----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:54:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.499489130484676 0.000000000000000 0.000000000000000 b 0.000000000000000 13.637849850000004 0.000000000000000 c -4.203641915918310 0.000000000000000 8.583227583929668 Atomic positions (fractional): *1 K 0.45028773928085 0.27806464814681 0.28789149597128 39.098 2 K 0.54971226071915 0.77806464814681 0.21210850402872 39.098 3 K 0.54971226071915 0.72193535185319 0.71210850402872 39.098 4 K 0.45028773928085 0.22193535185318 0.78789149597128 39.098 *5 K 0.21902996326270 0.93738351721422 0.69810312342684 39.098 6 K 0.78097003673730 0.43738351721422 0.80189687657316 39.098 7 K 0.78097003673730 0.06261648278578 0.30189687657316 39.098 8 K 0.21902996326270 0.56261648278578 0.19810312342684 39.098 *9 K 0.00355360318778 0.34447800711941 0.51035647158917 39.098 10 K 0.99644639681223 0.84447800711941 0.98964352841083 39.098 11 K 0.99644639681223 0.65552199288059 0.48964352841083 39.098 12 K 0.00355360318778 0.15552199288059 0.01035647158917 39.098 *13 Sn 0.65199618132217 0.00892524073689 0.62569029058074 118.710 14 Sn 0.34800381867783 0.50892524073689 0.87430970941926 118.710 15 Sn 0.34800381867783 0.99107475926311 0.37430970941926 118.710 16 Sn 0.65199618132217 0.49107475926311 0.12569029058074 118.710 *17 Te 0.63166238475549 0.97649005440711 0.89998127159361 127.600 18 Te 0.36833761524450 0.47649005440711 0.60001872840639 127.600 19 Te 0.36833761524450 0.02350994559289 0.10001872840638 127.600 20 Te 0.63166238475549 0.52350994559289 0.39998127159362 127.600 *21 Te 0.76137867623088 0.19512853705234 0.62281019046694 127.600 22 Te 0.23862132376912 0.69512853705234 0.87718980953306 127.600 23 Te 0.23862132376912 0.80487146294766 0.37718980953306 127.600 24 Te 0.76137867623088 0.30487146294766 0.12281019046694 127.600 *25 Te 0.83180043849186 0.86472279930362 0.58143186821368 127.600 26 Te 0.16819956150814 0.36472279930362 0.91856813178632 127.600 27 Te 0.16819956150814 0.13527720069638 0.41856813178632 127.600 28 Te 0.83180043849186 0.63527720069638 0.08143186821368 127.600 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.499489130484676 0.000000000000000 0.000000000000000 b 0.000000000000000 13.637849850000004 0.000000000000000 c -4.203641915918310 0.000000000000000 8.583227583929668 Atomic positions (fractional): *1 K 0.45028773928085 0.27806464814681 0.28789149597128 39.098 > 1 2 K 0.54971226071915 0.77806464814681 0.21210850402872 39.098 > 2 3 K 0.54971226071915 0.72193535185319 0.71210850402872 39.098 > 3 4 K 0.45028773928085 0.22193535185318 0.78789149597128 39.098 > 4 *5 K 0.21902996326270 0.93738351721422 0.69810312342684 39.098 > 5 6 K 0.78097003673730 0.43738351721422 0.80189687657316 39.098 > 6 7 K 0.78097003673730 0.06261648278578 0.30189687657316 39.098 > 7 8 K 0.21902996326270 0.56261648278578 0.19810312342684 39.098 > 8 *9 K 0.00355360318778 0.34447800711941 0.51035647158917 39.098 > 9 10 K 0.99644639681223 0.84447800711941 0.98964352841083 39.098 > 10 11 K 0.99644639681223 0.65552199288059 0.48964352841083 39.098 > 11 12 K 0.00355360318778 0.15552199288059 0.01035647158917 39.098 > 12 *13 Sn 0.65199618132217 0.00892524073689 0.62569029058074 118.710 > 13 14 Sn 0.34800381867783 0.50892524073689 0.87430970941926 118.710 > 14 15 Sn 0.34800381867783 0.99107475926311 0.37430970941926 118.710 > 15 16 Sn 0.65199618132217 0.49107475926311 0.12569029058074 118.710 > 16 *17 Te 0.63166238475549 0.97649005440711 0.89998127159361 127.600 > 17 18 Te 0.36833761524450 0.47649005440711 0.60001872840639 127.600 > 18 19 Te 0.36833761524450 0.02350994559289 0.10001872840638 127.600 > 19 20 Te 0.63166238475549 0.52350994559289 0.39998127159362 127.600 > 20 *21 Te 0.76137867623088 0.19512853705234 0.62281019046694 127.600 > 21 22 Te 0.23862132376912 0.69512853705234 0.87718980953306 127.600 > 22 23 Te 0.23862132376912 0.80487146294766 0.37718980953306 127.600 > 23 24 Te 0.76137867623088 0.30487146294766 0.12281019046694 127.600 > 24 *25 Te 0.83180043849186 0.86472279930362 0.58143186821368 127.600 > 25 26 Te 0.16819956150814 0.36472279930362 0.91856813178632 127.600 > 26 27 Te 0.16819956150814 0.13527720069638 0.41856813178632 127.600 > 27 28 Te 0.83180043849186 0.63527720069638 0.08143186821368 127.600 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 18.998978260969352 0.000000000000000 0.000000000000000 b 0.000000000000000 13.637849850000004 0.000000000000000 c -8.407283831836621 0.000000000000000 17.166455167859336 Atomic positions (fractional): *1 K 0.22514386964042 0.27806464814681 0.14394574798564 39.098 > 1 2 K 0.72514386964042 0.27806464814681 0.14394574798564 39.098 > 1 3 K 0.22514386964042 0.27806464814681 0.64394574798564 39.098 > 1 4 K 0.72514386964042 0.27806464814681 0.64394574798564 39.098 > 1 5 K 0.27485613035958 0.77806464814681 0.10605425201436 39.098 > 2 6 K 0.77485613035958 0.77806464814681 0.10605425201436 39.098 > 2 7 K 0.27485613035958 0.77806464814681 0.60605425201436 39.098 > 2 8 K 0.77485613035958 0.77806464814681 0.60605425201436 39.098 > 2 9 K 0.27485613035958 0.72193535185319 0.35605425201436 39.098 > 3 10 K 0.77485613035958 0.72193535185319 0.35605425201436 39.098 > 3 11 K 0.27485613035958 0.72193535185319 0.85605425201436 39.098 > 3 12 K 0.77485613035958 0.72193535185319 0.85605425201436 39.098 > 3 13 K 0.22514386964042 0.22193535185318 0.39394574798564 39.098 > 4 14 K 0.72514386964042 0.22193535185318 0.39394574798564 39.098 > 4 15 K 0.22514386964042 0.22193535185318 0.89394574798564 39.098 > 4 16 K 0.72514386964042 0.22193535185318 0.89394574798564 39.098 > 4 *17 K 0.10951498163135 0.93738351721422 0.34905156171342 39.098 > 5 18 K 0.60951498163135 0.93738351721422 0.34905156171342 39.098 > 5 19 K 0.10951498163135 0.93738351721422 0.84905156171342 39.098 > 5 20 K 0.60951498163135 0.93738351721422 0.84905156171342 39.098 > 5 21 K 0.39048501836865 0.43738351721422 0.40094843828658 39.098 > 6 22 K 0.89048501836865 0.43738351721422 0.40094843828658 39.098 > 6 23 K 0.39048501836865 0.43738351721422 0.90094843828658 39.098 > 6 24 K 0.89048501836865 0.43738351721422 0.90094843828658 39.098 > 6 25 K 0.39048501836865 0.06261648278578 0.15094843828658 39.098 > 7 26 K 0.89048501836865 0.06261648278578 0.15094843828658 39.098 > 7 27 K 0.39048501836865 0.06261648278578 0.65094843828658 39.098 > 7 28 K 0.89048501836865 0.06261648278578 0.65094843828658 39.098 > 7 29 K 0.10951498163135 0.56261648278578 0.09905156171342 39.098 > 8 30 K 0.60951498163135 0.56261648278578 0.09905156171342 39.098 > 8 31 K 0.10951498163135 0.56261648278578 0.59905156171342 39.098 > 8 32 K 0.60951498163135 0.56261648278578 0.59905156171342 39.098 > 8 *33 K 0.00177680159389 0.34447800711941 0.25517823579458 39.098 > 9 34 K 0.50177680159389 0.34447800711941 0.25517823579458 39.098 > 9 35 K 0.00177680159389 0.34447800711941 0.75517823579458 39.098 > 9 36 K 0.50177680159389 0.34447800711941 0.75517823579458 39.098 > 9 37 K 0.49822319840611 0.84447800711941 0.49482176420542 39.098 > 10 38 K 0.99822319840611 0.84447800711941 0.49482176420542 39.098 > 10 39 K 0.49822319840611 0.84447800711941 0.99482176420542 39.098 > 10 40 K 0.99822319840611 0.84447800711941 0.99482176420542 39.098 > 10 41 K 0.49822319840611 0.65552199288059 0.24482176420542 39.098 > 11 42 K 0.99822319840611 0.65552199288059 0.24482176420542 39.098 > 11 43 K 0.49822319840611 0.65552199288059 0.74482176420542 39.098 > 11 44 K 0.99822319840611 0.65552199288059 0.74482176420542 39.098 > 11 45 K 0.00177680159389 0.15552199288059 0.00517823579458 39.098 > 12 46 K 0.50177680159389 0.15552199288059 0.00517823579458 39.098 > 12 47 K 0.00177680159389 0.15552199288059 0.50517823579458 39.098 > 12 48 K 0.50177680159389 0.15552199288059 0.50517823579458 39.098 > 12 *49 Sn 0.32599809066108 0.00892524073689 0.31284514529037 118.710 > 13 50 Sn 0.82599809066108 0.00892524073689 0.31284514529037 118.710 > 13 51 Sn 0.32599809066108 0.00892524073689 0.81284514529037 118.710 > 13 52 Sn 0.82599809066108 0.00892524073689 0.81284514529037 118.710 > 13 53 Sn 0.17400190933892 0.50892524073689 0.43715485470963 118.710 > 14 54 Sn 0.67400190933892 0.50892524073689 0.43715485470963 118.710 > 14 55 Sn 0.17400190933892 0.50892524073689 0.93715485470963 118.710 > 14 56 Sn 0.67400190933892 0.50892524073689 0.93715485470963 118.710 > 14 57 Sn 0.17400190933892 0.99107475926311 0.18715485470963 118.710 > 15 58 Sn 0.67400190933892 0.99107475926311 0.18715485470963 118.710 > 15 59 Sn 0.17400190933892 0.99107475926311 0.68715485470963 118.710 > 15 60 Sn 0.67400190933892 0.99107475926311 0.68715485470963 118.710 > 15 61 Sn 0.32599809066108 0.49107475926311 0.06284514529037 118.710 > 16 62 Sn 0.82599809066108 0.49107475926311 0.06284514529037 118.710 > 16 63 Sn 0.32599809066108 0.49107475926311 0.56284514529037 118.710 > 16 64 Sn 0.82599809066108 0.49107475926311 0.56284514529037 118.710 > 16 *65 Te 0.31583119237775 0.97649005440711 0.44999063579681 127.600 > 17 66 Te 0.81583119237775 0.97649005440711 0.44999063579681 127.600 > 17 67 Te 0.31583119237775 0.97649005440711 0.94999063579681 127.600 > 17 68 Te 0.81583119237775 0.97649005440711 0.94999063579681 127.600 > 17 69 Te 0.18416880762225 0.47649005440711 0.30000936420319 127.600 > 18 70 Te 0.68416880762225 0.47649005440711 0.30000936420319 127.600 > 18 71 Te 0.18416880762225 0.47649005440711 0.80000936420319 127.600 > 18 72 Te 0.68416880762225 0.47649005440711 0.80000936420319 127.600 > 18 73 Te 0.18416880762225 0.02350994559289 0.05000936420319 127.600 > 19 74 Te 0.68416880762225 0.02350994559289 0.05000936420319 127.600 > 19 75 Te 0.18416880762225 0.02350994559289 0.55000936420319 127.600 > 19 76 Te 0.68416880762225 0.02350994559289 0.55000936420319 127.600 > 19 77 Te 0.31583119237775 0.52350994559289 0.19999063579681 127.600 > 20 78 Te 0.81583119237775 0.52350994559289 0.19999063579681 127.600 > 20 79 Te 0.31583119237775 0.52350994559289 0.69999063579681 127.600 > 20 80 Te 0.81583119237775 0.52350994559289 0.69999063579681 127.600 > 20 *81 Te 0.38068933811544 0.19512853705234 0.31140509523347 127.600 > 21 82 Te 0.88068933811544 0.19512853705234 0.31140509523347 127.600 > 21 83 Te 0.38068933811544 0.19512853705234 0.81140509523347 127.600 > 21 84 Te 0.88068933811544 0.19512853705234 0.81140509523347 127.600 > 21 85 Te 0.11931066188456 0.69512853705234 0.43859490476653 127.600 > 22 86 Te 0.61931066188456 0.69512853705234 0.43859490476653 127.600 > 22 87 Te 0.11931066188456 0.69512853705234 0.93859490476653 127.600 > 22 88 Te 0.61931066188456 0.69512853705234 0.93859490476653 127.600 > 22 89 Te 0.11931066188456 0.80487146294766 0.18859490476653 127.600 > 23 90 Te 0.61931066188456 0.80487146294766 0.18859490476653 127.600 > 23 91 Te 0.11931066188456 0.80487146294766 0.68859490476653 127.600 > 23 92 Te 0.61931066188456 0.80487146294766 0.68859490476653 127.600 > 23 93 Te 0.38068933811544 0.30487146294766 0.06140509523347 127.600 > 24 94 Te 0.88068933811544 0.30487146294766 0.06140509523347 127.600 > 24 95 Te 0.38068933811544 0.30487146294766 0.56140509523347 127.600 > 24 96 Te 0.88068933811544 0.30487146294766 0.56140509523347 127.600 > 24 *97 Te 0.41590021924593 0.86472279930362 0.29071593410684 127.600 > 25 98 Te 0.91590021924593 0.86472279930362 0.29071593410684 127.600 > 25 99 Te 0.41590021924593 0.86472279930362 0.79071593410684 127.600 > 25 100 Te 0.91590021924593 0.86472279930362 0.79071593410684 127.600 > 25 101 Te 0.08409978075407 0.36472279930362 0.45928406589316 127.600 > 26 102 Te 0.58409978075407 0.36472279930362 0.45928406589316 127.600 > 26 103 Te 0.08409978075407 0.36472279930362 0.95928406589316 127.600 > 26 104 Te 0.58409978075407 0.36472279930362 0.95928406589316 127.600 > 26 105 Te 0.08409978075407 0.13527720069638 0.20928406589316 127.600 > 27 106 Te 0.58409978075407 0.13527720069638 0.20928406589316 127.600 > 27 107 Te 0.08409978075407 0.13527720069638 0.70928406589316 127.600 > 27 108 Te 0.58409978075407 0.13527720069638 0.70928406589316 127.600 > 27 109 Te 0.41590021924593 0.63527720069638 0.04071593410684 127.600 > 28 110 Te 0.91590021924593 0.63527720069638 0.04071593410684 127.600 > 28 111 Te 0.41590021924593 0.63527720069638 0.54071593410684 127.600 > 28 112 Te 0.91590021924593 0.63527720069638 0.54071593410684 127.600 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.3372085 0.0000000 -0.0193742 0.0000000 5.9993542 0.0000000 -0.0193688 0.0000000 5.8416917 -------------------------- Born effective charges -------------------------- 1 K 0.8457700 0.1581319 -0.1962899 0.1261618 1.4647806 -0.2909746 -0.1004370 -0.1166610 1.1461368 2 K 0.8457700 -0.1581319 -0.1962899 -0.1261618 1.4647806 0.2909746 -0.1004370 0.1166610 1.1461368 3 K 0.8457700 0.1581319 -0.1962899 0.1261618 1.4647806 -0.2909746 -0.1004370 -0.1166610 1.1461368 4 K 0.8457700 -0.1581319 -0.1962899 -0.1261618 1.4647806 0.2909746 -0.1004370 0.1166610 1.1461368 5 K 1.3410040 0.0978510 -0.0621144 0.1224616 1.1123542 -0.2078800 -0.1352001 -0.0331547 1.3409111 6 K 1.3410040 -0.0978510 -0.0621144 -0.1224616 1.1123542 0.2078800 -0.1352001 0.0331547 1.3409111 7 K 1.3410040 0.0978510 -0.0621144 0.1224616 1.1123542 -0.2078800 -0.1352001 -0.0331547 1.3409111 8 K 1.3410040 -0.0978510 -0.0621144 -0.1224616 1.1123542 0.2078800 -0.1352001 0.0331547 1.3409111 9 K 1.4448219 -0.1125837 0.2494491 0.0836745 1.3429521 0.0023396 0.2737410 0.0883018 1.1876782 10 K 1.4448219 0.1125837 0.2494491 -0.0836745 1.3429521 -0.0023396 0.2737410 -0.0883018 1.1876782 11 K 1.4448219 -0.1125837 0.2494491 0.0836745 1.3429521 0.0023396 0.2737410 0.0883018 1.1876782 12 K 1.4448219 0.1125837 0.2494491 -0.0836745 1.3429521 -0.0023396 0.2737410 -0.0883018 1.1876782 13 Sn 1.7590134 0.1015209 -0.6760174 -0.0793072 2.4241426 0.1392986 -0.0760002 -0.1787422 2.0365107 14 Sn 1.7590134 -0.1015209 -0.6760174 0.0793072 2.4241426 -0.1392986 -0.0760002 0.1787422 2.0365107 15 Sn 1.7590134 0.1015209 -0.6760174 -0.0793072 2.4241426 0.1392986 -0.0760002 -0.1787422 2.0365107 16 Sn 1.7590134 -0.1015209 -0.6760174 0.0793072 2.4241426 -0.1392986 -0.0760002 0.1787422 2.0365107 17 Te -1.2784553 -0.1943399 0.2363176 -0.1212685 -1.6582893 -0.0063524 0.1243954 0.2363731 -2.5877561 18 Te -1.2784553 0.1943399 0.2363176 0.1212685 -1.6582893 0.0063524 0.1243954 -0.2363731 -2.5877561 19 Te -1.2784553 -0.1943399 0.2363176 -0.1212685 -1.6582893 -0.0063524 0.1243954 0.2363731 -2.5877561 20 Te -1.2784553 0.1943399 0.2363176 0.1212685 -1.6582893 0.0063524 0.1243954 -0.2363731 -2.5877561 21 Te -1.6747894 -1.0436815 0.1659817 -0.5223017 -2.6693069 -0.0607843 0.0217218 -0.2415643 -1.5126248 22 Te -1.6747894 1.0436815 0.1659817 0.5223017 -2.6693069 0.0607843 0.0217218 0.2415643 -1.5126248 23 Te -1.6747894 -1.0436815 0.1659817 -0.5223017 -2.6693069 -0.0607843 0.0217218 -0.2415643 -1.5126248 24 Te -1.6747894 1.0436815 0.1659817 0.5223017 -2.6693069 0.0607843 0.0217218 0.2415643 -1.5126248 25 Te -2.4373645 0.9949022 0.2826733 0.8135682 -2.0166335 -0.2602375 -0.1082209 -0.0243199 -1.6108558 26 Te -2.4373645 -0.9949022 0.2826733 -0.8135682 -2.0166335 0.2602375 -0.1082209 0.0243199 -1.6108558 27 Te -2.4373645 0.9949022 0.2826733 0.8135682 -2.0166335 -0.2602375 -0.1082209 -0.0243199 -1.6108558 28 Te -2.4373645 -0.9949022 0.2826733 -0.8135682 -2.0166335 0.2602375 -0.1082209 0.0243199 -1.6108558 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (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: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 0.932 Solver_block: 200 / 880 - Time: 0.812 Solver_block: 300 / 880 - Time: 0.807 Solver_block: 400 / 880 - Time: 0.811 Solver_block: 500 / 880 - Time: 0.806 Solver_block: 600 / 880 - Time: 0.808 Solver_block: 700 / 880 - Time: 0.808 Solver_block: 800 / 880 - Time: 0.808 Solver_block: 880 / 880 - Time: 0.697 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.464 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (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: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:55:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:55:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.499489130484676 0.000000000000000 0.000000000000000 b 0.000000000000000 13.637849850000004 0.000000000000000 c -4.203641915918310 0.000000000000000 8.583227583929668 Atomic positions (fractional): 1 K 0.45028773928085 0.27806464814681 0.28789149597128 39.098 2 K 0.54971226071915 0.77806464814681 0.21210850402872 39.098 3 K 0.54971226071915 0.72193535185319 0.71210850402872 39.098 4 K 0.45028773928085 0.22193535185318 0.78789149597128 39.098 5 K 0.21902996326270 0.93738351721422 0.69810312342684 39.098 6 K 0.78097003673730 0.43738351721422 0.80189687657316 39.098 7 K 0.78097003673730 0.06261648278578 0.30189687657316 39.098 8 K 0.21902996326270 0.56261648278578 0.19810312342684 39.098 9 K 0.00355360318778 0.34447800711941 0.51035647158917 39.098 10 K 0.99644639681223 0.84447800711941 0.98964352841083 39.098 11 K 0.99644639681223 0.65552199288059 0.48964352841083 39.098 12 K 0.00355360318778 0.15552199288059 0.01035647158917 39.098 13 Sn 0.65199618132217 0.00892524073689 0.62569029058074 118.710 14 Sn 0.34800381867783 0.50892524073689 0.87430970941926 118.710 15 Sn 0.34800381867783 0.99107475926311 0.37430970941926 118.710 16 Sn 0.65199618132217 0.49107475926311 0.12569029058074 118.710 17 Te 0.63166238475549 0.97649005440711 0.89998127159361 127.600 18 Te 0.36833761524450 0.47649005440711 0.60001872840639 127.600 19 Te 0.36833761524450 0.02350994559289 0.10001872840638 127.600 20 Te 0.63166238475549 0.52350994559289 0.39998127159362 127.600 21 Te 0.76137867623088 0.19512853705234 0.62281019046694 127.600 22 Te 0.23862132376912 0.69512853705234 0.87718980953306 127.600 23 Te 0.23862132376912 0.80487146294766 0.37718980953306 127.600 24 Te 0.76137867623088 0.30487146294766 0.12281019046694 127.600 25 Te 0.83180043849186 0.86472279930362 0.58143186821368 127.600 26 Te 0.16819956150814 0.36472279930362 0.91856813178632 127.600 27 Te 0.16819956150814 0.13527720069638 0.41856813178632 127.600 28 Te 0.83180043849186 0.63527720069638 0.08143186821368 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.998978260969352 0.000000000000000 0.000000000000000 b 0.000000000000000 13.637849850000004 0.000000000000000 c -8.407283831836621 0.000000000000000 17.166455167859336 Atomic positions (fractional): 1 K 0.22514386964042 0.27806464814681 0.14394574798564 39.098 > 1 2 K 0.72514386964042 0.27806464814681 0.14394574798564 39.098 > 1 3 K 0.22514386964042 0.27806464814681 0.64394574798564 39.098 > 1 4 K 0.72514386964042 0.27806464814681 0.64394574798564 39.098 > 1 5 K 0.27485613035958 0.77806464814681 0.10605425201436 39.098 > 5 6 K 0.77485613035958 0.77806464814681 0.10605425201436 39.098 > 5 7 K 0.27485613035958 0.77806464814681 0.60605425201436 39.098 > 5 8 K 0.77485613035958 0.77806464814681 0.60605425201436 39.098 > 5 9 K 0.27485613035958 0.72193535185319 0.35605425201436 39.098 > 9 10 K 0.77485613035958 0.72193535185319 0.35605425201436 39.098 > 9 11 K 0.27485613035958 0.72193535185319 0.85605425201436 39.098 > 9 12 K 0.77485613035958 0.72193535185319 0.85605425201436 39.098 > 9 13 K 0.22514386964042 0.22193535185318 0.39394574798564 39.098 > 13 14 K 0.72514386964042 0.22193535185318 0.39394574798564 39.098 > 13 15 K 0.22514386964042 0.22193535185318 0.89394574798564 39.098 > 13 16 K 0.72514386964042 0.22193535185318 0.89394574798564 39.098 > 13 17 K 0.10951498163135 0.93738351721422 0.34905156171342 39.098 > 17 18 K 0.60951498163135 0.93738351721422 0.34905156171342 39.098 > 17 19 K 0.10951498163135 0.93738351721422 0.84905156171342 39.098 > 17 20 K 0.60951498163135 0.93738351721422 0.84905156171342 39.098 > 17 21 K 0.39048501836865 0.43738351721422 0.40094843828658 39.098 > 21 22 K 0.89048501836865 0.43738351721422 0.40094843828658 39.098 > 21 23 K 0.39048501836865 0.43738351721422 0.90094843828658 39.098 > 21 24 K 0.89048501836865 0.43738351721422 0.90094843828658 39.098 > 21 25 K 0.39048501836865 0.06261648278578 0.15094843828658 39.098 > 25 26 K 0.89048501836865 0.06261648278578 0.15094843828658 39.098 > 25 27 K 0.39048501836865 0.06261648278578 0.65094843828658 39.098 > 25 28 K 0.89048501836865 0.06261648278578 0.65094843828658 39.098 > 25 29 K 0.10951498163135 0.56261648278578 0.09905156171342 39.098 > 29 30 K 0.60951498163135 0.56261648278578 0.09905156171342 39.098 > 29 31 K 0.10951498163135 0.56261648278578 0.59905156171342 39.098 > 29 32 K 0.60951498163135 0.56261648278578 0.59905156171342 39.098 > 29 33 K 0.00177680159389 0.34447800711941 0.25517823579458 39.098 > 33 34 K 0.50177680159389 0.34447800711941 0.25517823579458 39.098 > 33 35 K 0.00177680159389 0.34447800711941 0.75517823579458 39.098 > 33 36 K 0.50177680159389 0.34447800711941 0.75517823579458 39.098 > 33 37 K 0.49822319840611 0.84447800711941 0.49482176420542 39.098 > 37 38 K 0.99822319840611 0.84447800711941 0.49482176420542 39.098 > 37 39 K 0.49822319840611 0.84447800711941 0.99482176420542 39.098 > 37 40 K 0.99822319840611 0.84447800711941 0.99482176420542 39.098 > 37 41 K 0.49822319840611 0.65552199288059 0.24482176420542 39.098 > 41 42 K 0.99822319840611 0.65552199288059 0.24482176420542 39.098 > 41 43 K 0.49822319840611 0.65552199288059 0.74482176420542 39.098 > 41 44 K 0.99822319840611 0.65552199288059 0.74482176420542 39.098 > 41 45 K 0.00177680159389 0.15552199288059 0.00517823579458 39.098 > 45 46 K 0.50177680159389 0.15552199288059 0.00517823579458 39.098 > 45 47 K 0.00177680159389 0.15552199288059 0.50517823579458 39.098 > 45 48 K 0.50177680159389 0.15552199288059 0.50517823579458 39.098 > 45 49 Sn 0.32599809066108 0.00892524073689 0.31284514529037 118.710 > 49 50 Sn 0.82599809066108 0.00892524073689 0.31284514529037 118.710 > 49 51 Sn 0.32599809066108 0.00892524073689 0.81284514529037 118.710 > 49 52 Sn 0.82599809066108 0.00892524073689 0.81284514529037 118.710 > 49 53 Sn 0.17400190933892 0.50892524073689 0.43715485470963 118.710 > 53 54 Sn 0.67400190933892 0.50892524073689 0.43715485470963 118.710 > 53 55 Sn 0.17400190933892 0.50892524073689 0.93715485470963 118.710 > 53 56 Sn 0.67400190933892 0.50892524073689 0.93715485470963 118.710 > 53 57 Sn 0.17400190933892 0.99107475926311 0.18715485470963 118.710 > 57 58 Sn 0.67400190933892 0.99107475926311 0.18715485470963 118.710 > 57 59 Sn 0.17400190933892 0.99107475926311 0.68715485470963 118.710 > 57 60 Sn 0.67400190933892 0.99107475926311 0.68715485470963 118.710 > 57 61 Sn 0.32599809066108 0.49107475926311 0.06284514529037 118.710 > 61 62 Sn 0.82599809066108 0.49107475926311 0.06284514529037 118.710 > 61 63 Sn 0.32599809066108 0.49107475926311 0.56284514529037 118.710 > 61 64 Sn 0.82599809066108 0.49107475926311 0.56284514529037 118.710 > 61 65 Te 0.31583119237775 0.97649005440711 0.44999063579681 127.600 > 65 66 Te 0.81583119237775 0.97649005440711 0.44999063579681 127.600 > 65 67 Te 0.31583119237775 0.97649005440711 0.94999063579681 127.600 > 65 68 Te 0.81583119237775 0.97649005440711 0.94999063579681 127.600 > 65 69 Te 0.18416880762225 0.47649005440711 0.30000936420319 127.600 > 69 70 Te 0.68416880762225 0.47649005440711 0.30000936420319 127.600 > 69 71 Te 0.18416880762225 0.47649005440711 0.80000936420319 127.600 > 69 72 Te 0.68416880762225 0.47649005440711 0.80000936420319 127.600 > 69 73 Te 0.18416880762225 0.02350994559289 0.05000936420319 127.600 > 73 74 Te 0.68416880762225 0.02350994559289 0.05000936420319 127.600 > 73 75 Te 0.18416880762225 0.02350994559289 0.55000936420319 127.600 > 73 76 Te 0.68416880762225 0.02350994559289 0.55000936420319 127.600 > 73 77 Te 0.31583119237775 0.52350994559289 0.19999063579681 127.600 > 77 78 Te 0.81583119237775 0.52350994559289 0.19999063579681 127.600 > 77 79 Te 0.31583119237775 0.52350994559289 0.69999063579681 127.600 > 77 80 Te 0.81583119237775 0.52350994559289 0.69999063579681 127.600 > 77 81 Te 0.38068933811544 0.19512853705234 0.31140509523347 127.600 > 81 82 Te 0.88068933811544 0.19512853705234 0.31140509523347 127.600 > 81 83 Te 0.38068933811544 0.19512853705234 0.81140509523347 127.600 > 81 84 Te 0.88068933811544 0.19512853705234 0.81140509523347 127.600 > 81 85 Te 0.11931066188456 0.69512853705234 0.43859490476653 127.600 > 85 86 Te 0.61931066188456 0.69512853705234 0.43859490476653 127.600 > 85 87 Te 0.11931066188456 0.69512853705234 0.93859490476653 127.600 > 85 88 Te 0.61931066188456 0.69512853705234 0.93859490476653 127.600 > 85 89 Te 0.11931066188456 0.80487146294766 0.18859490476653 127.600 > 89 90 Te 0.61931066188456 0.80487146294766 0.18859490476653 127.600 > 89 91 Te 0.11931066188456 0.80487146294766 0.68859490476653 127.600 > 89 92 Te 0.61931066188456 0.80487146294766 0.68859490476653 127.600 > 89 93 Te 0.38068933811544 0.30487146294766 0.06140509523347 127.600 > 93 94 Te 0.88068933811544 0.30487146294766 0.06140509523347 127.600 > 93 95 Te 0.38068933811544 0.30487146294766 0.56140509523347 127.600 > 93 96 Te 0.88068933811544 0.30487146294766 0.56140509523347 127.600 > 93 97 Te 0.41590021924593 0.86472279930362 0.29071593410684 127.600 > 97 98 Te 0.91590021924593 0.86472279930362 0.29071593410684 127.600 > 97 99 Te 0.41590021924593 0.86472279930362 0.79071593410684 127.600 > 97 100 Te 0.91590021924593 0.86472279930362 0.79071593410684 127.600 > 97 101 Te 0.08409978075407 0.36472279930362 0.45928406589316 127.600 > 101 102 Te 0.58409978075407 0.36472279930362 0.45928406589316 127.600 > 101 103 Te 0.08409978075407 0.36472279930362 0.95928406589316 127.600 > 101 104 Te 0.58409978075407 0.36472279930362 0.95928406589316 127.600 > 101 105 Te 0.08409978075407 0.13527720069638 0.20928406589316 127.600 > 105 106 Te 0.58409978075407 0.13527720069638 0.20928406589316 127.600 > 105 107 Te 0.08409978075407 0.13527720069638 0.70928406589316 127.600 > 105 108 Te 0.58409978075407 0.13527720069638 0.70928406589316 127.600 > 105 109 Te 0.41590021924593 0.63527720069638 0.04071593410684 127.600 > 109 110 Te 0.91590021924593 0.63527720069638 0.04071593410684 127.600 > 109 111 Te 0.41590021924593 