( -0.735 0.648 -0.230) 1.007 3.735 ( -1.068 -1.277 -0.513) 1.742 3.794 ( 0.706 -0.558 0.507) 1.033 3.874 ( -3.198 -3.210 1.122) 4.668 4.134 ( 4.506 1.707 0.502) 4.845 4.328 ( -3.726 2.597 -0.373) 4.558 4.360 ( -2.409 0.502 -0.350) 2.485 4.439 ( -1.480 -2.004 -1.465) 2.890 4.457 ( -1.228 -0.405 0.214) 1.311 4.565 ( 0.347 -1.352 1.015) 1.726 4.739 ( 6.559 2.233 0.065) 6.929 5.636 ( -4.615 -1.635 -0.577) 4.930 5.864 ( 6.192 2.029 -1.774) 6.753 6.073 ( -6.719 1.664 -2.359) 7.313 6.236 ( 0.180 -0.469 1.137) 1.243 6.395 ( -3.941 -1.256 0.468) 4.163 6.460 ( -1.843 -6.291 3.508) 7.434 7.765 ( -1.524 -0.687 -0.151) 1.678 7.843 ( 2.688 -0.769 0.386) 2.822 7.954 ( -3.379 -2.491 1.502) 4.459 8.038 ( -0.170 -0.617 0.504) 0.815 8.392 ( -0.160 -0.938 -0.076) 0.955 8.435 ( 0.638 0.010 -0.628) 0.895 8.747 ( -4.209 -2.501 0.163) 4.899 8.906 ( 3.424 2.483 -1.420) 4.461 8.990 ( -1.016 0.214 -0.277) 1.075 9.053 ( 1.964 0.745 0.269) 2.117 9.085 ( -0.807 -0.366 0.090) 0.890 9.133 ( 1.401 1.471 0.021) 2.032 9.440 ( 0.173 0.339 -0.177) 0.420 9.473 ( 0.740 0.274 -0.450) 0.909 9.498 ( 1.364 1.531 0.082) 2.052 9.532 ( 1.826 1.389 0.235) 2.306 9.840 ( -1.452 0.064 0.193) 1.466 9.894 ( 1.240 0.708 0.113) 1.433 10.068 ( 0.025 -0.131 -0.122) 0.181 10.092 ( 1.175 -0.294 0.103) 1.216 10.179 ( -1.346 -0.165 -0.068) 1.358 10.206 ( -0.159 0.106 0.106) 0.219 11.717 ( -1.002 0.345 0.083) 1.063 11.855 ( 6.027 3.485 -0.589) 6.987 15.413 ( 0.824 0.644 0.560) 1.186 15.425 ( -0.150 1.395 0.232) 1.422 15.526 ( 1.504 0.886 -0.289) 1.769 15.612 ( 4.474 1.413 0.211) 4.696 16.340 ( -3.565 -0.869 -0.699) 3.735 16.379 ( -1.215 -1.992 0.240) 2.346 ======================= Grid point 208 (105/115) ======================= q-point: (-0.11 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -0.441 -0.255 -0.390) 0.641 1.104 ( -0.511 -1.281 -0.941) 1.670 1.145 ( -1.014 1.028 0.024) 1.444 1.231 ( 0.287 -0.715 1.799) 1.957 1.304 ( -0.422 2.030 2.128) 2.971 1.341 ( -1.934 1.552 2.036) 3.209 1.461 ( -1.796 -2.997 -2.684) 4.406 1.535 ( -2.505 -0.633 -1.821) 3.162 1.639 ( -0.381 -1.566 -1.140) 1.974 1.678 ( 2.195 0.954 -2.111) 3.192 1.706 ( 1.139 1.114 -0.165) 1.602 1.758 ( 0.082 -0.166 -0.022) 0.187 1.769 ( 1.004 0.586 -0.206) 1.181 1.954 ( -2.491 1.053 0.651) 2.781 2.042 ( 3.608 1.227 1.292) 4.024 2.184 ( -0.090 1.754 1.479) 2.296 2.347 ( -2.505 1.166 -2.121) 3.483 2.389 ( -4.528 1.937 -1.163) 5.060 2.423 ( -0.434 0.350 0.537) 0.774 2.488 ( -1.048 0.497 -0.993) 1.527 2.544 ( -2.495 -0.206 -2.784) 3.744 2.571 ( -1.418 0.379 -2.378) 2.794 2.628 ( -2.916 1.920 -1.738) 3.900 2.801 ( 1.361 -0.260 0.397) 1.441 2.850 ( -0.338 0.696 1.003) 1.267 3.026 ( 0.259 -0.671 2.993) 3.078 3.192 ( 7.358 -5.245 -1.435) 9.150 3.308 ( 4.285 -3.172 0.552) 5.360 3.575 ( -3.895 0.422 -0.703) 3.980 3.650 ( -3.176 1.467 -0.183) 3.503 3.685 ( -0.990 0.147 -0.075) 1.004 3.695 ( -0.767 0.692 0.239) 1.060 3.743 ( 0.785 -0.463 -0.099) 0.917 3.797 ( 0.142 0.923 0.652) 1.139 3.902 ( -1.206 -1.701 0.378) 2.119 4.114 ( 3.829 5.891 5.276) 8.786 4.216 ( -4.538 4.053 -0.774) 6.134 4.312 ( -2.639 1.354 0.231) 2.975 4.474 ( 0.183 -1.195 -1.477) 1.909 4.482 ( -0.650 -4.174 -3.096) 5.237 4.604 ( 0.077 -2.298 -0.001) 2.300 4.768 ( 3.557 0.645 1.665) 3.980 5.625 ( -3.078 -2.210 -3.230) 4.979 5.859 ( 2.495 2.934 -0.932) 3.962 5.965 ( -3.874 2.921 -2.046) 5.265 6.197 ( -0.183 3.155 3.265) 4.544 6.413 ( -0.182 -0.570 1.256) 1.391 6.555 ( 0.104 -3.279 2.680) 4.236 7.756 ( -1.116 -0.295 -1.113) 1.604 7.888 ( 3.086 -0.668 1.794) 3.632 7.970 ( -1.568 -1.438 1.400) 2.547 8.027 ( -0.860 1.802 2.001) 2.826 8.418 ( 0.739 -1.403 -1.049) 1.901 8.438 ( 0.335 0.169 -0.756) 0.844 8.760 ( -1.952 -2.287 -1.257) 3.259 8.882 ( 1.810 2.830 -0.058) 3.360 8.984 ( -0.681 -0.761 -1.349) 1.692 9.058 ( 1.463 0.760 0.342) 1.684 9.087 ( -0.447 -0.138 0.213) 0.514 9.125 ( 0.590 0.393 0.709) 1.003 9.433 ( -0.455 -0.132 -0.369) 0.600 9.457 ( -0.472 0.309 -0.574) 0.805 9.509 ( 1.009 -0.608 -0.131) 1.186 9.537 ( 0.877 -0.109 0.493) 1.012 9.828 ( -1.159 -0.305 -0.519) 1.306 9.894 ( 0.738 0.500 0.737) 1.157 10.075 ( 0.297 -0.525 -0.386) 0.716 10.113 ( 1.045 -0.625 0.321) 1.259 10.165 ( -0.775 0.264 -0.265) 0.861 10.194 ( -0.719 0.798 0.368) 1.135 11.717 ( -1.246 -2.003 -1.635) 2.870 11.858 ( 3.063 1.310 0.844) 3.437 15.379 ( -1.639 1.338 -0.806) 2.264 15.426 ( 0.547 -0.223 1.253) 1.385 15.541 ( 1.844 -0.432 -0.654) 2.003 15.636 ( 3.905 0.637 1.067) 4.098 16.312 ( -3.192 -0.116 -1.635) 3.588 16.404 ( -0.319 -1.189 1.042) 1.613 ======================= Grid point 214 (106/115) ======================= q-point: (-0.44 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 0.241 0.000 1.468) 1.487 1.100 ( -0.315 -0.000 -1.264) 1.303 1.155 ( -0.322 -0.000 0.438) 0.543 1.179 ( 1.044 0.000 -0.306) 1.088 1.262 ( -2.066 -0.000 -1.798) 2.739 1.274 ( -0.408 -0.000 0.271) 0.490 