0.63527720069638 0.54071593410684 127.600 > 109 112 Te 0.91590021924593 0.63527720069638 0.54071593410684 127.600 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.3372085 0.0000000 -0.0193742 0.0000000 5.9993542 0.0000000 -0.0193688 0.0000000 5.8416917 -------------------------- Born effective charges -------------------------- 1 K 0.8457700 0.1581319 -0.1962899 0.1261618 1.4647806 -0.2909746 -0.1004370 -0.1166610 1.1461368 2 K 0.8457700 -0.1581319 -0.1962899 -0.1261618 1.4647806 0.2909746 -0.1004370 0.1166610 1.1461368 3 K 0.8457700 0.1581319 -0.1962899 0.1261618 1.4647806 -0.2909746 -0.1004370 -0.1166610 1.1461368 4 K 0.8457700 -0.1581319 -0.1962899 -0.1261618 1.4647806 0.2909746 -0.1004370 0.1166610 1.1461368 5 K 1.3410040 0.0978510 -0.0621144 0.1224616 1.1123542 -0.2078800 -0.1352001 -0.0331547 1.3409111 6 K 1.3410040 -0.0978510 -0.0621144 -0.1224616 1.1123542 0.2078800 -0.1352001 0.0331547 1.3409111 7 K 1.3410040 0.0978510 -0.0621144 0.1224616 1.1123542 -0.2078800 -0.1352001 -0.0331547 1.3409111 8 K 1.3410040 -0.0978510 -0.0621144 -0.1224616 1.1123542 0.2078800 -0.1352001 0.0331547 1.3409111 9 K 1.4448219 -0.1125837 0.2494491 0.0836745 1.3429521 0.0023396 0.2737410 0.0883018 1.1876782 10 K 1.4448219 0.1125837 0.2494491 -0.0836745 1.3429521 -0.0023396 0.2737410 -0.0883018 1.1876782 11 K 1.4448219 -0.1125837 0.2494491 0.0836745 1.3429521 0.0023396 0.2737410 0.0883018 1.1876782 12 K 1.4448219 0.1125837 0.2494491 -0.0836745 1.3429521 -0.0023396 0.2737410 -0.0883018 1.1876782 13 Sn 1.7590134 0.1015209 -0.6760174 -0.0793072 2.4241426 0.1392986 -0.0760002 -0.1787422 2.0365107 14 Sn 1.7590134 -0.1015209 -0.6760174 0.0793072 2.4241426 -0.1392986 -0.0760002 0.1787422 2.0365107 15 Sn 1.7590134 0.1015209 -0.6760174 -0.0793072 2.4241426 0.1392986 -0.0760002 -0.1787422 2.0365107 16 Sn 1.7590134 -0.1015209 -0.6760174 0.0793072 2.4241426 -0.1392986 -0.0760002 0.1787422 2.0365107 17 Te -1.2784553 -0.1943399 0.2363176 -0.1212685 -1.6582893 -0.0063524 0.1243954 0.2363731 -2.5877561 18 Te -1.2784553 0.1943399 0.2363176 0.1212685 -1.6582893 0.0063524 0.1243954 -0.2363731 -2.5877561 19 Te -1.2784553 -0.1943399 0.2363176 -0.1212685 -1.6582893 -0.0063524 0.1243954 0.2363731 -2.5877561 20 Te -1.2784553 0.1943399 0.2363176 0.1212685 -1.6582893 0.0063524 0.1243954 -0.2363731 -2.5877561 21 Te -1.6747894 -1.0436815 0.1659817 -0.5223017 -2.6693069 -0.0607843 0.0217218 -0.2415643 -1.5126248 22 Te -1.6747894 1.0436815 0.1659817 0.5223017 -2.6693069 0.0607843 0.0217218 0.2415643 -1.5126248 23 Te -1.6747894 -1.0436815 0.1659817 -0.5223017 -2.6693069 -0.0607843 0.0217218 -0.2415643 -1.5126248 24 Te -1.6747894 1.0436815 0.1659817 0.5223017 -2.6693069 0.0607843 0.0217218 0.2415643 -1.5126248 25 Te -2.4373645 0.9949022 0.2826733 0.8135682 -2.0166335 -0.2602375 -0.1082209 -0.0243199 -1.6108558 26 Te -2.4373645 -0.9949022 0.2826733 -0.8135682 -2.0166335 0.2602375 -0.1082209 0.0243199 -1.6108558 27 Te -2.4373645 0.9949022 0.2826733 0.8135682 -2.0166335 -0.2602375 -0.1082209 -0.0243199 -1.6108558 28 Te -2.4373645 -0.9949022 0.2826733 -0.8135682 -2.0166335 0.2602375 -0.1082209 0.0243199 -1.6108558 ---------------------------------------------------------------------------- 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 17, 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:55:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:55:51]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.499489130484676 0.000000000000000 0.000000000000000 b 0.000000000000000 13.637849850000004 0.000000000000000 c -4.203641915918310 0.000000000000000 8.583227583929668 Atomic positions (fractional): 1 K 0.45028773928085 0.27806464814681 0.28789149597128 39.098 2 K 0.54971226071915 0.77806464814681 0.21210850402872 39.098 3 K 0.54971226071915 0.72193535185319 0.71210850402872 39.098 4 K 0.45028773928085 0.22193535185318 0.78789149597128 39.098 5 K 0.21902996326270 0.93738351721422 0.69810312342684 39.098 6 K 0.78097003673730 0.43738351721422 0.80189687657316 39.098 7 K 0.78097003673730 0.06261648278578 0.30189687657316 39.098 8 K 0.21902996326270 0.56261648278578 0.19810312342684 39.098 9 K 0.00355360318778 0.34447800711941 0.51035647158917 39.098 10 K 0.99644639681223 0.84447800711941 0.98964352841083 39.098 11 K 0.99644639681223 0.65552199288059 0.48964352841083 39.098 12 K 0.00355360318778 0.15552199288059 0.01035647158917 39.098 13 Sn 0.65199618132217 0.00892524073689 0.62569029058074 118.710 14 Sn 0.34800381867783 0.50892524073689 0.87430970941926 118.710 15 Sn 0.34800381867783 0.99107475926311 0.37430970941926 118.710 16 Sn 0.65199618132217 0.49107475926311 0.12569029058074 118.710 17 Te 0.63166238475549 0.97649005440711 0.89998127159361 127.600 18 Te 0.36833761524450 0.47649005440711 0.60001872840639 127.600 19 Te 0.36833761524450 0.02350994559289 0.10001872840638 127.600 20 Te 0.63166238475549 0.52350994559289 0.39998127159362 127.600 21 Te 0.76137867623088 0.19512853705234 0.62281019046694 127.600 22 Te 0.23862132376912 0.69512853705234 0.87718980953306 127.600 23 Te 0.23862132376912 0.80487146294766 0.37718980953306 127.600 24 Te 0.76137867623088 0.30487146294766 0.12281019046694 127.600 25 Te 0.83180043849186 0.86472279930362 0.58143186821368 127.600 26 Te 0.16819956150814 0.36472279930362 0.91856813178632 127.600 27 Te 0.16819956150814 0.13527720069638 0.41856813178632 127.600 28 Te 0.83180043849186 0.63527720069638 0.08143186821368 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.998978260969352 0.000000000000000 0.000000000000000 b 0.000000000000000 13.637849850000004 0.000000000000000 c -8.407283831836621 0.000000000000000 17.166455167859336 Atomic positions (fractional): 1 K 0.22514386964042 0.27806464814681 0.14394574798564 39.098 > 1 2 K 0.72514386964042 0.27806464814681 0.14394574798564 39.098 > 1 3 K 0.22514386964042 0.27806464814681 0.64394574798564 39.098 > 1 4 K 0.72514386964042 0.27806464814681 0.64394574798564 39.098 > 1 5 K 0.27485613035958 0.77806464814681 0.10605425201436 39.098 > 5 6 K 0.77485613035958 0.77806464814681 0.10605425201436 39.098 > 5 7 K 0.27485613035958 0.77806464814681 0.60605425201436 39.098 > 5 8 K 0.77485613035958 0.77806464814681 0.60605425201436 39.098 > 5 9 K 0.27485613035958 0.72193535185319 0.35605425201436 39.098 > 9 10 K 0.77485613035958 0.72193535185319 0.35605425201436 39.098 > 9 11 K 0.27485613035958 0.72193535185319 0.85605425201436 39.098 > 9 12 K 0.77485613035958 0.72193535185319 0.85605425201436 39.098 > 9 13 K 0.22514386964042 0.22193535185318 0.39394574798564 39.098 > 13 14 K 0.72514386964042 0.22193535185318 0.39394574798564 39.098 > 13 15 K 0.22514386964042 0.22193535185318 0.89394574798564 39.098 > 13 16 K 0.72514386964042 0.22193535185318 0.89394574798564 39.098 > 13 17 K 0.10951498163135 0.93738351721422 0.34905156171342 39.098 > 17 18 K 0.60951498163135 0.93738351721422 0.34905156171342 39.098 > 17 19 K 0.10951498163135 0.93738351721422 0.84905156171342 39.098 > 17 20 K 0.60951498163135 0.93738351721422 0.84905156171342 39.098 > 17 21 K 0.39048501836865 0.43738351721422 0.40094843828658 39.098 > 21 22 K 0.89048501836865 0.43738351721422 0.40094843828658 39.098 > 21 23 K 0.39048501836865 0.43738351721422 0.90094843828658 39.098 > 21 24 K 0.89048501836865 0.43738351721422 0.90094843828658 39.098 > 21 25 K 0.39048501836865 0.06261648278578 0.15094843828658 39.098 > 25 26 K 0.89048501836865 0.06261648278578 0.15094843828658 39.098 > 25 27 K 0.39048501836865 0.06261648278578 0.65094843828658 39.098 > 25 28 K 0.89048501836865 0.06261648278578 0.65094843828658 39.098 > 25 29 K 0.10951498163135 0.56261648278578 0.09905156171342 39.098 > 29 30 K 0.60951498163135 0.56261648278578 0.09905156171342 39.098 > 29 31 K 0.10951498163135 0.56261648278578 0.59905156171342 39.098 > 29 32 K 0.60951498163135 0.56261648278578 0.59905156171342 39.098 > 29 33 K 0.00177680159389 0.34447800711941 0.25517823579458 39.098 > 33 34 K 0.50177680159389 0.34447800711941 0.25517823579458 39.098 > 33 35 K 0.00177680159389 0.34447800711941 0.75517823579458 39.098 > 33 36 K 0.50177680159389 0.34447800711941 0.75517823579458 39.098 > 33 37 K 0.49822319840611 0.84447800711941 0.49482176420542 39.098 > 37 38 K 0.99822319840611 0.84447800711941 0.49482176420542 39.098 > 37 39 K 0.49822319840611 0.84447800711941 0.99482176420542 39.098 > 37 40 K 0.99822319840611 0.84447800711941 0.99482176420542 39.098 > 37 41 K 0.49822319840611 0.65552199288059 0.24482176420542 39.098 > 41 42 K 0.99822319840611 0.65552199288059 0.24482176420542 39.098 > 41 43 K 0.49822319840611 0.65552199288059 0.74482176420542 39.098 > 41 44 K 0.99822319840611 0.65552199288059 0.74482176420542 39.098 > 41 45 K 0.00177680159389 0.15552199288059 0.00517823579458 39.098 > 45 46 K 0.50177680159389 0.15552199288059 0.00517823579458 39.098 > 45 47 K 0.00177680159389 0.15552199288059 0.50517823579458 39.098 > 45 48 K 0.50177680159389 0.15552199288059 0.50517823579458 39.098 > 45 49 Sn 0.32599809066108 0.00892524073689 0.31284514529037 118.710 > 49 50 Sn 0.82599809066108 0.00892524073689 0.31284514529037 118.710 > 49 51 Sn 0.32599809066108 0.00892524073689 0.81284514529037 118.710 > 49 52 Sn 0.82599809066108 0.00892524073689 0.81284514529037 118.710 > 49 53 Sn 0.17400190933892 0.50892524073689 0.43715485470963 118.710 > 53 54 Sn 0.67400190933892 0.50892524073689 0.43715485470963 118.710 > 53 55 Sn 0.17400190933892 0.50892524073689 0.93715485470963 118.710 > 53 56 Sn 0.67400190933892 0.50892524073689 0.93715485470963 118.710 > 53 57 Sn 0.17400190933892 0.99107475926311 0.18715485470963 118.710 > 57 58 Sn 0.67400190933892 0.99107475926311 0.18715485470963 118.710 > 57 59 Sn 0.17400190933892 0.99107475926311 0.68715485470963 118.710 > 57 60 Sn 0.67400190933892 0.99107475926311 0.68715485470963 118.710 > 57 61 Sn 0.32599809066108 0.49107475926311 0.06284514529037 118.710 > 61 62 Sn 0.82599809066108 0.49107475926311 0.06284514529037 118.710 > 61 63 Sn 0.32599809066108 0.49107475926311 0.56284514529037 118.710 > 61 64 Sn 0.82599809066108 0.49107475926311 0.56284514529037 118.710 > 61 65 Te 0.31583119237775 0.97649005440711 0.44999063579681 127.600 > 65 66 Te 0.81583119237775 0.97649005440711 0.44999063579681 127.600 > 65 67 Te 0.31583119237775 0.97649005440711 0.94999063579681 127.600 > 65 68 Te 0.81583119237775 0.97649005440711 0.94999063579681 127.600 > 65 69 Te 0.18416880762225 0.47649005440711 0.30000936420319 127.600 > 69 70 Te 0.68416880762225 0.47649005440711 0.30000936420319 127.600 > 69 71 Te 0.18416880762225 0.47649005440711 0.80000936420319 127.600 > 69 72 Te 0.68416880762225 0.47649005440711 0.80000936420319 127.600 > 69 73 Te 0.18416880762225 0.02350994559289 0.05000936420319 127.600 > 73 74 Te 0.68416880762225 0.02350994559289 0.05000936420319 127.600 > 73 75 Te 0.18416880762225 0.02350994559289 0.55000936420319 127.600 > 73 76 Te 0.68416880762225 0.02350994559289 0.55000936420319 127.600 > 73 77 Te 0.31583119237775 0.52350994559289 0.19999063579681 127.600 > 77 78 Te 0.81583119237775 0.52350994559289 0.19999063579681 127.600 > 77 79 Te 0.31583119237775 0.52350994559289 0.69999063579681 127.600 > 77 80 Te 0.81583119237775 0.52350994559289 0.69999063579681 127.600 > 77 81 Te 0.38068933811544 0.19512853705234 0.31140509523347 127.600 > 81 82 Te 0.88068933811544 0.19512853705234 0.31140509523347 127.600 > 81 83 Te 0.38068933811544 0.19512853705234 0.81140509523347 127.600 > 81 84 Te 0.88068933811544 0.19512853705234 0.81140509523347 127.600 > 81 85 Te 0.11931066188456 0.69512853705234 0.43859490476653 127.600 > 85 86 Te 0.61931066188456 0.69512853705234 0.43859490476653 127.600 > 85 87 Te 0.11931066188456 0.69512853705234 0.93859490476653 127.600 > 85 88 Te 0.61931066188456 0.69512853705234 0.93859490476653 127.600 > 85 89 Te 0.11931066188456 0.80487146294766 0.18859490476653 127.600 > 89 90 Te 0.61931066188456 0.80487146294766 0.18859490476653 127.600 > 89 91 Te 0.11931066188456 0.80487146294766 0.68859490476653 127.600 > 89 92 Te 0.61931066188456 0.80487146294766 0.68859490476653 127.600 > 89 93 Te 0.38068933811544 0.30487146294766 0.06140509523347 127.600 > 93 94 Te 0.88068933811544 0.30487146294766 0.06140509523347 127.600 > 93 95 Te 0.38068933811544 0.30487146294766 0.56140509523347 127.600 > 93 96 Te 0.88068933811544 0.30487146294766 0.56140509523347 127.600 > 93 97 Te 0.41590021924593 0.86472279930362 0.29071593410684 127.600 > 97 98 Te 0.91590021924593 0.86472279930362 0.29071593410684 127.600 > 97 99 Te 0.41590021924593 0.86472279930362 0.79071593410684 127.600 > 97 100 Te 0.91590021924593 0.86472279930362 0.79071593410684 127.600 > 97 101 Te 0.08409978075407 0.36472279930362 0.45928406589316 127.600 > 101 102 Te 0.58409978075407 0.36472279930362 0.45928406589316 127.600 > 101 103 Te 0.08409978075407 0.36472279930362 0.95928406589316 127.600 > 101 104 Te 0.58409978075407 0.36472279930362 0.95928406589316 127.600 > 101 105 Te 0.08409978075407 0.13527720069638 0.20928406589316 127.600 > 105 106 Te 0.58409978075407 0.13527720069638 0.20928406589316 127.600 > 105 107 Te 0.08409978075407 0.13527720069638 0.70928406589316 127.600 > 105 108 Te 0.58409978075407 0.13527720069638 0.70928406589316 127.600 > 105 109 Te 0.41590021924593 0.63527720069638 0.04071593410684 127.600 > 109 110 Te 0.91590021924593 0.63527720069638 0.04071593410684 127.600 > 109 111 Te 0.41590021924593 0.63527720069638 0.54071593410684 127.600 > 109 112 Te 0.91590021924593 0.63527720069638 0.54071593410684 127.600 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.3372085 0.0000000 -0.0193742 0.0000000 5.9993542 0.0000000 -0.0193688 0.0000000 5.8416917 -------------------------- Born effective charges -------------------------- 1 K 0.8457700 0.1581319 -0.1962899 0.1261618 1.4647806 -0.2909746 -0.1004370 -0.1166610 1.1461368 2 K 0.8457700 -0.1581319 -0.1962899 -0.1261618 1.4647806 0.2909746 -0.1004370 0.1166610 1.1461368 3 K 0.8457700 0.1581319 -0.1962899 0.1261618 1.4647806 -0.2909746 -0.1004370 -0.1166610 1.1461368 4 K 0.8457700 -0.1581319 -0.1962899 -0.1261618 1.4647806 0.2909746 -0.1004370 0.1166610 1.1461368 5 K 1.3410040 0.0978510 -0.0621144 0.1224616 1.1123542 -0.2078800 -0.1352001 -0.0331547 1.3409111 6 K 1.3410040 -0.0978510 -0.0621144 -0.1224616 1.1123542 0.2078800 -0.1352001 0.0331547 1.3409111 7 K 1.3410040 0.0978510 -0.0621144 0.1224616 1.1123542 -0.2078800 -0.1352001 -0.0331547 1.3409111 8 K 1.3410040 -0.0978510 -0.0621144 -0.1224616 1.1123542 0.2078800 -0.1352001 0.0331547 1.3409111 9 K 1.4448219 -0.1125837 0.2494491 0.0836745 1.3429521 0.0023396 0.2737410 0.0883018 1.1876782 10 K 1.4448219 0.1125837 0.2494491 -0.0836745 1.3429521 -0.0023396 0.2737410 -0.0883018 1.1876782 11 K 1.4448219 -0.1125837 0.2494491 0.0836745 1.3429521 0.0023396 0.2737410 0.0883018 1.1876782 12 K 1.4448219 0.1125837 0.2494491 -0.0836745 1.3429521 -0.0023396 0.2737410 -0.0883018 1.1876782 13 Sn 1.7590134 0.1015209 -0.6760174 -0.0793072 2.4241426 0.1392986 -0.0760002 -0.1787422 2.0365107 14 Sn 1.7590134 -0.1015209 -0.6760174 0.0793072 2.4241426 -0.1392986 -0.0760002 0.1787422 2.0365107 15 Sn 1.7590134 0.1015209 -0.6760174 -0.0793072 2.4241426 0.1392986 -0.0760002 -0.1787422 2.0365107 16 Sn 1.7590134 -0.1015209 -0.6760174 0.0793072 2.4241426 -0.1392986 -0.0760002 0.1787422 2.0365107 17 Te -1.2784553 -0.1943399 0.2363176 -0.1212685 -1.6582893 -0.0063524 0.1243954 0.2363731 -2.5877561 18 Te -1.2784553 0.1943399 0.2363176 0.1212685 -1.6582893 0.0063524 0.1243954 -0.2363731 -2.5877561 19 Te -1.2784553 -0.1943399 0.2363176 -0.1212685 -1.6582893 -0.0063524 0.1243954 0.2363731 -2.5877561 20 Te -1.2784553 0.1943399 0.2363176 0.1212685 -1.6582893 0.0063524 0.1243954 -0.2363731 -2.5877561 21 Te -1.6747894 -1.0436815 0.1659817 -0.5223017 -2.6693069 -0.0607843 0.0217218 -0.2415643 -1.5126248 22 Te -1.6747894 1.0436815 0.1659817 0.5223017 -2.6693069 0.0607843 0.0217218 0.2415643 -1.5126248 23 Te -1.6747894 -1.0436815 0.1659817 -0.5223017 -2.6693069 -0.0607843 0.0217218 -0.2415643 -1.5126248 24 Te -1.6747894 1.0436815 0.1659817 0.5223017 -2.6693069 0.0607843 0.0217218 0.2415643 -1.5126248 25 Te -2.4373645 0.9949022 0.2826733 0.8135682 -2.0166335 -0.2602375 -0.1082209 -0.0243199 -1.6108558 26 Te -2.4373645 -0.9949022 0.2826733 -0.8135682 -2.0166335 0.2602375 -0.1082209 0.0243199 -1.6108558 27 Te -2.4373645 0.9949022 0.2826733 0.8135682 -2.0166335 -0.2602375 -0.1082209 -0.0243199 -1.6108558 28 Te -2.4373645 -0.9949022 0.2826733 -0.8135682 -2.0166335 0.2602375 -0.1082209 0.0243199 -1.6108558 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 4 6 ] 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: 0.40, Number of G-points: 301, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 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 0.663 ( 0.000 0.000 0.000) 0.000 0.703 ( 0.000 0.000 0.000) 0.000 0.803 ( 0.000 0.000 0.000) 0.000 0.819 ( 0.000 0.000 0.000) 0.000 0.850 ( 0.000 0.000 0.000) 0.000 0.937 ( 0.000 0.000 0.000) 0.000 1.019 ( 0.000 0.000 0.000) 0.000 1.031 ( 0.000 0.000 0.000) 0.000 1.044 ( 0.000 0.000 0.000) 0.000 1.126 ( 0.000 0.000 0.000) 0.000 1.154 ( 0.000 0.000 0.000) 0.000 1.205 ( 0.000 0.000 0.000) 0.000 1.289 ( 0.000 0.000 0.000) 0.000 1.327 ( 0.000 0.000 0.000) 0.000 1.358 ( 0.000 0.000 0.000) 0.000 1.387 ( 0.000 0.000 0.000) 0.000 1.416 ( 0.000 0.000 0.000) 0.000 1.463 ( 0.000 0.000 0.000) 0.000 1.554 ( 0.000 0.000 0.000) 0.000 1.602 ( 0.000 0.000 0.000) 0.000 1.614 ( 0.000 0.000 0.000) 0.000 1.623 ( 0.000 0.000 0.000) 0.000 1.631 ( 0.000 0.000 0.000) 0.000 1.717 ( 0.000 0.000 0.000) 0.000 1.736 ( 0.000 0.000 0.000) 0.000 1.760 ( 0.000 0.000 0.000) 0.000 1.871 ( 0.000 0.000 0.000) 0.000 1.875 ( 0.000 0.000 0.000) 0.000 1.908 ( 0.000 0.000 0.000) 0.000 1.943 ( 0.000 0.000 0.000) 0.000 1.961 ( 0.000 0.000 0.000) 0.000 1.961 ( 0.000 0.000 0.000) 0.000 1.970 ( 0.000 0.000 0.000) 0.000 2.010 ( 0.000 0.000 0.000) 0.000 2.046 ( 0.000 0.000 0.000) 0.000 2.101 ( 0.000 0.000 0.000) 0.000 2.140 ( 0.000 0.000 0.000) 0.000 2.196 ( 0.000 0.000 0.000) 0.000 2.221 ( 0.000 0.000 0.000) 0.000 2.301 ( 0.000 0.000 0.000) 0.000 2.370 ( 0.000 0.000 0.000) 0.000 2.372 ( 0.000 0.000 0.000) 0.000 2.380 ( 0.000 0.000 0.000) 0.000 2.457 ( 0.000 0.000 0.000) 0.000 2.530 ( 0.000 0.000 0.000) 0.000 2.534 ( 0.000 0.000 0.000) 0.000 2.581 ( 0.000 0.000 0.000) 0.000 2.612 ( 0.000 0.000 0.000) 0.000 2.664 ( 0.000 0.000 0.000) 0.000 2.702 ( 0.000 0.000 0.000) 0.000 2.737 ( 0.000 0.000 0.000) 0.000 2.851 ( 0.000 0.000 0.000) 0.000 2.925 ( 0.000 0.000 0.000) 0.000 2.940 ( 0.000 0.000 0.000) 0.000 2.975 ( 0.000 0.000 0.000) 0.000 3.443 ( 0.000 0.000 0.000) 0.000 3.446 ( 0.000 0.000 0.000) 0.000 3.519 ( 0.000 0.000 0.000) 0.000 3.526 ( 0.000 0.000 0.000) 0.000 3.558 ( 0.000 0.000 0.000) 0.000 3.571 ( 0.000 0.000 0.000) 0.000 3.660 ( 0.000 0.000 0.000) 0.000 3.661 ( 0.000 0.000 0.000) 0.000 3.696 ( 0.000 0.000 0.000) 0.000 3.785 ( 0.000 0.000 0.000) 0.000 3.795 ( 0.000 0.000 0.000) 0.000 3.839 ( 0.000 0.000 0.000) 0.000 3.859 ( 0.000 0.000 0.000) 0.000 3.958 ( 0.000 0.000 0.000) 0.000 4.250 ( 0.000 0.000 0.000) 0.000 4.295 ( 0.000 0.000 0.000) 0.000 5.458 ( 0.000 0.000 0.000) 0.000 5.519 ( 0.000 0.000 0.000) 0.000 5.553 ( 0.000 0.000 0.000) 0.000 5.584 ( 0.000 0.000 0.000) 0.000 5.592 ( 0.000 0.000 0.000) 0.000 5.680 ( 0.000 0.000 0.000) 0.000 5.698 ( 0.000 0.000 0.000) 0.000 5.726 ( 0.000 0.000 0.000) 0.000 5.792 ( 0.000 0.000 0.000) 0.000 5.833 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.257 ( 10.639 0.000 7.123) 12.803 0.287 ( 14.594 0.000 3.171) 14.935 0.515 ( 18.084 0.000 18.259) 25.698 0.704 ( 1.040 0.000 -1.939) 2.200 0.704 ( 0.874 0.000 5.794) 5.859 0.811 ( -0.153 0.000 -2.190) 2.195 0.823 ( 1.623 0.000 1.677) 2.334 0.882 ( 4.548 0.000 -0.607) 4.589 0.948 ( 0.296 0.000 2.364) 2.382 1.015 ( -1.009 0.000 -2.318) 2.528 1.052 ( -0.354 0.000 -4.320) 4.334 1.065 ( 2.430 0.000 -0.902) 2.593 1.119 ( -0.740 0.000 0.701) 1.019 1.136 ( -1.067 0.000 -3.019) 3.202 1.204 ( 0.924 0.000 -1.745) 1.974 1.248 ( -5.203 0.000 -3.882) 6.492 1.274 ( -1.237 0.000 -1.912) 2.277 1.370 ( 0.930 0.000 -3.367) 3.493 1.389 ( 0.680 0.000 0.451) 0.816 1.409 ( -2.308 0.000 2.088) 3.113 1.462 ( -1.217 0.000 0.217) 1.236 1.539 ( -4.044 0.000 1.795) 4.424 1.543 ( -3.426 0.000 2.040) 3.987 1.612 ( -0.698 0.000 1.049) 1.260 1.642 ( -1.244 0.000 -2.872) 3.130 1.710 ( 1.034 0.000 3.970) 4.103 1.711 ( -2.894 0.000 1.693) 3.353 1.757 ( 0.008 0.000 -0.076) 0.076 1.767 ( 3.979 0.000 -0.361) 3.995 1.821 ( -0.097 0.000 -4.707) 4.708 1.859 ( -2.146 0.000 -2.066) 2.979 1.887 ( -2.239 0.000 -2.731) 3.531 1.904 ( -6.139 0.000 -0.279) 6.145 1.922 ( 0.637 0.000 3.117) 3.181 1.974 ( 0.979 0.000 -4.598) 4.701 2.006 ( 1.784 0.000 3.813) 4.210 2.021 ( 1.414 0.000 -1.544) 2.094 2.060 ( 0.900 0.000 -1.198) 1.498 2.142 ( 2.581 0.000 -1.713) 3.098 2.146 ( 0.859 0.000 0.320) 0.917 2.185 ( 1.579 0.000 -4.662) 4.922 2.264 ( 2.006 0.000 1.872) 2.744 2.307 ( 0.122 0.000 -0.391) 0.409 2.322 ( -1.931 0.000 -1.981) 2.766 2.385 ( 0.806 0.000 0.497) 0.947 2.425 ( 1.408 0.000 3.422) 3.701 2.477 ( 1.386 0.000 1.233) 1.855 2.518 ( -1.148 0.000 -0.281) 1.182 2.547 ( -1.195 0.000 0.469) 1.284 2.564 ( -1.570 0.000 -1.450) 2.137 2.592 ( -1.646 0.000 0.550) 1.736 2.709 ( 1.658 0.000 -1.847) 2.482 2.729 ( 0.500 0.000 -2.204) 2.260 2.785 ( 1.285 0.000 -3.642) 3.862 2.845 ( -0.649 0.000 -0.553) 0.853 2.921 ( -1.957 0.000 2.877) 3.479 2.947 ( 1.904 0.000 -1.657) 2.525 3.006 ( -0.082 0.000 5.609) 5.610 3.431 ( -0.322 0.000 -1.715) 1.745 3.444 ( 0.006 0.000 -0.116) 0.116 3.504 ( -0.751 0.000 -0.974) 1.230 3.522 ( 0.807 0.000 -1.842) 2.011 3.548 ( -0.444 0.000 0.042) 0.446 3.613 ( 2.052 0.000 -0.393) 2.090 3.647 ( -0.810 0.000 0.567) 0.989 3.669 ( -1.696 0.000 -2.556) 3.067 3.771 ( 2.217 0.000 -3.041) 3.763 3.803 ( 0.561 0.000 1.400) 1.508 3.872 ( 0.530 0.000 3.085) 3.131 3.886 ( 1.848 0.000 1.992) 2.717 3.980 ( 3.081 0.000 0.305) 3.096 3.980 ( -5.331 0.000 10.233) 11.539 4.235 ( -0.835 0.000 -1.585) 1.791 4.479 ( -5.002 0.000 7.972) 9.411 5.477 ( 1.329 0.000 1.311) 1.867 5.489 ( -1.594 0.000 -2.004) 2.561 5.560 ( 0.778 0.000 -0.010) 0.778 5.616 ( 1.162 0.000 1.608) 1.984 5.636 ( 4.436 0.000 -8.136) 9.266 5.653 ( -1.909 0.000 0.385) 1.948 5.706 ( 0.403 0.000 -0.474) 0.622 5.756 ( 2.110 0.000 0.786) 2.252 5.776 ( -1.318 0.000 -0.944) 1.621 5.826 ( -0.743 0.000 -0.199) 0.769 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 8.456 0.000 5.733) 10.216 0.555 ( 12.618 0.000 2.246) 12.817 0.712 ( 1.185 0.000 -1.006) 1.554 0.754 ( -0.164 0.000 5.514) 5.516 0.785 ( 0.318 0.000 -2.713) 2.731 0.836 ( 1.954 0.000 6.579) 6.863 0.931 ( 3.470 0.000 5.490) 6.495 0.953 ( -2.419 0.000 -2.415) 3.418 0.957 ( 1.153 0.000 1.350) 1.775 0.999 ( -0.756 0.000 -2.268) 2.391 1.011 ( 4.739 0.000 1.892) 5.103 1.086 ( 4.142 0.000 -2.007) 4.602 1.100 ( 2.642 0.000 -2.407) 3.575 1.112 ( -4.647 0.000 -2.053) 5.080 1.170 ( 0.122 0.000 -0.191) 0.227 1.212 ( 0.962 0.000 -0.586) 1.126 1.218 ( -0.628 0.000 0.973) 1.158 1.360 ( -3.084 0.000 1.896) 3.620 1.379 ( 2.351 0.000 -1.521) 2.800 1.407 ( 0.276 0.000 -0.974) 1.012 1.458 ( -0.093 0.000 2.019) 2.022 1.465 ( -4.858 0.000 -0.802) 4.924 1.504 ( -3.081 0.000 3.970) 5.026 1.543 ( -4.823 0.000 -3.865) 6.181 1.597 ( -2.991 0.000 0.684) 3.069 1.714 ( 0.267 0.000 -1.489) 1.512 1.729 ( -1.974 0.000 1.104) 2.262 1.745 ( -0.715 0.000 1.406) 1.578 1.783 ( -0.386 0.000 -2.530) 2.559 1.798 ( -2.738 0.000 0.528) 2.789 1.821 ( -0.666 0.000 -4.314) 4.365 1.846 ( 1.871 0.000 -2.042) 2.769 1.854 ( 1.704 0.000 3.479) 3.874 1.941 ( 1.297 0.000 -4.882) 5.051 1.955 ( -0.032 0.000 1.952) 1.952 2.012 ( -0.959 0.000 -1.223) 1.554 2.032 ( 0.092 0.000 -1.590) 1.593 2.065 ( -0.283 0.000 0.995) 1.035 2.169 ( 0.867 0.000 0.710) 1.120 2.178 ( 3.529 0.000 -3.682) 5.100 2.218 ( 4.742 0.000 0.096) 4.743 2.271 ( -1.831 0.000 -0.631) 1.937 2.294 ( -0.542 0.000 2.247) 2.311 2.300 ( -0.368 0.000 -0.868) 0.942 2.391 ( -0.735 0.000 0.135) 0.747 2.484 ( 1.497 0.000 3.024) 3.374 2.497 ( -1.764 0.000 -1.656) 2.420 2.501 ( 0.186 0.000 -1.123) 1.138 2.512 ( -1.657 0.000 0.470) 1.722 2.525 ( -0.697 0.000 0.280) 0.751 2.576 ( -0.676 0.000 0.190) 0.702 2.721 ( 0.669 0.000 -1.755) 1.878 2.723 ( 1.191 0.000 -1.069) 1.600 2.759 ( -2.389 0.000 0.916) 2.558 2.836 ( 1.244 0.000 -2.839) 3.099 2.906 ( -2.153 0.000 2.369) 3.201 2.978 ( 3.177 0.000 -1.927) 3.716 3.038 ( -2.028 0.000 5.136) 5.522 3.411 ( -0.143 0.000 -1.426) 1.433 3.452 ( 0.794 0.000 -0.193) 0.817 3.482 ( -0.650 0.000 -0.829) 1.053 3.516 ( -0.415 0.000 -0.328) 0.529 3.565 ( 2.429 0.000 -0.891) 2.587 3.617 ( -1.555 0.000 -1.687) 2.294 3.639 ( 1.247 0.000 0.140) 1.255 3.653 ( -0.350 0.000 2.577) 2.601 3.763 ( 0.176 0.000 -3.098) 3.103 3.827 ( 0.447 0.000 1.175) 1.257 3.881 ( -0.068 0.000 0.391) 0.397 3.937 ( 0.983 0.000 1.902) 2.141 3.971 ( -2.234 0.000 3.357) 4.032 4.064 ( 3.713 0.000 2.621) 4.545 4.200 ( -0.905 0.000 -2.372) 2.538 4.459 ( -2.087 0.000 2.383) 3.168 5.447 ( -1.149 0.000 -1.498) 1.888 5.513 ( 0.876 0.000 1.659) 1.876 5.577 ( 1.556 0.000 -0.911) 1.803 5.629 ( -1.083 0.000 0.514) 1.198 5.648 ( 0.824 0.000 1.136) 1.403 5.654 ( 2.077 0.000 -1.086) 2.344 5.707 ( 0.136 0.000 -0.360) 0.385 5.736 ( -1.861 0.000 -1.377) 2.315 5.795 ( 1.459 0.000 0.505) 1.544 5.807 ( -0.957 0.000 -0.411) 1.041 ======================= Grid point 3 (4/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 0.000 0.000 0.000) 0.000 0.716 ( 0.000 0.000 -0.000) 0.000 0.719 ( 0.000 0.000 0.000) 0.000 0.763 ( 0.000 0.000 0.000) 0.000 0.783 ( 0.000 0.000 0.000) 0.000 0.890 ( -0.000 0.000 -0.000) 0.000 0.892 ( 0.000 0.000 0.000) 0.000 0.919 ( -0.000 0.000 0.000) 0.000 0.969 ( 0.000 0.000 -0.000) 0.000 0.979 ( 0.000 0.000 0.000) 0.000 1.002 ( -0.000 0.000 0.000) 0.000 1.109 ( 0.000 0.000 0.000) 0.000 1.116 ( 0.000 0.000 0.000) 0.000 1.136 ( 0.000 0.000 0.000) 0.000 1.211 ( 0.000 0.000 0.000) 0.000 1.231 ( 0.000 0.000 0.000) 0.000 1.254 ( 0.000 0.000 -0.000) 0.000 1.336 ( 0.000 0.000 0.000) 0.000 1.373 ( 0.000 0.000 0.000) 0.000 1.407 ( 0.000 0.000 -0.000) 0.000 1.428 ( 0.000 0.000 0.000) 0.000 1.467 ( 0.000 0.000 0.000) 0.000 1.468 ( -0.000 0.000 0.000) 0.000 1.521 ( 0.000 0.000 0.000) 0.000 1.534 ( -0.000 0.000 -0.000) 0.000 1.696 ( 0.000 0.000 0.000) 0.000 1.696 ( 0.000 0.000 0.000) 0.000 1.750 ( 0.000 0.000 0.000) 0.000 1.770 ( 0.000 0.000 0.000) 0.000 1.775 ( 0.000 0.000 0.000) 0.000 1.796 ( 0.000 0.000 0.000) 0.000 1.847 ( 0.000 0.000 0.000) 0.000 1.930 ( 0.000 0.000 0.000) 0.000 1.932 ( -0.000 0.000 -0.000) 0.000 1.961 ( 0.000 0.000 0.000) 0.000 1.976 ( -0.000 0.000 0.000) 0.000 2.023 ( -0.000 0.000 0.000) 0.000 2.058 ( 0.000 0.000 0.000) 0.000 2.183 ( 0.000 0.000 0.000) 0.000 2.202 ( 0.000 0.000 0.000) 0.000 2.247 ( 0.000 0.000 0.000) 0.000 2.280 ( 0.000 0.000 0.000) 0.000 2.296 ( 0.000 0.000 0.000) 0.000 2.305 ( 0.000 0.000 0.000) 0.000 2.375 ( 0.000 0.000 0.000) 0.000 2.443 ( 0.000 0.000 0.000) 0.000 2.485 ( 0.000 0.000 0.000) 0.000 2.509 ( 0.000 0.000 0.000) 0.000 2.517 ( 0.000 0.000 0.000) 0.000 2.527 ( 0.000 0.000 -0.000) 0.000 2.571 ( 0.000 0.000 0.000) 0.000 2.725 ( -0.000 0.000 0.000) 0.000 2.729 ( 0.000 0.000 0.000) 0.000 2.734 ( 0.000 0.000 -0.000) 0.000 2.835 ( 0.000 0.000 0.000) 0.000 2.896 ( 0.000 0.000 0.000) 0.000 3.010 ( 0.000 0.000 0.000) 0.000 3.030 ( 0.000 0.000 0.000) 0.000 3.404 ( 0.000 0.000 0.000) 0.000 3.456 ( 0.000 0.000 0.000) 0.000 3.476 ( 0.000 0.000 0.000) 0.000 3.510 ( 0.000 0.000 0.000) 0.000 3.587 ( 0.000 0.000 0.000) 0.000 3.596 ( 0.000 0.000 0.000) 0.000 3.656 ( -0.000 0.000 0.000) 0.000 3.667 ( 0.000 0.000 -0.000) 0.000 3.741 ( 0.000 0.000 0.000) 0.000 3.836 ( 0.000 0.000 0.000) 0.000 3.884 ( 0.000 0.000 0.000) 0.000 3.953 ( 0.000 0.000 0.000) 0.000 3.965 ( 0.000 0.000 0.000) 0.000 4.115 ( 0.000 0.000 0.000) 0.000 4.177 ( 0.000 0.000 0.000) 0.000 4.451 ( 0.000 0.000 0.000) 0.000 5.430 ( 0.000 0.000 0.000) 0.000 5.528 ( 0.000 0.000 0.000) 0.000 5.590 ( 0.000 0.000 0.000) 0.000 5.622 ( 0.000 0.000 0.000) 0.000 5.661 ( 0.000 0.000 0.000) 0.000 5.678 ( 0.000 0.000 0.000) 0.000 5.703 ( 0.000 0.000 0.000) 0.000 5.706 ( 0.000 0.000 0.000) 0.000 5.794 ( 0.000 0.000 0.000) 0.000 5.811 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.198 ( 0.000 11.071 0.000) 11.071 0.232 ( 0.000 12.377 0.000) 12.377 0.421 ( 0.000 21.002 0.000) 21.002 0.581 ( 0.000 -7.305 0.000) 7.305 0.634 ( 0.000 -8.798 0.000) 8.798 0.752 ( 0.000 -0.287 0.000) 0.287 0.789 ( 0.000 -5.720 0.000) 5.720 0.901 ( 0.000 4.279 0.000) 4.279 0.939 ( 0.000 -0.640 0.000) 0.640 0.956 ( 0.000 -2.817 0.000) 2.817 1.014 ( 0.000 -2.439 0.000) 2.439 1.050 ( 0.000 -3.460 0.000) 3.460 1.134 ( 0.000 -0.182 0.000) 0.182 1.160 ( 0.000 -3.091 0.000) 3.091 1.170 ( 0.000 2.430 0.000) 2.430 1.274 ( 0.000 -1.686 0.000) 1.686 1.351 ( 0.000 -0.237 0.000) 0.237 1.353 ( 0.000 1.394 0.000) 1.394 1.406 ( 0.000 0.561 0.000) 0.561 1.445 ( 0.000 -2.615 0.000) 2.615 1.483 ( 0.000 2.670 0.000) 2.670 1.549 ( 0.000 1.246 0.000) 1.246 1.596 ( 0.000 -0.269 0.000) 0.269 1.614 ( 0.000 0.024 0.000) 0.024 1.653 ( 0.000 1.695 0.000) 1.695 1.686 ( 0.000 4.947 0.000) 4.947 1.699 ( 0.000 -1.426 0.000) 1.426 1.745 ( 0.000 0.918 0.000) 0.918 1.759 ( 0.000 -0.978 0.000) 0.978 1.860 ( 0.000 -0.038 0.000) 0.038 1.886 ( 0.000 -1.990 0.000) 1.990 1.923 ( 0.000 1.485 0.000) 1.485 1.937 ( 0.000 -3.006 0.000) 3.006 1.974 ( 0.000 -0.130 0.000) 0.130 1.990 ( 0.000 2.959 0.000) 2.959 1.997 ( 0.000 2.366 0.000) 2.366 2.024 ( 0.000 0.906 0.000) 0.906 2.045 ( 0.000 0.936 0.000) 0.936 2.099 ( 0.000 -0.551 0.000) 0.551 2.123 ( 0.000 -2.560 0.000) 2.560 2.200 ( 0.000 -2.140 0.000) 2.140 2.233 ( 0.000 -2.832 0.000) 2.832 2.306 ( 0.000 0.912 0.000) 0.912 2.378 ( 0.000 0.002 0.000) 0.002 2.421 ( 0.000 -2.654 0.000) 2.654 2.431 ( 0.000 0.613 0.000) 0.613 2.506 ( 0.000 0.388 0.000) 0.388 2.551 ( 0.000 1.502 0.000) 1.502 2.555 ( 0.000 1.451 0.000) 1.451 2.591 ( 0.000 -2.049 0.000) 2.049 2.667 ( 0.000 0.592 0.000) 0.592 2.726 ( 0.000 -1.312 0.000) 1.312 2.744 ( 0.000 3.840 0.000) 3.840 2.832 ( 0.000 -0.468 0.000) 0.468 2.871 ( 0.000 1.735 0.000) 1.735 2.919 ( 0.000 -0.683 0.000) 0.683 2.945 ( 0.000 0.540 0.000) 0.540 2.979 ( 0.000 -0.857 0.000) 0.857 3.452 ( 0.000 0.626 0.000) 0.626 3.470 ( 0.000 -0.113 0.000) 0.113 3.508 ( 0.000 -0.887 0.000) 0.887 3.514 ( 0.000 -1.168 0.000) 1.168 3.571 ( 0.000 1.193 0.000) 1.193 3.578 ( 0.000 0.576 0.000) 0.576 3.651 ( 0.000 -0.680 0.000) 0.680 3.658 ( 0.000 -0.410 0.000) 0.410 3.775 ( 0.000 -0.703 0.000) 0.703 3.775 ( 0.000 -0.700 0.000) 0.700 3.815 ( 0.000 1.586 0.000) 1.586 3.843 ( 0.000 0.189 0.000) 0.189 3.902 ( 0.000 0.829 0.000) 0.829 3.948 ( 0.000 -1.068 0.000) 1.068 4.262 ( 0.000 0.448 0.000) 0.448 4.288 ( 0.000 -0.667 0.000) 0.667 5.466 ( 0.000 0.873 0.000) 0.873 5.508 ( 0.000 -1.044 0.000) 1.044 5.571 ( 0.000 1.861 0.000) 1.861 5.600 ( 0.000 1.469 0.000) 1.469 5.666 ( 0.000 -1.213 0.000) 1.213 5.673 ( 0.000 -2.406 0.000) 2.406 5.736 ( 0.000 1.041 0.000) 1.041 5.783 ( 0.000 -0.954 0.000) 0.954 5.851 ( 0.000 1.661 0.000) 1.661 5.911 ( 0.000 -1.060 0.000) 1.060 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.323 ( 10.460 5.979 2.875) 12.387 0.393 ( 8.284 8.618 4.951) 12.939 0.591 ( 9.474 6.477 12.004) 16.607 0.618 ( 3.347 -5.788 1.311) 6.814 0.693 ( 3.807 -6.994 3.261) 8.605 0.756 ( 1.610 1.688 0.353) 2.359 0.796 ( 0.266 -3.822 0.200) 3.836 0.914 ( 1.605 2.267 1.677) 3.245 0.929 ( -0.721 -1.642 0.272) 1.813 0.974 ( -0.482 -2.437 -1.044) 2.695 1.019 ( 2.562 -3.890 0.525) 4.688 1.039 ( -0.680 -2.012 -2.645) 3.392 1.125 ( -0.154 0.130 -0.143) 0.247 1.147 ( -0.181 0.517 -2.211) 2.278 1.184 ( 1.058 -0.481 -0.015) 1.163 1.253 ( -2.087 0.675 -2.444) 3.284 1.290 ( -2.663 0.224 -4.042) 4.845 1.341 ( 1.068 -1.998 -2.400) 3.301 1.402 ( 0.264 1.546 0.471) 1.637 1.435 ( -3.318 2.517 0.845) 4.250 1.497 ( -0.661 -0.150 0.979) 1.191 1.518 ( -3.309 0.301 0.822) 3.423 1.566 ( -3.161 1.645 2.170) 4.172 1.607 ( -0.562 -0.480 0.252) 0.781 1.649 ( -2.392 0.057 -0.593) 2.465 1.691 ( -1.704 -1.310 -0.479) 2.202 1.718 ( 0.770 0.890 3.112) 3.327 1.735 ( 1.669 -0.044 0.578) 1.767 1.777 ( 1.605 -0.022 -0.889) 1.835 1.817 ( -2.758 -0.195 0.037) 2.765 1.840 ( -0.618 1.277 -3.143) 3.448 1.904 ( -1.212 -0.034 -1.194) 1.701 1.944 ( -2.296 1.504 1.509) 3.132 1.951 ( 0.637 0.901 -2.491) 2.724 1.996 ( -0.508 2.323 -1.064) 2.605 2.004 ( 0.460 0.238 -0.608) 0.799 2.033 ( 1.259 2.183 -1.433) 2.899 2.065 ( 0.579 -0.354 0.440) 0.809 2.092 ( 0.800 -2.009 -2.065) 2.990 2.134 ( 1.998 -1.473 -0.380) 2.511 2.197 ( 1.586 -1.824 -1.458) 2.823 2.259 ( -0.682 -4.965 1.099) 5.130 2.295 ( -0.057 2.366 -0.183) 2.374 2.360 ( -3.186 0.630 -1.877) 3.751 2.395 ( -0.807 1.574 -0.396) 1.813 2.430 ( 0.411 -2.773 1.335) 3.105 2.480 ( -0.235 3.918 0.902) 4.028 2.528 ( -1.514 0.279 -1.134) 1.912 2.549 ( -1.460 0.388 -0.115) 1.515 2.579 ( -1.196 -1.503 0.275) 1.940 2.604 ( -1.308 3.952 -1.993) 4.615 2.705 ( 1.231 -0.747 -3.596) 3.874 2.751 ( 1.587 2.309 -2.035) 3.462 2.808 ( 1.463 1.009 -3.298) 3.746 2.863 ( -0.830 1.621 -0.234) 1.836 2.913 ( -2.494 -0.694 3.606) 4.439 2.970 ( 1.108 1.813 -0.036) 2.125 3.004 ( 0.191 -0.243 5.153) 5.163 3.442 ( -1.000 0.953 -1.683) 2.178 3.450 ( 0.063 0.574 -0.473) 0.746 3.487 ( -0.741 -1.264 -1.433) 2.049 3.508 ( 0.454 -1.403 -1.713) 2.260 3.563 ( -0.007 1.146 -0.594) 1.291 3.597 ( 1.079 -0.975 -1.164) 1.862 3.648 ( -0.313 0.401 1.696) 1.770 3.685 ( -1.122 0.100 0.614) 1.283 3.762 ( 1.836 -0.207 -2.492) 3.102 3.795 ( 0.402 -0.865 0.987) 1.373 3.873 ( 0.733 0.060 3.449) 3.527 3.886 ( 1.693 -0.203 3.618) 4.000 3.946 ( -0.079 -1.583 6.175) 6.375 3.968 ( 2.919 -1.137 0.382) 3.156 4.246 ( -0.676 1.152 -1.379) 1.920 4.356 ( 2.081 -6.613 3.251) 7.657 5.484 ( 1.286 0.692 1.087) 1.821 5.509 ( 0.025 -0.156 -0.742) 0.758 5.577 ( 0.065 2.492 0.058) 2.494 5.604 ( 0.718 0.607 0.914) 1.311 5.644 ( -1.428 -0.794 0.321) 1.665 5.684 ( 0.643 -2.217 -0.535) 2.369 5.756 ( 1.274 0.277 0.282) 1.334 5.767 ( -4.115 5.258 -4.481) 8.041 5.777 ( -1.377 0.611 -1.377) 2.041 5.829 ( -1.786 0.252 -0.743) 1.951 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 7.775 3.149 4.282) 9.418 0.568 ( 8.334 2.459 1.571) 8.830 0.682 ( 3.631 -3.550 -1.193) 5.216 0.746 ( -0.114 -3.463 3.911) 5.225 0.762 ( 2.032 -0.320 1.461) 2.523 0.801 ( -0.474 -0.743 3.448) 3.559 0.877 ( 2.202 -3.898 2.627) 5.191 0.909 ( -0.772 -3.998 -0.704) 4.132 0.946 ( -0.165 -0.863 3.022) 3.147 0.973 ( 1.763 -0.500 1.062) 2.118 1.017 ( 1.702 -0.593 -0.803) 1.973 1.081 ( 3.178 -0.898 -3.016) 4.472 1.121 ( -2.623 -1.560 -2.513) 3.953 1.142 ( 2.513 2.006 0.280) 3.227 1.173 ( 0.046 2.051 -1.125) 2.340 1.222 ( 1.542 -0.691 -0.306) 1.717 1.242 ( 0.907 3.533 1.308) 3.875 1.353 ( -0.043 -0.729 0.026) 0.731 1.379 ( -1.901 1.584 0.217) 2.484 1.407 ( -0.205 0.943 0.002) 0.965 1.473 ( -3.866 -0.942 0.275) 3.989 1.485 ( -0.260 1.756 -0.703) 1.909 1.512 ( -3.549 0.883 3.402) 4.995 1.555 ( -3.667 1.384 -1.427) 4.171 1.590 ( -3.975 -1.383 1.861) 4.602 1.673 ( -0.112 -3.552 -1.420) 3.828 1.726 ( 0.139 1.901 -2.540) 3.176 1.761 ( 0.246 1.117 1.215) 1.669 1.780 ( 0.036 1.088 0.443) 1.176 1.828 ( -0.789 1.661 -0.123) 1.843 1.835 ( 1.168 -0.253 -3.025) 3.252 1.872 ( 0.336 1.448 1.060) 1.825 1.911 ( -1.380 4.751 -2.185) 5.408 1.944 ( 1.079 -0.500 0.480) 1.282 1.958 ( -0.953 2.020 -1.947) 2.964 2.002 ( -0.307 -1.152 -0.247) 1.217 2.040 ( 1.161 0.514 -2.432) 2.744 2.053 ( -1.279 0.024 0.159) 1.289 2.113 ( 2.643 -3.521 -0.534) 4.435 2.187 ( 3.402 -1.472 0.170) 3.710 2.215 ( 1.339 -0.400 -1.244) 1.871 2.233 ( -1.575 -4.241 -0.929) 4.618 2.286 ( -1.653 -0.788 0.735) 1.973 2.309 ( -0.821 0.375 -0.590) 1.078 2.384 ( -1.097 0.720 0.375) 1.365 2.451 ( 0.500 -3.143 1.560) 3.544 2.480 ( -1.642 0.361 -1.478) 2.238 2.495 ( -0.164 0.203 0.086) 0.275 2.521 ( -1.354 -0.561 -0.521) 1.555 2.560 ( -0.764 -0.777 0.004) 1.089 2.588 ( 0.059 4.622 -0.396) 4.639 2.707 ( 1.168 -1.133 -1.194) 2.018 2.764 ( 1.804 3.133 -2.040) 4.151 2.801 ( -1.205 2.634 0.596) 2.957 2.850 ( 0.053 1.429 -1.225) 1.883 2.896 ( -2.111 -0.878 2.455) 3.355 2.993 ( 2.054 1.412 -0.990) 2.682 3.037 ( -1.495 -0.255 4.303) 4.562 3.414 ( -0.418 0.388 -1.456) 1.564 3.447 ( -0.253 -0.803 -0.917) 1.245 3.469 ( 0.455 -0.379 -0.838) 1.026 3.510 ( 0.634 -1.103 -0.733) 1.468 3.562 ( 0.729 0.030 -0.656) 0.981 3.591 ( -0.379 -1.350 -1.222) 1.860 3.656 ( -0.261 1.062 1.899) 2.192 3.679 ( -0.190 1.302 1.183) 1.770 3.765 ( 0.667 0.561 -2.095) 2.269 3.816 ( 0.610 -1.125 0.952) 1.595 3.888 ( -0.059 0.708 0.509) 0.874 3.922 ( -0.209 -1.120 1.856) 2.178 3.987 ( 0.337 1.345 2.893) 3.208 4.050 ( 3.490 -1.477 2.559) 4.573 4.217 ( -0.767 1.961 -1.955) 2.874 4.386 ( -0.310 -6.377 1.409) 6.539 5.490 ( -0.797 3.154 -1.023) 3.410 5.519 ( 0.960 0.636 1.502) 1.893 5.581 ( 0.952 0.847 -0.608) 1.412 5.626 ( -0.696 -0.377 0.500) 0.936 5.641 ( 1.323 -0.145 1.694) 2.154 5.686 ( -0.343 -0.829 -0.264) 0.935 5.695 ( -0.259 1.927 -2.047) 2.824 5.741 ( -1.842 0.320 -1.442) 2.361 5.787 ( 1.055 -0.656 0.492) 1.336 5.798 ( -0.907 -0.966 -0.460) 1.402 ======================= Grid point 10 (8/60) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 0.000 3.263 0.000) 3.263 0.668 ( 0.000 -3.667 0.000) 3.667 0.691 ( 0.000 -3.072 0.000) 3.072 0.730 ( 0.000 -3.194 0.000) 3.194 0.790 ( 0.000 0.605 0.000) 0.605 0.818 ( 0.000 -2.589 0.000) 2.589 0.875 ( 0.000 -1.095 0.000) 1.095 0.929 ( 0.000 1.600 0.000) 1.600 0.971 ( 0.000 -0.389 -0.000) 0.389 0.988 ( 0.000 0.649 0.000) 0.649 1.017 ( 0.000 -6.262 0.000) 6.262 1.050 ( 0.000 -2.075 0.000) 2.075 1.118 ( 0.000 2.423 0.000) 2.423 1.138 ( 0.000 0.341 0.000) 0.341 1.196 ( 0.000 -0.320 0.000) 0.320 1.265 ( 0.000 0.295 0.000) 0.295 1.319 ( -0.000 0.403 -0.000) 0.403 1.325 ( 0.000 4.018 0.000) 4.018 1.364 ( 0.000 -0.682 0.000) 0.682 1.381 ( 0.000 -0.379 0.000) 0.379 1.428 ( 0.000 0.807 0.000) 0.807 1.491 ( 0.000 0.084 -0.000) 0.084 1.498 ( -0.000 1.920 0.000) 1.920 1.519 ( 0.000 -0.208 0.000) 0.208 1.566 ( 0.000 2.882 0.000) 2.882 1.653 ( 0.000 -1.616 0.000) 1.616 1.714 ( 0.000 -0.702 0.000) 0.702 1.760 ( 0.000 0.729 0.000) 0.729 1.783 ( 0.000 3.612 0.000) 3.612 1.792 ( 0.000 -0.898 -0.000) 0.898 1.819 ( 0.000 2.200 0.000) 2.200 1.892 ( 0.000 5.149 0.000) 5.149 1.906 ( 0.000 -1.122 0.000) 1.122 1.942 ( 0.000 0.958 0.000) 0.958 1.975 ( 0.000 -0.060 0.000) 0.060 1.989 ( -0.000 0.956 0.000) 0.956 2.024 ( 0.000 -2.279 0.000) 2.279 2.052 ( 0.000 2.941 -0.000) 2.941 2.152 ( 0.000 -2.652 0.000) 2.652 2.196 ( 0.000 -5.810 0.000) 5.810 2.218 ( 0.000 0.545 -0.000) 0.545 2.227 ( -0.000 -3.575 0.000) 3.575 2.285 ( 0.000 -1.946 0.000) 1.946 2.297 ( 0.000 -1.644 0.000) 1.644 2.372 ( 0.000 1.794 0.000) 1.794 2.447 ( 0.000 0.587 0.000) 0.587 2.474 ( -0.000 -3.287 0.000) 3.287 2.478 ( 0.000 -0.276 0.000) 0.276 2.508 ( 0.000 -0.169 0.000) 0.169 2.555 ( 0.000 -1.578 0.000) 1.578 2.589 ( 0.000 5.138 0.000) 5.138 2.714 ( 0.000 -1.300 0.000) 1.300 2.777 ( -0.000 4.000 0.000) 4.000 2.785 ( 0.000 3.580 -0.000) 3.580 2.843 ( 0.000 0.941 0.000) 0.941 2.888 ( 0.000 -0.750 0.000) 0.750 3.015 ( 0.000 0.496 0.000) 0.496 3.033 ( 0.000 0.080 -0.000) 0.080 3.404 ( 0.000 0.135 0.000) 0.135 3.436 ( 0.000 -1.583 0.000) 1.583 3.475 ( 0.000 0.182 0.000) 0.182 3.511 ( 0.000 -0.396 0.000) 0.396 3.569 ( 0.000 -1.457 0.000) 1.457 3.580 ( 0.000 -0.750 0.000) 0.750 3.672 ( -0.000 0.530 -0.000) 0.530 3.679 ( 0.000 1.048 0.000) 1.048 3.758 ( 0.000 1.879 0.000) 1.879 3.825 ( 0.000 -1.070 0.000) 1.070 3.891 ( 0.000 0.671 0.000) 0.671 3.926 ( 0.000 -1.398 0.000) 1.398 4.002 ( 0.000 2.577 0.000) 2.577 4.097 ( 0.000 -1.872 0.000) 1.872 4.199 ( 0.000 2.478 0.000) 2.478 4.387 ( 0.000 -5.983 0.000) 5.983 5.477 ( 0.000 4.278 0.000) 4.278 5.535 ( 0.000 0.677 0.000) 0.677 5.591 ( 0.000 0.010 0.000) 0.010 5.620 ( 0.000 -0.541 0.000) 0.541 5.670 ( 0.000 0.922 0.000) 0.922 5.676 ( 0.000 -0.132 0.000) 0.132 5.698 ( -0.000 -0.685 -0.000) 0.685 5.703 ( 0.000 -0.362 0.000) 0.362 5.787 ( 0.000 -0.585 0.000) 0.585 5.800 ( 0.000 -0.947 0.000) 0.947 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( 0.000 -11.079 0.000) 11.079 0.404 ( 0.000 11.079 0.000) 11.079 0.447 ( 0.000 -10.907 0.000) 10.907 0.447 ( 0.000 10.907 0.000) 10.907 0.687 ( 0.000 -5.996 0.000) 5.996 0.687 ( 0.000 5.996 0.000) 5.996 0.850 ( 0.000 -12.018 0.000) 12.018 0.850 ( 0.000 12.018 0.000) 12.018 0.933 ( 0.000 -0.787 0.000) 0.787 0.933 ( 0.000 0.787 0.000) 0.787 0.982 ( 0.000 -4.007 0.000) 4.007 0.982 ( 0.000 4.007 0.000) 4.007 1.129 ( 0.000 -0.295 0.000) 0.295 1.129 ( 0.000 0.295 0.000) 0.295 1.227 ( 0.000 -3.153 0.000) 3.153 1.227 ( 0.000 3.153 0.000) 3.153 1.362 ( 0.000 -0.727 0.000) 0.727 1.362 ( 0.000 0.727 0.000) 0.727 1.408 ( 0.000 -0.475 0.000) 0.475 1.408 ( 0.000 0.475 0.000) 0.475 1.539 ( 0.000 -2.741 0.000) 2.741 1.539 ( 0.000 2.741 0.000) 2.741 1.610 ( 0.000 -0.839 0.000) 0.839 1.610 ( 0.000 0.839 0.000) 0.839 1.676 ( 0.000 -0.897 0.000) 0.897 1.676 ( 0.000 0.897 0.000) 0.897 1.734 ( 0.000 -1.373 0.000) 1.373 1.734 ( 0.000 1.373 0.000) 1.373 1.821 ( 0.000 -5.794 0.000) 5.794 1.821 ( 0.000 5.794 0.000) 5.794 1.880 ( 0.000 -1.883 0.000) 1.883 1.880 ( 0.000 1.883 0.000) 1.883 1.955 ( 0.000 -1.759 0.000) 1.759 1.955 ( 0.000 1.759 0.000) 1.759 2.014 ( 0.000 -0.755 0.000) 0.755 2.014 ( 0.000 0.755 0.000) 0.755 2.049 ( 0.000 -2.291 0.000) 2.291 2.049 ( 0.000 2.291 0.000) 2.291 2.124 ( 0.000 -1.724 0.000) 1.724 2.124 ( 0.000 1.724 0.000) 1.724 2.158 ( 0.000 -0.346 0.000) 0.346 2.158 ( 0.000 0.346 0.000) 0.346 2.361 ( 0.000 -3.211 0.000) 3.211 2.361 ( 0.000 3.211 0.000) 3.211 2.404 ( 0.000 -2.009 0.000) 2.009 2.404 ( 0.000 2.009 0.000) 2.009 2.538 ( 0.000 -2.417 0.000) 2.417 2.538 ( 0.000 2.417 0.000) 2.417 2.573 ( 0.000 -0.588 0.000) 0.588 2.573 ( 0.000 0.588 0.000) 0.588 2.692 ( 0.000 -1.976 0.000) 1.976 2.692 ( 0.000 1.976 0.000) 1.976 2.807 ( 0.000 -2.491 0.000) 2.491 2.807 ( 0.000 2.491 0.000) 2.491 2.900 ( 0.000 -1.294 0.000) 1.294 2.900 ( 0.000 1.294 0.000) 1.294 2.960 ( 0.000 -1.080 0.000) 1.080 2.960 ( 0.000 1.080 0.000) 1.080 3.466 ( 0.000 -0.583 0.000) 0.583 3.466 ( 0.000 0.583 0.000) 0.583 3.498 ( 0.000 -0.117 0.000) 0.117 3.498 ( 0.000 0.117 0.000) 0.117 3.585 ( 0.000 -0.083 0.000) 0.083 3.585 ( 0.000 0.083 0.000) 0.083 3.648 ( 0.000 -0.477 0.000) 0.477 3.648 ( 0.000 0.477 0.000) 0.477 3.767 ( 0.000 -0.073 0.000) 0.073 3.767 ( 0.000 0.073 0.000) 0.073 3.839 ( 0.000 -0.780 0.000) 0.780 3.839 ( 0.000 0.780 0.000) 0.780 3.923 ( 0.000 -1.409 0.000) 1.409 3.923 ( 0.000 1.409 0.000) 1.409 4.274 ( 0.000 -0.797 0.000) 0.797 4.274 ( 0.000 0.797 0.000) 0.797 5.486 ( 0.000 -1.198 0.000) 1.198 5.486 ( 0.000 1.198 0.000) 1.198 5.613 ( 0.000 -1.970 0.000) 1.970 5.613 ( 0.000 1.970 0.000) 1.970 5.640 ( 0.000 -0.867 0.000) 0.867 5.640 ( 0.000 0.867 0.000) 0.867 5.760 ( 0.000 -1.419 0.000) 1.419 5.760 ( 0.000 1.419 0.000) 1.419 5.884 ( 0.000 -1.744 0.000) 1.744 5.884 ( 0.000 1.744 0.000) 1.744 ======================= Grid point 16 (10/60) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 7.527 -8.095 -0.272) 11.057 0.461 ( 7.527 8.095 -0.272) 11.057 0.549 ( 4.665 -7.017 5.175) 9.888 0.549 ( 4.665 7.017 5.175) 9.888 0.711 ( 0.600 -4.499 5.147) 6.862 0.711 ( 0.600 4.499 5.147) 6.862 0.862 ( 1.616 -7.741 -0.377) 7.917 0.862 ( 1.616 7.741 -0.377) 7.917 0.944 ( -0.505 -0.340 0.929) 1.111 0.944 ( -0.505 0.340 0.929) 1.111 0.983 ( 0.488 -3.032 0.672) 3.144 0.983 ( 0.488 3.032 0.672) 3.144 1.135 ( 1.815 -1.060 -1.169) 2.404 1.135 ( 1.815 1.060 -1.169) 2.404 1.223 ( -0.416 -3.259 -2.292) 4.006 1.223 ( -0.416 3.259 -2.292) 4.006 1.307 ( -0.624 -1.726 -2.536) 3.130 1.307 ( -0.624 1.726 -2.536) 3.130 1.441 ( 0.061 -2.181 0.545) 2.249 1.441 ( 0.061 2.181 0.545) 2.249 1.510 ( -3.296 -2.932 0.152) 4.415 1.510 ( -3.296 2.932 0.152) 4.415 1.592 ( -2.211 -1.486 2.671) 3.772 1.592 ( -2.211 1.486 2.671) 3.772 1.662 ( -2.515 -1.878 -1.754) 3.596 1.662 ( -2.515 1.878 -1.754) 3.596 1.729 ( 0.891 -0.555 1.966) 2.229 1.729 ( 0.891 0.555 1.966) 2.229 1.811 ( -0.720 -2.086 -0.895) 2.381 1.811 ( -0.720 2.086 -0.895) 2.381 1.873 ( 0.368 -2.417 -1.581) 2.912 1.873 ( 0.368 2.417 -1.581) 2.912 1.958 ( -0.229 -0.442 0.901) 1.030 1.958 ( -0.229 0.442 0.901) 1.030 2.018 ( 0.338 -0.402 -1.492) 1.582 2.018 ( 0.338 0.402 -1.492) 1.582 2.036 ( 0.297 -0.854 -2.932) 3.069 2.036 ( 0.297 0.854 -2.932) 3.069 2.137 ( 1.099 -4.158 -0.263) 4.309 2.137 ( 1.099 4.158 -0.263) 4.309 2.167 ( 0.307 -4.134 1.092) 4.287 2.167 ( 0.307 4.134 1.092) 4.287 2.334 ( -2.056 -2.114 -0.588) 3.007 2.334 ( -2.056 2.114 -0.588) 3.007 2.409 ( -0.111 -0.741 0.487) 0.894 2.409 ( -0.111 0.741 0.487) 0.894 2.537 ( -0.589 -2.310 -0.038) 2.384 2.537 ( -0.589 2.310 -0.038) 2.384 2.543 ( -2.366 -1.238 -0.478) 2.713 2.543 ( -2.366 1.238 -0.478) 2.713 2.673 ( 0.524 -2.825 -3.406) 4.457 2.673 ( 0.524 2.825 -3.406) 4.457 2.796 ( 1.668 -2.039 -2.899) 3.917 2.796 ( 1.668 2.039 -2.899) 3.917 2.894 ( -1.682 -1.491 1.968) 2.987 2.894 ( -1.682 1.491 1.968) 2.987 2.995 ( 0.688 -0.846 3.381) 3.552 2.995 ( 0.688 0.846 3.381) 3.552 3.456 ( -0.737 -0.443 -1.039) 1.348 3.456 ( -0.737 0.443 -1.039) 1.348 3.481 ( -0.069 -1.107 -1.751) 2.073 3.481 ( -0.069 1.107 -1.751) 2.073 3.582 ( 0.280 -0.878 -1.382) 1.661 3.582 ( 0.280 0.878 -1.382) 1.661 3.665 ( -0.148 -1.432 2.511) 2.894 3.665 ( -0.148 1.432 2.511) 2.894 3.774 ( 0.649 -1.152 -0.263) 1.348 3.774 ( 0.649 1.152 -0.263) 1.348 3.879 ( 1.327 -0.500 3.740) 4.000 3.879 ( 1.327 0.500 3.740) 4.000 3.946 ( 2.297 -1.034 1.247) 2.811 3.946 ( 2.297 1.034 1.247) 2.811 4.279 ( 0.436 -2.586 -0.282) 2.638 4.279 ( 0.436 2.586 -0.282) 2.638 5.498 ( 1.066 -0.765 0.351) 1.358 5.498 ( 1.066 0.765 0.351) 1.358 5.620 ( 0.076 -0.832 1.116) 1.394 5.620 ( 0.076 0.832 1.116) 1.394 5.635 ( -0.101 -2.369 -0.559) 2.436 5.635 ( -0.101 2.369 -0.559) 2.436 5.765 ( 0.418 -0.713 -0.095) 0.832 5.765 ( 0.418 0.713 -0.095) 0.832 5.826 ( -3.956 -0.991 -2.311) 4.688 5.826 ( -3.956 0.991 -2.311) 4.688 ======================= Grid point 18 (11/60) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 4.920 -3.685 0.125) 6.148 0.584 ( 4.920 3.685 0.125) 6.148 0.662 ( 3.612 -4.388 2.295) 6.130 0.662 ( 3.612 4.388 2.295) 6.130 0.787 ( 2.909 -2.413 5.487) 6.663 0.787 ( 2.909 2.413 5.487) 6.663 0.849 ( -1.390 -1.998 -1.814) 3.035 0.849 ( -1.390 1.998 -1.814) 3.035 0.957 ( -0.394 -1.410 3.329) 3.636 0.957 ( -0.394 1.410 3.329) 3.636 1.020 ( 1.673 -1.998 -0.881) 2.751 1.020 ( 1.673 1.998 -0.881) 2.751 1.154 ( 2.525 -2.211 -2.104) 3.961 1.154 ( 2.525 2.211 -2.104) 3.961 1.186 ( -0.583 -1.530 -1.625) 2.306 1.186 ( -0.583 1.530 -1.625) 2.306 1.319 ( 1.713 -3.282 1.224) 3.900 1.319 ( 1.713 3.282 1.224) 3.900 1.423 ( -1.895 -2.591 -0.300) 3.224 1.423 ( -1.895 2.591 -0.300) 3.224 1.467 ( -1.652 -2.872 0.924) 3.440 1.467 ( -1.652 2.872 0.924) 3.440 1.545 ( -4.790 -2.394 1.971) 5.707 1.545 ( -4.790 2.394 1.971) 5.707 1.607 ( -0.695 -3.262 -0.536) 3.378 1.607 ( -0.695 3.262 -0.536) 3.378 1.779 ( 1.254 -1.066 -1.626) 2.313 1.779 ( 1.254 1.066 -1.626) 2.313 1.801 ( 0.173 -2.134 -1.514) 2.622 1.801 ( 0.173 2.134 -1.514) 2.622 1.860 ( 0.039 -1.890 1.110) 2.193 1.860 ( 0.039 1.890 1.110) 2.193 1.952 ( -1.085 -0.729 0.568) 1.425 1.952 ( -1.085 0.729 0.568) 1.425 2.005 ( 1.126 -2.506 -4.381) 5.171 2.005 ( 1.126 2.506 -4.381) 5.171 2.030 ( 1.049 -4.159 0.353) 4.304 2.030 ( 1.049 4.159 0.353) 4.304 2.126 ( -1.933 -5.510 0.587) 5.869 2.126 ( -1.933 5.510 0.587) 5.869 2.190 ( 1.643 -1.877 -0.749) 2.604 2.190 ( 1.643 1.877 -0.749) 2.604 2.296 ( -1.595 -1.233 -0.824) 2.178 2.296 ( -1.595 1.233 -0.824) 2.178 2.408 ( -0.465 -1.595 1.242) 2.074 2.408 ( -0.465 1.595 1.242) 2.074 2.493 ( -1.364 -0.946 -1.776) 2.431 2.493 ( -1.364 0.946 -1.776) 2.431 2.531 ( -0.751 -1.846 0.068) 1.994 2.531 ( -0.751 1.846 0.068) 1.994 2.668 ( 0.803 -3.338 -1.108) 3.608 2.668 ( 0.803 3.338 -1.108) 3.608 2.812 ( 1.743 -1.460 -1.562) 2.758 2.812 ( 1.743 1.460 -1.562) 2.758 2.878 ( -1.868 -1.240 1.920) 2.952 2.878 ( -1.868 1.240 1.920) 2.952 3.022 ( -0.149 -1.428 1.787) 2.293 3.022 ( -0.149 1.428 1.787) 2.293 3.427 ( -0.816 -0.989 -1.477) 1.955 3.427 ( -0.816 0.989 -1.477) 1.955 3.482 ( 1.158 -1.500 -0.982) 2.134 3.482 ( 1.158 1.500 -0.982) 2.134 3.571 ( -0.280 -0.889 -0.833) 1.251 3.571 ( -0.280 0.889 -0.833) 1.251 3.677 ( -0.384 -1.078 1.776) 2.113 3.677 ( -0.384 1.078 1.776) 2.113 3.789 ( 0.918 -1.702 -0.053) 1.935 3.789 ( 0.918 1.702 -0.053) 1.935 3.904 ( -0.187 -0.908 1.016) 1.375 3.904 ( -0.187 0.908 1.016) 1.375 4.017 ( 2.527 -1.894 2.602) 4.092 4.017 ( 2.527 1.894 2.602) 4.092 4.278 ( -0.066 -4.765 -0.589) 4.801 4.278 ( -0.066 4.765 -0.589) 4.801 5.523 ( 1.131 -0.619 0.592) 1.419 5.523 ( 1.131 0.619 0.592) 1.419 5.612 ( -0.783 -1.545 -0.692) 1.865 5.612 ( -0.783 1.545 -0.692) 1.865 5.650 ( 0.880 -1.590 1.572) 2.403 5.650 ( 0.880 1.590 1.572) 2.403 5.736 ( -2.388 -1.299 -2.322) 3.575 5.736 ( -2.388 1.299 -2.322) 3.575 5.781 ( 0.139 -0.347 0.154) 0.404 5.781 ( 0.139 0.347 0.154) 0.404 ======================= Grid point 20 (12/60) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( 0.000 -1.059 0.000) 1.059 0.635 ( 0.000 1.059 -0.000) 1.059 0.688 ( 0.000 -1.733 0.000) 1.733 0.688 ( 0.000 1.733 0.000) 1.733 0.801 ( 0.000 -0.243 0.000) 0.243 0.801 ( 0.000 0.243 0.000) 0.243 0.907 ( 0.000 -4.929 0.000) 4.929 0.907 ( -0.000 4.929 0.000) 4.929 0.962 ( 0.000 -1.335 0.000) 1.335 0.962 ( 0.000 1.335 0.000) 1.335 0.995 ( 0.000 -1.435 0.000) 1.435 0.995 ( 0.000 1.435 0.000) 1.435 1.145 ( 0.000 -0.005 0.000) 0.005 1.145 ( 0.000 0.005 0.000) 0.005 1.223 ( 0.000 -2.702 0.000) 2.702 1.223 ( 0.000 2.702 0.000) 2.702 1.339 ( -0.000 -1.025 0.000) 1.025 1.339 ( 0.000 1.025 0.000) 1.025 1.387 ( 0.000 -1.085 0.000) 1.085 1.387 ( 0.000 1.085 0.000) 1.085 1.460 ( 0.000 -2.418 0.000) 2.418 1.460 ( 0.000 2.418 0.000) 2.418 1.518 ( -0.000 -0.172 0.000) 0.172 1.518 ( 0.000 0.172 0.000) 0.172 1.612 ( 0.000 -2.372 0.000) 2.372 1.612 ( 0.000 2.372 0.000) 2.372 1.744 ( 0.000 -2.955 0.000) 2.955 1.744 ( 0.000 2.955 0.000) 2.955 1.798 ( 0.000 -1.574 0.000) 1.574 1.798 ( 0.000 1.574 0.000) 1.574 1.870 ( 0.000 -2.321 0.000) 2.321 1.870 ( 0.000 2.321 0.000) 2.321 1.967 ( 0.000 -1.450 0.000) 1.450 1.967 ( 0.000 1.450 0.000) 1.450 1.988 ( 0.000 -1.104 0.000) 1.104 1.988 ( 0.000 1.104 0.000) 1.104 2.044 ( 0.000 -7.316 0.000) 7.316 2.044 ( 0.000 7.316 0.000) 7.316 2.107 ( 0.000 -1.379 0.000) 1.379 2.107 ( 0.000 1.379 0.000) 1.379 2.208 ( 0.000 -1.354 0.000) 1.354 2.208 ( 0.000 1.354 0.000) 1.354 2.267 ( 0.000 -0.921 0.000) 0.921 2.267 ( 0.000 0.921 0.000) 0.921 2.415 ( 0.000 -2.568 0.000) 2.568 2.415 ( 0.000 2.568 0.000) 2.568 2.469 ( 0.000 -0.898 0.000) 0.898 2.469 ( 0.000 0.898 0.000) 0.898 2.522 ( 0.000 -1.642 0.000) 1.642 2.522 ( 0.000 1.642 0.000) 1.642 2.671 ( 0.000 -3.502 0.000) 3.502 2.671 ( 0.000 3.502 0.000) 3.502 2.821 ( 0.000 -0.184 0.000) 0.184 2.821 ( 0.000 0.184 0.000) 0.184 2.869 ( 0.000 -1.441 0.000) 1.441 2.869 ( 0.000 1.441 0.000) 1.441 3.027 ( 0.000 -0.713 0.000) 0.713 3.027 ( 0.000 0.713 0.000) 0.713 3.412 ( 0.000 -0.847 0.000) 0.847 3.412 ( 0.000 0.847 0.000) 0.847 3.490 ( 0.000 -1.388 0.000) 1.388 3.490 ( 0.000 1.388 0.000) 1.388 3.564 ( 0.000 -0.693 0.000) 0.693 3.564 ( 0.000 0.693 0.000) 0.693 3.683 ( 0.000 -0.396 0.000) 0.396 3.683 ( 0.000 0.396 0.000) 0.396 3.797 ( 0.000 -1.985 0.000) 1.985 3.797 ( 0.000 1.985 0.000) 1.985 3.905 ( 0.000 -0.926 0.000) 0.926 3.905 ( 0.000 0.926 0.000) 0.926 4.052 ( 0.000 -2.752 0.000) 2.752 4.052 ( 0.000 2.752 0.000) 2.752 4.273 ( 0.000 -5.597 0.000) 5.597 4.273 ( 0.000 5.597 0.000) 5.597 5.539 ( 0.000 -1.196 0.000) 1.196 5.539 ( 0.000 1.196 0.000) 1.196 5.598 ( 0.000 -1.280 0.000) 1.280 5.598 ( 0.000 1.280 0.000) 1.280 5.679 ( 0.000 -0.490 -0.000) 0.490 5.679 ( -0.000 0.490 -0.000) 0.490 5.692 ( 0.000 -0.724 0.000) 0.724 5.692 ( 0.000 0.724 0.000) 0.724 5.785 ( 0.000 -0.506 0.000) 0.506 5.785 ( 0.000 0.506 0.000) 0.506 ======================= Grid point 35 (13/60) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.262 ( 1.235 0.000 12.885) 12.944 0.278 ( -4.292 0.000 13.581) 14.243 0.519 ( 7.697 0.000 24.307) 25.497 0.670 ( -0.343 0.000 -2.191) 2.218 0.786 ( 0.575 0.000 10.210) 10.226 0.801 ( 1.909 0.000 0.631) 2.011 0.802 ( -0.084 0.000 -0.155) 0.176 0.850 ( -2.524 0.000 -1.243) 2.814 