1.516 ( -2.948 -0.000 1.678) 3.392 1.528 ( -2.607 -0.000 3.166) 4.101 1.639 ( -2.932 -0.000 0.354) 2.953 1.702 ( 2.123 0.000 -1.106) 2.394 1.732 ( -0.078 -0.000 0.347) 0.356 1.769 ( 1.691 0.000 -0.503) 1.764 1.912 ( 1.317 0.000 3.872) 4.090 1.926 ( -0.725 -0.000 3.731) 3.801 2.017 ( 1.224 0.000 -4.719) 4.875 2.043 ( 5.570 0.000 -6.486) 8.549 2.318 ( -2.069 -0.000 1.471) 2.538 2.357 ( 0.600 0.000 -0.258) 0.653 2.445 ( -1.764 -0.000 3.498) 3.917 2.482 ( -0.675 -0.000 -0.848) 1.084 2.571 ( -1.258 -0.000 3.798) 4.001 2.593 ( -2.849 -0.000 0.436) 2.882 2.711 ( 2.292 0.000 3.449) 4.142 2.727 ( -0.637 -0.000 -4.834) 4.876 2.876 ( 0.698 0.000 2.911) 2.994 2.883 ( -2.639 -0.000 -4.005) 4.796 3.262 ( -5.250 -0.000 -0.505) 5.274 3.318 ( 1.945 0.000 1.399) 2.396 3.559 ( -6.161 -0.000 1.094) 6.257 3.578 ( -0.629 -0.000 1.559) 1.681 3.629 ( -3.801 -0.000 -0.708) 3.866 3.679 ( 0.721 0.000 0.543) 0.902 3.710 ( -1.804 -0.000 -0.724) 1.944 3.755 ( 1.584 0.000 -0.271) 1.607 3.883 ( -4.455 -0.000 -0.263) 4.463 4.032 ( 5.690 0.000 -5.520) 7.928 4.211 ( -0.563 -0.000 -2.545) 2.606 4.213 ( 2.365 0.000 2.060) 3.136 4.553 ( -2.312 -0.000 2.888) 3.699 4.579 ( -2.442 -0.000 0.999) 2.639 4.632 ( -3.397 -0.000 1.638) 3.771 4.784 ( 6.999 0.000 -2.733) 7.514 5.662 ( -7.031 -0.000 4.103) 8.141 5.837 ( 4.274 0.000 -0.749) 4.339 5.912 ( 3.217 0.000 1.568) 3.579 5.934 ( -0.229 -0.000 -2.524) 2.534 6.483 ( -8.890 -0.000 -1.198) 8.971 6.559 ( -1.726 -0.000 -2.157) 2.762 7.721 ( -1.549 -0.000 3.460) 3.790 7.800 ( 2.017 0.000 -4.015) 4.493 7.928 ( -4.174 -0.000 -0.969) 4.285 7.976 ( 1.184 0.000 -0.176) 1.197 8.432 ( -2.030 -0.000 0.482) 2.086 8.437 ( -1.649 -0.000 0.114) 1.653 8.751 ( -8.094 -0.000 1.554) 8.241 8.920 ( 7.527 0.000 -0.009) 7.527 9.029 ( -1.930 -0.000 1.623) 2.521 9.077 ( -0.997 -0.000 -1.327) 1.660 9.115 ( 0.635 0.000 -2.760) 2.833 9.124 ( 2.602 0.000 1.160) 2.848 9.439 ( 2.000 0.000 0.023) 2.000 9.445 ( 2.532 0.000 0.476) 2.576 9.580 ( 0.956 0.000 0.306) 1.004 9.591 ( 1.515 0.000 -0.555) 1.613 9.848 ( -1.531 -0.000 1.833) 2.389 9.900 ( 1.749 0.000 -1.431) 2.260 10.114 ( -0.283 -0.000 0.751) 0.803 10.119 ( -0.352 -0.000 -0.024) 0.353 10.150 ( -0.095 -0.000 -0.351) 0.364 10.154 ( 0.386 0.000 -0.387) 0.547 11.785 ( -2.569 -0.000 3.258) 4.149 11.932 ( 8.614 0.000 -2.942) 9.102 15.444 ( 2.972 0.000 2.943) 4.182 15.445 ( 0.277 0.000 -1.704) 1.726 15.530 ( -0.016 -0.000 1.871) 1.871 15.571 ( 1.782 0.000 -2.068) 2.730 16.371 ( -0.566 -0.000 3.144) 3.194 16.389 ( -3.055 -0.000 -3.998) 5.032 ======================= Grid point 215 (107/115) ======================= q-point: (-0.33 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -1.182 0.621 0.936) 1.630 1.113 ( -1.446 0.634 0.934) 1.834 1.151 ( 1.133 -0.635 -0.534) 1.405 1.197 ( -0.941 -1.822 0.151) 2.056 1.228 ( -0.627 0.502 0.333) 0.869 1.308 ( -0.635 -3.453 0.035) 3.511 1.493 ( -5.395 -0.218 2.739) 6.054 1.526 ( -2.756 -1.825 0.986) 3.449 1.617 ( -0.219 0.587 0.387) 0.737 1.701 ( 1.684 1.234 -0.479) 2.141 1.739 ( 1.267 0.540 0.034) 1.377 1.773 ( -0.076 0.450 -0.778) 0.902 1.871 ( 1.739 3.376 2.024) 4.303 1.965 ( 3.243 0.087 -2.356) 4.010 2.050 ( 1.262 -4.026 -0.233) 4.226 2.118 ( 2.483 -3.094 -4.989) 6.374 2.341 ( -2.293 -3.972 1.010) 4.696 2.387 ( -0.825 -3.039 0.306) 3.164 2.440 ( -2.408 -0.836 2.912) 3.869 2.468 ( -1.667 -0.587 -1.921) 2.611 2.546 ( -5.785 -0.228 2.164) 6.181 2.589 ( -2.102 -1.555 1.066) 2.824 2.705 ( -0.163 -0.042 -2.872) 2.877 2.750 ( 1.392 -1.067 0.571) 1.844 2.859 ( -1.460 -1.063 -1.651) 2.447 2.892 ( 0.232 -0.462 1.795) 1.868 3.163 ( -4.768 4.351 0.601) 6.483 3.269 ( 0.629 6.456 0.557) 6.511 3.528 ( -9.499 -3.646 3.597) 10.792 3.583 ( -3.096 -1.927 -1.407) 3.909 3.611 ( -3.471 -3.198 0.392) 4.736 3.689 ( -1.059 -0.095 0.244) 1.091 3.704 ( -0.016 -1.118 -0.051) 1.120 3.770 ( 0.690 -0.529 0.055) 0.871 3.846 ( -1.985 0.244 -0.514) 2.065 4.062 ( 0.875 -2.213 -6.146) 6.591 4.239 ( -0.460 -4.398 -2.254) 4.963 4.272 ( 1.801 -3.099 1.172) 3.771 4.513 ( -3.605 2.433 2.458) 4.995 4.535 ( -2.366 2.193 -0.249) 3.236 4.604 ( -0.434 2.157 3.657) 4.268 4.826 ( 7.120 1.943 -2.228) 7.710 5.610 ( -5.986 -0.062 2.803) 6.610 5.884 ( 2.362 -2.625 -1.769) 3.949 5.951 ( 0.056 -3.873 -0.991) 3.998 6.009 ( 2.500 -5.757 -1.191) 6.388 6.370 ( -11.307 0.902 0.730) 11.367 6.490 ( -6.447 2.547 -0.831) 6.982 7.729 ( -1.395 -1.104 2.968) 3.460 7.813 ( 2.087 -0.763 -3.239) 3.927 7.889 ( -4.674 -0.787 0.124) 4.741 7.992 ( 0.194 -1.025 0.308) 1.088 8.397 ( -2.925 0.676 0.491) 3.042 8.424 ( -2.382 -0.671 -0.314) 2.495 8.690 ( -6.837 -0.793 1.909) 7.143 8.970 ( 4.288 1.348 -1.608) 4.774 9.016 ( 0.524 0.689 1.362) 1.614 9.059 ( -1.818 -0.406 -0.746) 2.007 9.103 ( 1.124 1.224 -1.528) 2.257 9.156 ( 1.696 -0.357 0.008) 1.733 9.462 ( 3.535 0.770 0.059) 3.619 9.480 ( 4.108 0.021 0.255) 4.116 9.579 ( 1.880 1.987 