0.945 ( 2.698 0.000 0.488) 2.742 0.971 ( 0.787 0.000 -3.741) 3.823 1.020 ( 0.897 0.000 -0.930) 1.292 1.057 ( -6.579 0.000 -0.990) 6.653 1.126 ( 0.035 0.000 -1.472) 1.473 1.159 ( 1.115 0.000 -2.430) 2.673 1.180 ( -3.160 0.000 2.757) 4.194 1.288 ( -2.074 0.000 -1.824) 2.762 1.309 ( -3.457 0.000 -0.051) 3.458 1.357 ( -3.412 0.000 -0.862) 3.519 1.385 ( -0.073 0.000 0.455) 0.461 1.427 ( 0.781 0.000 -0.916) 1.204 1.509 ( -0.769 0.000 0.490) 0.912 1.574 ( 0.839 0.000 0.658) 1.066 1.594 ( 2.247 0.000 -0.994) 2.457 1.618 ( 8.010 0.000 1.282) 8.112 1.626 ( -0.090 0.000 1.667) 1.669 1.656 ( -4.937 0.000 0.801) 5.002 1.719 ( -0.455 0.000 -3.824) 3.851 1.744 ( 1.357 0.000 -0.311) 1.392 1.771 ( -1.184 0.000 1.974) 2.302 1.803 ( 0.943 0.000 2.797) 2.951 1.880 ( 1.138 0.000 -5.959) 6.066 1.882 ( 0.481 0.000 0.390) 0.619 1.909 ( -3.215 0.000 -3.816) 4.990 1.918 ( -0.471 0.000 -1.428) 1.503 1.993 ( -1.598 0.000 -0.020) 1.598 2.009 ( -0.405 0.000 -0.429) 0.590 2.025 ( -1.209 0.000 -1.423) 1.867 2.044 ( 1.204 0.000 2.426) 2.708 2.088 ( -2.415 0.000 -1.592) 2.892 2.173 ( -2.364 0.000 2.178) 3.214 2.177 ( -2.479 0.000 -0.688) 2.573 2.237 ( 1.565 0.000 0.308) 1.595 2.278 ( 0.455 0.000 -1.900) 1.954 2.343 ( -1.372 0.000 -1.066) 1.738 2.393 ( -0.241 0.000 1.899) 1.914 2.423 ( 2.293 0.000 2.399) 3.319 2.458 ( 1.796 0.000 -0.240) 1.812 2.522 ( -0.508 0.000 -0.979) 1.103 2.549 ( 0.227 0.000 -3.349) 3.357 2.550 ( 1.292 0.000 -0.772) 1.505 2.613 ( -0.201 0.000 -0.073) 0.214 2.633 ( 1.434 0.000 -2.450) 2.838 2.692 ( -0.507 0.000 0.606) 0.790 2.748 ( 0.470 0.000 0.433) 0.639 2.890 ( 1.172 0.000 -1.690) 2.057 2.956 ( -5.385 0.000 1.670) 5.638 3.014 ( -2.046 0.000 3.359) 3.933 3.070 ( 0.853 0.000 5.392) 5.459 3.435 ( -1.463 0.000 -0.543) 1.561 3.460 ( -1.429 0.000 0.201) 1.443 3.481 ( 0.402 0.000 -3.281) 3.306 3.512 ( -0.736 0.000 0.610) 0.956 3.552 ( 0.156 0.000 -1.156) 1.166 3.577 ( 0.586 0.000 0.874) 1.052 3.668 ( -1.410 0.000 -2.514) 2.882 3.669 ( -0.280 0.000 1.666) 1.689 3.733 ( 1.086 0.000 1.302) 1.696 3.815 ( 0.748 0.000 2.954) 3.047 3.837 ( 4.954 0.000 1.388) 5.145 3.902 ( -0.447 0.000 0.977) 1.074 3.938 ( 1.110 0.000 -0.517) 1.225 4.098 ( 0.580 0.000 -2.986) 3.042 4.242 ( -1.359 0.000 -0.800) 1.577 4.374 ( 15.255 0.000 -2.316) 15.430 5.465 ( 1.264 0.000 0.715) 1.452 5.504 ( -2.202 0.000 -1.118) 2.470 5.553 ( 1.395 0.000 0.036) 1.395 5.607 ( 1.916 0.000 1.083) 2.201 5.661 ( 0.823 0.000 -1.265) 1.509 5.710 ( -1.263 0.000 0.645) 1.418 5.712 ( -13.833 0.000 -0.427) 13.839 5.743 ( 0.644 0.000 1.387) 1.530 5.784 ( -0.680 0.000 -0.749) 1.012 5.824 ( 0.226 0.000 -1.158) 1.180 ======================= Grid point 36 (14/60) ======================= q-point: ( 0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( 7.105 0.000 8.977) 11.449 0.440 ( 6.206 0.000 10.060) 11.820 0.662 ( 0.738 0.000 -1.587) 1.750 0.778 ( -0.301 0.000 -0.816) 0.870 0.816 ( 2.684 0.000 4.282) 5.054 0.853 ( 1.013 0.000 2.959) 3.127 0.887 ( 4.985 0.000 2.232) 5.462 0.916 ( 5.292 0.000 10.099) 11.402 0.959 ( 1.582 0.000 1.304) 2.050 0.987 ( -0.486 0.000 -0.620) 0.787 1.002 ( 2.674 0.000 0.234) 2.685 1.055 ( 1.405 0.000 4.005) 4.245 1.065 ( -4.291 0.000 -2.072) 4.765 1.166 ( -0.536 0.000 1.853) 1.929 1.177 ( 1.973 0.000 -0.898) 2.167 1.200 ( -6.170 0.000 -1.325) 6.311 1.254 ( -2.737 0.000 0.172) 2.742 1.342 ( 0.692 0.000 0.942) 1.169 1.379 ( 0.423 0.000 -1.790) 1.839 1.413 ( -0.377 0.000 -0.546) 0.663 1.490 ( -0.939 0.000 -0.955) 1.339 1.527 ( -5.918 0.000 -3.685) 6.971 1.597 ( -0.368 0.000 2.434) 2.462 1.600 ( -2.643 0.000 -0.213) 2.651 1.617 ( -2.521 0.000 1.968) 3.198 1.694 ( -0.202 0.000 -1.378) 1.393 1.739 ( 3.721 0.000 -0.933) 3.836 1.767 ( -0.039 0.000 -0.178) 0.183 1.782 ( -2.921 0.000 0.069) 2.922 1.786 ( 0.429 0.000 1.841) 1.891 1.812 ( -0.237 0.000 -3.978) 3.985 1.862 ( 0.746 0.000 -1.976) 2.112 1.869 ( 0.076 0.000 1.791) 1.793 1.916 ( -6.200 0.000 -0.301) 6.208 1.946 ( 1.469 0.000 -1.464) 2.074 1.997 ( 0.154 0.000 -2.241) 2.246 2.004 ( 0.587 0.000 -1.069) 1.219 2.074 ( 2.116 0.000 -2.519) 3.289 2.084 ( 1.300 0.000 1.264) 1.813 2.162 ( 1.446 0.000 0.128) 1.452 2.166 ( 0.300 0.000 0.777) 0.832 2.263 ( -0.000 0.000 -3.308) 3.308 2.293 ( 2.756 0.000 1.354) 3.070 2.306 ( -1.533 0.000 -0.571) 1.636 2.402 ( -0.456 0.000 1.109) 1.199 2.462 ( 1.528 0.000 -1.589) 2.205 2.496 ( 1.596 0.000 2.086) 2.626 2.497 ( -1.012 0.000 -1.488) 1.800 2.531 ( 0.169 0.000 -1.202) 1.214 2.542 ( -0.808 0.000 -0.990) 1.277 2.598 ( -1.260 0.000 -0.014) 1.260 2.660 ( 2.962 0.000 -2.802) 4.077 2.712 ( 0.851 0.000 2.240) 2.396 2.751 ( -0.124 0.000 -0.825) 0.835 2.880 ( -4.250 0.000 2.278) 4.822 2.900 ( 1.981 0.000 -2.388) 3.103 3.010 ( -3.394 0.000 4.787) 5.868 3.119 ( -0.905 0.000 4.558) 4.647 3.404 ( -0.199 0.000 -1.048) 1.067 3.452 ( -0.519 0.000 1.371) 1.466 3.486 ( 2.679 0.000 -1.609) 3.125 3.496 ( -1.496 0.000 0.285) 1.523 3.535 ( -0.566 0.000 -1.223) 1.348 3.602 ( 1.575 0.000 -0.264) 1.597 3.626 ( -1.198 0.000 -1.298) 1.766 3.679 ( -0.011 0.000 0.898) 0.898 3.746 ( 0.084 0.000 0.372) 0.381 3.846 ( -0.304 0.000 2.584) 2.602 3.878 ( 0.043 0.000 -1.533) 1.533 3.936 ( 1.855 0.000 1.799) 2.584 3.999 ( 4.753 0.000 1.408) 4.958 4.028 ( -3.019 0.000 -2.044) 3.646 4.207 ( -1.328 0.000 -0.983) 1.652 4.482 ( 2.248 0.000 -4.918) 5.407 5.456 ( -1.718 0.000 -1.204) 2.098 5.508 ( 1.666 0.000 1.823) 2.470 5.552 ( -1.027 0.000 0.337) 1.080 5.622 ( 1.114 0.000 1.678) 2.014 5.640 ( -0.583 0.000 -0.726) 0.931 5.653 ( 0.982 0.000 1.222) 1.567 5.706 ( -0.228 0.000 0.505) 0.554 5.754 ( -1.756 0.000 -1.304) 2.188 5.773 ( 1.462 0.000 0.766) 1.650 5.812 ( -0.459 0.000 -1.045) 1.141 ======================= Grid point 37 (15/60) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 2.995 0.000 5.468) 6.234 0.620 ( 8.362 0.000 3.827) 9.196 0.662 ( 2.115 0.000 -1.117) 2.392 0.810 ( -1.525 0.000 0.130) 1.530 0.812 ( 2.241 0.000 3.369) 4.046 0.869 ( -1.631 0.000 -4.592) 4.873 0.896 ( -0.706 0.000 -1.025) 1.245 0.924 ( -2.499 0.000 -2.254) 3.365 0.940 ( -1.209 0.000 -2.094) 2.418 1.029 ( -0.194 0.000 3.411) 3.417 1.058 ( -3.398 0.000 0.486) 3.432 1.095 ( 6.023 0.000 3.804) 7.124 1.122 ( -2.231 0.000 -1.499) 2.688 1.137 ( -0.679 0.000 3.131) 3.204 1.178 ( 4.942 0.000 5.768) 7.596 1.204 ( 1.463 0.000 0.421) 1.523 1.254 ( 0.718 0.000 1.084) 1.300 1.350 ( 0.957 0.000 -3.380) 3.513 1.356 ( -2.090 0.000 -0.841) 2.253 1.404 ( -1.570 0.000 -0.534) 1.659 1.436 ( -1.096 0.000 -0.483) 1.198 1.462 ( -1.026 0.000 -2.078) 2.318 1.503 ( -5.235 0.000 -0.564) 5.265 1.571 ( -4.509 0.000 0.677) 4.560 1.600 ( -2.610 0.000 3.844) 4.647 1.702 ( 1.006 0.000 0.747) 1.253 1.722 ( -0.219 0.000 -2.552) 2.562 1.737 ( -2.244 0.000 -3.381) 4.058 1.770 ( 0.085 0.000 -0.331) 0.342 1.774 ( -1.995 0.000 3.055) 3.649 1.820 ( 1.149 0.000 3.282) 3.477 1.840 ( 1.228 0.000 1.596) 2.014 1.921 ( 1.698 0.000 1.216) 2.088 1.925 ( -0.337 0.000 -3.182) 3.200 1.933 ( 2.915 0.000 3.196) 4.326 1.980 ( 0.355 0.000 -2.931) 2.953 2.002 ( -0.522 0.000 0.526) 0.741 2.095 ( -0.980 0.000 0.631) 1.165 2.122 ( 5.384 0.000 -2.074) 5.769 2.179 ( 0.487 0.000 -0.085) 0.494 2.214 ( 3.866 0.000 -0.031) 3.866 2.233 ( 0.274 0.000 -2.557) 2.571 2.285 ( -0.189 0.000 -1.240) 1.255 2.339 ( 0.278 0.000 2.346) 2.362 2.391 ( -0.883 0.000 -0.353) 0.950 2.456 ( -2.126 0.000 -2.214) 3.070 2.467 ( 1.014 0.000 -1.588) 1.884 2.517 ( -0.174 0.000 -0.326) 0.370 2.518 ( -0.890 0.000 0.007) 0.890 2.543 ( -0.135 0.000 2.012) 2.017 2.578 ( -0.338 0.000 -0.050) 0.342 2.677 ( 1.601 0.000 -2.381) 2.869 2.735 ( 0.120 0.000 -2.073) 2.077 2.744 ( 0.204 0.000 2.641) 2.649 2.845 ( -2.140 0.000 2.670) 3.422 2.919 ( 3.092 0.000 -3.674) 4.802 2.982 ( -3.681 0.000 4.087) 5.501 3.103 ( -3.478 0.000 1.213) 3.684 3.413 ( 0.521 0.000 1.346) 1.444 3.461 ( 0.201 0.000 1.246) 1.262 3.479 ( -0.706 0.000 1.011) 1.233 3.507 ( -0.190 0.000 -0.334) 0.384 3.547 ( 3.382 0.000 -1.126) 3.564 3.605 ( -0.712 0.000 0.261) 0.758 3.619 ( 1.224 0.000 -1.757) 2.141 3.677 ( -0.404 0.000 -0.883) 0.971 3.760 ( 0.315 0.000 2.916) 2.933 3.848 ( -0.941 0.000 0.716) 1.183 3.876 ( 0.534 0.000 -0.734) 0.908 3.953 ( -0.055 0.000 -0.140) 0.151 3.965 ( -1.939 0.000 -3.079) 3.639 4.062 ( 2.267 0.000 -3.020) 3.776 4.204 ( 0.309 0.000 2.788) 2.805 4.455 ( -0.633 0.000 -2.682) 2.755 5.431 ( -0.337 0.000 -0.113) 0.356 5.515 ( -0.256 0.000 -1.135) 1.164 5.587 ( 2.059 0.000 2.127) 2.960 5.617 ( -0.308 0.000 -1.774) 1.800 5.670 ( 1.983 0.000 1.489) 2.480 5.672 ( -0.733 0.000 1.215) 1.419 5.707 ( -1.653 0.000 -1.532) 2.254 5.710 ( 0.193 0.000 0.963) 0.982 5.794 ( -0.501 0.000 -0.767) 0.917 5.799 ( 1.049 0.000 -0.150) 1.060 ======================= Grid point 38 (16/60) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( -5.860 0.000 -0.790) 5.913 0.675 ( -2.149 0.000 -3.962) 4.507 0.700 ( 0.346 0.000 0.067) 0.353 0.735 ( -6.082 0.000 -5.657) 8.306 0.825 ( -2.132 0.000 -0.548) 2.202 0.868 ( -1.975 0.000 4.971) 5.349 0.890 ( 3.743 0.000 -0.772) 3.822 0.916 ( 2.243 0.000 -0.842) 2.395 0.916 ( 3.044 0.000 0.566) 3.096 1.052 ( 3.127 0.000 2.157) 3.798 1.062 ( -2.009 0.000 5.468) 5.826 1.109 ( -3.970 0.000 -0.687) 4.029 1.123 ( 1.048 0.000 -0.981) 1.435 1.202 ( -2.384 0.000 5.967) 6.426 1.207 ( -1.051 0.000 1.920) 2.188 1.213 ( 0.539 0.000 -1.776) 1.856 1.220 ( -3.974 0.000 -2.725) 4.819 1.315 ( -2.509 0.000 -2.598) 3.612 1.354 ( 2.044 0.000 -4.688) 5.114 1.389 ( 4.177 0.000 2.168) 4.706 1.414 ( 0.289 0.000 -0.629) 0.692 1.441 ( 1.778 0.000 -0.533) 1.856 1.495 ( -2.994 0.000 1.120) 3.197 1.513 ( 2.543 0.000 2.788) 3.774 1.558 ( -3.324 0.000 0.371) 3.344 1.699 ( -0.203 0.000 -5.497) 5.500 1.703 ( 0.247 0.000 -0.238) 0.343 1.744 ( 0.748 0.000 3.549) 3.627 1.775 ( -0.351 0.000 0.430) 0.555 1.786 ( 1.926 0.000 1.607) 2.509 1.852 ( -2.073 0.000 -3.637) 4.186 1.877 ( 0.689 0.000 4.626) 4.677 1.891 ( -0.163 0.000 2.558) 2.563 1.919 ( 0.013 0.000 -3.670) 3.670 1.990 ( 0.589 0.000 1.933) 2.021 2.011 ( 2.514 0.000 0.866) 2.659 2.026 ( 0.684 0.000 6.116) 6.154 2.079 ( -0.929 0.000 0.120) 0.937 2.175 ( -0.252 0.000 -0.663) 0.709 2.199 ( 4.126 0.000 -0.677) 4.181 2.241 ( 1.520 0.000 -0.596) 1.633 2.256 ( 0.121 0.000 -0.918) 0.926 2.278 ( 1.335 0.000 -1.371) 1.914 2.319 ( -5.235 0.000 -0.916) 5.315 2.365 ( 1.144 0.000 0.644) 1.313 2.454 ( 3.092 0.000 0.849) 3.206 2.480 ( 1.066 0.000 -0.445) 1.155 2.496 ( -1.349 0.000 -0.828) 1.583 2.508 ( -0.450 0.000 -0.320) 0.552 2.533 ( -1.177 0.000 -0.332) 1.223 2.581 ( -0.561 0.000 0.636) 0.849 2.686 ( 1.895 0.000 -2.419) 3.073 2.728 ( 0.922 0.000 -1.674) 1.911 2.765 ( -0.573 0.000 2.962) 3.017 2.850 ( -0.149 0.000 3.017) 3.020 2.938 ( 2.891 0.000 -4.803) 5.606 2.961 ( -2.680 0.000 4.132) 4.925 3.041 ( -3.258 0.000 -0.275) 3.270 3.434 ( 0.013 0.000 2.440) 2.440 3.476 ( -1.117 0.000 0.911) 1.441 3.482 ( 0.669 0.000 1.588) 1.723 3.504 ( 0.415 0.000 -0.598) 0.728 3.589 ( 1.509 0.000 0.061) 1.510 3.608 ( 0.070 0.000 -3.321) 3.322 3.613 ( 0.962 0.000 1.764) 2.009 3.656 ( -0.954 0.000 -0.188) 0.972 3.807 ( 0.647 0.000 4.676) 4.721 3.830 ( -0.844 0.000 -0.858) 1.204 3.870 ( -0.138 0.000 -1.880) 1.885 3.904 ( -0.875 0.000 -5.391) 5.461 3.937 ( -1.102 0.000 -1.403) 1.784 4.050 ( 0.416 0.000 -4.202) 4.223 4.236 ( -0.392 0.000 3.756) 3.777 4.424 ( -0.363 0.000 -2.351) 2.379 5.443 ( 1.061 0.000 1.300) 1.678 5.498 ( -0.041 0.000 -1.989) 1.990 5.603 ( 0.600 0.000 -1.996) 2.085 5.604 ( -1.630 0.000 -0.451) 1.691 5.655 ( -1.336 0.000 -0.340) 1.378 5.692 ( 0.568 0.000 2.559) 2.621 5.716 ( 1.783 0.000 0.684) 1.909 5.721 ( -0.379 0.000 1.426) 1.476 5.790 ( 0.725 0.000 -0.371) 0.814 5.804 ( -0.161 0.000 -0.512) 0.536 ======================= Grid point 39 (17/60) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.423 ( -11.019 0.000 0.028) 11.019 0.463 ( -12.057 0.000 -6.948) 13.916 0.671 ( -3.607 0.000 -1.149) 3.785 0.710 ( 0.782 0.000 -0.062) 0.784 0.746 ( -6.535 0.000 1.389) 6.681 0.845 ( -6.041 0.000 -1.722) 6.281 0.864 ( -1.571 0.000 1.043) 1.885 0.934 ( -1.349 0.000 3.134) 3.412 0.989 ( 2.499 0.000 -0.072) 2.500 0.994 ( -6.136 0.000 -2.398) 6.588 1.065 ( 0.501 0.000 2.946) 2.989 1.088 ( 0.104 0.000 -4.120) 4.122 1.117 ( -3.427 0.000 -1.005) 3.572 1.183 ( -0.355 0.000 6.154) 6.165 1.194 ( 3.823 0.000 4.685) 6.047 1.228 ( 1.850 0.000 0.393) 1.891 1.270 ( 3.022 0.000 3.249) 4.437 1.311 ( 2.941 0.000 -2.472) 3.843 1.363 ( 1.915 0.000 -1.040) 2.179 1.405 ( -1.182 0.000 -1.040) 1.575 1.468 ( 1.360 0.000 0.134) 1.367 1.478 ( 2.625 0.000 1.245) 2.905 1.500 ( -0.028 0.000 3.483) 3.483 1.539 ( 2.567 0.000 -3.131) 4.049 1.605 ( 5.142 0.000 -0.193) 5.146 1.635 ( 1.078 0.000 -3.124) 3.305 1.692 ( -0.726 0.000 -2.408) 2.515 1.761 ( 0.428 0.000 -0.272) 0.507 1.782 ( 1.489 0.000 -0.921) 1.750 1.808 ( 0.977 0.000 -1.600) 1.875 1.871 ( -2.839 0.000 0.805) 2.951 1.873 ( 0.388 0.000 -0.647) 0.754 1.907 ( 1.474 0.000 4.891) 5.108 1.913 ( -0.012 0.000 3.085) 3.085 2.000 ( -0.100 0.000 0.463) 0.474 2.016 ( -1.728 0.000 -1.603) 2.357 2.080 ( 0.042 0.000 0.800) 0.801 2.084 ( -0.601 0.000 4.896) 4.933 2.167 ( -0.295 0.000 0.752) 0.808 2.201 ( -4.482 0.000 -1.512) 4.730 2.246 ( 1.550 0.000 -1.355) 2.059 2.252 ( -1.055 0.000 1.764) 2.055 2.271 ( 2.439 0.000 -0.198) 2.447 2.315 ( 2.556 0.000 0.488) 2.602 2.397 ( 0.236 0.000 1.040) 1.067 2.426 ( -3.264 0.000 -2.584) 4.163 2.494 ( -1.945 0.000 -1.426) 2.411 2.498 ( 0.443 0.000 -0.691) 0.821 2.519 ( 2.426 0.000 0.415) 2.461 2.532 ( 2.742 0.000 0.965) 2.907 2.571 ( -0.284 0.000 -0.339) 0.442 2.696 ( 1.996 0.000 -3.638) 4.150 2.738 ( 1.463 0.000 -1.442) 2.054 2.768 ( -1.875 0.000 2.105) 2.819 2.887 ( 0.929 0.000 3.654) 3.770 2.924 ( 0.378 0.000 -4.957) 4.971 2.962 ( -1.398 0.000 5.061) 5.251 3.006 ( -0.869 0.000 0.825) 1.198 3.454 ( -0.471 0.000 1.480) 1.553 3.461 ( -0.710 0.000 1.790) 1.926 3.505 ( 0.454 0.000 1.426) 1.497 3.514 ( 1.252 0.000 -0.409) 1.317 3.561 ( -1.539 0.000 -2.162) 2.654 3.626 ( 1.747 0.000 0.521) 1.823 3.644 ( -0.932 0.000 1.196) 1.516 3.664 ( 1.968 0.000 2.640) 3.293 3.799 ( -0.753 0.000 -3.332) 3.416 3.822 ( -1.927 0.000 -3.908) 4.357 3.838 ( -0.488 0.000 -4.255) 4.283 3.863 ( 0.114 0.000 2.046) 2.050 3.895 ( -1.526 0.000 -1.976) 2.496 4.009 ( -1.556 0.000 -2.493) 2.939 4.255 ( -0.532 0.000 2.699) 2.751 4.395 ( -0.669 0.000 -3.050) 3.122 5.478 ( -0.491 0.000 -1.568) 1.643 5.484 ( 1.688 0.000 2.091) 2.687 5.559 ( -1.322 0.000 -1.985) 2.385 5.605 ( 1.185 0.000 -1.728) 2.095 5.626 ( -0.916 0.000 -1.082) 1.418 5.722 ( -0.612 0.000 1.224) 1.369 5.742 ( 1.040 0.000 5.677) 5.772 5.757 ( 2.047 0.000 0.684) 2.159 5.784 ( -1.576 0.000 -0.467) 1.644 5.805 ( 1.170 0.000 -0.614) 1.321 ======================= Grid point 40 (18/60) ======================= q-point: (-0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.237 ( -8.622 0.000 8.465) 12.083 0.253 ( -10.038 0.000 6.839) 12.147 0.469 ( -17.388 0.000 10.599) 20.364 0.705 ( -0.902 0.000 -1.719) 1.941 0.722 ( -2.015 0.000 7.239) 7.514 0.785 ( 0.334 0.000 -2.053) 2.080 0.829 ( -1.910 0.000 -1.186) 2.248 0.896 ( -3.280 0.000 2.066) 3.876 0.934 ( -0.868 0.000 -0.672) 1.098 0.986 ( 0.823 0.000 -3.224) 3.327 1.045 ( -1.928 0.000 -2.722) 3.335 1.090 ( 2.738 0.000 -0.365) 2.762 1.156 ( 2.567 0.000 1.701) 3.079 1.187 ( -0.929 0.000 -3.760) 3.873 1.190 ( -2.882 0.000 1.235) 3.135 1.317 ( 1.389 0.000 -0.376) 1.439 1.350 ( 0.405 0.000 5.686) 5.700 1.365 ( 1.770 0.000 2.269) 2.878 1.375 ( 0.540 0.000 -0.309) 0.622 1.377 ( 2.612 0.000 -1.038) 2.811 1.505 ( 3.695 0.000 -2.719) 4.587 1.534 ( 0.163 0.000 1.729) 1.737 1.538 ( 4.387 0.000 0.390) 4.404 1.561 ( 1.924 0.000 -1.553) 2.472 1.649 ( -1.479 0.000 -2.974) 3.322 1.652 ( 2.262 0.000 -0.118) 2.265 1.704 ( 2.806 0.000 1.942) 3.412 1.758 ( 0.437 0.000 -0.708) 0.832 1.770 ( -1.841 0.000 1.671) 2.486 1.810 ( -1.253 0.000 -4.326) 4.504 1.853 ( 1.645 0.000 -0.610) 1.754 1.863 ( 2.498 0.000 -2.200) 3.329 1.950 ( 1.538 0.000 1.310) 2.021 1.961 ( -2.390 0.000 -1.113) 2.636 1.989 ( 1.449 0.000 4.752) 4.968 2.001 ( -0.254 0.000 -0.133) 0.287 2.058 ( -4.457 0.000 -0.023) 4.457 2.066 ( -2.124 0.000 0.517) 2.186 2.143 ( -1.007 0.000 -0.865) 1.328 2.180 ( -0.965 0.000 3.455) 3.587 2.225 ( -1.936 0.000 -1.473) 2.433 2.254 ( -0.691 0.000 -0.498) 0.852 2.294 ( 0.061 0.000 -1.690) 1.691 2.362 ( 1.710 0.000 1.941) 2.587 2.367 ( -0.120 0.000 -1.974) 1.977 2.391 ( -1.271 0.000 1.228) 1.767 2.451 ( -0.865 0.000 -1.164) 1.450 2.514 ( 1.401 0.000 0.207) 1.417 2.537 ( -0.030 0.000 -0.435) 0.436 2.566 ( 0.516 0.000 -1.831) 1.903 2.591 ( 2.379 0.000 0.837) 2.522 2.679 ( 0.077 0.000 -6.113) 6.114 2.729 ( -2.853 0.000 -0.790) 2.960 2.742 ( 0.324 0.000 -0.932) 0.987 2.893 ( 0.364 0.000 -2.669) 2.693 2.944 ( 1.072 0.000 4.824) 4.941 3.014 ( 2.485 0.000 3.905) 4.629 3.019 ( 0.280 0.000 3.377) 3.389 3.448 ( -0.489 0.000 0.390) 0.625 3.476 ( -0.979 0.000 2.756) 2.924 3.513 ( -0.982 0.000 -3.323) 3.465 3.518 ( -0.005 0.000 0.029) 0.030 3.541 ( 1.553 0.000 0.387) 1.600 3.630 ( -2.435 0.000 -4.590) 5.196 3.656 ( 0.442 0.000 1.577) 1.638 3.695 ( -0.022 0.000 -0.053) 0.057 3.705 ( -2.421 0.000 -1.115) 2.666 3.789 ( 0.152 0.000 0.098) 0.181 3.797 ( 0.717 0.000 -3.897) 3.962 3.876 ( 0.330 0.000 1.242) 1.285 3.919 ( 3.395 0.000 8.463) 9.119 3.964 ( -1.446 0.000 -1.728) 2.253 4.261 ( -0.736 0.000 0.889) 1.154 4.333 ( -3.397 0.000 -3.262) 4.709 5.458 ( -0.425 0.000 -0.594) 0.730 5.526 ( 0.467 0.000 1.558) 1.626 5.538 ( 0.565 0.000 -1.269) 1.389 5.587 ( -0.298 0.000 -1.414) 1.445 5.637 ( 2.197 0.000 -0.822) 2.346 5.725 ( -0.390 0.000 1.435) 1.487 5.746 ( -2.122 0.000 -0.284) 2.141 5.787 ( 0.771 0.000 0.106) 0.778 5.817 ( 0.961 0.000 -0.957) 1.356 5.831 ( 3.010 0.000 3.149) 4.356 ======================= Grid point 41 (19/60) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.322 ( -2.739 5.403 9.812) 11.531 0.370 ( 2.885 6.374 9.766) 12.014 0.598 ( -1.539 1.984 5.619) 6.154 0.645 ( 3.648 -0.333 6.305) 7.292 0.680 ( 1.184 -3.458 9.280) 9.974 0.754 ( 0.288 -1.263 2.180) 2.536 0.827 ( -0.332 -2.240 4.549) 5.081 0.889 ( 1.280 3.641 -0.667) 3.917 0.927 ( 1.780 -1.740 -0.511) 2.541 0.983 ( 0.890 -2.161 -0.407) 2.372 1.015 ( -0.010 1.664 -0.721) 1.813 1.039 ( -4.425 -1.285 1.463) 4.835 1.116 ( -0.078 -1.433 -2.381) 2.780 1.137 ( 0.674 -1.998 -1.194) 2.423 1.185 ( -1.469 1.106 1.238) 2.216 1.270 ( -2.254 -2.124 -0.034) 3.097 1.283 ( -1.204 -1.982 -2.659) 3.529 1.320 ( -2.750 -2.686 -2.844) 4.781 1.412 ( -0.853 2.024 0.505) 2.254 1.451 ( 1.068 2.037 -2.396) 3.322 1.505 ( 0.953 -2.116 2.951) 3.754 1.540 ( 1.027 -1.390 -1.650) 2.389 1.599 ( 2.652 1.612 -0.652) 3.171 1.625 ( 3.330 1.996 0.836) 3.971 1.657 ( -0.296 0.794 3.537) 3.638 1.687 ( -3.619 1.664 -1.192) 4.158 1.694 ( 0.926 0.866 -0.290) 1.301 1.753 ( 0.380 0.204 0.933) 1.028 1.782 ( 0.766 -1.898 0.849) 2.216 1.819 ( 0.093 2.904 -0.705) 2.990 1.850 ( 0.273 -0.662 -0.956) 1.194 1.887 ( -2.419 -0.753 -5.002) 5.607 1.943 ( -3.374 1.272 -0.346) 3.623 1.964 ( -0.241 2.330 -2.283) 3.271 1.970 ( 0.637 -1.103 -2.416) 2.731 2.008 ( -0.747 0.306 -1.003) 1.287 2.039 ( -0.484 -0.453 0.918) 1.133 2.045 ( 1.042 0.661 -0.048) 1.235 2.085 ( -0.442 0.474 -0.553) 0.852 2.134 ( -2.166 -1.834 0.630) 2.907 2.189 ( -1.375 -1.291 0.155) 1.892 2.245 ( 2.056 -0.973 -0.030) 2.275 2.309 ( -1.370 -0.219 0.360) 1.433 2.350 ( -0.336 1.550 -3.397) 3.749 2.389 ( 0.370 1.949 -3.059) 3.646 2.411 ( 1.976 -2.874 -0.305) 3.501 2.482 ( 0.925 2.925 0.340) 3.086 2.523 ( 0.160 -0.170 -3.581) 3.588 2.541 ( 0.166 1.311 -1.172) 1.766 2.578 ( 0.299 -0.232 -1.006) 1.075 2.625 ( -1.727 1.418 -2.252) 3.173 2.641 ( 0.123 0.277 -2.014) 2.037 2.717 ( -0.149 2.309 -0.961) 2.505 2.758 ( 0.630 0.829 -0.407) 1.118 2.886 ( -0.276 0.741 0.516) 0.945 2.959 ( -1.341 -0.621 3.599) 3.891 3.023 ( -1.252 1.041 3.057) 3.464 3.064 ( 0.711 -0.649 5.172) 5.261 3.451 ( -0.774 0.595 -0.801) 1.263 3.458 ( -2.208 0.537 -1.741) 2.863 3.470 ( -0.250 -0.794 -2.013) 2.178 3.503 ( -1.166 -1.011 -0.014) 1.544 3.558 ( 0.152 0.549 -0.312) 0.649 3.577 ( 0.433 -0.121 0.633) 0.777 3.672 ( 0.282 0.768 2.101) 2.255 3.704 ( -1.740 2.399 -2.655) 3.979 3.723 ( 1.654 -0.655 1.919) 2.617 3.800 ( 0.534 -1.404 0.425) 1.561 3.847 ( 4.382 0.803 2.737) 5.229 3.899 ( 0.991 -0.682 2.612) 2.875 3.930 ( 0.804 -0.640 -0.667) 1.225 3.995 ( 2.026 -6.590 2.502) 7.335 4.252 ( -1.213 0.852 -0.829) 1.699 4.310 ( 4.000 -3.024 0.634) 5.054 5.472 ( 1.015 0.675 0.506) 1.320 5.500 ( -0.885 -0.534 -0.798) 1.306 5.567 ( 1.511 1.499 -0.070) 2.129 5.608 ( 0.783 0.486 0.332) 0.979 5.652 ( 0.868 -0.870 -0.674) 1.402 5.678 ( -1.997 -1.556 0.224) 2.541 5.743 ( 0.429 0.445 0.657) 0.902 5.776 ( -0.485 -0.662 -0.657) 1.051 5.823 ( -4.543 4.170 -3.956) 7.327 5.838 ( -0.660 1.306 -1.703) 2.246 ======================= Grid point 42 (20/60) ======================= q-point: ( 0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( 5.822 2.089 7.484) 9.710 0.519 ( 4.848 6.969 7.854) 11.565 0.613 ( 1.192 -4.921 0.375) 5.077 0.723 ( 2.942 -4.387 0.882) 5.355 0.781 ( 3.085 -2.939 1.398) 4.484 0.844 ( -0.328 1.183 6.376) 6.493 0.893 ( -0.099 -2.179 0.987) 2.394 0.922 ( 0.543 -2.581 4.936) 5.597 0.939 ( 1.736 0.949 0.267) 1.996 0.984 ( 0.580 0.922 1.467) 1.827 0.999 ( -0.644 -1.407 -1.186) 1.949 1.041 ( 0.272 1.119 4.802) 4.939 1.100 ( 2.449 2.314 0.088) 3.371 1.142 ( -1.366 -2.216 1.306) 2.913 1.176 ( 0.392 0.111 -1.179) 1.248 1.211 ( -2.635 -1.154 -1.219) 3.124 1.244 ( -0.333 -0.202 -1.016) 1.088 1.311 ( 1.175 -1.789 -0.466) 2.190 1.400 ( 0.618 2.222 1.151) 2.578 1.439 ( -1.238 2.512 -0.270) 2.813 1.509 ( -1.399 0.762 -0.936) 1.847 1.534 ( -3.399 -0.942 -0.427) 3.553 1.594 ( -1.313 0.667 1.896) 2.401 1.617 ( -3.122 1.818 0.121) 3.615 1.626 ( -0.800 1.133 -0.804) 1.604 1.663 ( -1.590 -2.024 -0.573) 2.637 1.729 ( 1.161 0.548 1.183) 1.746 1.755 ( -3.071 -2.015 -0.918) 3.786 1.781 ( -0.072 -0.679 -4.900) 4.947 1.797 ( 0.818 0.355 2.861) 2.997 1.844 ( 2.740 1.677 -0.123) 3.214 1.867 ( 0.715 0.421 -1.257) 1.506 1.880 ( -2.193 2.672 0.345) 3.474 1.950 ( -0.428 2.087 -1.802) 2.790 1.954 ( -0.235 0.318 -2.932) 2.959 1.986 ( 0.322 -0.265 -1.420) 1.480 2.013 ( -0.768 -0.302 -0.649) 1.050 2.073 ( 1.284 -1.396 -0.178) 1.905 2.084 ( -0.427 2.105 0.333) 2.174 2.136 ( 1.762 -1.406 0.429) 2.295 2.175 ( 0.748 -1.111 -1.134) 1.755 2.256 ( -2.417 0.264 -1.981) 3.136 2.289 ( 1.836 -1.771 0.805) 2.675 2.312 ( -1.032 0.450 -2.465) 2.709 2.385 ( 0.414 0.165 -0.314) 0.545 2.444 ( 1.320 -2.012 0.046) 2.407 2.488 ( -0.381 -0.183 -1.781) 1.831 2.499 ( 0.228 -0.522 -0.138) 0.586 2.524 ( -0.328 -0.110 -1.718) 1.752 2.564 ( -0.016 1.704 -1.000) 1.975 2.598 ( -1.409 0.534 0.173) 1.516 2.653 ( 2.252 -1.111 -1.402) 2.876 2.721 ( 0.675 1.432 -0.357) 1.623 2.773 ( 1.836 0.407 -1.186) 2.223 2.878 ( -1.712 2.523 1.542) 3.417 2.966 ( -0.435 2.621 1.587) 3.095 3.010 ( -3.498 1.146 3.886) 5.353 3.109 ( -0.960 -1.254 4.175) 4.463 3.413 ( -0.389 1.018 -1.115) 1.559 3.446 ( -0.183 -0.518 0.526) 0.760 3.459 ( 0.259 -1.656 -1.081) 1.994 3.480 ( -0.089 -1.667 -0.754) 1.832 3.555 ( -0.400 1.185 -0.147) 1.259 3.585 ( 0.034 -0.911 -0.071) 0.914 3.666 ( -0.339 2.745 -1.406) 3.103 3.691 ( 0.189 1.165 0.879) 1.472 3.748 ( 0.410 0.374 0.971) 1.118 3.823 ( 0.443 -2.159 1.579) 2.711 3.889 ( -0.125 0.943 -0.908) 1.315 3.934 ( 0.832 -0.384 1.121) 1.448 3.990 ( 4.096 -0.856 1.399) 4.412 4.006 ( -0.018 -1.871 -0.133) 1.876 4.222 ( -1.011 1.650 -0.877) 2.125 4.382 ( 2.627 -7.611 -1.200) 8.141 5.481 ( 0.006 1.496 -1.566) 2.166 5.511 ( 2.008 0.009 1.381) 2.437 5.575 ( -1.304 2.198 -0.092) 2.557 5.625 ( 1.454 0.468 1.063) 1.861 5.637 ( -0.896 -0.421 -0.901) 1.338 5.673 ( 1.066 -0.718 -0.194) 1.300 5.717 ( -2.674 2.857 0.013) 3.914 5.756 ( -1.296 0.095 -1.166) 1.746 5.773 ( 0.805 0.231 0.615) 1.039 5.809 ( -1.142 -0.421 -1.139) 1.667 ======================= Grid point 43 (21/60) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 6.074 -1.625 1.756) 6.529 0.636 ( 2.103 -0.803 0.552) 2.318 0.657 ( 3.339 1.922 3.467) 5.183 0.768 ( -1.474 -3.788 1.194) 4.236 0.810 ( -0.773 -1.125 0.701) 1.534 0.850 ( -0.429 -1.977 1.239) 2.373 0.854 ( -2.267 -0.826 -3.022) 3.867 0.908 ( 0.287 1.194 -1.777) 2.160 0.966 ( 2.059 -3.749 0.523) 4.309 0.999 ( 1.547 -1.291 0.605) 2.104 1.030 ( -2.059 -2.112 1.642) 3.376 1.061 ( -4.138 -2.824 -1.570) 5.250 1.118 ( 4.175 1.745 3.293) 5.596 1.147 ( -0.139 2.146 3.338) 3.970 1.180 ( 1.223 -0.580 0.856) 1.602 1.260 ( 4.505 -0.591 2.799) 5.337 1.268 ( 1.152 1.412 0.886) 2.026 1.315 ( 0.755 1.421 -2.063) 2.616 1.386 ( -3.548 0.871 -1.018) 3.793 1.408 ( -2.208 0.125 -0.507) 2.268 1.456 ( -2.915 1.307 -1.284) 3.443 1.480 ( -0.490 3.222 -1.399) 3.546 1.525 ( -4.624 1.258 -1.388) 4.989 1.578 ( -4.373 0.352 0.185) 4.391 1.614 ( -2.168 0.845 2.796) 3.638 1.654 ( 0.255 -3.565 -0.036) 3.575 1.710 ( 0.105 0.310 1.084) 1.133 1.758 ( 1.910 0.243 -1.022) 2.180 1.768 ( 0.534 0.996 2.389) 2.643 1.802 ( -0.776 0.867 0.759) 1.389 1.844 ( -1.239 2.586 1.872) 3.425 1.878 ( 1.436 3.344 -0.897) 3.748 1.914 ( -0.710 -0.848 -0.436) 1.189 1.927 ( 1.300 0.772 -0.161) 1.521 1.959 ( 2.044 1.970 1.757) 3.338 1.977 ( 0.492 0.400 -3.078) 3.143 2.018 ( 0.714 -0.350 1.445) 1.649 2.072 ( -0.623 0.534 0.290) 0.870 2.103 ( 3.253 -2.531 -0.878) 4.214 2.179 ( 1.174 -0.967 -1.852) 2.396 2.192 ( 2.364 -3.459 -0.850) 4.275 2.207 ( -0.192 -0.871 -0.552) 1.049 2.276 ( -0.510 -0.603 -2.093) 2.237 2.314 ( -0.432 -3.304 1.741) 3.760 2.386 ( 0.056 1.215 -0.297) 1.252 2.447 ( -0.742 0.479 -0.900) 1.261 2.470 ( -0.111 -0.983 -0.421) 1.075 2.499 ( -0.950 -2.098 -0.257) 2.318 2.508 ( 0.002 -0.633 -0.575) 0.855 2.556 ( -0.251 -1.668 -0.350) 1.723 2.585 ( -0.014 4.048 0.421) 4.070 2.682 ( 2.227 -1.060 -1.546) 2.911 2.726 ( 0.795 1.982 -1.404) 2.556 2.793 ( 1.363 0.698 -1.126) 1.901 2.860 ( -1.664 3.269 1.915) 4.138 2.971 ( 0.450 2.983 -0.200) 3.024 2.974 ( -3.850 0.401 3.526) 5.236 3.092 ( -3.141 -1.263 1.089) 3.556 3.416 ( 0.098 0.310 1.369) 1.407 3.447 ( -0.533 -1.506 1.060) 1.917 3.461 ( 1.037 -0.518 0.587) 1.299 3.500 ( 1.486 -1.492 -0.116) 2.109 3.553 ( 0.830 0.616 -0.451) 1.128 3.580 ( -0.290 -1.098 -0.145) 1.145 3.657 ( 0.202 2.151 -1.418) 2.585 3.689 ( -0.622 0.814 -0.600) 1.187 3.769 ( 0.550 1.117 2.321) 2.634 3.833 ( -0.315 -1.438 0.486) 1.550 