0.160) 2.740 9.595 ( 2.360 1.500 -0.303) 2.813 9.842 ( -1.243 -0.050 1.748) 2.145 9.911 ( 1.811 0.218 -1.127) 2.144 10.090 ( -0.408 1.384 0.532) 1.538 10.110 ( 0.556 1.320 -0.494) 1.515 10.152 ( -1.102 -1.248 0.602) 1.771 10.180 ( 0.190 -1.570 -0.642) 1.707 11.772 ( 0.138 1.592 3.156) 3.538 11.990 ( 10.382 2.983 -3.002) 11.212 15.440 ( 1.756 0.787 -1.669) 2.548 15.473 ( 3.092 1.269 1.819) 3.806 15.546 ( 0.956 -0.421 1.678) 1.977 15.602 ( 2.985 -1.714 -2.087) 4.025 16.340 ( -3.662 0.033 -2.594) 4.488 16.355 ( -2.622 1.396 2.944) 4.182 ======================= Grid point 216 (108/115) ======================= q-point: (-0.22 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -0.676 0.399 1.202) 1.436 1.087 ( -0.771 0.571 0.990) 1.379 1.167 ( 0.193 0.134 -0.514) 0.565 1.203 ( -3.393 -2.580 1.435) 4.497 1.260 ( 1.750 -1.951 1.219) 2.891 1.346 ( -1.803 -1.438 1.246) 2.621 1.438 ( -5.685 0.650 0.901) 5.792 1.515 ( -3.604 -0.426 -1.873) 4.084 1.615 ( 1.407 0.581 0.427) 1.581 1.710 ( 1.590 0.453 0.109) 1.657 1.730 ( 1.359 0.799 -0.191) 1.588 1.762 ( 0.053 0.283 -0.691) 0.748 1.846 ( 2.391 2.714 0.370) 3.636 1.994 ( 2.057 0.417 -0.108) 2.102 2.094 ( 2.242 -0.003 -3.578) 4.223 2.154 ( -0.161 -2.105 -1.949) 2.873 2.360 ( -3.386 -1.053 -0.167) 3.550 2.404 ( -2.588 -0.402 0.912) 2.773 2.447 ( -4.238 -1.810 -0.191) 4.612 2.466 ( -1.884 -1.667 -0.600) 2.586 2.512 ( -6.778 -2.516 1.605) 7.406 2.589 ( -2.535 -0.561 -0.283) 2.612 2.698 ( -0.524 0.905 -1.174) 1.572 2.773 ( 0.481 -1.060 -0.124) 1.171 2.847 ( -1.524 0.774 0.142) 1.715 2.958 ( 2.521 -6.739 -1.684) 7.390 3.077 ( -1.684 3.342 3.796) 5.330 3.204 ( 2.992 0.783 -0.183) 3.098 3.495 ( -10.442 -3.692 1.766) 11.215 3.602 ( -3.454 -3.982 -0.305) 5.281 3.648 ( -3.864 -4.025 1.508) 5.779 3.682 ( -1.001 -0.568 -0.323) 1.195 3.716 ( -0.005 -0.197 0.067) 0.208 3.783 ( -0.400 -0.871 0.276) 0.997 3.839 ( 0.084 -0.471 0.184) 0.512 4.088 ( -2.866 -4.889 -6.253) 8.439 4.297 ( -2.329 -2.465 -0.933) 3.518 4.319 ( -0.846 -1.705 -1.183) 2.241 4.437 ( -3.055 2.556 1.927) 4.425 4.484 ( 0.262 1.803 0.340) 1.853 4.584 ( 1.744 2.287 4.201) 5.092 4.844 ( 6.306 2.775 -1.811) 7.123 5.575 ( -4.155 -0.771 1.773) 4.583 5.927 ( 2.558 -0.167 -4.393) 5.086 6.003 ( -2.802 -2.304 -1.743) 4.024 6.133 ( -1.074 -8.122 -1.426) 8.316 6.302 ( -8.383 -5.285 3.677) 10.570 6.377 ( -7.173 1.526 0.896) 7.388 7.740 ( -1.490 -0.783 1.364) 2.166 7.846 ( 2.362 -1.673 -1.508) 3.264 7.877 ( -3.796 -2.676 1.832) 4.993 8.011 ( -0.911 -1.488 0.314) 1.773 8.374 ( -1.760 -0.684 0.409) 1.932 8.415 ( -2.274 -1.231 -0.699) 2.678 8.665 ( -4.903 -2.164 2.354) 5.854 8.951 ( 0.459 1.727 -2.833) 3.349 9.012 ( 1.500 1.773 -0.954) 2.511 9.062 ( -0.376 -0.881 1.577) 1.845 9.093 ( 1.566 0.862 -1.049) 2.073 9.164 ( 0.820 0.679 -0.331) 1.115 9.475 ( 3.430 1.828 0.143) 3.889 9.510 ( 3.896 1.463 -0.191) 4.166 9.556 ( 2.449 3.007 0.121) 3.880 9.585 ( 2.412 2.306 -0.067) 3.337 9.834 ( -1.138 0.382 1.383) 1.832 9.917 ( 1.513 0.641 -0.627) 1.759 10.072 ( -0.012 0.523 0.247) 0.579 10.102 ( 0.988 0.286 -0.290) 1.068 10.158 ( -1.462 -0.753 0.419) 1.697 10.197 ( -0.406 -0.745 -0.411) 0.942 11.754 ( 1.634 2.807 2.742) 4.251 12.005 ( 9.608 5.658 -2.911) 11.524 15.444 ( 2.735 0.930 -0.798) 2.997 15.467 ( 1.255 2.688 0.762) 3.062 15.560 ( 1.851 0.899 0.489) 2.115 15.657 ( 4.119 -0.975 -1.475) 4.482 16.302 ( -4.466 0.904 1.381) 4.761 16.323 ( -2.578 -2.146 -0.268) 3.365 ======================= Grid point 217 (109/115) ======================= q-point: (-0.11 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 1.209 0.438 0.372) 1.339 1.084 ( -0.247 -0.394 0.437) 0.638 1.149 ( -1.268 1.279 -0.586) 1.894 1.234 ( -1.341 -2.023 2.827) 3.726 1.309 ( 0.152 -1.377 1.843) 2.305 1.342 ( -2.677 -2.623 1.844) 4.177 1.377 ( -3.293 1.730 -1.088) 3.875 1.483 ( -3.566 -1.382 -1.323) 4.047 1.620 ( 0.411 0.455 0.480) 0.779 1.704 ( 1.345 0.539 -1.207) 1.886 1.736 ( 0.605 0.829 -0.835) 1.323 1.765 ( 1.168 0.126 -0.025) 1.175 1.827 ( 3.320 2.872 -0.765) 4.456 1.956 ( -3.364 2.616 0.404) 4.280 2.102 ( 4.223 0.951 -2.301) 4.902 2.181 ( -0.786 -1.605 -1.072) 2.084 2.328 ( -3.650 0.437 -0.796) 3.762 2.363 ( -4.749 0.892 -0.020) 4.832 2.417 ( -2.257 -0.142 0.503) 2.317 2.476 ( -1.209 -0.601 -0.048) 1.351 2.501 ( -2.935 -1.940 -0.032) 3.518 2.557 ( -2.324 0.452 -0.914) 2.538 2.643 ( -0.711 3.463 -2.117) 4.121 2.800 ( 0.815 -1.145 -0.251) 1.427 2.838 ( -1.357 -1.194 -0.475) 1.869 3.025 ( -2.168 -0.266 3.575) 4.190 3.141 ( 6.081 -7.596 -0.340) 9.736 3.280 ( 2.222 -3.910 -0.066) 4.498 3.488 ( -5.357 -4.491 1.445) 7.138 3.618 ( -4.240 -1.411 0.479) 4.494 3.664 ( -1.818 -1.772 1.052) 2.747 3.686 ( -2.011 -0.885 -0.301) 2.218 3.726 ( 0.161 -1.189 -0.254) 1.226 3.792 ( -1.435 -0.962 0.492) 1.797 3.860 ( -0.204 -1.713 0.965) 1.977 4.128 ( -3.289 -5.484 -4.991) 8.112 4.232 ( -3.329 3.496 -2.273) 5.336 