3.884 ( 0.243 0.715 -0.669) 1.009 3.928 ( -0.763 -1.587 -1.049) 2.050 3.991 ( -0.176 1.718 -1.942) 2.599 4.052 ( 2.120 -1.127 -2.632) 3.562 4.219 ( 0.185 1.892 2.252) 2.946 4.390 ( 0.042 -5.948 -1.149) 6.058 5.473 ( 0.291 3.581 -0.634) 3.648 5.529 ( -0.578 1.365 -0.707) 1.642 5.582 ( 1.854 -0.446 1.082) 2.193 5.613 ( -0.356 -0.582 -1.760) 1.887 5.667 ( 1.467 -0.056 0.808) 1.676 5.686 ( -0.891 1.158 1.107) 1.833 5.695 ( -0.092 -0.964 -0.001) 0.968 5.715 ( -1.450 0.055 -0.246) 1.471 5.788 ( -0.410 -0.506 -0.455) 0.794 5.792 ( 0.742 -0.598 -0.041) 0.954 ======================= Grid point 44 (22/60) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( -4.744 1.440 -2.011) 5.350 0.648 ( -1.109 -1.291 -1.552) 2.303 0.668 ( -0.000 -3.435 -1.479) 3.740 0.755 ( -2.393 0.742 -5.405) 5.957 0.763 ( -2.357 -2.412 0.399) 3.396 0.831 ( 0.725 -2.251 3.443) 4.178 0.869 ( 1.936 -2.201 0.356) 2.952 0.889 ( -1.967 -1.414 -1.301) 2.749 0.939 ( -1.525 0.062 -2.017) 2.529 0.993 ( -1.902 -3.995 1.934) 4.829 1.058 ( 3.066 -3.586 0.611) 4.757 1.080 ( 1.621 -1.796 3.406) 4.177 1.140 ( -0.848 3.430 -0.072) 3.534 1.198 ( -1.184 1.155 3.002) 3.427 1.228 ( -0.173 1.847 5.210) 5.531 1.256 ( -1.542 1.533 0.808) 2.320 1.280 ( -4.699 2.757 -1.839) 5.751 1.292 ( 0.184 0.597 -3.494) 3.549 1.368 ( 0.422 -0.264 -1.430) 1.514 1.388 ( 4.725 -0.414 2.146) 5.206 1.429 ( -0.098 1.872 -1.091) 2.169 1.440 ( -0.528 0.494 -1.848) 1.984 1.466 ( 0.564 -0.928 -2.700) 2.910 1.532 ( -0.919 -0.083 2.348) 2.523 1.571 ( -2.192 1.121 0.650) 2.546 1.676 ( 0.514 -3.583 0.555) 3.662 1.732 ( 0.280 2.652 -1.618) 3.119 1.751 ( -0.538 3.910 0.040) 3.947 1.777 ( 0.128 0.886 -0.229) 0.924 1.844 ( 0.026 1.096 2.512) 2.741 1.853 ( -0.136 1.728 -1.644) 2.389 1.883 ( 0.208 -0.476 3.308) 3.348 1.906 ( 0.615 1.226 0.046) 1.372 1.931 ( -0.142 2.911 -1.360) 3.216 1.977 ( 1.527 -2.180 2.682) 3.778 2.004 ( 0.532 1.343 0.617) 1.571 2.053 ( 0.309 -0.430 3.005) 3.051 2.065 ( -0.097 0.877 0.723) 1.141 2.154 ( 0.175 -2.303 0.595) 2.385 2.190 ( 2.569 -5.782 -0.718) 6.367 2.198 ( 2.608 -0.419 -0.676) 2.726 2.236 ( 0.221 -1.537 0.151) 1.561 2.262 ( -0.178 -0.812 -1.054) 1.342 2.325 ( -1.030 -2.207 1.316) 2.768 2.350 ( -0.575 1.742 -1.866) 2.617 2.446 ( -0.100 -1.771 -1.084) 2.079 2.470 ( 0.517 0.373 0.275) 0.694 2.484 ( 1.166 0.393 0.711) 1.421 2.511 ( 0.199 -0.943 0.079) 0.967 2.554 ( 0.007 -0.988 -0.165) 1.002 2.589 ( -0.120 3.744 0.113) 3.748 2.702 ( 1.510 -1.681 -1.226) 2.570 2.729 ( 1.729 3.321 -2.822) 4.689 2.802 ( 0.268 1.037 0.240) 1.097 2.857 ( -0.718 2.149 2.211) 3.166 2.947 ( -2.447 -0.539 3.224) 4.083 2.976 ( 0.725 2.321 -1.480) 2.847 3.039 ( -2.732 -0.408 -0.232) 2.772 3.433 ( 0.080 0.019 2.290) 2.292 3.459 ( 0.260 -1.420 1.873) 2.365 3.481 ( -0.032 0.425 0.645) 0.773 3.514 ( 0.247 0.104 0.471) 0.542 3.571 ( 0.678 -1.545 -0.265) 1.708 3.583 ( 1.401 -0.691 0.125) 1.567 3.637 ( -0.575 1.267 -1.825) 2.295 3.671 ( -0.586 0.610 -0.376) 0.926 3.803 ( 0.138 -0.112 3.345) 3.350 3.822 ( -0.751 -0.735 -0.610) 1.215 3.877 ( -0.096 0.653 -1.620) 1.749 3.896 ( -0.872 -0.442 -3.166) 3.314 3.961 ( -0.652 2.107 -3.097) 3.802 4.038 ( 0.182 -1.299 -4.193) 4.393 4.246 ( -0.272 1.330 3.288) 3.557 4.377 ( -0.403 -4.475 -0.997) 4.602 5.484 ( 0.935 3.616 0.605) 3.784 5.510 ( -0.237 1.153 -1.836) 2.181 5.594 ( 0.035 -0.622 -1.331) 1.470 5.607 ( -0.254 0.129 -0.386) 0.480 5.648 ( -1.853 -0.476 -1.241) 2.281 5.686 ( 0.762 -1.824 0.186) 1.985 5.711 ( 0.880 0.874 2.472) 2.766 5.730 ( 0.919 0.286 1.614) 1.879 5.784 ( 0.285 -0.427 -0.214) 0.556 5.797 ( -0.064 -0.722 -0.269) 0.773 ======================= Grid point 45 (23/60) ======================= q-point: (-0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( -8.849 4.852 -2.512) 10.400 0.504 ( -9.320 3.808 -4.646) 11.088 0.656 ( -1.043 -3.593 -0.612) 3.791 0.664 ( -4.610 -0.308 -0.667) 4.668 0.756 ( -1.030 -4.135 -1.635) 4.564 0.790 ( -4.452 -3.185 2.455) 5.999 0.838 ( -4.509 -0.873 1.250) 4.760 0.909 ( 0.706 -2.921 -1.776) 3.490 0.933 ( 0.404 -1.771 2.071) 2.754 0.987 ( 0.012 -2.249 0.661) 2.344 1.038 ( -2.116 -2.784 -2.579) 4.345 1.084 ( -2.997 -2.364 2.722) 4.688 1.131 ( -2.356 3.767 -0.737) 4.504 1.206 ( -1.855 2.695 3.801) 5.015 1.220 ( -1.788 -0.189 -0.024) 1.798 1.234 ( 2.157 2.070 5.344) 6.123 1.282 ( 3.318 1.193 1.176) 3.717 1.334 ( 3.724 0.372 1.276) 3.954 1.365 ( 1.024 0.692 -0.913) 1.536 1.393 ( 0.074 -0.219 -2.190) 2.202 1.438 ( 1.862 -0.872 -1.323) 2.445 1.490 ( 2.247 1.500 0.689) 2.788 1.520 ( 1.838 -2.144 -1.409) 3.156 1.554 ( 3.759 2.247 2.761) 5.178 1.598 ( 3.208 -1.177 1.529) 3.743 1.631 ( -0.392 0.759 -6.689) 6.743 1.695 ( -0.983 -0.186 -2.314) 2.521 1.750 ( -0.489 -0.446 -1.971) 2.079 1.781 ( 0.913 1.600 -0.317) 1.869 1.844 ( -0.531 -0.575 1.589) 1.772 1.854 ( -1.376 1.092 0.065) 1.758 1.894 ( 0.557 1.115 -0.077) 1.249 1.912 ( 0.745 1.167 2.598) 2.944 1.959 ( 1.436 4.751 2.176) 5.419 2.007 ( -0.077 0.241 0.706) 0.750 2.020 ( -0.179 -0.513 0.825) 0.987 2.053 ( 0.330 -2.046 -1.027) 2.313 2.089 ( -1.366 0.636 3.739) 4.031 2.158 ( -1.290 -1.947 2.788) 3.637 2.183 ( -2.184 -0.484 -0.448) 2.281 2.231 ( -0.688 -1.866 0.461) 2.041 2.246 ( 0.403 -4.797 0.529) 4.843 2.270 ( 1.828 1.393 -0.740) 2.414 2.307 ( 2.385 0.173 -0.302) 2.410 2.366 ( 1.299 0.209 -1.608) 2.078 2.418 ( -0.550 -3.017 -1.366) 3.357 2.481 ( -0.657 1.888 -0.602) 2.088 2.514 ( 1.292 0.598 0.865) 1.666 2.533 ( 1.093 0.205 0.499) 1.219 2.552 ( 0.843 -0.761 -0.811) 1.396 2.593 ( 1.087 4.427 0.333) 4.571 2.719 ( 1.014 -0.942 0.031) 1.385 2.735 ( 2.417 2.792 -4.775) 6.036 2.802 ( -0.940 1.673 0.484) 1.979 2.871 ( 0.197 -0.129 1.704) 1.720 2.942 ( -1.190 -0.976 2.777) 3.175 2.963 ( -0.906 1.939 -0.393) 2.176 3.011 ( -0.775 0.148 0.911) 1.205 3.457 ( 0.160 0.267 2.262) 2.283 3.468 ( -1.031 0.858 0.936) 1.636 3.486 ( 0.817 -1.086 1.161) 1.788 3.521 ( -0.045 -0.690 0.294) 0.751 3.564 ( -0.203 0.941 -1.266) 1.590 3.619 ( 1.110 -1.449 0.779) 1.985 3.630 ( 0.409 0.203 0.687) 0.825 3.667 ( 0.230 -0.483 0.407) 0.672 3.798 ( -0.911 -0.292 -1.012) 1.393 3.821 ( -1.362 -1.319 2.141) 2.860 3.835 ( -1.127 0.454 -5.528) 5.660 3.850 ( -0.756 0.453 -3.893) 3.991 3.925 ( -0.820 1.982 -1.324) 2.521 3.995 ( -1.487 -1.390 -2.358) 3.115 4.264 ( -0.448 1.023 2.315) 2.570 4.355 ( -1.113 -3.482 -1.316) 3.885 5.489 ( -0.574 1.041 -1.383) 1.824 5.509 ( 0.872 1.347 0.688) 1.745 5.575 ( -0.729 2.159 -1.249) 2.598 5.602 ( 0.628 -0.220 -1.582) 1.716 5.612 ( -0.419 -0.953 -0.975) 1.427 5.700 ( -0.083 -2.417 0.931) 2.591 5.759 ( 1.102 0.592 1.215) 1.744 5.765 ( 1.928 1.510 3.083) 3.937 5.780 ( -0.485 -0.430 -0.025) 0.649 5.802 ( 1.268 -0.370 -0.018) 1.321 ======================= Grid point 46 (24/60) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.299 ( -6.028 7.264 3.340) 10.013 0.351 ( -7.645 7.776 5.129) 12.051 0.578 ( -7.503 8.879 9.022) 14.714 0.626 ( -1.913 -7.507 1.580) 7.906 0.682 ( -4.882 -6.869 1.007) 8.487 0.762 ( -1.965 2.671 0.663) 3.382 0.803 ( -0.667 -3.684 1.960) 4.226 0.891 ( -0.182 -0.259 -0.183) 0.366 0.917 ( -0.449 -0.569 -2.592) 2.691 0.981 ( -0.605 -1.039 1.033) 1.585 1.042 ( -1.043 -0.865 -2.533) 2.873 1.049 ( 0.907 -4.613 1.951) 5.090 1.121 ( 0.421 -0.894 0.221) 1.013 1.169 ( -1.946 -1.680 -1.768) 3.120 1.202 ( -2.451 1.501 2.237) 3.642 1.292 ( 0.159 -1.516 1.091) 1.874 1.349 ( -2.512 0.086 -1.553) 2.954 1.373 ( 0.820 0.711 3.416) 3.585 1.389 ( 1.608 0.732 -0.295) 1.791 1.414 ( 4.551 2.736 -1.783) 5.602 1.459 ( 1.599 -3.580 -0.307) 3.933 1.521 ( 0.874 -0.790 0.405) 1.245 1.548 ( 3.797 1.522 0.509) 4.122 1.577 ( 2.198 1.909 -4.137) 5.059 1.642 ( 0.871 -1.375 0.624) 1.743 1.663 ( 2.158 0.075 -1.337) 2.540 1.685 ( 2.167 -0.830 -0.266) 2.336 1.738 ( 1.522 -1.102 0.623) 1.979 1.787 ( -0.721 0.325 -0.947) 1.233 1.813 ( -0.020 2.459 1.006) 2.657 1.862 ( -1.227 2.157 -1.307) 2.805 1.927 ( 2.295 2.967 -0.734) 3.822 1.947 ( 1.436 -0.706 1.403) 2.129 1.990 ( 0.205 0.247 1.198) 1.240 1.998 ( -0.891 2.440 0.177) 2.603 2.010 ( -1.140 -0.490 0.224) 1.261 2.044 ( -1.730 -1.512 -0.741) 2.414 2.064 ( -2.660 1.517 0.357) 3.083 2.114 ( -2.491 -1.473 -0.170) 2.899 2.166 ( -1.925 -1.801 2.122) 3.384 2.216 ( -1.309 -1.713 -0.190) 2.164 2.238 ( -0.705 -3.863 -0.851) 4.018 2.293 ( 1.290 0.693 0.744) 1.642 2.364 ( 3.582 -0.413 -1.190) 3.797 2.376 ( 0.982 1.661 -2.345) 3.037 2.403 ( 0.557 -1.855 -1.235) 2.297 2.468 ( 0.109 3.568 -0.077) 3.571 2.532 ( 0.759 0.635 -0.565) 1.139 2.542 ( 0.744 0.520 -1.160) 1.473 2.567 ( 0.932 -0.810 -0.377) 1.291 2.632 ( 1.925 4.068 0.074) 4.501 2.713 ( 0.252 2.404 -7.709) 8.079 2.733 ( 0.344 0.543 -0.234) 0.684 2.771 ( -1.873 2.493 -1.147) 3.323 2.884 ( 0.500 -0.499 -0.484) 0.856 2.946 ( -0.806 -0.903 3.336) 3.549 2.984 ( 1.098 -0.707 4.648) 4.828 3.022 ( 0.081 -0.626 3.025) 3.090 3.458 ( -0.258 0.837 0.215) 0.902 3.478 ( -0.414 0.237 1.786) 1.849 3.505 ( -0.159 -0.793 -0.361) 0.885 3.514 ( -0.214 -0.904 -0.684) 1.154 3.555 ( 0.355 1.699 -0.626) 1.845 3.607 ( -2.232 -1.341 -2.740) 3.780 3.652 ( 0.512 -0.271 1.340) 1.460 3.674 ( 0.180 -1.112 2.340) 2.597 3.758 ( -1.611 2.713 -2.835) 4.242 3.785 ( 0.852 0.416 -0.756) 1.213 3.807 ( 0.083 0.467 -3.200) 3.235 3.834 ( 0.243 -2.896 3.964) 4.915 3.926 ( 0.587 0.433 3.040) 3.126 3.955 ( -1.269 -0.882 -1.328) 2.038 4.268 ( -0.596 0.709 0.736) 1.182 4.311 ( -2.423 -1.631 -1.098) 3.120 5.468 ( -0.548 1.066 -0.472) 1.288 5.518 ( -0.477 -1.030 0.444) 1.218 5.557 ( 0.066 1.505 -1.545) 2.158 5.592 ( 1.061 0.763 -1.229) 1.794 5.631 ( 1.607 -0.246 -0.082) 1.628 5.701 ( -0.858 -2.390 1.044) 2.746 5.746 ( -1.180 0.575 -0.117) 1.318 5.782 ( 0.130 -0.711 -0.076) 0.727 5.832 ( 1.722 1.267 -0.515) 2.198 5.854 ( 3.881 0.973 0.976) 4.119 ======================= Grid point 47 (25/60) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( -0.821 -3.147 3.739) 4.956 0.425 ( -0.821 3.147 3.739) 4.956 0.550 ( 1.614 -2.164 6.994) 7.497 0.550 ( 1.614 2.164 6.994) 7.497 0.770 ( 0.074 -2.779 5.973) 6.589 0.770 ( 0.074 2.779 5.973) 6.589 0.849 ( -1.133 -7.640 1.104) 7.802 0.849 ( -1.133 7.640 1.104) 7.802 0.954 ( 4.129 -2.844 1.786) 5.322 0.954 ( 4.129 2.844 1.786) 5.322 1.010 ( -2.052 -0.632 2.767) 3.502 1.010 ( -2.052 0.632 2.767) 3.502 1.105 ( -0.090 -0.802 -1.832) 2.002 1.105 ( -0.090 0.802 -1.832) 2.002 1.219 ( -1.673 -2.606 0.221) 3.105 1.219 ( -1.673 2.606 0.221) 3.105 1.277 ( -1.587 -1.396 -5.170) 5.585 1.277 ( -1.587 1.396 -5.170) 5.585 1.449 ( 0.186 -2.026 1.400) 2.470 1.449 ( 0.186 2.026 1.400) 2.470 1.509 ( 1.257 -2.355 -2.070) 3.378 1.509 ( 1.257 2.355 -2.070) 3.378 1.634 ( 2.436 -1.610 -0.133) 2.923 1.634 ( 2.436 1.610 -0.133) 2.923 1.673 ( -0.376 -2.046 2.227) 3.047 1.673 ( -0.376 2.046 2.227) 3.047 1.740 ( 0.660 -1.533 0.690) 1.806 1.740 ( 0.660 1.533 0.690) 1.806 1.811 ( -1.296 -5.001 -0.936) 5.251 1.811 ( -1.296 5.001 -0.936) 5.251 1.855 ( -1.278 -0.590 -2.506) 2.874 1.855 ( -1.278 0.590 -2.506) 2.874 1.952 ( -0.965 -1.197 -1.582) 2.206 1.952 ( -0.965 1.197 -1.582) 2.206 2.004 ( 0.864 -1.838 -1.304) 2.413 2.004 ( 0.864 1.838 -1.304) 2.413 2.040 ( -1.940 -1.868 0.249) 2.705 2.040 ( -1.940 1.868 0.249) 2.705 2.114 ( -0.629 -2.620 -0.866) 2.831 2.114 ( -0.629 2.620 -0.866) 2.831 2.185 ( 0.898 -3.014 1.730) 3.589 2.185 ( 0.898 3.014 1.730) 3.589 2.346 ( -0.711 -2.301 -1.448) 2.810 2.346 ( -0.711 2.301 -1.448) 2.810 2.389 ( 1.315 -1.052 -1.228) 2.084 2.389 ( 1.315 1.052 -1.228) 2.084 2.520 ( 1.032 -1.037 -3.320) 3.628 2.520 ( 1.032 1.037 -3.320) 3.628 2.561 ( -0.148 -0.938 -0.080) 0.953 2.561 ( -0.148 0.938 -0.080) 0.953 2.643 ( -1.760 -0.225 -3.290) 3.738 2.643 ( -1.760 0.225 -3.290) 3.738 2.753 ( 0.085 -1.448 -1.944) 2.426 2.753 ( 0.085 1.448 -1.944) 2.426 2.926 ( -0.135 -2.682 3.528) 4.434 2.926 ( -0.135 2.682 3.528) 4.434 3.046 ( 0.301 -1.264 4.370) 4.560 3.046 ( 0.301 1.264 4.370) 4.560 3.455 ( -0.529 -0.441 -1.887) 2.009 3.455 ( -0.529 0.441 -1.887) 2.009 3.481 ( -1.960 -1.201 -0.793) 2.431 3.481 ( -1.960 1.201 -0.793) 2.431 3.570 ( 0.167 -0.609 0.147) 0.649 3.570 ( 0.167 0.609 0.147) 0.649 3.693 ( 0.667 -1.402 2.969) 3.350 3.693 ( 0.667 1.402 2.969) 3.350 3.763 ( -0.265 -2.689 -2.057) 3.397 3.763 ( -0.265 2.689 -2.057) 3.397 3.869 ( 3.866 -1.779 4.206) 5.983 3.869 ( 3.866 1.779 4.206) 5.983 3.933 ( 0.053 -1.162 -0.065) 1.165 3.933 ( 0.053 1.162 -0.065) 1.165 4.273 ( -0.184 -1.462 -0.329) 1.510 4.273 ( -0.184 1.462 -0.329) 1.510 5.486 ( 0.258 -0.839 -0.032) 0.878 5.486 ( 0.258 0.839 -0.032) 0.878 5.600 ( 1.837 -1.730 -0.874) 2.671 5.600 ( 1.837 1.730 -0.874) 2.671 5.651 ( -1.042 -1.152 0.739) 1.720 5.651 ( -1.042 1.152 0.739) 1.720 5.759 ( 0.043 -1.072 -0.135) 1.081 5.759 ( 0.043 1.072 -0.135) 1.081 5.854 ( -1.608 -0.298 -2.494) 2.982 5.854 ( -1.608 0.298 -2.494) 2.982 ======================= Grid point 49 (26/60) ======================= q-point: ( 0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( 4.012 -5.520 3.980) 7.900 0.499 ( 4.012 5.520 3.980) 7.900 0.643 ( 3.566 -4.678 5.193) 7.847 0.643 ( 3.566 4.678 5.193) 7.847 0.795 ( 0.656 -4.505 0.404) 4.570 0.795 ( 0.656 4.505 0.404) 4.570 0.886 ( -1.498 -1.430 3.538) 4.099 0.886 ( -1.498 1.430 3.538) 4.099 0.951 ( -0.682 -1.528 -1.726) 2.404 0.951 ( -0.682 1.528 -1.726) 2.404 1.053 ( 0.257 -2.982 5.731) 6.466 1.053 ( 0.257 2.982 5.731) 6.466 1.111 ( 0.846 -1.476 0.158) 1.709 1.111 ( 0.846 1.476 0.158) 1.709 1.179 ( -0.802 -0.308 -2.153) 2.318 1.179 ( -0.802 0.308 -2.153) 2.318 1.271 ( 2.919 -2.358 -0.590) 3.799 1.271 ( 2.919 2.358 -0.590) 3.799 1.457 ( -0.952 -3.005 1.919) 3.690 1.457 ( -0.952 3.005 1.919) 3.690 1.505 ( -0.547 -1.862 0.013) 1.941 1.505 ( -0.547 1.862 0.013) 1.941 1.620 ( -2.672 -1.072 -0.377) 2.903 1.620 ( -2.672 1.072 -0.377) 2.903 1.652 ( -2.479 -1.463 0.715) 2.966 1.652 ( -2.479 1.463 0.715) 2.966 1.728 ( -1.359 -1.685 -2.042) 2.976 1.728 ( -1.359 1.685 -2.042) 2.976 1.786 ( 0.886 -1.341 -1.284) 2.057 1.786 ( 0.886 1.341 -1.284) 2.057 1.868 ( 1.581 -0.593 1.320) 2.144 1.868 ( 1.581 0.593 1.320) 2.144 1.929 ( 0.495 -2.175 -2.260) 3.176 1.929 ( 0.495 2.175 -2.260) 3.176 1.987 ( -0.691 -1.480 -1.343) 2.115 1.987 ( -0.691 1.480 -1.343) 2.115 2.018 ( -0.202 -2.996 -0.123) 3.006 2.018 ( -0.202 2.996 -0.123) 3.006 2.125 ( 1.431 -2.355 -0.857) 2.886 2.125 ( 1.431 2.355 -0.857) 2.886 2.194 ( -1.349 -5.138 0.851) 5.380 2.194 ( -1.349 5.138 0.851) 5.380 2.300 ( -1.199 -1.551 -2.556) 3.221 2.300 ( -1.199 1.551 -2.556) 3.221 2.410 ( 1.194 -1.720 -0.174) 2.101 2.410 ( 1.194 1.720 -0.174) 2.101 2.488 ( -0.425 -0.576 -2.976) 3.061 2.488 ( -0.425 0.576 -2.976) 3.061 2.548 ( -1.057 -2.067 -0.278) 2.338 2.548 ( -1.057 2.067 -0.278) 2.338 2.629 ( 1.242 -1.673 -0.824) 2.241 2.629 ( 1.242 1.673 -0.824) 2.241 2.754 ( 1.602 -1.823 -1.621) 2.919 2.754 ( 1.602 1.823 -1.621) 2.919 2.943 ( -1.512 -3.319 3.406) 4.990 2.943 ( -1.512 3.319 3.406) 4.990 3.069 ( -1.475 -3.198 3.062) 4.667 3.069 ( -1.475 3.198 3.062) 4.667 3.437 ( -0.668 -1.027 -0.805) 1.466 3.437 ( -0.668 1.027 -0.805) 1.466 3.447 ( 0.165 -1.162 -0.894) 1.475 3.447 ( 0.165 1.162 -0.894) 1.475 3.571 ( -0.374 -0.702 0.125) 0.805 3.571 ( -0.374 0.702 0.125) 0.805 3.700 ( -0.584 -0.814 0.176) 1.017 3.700 ( -0.584 0.814 0.176) 1.017 3.776 ( 1.259 -2.637 1.031) 3.098 3.776 ( 1.259 2.637 1.031) 3.098 3.913 ( -0.368 -1.650 -0.475) 1.756 3.913 ( -0.368 1.650 -0.475) 1.756 3.983 ( 3.497 -0.478 1.828) 3.975 3.983 ( 3.497 0.478 1.828) 3.975 4.272 ( 0.482 -4.160 -0.422) 4.209 4.272 ( 0.482 4.160 -0.422) 4.209 5.503 ( 1.479 -0.872 -0.011) 1.717 5.503 ( 1.479 0.872 -0.011) 1.717 5.615 ( -0.427 -1.787 -0.836) 2.018 5.615 ( -0.427 1.787 -0.836) 2.018 5.645 ( 0.782 -1.447 0.870) 1.861 5.645 ( 0.782 1.447 0.870) 1.861 5.753 ( -1.136 -0.621 -0.973) 1.620 5.753 ( -1.136 0.621 -0.973) 1.620 5.792 ( -1.868 -1.465 -0.893) 2.536 5.792 ( -1.868 1.465 -0.893) 2.536 ======================= Grid point 51 (27/60) ======================= q-point: ( 0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 3.869 -1.956 0.258) 4.343 0.591 ( 3.869 1.956 0.258) 4.343 0.713 ( -1.649 -2.407 1.625) 3.340 0.713 ( -1.649 2.407 1.625) 3.340 0.806 ( -0.010 -2.129 0.529) 2.194 0.806 ( -0.010 2.129 0.529) 2.194 0.884 ( 2.053 -3.129 0.881) 3.845 0.884 ( 2.053 3.129 0.881) 3.845 0.951 ( 1.457 -3.268 -0.889) 3.686 0.951 ( 1.457 3.268 -0.889) 3.686 1.026 ( -4.602 -0.804 -0.178) 4.676 1.026 ( -4.602 0.804 -0.178) 4.676 1.156 ( 1.929 -1.588 2.366) 3.441 1.156 ( 1.929 1.588 2.366) 3.441 1.199 ( 2.896 -2.731 3.126) 5.062 1.199 ( 2.896 2.731 3.126) 5.062 1.314 ( 1.632 -1.748 -1.492) 2.819 1.314 ( 1.632 1.748 -1.492) 2.819 1.407 ( -3.690 -1.072 -1.349) 4.073 1.407 ( -3.690 1.072 -1.349) 4.073 1.490 ( -1.680 -1.970 0.131) 2.592 1.490 ( -1.680 1.970 0.131) 2.592 1.567 ( -4.806 -2.342 -1.705) 5.611 1.567 ( -4.806 2.342 -1.705) 5.611 1.614 ( -1.018 -0.252 0.646) 1.232 1.614 ( -1.018 0.252 0.646) 1.232 1.736 ( 2.994 -1.923 3.632) 5.085 1.736 ( 2.994 1.923 3.632) 5.085 1.798 ( 0.106 -1.483 0.097) 1.490 1.798 ( 0.106 1.483 0.097) 1.490 1.887 ( -0.990 -1.567 0.658) 1.967 1.887 ( -0.990 1.567 0.658) 1.967 1.929 ( 1.547 -1.483 -1.792) 2.793 1.929 ( 1.547 1.483 -1.792) 2.793 1.990 ( 1.091 -1.339 1.433) 2.244 1.990 ( 1.091 1.339 1.433) 2.244 2.029 ( 1.643 -4.740 -0.972) 5.110 2.029 ( 1.643 4.740 -0.972) 5.110 2.120 ( -1.251 -3.056 -1.016) 3.455 2.120 ( -1.251 3.056 -1.016) 3.455 2.183 ( 1.074 -2.350 -0.129) 2.587 2.183 ( 1.074 2.350 -0.129) 2.587 2.271 ( -0.534 -0.735 -1.119) 1.442 2.271 ( -0.534 0.735 -1.119) 1.442 2.427 ( 0.314 -2.637 0.483) 2.699 2.427 ( 0.314 2.637 0.483) 2.699 2.467 ( -0.369 -1.515 -0.718) 1.717 2.467 ( -0.369 1.515 -0.718) 1.717 2.523 ( -0.696 -1.753 -0.815) 2.055 2.523 ( -0.696 1.753 -0.815) 2.055 2.648 ( 1.247 -2.563 -0.549) 2.903 2.648 ( 1.247 2.563 -0.549) 2.903 2.771 ( 2.112 -2.208 -2.488) 3.941 2.771 ( 2.112 2.208 -2.488) 3.941 2.933 ( -2.596 -3.393 3.227) 5.354 2.933 ( -2.596 3.393 3.227) 5.354 3.050 ( -2.200 -3.467 0.771) 4.178 3.050 ( -2.200 3.467 0.771) 4.178 3.425 ( -0.533 -0.742 1.370) 1.647 3.425 ( -0.533 0.742 1.370) 1.647 3.469 ( 1.963 -1.339 -0.080) 2.377 3.469 ( 1.963 1.339 -0.080) 2.377 3.564 ( -0.232 -0.669 -0.018) 0.708 3.564 ( -0.232 0.669 -0.018) 0.708 3.688 ( -0.729 -1.042 -0.753) 1.478 3.688 ( -0.729 1.042 -0.753) 1.478 3.800 ( 0.495 -2.003 0.954) 2.273 3.800 ( 0.495 2.003 0.954) 2.273 3.901 ( -0.128 -1.211 -0.848) 1.484 3.901 ( -0.128 1.211 -0.848) 1.484 4.024 ( 1.270 -1.805 -2.035) 3.002 4.024 ( 1.270 1.805 -2.035) 3.002 4.282 ( 0.290 -4.985 0.900) 5.074 4.282 ( 0.290 4.985 0.900) 5.074 5.529 ( 1.138 -2.038 -0.069) 2.335 5.529 ( 1.138 2.038 -0.069) 2.335 5.591 ( -0.312 -1.613 -1.345) 2.124 5.591 ( -0.312 1.613 -1.345) 2.124 5.674 ( 0.812 -0.921 0.335) 1.273 5.674 ( 0.812 0.921 0.335) 1.273 5.708 ( -1.821 -0.888 0.199) 2.036 5.708 ( -1.821 0.888 0.199) 2.036 5.784 ( 0.122 -0.164 0.008) 0.205 5.784 ( 0.122 0.164 0.008) 0.205 ======================= Grid point 53 (28/60) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( -0.713 -1.140 -1.829) 2.270 0.611 ( -0.713 1.140 -1.829) 2.270 0.693 ( -0.181 -3.695 -0.090) 3.700 0.693 ( -0.181 3.695 -0.090) 3.700 0.813 ( -4.019 -1.829 -3.754) 5.796 0.813 ( -4.019 1.829 -3.754) 5.796 0.842 ( 0.406 -1.994 0.438) 2.081 0.842 ( 0.406 1.994 0.438) 2.081 0.943 ( -2.622 -1.033 -0.510) 2.864 0.943 ( -2.622 1.033 -0.510) 2.864 1.038 ( 2.543 -1.697 2.679) 4.065 1.038 ( 2.543 1.697 2.679) 4.065 1.203 ( 0.156 -2.276 2.160) 3.142 1.203 ( 0.156 2.276 2.160) 3.142 1.239 ( -2.242 -0.502 3.319) 4.037 1.239 ( -2.242 0.502 3.319) 4.037 1.320 ( 0.088 -1.131 -1.298) 1.724 1.320 ( 0.088 1.131 -1.298) 1.724 1.370 ( 2.328 -1.074 -0.917) 2.723 1.370 ( 2.328 1.074 -0.917) 2.723 1.444 ( -2.179 -1.000 -1.714) 2.947 1.444 ( -2.179 1.000 -1.714) 2.947 1.498 ( 0.025 -3.034 -1.236) 3.276 1.498 ( 0.025 3.034 -1.236) 3.276 1.611 ( -0.325 -3.103 1.610) 3.511 1.611 ( -0.325 3.103 1.610) 3.511 1.775 ( -0.232 -1.293 -2.308) 2.656 1.775 ( -0.232 1.293 -2.308) 2.656 1.836 ( 0.779 -2.961 3.363) 4.548 1.836 ( 0.779 2.961 3.363) 4.548 1.864 ( -1.577 -0.055 -0.121) 1.583 1.864 ( -1.577 0.055 -0.121) 1.583 1.936 ( 0.880 -2.325 0.858) 2.630 1.936 ( 0.880 2.325 0.858) 2.630 2.019 ( 0.876 -1.888 -0.725) 2.204 2.019 ( 0.876 1.888 -0.725) 2.204 2.058 ( 1.396 -4.734 0.723) 4.989 2.058 ( 1.396 4.734 0.723) 4.989 2.100 ( -0.121 -2.383 1.676) 2.916 2.100 ( -0.121 2.383 1.676) 2.916 2.209 ( 0.861 -1.459 0.156) 1.701 2.209 ( 0.861 1.459 0.156) 1.701 2.274 ( 1.237 -2.225 0.519) 2.598 2.274 ( 1.237 2.225 0.519) 2.598 2.399 ( -1.795 -2.859 -1.708) 3.784 2.399 ( -1.795 2.859 -1.708) 3.784 2.486 ( 1.754 -0.629 1.322) 2.285 2.486 ( 1.754 0.629 1.322) 2.285 2.519 ( 0.377 -1.791 -0.162) 1.838 2.519 ( 0.377 1.791 -0.162) 1.838 2.659 ( 0.845 -3.149 -0.820) 3.362 2.659 ( 0.845 3.149 -0.820) 3.362 2.783 ( 1.910 -2.260 -2.746) 4.037 2.783 ( 1.910 2.260 -2.746) 4.037 2.916 ( -2.545 -2.831 3.405) 5.107 2.916 ( -2.545 2.831 3.405) 5.107 3.019 ( -1.151 -1.846 -0.535) 2.240 3.019 ( -1.151 1.846 -0.535) 2.240 3.439 ( 0.253 -0.682 2.101) 2.224 3.439 ( 0.253 0.682 2.101) 2.224 3.498 ( 0.443 -1.338 0.898) 1.672 3.498 ( 0.443 1.338 0.898) 1.672 3.567 ( 0.753 -0.788 0.048) 1.091 3.567 ( 0.753 0.788 0.048) 1.091 3.663 ( -0.761 -1.262 -1.408) 2.038 3.663 ( -0.761 1.262 -1.408) 2.038 3.809 ( -0.514 -0.635 0.893) 1.210 3.809 ( -0.514 0.635 0.893) 1.210 3.889 ( -0.334 -0.503 -1.764) 1.864 3.889 ( -0.334 0.503 -1.764) 1.864 4.004 ( -0.240 -2.317 -3.951) 4.586 4.004 ( -0.240 2.317 -3.951) 4.586 4.294 ( -0.264 -3.882 1.527) 4.180 4.294 ( -0.264 3.882 1.527) 4.180 5.527 ( -0.407 -0.164 -1.162) 1.242 5.527 ( -0.407 0.164 -1.162) 1.242 5.598 ( 1.256 -1.224 -0.108) 1.757 5.598 ( 1.256 1.224 -0.108) 1.757 5.650 ( -1.298 -1.213 -1.410) 2.268 5.650 ( -1.298 1.213 -1.410) 2.268 5.727 ( 1.340 -0.595 2.226) 2.665 5.727 ( 1.340 0.595 2.226) 2.665 5.784 ( -0.110 -0.467 -0.062) 0.484 5.784 ( -0.110 0.467 -0.062) 0.484 ======================= Grid point 55 (29/60) ======================= q-point: (-0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -3.343 -2.743 -3.571) 5.609 0.561 ( -3.343 2.743 -3.571) 5.609 0.617 ( -6.858 -4.383 -1.963) 8.372 0.617 ( -6.858 4.383 -1.963) 8.372 0.722 ( -3.048 -3.377 2.527) 5.204 0.722 ( -3.048 3.377 2.527) 5.204 0.854 ( 0.529 -2.057 -2.957) 3.641 0.854 ( 0.529 2.057 -2.957) 3.641 0.942 ( 1.403 -1.951 2.437) 3.423 0.942 ( 1.403 1.951 2.437) 3.423 1.033 ( -3.845 -2.088 1.490) 4.622 1.033 ( -3.845 2.088 1.490) 4.622 1.190 ( -2.856 -2.351 0.595) 3.746 1.190 ( -2.856 2.351 0.595) 3.746 1.257 ( -1.696 -1.596 2.760) 3.612 1.257 ( -1.696 1.596 2.760) 3.612 1.305 ( 2.434 -2.087 2.652) 4.161 1.305 ( 2.434 2.087 2.652) 4.161 1.392 ( 1.859 -1.224 -3.389) 4.055 1.392 ( 1.859 1.224 -3.389) 4.055 1.455 ( 2.471 -3.577 -0.149) 4.350 1.455 ( 2.471 3.577 -0.149) 4.350 1.536 ( 3.424 -2.900 0.291) 4.497 1.536 ( 3.424 2.900 0.291) 4.497 1.623 ( 0.801 -2.491 -0.323) 2.637 1.623 ( 0.801 2.491 -0.323) 2.637 1.714 ( -1.762 -2.569 -4.949) 5.848 1.714 ( -1.762 2.569 -4.949) 5.848 1.829 ( -0.508 -1.653 1.474) 2.273 1.829 ( -0.508 1.653 1.474) 2.273 1.885 ( 0.958 -1.797 2.019) 2.868 1.885 ( 0.958 1.797 2.019) 2.868 1.954 ( -0.027 -3.275 0.323) 3.292 1.954 ( -0.027 3.275 0.323) 3.292 2.018 ( 0.002 -1.194 -0.470) 1.284 2.018 ( 0.002 1.194 -0.470) 1.284 2.084 ( 0.389 -5.638 0.748) 5.701 2.084 ( 0.389 5.638 0.748) 5.701 2.132 ( 0.238 -4.134 3.035) 5.134 2.132 ( 0.238 4.134 3.035) 5.134 2.209 ( -1.841 -2.070 1.011) 2.949 2.209 ( -1.841 2.070 1.011) 2.949 2.293 ( 1.608 -0.886 -0.838) 2.018 2.293 ( 1.608 0.886 -0.838) 2.018 2.381 ( 1.203 -1.106 -1.385) 2.143 2.381 ( 1.203 1.106 -1.385) 2.143 2.520 ( 0.130 -1.636 -0.777) 1.816 2.520 ( 0.130 1.636 -0.777) 1.816 2.529 ( 1.497 -0.710 1.074) 1.975 2.529 ( 1.497 0.710 1.074) 1.975 2.675 ( 1.741 -3.686 -0.224) 4.082 2.675 ( 1.741 3.686 -0.224) 4.082 2.789 ( 1.480 -2.363 -3.105) 4.173 2.789 ( 1.480 2.363 -3.105) 4.173 2.904 ( -2.046 -2.647 3.394) 4.766 2.904 ( -2.046 2.647 3.394) 4.766 3.000 ( -0.817 -1.458 -0.097) 1.674 3.000 ( -0.817 1.458 -0.097) 1.674 3.466 ( 0.575 -0.742 2.248) 2.436 3.466 ( 0.575 0.742 2.248) 2.436 3.495 ( -0.800 -1.643 0.094) 1.829 3.495 ( -0.800 1.643 0.094) 1.829 3.590 ( 0.999 -1.549 0.341) 1.875 3.590 ( 0.999 1.549 0.341) 1.875 3.647 ( -0.106 -1.350 -0.256) 1.378 3.647 ( -0.106 1.350 -0.256) 1.378 3.798 ( -1.263 -0.552 0.578) 1.495 3.798 ( -1.263 0.552 0.578) 1.495 3.851 ( -0.975 -0.505 -4.073) 4.218 3.851 ( -0.975 0.505 -4.073) 4.218 3.962 ( -1.160 -2.055 -1.949) 3.061 3.962 ( -1.160 2.055 -1.949) 3.061 4.296 ( -0.733 -2.578 1.017) 2.866 4.296 ( -0.733 2.578 1.017) 2.866 5.509 ( -0.583 -0.909 -0.769) 1.326 5.509 ( -0.583 0.909 -0.769) 1.326 5.599 ( -0.253 -0.127 -1.946) 1.967 5.599 ( -0.253 0.127 -1.946) 1.967 5.640 ( 0.564 -3.743 0.599) 3.832 5.640 ( 0.564 3.743 0.599) 3.832 5.769 ( 0.410 -0.612 0.381) 0.830 5.769 ( 0.410 0.612 0.381) 0.830 5.790 ( 1.970 -1.004 1.479) 2.661 5.790 ( 1.970 1.004 1.479) 2.661 ======================= Grid point 57 (30/60) ======================= q-point: (-0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( -3.489 -8.695 -0.773) 9.401 0.458 ( -3.489 8.695 -0.773) 9.401 0.514 ( -5.301 -8.367 4.441) 10.855 0.514 ( -5.301 8.367 4.441) 10.855 0.723 ( -0.914 -4.798 5.361) 7.252 0.723 ( -0.914 4.798 5.361) 7.252 0.858 ( 2.107 -5.296 -0.535) 5.725 0.858 ( 2.107 5.296 -0.535) 5.725 0.935 ( -3.810 -3.926 -1.321) 5.628 0.935 ( -3.810 3.926 -1.321) 5.628 1.005 ( -0.375 -2.090 3.141) 3.791 1.005 ( -0.375 2.090 3.141) 3.791 1.134 ( -1.632 -1.828 -1.551) 2.900 1.134 ( -1.632 1.828 -1.551) 2.900 1.247 ( -2.311 -3.193 1.684) 4.287 1.247 ( -2.311 3.193 1.684) 4.287 1.363 ( -1.135 -1.352 -2.281) 2.884 1.363 ( -1.135 1.352 -2.281) 2.884 1.406 ( 2.481 -1.290 0.905) 2.939 1.406 ( 2.481 1.290 0.905) 2.939 1.482 ( 2.590 -3.272 -0.819) 4.253 1.482 ( 2.590 3.272 -0.819) 4.253 1.596 ( 2.986 -2.756 -0.675) 4.119 1.596 ( 2.986 2.756 -0.675) 4.119 1.622 ( 2.346 -2.364 -1.743) 3.759 1.622 ( 2.346 2.364 -1.743) 3.759 1.709 ( 2.346 -1.694 0.175) 2.899 1.709 ( 2.346 1.694 0.175) 2.899 1.830 ( -0.700 -2.069 0.124) 2.187 1.830 ( -0.700 2.069 0.124) 2.187 1.905 ( -1.126 -2.309 0.663) 2.654 1.905 ( -1.126 2.309 0.663) 2.654 1.965 ( 0.214 -1.604 1.819) 2.435 1.965 ( 0.214 1.604 1.819) 2.435 2.007 ( -0.362 -1.342 -1.780) 2.258 2.007 ( -0.362 1.342 -1.780) 2.258 2.069 ( -1.668 -3.945 -0.313) 4.295 2.069 ( -1.668 3.945 -0.313) 4.295 2.140 ( -0.252 -4.941 0.096) 4.949 2.140 ( -0.252 4.941 0.096) 4.949 2.175 ( -2.461 -2.505 1.213) 3.715 2.175 ( -2.461 2.505 1.213) 3.715 2.329 ( 2.535 -1.975 -0.682) 3.285 2.329 ( 2.535 1.975 -0.682) 3.285 2.392 ( 0.677 -0.516 -1.066) 1.364 2.392 ( 0.677 0.516 -1.066) 1.364 2.517 ( 0.986 -2.010 -1.564) 2.731 2.517 ( 0.986 2.010 -1.564) 2.731 2.553 ( 0.740 -0.518 0.194) 0.924 2.553 ( 0.740 0.518 0.194) 0.924 2.696 ( 0.301 -2.615 -1.887) 3.239 2.696 ( 0.301 2.615 -1.887) 3.239 2.779 ( 0.646 -2.033 -4.042) 4.571 2.779 ( 0.646 2.033 -4.042) 4.571 2.904 ( -1.098 -2.606 3.263) 4.318 2.904 ( -1.098 2.606 3.263) 4.318 3.001 ( 0.065 -1.485 3.212) 3.540 3.001 ( 0.065 1.485 3.212) 3.540 3.476 ( -0.724 -0.883 -0.057) 1.143 3.476 ( -0.724 0.883 -0.057) 1.143 3.497 ( 0.339 -0.530 0.853) 1.060 3.497 ( 0.339 0.530 0.853) 1.060 3.586 ( -0.879 -1.350 -1.607) 2.275 3.586 ( -0.879 1.350 -1.607) 2.275 3.655 ( 0.404 -0.756 1.814) 2.007 3.655 ( 0.404 0.756 1.814) 2.007 3.790 ( -0.716 -1.622 2.021) 2.688 3.790 ( -0.716 1.622 2.021) 2.688 3.807 ( 0.458 -0.975 -3.189) 3.366 3.807 ( 0.458 0.975 -3.189) 3.366 3.937 ( -0.744 -0.882 0.100) 1.159 3.937 ( -0.744 0.882 0.100) 1.159 4.285 ( -1.040 -1.137 0.264) 1.563 4.285 ( -1.040 1.137 0.264) 1.563 5.493 ( -0.799 -1.509 -0.080) 1.709 5.493 ( -0.799 1.509 -0.080) 1.709 5.585 ( 1.099 -1.401 -2.128) 2.775 5.585 ( 1.099 1.401 -2.128) 2.775 5.653 ( -0.163 -2.477 1.090) 2.711 5.653 ( -0.163 2.477 1.090) 2.711 5.763 ( -0.435 -1.139 -0.131) 1.227 5.763 ( -0.435 1.139 -0.131) 1.227 5.853 ( 2.823 -0.852 0.032) 2.949 5.853 ( 2.823 0.852 0.032) 2.949 ======================= Grid point 65 (31/60) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 1.025 0.000 9.143) 9.201 0.499 ( -3.557 0.000 8.275) 9.007 0.661 ( 0.077 0.000 1.615) 1.616 0.743 ( 5.289 0.000 0.886) 5.363 0.797 ( -4.233 0.000 -1.890) 4.636 0.844 ( 4.471 0.000 4.086) 6.057 0.885 ( -0.115 0.000 -4.192) 4.194 0.912 ( 0.410 0.000 3.075) 3.102 0.949 ( 2.565 0.000 0.301) 2.583 1.009 ( -2.450 0.000 6.996) 7.412 1.049 ( -2.092 0.000 5.748) 6.117 1.092 ( 2.836 0.000 7.754) 8.256 1.123 ( 2.097 0.000 -1.847) 2.794 1.135 ( -0.984 0.000 4.960) 5.056 1.238 ( -3.099 0.000 2.219) 3.812 1.256 ( -0.830 0.000 -1.468) 1.687 1.299 ( -0.927 0.000 -0.952) 1.328 1.374 ( -3.473 0.000 1.704) 3.868 1.377 ( -1.383 0.000 -1.343) 1.928 1.383 ( 0.155 0.000 -1.770) 1.777 1.440 ( 1.725 0.000 -4.327) 4.658 1.564 ( 1.105 0.000 -2.826) 3.034 1.616 ( -5.127 0.000 -2.135) 5.554 1.629 ( 0.884 0.000 4.661) 4.745 1.666 ( 3.986 0.000 3.066) 5.029 1.696 ( -0.528 0.000 4.374) 4.406 1.726 ( -2.642 0.000 1.062) 2.847 1.727 ( -0.356 0.000 -7.811) 7.819 1.761 ( 2.139 0.000 1.693) 2.727 1.796 ( 1.098 0.000 0.451) 1.187 1.842 ( -2.590 0.000 -0.328) 2.611 1.861 ( 0.811 0.000 -2.699) 2.819 1.882 ( -1.048 0.000 1.294) 1.666 1.889 ( 3.724 0.000 -0.093) 3.725 1.959 ( -0.794 0.000 -3.072) 3.173 1.974 ( -1.347 0.000 -2.015) 2.423 1.993 ( -2.505 0.000 -1.901) 3.145 2.033 ( 1.668 0.000 -3.729) 4.085 2.087 ( -2.070 0.000 1.245) 2.416 2.165 ( -0.469 0.000 -2.498) 2.542 2.169 ( -1.419 0.000 -0.347) 1.461 2.234 ( -0.680 0.000 -2.939) 3.016 2.256 ( 2.551 0.000 1.640) 3.033 2.327 ( -1.929 0.000 -1.069) 2.205 2.427 ( -0.023 0.000 -1.179) 1.180 2.434 ( -1.097 0.000 1.867) 2.165 2.471 ( 3.014 0.000 1.736) 3.479 2.500 ( -0.346 0.000 -1.343) 1.387 2.501 ( 1.425 0.000 -0.985) 1.732 2.526 ( -0.178 0.000 -1.750) 1.759 2.590 ( 1.866 0.000 -1.307) 2.279 2.605 ( -0.096 0.000 -0.823) 0.828 2.723 ( 0.532 0.000 1.501) 1.593 2.747 ( 0.219 0.000 -0.366) 0.427 2.890 ( -0.660 0.000 1.767) 1.886 2.964 ( -2.793 0.000 -0.498) 2.838 3.103 ( -1.148 0.000 4.467) 4.613 3.147 ( 2.214 0.000 2.345) 3.225 3.404 ( -2.005 0.000 -1.664) 2.605 3.424 ( 1.059 0.000 -2.359) 2.586 3.489 ( -0.359 0.000 2.784) 2.807 3.533 ( -0.125 0.000 -0.539) 0.553 3.541 ( -2.115 0.000 1.618) 2.663 3.595 ( 0.216 0.000 0.609) 0.646 3.630 ( -0.724 0.000 -1.028) 1.258 3.670 ( 0.174 0.000 -2.129) 2.136 3.764 ( -0.128 0.000 2.572) 2.575 3.833 ( 2.392 0.000 -1.767) 2.974 3.888 ( -0.396 0.000 3.431) 3.454 3.912 ( 2.058 0.000 1.120) 2.343 3.959 ( 2.086 0.000 1.294) 2.455 4.022 ( 0.183 0.000 -4.211) 4.215 4.226 ( -2.200 0.000 -0.353) 2.228 4.314 ( 5.644 0.000 -3.589) 6.688 5.480 ( 2.544 0.000 0.615) 2.617 5.488 ( -3.028 0.000 -0.446) 3.061 5.560 ( 1.382 0.000 0.883) 1.640 5.613 ( 2.966 0.000 -0.850) 3.085 5.653 ( -0.462 0.000 0.805) 0.928 5.697 ( -6.174 0.000 -1.021) 6.258 5.722 ( -0.166 0.000 0.711) 0.730 5.767 ( -1.113 0.000 -1.052) 1.531 5.768 ( 0.274 0.000 0.975) 1.013 5.798 ( 0.708 0.000 -1.313) 1.492 ======================= Grid point 66 (32/60) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 3.652 0.000 4.618) 5.887 0.604 ( 4.388 0.000 5.360) 6.927 0.661 ( -1.592 0.000 2.313) 2.808 0.778 ( 2.733 0.000 0.651) 2.810 0.795 ( -0.332 0.000 -4.630) 4.642 0.866 ( 2.103 0.000 -0.934) 2.301 0.900 ( -2.526 0.000 -3.608) 4.404 0.935 ( -2.403 0.000 0.256) 2.416 0.947 ( 0.174 0.000 0.221) 0.281 1.030 ( 6.735 0.000 7.065) 9.761 1.035 ( -1.617 0.000 0.191) 1.628 1.135 ( -1.239 0.000 0.613) 1.382 1.165 ( -1.692 0.000 -0.489) 1.761 1.179 ( -5.047 0.000 -1.699) 5.326 1.229 ( -1.547 0.000 5.002) 5.235 1.233 ( 1.195 0.000 8.401) 8.485 1.271 ( -2.134 0.000 2.457) 3.254 1.316 ( -1.619 0.000 -2.650) 3.105 1.343 ( 0.843 0.000 -2.152) 2.312 1.416 ( 2.710 0.000 1.323) 3.015 1.466 ( -4.921 0.000 -2.539) 5.537 1.472 ( 0.061 0.000 1.066) 1.068 1.582 ( -1.996 0.000 -1.195) 2.327 1.660 ( -0.707 0.000 3.897) 3.961 1.668 ( 0.525 0.000 1.712) 1.791 1.677 ( -1.201 0.000 -0.011) 1.201 1.722 ( -2.120 0.000 0.449) 2.167 1.748 ( -4.652 0.000 -2.120) 5.113 1.767 ( -0.798 0.000 -1.992) 2.146 1.779 ( 3.929 0.000 1.114) 4.084 1.830 ( 1.396 0.000 3.888) 4.131 1.862 ( 1.648 0.000 -3.689) 4.040 1.881 ( -4.276 0.000 -1.735) 4.615 1.921 ( 0.912 0.000 0.927) 1.300 1.924 ( 3.538 0.000 3.475) 4.959 1.953 ( -0.582 0.000 -3.052) 3.107 1.975 ( 2.531 0.000 -0.590) 2.599 2.060 ( 3.344 0.000 -3.393) 4.764 2.071 ( -0.601 0.000 1.668) 1.773 2.160 ( 1.081 0.000 -1.102) 1.544 2.175 ( 1.502 0.000 1.379) 2.040 2.198 ( -0.068 0.000 -2.682) 2.683 2.284 ( -1.400 0.000 -1.854) 2.324 2.321 ( 2.936 0.000 1.527) 3.309 2.422 ( -1.738 0.000 0.738) 1.888 2.432 ( 1.104 0.000 -0.148) 1.114 2.467 ( -1.772 0.000 -1.415) 2.268 2.511 ( 0.591 0.000 -0.970) 1.136 2.514 ( 0.450 0.000 -1.781) 1.837 2.535 ( 2.751 0.000 1.322) 3.052 2.586 ( -0.998 0.000 -1.125) 1.504 2.616 ( 2.099 0.000 -1.628) 2.657 2.736 ( -0.931 0.000 -0.738) 1.189 2.749 ( 1.253 0.000 0.398) 1.314 2.889 ( -1.175 0.000 2.002) 2.321 2.916 ( -2.726 0.000 1.073) 2.929 3.085 ( -3.713 0.000 2.575) 4.518 3.164 ( -2.086 0.000 0.128) 2.090 3.395 ( 1.667 0.000 0.265) 1.687 3.458 ( 4.130 0.000 -1.333) 4.340 3.495 ( -1.359 0.000 2.006) 2.423 3.520 ( -1.027 0.000 -0.121) 1.034 3.524 ( -1.619 0.000 2.998) 3.407 3.596 ( 0.087 0.000 -0.523) 0.530 3.619 ( -0.402 0.000 0.334) 0.523 3.658 ( 0.668 0.000 -1.904) 2.018 3.782 ( 0.127 0.000 2.032) 2.036 3.845 ( 1.392 0.000 -1.663) 2.169 3.882 ( -1.919 0.000 0.682) 2.037 3.946 ( 0.765 0.000 -0.186) 0.787 3.967 ( -2.060 0.000 -3.005) 3.643 4.000 ( 1.490 0.000 -1.719) 2.274 4.216 ( 0.899 0.000 2.011) 2.203 4.372 ( 4.517 0.000 -5.476) 7.099 5.444 ( -1.435 0.000 -0.078) 1.437 5.539 ( -0.617 0.000 1.012) 1.185 5.553 ( 1.423 0.000 -0.132) 1.429 5.601 ( -0.824 0.000 -2.622) 2.748 5.655 ( 0.917 0.000 1.600) 1.844 5.695 ( 1.591 0.000 2.608) 3.055 5.723 ( -0.724 0.000 1.182) 1.386 5.728 ( -2.075 0.000 -1.247) 2.421 5.781 ( 0.697 0.000 0.060) 0.700 5.792 ( -0.159 0.000 -0.907) 0.921 ======================= Grid point 67 (33/60) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( -0.730 0.000 0.278) 0.781 0.646 ( 1.972 0.000 -0.402) 2.013 0.741 ( -1.821 0.000 -6.855) 7.093 0.753 ( 0.473 0.000 5.963) 5.982 0.819 ( 1.803 0.000 -1.596) 2.408 0.848 ( 5.446 0.000 -0.379) 5.459 0.867 ( -0.665 0.000 -3.481) 3.544 0.897 ( -2.575 0.000 3.658) 4.473 0.914 ( -0.987 0.000 -0.548) 1.129 1.051 ( -3.199 0.000 -0.839) 3.307 1.087 ( 0.746 0.000 -2.424) 2.536 1.109 ( 3.764 0.000 2.621) 4.587 1.149 ( -2.277 0.000 -1.352) 2.649 1.188 ( 0.301 0.000 -0.386) 0.489 1.256 ( -3.740 0.000 4.223) 5.641 1.262 ( -2.277 0.000 0.890) 2.445 1.272 ( 3.828 0.000 9.809) 10.530 1.290 ( 0.964 0.000 -0.958) 1.360 1.322 ( 0.639 0.000 -4.223) 4.271 1.381 ( -1.420 0.000 0.088) 1.422 1.450 ( -2.413 0.000 0.442) 2.453 1.457 ( -5.263 0.000 1.295) 5.420 1.517 ( -0.195 0.000 1.190) 1.206 1.600 ( -6.319 0.000 0.824) 6.372 1.647 ( -1.744 0.000 -5.303) 5.583 1.648 ( -4.279 0.000 2.326) 4.870 1.709 ( -0.936 0.000 -0.348) 0.998 1.746 ( 0.472 0.000 -2.532) 2.576 1.764 ( 3.880 0.000 4.475) 5.922 1.811 ( -1.972 0.000 0.189) 1.981 1.831 ( -0.100 0.000 -3.519) 3.521 1.858 ( 3.244 0.000 1.008) 3.397 1.896 ( -1.074 0.000 -2.040) 2.306 1.897 ( 2.678 0.000 1.215) 2.941 1.974 ( 2.722 0.000 0.930) 2.877 2.017 ( 0.307 0.000 3.712) 3.725 2.063 ( 4.833 0.000 5.917) 7.640 2.074 ( 1.119 0.000 -2.438) 2.683 2.101 ( 3.123 0.000 0.484) 3.160 2.160 ( 0.276 0.000 -1.178) 1.210 2.202 ( 1.968 0.000 -0.720) 2.095 2.225 ( 2.381 0.000 1.207) 2.669 2.248 ( -0.464 0.000 -2.132) 2.182 2.361 ( -1.028 0.000 -1.341) 1.690 2.393 ( -1.714 0.000 1.786) 2.475 2.426 ( -0.055 0.000 -0.523) 0.526 2.456 ( 1.327 0.000 0.401) 1.386 2.505 ( 0.019 0.000 -1.438) 1.438 2.506 ( -0.407 0.000 -0.744) 0.848 2.555 ( -1.444 0.000 -0.945) 1.726 2.583 ( 1.285 0.000 0.637) 1.434 2.633 ( 1.594 0.000 -1.864) 2.452 2.711 ( -0.856 0.000 -0.555) 1.020 2.769 ( 1.532 0.000 -1.477) 2.127 2.890 ( -0.596 0.000 2.097) 2.180 2.897 ( -0.935 0.000 2.080) 2.281 3.041 ( -2.952 0.000 1.796) 3.455 3.097 ( -3.971 0.000 -1.369) 4.200 3.439 ( 1.895 0.000 1.262) 2.277 3.494 ( -0.446 0.000 1.884) 1.936 3.497 ( -0.311 0.000 -1.003) 1.050 3.523 ( -1.623 0.000 2.376) 2.877 3.525 ( 3.597 0.000 -0.695) 3.664 3.589 ( -0.177 0.000 -1.070) 1.084 3.623 ( 0.198 0.000 1.783) 1.794 3.659 ( 0.430 0.000 -0.613) 0.749 3.803 ( 0.772 0.000 -1.294) 1.507 3.843 ( 0.198 0.000 -3.015) 3.022 3.854 ( -1.014 0.000 1.616) 1.908 3.904 ( -2.738 0.000 -1.853) 3.306 3.941 ( -0.928 0.000 -1.624) 1.871 3.991 ( 1.152 0.000 -2.880) 3.101 4.269 ( 1.327 0.000 3.254) 3.514 4.384 ( 1.802 0.000 -3.804) 4.209 5.440 ( 0.536 0.000 0.833) 0.991 5.495 ( -1.795 0.000 -0.733) 1.939 5.567 ( -0.042 0.000 -2.952) 2.953 5.617 ( 1.560 0.000 0.591) 1.668 5.671 ( 0.265 0.000 -2.038) 2.055 5.694 ( -2.318 0.000 1.243) 2.630 5.712 ( 1.129 0.000 2.521) 2.763 5.744 ( 0.154 0.000 2.168) 2.174 5.781 ( -0.146 0.000 -0.567) 0.585 5.793 ( 0.784 0.000 -0.182) 0.805 ======================= Grid point 68 (34/60) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( -6.705 0.000 -3.089) 7.382 0.586 ( -5.318 0.000 0.374) 5.331 0.703 ( 0.848 0.000 3.685) 3.781 0.731 ( -2.695 0.000 3.061) 4.078 0.791 ( -2.563 0.000 -1.350) 2.897 0.869 ( -0.534 0.000 -0.805) 0.966 0.900 ( 6.469 0.000 -2.021) 6.777 0.948 ( 0.088 0.000 3.480) 3.481 1.003 ( 1.449 0.000 -3.017) 3.347 1.016 ( -1.479 0.000 -0.666) 1.622 1.049 ( -0.527 0.000 -2.449) 2.505 1.098 ( 3.365 0.000 1.393) 3.642 1.141 ( 0.560 0.000 -4.831) 4.863 1.161 ( -8.395 0.000 1.338) 8.500 1.239 ( 3.508 0.000 3.697) 5.096 1.262 ( 0.683 0.000 4.083) 4.139 1.285 ( -5.295 0.000 2.304) 5.775 1.313 ( 2.609 0.000 0.578) 2.672 1.324 ( -3.318 0.000 1.068) 3.485 1.394 ( 0.636 0.000 -0.460) 0.785 1.432 ( 1.455 0.000 -0.968) 1.747 1.474 ( 2.841 0.000 5.673) 6.344 1.516 ( -4.067 0.000 1.973) 4.521 1.518 ( 0.048 0.000 -4.828) 4.828 1.579 ( 2.606 0.000 -1.500) 3.007 1.591 ( -3.629 0.000 1.865) 4.080 1.690 ( -1.019 0.000 -0.486) 1.129 1.729 ( 0.513 0.000 -3.362) 3.401 1.773 ( 0.644 0.000 -2.277) 2.367 1.775 ( -1.464 0.000 -1.076) 1.817 1.861 ( 0.116 0.000 -0.475) 0.489 1.917 ( 0.537 0.000 -1.231) 1.343 1.918 ( 0.707 0.000 1.881) 2.009 1.931 ( 2.561 0.000 5.573) 6.133 2.015 ( -1.718 0.000 0.303) 1.745 2.019 ( 0.349 0.000 -0.523) 0.628 2.080 ( 1.904 0.000 1.856) 2.659 2.140 ( -0.007 0.000 2.684) 2.684 2.156 ( 0.362 0.000 -1.191) 1.245 2.175 ( 3.411 0.000 -0.268) 3.421 2.231 ( 1.853 0.000 -0.128) 1.857 2.248 ( -1.683 0.000 -0.665) 1.810 2.260 ( 3.204 0.000 -0.339) 3.221 2.289 ( -2.668 0.000 -0.817) 2.790 2.398 ( 1.052 0.000 1.873) 2.148 2.459 ( -2.000 0.000 -1.402) 2.442 2.474 ( 2.759 0.000 1.330) 3.063 2.491 ( -0.035 0.000 -1.179) 1.179 2.495 ( 0.344 0.000 -0.301) 0.458 2.524 ( -1.022 0.000 -0.217) 1.044 2.587 ( -0.917 0.000 0.126) 0.926 2.638 ( 0.929 0.000 -2.296) 2.477 2.705 ( 0.627 0.000 -0.450) 0.771 2.774 ( 1.074 0.000 -3.183) 3.359 2.901 ( -0.611 0.000 2.035) 2.125 2.916 ( 0.626 0.000 2.813) 2.882 3.018 ( -1.331 0.000 1.550) 2.043 3.030 ( -1.990 0.000 -0.559) 2.067 3.474 ( 0.209 0.000 1.365) 1.380 3.491 ( 0.631 0.000 -0.486) 0.796 3.493 ( -0.898 0.000 1.181) 1.484 3.520 ( -0.126 0.000 1.882) 1.886 3.551 ( -0.373 0.000 -2.460) 2.488 3.595 ( 2.155 0.000 0.498) 2.212 3.663 ( 0.043 0.000 0.663) 0.665 3.664 ( 1.531 0.000 3.181) 3.530 3.760 ( -1.241 0.000 -4.892) 5.047 3.800 ( -0.908 0.000 -4.888) 4.972 3.842 ( -2.572 0.000 -0.868) 2.714 3.894 ( -1.267 0.000 -3.226) 3.466 3.897 ( 1.152 0.000 4.249) 4.403 3.991 ( 0.336 0.000 -1.605) 1.640 4.299 ( -0.667 0.000 2.613) 2.697 4.377 ( 0.364 0.000 -2.249) 2.279 5.468 ( -0.473 0.000 -0.837) 0.961 5.470 ( 1.698 0.000 1.052) 1.997 5.556 ( 1.497 0.000 -2.060) 2.547 5.578 ( -2.940 0.000 -1.651) 3.372 5.657 ( -2.701 0.000 0.697) 2.789 5.708 ( 3.389 0.000 -0.988) 3.530 5.751 ( -0.838 0.000 1.348) 1.587 5.761 ( 1.556 0.000 2.948) 3.334 5.782 ( 0.680 0.000 -0.447) 0.814 5.798 ( -0.387 0.000 0.007) 0.387 ======================= Grid point 69 (35/60) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( -6.374 0.000 8.273) 10.444 0.484 ( -7.650 0.000 5.527) 9.437 0.720 ( -2.141 0.000 1.009) 2.367 0.752 ( -0.948 0.000 0.326) 1.002 0.767 ( -2.432 0.000 8.849) 9.177 0.842 ( -1.499 0.000 -1.564) 2.166 0.886 ( -1.330 0.000 -8.122) 8.230 0.911 ( -8.687 0.000 5.956) 10.533 0.938 ( -0.432 0.000 -3.697) 3.722 1.016 ( -3.495 0.000 2.153) 4.105 1.020 ( 4.502 0.000 -2.370) 5.088 1.066 ( -1.878 0.000 -4.213) 4.612 1.120 ( 2.002 0.000 1.908) 2.766 1.178 ( -2.947 0.000 -1.875) 3.493 1.272 ( -2.901 0.000 2.460) 3.803 1.278 ( -0.003 0.000 -0.268) 0.268 1.298 ( 5.395 0.000 2.544) 5.965 1.352 ( 3.156 0.000 4.310) 5.342 1.373 ( 3.230 0.000 1.981) 3.789 1.388 ( -0.589 0.000 0.851) 1.035 1.455 ( 0.429 0.000 -1.092) 1.174 1.457 ( 3.035 0.000 -3.671) 4.763 1.514 ( 1.718 0.000 2.101) 2.714 1.558 ( -1.324 0.000 0.288) 1.355 1.598 ( 3.910 0.000 1.698) 4.263 1.655 ( -1.852 0.000 -0.978) 2.094 1.671 ( 4.322 0.000 2.808) 5.154 1.719 ( 1.450 0.000 -2.281) 2.703 1.753 ( 0.657 0.000 -2.036) 2.139 1.776 ( 1.543 0.000 -1.630) 2.244 1.852 ( -1.261 0.000 -0.115) 1.266 1.874 ( -2.453 0.000 0.096) 2.455 1.949 ( 0.461 0.000 0.657) 0.802 1.968 ( -1.105 0.000 -2.295) 2.547 1.998 ( -0.108 0.000 -0.201) 0.228 2.011 ( 0.544 0.000 2.438) 2.498 2.113 ( -3.339 0.000 -2.513) 4.179 2.115 ( -1.520 0.000 2.020) 2.528 2.173 ( -3.264 0.000 -1.230) 3.488 2.188 ( 2.773 0.000 1.007) 2.950 2.210 ( 1.179 0.000 -0.999) 1.545 2.260 ( -1.246 0.000 -1.964) 2.326 2.269 ( 1.533 0.000 0.160) 1.541 2.321 ( 3.254 0.000 0.194) 3.260 2.392 ( -2.928 0.000 -0.706) 3.012 2.430 ( -0.273 0.000 2.193) 2.210 2.470 ( -1.786 0.000 -0.826) 1.968 2.488 ( 1.105 0.000 -0.235) 1.130 2.522 ( 1.373 0.000 0.131) 1.380 2.529 ( 0.714 0.000 -2.180) 2.294 2.578 ( 0.169 0.000 1.443) 1.453 2.625 ( 0.089 0.000 -2.871) 2.872 2.718 ( 1.113 0.000 -0.317) 1.157 2.746 ( -0.869 0.000 -3.190) 3.306 2.894 ( -1.393 0.000 1.107) 1.779 2.964 ( 2.053 0.000 2.957) 3.600 3.020 ( 0.042 0.000 1.198) 1.198 3.029 ( 1.100 0.000 1.545) 1.896 3.464 ( -0.733 0.000 0.577) 0.933 3.503 ( -1.017 0.000 -1.705) 1.985 3.517 ( 1.042 0.000 -0.477) 1.146 3.519 ( 0.680 0.000 1.905) 2.022 3.526 ( -1.247 0.000 1.565) 2.001 3.607 ( -0.593 0.000 -4.060) 4.103 3.676 ( 0.259 0.000 2.737) 2.749 3.699 ( -0.196 0.000 0.546) 0.580 3.721 ( -0.041 0.000 -0.198) 0.203 3.745 ( 0.047 0.000 -4.177) 4.178 3.806 ( -1.112 0.000 1.232) 1.659 3.870 ( 0.914 0.000 -0.245) 0.947 3.947 ( 0.895 0.000 3.403) 3.519 3.965 ( -1.252 0.000 -2.283) 2.604 4.296 ( -1.644 0.000 1.519) 2.238 4.353 ( -1.445 0.000 -1.609) 2.163 5.459 ( -0.271 0.000 -0.374) 0.462 5.508 ( 2.299 0.000 -0.267) 2.314 5.524 ( -1.102 0.000 -1.315) 1.716 5.585 ( 1.664 0.000 0.660) 1.790 5.614 ( -2.084 0.000 -0.058) 2.085 5.748 ( -0.557 0.000 1.264) 1.381 5.754 ( 2.791 0.000 -1.016) 2.970 5.777 ( -1.715 0.000 -0.446) 1.772 5.789 ( 0.604 0.000 -0.835) 1.031 5.812 ( 1.752 0.000 1.176) 2.110 ======================= Grid point 70 (36/60) ======================= q-point: (-0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( -5.292 0.000 10.201) 11.492 0.498 ( -3.759 0.000 12.443) 12.998 0.672 ( -1.758 0.000 -1.159) 2.106 0.703 ( -4.758 0.000 2.823) 5.533 0.796 ( -0.067 0.000 -2.140) 2.141 0.798 ( 1.945 0.000 9.765) 9.957 0.865 ( 1.920 0.000 -3.048) 3.603 0.876 ( 0.042 0.000 4.130) 4.130 0.946 ( -5.339 0.000 1.028) 5.437 0.962 ( -1.707 0.000 3.833) 4.196 1.018 ( -0.056 0.000 1.499) 1.500 1.075 ( 4.266 0.000 0.617) 4.310 1.123 ( -0.128 0.000 -2.502) 2.505 1.144 ( -3.464 0.000 -1.350) 3.718 1.239 ( -0.341 0.000 2.532) 2.555 1.277 ( -0.039 0.000 -2.000) 2.000 1.353 ( 2.629 0.000 -1.391) 2.975 1.353 ( -2.619 0.000 -1.167) 2.867 1.425 ( -0.242 0.000 0.824) 0.859 1.425 ( -3.746 0.000 1.207) 3.936 1.473 ( 1.164 0.000 -2.160) 2.453 1.516 ( 5.036 0.000 -0.975) 5.130 1.538 ( 4.590 0.000 1.828) 4.941 1.580 ( 1.322 0.000 2.616) 2.931 1.644 ( 0.373 0.000 2.409) 2.437 1.673 ( 3.439 0.000 1.268) 3.665 1.728 ( -1.124 0.000 -1.401) 1.796 1.752 ( 0.103 0.000 2.433) 2.435 1.761 ( 2.056 0.000 -1.541) 2.570 1.775 ( 2.491 0.000 -0.040) 2.491 1.845 ( 2.012 0.000 -0.288) 2.032 1.852 ( -1.761 0.000 -0.823) 1.944 1.911 ( -1.659 0.000 -3.886) 4.225 1.915 ( -2.926 0.000 -3.604) 4.642 1.999 ( -0.006 0.000 -1.320) 1.320 2.017 ( -2.649 0.000 -2.841) 3.884 2.038 ( -0.475 0.000 1.406) 1.484 2.075 ( -3.394 0.000 -1.054) 3.554 2.120 ( -2.334 0.000 -0.395) 2.367 2.198 ( -0.861 0.000 -1.580) 1.800 2.202 ( -0.267 0.000 -2.667) 2.680 2.229 ( -0.147 0.000 -0.441) 0.465 2.266 ( -0.791 0.000 -1.248) 1.477 2.354 ( -0.156 0.000 0.206) 0.259 2.402 ( 2.479 0.000 2.265) 3.358 2.433 ( -1.303 0.000 2.826) 3.112 2.442 ( -0.861 0.000 0.258) 0.898 2.501 ( 0.265 0.000 -3.983) 3.992 2.505 ( 1.106 0.000 -1.547) 1.902 2.534 ( 0.223 0.000 0.010) 0.223 2.595 ( -0.458 0.000 -2.487) 2.529 2.602 ( 0.866 0.000 0.148) 0.879 2.714 ( -0.673 0.000 0.156) 0.691 2.736 ( 0.987 0.000 0.063) 0.989 2.885 ( -0.553 0.000 1.209) 1.329 3.006 ( 0.268 0.000 -2.246) 2.262 3.051 ( 1.276 0.000 5.368) 5.517 3.080 ( 2.482 0.000 2.442) 3.482 3.454 ( -1.391 0.000 -2.595) 2.944 3.461 ( -1.293 0.000 0.314) 1.331 3.484 ( -1.861 0.000 -0.911) 2.072 3.542 ( 0.009 0.000 -1.040) 1.040 3.547 ( -0.570 0.000 2.760) 2.818 3.571 ( 1.163 0.000 0.264) 1.193 3.666 ( -1.426 0.000 -2.543) 2.915 3.685 ( -0.477 0.000 -0.466) 0.667 3.739 ( 0.546 0.000 2.242) 2.308 3.767 ( 3.589 0.000 0.956) 3.714 3.838 ( 1.343 0.000 4.587) 4.780 3.909 ( 1.583 0.000 1.428) 2.132 3.920 ( -0.758 0.000 -2.141) 2.271 3.999 ( 3.390 0.000 0.053) 3.390 4.269 ( -2.238 0.000 0.272) 2.255 4.302 ( -2.044 0.000 -1.221) 2.381 5.453 ( 0.313 0.000 -0.084) 0.324 5.525 ( 1.386 0.000 0.201) 1.400 5.545 ( -1.678 0.000 0.598) 1.781 5.559 ( 1.632 0.000 -1.288) 2.079 5.640 ( 1.598 0.000 1.179) 1.986 5.738 ( -1.776 0.000 -0.629) 1.885 5.755 ( -0.039 0.000 1.397) 1.397 5.783 ( 0.266 0.000 -0.403) 0.483 5.788 ( 1.309 0.000 -1.851) 2.268 5.810 ( -2.182 0.000 -2.782) 3.536 ======================= Grid point 71 (37/60) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( -1.388 1.450 7.617) 7.877 0.561 ( 0.485 3.699 8.867) 9.620 0.649 ( -2.811 0.323 1.469) 3.188 0.693 ( 3.259 -3.071 2.417) 5.088 0.739 ( 0.108 -4.360 -0.665) 4.412 0.865 ( 1.913 0.506 -0.949) 2.194 0.886 ( 1.888 -0.647 -1.290) 2.377 0.922 ( -0.240 0.764 4.724) 4.791 0.950 ( 1.090 1.320 -1.025) 1.996 1.023 ( -3.998 -0.144 0.166) 4.004 1.060 ( -1.205 0.366 9.575) 9.657 1.078 ( 1.331 -1.329 3.120) 3.643 1.102 ( 1.213 -0.642 1.678) 2.167 1.124 ( 3.163 -1.255 3.901) 5.177 1.208 ( -1.104 -2.889 -2.148) 3.765 1.231 ( -2.619 -0.150 1.286) 2.922 1.283 ( -1.178 -2.053 0.278) 2.383 1.312 ( -3.206 -3.223 1.622) 4.827 1.411 ( 1.692 2.866 -1.688) 3.732 1.426 ( -0.531 1.958 1.488) 2.516 1.478 ( 0.112 2.832 -3.257) 4.318 1.565 ( 2.453 -0.869 -1.666) 3.090 1.593 ( -0.827 -1.152 2.830) 3.165 1.649 ( -1.273 1.106 1.328) 2.146 1.677 ( 1.978 0.790 2.565) 3.334 1.687 ( -1.848 -1.922 -4.430) 5.171 1.715 ( 0.640 2.256 1.711) 2.902 1.741 ( -2.195 1.145 -0.667) 2.564 1.786 ( 1.729 0.976 1.741) 2.641 1.793 ( 1.332 -1.098 -1.108) 2.051 1.842 ( -2.101 -1.476 0.321) 2.587 1.854 ( 0.075 -0.423 0.893) 0.991 1.898 ( 0.247 3.067 -3.472) 4.639 1.919 ( -0.547 2.257 -0.867) 2.479 1.945 ( -1.886 -0.845 -1.323) 2.454 1.970 ( 0.641 0.487 -2.355) 2.489 2.008 ( -0.762 0.531 -2.789) 2.940 2.034 ( 0.079 0.066 -2.460) 2.462 2.091 ( -0.443 -0.367 0.760) 0.954 2.135 ( -0.753 -0.901 0.032) 1.175 2.168 ( -0.875 -1.272 -2.588) 3.014 2.254 ( 1.967 -1.196 -0.172) 2.308 2.257 ( -0.794 2.605 -2.740) 3.863 2.323 ( -2.408 -0.377 -1.342) 2.783 2.378 ( 0.428 -2.604 1.298) 2.941 2.417 ( 2.273 -3.332 0.678) 4.090 2.447 ( 0.238 0.242 -2.231) 2.257 2.495 ( 0.384 -0.442 0.272) 0.646 2.519 ( 0.269 1.453 -1.912) 2.416 2.533 ( -0.091 0.556 -2.906) 2.960 2.605 ( -0.176 0.400 -0.620) 0.758 2.621 ( 0.702 0.188 -0.217) 0.758 2.718 ( 0.423 0.418 0.552) 0.811 2.744 ( 0.017 -0.410 -0.842) 0.937 2.931 ( -1.049 4.254 3.529) 5.626 3.010 ( -1.159 3.456 0.898) 3.754 3.089 ( -0.826 -1.212 3.837) 4.108 3.137 ( 1.875 -1.169 2.080) 3.035 3.408 ( -1.254 0.453 -1.632) 2.107 3.426 ( -0.241 0.209 -1.922) 1.948 3.475 ( -0.464 -1.165 1.980) 2.343 3.504 ( -1.357 -1.849 0.134) 2.297 3.568 ( -0.611 1.389 1.027) 1.832 3.593 ( -0.225 -0.196 0.567) 0.641 3.652 ( 0.052 2.293 -1.337) 2.655 3.685 ( -0.128 1.415 -1.659) 2.185 3.763 ( 0.220 -0.108 2.304) 2.317 3.806 ( 2.096 -2.540 -0.586) 3.345 3.890 ( -0.336 0.316 1.144) 1.234 3.920 ( 1.735 0.495 1.182) 2.157 3.952 ( 2.021 -0.697 1.177) 2.441 3.986 ( 1.419 -3.099 -1.421) 3.692 4.235 ( -1.778 0.877 -0.544) 2.056 4.291 ( 2.909 -1.968 -2.205) 4.147 5.480 ( 1.217 0.034 0.153) 1.227 5.485 ( -1.194 -0.165 -0.445) 1.285 5.573 ( 1.725 1.211 0.811) 2.258 5.608 ( 2.439 -0.518 -0.242) 2.505 5.651 ( -0.989 0.096 0.494) 1.110 5.679 ( -2.124 -1.105 -0.251) 2.408 5.755 ( -0.435 -0.013 0.330) 0.546 5.763 ( -1.252 1.005 -0.619) 1.721 5.777 ( -1.009 1.403 -0.929) 1.962 5.805 ( -0.097 0.586 -1.720) 1.820 ======================= Grid point 72 (38/60) ======================= q-point: ( 0.17 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 1.285 -0.205 3.861) 4.074 0.627 ( -1.503 -3.132 0.975) 3.608 0.649 ( 3.781 4.174 4.644) 7.300 0.761 ( 4.038 -1.237 3.085) 5.230 0.814 ( -0.490 0.453 -5.058) 5.102 0.831 ( 2.003 -3.368 1.014) 4.048 0.880 ( -0.439 -0.658 -1.992) 2.144 0.903 ( -2.776 -1.072 -1.800) 3.477 0.974 ( -1.683 -1.440 3.569) 4.201 1.000 ( -2.835 -1.351 -1.153) 3.346 1.047 ( 4.100 1.354 4.132) 5.976 1.104 ( -2.427 -1.570 -1.087) 3.088 1.136 ( -0.472 -1.958 0.130) 2.018 1.173 ( 0.249 -3.887 1.435) 4.151 1.210 ( -4.103 1.075 1.244) 4.420 1.233 ( 1.596 0.381 4.992) 5.255 1.264 ( 1.677 -1.059 3.949) 4.419 1.309 ( -0.524 0.758 0.852) 1.255 1.408 ( -0.586 2.805 -2.296) 3.672 1.437 ( -0.118 0.017 -1.610) 1.615 1.473 ( -0.341 4.265 1.426) 4.510 1.496 ( -4.804 1.567 -1.919) 5.405 1.572 ( 0.191 -1.587 -1.696) 2.331 1.660 ( -0.938 -0.140 2.525) 2.697 1.666 ( -4.158 0.585 1.322) 4.402 1.686 ( 0.164 -0.535 -1.617) 1.711 1.697 ( -1.552 -0.906 2.557) 3.125 1.755 ( -0.349 -0.613 1.403) 1.571 1.782 ( -0.984 1.703 1.225) 2.318 1.804 ( 1.898 1.659 0.071) 2.522 1.853 ( 0.058 0.459 -0.766) 0.895 1.864 ( 2.294 2.227 -0.376) 3.219 1.905 ( -1.085 2.060 -1.218) 2.628 1.908 ( 1.488 0.267 2.167) 2.642 1.922 ( 2.279 -0.816 0.533) 2.479 1.966 ( -0.056 0.921 -1.022) 1.377 1.984 ( 1.734 0.647 -1.313) 2.269 2.034 ( 2.377 -2.255 -3.757) 4.985 2.092 ( -0.992 2.069 0.421) 2.333 2.146 ( 1.488 -2.089 -0.930) 2.728 2.155 ( 1.008 -1.425 1.430) 2.256 2.201 ( -0.816 0.123 -3.065) 3.174 2.269 ( -1.371 -0.844 -1.675) 2.323 2.320 ( 2.318 -1.308 1.760) 3.191 2.380 ( -0.825 -2.134 -0.265) 2.303 2.440 ( 0.757 0.929 0.464) 1.285 2.457 ( 1.067 -2.825 -1.873) 3.553 2.494 ( -0.136 0.246 -0.413) 0.500 2.497 ( -0.265 -0.883 -1.436) 1.707 2.534 ( 1.894 -0.494 -1.571) 2.510 2.601 ( -0.377 1.722 0.421) 1.812 2.632 ( 1.198 0.032 -0.999) 1.561 2.726 ( -0.480 -0.253 0.227) 0.588 2.742 ( 1.247 -0.704 -1.412) 2.011 2.929 ( -2.511 4.633 3.368) 6.254 2.989 ( -1.667 5.158 0.368) 5.433 3.076 ( -3.375 -0.881 2.512) 4.299 3.149 ( -1.946 -1.706 0.024) 2.588 3.403 ( 1.509 0.916 0.205) 1.777 3.445 ( 2.906 -0.795 -0.317) 3.029 3.481 ( -1.112 -1.344 1.759) 2.478 3.486 ( -0.870 -2.205 1.600) 2.860 3.558 ( -1.142 1.717 0.677) 2.170 3.587 ( -0.556 -0.531 0.190) 0.793 3.644 ( -0.191 2.214 -0.853) 2.380 3.678 ( 0.734 1.632 -1.162) 2.134 3.780 ( 0.278 -0.139 1.122) 1.165 3.824 ( 1.185 -1.938 -1.173) 2.556 3.885 ( -0.943 0.306 0.364) 1.057 3.925 ( -0.126 -1.745 -1.031) 2.030 3.976 ( -0.526 0.576 -1.796) 1.958 3.996 ( 1.218 -0.427 -1.671) 2.111 4.227 ( 0.946 1.320 1.550) 2.245 4.332 ( 3.544 -3.638 -3.153) 5.978 5.461 ( -0.193 1.661 -0.419) 1.724 5.532 ( 2.818 -1.322 0.517) 3.155 5.566 ( -2.227 1.576 -0.820) 2.849 5.602 ( -0.942 -0.009 -2.163) 2.360 5.654 ( 1.026 0.081 1.530) 1.844 5.687 ( 1.336 -1.112 1.004) 2.008 5.728 ( -1.742 1.185 0.927) 2.302 5.742 ( -1.539 0.719 0.129) 1.704 5.778 ( 0.635 -0.134 0.025) 0.649 5.789 ( -0.293 -0.328 -0.792) 0.906 ======================= Grid point 73 (39/60) ======================= q-point: ( 0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 1.001 -2.123 -0.026) 2.347 0.627 ( 1.185 -1.689 -0.598) 2.148 0.729 ( -0.347 -2.235 -2.656) 3.488 0.748 ( -2.637 -0.584 0.982) 2.874 0.768 ( 0.475 -2.564 -4.245) 4.982 0.799 ( -2.646 -2.617 -1.744) 4.110 0.898 ( 4.607 2.808 4.377) 6.948 