4.306 ( -2.587 1.206 0.578) 2.912 4.428 ( -1.116 -2.713 0.020) 2.934 4.480 ( 3.042 2.138 2.094) 4.267 4.593 ( 1.161 -0.027 2.553) 2.805 4.843 ( 4.551 2.965 -1.279) 5.580 5.567 ( -2.276 -1.251 0.913) 2.753 5.903 ( -1.554 1.317 -2.972) 3.603 5.961 ( -1.653 2.157 -3.736) 4.619 6.196 ( -3.937 -2.222 0.933) 4.616 6.348 ( -1.736 -5.362 0.014) 5.636 6.421 ( -4.874 -10.424 4.118) 12.222 7.737 ( -1.311 -0.447 0.231) 1.404 7.898 ( 2.144 -1.982 0.232) 2.928 7.912 ( -1.882 -3.491 2.224) 4.547 8.019 ( -2.153 -0.972 0.416) 2.399 8.389 ( -0.398 -2.058 -0.057) 2.097 8.418 ( -1.710 -1.557 -0.649) 2.402 8.682 ( -3.215 -3.527 2.150) 5.234 8.918 ( 0.259 1.333 -3.137) 3.418 8.990 ( 0.703 1.509 -0.841) 1.865 9.075 ( -0.459 -0.503 1.148) 1.334 9.094 ( 1.730 0.899 -0.865) 2.133 9.151 ( 0.561 1.311 -0.097) 1.429 9.466 ( 2.472 2.764 0.153) 3.711 9.493 ( 2.018 3.292 -0.527) 3.896 9.539 ( 2.472 2.084 0.067) 3.234 9.570 ( 1.958 2.062 0.186) 2.850 9.820 ( -0.899 0.452 0.899) 1.349 9.915 ( 0.952 0.871 -0.237) 1.312 10.073 ( 0.469 -0.165 0.008) 0.497 10.114 ( 0.799 -0.420 -0.003) 0.903 10.156 ( -0.780 -0.455 0.098) 0.908 10.194 ( -1.087 0.130 -0.127) 1.102 11.730 ( 1.662 2.878 1.926) 3.841 11.971 ( 6.755 6.504 -2.396) 9.679 15.413 ( -0.069 3.838 -0.351) 3.854 15.452 ( 2.321 1.234 0.115) 2.632 15.559 ( 1.058 0.956 0.326) 1.463 15.688 ( 2.800 1.152 -0.127) 3.031 16.264 ( -3.422 -1.154 -0.333) 3.626 16.361 ( -0.590 -3.557 0.566) 3.650 ======================= Grid point 224 (110/115) ======================= q-point: (-0.33 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -4.772 -0.000 3.485) 5.909 1.103 ( -2.891 -0.000 0.197) 2.898 1.137 ( -1.598 -0.000 0.888) 1.828 1.168 ( -0.369 -0.000 1.215) 1.270 1.249 ( -0.142 -0.000 1.671) 1.677 1.257 ( 1.820 0.000 -0.410) 1.866 1.469 ( -2.593 -0.000 0.181) 2.599 1.472 ( -3.888 -0.000 0.913) 3.994 1.626 ( 0.544 0.000 0.905) 1.056 1.731 ( 1.363 0.000 -0.596) 1.488 1.758 ( 2.340 0.000 -0.184) 2.347 1.778 ( 0.170 0.000 -0.564) 0.590 1.928 ( -1.021 -0.000 2.681) 2.869 1.956 ( 1.358 0.000 -1.685) 2.164 2.013 ( 1.384 0.000 -1.047) 1.735 2.120 ( 6.236 0.000 -7.419) 9.692 2.290 ( -1.955 -0.000 2.038) 2.824 2.352 ( -1.169 -0.000 0.489) 1.267 2.404 ( -10.495 -0.000 -0.236) 10.498 2.415 ( -3.484 -0.000 3.119) 4.677 2.470 ( -7.816 -0.000 -0.024) 7.816 2.574 ( -0.754 -0.000 2.337) 2.455 2.690 ( -0.183 -0.000 -4.289) 4.293 2.747 ( -0.265 -0.000 0.099) 0.283 2.827 ( -0.261 -0.000 -1.479) 1.502 2.910 ( 0.490 0.000 4.132) 4.161 3.144 ( -6.218 -0.000 -0.339) 6.227 3.341 ( -0.298 -0.000 0.578) 0.650 3.411 ( -9.677 -0.000 5.130) 10.953 3.517 ( -6.167 -0.000 -2.413) 6.622 3.553 ( -2.705 -0.000 0.661) 2.785 3.686 ( -0.168 -0.000 -0.630) 0.652 3.694 ( 0.304 0.000 0.769) 0.827 3.768 ( -0.049 -0.000 0.090) 0.103 3.831 ( -0.773 -0.000 -1.407) 1.605 4.000 ( -4.397 -0.000 -6.753) 8.058 4.193 ( 0.581 0.000 -2.023) 2.105 4.272 ( 2.518 0.000 1.050) 2.728 4.504 ( -4.567 -0.000 2.913) 5.416 4.517 ( -3.498 -0.000 -2.602) 4.360 4.654 ( 2.877 0.000 5.545) 6.246 4.898 ( 6.111 0.000 -2.464) 6.589 5.567 ( -4.870 -0.000 3.192) 5.823 5.830 ( -2.808 -0.000 1.313) 3.099 5.899 ( -1.588 -0.000 -2.470) 2.936 6.029 ( 7.340 0.000 -5.710) 9.299 6.258 ( -13.889 -0.000 2.070) 14.042 6.424 ( -10.398 -0.000 -0.817) 10.430 7.717 ( -1.310 -0.000 3.630) 3.859 7.807 ( 0.249 0.000 -2.946) 2.957 7.841 ( -3.056 -0.000 -0.630) 3.120 7.986 ( -0.331 -0.000 0.975) 1.030 8.367 ( -4.651 -0.000 0.406) 4.669 8.384 ( -3.509 -0.000 -0.667) 3.571 8.633 ( -5.077 -0.000 3.306) 6.058 8.998 ( 0.339 0.000 -0.781) 0.851 9.026 ( -2.487 -0.000 -0.638) 2.567 9.052 ( 3.780 0.000 -0.134) 3.782 9.114 ( 0.383 0.000 -2.972) 2.996 9.164 ( 0.850 0.000 0.512) 0.992 9.522 ( 6.040 0.000 -0.052) 6.040 9.524 ( 5.177 0.000 0.282) 5.185 9.623 ( 3.083 0.000 0.603) 3.141 9.633 ( 3.089 0.000 -0.555) 3.139 9.839 ( -0.838 -0.000 2.292) 2.440 9.927 ( 1.946 0.000 -1.289) 2.334 10.110 ( -0.717 -0.000 0.394) 0.819 10.111 ( -0.701 -0.000 0.844) 1.097 10.142 ( -0.394 -0.000 -0.570) 0.693 10.156 ( 0.188 0.000 -0.715) 0.739 11.814 ( 2.712 0.000 4.372) 5.144 12.116 ( 12.315 0.000 -4.074) 12.971 15.463 ( 3.138 0.000 -2.299) 3.890 15.528 ( 3.933 0.000 1.076) 4.078 15.556 ( 1.366 0.000 1.957) 2.387 15.604 ( 3.031 0.000 -2.113) 3.695 16.291 ( -4.352 -0.000 -2.226) 4.888 16.352 ( -3.864 -0.000 3.603) 5.283 ======================= Grid point 225 (111/115) ======================= q-point: (-0.22 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -8.247 -2.364 6.502) 10.765 1.081 ( -5.774 -2.793 3.461) 7.288 1.133 ( -0.316 1.446 1.262) 1.945 1.167 ( 1.547 0.082 -0.226) 1.566 1.261 ( 1.593 -0.016 0.193) 1.605 1.304 ( 0.206 -2.546 0.252) 2.566 1.426 ( -1.750 1.318 -0.684) 2.295 1.470 ( -2.320 -1.231 -2.094) 3.359 1.631 ( 0.170 0.150 1.292) 1.312 1.726 ( -0.133 0.686 0.018) 0.699 1.757 ( 0.871 1.440 -1.242) 2.091 1.781 ( 2.298 0.791 0.095) 2.432 1.908 ( 0.762 1.928 1.687) 2.672 1.989 ( 1.322 -2.278 -1.029) 2.828 2.059 ( -0.125 -3.091 -1.797) 3.578 2.143 ( 3.236 0.398 -6.328) 7.119 2.299 ( -11.480 -3.865 3.813) 12.700 2.304 ( -6.252 -3.232 0.716) 7.074 2.365 ( -4.440 -1.922 2.566) 5.476 2.407 ( -3.110 -2.160 1.921) 4.246 2.421 ( -3.456 -1.128 -0.554) 3.677 2.570 ( -1.105 0.135 0.527) 1.232 2.682 ( -0.704 -1.188 -2.335) 2.712 2.745 ( -1.768 -1.156 -1.128) 2.394 2.851 ( 0.928 -1.684 0.517) 1.991 2.904 ( -0.264 1.545 1.115) 1.923 3.090 ( -2.905 -0.467 1.343) 3.235 3.269 ( -1.301 4.767 0.003) 4.942 3.365 ( -7.798 -1.889 3.303) 8.677 3.497 ( -4.613 -4.052 -0.029) 6.140 3.549 ( -3.880 -2.838 -0.227) 4.813 3.671 ( -0.916 0.599 -0.798) 1.354 3.712 ( 0.344 -0.764 0.617) 1.040 3.763 ( -1.395 -0.242 -0.524) 1.509 3.830 ( 0.145 -0.913 -1.342) 1.630 3.954 ( -4.826 -2.910 -6.639) 8.708 4.224 ( -0.074 -3.255 -1.076) 3.429 4.304 ( 0.869 -0.465 -0.026) 0.986 4.446 ( -4.776 2.023 2.012) 5.563 4.476 ( -2.891 -0.310 -1.653) 3.344 4.685 ( 4.393 2.741 5.577) 7.610 4.928 ( 4.887 1.623 -2.647) 5.789 5.543 ( -2.774 -0.245 3.859) 4.759 5.847 ( -3.870 -4.307 0.772) 5.841 5.924 ( -1.362 -5.499 -3.018) 6.419 6.060 ( 2.618 -0.054 -7.403) 7.852 6.147 ( -12.639 -2.371 3.655) 13.369 6.313 ( -9.383 0.502 -1.000) 9.450 7.722 ( -1.431 -0.439 2.883) 3.248 7.799 ( -3.635 -2.019 1.568) 4.444 7.840 ( 1.685 -1.218 -3.300) 3.900 7.986 ( -1.151 -0.519 0.291) 1.295 8.331 ( -4.109 -1.052 0.396) 4.260 8.358 ( -3.597 -1.460 -0.841) 3.972 8.615 ( -2.938 -0.619 4.765) 5.632 8.972 ( -0.570 1.783 -1.018) 2.130 9.022 ( -0.617 -0.823 -1.142) 1.537 9.067 ( 1.087 0.888 -0.586) 1.520 9.107 ( 0.918 -0.087 -2.492) 2.657 9.171 ( 0.051 -0.025 -0.060) 0.082 9.556 ( 5.672 2.043 0.303) 6.036 9.579 ( 5.674 0.925 -0.015) 5.749 9.635 ( 3.575 2.511 0.250) 4.376 9.647 ( 3.115 1.853 -0.212) 3.631 9.838 ( -0.626 0.337 2.397) 2.500 9.938 ( 1.740 0.339 -1.151) 2.114 10.085 ( -0.506 0.980 0.599) 1.255 10.116 ( 0.366 0.611 -0.559) 0.906 10.130 ( -1.536 -0.885 0.658) 1.891 10.173 ( -0.510 -1.327 -0.840) 1.651 11.843 ( 4.120 2.529 5.181) 7.086 12.183 ( 11.708 4.327 -4.928) 13.419 15.487 ( 4.222 0.630 -1.508) 4.528 15.534 ( 2.277 2.726 0.950) 3.676 15.588 ( 1.966 -0.099 0.973) 2.196 15.653 ( 3.667 -2.620 -2.288) 5.054 16.258 ( -3.236 -1.471 -0.833) 3.651 16.296 ( -5.498 2.318 2.723) 6.558 ======================= Grid point 226 (112/115) ======================= q-point: (-0.11 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -5.177 -3.899 6.942) 9.497 1.102 ( -6.086 -4.549 2.344) 7.952 1.112 ( 3.341 2.039 0.805) 3.996 1.186 ( 0.758 0.018 1.953) 2.095 1.265 ( -2.391 -1.617 0.402) 2.914 1.328 ( -0.569 -0.032 0.894) 1.061 1.385 ( -0.550 1.839 -0.938) 2.136 1.440 ( -1.698 0.606 -3.174) 3.650 1.638 ( -0.130 -0.072 1.821) 1.827 1.706 ( -0.638 0.180 -1.773) 1.893 1.759 ( 1.533 0.839 -0.470) 1.810 1.783 ( 1.498 0.566 0.756) 1.771 1.894 ( 2.044 1.853 0.493) 2.803 1.982 ( -1.201 3.061 -0.139) 3.291 2.110 ( -0.203 -4.169 -3.148) 5.228 2.131 ( 0.592 0.301 -5.005) 5.049 2.284 ( -5.289 -1.791 0.605) 5.617 2.317 ( -7.660 -3.902 3.979) 9.473 2.348 ( -3.300 -2.755 1.817) 4.667 2.414 ( -3.947 -1.729 2.221) 4.848 2.445 ( -0.906 -2.946 0.663) 3.152 2.551 ( -1.486 0.838 -0.165) 1.714 2.685 ( 0.076 0.783 -2.325) 2.454 2.758 ( -1.888 -3.551 -0.678) 4.079 2.820 ( -0.096 2.284 -1.064) 2.522 2.958 ( -1.931 -5.140 2.234) 5.928 3.114 ( 2.631 -1.919 2.904) 4.363 3.232 ( -0.777 -1.959 -2.257) 3.088 3.372 ( -3.490 -4.569 3.814) 6.899 3.535 ( -3.558 -4.255 -0.008) 5.547 3.561 ( -6.090 -4.927 0.250) 7.838 3.653 ( -1.739 -0.612 -1.639) 2.467 3.715 ( -0.375 -0.060 -0.709) 0.804 3.758 ( -1.745 -0.949 0.418) 2.030 3.848 ( 0.582 -0.767 -0.581) 1.124 3.961 ( -3.657 -5.311 -6.761) 9.343 4.250 ( -1.448 1.083 -0.860) 2.002 4.292 ( -0.914 -0.394 -0.738) 1.239 4.386 ( -3.398 0.177 1.619) 3.768 4.484 ( -0.574 -2.690 -0.748) 2.850 4.686 ( 4.248 4.432 5.721) 8.391 4.924 ( 3.690 2.569 -2.820) 5.307 5.547 ( -0.761 -0.463 4.641) 4.726 5.853 ( -5.377 -1.538 0.182) 5.596 5.968 ( -0.723 0.379 -7.602) 7.646 6.065 ( -4.176 -6.878 -1.643) 8.212 6.178 ( -7.748 -10.896 4.476) 14.099 6.256 ( -3.861 -2.515 -3.147) 5.580 7.719 ( -1.535 -0.348 1.585) 2.233 7.829 ( -2.673 -3.916 3.477) 5.880 7.882 ( 2.185 -2.604 -2.827) 4.421 7.979 ( -2.413 -0.736 -0.961) 2.700 8.332 ( -2.814 -2.887 0.267) 4.041 8.360 ( -2.603 -2.523 -0.517) 3.662 8.626 ( -1.708 -1.337 5.582) 5.989 8.935 ( 0.080 1.722 -1.867) 2.541 9.013 ( 0.598 1.040 -3.202) 3.419 9.064 ( -0.890 -0.517 2.054) 2.297 9.110 ( 0.874 0.062 -2.557) 2.703 9.165 ( -0.334 0.342 -0.514) 0.702 9.560 ( 4.660 3.762 0.492) 6.009 9.584 ( 3.541 3.908 0.060) 5.274 9.619 ( 3.717 3.565 -0.210) 5.155 9.635 ( 2.843 2.751 -0.025) 3.956 9.830 ( -0.512 0.874 2.260) 2.476 9.938 ( 1.139 0.934 -1.011) 1.787 10.077 ( 0.227 0.030 0.475) 0.527 10.114 ( 0.095 -0.100 -0.259) 0.294 10.136 ( -0.714 -1.082 0.290) 1.329 10.177 ( -1.287 -0.563 -0.663) 1.554 11.839 ( 4.116 4.864 5.341) 8.314 12.161 ( 9.028 8.000 -5.268) 13.162 15.491 ( 1.407 4.441 0.244) 4.665 15.506 ( 3.861 1.774 -0.738) 4.313 15.590 ( 0.382 1.513 1.055) 1.884 15.716 ( 2.572 -0.759 -1.288) 2.975 16.217 ( -4.668 0.242 0.904) 4.760 16.288 ( -0.917 -4.219 -0.033) 4.317 ======================= Grid point 234 (113/115) ======================= q-point: (-0.22 -0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -12.548 -0.000 10.887) 16.612 0.946 ( -12.352 -0.000 6.711) 14.057 1.173 ( -0.627 -0.000 -1.261) 1.409 1.208 ( 4.693 0.000 0.769) 4.756 1.270 ( -1.059 -0.000 -0.645) 1.240 1.280 ( 1.400 0.000 0.904) 1.667 1.425 ( -0.275 -0.000 -3.798) 3.808 1.434 ( 0.831 0.000 -2.048) 2.210 1.630 ( -2.754 -0.000 3.314) 4.309 1.726 ( -1.264 -0.000 0.103) 1.268 1.797 ( 0.898 0.000 0.166) 0.914 1.800 ( 2.406 0.000 -0.352) 2.431 1.932 ( 0.068 0.000 1.311) 1.312 1.943 ( -1.516 -0.000 -1.339) 2.023 2.047 ( -1.315 -0.000 -0.147) 1.324 2.092 ( -14.019 -0.000 7.985) 16.134 2.149 ( 0.798 0.000 -5.419) 5.477 2.277 ( -1.099 -0.000 2.658) 2.877 2.324 ( -2.185 -0.000 1.432) 2.612 2.366 ( -3.176 -0.000 2.092) 3.803 2.372 ( -3.510 -0.000 -0.871) 3.617 2.563 ( -1.462 -0.000 -0.204) 1.476 2.646 ( -2.581 -0.000 -1.955) 3.237 2.703 ( -3.299 -0.000 -2.240) 3.987 2.850 ( 1.966 0.000 1.035) 2.222 2.948 ( 1.307 0.000 2.093) 2.467 3.035 ( -4.252 -0.000 -0.431) 4.274 3.277 ( -7.372 -0.000 1.278) 7.482 3.303 ( -3.576 -0.000 -0.963) 3.703 3.425 ( -2.293 -0.000 3.804) 4.441 3.471 ( -6.767 -0.000 -2.480) 7.207 3.688 ( 0.516 0.000 -0.244) 0.571 3.689 ( -0.167 -0.000 -1.645) 1.653 3.755 ( -0.579 -0.000 -0.760) 0.956 3.806 ( -0.921 -0.000 -3.052) 3.188 3.877 ( -2.325 -0.000 -4.236) 4.832 4.196 ( 0.417 0.000 -0.472) 0.630 4.314 ( 1.041 0.000 0.424) 1.124 4.424 ( -4.035 -0.000 -2.660) 4.833 4.425 ( -5.248 -0.000 2.252) 5.710 4.771 ( 4.737 0.000 5.005) 6.891 4.971 ( 3.431 0.000 -2.853) 4.462 5.541 ( -0.663 -0.000 5.652) 5.691 5.776 ( -3.561 -0.000 1.666) 3.931 5.845 ( -2.163 -0.000 -2.384) 3.219 6.013 ( -13.120 -0.000 3.932) 13.697 6.037 ( -3.941 -0.000 -7.291) 8.287 6.235 ( -3.950 -0.000 -5.996) 7.180 7.719 ( -1.166 -0.000 4.016) 4.182 7.749 ( -3.746 -0.000 1.913) 4.206 7.833 ( 1.930 0.000 -4.425) 4.828 7.968 ( -1.821 -0.000 -1.047) 2.101 8.280 ( -4.326 -0.000 0.490) 4.354 8.307 ( -3.572 -0.000 -0.923) 3.690 8.614 ( -0.669 -0.000 6.890) 6.923 8.986 ( -1.755 -0.000 1.442) 2.271 8.998 ( 0.610 0.000 -1.334) 1.466 9.081 ( 0.386 0.000 -3.091) 3.115 9.096 ( 0.107 0.000 -3.037) 3.039 9.168 ( -0.430 -0.000 -0.465) 0.633 9.634 ( 5.727 0.000 0.455) 5.745 9.642 ( 6.077 0.000 -0.134) 6.078 9.694 ( 3.476 0.000 -0.387) 3.498 9.694 ( 3.601 0.000 0.517) 3.637 9.846 ( -0.295 -0.000 2.997) 3.011 9.953 ( 1.685 0.000 -1.444) 2.219 10.096 ( -1.130 -0.000 0.758) 1.361 10.098 ( -1.199 -0.000 0.870) 1.482 10.127 ( -0.738 -0.000 -0.786) 1.078 10.148 ( -0.503 -0.000 -1.145) 1.251 11.934 ( 5.321 0.000 7.136) 8.902 12.314 ( 11.333 0.000 -6.618) 13.124 15.535 ( 5.447 0.000 -0.868) 5.515 15.591 ( 2.054 0.000 -0.057) 2.055 15.601 ( 1.765 0.000 2.007) 2.673 15.651 ( 3.260 0.000 -2.327) 4.005 16.212 ( -2.677 -0.000 -0.831) 2.803 16.271 ( -6.647 -0.000 2.136) 6.981 ======================= Grid point 235 (114/115) ======================= q-point: (-0.11 -0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -12.092 -6.121 10.214) 16.971 0.938 ( -10.190 -7.358 11.894) 17.305 1.147 ( -1.242 -0.412 -2.365) 2.703 1.228 ( 2.623 1.195 -0.569) 2.938 1.271 ( -0.947 -0.839 -1.940) 2.316 1.290 ( 1.157 0.483 0.983) 1.593 1.414 ( 0.182 1.346 -2.528) 2.870 1.438 ( 1.901 0.376 -2.884) 3.474 1.612 ( -5.780 -2.050 6.185) 8.710 1.704 ( -0.878 0.981 -0.371) 1.368 1.782 ( 0.191 0.988 0.893) 1.346 1.809 ( 0.548 0.901 1.056) 1.492 1.921 ( -0.300 0.320 0.792) 0.906 1.995 ( -1.283 -5.048 0.687) 5.254 2.023 ( -1.442 -2.131 -1.115) 2.804 2.100 ( -3.326 -2.945 5.919) 7.401 2.121 ( -2.714 -0.207 -3.018) 4.064 2.271 ( -1.905 0.288 1.934) 2.730 2.317 ( -2.177 -0.608 2.668) 3.497 2.358 ( -2.819 -1.752 0.921) 3.444 2.380 ( -1.459 -3.471 0.709) 3.831 2.541 ( -1.428 0.037 -2.099) 2.539 2.638 ( -2.607 -3.043 -1.228) 4.191 2.676 ( -3.715 -2.051 -2.776) 5.071 2.883 ( 1.425 0.989 1.540) 2.319 2.906 ( 0.330 1.639 0.718) 1.820 3.078 ( 0.232 -5.150 2.149) 5.585 3.190 ( -4.386 0.989 -3.315) 5.586 3.301 ( -3.236 -3.361 1.429) 4.880 3.406 ( -8.683 -3.522 -4.675) 10.472 3.445 ( -1.964 -1.759 4.717) 5.404 3.650 ( 0.614 2.201 -2.411) 3.322 3.715 ( -1.100 1.508 -0.765) 2.017 3.732 ( 0.344 -1.807 -0.027) 1.840 3.821 ( -0.095 -2.525 -2.318) 3.429 3.865 ( -1.316 -1.752 -4.500) 5.005 4.223 ( 0.221 -2.388 1.013) 2.604 4.298 ( -0.923 1.809 -0.976) 2.253 4.365 ( -4.662 0.996 1.394) 4.967 4.416 ( -2.126 -3.000 -1.465) 3.958 4.807 ( 4.081 2.771 4.892) 