0.909 ( -1.440 0.057 1.714) 2.239 0.960 ( -2.849 2.658 -1.347) 4.123 0.996 ( -0.479 -3.689 -1.204) 3.910 1.047 ( 5.600 -3.622 3.074) 7.343 1.085 ( -3.255 -4.402 1.856) 5.781 1.138 ( -1.035 2.665 -3.259) 4.335 1.210 ( 1.196 1.861 0.698) 2.319 1.251 ( 1.203 -1.146 0.886) 1.884 1.264 ( 2.297 0.697 2.787) 3.678 1.290 ( -0.031 -0.204 0.214) 0.297 1.308 ( 0.678 1.758 5.069) 5.408 1.377 ( -0.307 2.598 -1.359) 2.949 1.385 ( -3.926 1.307 -0.493) 4.167 1.428 ( -2.903 -0.075 -0.000) 2.904 1.470 ( -2.758 1.024 0.697) 3.024 1.519 ( -3.084 -0.569 0.091) 3.137 1.557 ( -4.360 -2.938 -3.328) 6.222 1.634 ( -2.910 0.859 1.576) 3.419 1.692 ( -0.103 -2.700 2.360) 3.587 1.722 ( -0.995 1.575 -1.171) 2.201 1.748 ( 0.439 1.111 -2.078) 2.397 1.780 ( -1.029 5.417 0.661) 5.554 1.832 ( 0.067 0.530 -2.447) 2.504 1.868 ( 1.140 0.999 1.326) 2.014 1.881 ( 2.029 4.014 2.701) 5.246 1.903 ( -0.712 1.282 -2.595) 2.980 1.916 ( 1.828 1.710 1.343) 2.841 1.962 ( 1.992 -1.304 0.608) 2.458 2.010 ( 0.707 -0.854 2.023) 2.307 2.040 ( 1.547 -2.631 -1.836) 3.562 2.064 ( 5.408 -1.219 2.501) 6.082 2.107 ( 1.689 0.354 2.937) 3.406 2.156 ( 0.469 -0.049 -0.760) 0.894 2.169 ( 1.320 -2.643 -0.397) 2.981 2.218 ( 1.520 -1.232 1.039) 2.215 2.242 ( 0.497 0.107 -0.899) 1.033 2.341 ( -1.567 -4.182 0.074) 4.467 2.375 ( -0.039 0.671 -0.024) 0.672 2.425 ( -0.434 -0.059 -1.807) 1.860 2.468 ( 1.160 1.085 0.633) 1.710 2.475 ( -0.586 -0.323 -1.463) 1.608 2.502 ( 0.483 -2.029 -0.512) 2.148 2.548 ( 0.572 -1.469 -0.364) 1.618 2.601 ( -0.435 2.598 0.930) 2.793 2.646 ( 1.816 0.559 -1.806) 2.621 2.714 ( -0.576 0.399 -0.167) 0.721 2.758 ( 1.983 -1.265 -1.760) 2.938 2.913 ( -2.019 3.981 3.087) 5.427 2.967 ( -0.884 4.629 0.042) 4.713 3.034 ( -3.101 -0.836 1.962) 3.764 3.088 ( -3.529 -1.090 -1.220) 3.890 3.441 ( 1.536 0.320 1.173) 1.959 3.474 ( -0.426 -1.243 0.965) 1.630 3.494 ( 0.044 -0.471 1.933) 1.990 3.508 ( 3.225 -1.475 0.613) 3.599 3.544 ( -0.971 1.399 0.095) 1.706 3.578 ( -0.417 -0.780 -0.091) 0.889 3.631 ( -0.297 1.234 -0.730) 1.464 3.680 ( -0.197 0.838 0.167) 0.877 3.796 ( 1.116 -0.207 -1.683) 2.030 3.829 ( 0.370 -0.952 -0.412) 1.101 3.869 ( -0.788 1.017 -0.214) 1.304 3.900 ( -2.062 -0.428 -1.221) 2.434 3.944 ( -0.725 0.457 -2.513) 2.655 3.982 ( 0.889 -0.957 -3.295) 3.545 4.273 ( 1.228 0.678 2.691) 3.034 4.353 ( 1.594 -2.888 -2.154) 3.940 5.469 ( 1.076 2.837 0.228) 3.043 5.508 ( -1.862 1.308 -1.106) 2.530 5.565 ( -0.139 -0.347 -2.623) 2.649 5.601 ( 2.592 -1.762 0.403) 3.160 5.665 ( -0.955 -0.319 -1.711) 1.985 5.683 ( -1.599 -0.885 0.658) 1.942 5.724 ( 0.359 0.963 2.396) 2.607 5.745 ( 0.101 -0.033 2.133) 2.135 5.781 ( -0.153 0.001 -0.264) 0.305 5.789 ( 0.573 -0.350 -0.020) 0.672 ======================= Grid point 74 (40/60) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( -4.407 -0.543 -2.007) 4.873 0.624 ( -5.132 1.844 -0.759) 5.506 0.655 ( 0.784 -4.338 1.232) 4.577 0.720 ( -1.571 0.458 1.600) 2.288 0.750 ( -1.828 -3.818 -0.436) 4.255 0.825 ( 5.849 -5.015 -2.025) 7.967 0.894 ( -2.786 -0.171 0.437) 2.825 0.916 ( -3.123 -1.334 0.615) 3.451 0.957 ( -0.105 -3.829 4.333) 5.784 0.991 ( -2.676 -2.043 -3.628) 4.949 1.041 ( 0.798 0.002 -0.456) 0.919 1.120 ( 0.147 -1.582 -2.846) 3.259 1.149 ( 5.236 4.209 2.746) 7.257 1.228 ( -4.758 3.840 -0.839) 6.172 1.249 ( 2.252 1.258 2.607) 3.667 1.271 ( -0.095 -0.929 1.806) 2.034 1.302 ( -1.325 1.696 2.153) 3.044 1.328 ( -0.518 1.713 -0.836) 1.975 1.342 ( -1.821 1.114 1.353) 2.527 1.403 ( 1.064 1.347 0.361) 1.754 1.411 ( -2.963 -1.013 -1.268) 3.378 1.454 ( -0.305 -1.723 1.621) 2.385 1.467 ( 4.984 -1.624 5.136) 7.339 1.547 ( 2.572 -3.069 -0.310) 4.016 1.588 ( -3.047 3.022 -2.382) 4.908 1.617 ( -4.293 2.502 -2.117) 5.401 1.699 ( -1.272 -0.229 -1.085) 1.687 1.723 ( -0.742 -0.740 -4.071) 4.203 1.776 ( -0.052 3.020 0.905) 3.153 1.820 ( 1.144 2.963 -1.172) 3.386 1.877 ( -0.030 1.446 -0.135) 1.453 1.907 ( -1.158 -0.996 0.626) 1.651 1.927 ( 1.164 0.503 0.925) 1.570 1.959 ( 1.666 2.475 2.871) 4.141 2.001 ( 1.025 0.188 -0.859) 1.350 2.023 ( 0.316 -0.973 0.685) 1.231 2.046 ( 0.869 -3.116 1.450) 3.545 2.149 ( -0.106 -0.791 3.031) 3.134 2.163 ( 1.506 0.676 -0.083) 1.653 2.171 ( 2.720 -1.420 -0.675) 3.142 2.204 ( 1.505 -0.625 1.265) 2.063 2.234 ( 2.028 -1.654 -0.210) 2.625 2.261 ( -0.479 -0.221 0.918) 1.059 2.302 ( -1.856 2.401 -2.343) 3.834 2.350 ( -0.416 -4.152 0.960) 4.282 2.415 ( -0.794 -2.919 -1.770) 3.505 2.470 ( 1.169 0.581 -0.138) 1.313 2.496 ( 1.230 0.827 -0.195) 1.495 2.509 ( 1.086 -0.438 -0.130) 1.178 2.543 ( -0.446 -0.066 -1.063) 1.154 2.597 ( -0.594 2.442 0.919) 2.676 2.660 ( 1.587 1.495 -2.405) 3.246 2.710 ( 0.105 0.492 0.447) 0.673 2.774 ( 1.606 -0.858 -2.599) 3.173 2.915 ( -1.209 2.604 3.099) 4.224 2.959 ( -0.254 3.246 0.513) 3.297 3.009 ( -1.760 -1.067 1.601) 2.607 3.031 ( -1.447 -0.230 -0.397) 1.518 3.472 ( 0.530 -0.193 1.461) 1.566 3.481 ( 0.587 -0.664 0.363) 0.958 3.499 ( -0.990 0.646 0.900) 1.486 3.533 ( -0.486 0.307 1.116) 1.255 3.547 ( 0.380 0.132 -1.378) 1.435 3.587 ( 2.022 -0.895 0.300) 2.231 3.635 ( 0.579 -0.261 1.312) 1.458 3.682 ( -0.246 -0.647 1.430) 1.589 3.775 ( -0.172 1.643 -3.885) 4.221 3.807 ( -0.936 0.457 -4.269) 4.394 3.845 ( -2.334 0.328 -1.090) 2.597 3.862 ( -1.070 -1.587 0.343) 1.944 3.920 ( 0.478 1.213 -0.150) 1.312 3.978 ( 0.411 -1.370 -1.621) 2.162 4.301 ( -0.472 0.293 2.156) 2.227 4.354 ( 0.173 -2.109 -1.197) 2.432 5.479 ( -0.432 1.024 -1.072) 1.544 5.491 ( 1.137 1.560 -0.270) 1.949 5.561 ( 1.833 0.894 -1.017) 2.279 5.590 ( -2.529 1.213 -1.314) 3.097 5.641 ( -2.417 -1.606 0.453) 2.937 5.681 ( 2.428 -2.617 -0.827) 3.665 5.757 ( 0.054 0.494 1.210) 1.309 5.767 ( 1.361 0.388 2.440) 2.821 5.780 ( 0.179 -0.091 -0.249) 0.320 5.795 ( -0.064 -0.363 0.171) 0.406 ======================= Grid point 75 (41/60) ======================= q-point: (-0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( -5.875 1.625 5.563) 8.253 0.538 ( -6.434 4.000 4.970) 9.061 0.672 ( -1.286 -6.669 2.174) 7.131 0.707 ( -0.788 -1.531 -3.458) 3.863 0.731 ( -1.680 -2.253 5.301) 6.000 0.813 ( -1.135 -3.035 -2.615) 4.164 0.859 ( -2.269 -1.946 2.779) 4.081 0.904 ( 0.998 -4.791 0.756) 4.952 0.975 ( -1.714 2.218 1.121) 3.019 0.997 ( -2.614 0.835 2.408) 3.651 1.002 ( -0.264 1.218 -0.787) 1.474 1.078 ( -1.372 -0.214 -3.409) 3.680 1.127 ( -1.465 0.445 -0.457) 1.598 1.186 ( -4.190 -0.178 -2.298) 4.782 1.280 ( -1.061 1.272 0.509) 1.733 1.291 ( -0.857 1.824 2.068) 2.887 1.323 ( 3.712 1.887 2.123) 4.674 1.343 ( 2.737 -0.388 2.231) 3.552 1.366 ( 1.905 -0.653 0.224) 2.026 1.413 ( 0.639 0.709 4.416) 4.518 1.442 ( 1.833 0.360 -0.563) 1.951 1.466 ( -0.989 -0.620 -2.350) 2.624 1.501 ( 2.343 -0.050 -2.382) 3.342 1.547 ( -1.908 -0.853 0.038) 2.090 1.590 ( 4.293 -1.001 1.133) 4.552 1.628 ( 3.174 -2.814 1.559) 4.519 1.663 ( -0.774 0.456 -0.648) 1.108 1.704 ( 1.514 -1.338 -0.768) 2.161 1.773 ( -0.014 3.292 -0.079) 3.293 1.849 ( 2.419 4.775 -1.632) 5.595 1.864 ( -2.042 -0.348 0.928) 2.270 1.888 ( -0.424 3.205 0.063) 3.233 1.957 ( 0.553 0.522 1.427) 1.617 1.975 ( 0.369 -0.372 -2.122) 2.185 1.984 ( -0.669 -1.193 -1.668) 2.157 2.032 ( 0.745 1.206 0.256) 1.441 2.083 ( -1.602 -1.908 2.789) 3.740 2.117 ( -3.668 -0.664 -1.519) 4.025 2.158 ( -2.013 -1.734 -0.765) 2.765 2.187 ( 0.356 0.283 -0.169) 0.485 2.215 ( 0.298 -0.237 -1.815) 1.855 2.240 ( -0.835 -0.407 -0.739) 1.187 2.291 ( 2.274 -2.536 1.839) 3.871 2.309 ( 2.201 2.100 -0.088) 3.044 2.331 ( -0.768 -2.401 -0.971) 2.701 2.406 ( 0.037 -2.973 0.048) 2.974 2.472 ( -0.264 1.231 -0.177) 1.272 2.508 ( 1.223 0.853 -1.446) 2.077 2.520 ( -0.652 -0.547 -1.850) 2.036 2.538 ( 1.812 -0.112 -0.264) 1.835 2.608 ( 0.632 3.108 0.841) 3.282 2.653 ( 0.260 2.203 -2.984) 3.718 2.720 ( 0.433 0.523 0.079) 0.683 2.763 ( 0.019 0.254 -2.810) 2.821 2.911 ( -1.557 2.131 2.131) 3.392 2.979 ( 1.371 1.585 2.332) 3.135 3.002 ( -0.296 -1.462 1.681) 2.247 3.034 ( 0.851 -0.163 1.204) 1.483 3.467 ( -0.730 0.368 -0.038) 0.819 3.501 ( -1.489 -0.093 -0.831) 1.708 3.502 ( 0.732 -0.870 0.137) 1.146 3.518 ( 0.543 -0.224 1.683) 1.783 3.552 ( -0.223 1.826 0.601) 1.935 3.597 ( -0.483 -0.857 -2.808) 2.976 3.663 ( 0.465 -0.359 2.260) 2.335 3.691 ( 0.156 -1.471 0.929) 1.747 3.739 ( -0.533 2.071 -2.518) 3.303 3.763 ( 0.063 1.033 -2.385) 2.599 3.809 ( -1.144 0.476 0.966) 1.571 3.854 ( 0.620 -1.519 0.969) 1.905 3.942 ( 0.461 -0.315 1.884) 1.965 3.957 ( -1.009 -0.814 -1.944) 2.337 4.298 ( -1.396 0.296 1.188) 1.857 4.336 ( -1.365 -1.529 -0.879) 2.230 5.471 ( -0.063 1.206 -0.339) 1.254 5.509 ( 1.594 -0.118 -0.581) 1.701 5.540 ( -0.837 1.346 -1.819) 2.413 5.590 ( -2.200 -0.655 0.439) 2.337 5.607 ( 1.624 0.866 0.464) 1.898 5.710 ( 1.052 -2.842 -0.048) 3.031 5.764 ( -0.430 0.275 0.160) 0.535 5.778 ( 0.013 -0.182 -0.202) 0.273 5.797 ( 0.860 0.781 -0.487) 1.259 5.814 ( 1.974 0.047 0.747) 2.111 ======================= Grid point 76 (42/60) ======================= q-point: (-0.17 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( -1.945 1.840 10.675) 11.005 0.490 ( -4.123 1.930 7.041) 8.385 0.643 ( -0.797 -4.461 0.181) 4.535 0.707 ( 0.798 -5.079 1.271) 5.297 0.760 ( -2.784 3.254 0.229) 4.289 0.823 ( -2.811 3.881 5.120) 7.013 0.846 ( 2.678 0.831 4.032) 4.911 0.872 ( 1.433 -2.976 2.040) 3.882 0.943 ( -3.717 -1.247 3.398) 5.188 0.995 ( -2.702 0.983 2.955) 4.123 1.014 ( 1.031 1.609 1.460) 2.405 1.066 ( 2.848 -1.213 0.328) 3.112 1.100 ( -0.292 -1.765 -2.229) 2.858 1.129 ( -2.111 -1.595 -1.813) 3.208 1.245 ( -2.659 0.984 -0.566) 2.891 1.261 ( -1.485 -0.335 0.484) 1.597 1.328 ( -2.481 -3.137 -2.790) 4.877 1.369 ( -1.421 -1.892 0.539) 2.427 1.388 ( -0.166 0.890 0.045) 0.906 1.444 ( -0.732 1.102 1.256) 1.824 1.488 ( 3.117 -2.422 -1.268) 4.147 1.496 ( 3.177 1.546 1.036) 3.682 1.537 ( 3.920 -0.651 0.701) 4.035 1.558 ( 3.434 -0.531 1.628) 3.837 1.662 ( 1.929 -0.796 1.183) 2.399 1.673 ( 1.826 2.333 1.333) 3.249 1.713 ( 3.829 -2.669 1.970) 5.066 1.738 ( 1.403 -0.063 -0.651) 1.548 1.781 ( -0.336 2.748 1.128) 2.990 1.826 ( -1.880 2.444 0.103) 3.085 1.850 ( -1.375 0.561 0.106) 1.489 1.874 ( -0.903 3.120 -3.546) 4.808 1.929 ( -0.838 1.084 -3.692) 3.938 1.957 ( -0.728 2.844 -3.695) 4.719 1.981 ( -0.206 -0.933 0.050) 0.956 2.002 ( -2.331 -1.095 -3.648) 4.466 2.048 ( -1.019 -1.115 0.925) 1.771 2.055 ( -2.414 -0.540 -0.889) 2.629 2.113 ( -2.273 -0.145 0.224) 2.289 2.177 ( -2.071 -1.465 -1.960) 3.206 2.190 ( 0.446 -2.398 -1.294) 2.761 2.230 ( -0.252 -0.456 -0.139) 0.539 2.295 ( 0.600 2.169 -3.362) 4.046 2.345 ( 0.321 -1.207 2.737) 3.009 2.356 ( 2.087 -1.589 0.028) 2.623 2.391 ( -1.145 -2.391 -0.438) 2.687 2.470 ( 0.044 0.985 -1.492) 1.788 2.489 ( -0.191 0.440 -1.081) 1.183 2.521 ( 1.138 1.236 -1.622) 2.335 2.555 ( 0.534 0.046 -1.365) 1.467 2.612 ( 0.173 1.025 -1.130) 1.535 2.627 ( -0.709 1.773 -1.403) 2.370 2.716 ( -0.238 0.930 -0.638) 1.153 2.748 ( 0.126 0.392 -0.585) 0.716 2.913 ( -0.475 3.038 2.843) 4.188 3.013 ( 0.241 0.215 0.370) 0.492 3.042 ( 1.672 -0.546 4.365) 4.706 3.076 ( 2.215 -0.540 2.310) 3.246 3.449 ( -1.381 -0.132 -1.794) 2.268 3.467 ( -0.464 -0.713 0.116) 0.859 3.483 ( -2.570 1.033 -1.865) 3.339 3.525 ( -0.765 -1.088 -0.165) 1.340 3.561 ( -0.038 0.850 1.164) 1.442 3.576 ( 0.964 0.239 0.737) 1.237 3.666 ( 0.150 0.590 -1.860) 1.957 3.710 ( -1.233 1.723 -1.138) 2.405 3.724 ( 1.675 -1.053 2.595) 3.263 3.767 ( 1.461 -0.330 0.208) 1.512 3.842 ( 1.625 0.584 4.468) 4.790 3.898 ( 2.057 -1.269 2.380) 3.392 3.919 ( -0.845 0.065 -1.922) 2.101 3.966 ( 1.266 -2.729 0.060) 3.009 4.274 ( -1.954 0.421 0.012) 1.999 4.296 ( -1.689 -0.596 -0.929) 2.018 5.465 ( -0.084 1.242 -0.029) 1.245 5.529 ( -2.157 -1.614 0.352) 2.717 5.535 ( 1.514 0.949 -0.066) 1.788 5.560 ( 2.354 -0.036 -1.307) 2.693 5.646 ( 0.987 0.789 1.230) 1.764 5.713 ( -1.042 -2.282 -0.024) 2.509 5.751 ( -0.430 0.238 0.418) 0.645 5.776 ( -0.121 -0.651 -0.352) 0.750 5.811 ( 1.216 1.512 -1.506) 2.457 5.826 ( -0.380 1.007 -2.646) 2.857 ======================= Grid point 77 (43/60) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 0.020 -2.852 6.881) 7.449 0.541 ( 0.020 2.852 6.881) 7.449 0.660 ( 0.586 -1.401 3.734) 4.031 0.660 ( 0.586 1.401 3.734) 4.031 0.780 ( -1.895 -6.827 -2.313) 7.454 0.780 ( -1.895 6.827 -2.313) 7.454 0.915 ( 3.427 -2.095 3.289) 5.191 0.915 ( 3.427 2.095 3.289) 5.191 1.006 ( -3.208 -3.645 0.565) 4.889 1.006 ( -3.208 3.645 0.565) 4.889 1.043 ( 0.658 -2.969 0.903) 3.173 1.043 ( 0.658 2.969 0.903) 3.173 1.106 ( 1.645 -1.668 0.823) 2.483 1.106 ( 1.645 1.668 0.823) 2.483 1.217 ( 0.012 -3.502 2.415) 4.254 1.217 ( 0.012 3.502 2.415) 4.254 1.262 ( -3.016 -1.845 2.684) 4.439 1.262 ( -3.016 1.845 2.684) 4.439 1.453 ( 1.590 -1.104 -1.574) 2.495 1.453 ( 1.590 1.104 -1.574) 2.495 1.515 ( 0.230 -2.733 3.040) 4.094 1.515 ( 0.230 2.733 3.040) 4.094 1.623 ( 2.281 -2.763 -1.926) 4.068 1.623 ( 2.281 2.763 -1.926) 4.068 1.684 ( -2.997 -0.588 -0.289) 3.068 1.684 ( -2.997 0.588 -0.289) 3.068 1.751 ( 1.374 -1.329 -0.382) 1.950 1.751 ( 1.374 1.329 -0.382) 1.950 1.785 ( -1.070 -1.376 0.155) 1.750 1.785 ( -1.070 1.376 0.155) 1.750 1.834 ( -0.406 -1.614 1.092) 1.991 1.834 ( -0.406 1.614 1.092) 1.991 1.941 ( -1.381 -2.266 -0.605) 2.722 1.941 ( -1.381 2.266 -0.605) 2.722 1.955 ( 0.566 -1.175 -2.612) 2.920 1.955 ( 0.566 1.175 -2.612) 2.920 2.028 ( -1.370 -0.801 -2.276) 2.775 2.028 ( -1.370 0.801 -2.276) 2.775 2.097 ( 0.760 -2.962 -0.405) 3.084 2.097 ( 0.760 2.962 -0.405) 3.084 2.197 ( 0.427 -4.012 -1.177) 4.203 2.197 ( 0.427 4.012 -1.177) 4.203 2.305 ( -1.952 -1.892 -2.203) 3.499 2.305 ( -1.952 1.892 -2.203) 3.499 2.370 ( 2.182 -1.395 -0.373) 2.617 2.370 ( 2.182 1.395 -0.373) 2.617 2.470 ( -0.604 -1.619 -0.851) 1.926 2.470 ( -0.604 1.619 -0.851) 1.926 2.538 ( 0.363 -0.416 -2.808) 2.862 2.538 ( 0.363 0.416 -2.808) 2.862 2.610 ( 0.164 -0.528 -0.027) 0.553 2.610 ( 0.164 0.528 -0.027) 0.553 2.734 ( -0.051 -0.821 -0.494) 0.960 2.734 ( -0.051 0.821 -0.494) 0.960 3.012 ( -0.949 -3.532 4.506) 5.804 3.012 ( -0.949 3.532 4.506) 5.804 3.102 ( 0.854 -2.476 1.404) 2.972 3.102 ( 0.854 2.476 1.404) 2.972 3.421 ( -0.595 -0.820 -1.172) 1.549 3.421 ( -0.595 0.820 -1.172) 1.549 3.472 ( -1.397 -1.186 0.227) 1.846 3.472 ( -1.397 1.186 0.227) 1.846 3.586 ( -0.405 -0.624 0.882) 1.154 3.586 ( -0.405 0.624 0.882) 1.154 3.696 ( 0.186 -1.285 -1.531) 2.008 3.696 ( 0.186 1.285 -1.531) 2.008 3.765 ( 1.141 -0.995 1.107) 1.875 3.765 ( 1.141 0.995 1.107) 1.875 3.907 ( -0.186 -1.611 -0.963) 1.886 3.907 ( -0.186 1.611 -0.963) 1.886 3.949 ( 2.893 -0.815 2.429) 3.864 3.949 ( 2.893 0.815 2.429) 3.864 4.257 ( -0.299 -1.566 -1.053) 1.911 4.257 ( -0.299 1.566 -1.053) 1.911 5.482 ( 0.193 -0.158 -0.375) 0.450 5.482 ( 0.193 0.158 -0.375) 0.450 5.595 ( 2.187 -0.967 0.446) 2.432 5.595 ( 2.187 0.967 0.446) 2.432 5.660 ( -1.378 -0.865 0.114) 1.631 5.660 ( -1.378 0.865 0.114) 1.631 5.759 ( -0.125 -0.487 0.261) 0.567 5.759 ( -0.125 0.487 0.261) 0.567 5.807 ( -1.197 -0.755 -2.193) 2.610 5.807 ( -1.197 0.755 -2.193) 2.610 ======================= Grid point 79 (44/60) ======================= q-point: ( 0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( -0.586 -2.305 2.367) 3.355 0.569 ( -0.586 2.305 2.367) 3.355 0.740 ( 2.640 -4.008 2.944) 5.630 0.740 ( 2.640 4.008 2.944) 5.630 0.779 ( 2.702 -0.150 -0.961) 2.871 0.779 ( 2.702 0.150 -0.961) 2.871 0.893 ( -3.749 -1.322 -0.995) 4.098 0.893 ( -3.749 1.322 -0.995) 4.098 0.965 ( -2.537 -2.233 1.738) 3.801 0.965 ( -2.537 2.233 1.738) 3.801 1.088 ( -0.838 -2.709 -1.032) 3.017 1.088 ( -0.838 2.709 -1.032) 3.017 1.114 ( 2.844 -1.852 0.273) 3.404 1.114 ( 2.844 1.852 0.273) 3.404 1.222 ( -0.424 -0.832 5.190) 5.273 1.222 ( -0.424 0.832 5.190) 5.273 1.290 ( 0.649 -2.470 1.562) 2.994 1.290 ( 0.649 2.470 1.562) 2.994 1.445 ( -1.151 -0.528 -2.462) 2.768 1.445 ( -1.151 0.528 -2.462) 2.768 1.507 ( -1.538 -1.560 -0.385) 2.224 1.507 ( -1.538 1.560 -0.385) 2.224 1.598 ( -3.119 -4.728 -2.521) 6.200 1.598 ( -3.119 4.728 -2.521) 6.200 1.682 ( -0.456 -0.067 3.309) 3.341 1.682 ( -0.456 0.067 3.309) 3.341 1.723 ( 0.087 -2.355 1.380) 2.731 1.723 ( 0.087 2.355 1.380) 2.731 1.807 ( -0.559 -1.056 1.525) 1.937 1.807 ( -0.559 1.056 1.525) 1.937 1.871 ( 3.467 -1.381 0.781) 3.813 1.871 ( 3.467 1.381 0.781) 3.813 1.924 ( -0.345 -0.512 0.269) 0.673 1.924 ( -0.345 0.512 0.269) 0.673 1.955 ( 2.290 -2.765 -1.011) 3.730 1.955 ( 2.290 2.765 -1.011) 3.730 1.995 ( -0.339 -1.419 -2.236) 2.670 1.995 ( -0.339 1.419 -2.236) 2.670 2.112 ( 0.644 -0.732 -0.567) 1.128 2.112 ( 0.644 0.732 -0.567) 1.128 2.175 ( -0.263 -3.199 -1.865) 3.712 2.175 ( -0.263 3.199 -1.865) 3.712 2.273 ( -0.935 -1.706 0.065) 1.946 2.273 ( -0.935 1.706 0.065) 1.946 2.398 ( 1.790 -2.779 -1.210) 3.521 2.398 ( 1.790 2.779 -1.210) 3.521 2.467 ( 0.360 -1.758 0.770) 1.953 2.467 ( 0.360 1.758 0.770) 1.953 2.518 ( -0.145 -1.266 -2.326) 2.652 2.518 ( -0.145 1.266 -2.326) 2.652 2.623 ( 1.096 -0.749 -0.128) 1.333 2.623 ( 1.096 0.749 -0.128) 1.333 2.730 ( 0.231 -0.563 -0.673) 0.907 2.730 ( 0.231 0.563 -0.673) 0.907 3.012 ( -2.601 -3.299 3.053) 5.193 3.012 ( -2.601 3.299 3.053) 5.193 3.099 ( -1.915 -3.497 0.085) 3.988 3.099 ( -1.915 3.497 0.085) 3.988 3.428 ( 1.811 -1.552 0.008) 2.386 3.428 ( 1.811 1.552 0.008) 2.386 3.461 ( -0.824 -0.307 1.764) 1.971 3.461 ( -0.824 0.307 1.764) 1.971 3.578 ( -0.959 -0.629 0.528) 1.262 3.578 ( -0.959 0.629 0.528) 1.262 3.685 ( -0.229 -1.493 -1.123) 1.882 3.685 ( -0.229 1.493 -1.123) 1.882 3.789 ( 1.304 -1.454 -0.294) 1.975 3.789 ( 1.304 1.454 -0.294) 1.975 3.897 ( -0.220 -1.110 -0.351) 1.184 3.897 ( -0.220 1.110 -0.351) 1.184 3.986 ( 0.520 -0.585 -1.549) 1.736 3.986 ( 0.520 0.585 -1.549) 1.736 4.267 ( 1.772 -3.013 -0.032) 3.496 4.267 ( 1.772 3.013 -0.032) 3.496 5.498 ( 1.779 -2.138 -0.354) 2.804 5.498 ( 1.779 2.138 -0.354) 2.804 5.593 ( -1.684 -1.069 -1.495) 2.493 5.593 ( -1.684 1.069 -1.495) 2.493 5.664 ( 1.169 -1.070 1.075) 1.915 5.664 ( 1.169 1.070 1.075) 1.915 5.746 ( -1.771 -0.404 0.453) 1.873 5.746 ( -1.771 0.404 0.453) 1.873 5.781 ( -0.011 -0.451 -0.334) 0.561 5.781 ( -0.011 0.451 -0.334) 0.561 ======================= Grid point 81 (45/60) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 0.961 -1.639 -0.185) 1.909 0.590 ( 0.961 1.639 -0.185) 1.909 0.705 ( -2.231 -1.413 -2.528) 3.656 0.705 ( -2.231 1.413 -2.528) 3.656 0.778 ( -0.285 -1.385 -2.790) 3.128 0.778 ( -0.285 1.385 -2.790) 3.128 0.907 ( -3.058 -1.208 2.291) 4.008 0.907 ( -3.058 1.208 2.291) 4.008 0.990 ( 5.639 -2.840 3.260) 7.106 0.990 ( 5.639 2.840 3.260) 7.106 1.012 ( -3.307 -3.417 0.448) 4.776 1.012 ( -3.307 3.417 0.448) 4.776 1.199 ( 2.031 -3.147 -0.379) 3.764 1.199 ( 2.031 3.147 -0.379) 3.764 1.254 ( 1.522 -1.660 -1.281) 2.591 1.254 ( 1.522 1.660 -1.281) 2.591 1.302 ( 0.174 -1.618 4.199) 4.503 1.302 ( 0.174 1.618 4.199) 4.503 1.398 ( -2.761 -0.293 0.517) 2.825 1.398 ( -2.761 0.293 0.517) 2.825 1.479 ( -1.206 -2.721 -1.628) 3.393 1.479 ( -1.206 2.721 -1.628) 3.393 1.504 ( -4.387 -1.774 -1.921) 5.107 1.504 ( -4.387 1.774 -1.921) 5.107 1.653 ( -1.663 -1.298 2.322) 3.137 1.653 ( -1.663 1.298 2.322) 3.137 1.751 ( -0.379 -0.892 -2.676) 2.846 1.751 ( -0.379 0.892 -2.676) 2.846 1.841 ( 1.692 -0.996 1.362) 2.389 1.841 ( 1.692 0.996 1.362) 2.389 1.906 ( -1.969 -2.269 1.345) 3.292 1.906 ( -1.969 2.269 1.345) 3.292 1.931 ( 1.248 -1.681 1.063) 2.348 1.931 ( 1.248 1.681 1.063) 2.348 1.976 ( 2.492 -4.051 -1.012) 4.863 1.976 ( 2.492 4.051 -1.012) 4.863 2.016 ( 2.289 -1.832 -0.699) 3.014 2.016 ( 2.289 1.832 -0.699) 3.014 2.118 ( 1.201 -1.733 1.746) 2.738 2.118 ( 1.201 1.733 1.746) 2.738 2.187 ( 1.294 -2.129 0.679) 2.582 2.187 ( 1.294 2.129 0.679) 2.582 2.266 ( 0.144 -2.882 0.591) 2.945 2.266 ( 0.144 2.882 0.591) 2.945 2.406 ( -0.111 -1.979 -2.190) 2.954 2.406 ( -0.111 1.979 -2.190) 2.954 2.472 ( -0.217 -0.215 0.305) 0.432 2.472 ( -0.217 0.215 0.305) 0.432 2.511 ( 0.791 -2.166 0.045) 2.306 2.511 ( 0.791 2.166 0.045) 2.306 2.640 ( 1.012 -1.262 -0.558) 1.711 2.640 ( 1.012 1.262 -0.558) 1.711 2.731 ( 0.796 -1.451 -0.986) 1.927 2.731 ( 0.796 1.451 -0.986) 1.927 2.988 ( -2.234 -3.146 2.096) 4.391 2.988 ( -2.234 3.146 2.096) 4.391 3.051 ( -2.746 -2.930 -0.564) 4.055 3.051 ( -2.746 2.930 -0.564) 4.055 3.454 ( 0.380 -0.994 0.907) 1.399 3.454 ( 0.380 0.994 0.907) 1.399 3.490 ( 1.960 -0.254 2.001) 2.813 3.490 ( 1.960 0.254 2.001) 2.813 3.564 ( -0.821 -0.844 -0.023) 1.178 3.564 ( -0.821 0.844 -0.023) 1.178 3.665 ( -0.811 -2.037 -1.053) 2.432 3.665 ( -0.811 2.037 -1.053) 2.432 3.809 ( 1.039 -1.234 -0.555) 1.706 3.809 ( 1.039 1.234 -0.555) 1.706 3.887 ( -0.942 -0.921 -0.292) 1.349 3.887 ( -0.942 0.921 -0.292) 1.349 3.960 ( 0.009 -1.198 -3.640) 3.832 3.960 ( 0.009 1.198 -3.640) 3.832 4.300 ( 1.248 -2.377 0.781) 2.796 4.300 ( 1.248 2.377 0.781) 2.796 5.519 ( 0.018 -1.442 -0.985) 1.747 5.519 ( 0.018 1.442 -0.985) 1.747 5.564 ( 1.231 -1.304 -1.126) 2.117 5.564 ( 1.231 1.304 -1.126) 2.117 5.668 ( -1.511 -0.631 -0.455) 1.700 5.668 ( -1.511 0.631 -0.455) 1.700 5.740 ( 0.097 -0.622 2.148) 2.239 5.740 ( 0.097 0.622 2.148) 2.239 5.783 ( 0.098 -0.259 0.102) 0.296 5.783 ( 0.098 0.259 0.102) 0.296 ======================= Grid point 83 (46/60) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( -1.270 -2.600 -0.784) 2.998 0.574 ( -1.270 2.600 -0.784) 2.998 0.680 ( -1.998 -3.254 -0.481) 3.848 0.680 ( -1.998 3.254 -0.481) 3.848 0.752 ( 1.424 -2.685 -2.569) 3.979 0.752 ( 1.424 2.685 -2.569) 3.979 0.881 ( -4.028 -1.283 3.250) 5.332 0.881 ( -4.028 1.283 3.250) 5.332 0.954 ( -1.655 -1.940 0.850) 2.688 0.954 ( -1.655 1.940 0.850) 2.688 1.073 ( 0.808 -2.969 -0.486) 3.115 1.073 ( 0.808 2.969 -0.486) 3.115 1.220 ( 2.803 -3.393 0.656) 4.449 1.220 ( 2.803 3.393 0.656) 4.449 1.267 ( -0.853 -0.432 -0.502) 1.080 1.267 ( -0.853 0.432 -0.502) 1.080 1.332 ( -1.407 -1.088 2.273) 2.886 1.332 ( -1.407 1.088 2.273) 2.886 1.377 ( -0.023 -2.401 0.117) 2.404 1.377 ( -0.023 2.401 0.117) 2.404 1.437 ( -1.526 -1.246 2.589) 3.253 1.437 ( -1.526 1.246 2.589) 3.253 1.477 ( 2.890 -3.650 -0.446) 4.677 1.477 ( 2.890 3.650 -0.446) 4.677 1.634 ( -2.519 -1.391 -1.584) 3.285 1.634 ( -2.519 1.391 -1.584) 3.285 1.701 ( -1.773 -1.164 -3.222) 3.858 1.701 ( -1.773 1.164 -3.222) 3.858 1.847 ( -0.402 -3.076 0.686) 3.177 1.847 ( -0.402 3.076 0.686) 3.177 1.891 ( 0.446 -2.793 0.872) 2.960 1.891 ( 0.446 2.793 0.872) 2.960 1.954 ( -0.053 -3.441 -0.014) 3.441 1.954 ( -0.053 3.441 -0.014) 3.441 1.997 ( 0.935 -0.832 -1.746) 2.148 1.997 ( 0.935 0.832 -1.746) 2.148 2.072 ( 2.693 -5.083 2.664) 6.340 2.072 ( 2.693 5.083 2.664) 6.340 2.165 ( 0.636 -0.639 2.459) 2.619 2.165 ( 0.636 0.639 2.459) 2.619 2.213 ( 1.210 -1.039 0.342) 1.631 2.213 ( 1.210 1.039 0.342) 1.631 2.285 ( 0.325 -2.840 0.723) 2.949 2.285 ( 0.325 2.840 0.723) 2.949 2.357 ( -1.364 -3.189 -2.382) 4.208 2.357 ( -1.364 3.189 -2.382) 4.208 2.491 ( 1.822 -1.293 -0.529) 2.296 2.491 ( 1.822 1.293 -0.529) 2.296 2.519 ( 0.029 -1.528 -0.372) 1.573 2.519 ( 0.029 1.528 -0.372) 1.573 2.651 ( 0.787 -2.398 -0.008) 2.524 2.651 ( 0.787 2.398 -0.008) 2.524 2.740 ( 1.060 -2.418 -1.330) 2.956 2.740 ( 1.060 2.418 -1.330) 2.956 2.973 ( -1.836 -2.884 2.208) 4.071 2.973 ( -1.836 2.884 2.208) 4.071 3.011 ( -0.940 -2.071 -0.348) 2.301 3.011 ( -0.940 2.071 -0.348) 2.301 3.472 ( 0.775 -0.259 1.090) 1.363 3.472 ( 0.775 0.259 1.090) 1.363 3.517 ( -0.964 -1.187 0.492) 1.607 3.517 ( -0.964 1.187 0.492) 1.607 3.566 ( 1.405 -1.265 0.313) 1.916 3.566 ( 1.405 1.265 0.313) 1.916 3.654 ( -0.046 -1.820 0.739) 1.965 3.654 ( -0.046 1.820 0.739) 1.965 3.802 ( -0.298 -1.073 -2.693) 2.914 3.802 ( -0.298 1.073 -2.693) 2.914 3.849 ( -2.027 -0.146 -1.182) 2.351 3.849 ( -2.027 0.146 -1.182) 2.351 3.947 ( 0.588 -1.763 -1.217) 2.221 3.947 ( 0.588 1.763 -1.217) 2.221 4.317 ( -0.131 -1.585 0.759) 1.762 4.317 ( -0.131 1.585 0.759) 1.762 5.498 ( -0.129 -0.758 -1.534) 1.716 5.498 ( -0.129 0.758 -1.534) 1.716 5.598 ( 0.989 -2.214 0.204) 2.433 5.598 ( 0.989 2.214 0.204) 2.433 5.629 ( -0.917 -2.292 -0.888) 2.623 5.629 ( -0.917 2.292 -0.888) 2.623 5.766 ( 0.708 -0.372 1.263) 1.495 5.766 ( 0.708 0.372 1.263) 1.495 5.786 ( 0.146 -0.587 0.464) 0.762 5.786 ( 0.146 0.587 0.464) 0.762 ======================= Grid point 85 (47/60) ======================= q-point: (-0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( -3.635 -5.945 2.685) 7.468 0.538 ( -3.635 5.945 2.685) 7.468 0.634 ( -3.769 -5.224 1.822) 6.694 0.634 ( -3.769 5.224 1.822) 6.694 0.750 ( 2.053 -2.759 -3.385) 4.826 0.750 ( 2.053 2.759 -3.385) 4.826 0.842 ( -1.892 -3.148 6.055) 7.082 0.842 ( -1.892 3.148 6.055) 7.082 0.993 ( 1.990 -0.937 2.008) 2.979 0.993 ( 1.990 0.937 2.008) 2.979 1.053 ( -2.956 -2.209 -0.301) 3.702 1.053 ( -2.956 2.209 -0.301) 3.702 1.157 ( -4.569 -2.410 -3.077) 6.013 1.157 ( -4.569 2.410 -3.077) 6.013 1.317 ( 1.717 -0.829 3.094) 3.634 1.317 ( 1.717 0.829 3.094) 3.634 1.332 ( -0.189 -1.616 -1.716) 2.365 1.332 ( -0.189 1.616 -1.716) 2.365 1.381 ( -0.179 -2.512 3.637) 4.423 1.381 ( -0.179 2.512 3.637) 4.423 1.460 ( 1.768 -0.419 -0.671) 1.937 1.460 ( 1.768 0.419 -0.671) 1.937 1.521 ( -0.633 -1.701 -3.809) 4.220 1.521 ( -0.633 1.701 -3.809) 4.220 1.587 ( 3.168 -1.330 2.163) 4.059 1.587 ( 3.168 1.330 2.163) 4.059 1.680 ( 0.770 -1.228 0.186) 1.462 1.680 ( 0.770 1.228 0.186) 1.462 1.842 ( -0.764 -2.795 0.132) 2.900 1.842 ( -0.764 2.795 0.132) 2.900 1.913 ( 0.750 -2.437 -0.190) 2.557 1.913 ( 0.750 2.437 -0.190) 2.557 1.959 ( 0.700 -0.994 0.519) 1.322 1.959 ( 0.700 0.994 0.519) 1.322 2.003 ( 1.299 -3.955 -1.158) 4.321 2.003 ( 1.299 3.955 -1.158) 4.321 2.080 ( -2.650 -1.898 -0.778) 3.351 2.080 ( -2.650 1.898 -0.778) 3.351 2.170 ( -1.660 -3.203 -0.129) 3.610 2.170 ( -1.660 3.203 -0.129) 3.610 2.222 ( -1.333 -2.689 0.125) 3.004 2.222 ( -1.333 2.689 0.125) 3.004 2.283 ( 1.359 -0.970 0.223) 1.684 2.283 ( 1.359 0.970 0.223) 1.684 2.362 ( 1.864 -2.223 -0.483) 2.941 2.362 ( 1.864 2.223 -0.483) 2.941 2.496 ( -0.147 -1.456 -1.451) 2.061 2.496 ( -0.147 1.456 -1.451) 2.061 2.527 ( 1.576 -0.910 -0.943) 2.050 2.527 ( 1.576 0.910 -0.943) 2.050 2.662 ( 0.412 -1.862 -1.290) 2.302 2.662 ( 0.412 1.862 -1.290) 2.302 2.742 ( 0.589 -1.906 -1.220) 2.338 2.742 ( 0.589 1.906 -1.220) 2.338 2.962 ( -1.318 -2.781 2.497) 3.963 2.962 ( -1.318 2.781 2.497) 3.963 3.016 ( 0.815 -1.746 1.257) 2.300 3.016 ( 0.815 1.746 1.257) 2.300 3.480 ( -0.717 -1.082 -1.063) 1.677 3.480 ( -0.717 1.082 -1.063) 