6.947 4.977 ( 2.502 1.460 -2.988) 4.161 5.566 ( 1.232 -0.024 7.250) 7.354 5.775 ( -4.219 -2.221 1.517) 5.004 5.870 ( -2.217 -5.750 -2.933) 6.825 5.939 ( -8.301 -2.543 -0.616) 8.704 5.972 ( -8.416 -4.202 0.468) 9.418 6.193 ( -0.153 -0.134 -10.560) 10.562 7.710 ( -1.611 0.265 2.822) 3.260 7.760 ( -2.175 -2.916 3.884) 5.322 7.850 ( 1.808 -1.709 -4.414) 5.067 7.942 ( -2.543 -0.223 -2.723) 3.732 8.261 ( -3.211 -1.939 0.510) 3.786 8.290 ( -2.782 -2.057 -0.783) 3.548 8.638 ( 0.369 0.230 8.346) 8.357 8.961 ( -0.102 1.612 0.363) 1.655 9.012 ( 0.644 -0.579 -2.567) 2.709 9.058 ( -1.147 0.531 -0.444) 1.339 9.098 ( 0.365 -0.777 -3.369) 3.477 9.157 ( -1.137 0.032 -1.318) 1.741 9.664 ( 4.741 2.724 0.467) 5.488 9.676 ( 4.109 2.439 0.236) 4.784 9.704 ( 3.043 2.392 -0.286) 3.882 9.710 ( 3.683 2.249 -0.041) 4.316 9.849 ( -0.203 0.656 3.224) 3.296 9.958 ( 1.169 0.595 -1.577) 2.051 10.080 ( -0.456 0.156 0.826) 0.957 10.104 ( -1.620 -0.658 0.757) 1.906 10.116 ( 0.030 -0.512 -0.812) 0.960 10.148 ( -1.313 -0.947 -1.116) 1.967 11.981 ( 5.025 3.582 8.224) 10.282 12.343 ( 8.830 5.394 -7.693) 12.894 15.572 ( 3.269 2.369 0.079) 4.038 15.577 ( 3.307 2.382 0.123) 4.077 15.621 ( 0.780 0.966 1.479) 1.931 15.706 ( 3.151 -2.785 -1.896) 4.613 16.185 ( -6.553 1.638 1.073) 6.840 16.214 ( -1.481 -2.855 -0.736) 3.299 ======================= Grid point 244 (115/115) ======================= q-point: (-0.11 -0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( -11.790 -0.000 13.613) 18.009 0.778 ( -13.608 -0.000 14.954) 20.219 1.090 ( -3.283 -0.000 -8.275) 8.902 1.145 ( -7.271 -0.000 -5.602) 9.179 1.325 ( 4.607 0.000 1.545) 4.859 1.328 ( 1.435 0.000 6.108) 6.274 1.425 ( 2.667 0.000 -4.360) 5.111 1.446 ( -1.444 -0.000 3.936) 4.193 1.529 ( -9.303 -0.000 11.238) 14.589 1.709 ( -0.620 -0.000 0.643) 0.893 1.802 ( 1.118 0.000 2.374) 2.624 1.850 ( 3.070 0.000 -0.988) 3.225 1.905 ( -0.638 -0.000 2.650) 2.725 1.943 ( 0.270 0.000 0.562) 0.623 1.980 ( 0.336 0.000 -2.862) 2.881 2.074 ( -5.504 -0.000 -2.533) 6.059 2.131 ( 3.235 0.000 4.233) 5.327 2.279 ( -1.061 -0.000 3.300) 3.467 2.297 ( -1.900 -0.000 2.609) 3.228 2.324 ( -1.096 -0.000 0.334) 1.145 2.333 ( -0.766 -0.000 -0.132) 0.777 2.512 ( -1.891 -0.000 -5.337) 5.662 2.570 ( -3.901 -0.000 -0.029) 3.901 2.606 ( -4.084 -0.000 -3.218) 5.200 2.897 ( 1.423 0.000 3.561) 3.834 2.992 ( 2.472 0.000 0.203) 2.481 2.999 ( 0.114 0.000 1.634) 1.638 3.155 ( -4.064 -0.000 -2.974) 5.036 3.211 ( -4.096 -0.000 -2.856) 4.994 3.266 ( -9.289 -0.000 -6.180) 11.157 3.473 ( 1.827 0.000 8.553) 8.746 3.700 ( 0.647 0.000 0.201) 0.678 3.702 ( 2.040 0.000 -1.847) 2.752 3.743 ( -0.029 -0.000 -1.371) 1.371 3.750 ( -2.292 -0.000 -2.851) 3.658 3.827 ( -1.309 -0.000 -4.409) 4.599 4.209 ( 0.598 0.000 2.148) 2.230 4.301 ( -3.642 -0.000 2.355) 4.337 4.342 ( -2.224 -0.000 -2.857) 3.620 4.353 ( -2.085 -0.000 -1.233) 2.422 4.880 ( 3.082 0.000 4.234) 5.237 5.001 ( 1.933 0.000 -2.762) 3.371 5.613 ( 2.896 0.000 8.207) 8.703 5.727 ( -2.529 -0.000 1.813) 3.112 5.787 ( -3.185 -0.000 -0.931) 3.318 5.832 ( -7.344 -0.000 3.303) 8.053 5.863 ( -7.355 -0.000 -2.636) 7.814 6.158 ( 1.127 0.000 -15.322) 15.363 7.714 ( -1.633 -0.000 3.427) 3.796 7.726 ( -1.098 -0.000 4.445) 4.579 7.836 ( 1.691 0.000 -5.008) 5.286 7.904 ( -2.627 -0.000 -4.229) 4.978 8.219 ( -2.323 -0.000 0.660) 2.415 8.246 ( -2.073 -0.000 -0.865) 2.246 8.681 ( 1.099 0.000 9.950) 10.010 8.982 ( -0.241 -0.000 3.143) 3.152 9.002 ( 1.306 0.000 -3.617) 3.845 9.047 ( -1.444 -0.000 -2.400) 2.801 9.082 ( 0.602 0.000 -2.942) 3.003 9.137 ( -1.837 -0.000 -2.301) 2.945 9.729 ( 3.393 0.000 0.479) 3.427 9.738 ( 3.704 0.000 0.043) 3.705 9.751 ( 2.477 0.000 -0.312) 2.497 9.760 ( 2.937 0.000 -0.052) 2.937 9.865 ( -0.173 -0.000 3.854) 3.858 9.967 ( 0.862 0.000 -1.998) 2.176 10.080 ( -1.141 -0.000 1.018) 1.529 10.082 ( -0.965 -0.000 0.959) 1.360 10.105 ( -0.736 -0.000 -0.983) 1.228 10.122 ( -1.153 -0.000 -1.305) 1.741 12.090 ( 4.278 0.000 10.140) 11.006 12.435 ( 6.528 0.000 -9.461) 11.494 15.616 ( 0.799 0.000 1.017) 1.293 15.637 ( 1.462 0.000 2.461) 2.863 15.657 ( 5.554 0.000 -0.260) 5.560 15.692 ( 2.474 0.000 -2.375) 3.429 16.137 ( -7.492 -0.000 1.012) 7.560 16.171 ( -1.204 -0.000 -1.688) 2.073 =================== 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 3/31590 10.0 38.292 36.970 41.073 -0.000 -0.210 0.000 3/31590 20.0 6.385 6.249 6.377 -0.000 -0.132 0.000 3/31590 30.0 2.848 2.793 2.814 -0.000 -0.056 0.000 3/31590 40.0 1.784 1.753 1.753 -0.000 -0.031 0.000 3/31590 50.0 1.309 1.288 1.278 -0.000 -0.020 0.000 3/31590 60.0 1.045 1.031 1.015 -0.000 -0.014 0.000 3/31590 70.0 0.878 0.867 0.848 -0.000 -0.010 0.000 3/31590 80.0 0.762 0.754 0.732 -0.000 -0.008 0.000 3/31590 90.0 0.676 0.670 0.647 -0.000 -0.007 0.000 3/31590 100.0 0.609 0.605 0.581 -0.000 -0.005 0.000 3/31590 110.0 0.557 0.553 0.529 -0.000 -0.005 0.000 3/31590 120.0 0.513 0.511 0.487 -0.000 -0.004 0.000 3/31590 130.0 0.477 0.476 0.451 -0.000 -0.003 0.000 3/31590 140.0 0.446 0.446 0.421 -0.000 -0.003 0.000 3/31590 150.0 0.420 0.420 0.395 -0.000 -0.003 0.000 3/31590 160.0 0.397 0.397 0.372 -0.000 -0.002 0.000 3/31590 170.0 0.376 0.377 0.352 -0.000 -0.002 0.000 3/31590 180.0 0.358 0.359 0.334 -0.000 -0.002 0.000 3/31590 190.0 0.341 0.343 0.318 -0.000 -0.002 0.000 3/31590 200.0 0.326 0.328 0.304 -0.000 -0.002 0.000 3/31590 210.0 0.313 0.314 0.290 -0.000 -0.002 0.000 3/31590 220.0 0.300 0.302 0.278 -0.000 -0.001 0.000 3/31590 230.0 0.289 0.291 0.267 -0.000 -0.001 0.000 3/31590 240.0 0.278 0.280 0.257 -0.000 -0.001 0.000 3/31590 250.0 0.269 0.270 0.248 -0.000 -0.001 0.000 3/31590 260.0 0.259 0.261 0.239 -0.000 -0.001 0.000 3/31590 270.0 0.251 0.253 0.231 -0.000 -0.001 0.000 3/31590 280.0 0.243 0.245 0.223 -0.000 -0.001 0.000 3/31590 290.0 0.235 0.237 0.216 -0.000 -0.001 0.000 3/31590 300.0 0.228 0.230 0.209 -0.000 -0.001 0.000 3/31590 310.0 0.222 0.224 0.203 -0.000 -0.001 0.000 3/31590 320.0 0.215 0.217 0.197 -0.000 -0.001 0.000 3/31590 330.0 0.209 0.212 0.191 -0.000 -0.001 0.000 3/31590 340.0 0.204 0.206 0.186 -0.000 -0.001 0.000 3/31590 350.0 0.199 0.201 0.181 -0.000 -0.001 0.000 3/31590 360.0 0.194 0.196 0.176 -0.000 -0.001 0.000 3/31590 370.0 0.189 0.191 0.172 -0.000 -0.001 0.000 3/31590 380.0 0.184 0.186 0.168 -0.000 -0.001 0.000 3/31590 390.0 0.180 0.182 0.164 -0.000 -0.001 0.000 3/31590 400.0 0.176 0.178 0.160 -0.000 -0.001 0.000 3/31590 410.0 0.172 0.174 0.156 -0.000 -0.001 0.000 3/31590 420.0 0.168 0.170 0.152 -0.000 -0.001 0.000 3/31590 430.0 0.164 0.166 0.149 -0.000 -0.000 0.000 3/31590 440.0 0.161 0.163 0.146 -0.000 -0.000 0.000 3/31590 450.0 0.157 0.159 0.143 -0.000 -0.000 0.000 3/31590 460.0 0.154 0.156 0.140 -0.000 -0.000 0.000 3/31590 470.0 0.151 0.153 0.137 -0.000 -0.000 0.000 3/31590 480.0 0.148 0.150 0.134 -0.000 -0.000 0.000 3/31590 490.0 0.145 0.147 0.132 -0.000 -0.000 0.000 3/31590 500.0 0.143 0.144 0.129 -0.000 -0.000 0.000 3/31590 510.0 0.140 0.142 0.127 -0.000 -0.000 0.000 3/31590 520.0 0.137 0.139 0.124 -0.000 -0.000 0.000 3/31590 530.0 0.135 0.137 0.122 -0.000 -0.000 0.000 3/31590 540.0 0.133 0.134 0.120 -0.000 -0.000 0.000 3/31590 550.0 0.130 0.132 0.118 -0.000 -0.000 0.000 3/31590 560.0 0.128 0.130 0.116 -0.000 -0.000 0.000 3/31590 570.0 0.126 0.128 0.114 -0.000 -0.000 0.000 3/31590 580.0 0.124 0.125 0.112 -0.000 -0.000 0.000 3/31590 590.0 0.122 0.123 0.110 -0.000 -0.000 0.000 3/31590 600.0 0.120 0.121 0.108 -0.000 -0.000 0.000 3/31590 610.0 0.118 0.120 0.106 -0.000 -0.000 0.000 3/31590 620.0 0.116 0.118 0.105 -0.000 -0.000 0.000 3/31590 630.0 0.114 0.116 0.103 -0.000 -0.000 0.000 3/31590 640.0 0.113 0.114 0.102 -0.000 -0.000 0.000 3/31590 650.0 0.111 0.112 0.100 -0.000 -0.000 0.000 3/31590 660.0 0.109 0.111 0.099 -0.000 -0.000 0.000 3/31590 670.0 0.108 0.109 0.097 -0.000 -0.000 0.000 3/31590 680.0 0.106 0.108 0.096 -0.000 -0.000 0.000 3/31590 690.0 0.105 0.106 0.094 -0.000 -0.000 0.000 3/31590 700.0 0.103 0.105 0.093 -0.000 -0.000 0.000 3/31590 710.0 0.102 0.103 0.092 -0.000 -0.000 0.000 3/31590 720.0 0.101 0.102 0.091 -0.000 -0.000 0.000 3/31590 730.0 0.099 0.101 0.089 -0.000 -0.000 0.000 3/31590 740.0 0.098 0.099 0.088 -0.000 -0.000 0.000 3/31590 750.0 0.097 0.098 0.087 -0.000 -0.000 0.000 3/31590 760.0 0.095 0.097 0.086 -0.000 -0.000 0.000 3/31590 770.0 0.094 0.096 0.085 -0.000 -0.000 0.000 3/31590 780.0 0.093 0.094 0.084 -0.000 -0.000 0.000 3/31590 790.0 0.092 0.093 0.083 -0.000 -0.000 0.000 3/31590 800.0 0.091 0.092 0.082 -0.000 -0.000 0.000 3/31590 810.0 0.090 0.091 0.081 -0.000 -0.000 0.000 3/31590 820.0 0.089 0.090 0.080 -0.000 -0.000 0.000 3/31590 830.0 0.088 0.089 0.079 -0.000 -0.000 0.000 3/31590 840.0 0.087 0.088 0.078 -0.000 -0.000 0.000 3/31590 850.0 0.086 0.087 0.077 -0.000 -0.000 0.000 3/31590 860.0 0.085 0.086 0.076 -0.000 -0.000 0.000 3/31590 870.0 0.084 0.085 0.075 -0.000 -0.000 0.000 3/31590 880.0 0.083 0.084 0.074 -0.000 -0.000 0.000 3/31590 890.0 0.082 0.083 0.074 -0.000 -0.000 0.000 3/31590 900.0 0.081 0.082 0.073 -0.000 -0.000 0.000 3/31590 910.0 0.080 0.081 0.072 -0.000 -0.000 0.000 3/31590 920.0 0.079 0.080 0.071 -0.000 -0.000 0.000 3/31590 930.0 0.078 0.080 0.070 -0.000 -0.000 0.000 3/31590 940.0 0.078 0.079 0.070 -0.000 -0.000 0.000 3/31590 950.0 0.077 0.078 0.069 -0.000 -0.000 0.000 3/31590 960.0 0.076 0.077 0.068 -0.000 -0.000 0.000 3/31590 970.0 0.075 0.076 0.068 -0.000 -0.000 0.000 3/31590 980.0 0.074 0.076 0.067 -0.000 -0.000 0.000 3/31590 990.0 0.074 0.075 0.066 -0.000 -0.000 0.000 3/31590 1000.0 0.073 0.074 0.066 -0.000 -0.000 0.000 3/31590 Thermal conductivity related properties were written into "kappa-m995.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:28:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|