1.677 3.510 ( 0.197 -0.578 1.755) 1.859 3.510 ( 0.197 0.578 1.755) 1.859 3.580 ( -0.139 -1.129 -1.010) 1.521 3.580 ( -0.139 1.129 -1.010) 1.521 3.668 ( 0.248 -0.848 1.496) 1.738 3.668 ( 0.248 0.848 1.496) 1.738 3.767 ( -0.188 -0.763 -2.757) 2.867 3.767 ( -0.188 0.763 -2.757) 2.867 3.826 ( -0.484 -1.315 1.615) 2.138 3.826 ( -0.484 1.315 1.615) 2.138 3.943 ( -0.312 -0.479 -0.558) 0.799 3.943 ( -0.312 0.479 -0.558) 0.799 4.310 ( -1.180 -1.085 0.316) 1.633 4.310 ( -1.180 1.085 0.316) 1.633 5.496 ( 0.736 -1.293 -0.451) 1.554 5.496 ( 0.736 1.293 -0.451) 1.554 5.565 ( -1.881 -1.416 -1.189) 2.638 5.565 ( -1.881 1.416 -1.189) 2.638 5.652 ( 1.572 -3.239 0.502) 3.635 5.652 ( 1.572 3.239 0.502) 3.635 5.771 ( -0.387 -0.460 -0.050) 0.603 5.771 ( -0.387 0.460 -0.050) 0.603 5.810 ( 1.822 -0.522 0.168) 1.903 5.810 ( 1.822 0.522 0.168) 1.903 ======================= Grid point 87 (48/60) ======================= q-point: (-0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( -2.861 -2.837 4.966) 6.395 0.508 ( -2.861 2.837 4.966) 6.395 0.616 ( -0.102 -3.967 3.877) 5.548 0.616 ( -0.102 3.967 3.877) 5.548 0.807 ( 4.244 -2.350 1.102) 4.975 0.807 ( 4.244 2.350 1.102) 4.975 0.878 ( -2.209 -4.137 1.491) 4.921 0.878 ( -2.209 4.137 1.491) 4.921 0.963 ( -3.329 -6.254 6.469) 9.594 0.963 ( -3.329 6.254 6.469) 9.594 1.042 ( 0.955 -0.868 0.889) 1.567 1.042 ( 0.955 0.868 0.889) 1.567 1.095 ( -0.542 -1.441 -2.024) 2.543 1.095 ( -0.542 1.441 -2.024) 2.543 1.266 ( -3.048 -2.424 -4.082) 5.641 1.266 ( -3.048 2.424 -4.082) 5.641 1.306 ( -4.764 -3.609 2.865) 6.627 1.306 ( -4.764 3.609 2.865) 6.627 1.426 ( 2.870 -2.129 -0.471) 3.604 1.426 ( 2.870 2.129 -0.471) 3.604 1.488 ( 0.718 -1.759 1.364) 2.339 1.488 ( 0.718 1.759 1.364) 2.339 1.549 ( 5.665 -1.110 -0.165) 5.775 1.549 ( 5.665 1.110 -0.165) 5.775 1.664 ( 1.953 -1.452 1.829) 3.044 1.664 ( 1.953 1.452 1.829) 3.044 1.720 ( 2.798 -1.863 0.757) 3.446 1.720 ( 2.798 1.863 0.757) 3.446 1.830 ( -0.736 -1.900 0.239) 2.051 1.830 ( -0.736 1.900 0.239) 2.051 1.890 ( -4.251 -2.630 -2.082) 5.415 1.890 ( -4.251 2.630 -2.082) 5.415 1.961 ( -0.383 -0.941 -2.305) 2.519 1.961 ( -0.383 0.941 -2.305) 2.519 1.973 ( -1.121 -3.973 -0.544) 4.164 1.973 ( -1.121 3.973 -0.544) 4.164 2.055 ( 0.893 -2.778 -2.088) 3.588 2.055 ( 0.893 2.778 -2.088) 3.588 2.121 ( -2.269 -2.559 -1.383) 3.689 2.121 ( -2.269 2.559 -1.383) 3.689 2.196 ( -1.057 -2.357 0.755) 2.691 2.196 ( -1.057 2.357 0.755) 2.691 2.320 ( 2.380 -1.181 -0.641) 2.733 2.320 ( 2.380 1.181 -0.641) 2.733 2.366 ( -0.830 -1.775 -1.418) 2.418 2.366 ( -0.830 1.775 -1.418) 2.418 2.485 ( 0.139 -0.703 -1.265) 1.453 2.485 ( 0.139 0.703 -1.265) 1.453 2.544 ( 1.250 -1.101 -1.276) 2.099 2.544 ( 1.250 1.101 -1.276) 2.099 2.633 ( -1.262 -0.878 -2.507) 2.941 2.633 ( -1.262 0.878 -2.507) 2.941 2.740 ( 0.065 -1.177 -0.798) 1.423 2.740 ( 0.065 1.177 -0.798) 1.423 2.979 ( -0.123 -3.398 4.162) 5.374 2.979 ( -0.123 3.398 4.162) 5.374 3.057 ( 2.009 -1.430 2.071) 3.220 3.057 ( 2.009 1.430 2.071) 3.220 3.452 ( -1.178 -0.545 -1.251) 1.802 3.452 ( -1.178 0.545 -1.251) 1.802 3.505 ( -1.627 -1.132 -0.928) 2.189 3.505 ( -1.627 1.132 -0.928) 2.189 3.574 ( 0.405 -0.453 0.966) 1.141 3.574 ( 0.405 0.453 0.966) 1.141 3.690 ( 1.547 -1.806 -0.186) 2.385 3.690 ( 1.547 1.806 -0.186) 2.385 3.750 ( -0.507 -1.629 0.032) 1.706 3.750 ( -0.507 1.629 0.032) 1.706 3.865 ( 1.923 -1.925 3.913) 4.766 3.865 ( 1.923 1.925 3.913) 4.766 3.929 ( -0.367 -1.124 -1.146) 1.647 3.929 ( -0.367 1.124 -1.146) 1.647 4.284 ( -1.569 -0.666 -0.442) 1.761 4.284 ( -1.569 0.666 -0.442) 1.761 5.495 ( -1.117 -1.913 0.128) 2.219 5.495 ( -1.117 1.913 0.128) 2.219 5.553 ( 1.950 -0.784 -0.788) 2.245 5.553 ( 1.950 0.784 -0.788) 2.245 5.672 ( -0.079 -1.970 0.703) 2.094 5.672 ( -0.079 1.970 0.703) 2.094 5.762 ( -0.406 -0.834 -0.060) 0.930 5.762 ( -0.406 0.834 -0.060) 0.930 5.831 ( 0.951 -0.526 -1.979) 2.257 5.831 ( 0.951 0.526 -1.979) 2.257 ======================= Grid point 95 (49/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -2.061 0.000 -0.330) 2.088 0.575 ( 2.061 0.000 0.330) 2.088 0.754 ( 1.339 0.000 -6.594) 6.728 0.754 ( -1.339 0.000 6.594) 6.728 0.765 ( -2.817 0.000 -0.896) 2.956 0.765 ( 2.817 0.000 0.896) 2.956 0.934 ( -2.090 0.000 -0.845) 2.255 0.934 ( 2.090 0.000 0.845) 2.255 0.988 ( -5.774 0.000 -4.678) 7.432 0.988 ( 5.774 0.000 4.678) 7.432 1.097 ( -4.081 0.000 -0.683) 4.138 1.097 ( 4.081 0.000 0.683) 4.138 1.227 ( -2.742 0.000 0.253) 2.754 1.227 ( 2.742 0.000 -0.253) 2.754 1.244 ( -4.673 0.000 -2.124) 5.134 1.244 ( 4.673 0.000 2.124) 5.134 1.335 ( -0.748 0.000 -2.954) 3.047 1.335 ( 0.748 0.000 2.954) 3.047 1.368 ( -2.783 0.000 -0.112) 2.785 1.368 ( 2.783 0.000 0.112) 2.785 1.480 ( -2.349 0.000 -5.659) 6.127 1.480 ( 2.349 0.000 5.659) 6.127 1.602 ( 1.975 0.000 -1.963) 2.784 1.602 ( -1.975 0.000 1.963) 2.784 1.722 ( -3.371 0.000 -2.943) 4.475 1.722 ( 3.371 0.000 2.943) 4.475 1.737 ( -0.517 0.000 -3.886) 3.920 1.737 ( 0.517 0.000 3.886) 3.920 1.795 ( 2.362 0.000 -2.462) 3.412 1.795 ( -2.362 0.000 2.462) 3.412 1.825 ( -5.312 0.000 -3.934) 6.610 1.825 ( 5.312 0.000 3.934) 6.610 1.889 ( -1.453 0.000 -1.265) 1.927 1.889 ( 1.453 0.000 1.265) 1.927 1.941 ( 0.095 0.000 -2.368) 2.370 1.941 ( -0.095 0.000 2.368) 2.370 1.963 ( 2.314 0.000 -1.435) 2.723 1.963 ( -2.314 0.000 1.435) 2.723 2.118 ( 1.614 0.000 -1.989) 2.562 2.118 ( -1.614 0.000 1.989) 2.562 2.179 ( -0.454 0.000 -1.895) 1.948 2.179 ( 0.454 0.000 1.895) 1.948 2.294 ( -2.284 0.000 -2.050) 3.069 2.294 ( 2.284 0.000 2.050) 3.069 2.438 ( 0.047 0.000 -1.506) 1.507 2.438 ( -0.047 0.000 1.506) 1.507 2.487 ( 0.234 0.000 -0.320) 0.396 2.487 ( -0.234 0.000 0.320) 0.396 2.497 ( -2.625 0.000 -0.884) 2.770 2.497 ( 2.625 0.000 0.884) 2.770 2.587 ( -0.774 0.000 -0.678) 1.029 2.587 ( 0.774 0.000 0.678) 1.029 2.739 ( -0.382 0.000 -0.460) 0.598 2.739 ( 0.382 0.000 0.460) 0.598 2.937 ( -0.065 0.000 -2.303) 2.303 2.937 ( 0.065 0.000 2.303) 2.303 3.159 ( 2.012 0.000 -1.133) 2.310 3.159 ( -2.012 0.000 1.133) 2.310 3.394 ( 1.508 0.000 -0.629) 1.634 3.394 ( -1.508 0.000 0.629) 1.634 3.527 ( 0.328 0.000 -0.561) 0.650 3.527 ( -0.328 0.000 0.561) 0.650 3.582 ( 0.844 0.000 -2.301) 2.451 3.582 ( -0.844 0.000 2.301) 2.451 3.628 ( 0.249 0.000 -1.006) 1.037 3.628 ( -0.249 0.000 1.006) 1.037 3.806 ( 0.904 0.000 -1.377) 1.647 3.806 ( -0.904 0.000 1.377) 1.647 3.922 ( -1.942 0.000 -0.020) 1.943 3.922 ( 1.942 0.000 0.020) 1.943 3.973 ( -0.977 0.000 -0.453) 1.077 3.973 ( 0.977 0.000 0.453) 1.077 4.248 ( 2.808 0.000 -2.685) 3.885 4.248 ( -2.808 0.000 2.685) 3.885 5.485 ( -3.233 0.000 0.011) 3.233 5.485 ( 3.233 0.000 -0.011) 3.233 5.587 ( 0.233 0.000 -1.642) 1.659 5.587 ( -0.233 0.000 1.642) 1.659 5.675 ( -2.467 0.000 -1.226) 2.755 5.675 ( 2.467 0.000 1.226) 2.755 5.742 ( -0.778 0.000 -1.352) 1.560 5.742 ( 0.778 0.000 1.352) 1.560 5.781 ( 0.318 0.000 -0.537) 0.624 5.781 ( -0.318 0.000 0.537) 0.624 ======================= Grid point 97 (50/60) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 3.819 0.000 -2.630) 4.637 0.666 ( 3.219 0.000 -4.504) 5.536 0.667 ( 1.928 0.000 2.909) 3.490 0.687 ( -0.379 0.000 -4.469) 4.485 0.807 ( -3.746 0.000 -4.172) 5.607 0.831 ( -0.193 0.000 4.032) 4.037 0.855 ( 0.403 0.000 -1.103) 1.175 0.927 ( -1.004 0.000 -1.359) 1.690 0.940 ( 1.779 0.000 1.025) 2.053 1.068 ( -0.744 0.000 2.525) 2.632 1.096 ( -3.975 0.000 -4.927) 6.330 1.107 ( 0.482 0.000 -1.668) 1.736 1.134 ( -1.954 0.000 -1.355) 2.378 1.172 ( 0.787 0.000 -7.046) 7.090 1.258 ( 1.194 0.000 -0.038) 1.195 1.276 ( -1.459 0.000 -0.785) 1.656 1.291 ( 3.813 0.000 5.134) 6.395 1.323 ( -2.497 0.000 1.801) 3.079 1.382 ( -1.257 0.000 4.506) 4.678 1.399 ( -0.555 0.000 -0.405) 0.687 1.462 ( 3.458 0.000 -1.097) 3.627 1.500 ( -2.335 0.000 1.386) 2.716 1.587 ( -5.793 0.000 -0.542) 5.818 1.670 ( -4.451 0.000 -4.915) 6.631 1.692 ( 2.851 0.000 0.560) 2.905 1.698 ( 1.253 0.000 -1.658) 2.078 1.707 ( -3.933 0.000 0.268) 3.942 1.737 ( 3.174 0.000 2.998) 4.366 1.756 ( -4.050 0.000 1.879) 4.464 1.792 ( 0.632 0.000 -2.001) 2.099 1.796 ( 1.492 0.000 -0.062) 1.493 1.847 ( -0.379 0.000 0.381) 0.537 1.857 ( -0.455 0.000 -1.359) 1.433 1.904 ( -0.835 0.000 -0.959) 1.272 1.938 ( 2.081 0.000 1.592) 2.620 2.010 ( 2.489 0.000 -0.931) 2.658 2.010 ( 5.402 0.000 5.629) 7.802 2.025 ( 2.888 0.000 2.918) 4.105 2.126 ( -0.334 0.000 3.931) 3.946 2.134 ( 1.615 0.000 -1.260) 2.048 2.178 ( 0.438 0.000 0.322) 0.544 2.218 ( 1.201 0.000 2.901) 3.140 2.244 ( -1.245 0.000 -1.782) 2.174 2.348 ( 1.747 0.000 1.040) 2.034 2.432 ( -0.323 0.000 0.695) 0.766 2.442 ( -2.470 0.000 -1.477) 2.878 2.458 ( 0.304 0.000 2.219) 2.239 2.480 ( 0.044 0.000 -1.361) 1.362 2.485 ( 0.681 0.000 -1.692) 1.824 2.542 ( 1.358 0.000 -0.685) 1.521 2.572 ( 0.179 0.000 0.238) 0.298 2.601 ( 0.544 0.000 -0.061) 0.547 2.724 ( -0.757 0.000 -0.561) 0.942 2.742 ( -0.104 0.000 -0.480) 0.491 2.915 ( -0.420 0.000 -1.162) 1.235 2.951 ( -1.276 0.000 3.385) 3.617 3.107 ( -3.457 0.000 -0.241) 3.465 3.134 ( -2.371 0.000 -2.994) 3.819 3.414 ( 2.052 0.000 1.556) 2.575 3.444 ( 3.644 0.000 0.276) 3.654 3.509 ( -0.841 0.000 -1.607) 1.814 3.521 ( -0.565 0.000 0.990) 1.140 3.577 ( -1.913 0.000 1.032) 2.173 3.583 ( 0.423 0.000 -0.915) 1.008 3.635 ( 1.140 0.000 0.100) 1.145 3.641 ( 0.190 0.000 2.391) 2.398 3.793 ( -1.348 0.000 -0.968) 1.660 3.801 ( 0.518 0.000 -3.108) 3.151 3.886 ( -1.150 0.000 0.820) 1.412 3.924 ( -0.611 0.000 -3.594) 3.645 3.934 ( -2.274 0.000 -1.020) 2.492 3.973 ( -0.479 0.000 1.122) 1.220 4.266 ( 1.842 0.000 2.544) 3.140 4.291 ( 3.778 0.000 -2.513) 4.537 5.449 ( -0.943 0.000 0.368) 1.012 5.544 ( -3.408 0.000 0.195) 3.414 5.551 ( -1.305 0.000 -2.252) 2.603 5.553 ( 3.997 0.000 -0.170) 4.000 5.667 ( -0.272 0.000 -0.926) 0.965 5.720 ( -0.033 0.000 0.822) 0.823 5.747 ( 0.240 0.000 2.502) 2.514 5.754 ( 0.688 0.000 2.234) 2.337 5.776 ( -0.066 0.000 -0.847) 0.850 5.780 ( 0.367 0.000 0.067) 0.373 ======================= Grid point 98 (51/60) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 0.237 0.000 -6.529) 6.533 0.620 ( -0.794 0.000 -3.056) 3.158 0.692 ( 5.266 0.000 4.926) 7.211 0.783 ( 1.631 0.000 -0.550) 1.721 0.784 ( 1.396 0.000 -4.108) 4.339 0.822 ( -1.324 0.000 -0.264) 1.351 0.865 ( 6.148 0.000 3.318) 6.986 0.900 ( -0.741 0.000 0.167) 0.760 0.988 ( 0.440 0.000 4.150) 4.173 0.997 ( -3.075 0.000 -5.843) 6.603 1.034 ( -0.650 0.000 -1.504) 1.638 1.078 ( -1.575 0.000 -6.864) 7.042 1.139 ( -1.891 0.000 -0.710) 2.020 1.150 ( 6.647 0.000 1.409) 6.795 1.279 ( 0.936 0.000 0.043) 0.937 1.288 ( 3.750 0.000 0.310) 3.762 1.294 ( -2.704 0.000 1.689) 3.188 1.367 ( -5.159 0.000 5.573) 7.594 1.371 ( -1.465 0.000 -0.557) 1.568 1.441 ( -2.775 0.000 -2.255) 3.575 1.448 ( -2.392 0.000 -1.494) 2.820 1.470 ( 0.587 0.000 5.294) 5.326 1.508 ( 2.340 0.000 -2.945) 3.761 1.549 ( -4.290 0.000 -1.095) 4.428 1.612 ( -4.456 0.000 0.214) 4.461 1.673 ( -4.288 0.000 0.474) 4.314 1.680 ( 0.569 0.000 -3.493) 3.539 1.717 ( -1.791 0.000 0.970) 2.037 1.742 ( 0.178 0.000 -1.558) 1.569 1.779 ( -0.856 0.000 -2.527) 2.668 1.863 ( 0.363 0.000 1.317) 1.366 1.864 ( 2.022 0.000 -1.401) 2.459 1.912 ( 2.848 0.000 2.747) 3.957 1.934 ( 2.707 0.000 3.095) 4.112 1.996 ( 2.249 0.000 1.588) 2.753 2.040 ( 2.979 0.000 1.083) 3.170 2.048 ( -1.263 0.000 -0.659) 1.424 2.114 ( 2.331 0.000 1.331) 2.684 2.155 ( 0.824 0.000 0.532) 0.980 2.175 ( 1.125 0.000 3.072) 3.272 2.197 ( 1.500 0.000 0.272) 1.525 2.225 ( 0.428 0.000 0.341) 0.548 2.259 ( 0.527 0.000 1.769) 1.846 2.333 ( -3.085 0.000 -1.129) 3.285 2.399 ( -0.228 0.000 -0.848) 0.879 2.463 ( 1.324 0.000 3.262) 3.521 2.468 ( -0.764 0.000 -0.280) 0.814 2.473 ( 0.580 0.000 -0.908) 1.077 2.486 ( 0.736 0.000 -0.837) 1.114 2.531 ( -0.692 0.000 -0.971) 1.192 2.593 ( 0.586 0.000 0.694) 0.909 2.606 ( 0.520 0.000 -1.231) 1.337 2.709 ( -0.561 0.000 0.541) 0.780 2.730 ( -0.118 0.000 -1.538) 1.543 2.913 ( 1.058 0.000 -0.367) 1.120 2.954 ( -1.548 0.000 3.109) 3.473 3.053 ( -2.116 0.000 -0.513) 2.177 3.059 ( -2.630 0.000 -2.420) 3.574 3.467 ( 2.130 0.000 1.615) 2.673 3.479 ( 0.148 0.000 -0.839) 0.852 3.517 ( 2.438 0.000 0.061) 2.438 3.522 ( -1.361 0.000 0.329) 1.400 3.547 ( -0.737 0.000 1.391) 1.574 3.574 ( -0.023 0.000 -1.382) 1.383 3.664 ( 1.046 0.000 1.693) 1.990 3.677 ( 1.008 0.000 2.966) 3.133 3.743 ( -1.581 0.000 -2.613) 3.054 3.765 ( -0.895 0.000 -4.494) 4.582 3.868 ( -0.850 0.000 -4.425) 4.506 3.880 ( -2.631 0.000 -0.806) 2.751 3.913 ( 1.314 0.000 3.019) 3.293 3.978 ( 0.001 0.000 -0.132) 0.132 4.320 ( 1.351 0.000 2.028) 2.437 4.326 ( 2.400 0.000 -2.044) 3.152 5.455 ( 0.860 0.000 0.475) 0.983 5.492 ( -2.427 0.000 0.587) 2.497 5.521 ( 0.165 0.000 -1.308) 1.318 5.614 ( -1.819 0.000 -0.886) 2.023 5.628 ( 3.009 0.000 -1.968) 3.596 5.724 ( -2.974 0.000 1.749) 3.450 5.757 ( 1.775 0.000 1.774) 2.509 5.769 ( 0.175 0.000 -0.831) 0.850 5.775 ( -0.441 0.000 0.793) 0.908 5.804 ( 0.281 0.000 1.259) 1.290 ======================= Grid point 99 (52/60) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( -0.269 0.000 -1.282) 1.310 0.583 ( 0.269 0.000 1.282) 1.310 0.780 ( 1.179 0.000 -0.733) 1.389 0.780 ( -1.179 0.000 0.733) 1.389 0.851 ( -4.687 0.000 0.303) 4.696 0.851 ( 4.687 0.000 -0.303) 4.696 0.859 ( -4.708 0.000 -6.948) 8.393 0.859 ( 4.708 0.000 6.948) 8.393 0.970 ( 3.096 0.000 -2.589) 4.036 0.970 ( -3.096 0.000 2.589) 4.036 1.072 ( -0.880 0.000 -2.086) 2.264 1.072 ( 0.880 0.000 2.086) 2.264 1.155 ( -7.659 0.000 -1.534) 7.811 1.155 ( 7.659 0.000 1.534) 7.811 1.296 ( -4.064 0.000 -2.611) 4.830 1.296 ( 4.064 0.000 2.611) 4.830 1.313 ( -3.468 0.000 -0.300) 3.481 1.313 ( 3.468 0.000 0.300) 3.481 1.379 ( 0.448 0.000 -3.702) 3.729 1.379 ( -0.448 0.000 3.702) 3.729 1.412 ( -2.170 0.000 -0.568) 2.243 1.412 ( 2.170 0.000 0.568) 2.243 1.551 ( -2.569 0.000 -0.026) 2.569 1.551 ( 2.569 0.000 0.026) 2.569 1.610 ( -4.370 0.000 -0.405) 4.388 1.610 ( 4.370 0.000 0.405) 4.388 1.680 ( -1.683 0.000 -0.354) 1.720 1.680 ( 1.683 0.000 0.354) 1.720 1.748 ( -0.975 0.000 -0.184) 0.992 1.748 ( 0.975 0.000 0.184) 0.992 1.874 ( 0.567 0.000 -1.961) 2.041 1.874 ( -0.567 0.000 1.961) 2.041 1.960 ( -0.050 0.000 -1.812) 1.812 1.960 ( 0.050 0.000 1.812) 1.812 2.011 ( -1.121 0.000 -0.368) 1.180 2.011 ( 1.121 0.000 0.368) 1.180 2.136 ( -1.518 0.000 -0.394) 1.569 2.136 ( 1.518 0.000 0.394) 1.569 2.164 ( -0.627 0.000 -3.145) 3.206 2.164 ( 0.627 0.000 3.145) 3.206 2.239 ( -2.851 0.000 -0.446) 2.885 2.239 ( 2.851 0.000 0.446) 2.885 2.267 ( -2.612 0.000 -1.284) 2.910 2.267 ( 2.612 0.000 1.284) 2.910 2.430 ( -2.279 0.000 -1.520) 2.739 2.430 ( 2.279 0.000 1.520) 2.739 2.482 ( -0.527 0.000 -0.482) 0.714 2.482 ( 0.527 0.000 0.482) 0.714 2.508 ( -0.890 0.000 -1.716) 1.933 2.508 ( 0.890 0.000 1.716) 1.933 2.601 ( 0.463 0.000 -1.479) 1.549 2.601 ( -0.463 0.000 1.479) 1.549 2.715 ( 0.152 0.000 -1.792) 1.799 2.715 ( -0.152 0.000 1.792) 1.799 2.939 ( -1.989 0.000 0.641) 2.090 2.939 ( 1.989 0.000 -0.641) 2.090 3.027 ( -0.206 0.000 -0.178) 0.272 3.027 ( 0.206 0.000 0.178) 0.272 3.488 ( -1.459 0.000 0.110) 1.463 3.488 ( 1.459 0.000 -0.110) 1.463 3.514 ( -1.474 0.000 -1.319) 1.978 3.514 ( 1.474 0.000 1.319) 1.978 3.568 ( 0.527 0.000 -2.937) 2.984 3.568 ( -0.527 0.000 2.937) 2.984 3.705 ( -0.836 0.000 -4.185) 4.268 3.705 ( 0.836 0.000 4.185) 4.268 3.712 ( -0.319 0.000 -1.410) 1.446 3.712 ( 0.319 0.000 1.410) 1.446 3.841 ( 1.184 0.000 -1.302) 1.760 3.841 ( -1.184 0.000 1.302) 1.760 3.961 ( -0.942 0.000 -2.214) 2.406 3.961 ( 0.942 0.000 2.214) 2.406 4.339 ( 0.870 0.000 -1.750) 1.954 4.339 ( -0.870 0.000 1.750) 1.954 5.469 ( 1.025 0.000 -0.718) 1.252 5.469 ( -1.025 0.000 0.718) 1.252 5.549 ( -2.817 0.000 -1.084) 3.019 5.549 ( 2.817 0.000 1.084) 3.019 5.681 ( 3.514 0.000 -1.553) 3.842 5.681 ( -3.514 0.000 1.553) 3.842 5.770 ( 0.702 0.000 -0.738) 1.019 5.770 ( -0.702 0.000 0.738) 1.019 5.796 ( -1.260 0.000 -0.640) 1.414 5.796 ( 1.260 0.000 0.640) 1.414 ======================= Grid point 103 (53/60) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( -2.298 2.362 -2.866) 4.367 0.603 ( 2.298 2.362 2.866) 4.367 0.709 ( 0.620 -2.731 -1.131) 3.020 0.709 ( -0.620 -2.731 1.131) 3.020 0.775 ( -3.124 -0.741 -4.977) 5.923 0.775 ( 3.124 -0.741 4.977) 5.923 0.917 ( -2.861 0.434 -2.231) 3.654 0.917 ( 2.861 0.434 2.231) 3.654 1.004 ( -3.300 0.758 -3.253) 4.695 1.004 ( 3.300 0.758 3.253) 4.695 1.084 ( -4.320 -1.463 -0.790) 4.629 1.084 ( 4.320 -1.463 0.790) 4.629 1.156 ( -1.155 -5.619 -0.751) 5.785 1.156 ( 1.155 -5.619 0.751) 5.785 1.258 ( -2.697 1.377 -2.609) 3.997 1.258 ( 2.697 1.377 2.609) 3.997 1.322 ( 1.023 -1.409 -1.871) 2.556 1.322 ( -1.023 -1.409 1.871) 2.556 1.395 ( -0.442 2.209 -1.688) 2.815 1.395 ( 0.442 2.209 1.688) 2.815 1.514 ( 0.634 2.318 -3.504) 4.249 1.514 ( -0.634 2.318 3.504) 4.249 1.594 ( -3.272 0.098 0.545) 3.319 1.594 ( 3.272 0.098 -0.545) 3.319 1.725 ( -2.158 -1.977 -0.635) 2.995 1.725 ( 2.158 -1.977 0.635) 2.995 1.753 ( -2.615 1.721 -0.839) 3.241 1.753 ( 2.615 1.721 0.839) 3.241 1.782 ( 2.252 0.502 -1.808) 2.931 1.782 ( -2.252 0.502 1.808) 2.931 1.848 ( -3.379 1.399 -1.921) 4.131 1.848 ( 3.379 1.399 1.921) 4.131 1.895 ( 0.586 0.215 -2.172) 2.260 1.895 ( -0.586 0.215 2.172) 2.260 1.932 ( 0.691 0.068 -2.001) 2.118 1.932 ( -0.691 0.068 2.001) 2.118 1.973 ( -0.408 0.956 -2.005) 2.258 1.973 ( 0.408 0.956 2.005) 2.258 2.115 ( -0.699 -0.759 -1.814) 2.087 2.115 ( 0.699 -0.759 1.814) 2.087 2.172 ( -0.569 -0.679 -3.386) 3.500 2.172 ( 0.569 -0.679 3.386) 3.500 2.289 ( -2.308 -0.228 -1.753) 2.908 2.289 ( 2.308 -0.228 1.753) 2.908 2.409 ( 1.558 -3.811 -1.417) 4.354 2.409 ( -1.558 -3.811 1.417) 4.354 2.460 ( 0.980 0.737 -2.660) 2.929 2.460 ( -0.980 0.737 2.660) 2.929 2.502 ( -1.058 -0.355 -0.726) 1.331 2.502 ( 1.058 -0.355 0.726) 1.331 2.610 ( 0.372 0.906 -0.772) 1.247 2.610 ( -0.372 0.906 0.772) 1.247 2.730 ( -0.459 -0.388 -0.654) 0.888 2.730 ( 0.459 -0.388 0.654) 0.888 2.994 ( 0.428 4.984 -2.358) 5.531 2.994 ( -0.428 4.984 2.358) 5.531 3.144 ( 1.607 -1.694 -1.341) 2.693 3.144 ( -1.607 -1.694 1.341) 2.693 3.400 ( -0.029 0.631 -0.505) 0.809 3.400 ( 0.029 0.631 0.505) 0.809 3.506 ( -0.421 -1.871 -0.501) 1.982 3.506 ( 0.421 -1.871 0.501) 1.982 3.590 ( 0.430 0.550 -0.992) 1.213 3.590 ( -0.430 0.550 0.992) 1.213 3.648 ( -0.484 2.083 -1.054) 2.384 3.648 ( 0.484 2.083 1.054) 2.384 3.792 ( -0.071 -1.499 -0.605) 1.619 3.792 ( 0.071 -1.499 0.605) 1.619 3.909 ( -0.542 -0.997 -0.850) 1.418 3.909 ( 0.542 -0.997 0.850) 1.418 3.973 ( -0.462 0.004 -0.717) 0.853 3.973 ( 0.462 0.004 0.717) 0.853 4.246 ( 1.891 -0.160 -1.815) 2.626 4.246 ( -1.891 -0.160 1.815) 2.626 5.481 ( -2.234 -0.315 0.076) 2.257 5.481 ( 2.234 -0.315 -0.076) 2.257 5.595 ( -0.188 0.746 -1.110) 1.351 5.595 ( 0.188 0.746 1.110) 1.351 5.667 ( -1.284 -0.691 -0.888) 1.708 5.667 ( 1.284 -0.691 0.888) 1.708 5.756 ( -0.645 1.159 0.059) 1.327 5.756 ( 0.645 1.159 -0.059) 1.327 5.779 ( 0.085 -0.197 -0.842) 0.869 5.779 ( -0.085 -0.197 0.842) 0.869 ======================= Grid point 105 (54/60) ======================= q-point: ( 0.17 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 1.674 -0.251 -1.402) 2.198 0.634 ( -2.260 -2.872 -0.163) 3.658 0.670 ( 0.552 0.649 -7.747) 7.794 0.715 ( 0.719 -1.557 0.240) 1.732 0.768 ( 4.490 1.911 -1.068) 4.995 0.815 ( -2.523 -0.833 -1.057) 2.859 0.884 ( -4.541 0.314 0.283) 4.560 0.920 ( 6.762 -1.726 2.708) 7.486 0.950 ( -1.094 1.980 -1.937) 2.978 1.036 ( -2.341 -2.199 2.151) 3.866 1.069 ( -5.133 -1.894 -0.145) 5.473 1.102 ( 2.974 -1.083 -0.152) 3.168 1.115 ( -0.705 -1.418 -3.870) 4.182 1.194 ( -0.946 1.619 -8.319) 8.528 1.198 ( 2.106 -3.568 1.044) 4.272 1.264 ( 2.161 -1.522 3.941) 4.745 1.316 ( 0.470 1.513 -1.321) 2.063 1.339 ( -1.314 0.427 2.260) 2.649 1.387 ( 0.836 1.504 2.037) 2.666 1.432 ( 1.313 -0.864 0.144) 1.579 1.460 ( -3.442 3.487 -0.725) 4.953 1.504 ( -1.694 0.692 0.881) 2.031 1.585 ( -4.158 -1.476 0.417) 4.432 1.619 ( -4.725 -3.571 -4.397) 7.376 1.685 ( -0.548 -0.801 -0.128) 0.979 1.706 ( 0.382 1.335 0.098) 1.392 1.714 ( -0.944 -0.898 0.212) 1.319 1.726 ( 0.550 1.254 -0.960) 1.673 1.795 ( -0.137 0.954 -1.835) 2.073 1.817 ( 2.752 1.192 2.796) 4.100 1.836 ( 0.184 4.275 -0.327) 4.291 1.868 ( 0.703 1.936 -0.358) 2.090 1.885 ( -0.531 3.280 -0.167) 3.327 1.907 ( 0.642 0.717 -0.600) 1.134 1.934 ( 0.659 0.329 1.466) 1.641 1.981 ( 2.129 -2.397 -0.178) 3.210 2.011 ( 3.637 -0.606 3.535) 5.108 2.027 ( 2.190 -0.214 3.702) 4.307 2.111 ( 1.471 -1.596 1.265) 2.512 2.144 ( 0.751 1.293 0.711) 1.656 2.154 ( 0.208 -2.686 0.474) 2.736 2.221 ( 0.881 -0.528 3.575) 3.720 2.242 ( -1.282 0.793 -0.934) 1.773 2.351 ( 2.506 0.200 1.330) 2.844 2.376 ( -2.159 -5.234 0.060) 5.662 2.404 ( 0.075 -2.774 -3.040) 4.116 2.459 ( 0.609 1.124 -1.465) 1.944 2.473 ( -0.112 1.428 2.573) 2.945 2.492 ( 0.043 -0.348 -0.084) 0.360 2.532 ( 1.051 -0.980 0.855) 1.672 2.611 ( -0.040 1.289 -0.052) 1.291 2.613 ( 0.723 0.795 -0.159) 1.086 2.716 ( -0.352 -0.006 -0.509) 0.619 2.739 ( 0.065 -0.268 0.423) 0.505 2.966 ( -1.115 4.692 -1.728) 5.123 2.993 ( -1.657 3.677 1.822) 4.426 3.100 ( -3.167 -0.807 -0.060) 3.269 3.119 ( -2.027 -1.689 -2.933) 3.945 3.419 ( 1.921 0.602 1.211) 2.349 3.448 ( 3.497 0.164 0.900) 3.615 3.489 ( -0.729 -1.376 -0.834) 1.766 3.511 ( -0.025 -1.219 0.744) 1.428 3.580 ( -1.362 0.370 0.579) 1.526 3.587 ( -0.487 0.235 -0.342) 0.640 3.634 ( -0.506 1.119 0.379) 1.285 3.678 ( 1.121 2.000 1.361) 2.666 3.769 ( -0.848 -1.495 -1.761) 2.461 3.801 ( 0.725 -0.659 -1.728) 1.986 3.891 ( -0.742 0.419 0.720) 1.115 3.921 ( -0.481 -0.550 -1.520) 1.686 3.930 ( -2.009 -0.194 -2.178) 2.970 3.957 ( -0.713 -1.441 -0.716) 1.760 4.267 ( 1.795 0.140 2.034) 2.717 4.284 ( 3.182 -0.662 -1.450) 3.559 5.461 ( -0.098 1.354 0.285) 1.387 5.531 ( 2.684 -1.741 -0.292) 3.213 5.551 ( -2.281 0.606 -0.527) 2.418 5.561 ( -1.782 0.456 -1.800) 2.574 5.667 ( -0.061 0.180 -0.591) 0.621 5.701 ( 0.710 -1.420 0.894) 1.822 5.751 ( -0.656 0.268 0.757) 1.037 5.765 ( -0.054 0.301 1.527) 1.557 5.781 ( 0.747 0.440 0.818) 1.192 5.785 ( -0.198 0.650 0.717) 0.988 ======================= Grid point 106 (55/60) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( -0.006 -1.640 -4.235) 4.542 0.618 ( 0.046 0.047 -1.076) 1.078 0.647 ( 3.945 -1.720 0.064) 4.305 0.696 ( 2.502 -5.611 -1.255) 6.271 0.765 ( -2.272 -3.942 -0.960) 4.651 0.796 ( -2.889 -2.321 -0.067) 3.707 0.914 ( 5.900 2.202 -0.905) 6.363 0.935 ( -0.196 3.197 1.017) 3.361 0.993 ( -3.297 0.484 1.473) 3.643 1.004 ( -1.572 -1.745 0.988) 2.548 1.020 ( -0.817 3.184 -5.828) 6.691 1.074 ( 2.463 -0.878 -2.837) 3.858 1.113 ( -0.640 -2.302 0.572) 2.457 1.155 ( 5.785 -0.143 -0.692) 5.828 1.274 ( 2.021 -0.407 1.280) 2.427 1.292 ( -0.035 1.037 0.688) 1.245 1.327 ( 0.735 1.618 2.410) 2.994 1.364 ( -0.378 0.564 0.860) 1.095 1.376 ( -3.664 -0.300 -0.493) 3.710 1.427 ( -2.458 -0.293 0.228) 2.486 1.451 ( -2.703 0.051 0.262) 2.716 1.468 ( 1.138 -0.787 2.148) 2.556 1.495 ( -0.340 -1.190 -2.373) 2.677 1.521 ( -3.148 -1.789 0.220) 3.627 1.628 ( -3.563 1.285 -2.125) 4.343 1.663 ( -2.296 -0.166 -1.667) 2.842 1.688 ( -1.374 0.272 -3.360) 3.640 1.714 ( -1.174 -0.197 -1.472) 1.893 1.793 ( -0.079 1.798 -0.810) 1.974 1.811 ( -1.793 5.615 1.194) 6.014 1.873 ( 0.793 1.126 -0.025) 1.377 1.901 ( 1.705 3.268 -1.313) 3.913 1.916 ( 1.965 -0.285 3.073) 3.658 1.942 ( 1.559 0.383 1.166) 1.985 1.979 ( 1.230 -1.036 1.181) 1.995 2.014 ( 2.807 -0.632 3.153) 4.268 2.053 ( -0.210 -1.871 0.821) 2.054 2.101 ( 3.688 -2.374 1.280) 4.569 2.148 ( 0.930 -0.434 0.270) 1.061 2.174 ( 1.683 -0.778 0.857) 2.043 2.183 ( 0.891 0.065 2.126) 2.306 2.225 ( 0.122 0.483 0.760) 0.909 2.271 ( 1.162 0.904 2.549) 2.944 2.318 ( -2.781 -1.820 -1.387) 3.601 2.365 ( -1.007 -2.696 -2.480) 3.799 2.406 ( 0.674 -2.573 0.450) 2.697 2.461 ( 0.429 0.493 0.791) 1.026 2.482 ( -0.367 0.454 0.123) 0.597 2.497 ( 0.494 0.144 0.616) 0.803 2.540 ( -0.405 -0.612 -0.446) 0.859 2.613 ( 0.371 1.436 0.223) 1.500 2.626 ( 0.332 1.883 0.001) 1.912 2.715 ( 0.365 0.566 0.418) 0.792 2.740 ( -0.118 0.253 -0.213) 0.351 2.944 ( 0.228 3.073 -0.865) 3.201 2.978 ( -1.539 2.328 1.507) 3.172 3.048 ( -2.122 -0.813 -1.344) 2.640 3.054 ( -2.203 -0.583 -1.423) 2.686 3.464 ( 1.736 -0.201 1.062) 2.045 3.475 ( 0.167 -0.603 -0.220) 0.663 3.512 ( 1.436 0.147 0.186) 1.456 3.525 ( 0.599 0.062 1.003) 1.170 3.557 ( -0.859 0.659 0.819) 1.357 3.572 ( -0.315 -0.207 -0.826) 0.908 3.644 ( 0.464 -0.170 2.268) 2.321 3.700 ( -0.223 -0.808 1.214) 1.475 3.740 ( 0.152 1.563 -2.415) 2.881 3.777 ( -0.660 0.528 -3.618) 3.715 3.863 ( -1.255 -0.255 -3.537) 3.762 3.878 ( -2.386 -0.297 -1.295) 2.731 3.914 ( 1.204 0.197 2.114) 2.441 3.961 ( 0.393 -1.698 -0.097) 1.745 4.314 ( 1.307 -0.480 1.509) 2.053 4.319 ( 2.021 -0.645 -1.283) 2.479 5.473 ( 0.647 1.713 -0.153) 1.838 5.497 ( -2.244 0.402 0.217) 2.290 5.527 ( 0.460 0.725 -0.772) 1.155 5.600 ( 3.448 -2.142 -0.387) 4.077 5.630 ( -2.156 1.099 -1.708) 2.962 5.699 ( -2.046 -2.054 0.893) 3.034 5.762 ( 1.026 0.230 0.955) 1.420 5.771 ( -0.094 -0.107 0.380) 0.406 5.782 ( -0.420 0.892 0.683) 1.200 5.804 ( -0.145 -0.139 1.320) 1.336 ======================= Grid point 107 (56/60) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 0.990 0.304 -3.182) 3.346 0.584 ( -0.990 0.304 3.182) 3.346 0.722 ( -0.262 -4.704 -3.251) 5.724 0.722 ( 0.262 -4.704 3.251) 5.724 0.775 ( 4.049 -4.933 -2.952) 7.032 0.775 ( -4.049 -4.933 2.952) 7.032 0.899 ( -0.880 1.826 0.043) 2.028 0.899 ( 0.880 1.826 -0.043) 2.028 0.975 ( 0.872 0.920 -3.672) 3.885 0.975 ( -0.872 0.920 3.672) 3.885 1.051 ( -2.245 -2.263 -2.979) 4.363 1.051 ( 2.245 -2.263 2.979) 4.363 1.201 ( -6.639 3.125 -1.544) 7.499 1.201 ( 6.639 3.125 1.544) 7.499 1.287 ( -2.502 -1.213 -0.274) 2.794 1.287 ( 2.502 -1.213 0.274) 2.794 1.320 ( -3.682 2.032 -1.181) 4.368 1.320 ( 3.682 2.032 1.181) 4.368 1.382 ( 0.320 0.085 -2.943) 2.961 1.382 ( -0.320 0.085 2.943) 2.961 1.447 ( -0.482 2.235 -2.688) 3.529 1.447 ( 0.482 2.235 2.688) 3.529 1.525 ( -2.227 -1.868 -2.048) 3.556 1.525 ( 2.227 -1.868 2.048) 3.556 1.590 ( -3.258 -1.676 -3.414) 5.008 1.590 ( 3.258 -1.676 3.414) 5.008 1.678 ( -0.986 -0.041 -0.409) 1.068 1.678 ( 0.986 -0.041 0.409) 1.068 1.792 ( 1.478 4.079 -1.275) 4.522 1.792 ( -1.478 4.079 1.275) 4.522 1.897 ( -0.459 1.854 -1.764) 2.599 1.897 ( 0.459 1.854 1.764) 2.599 1.947 ( -0.033 -1.265 -1.846) 2.238 1.947 ( 0.033 -1.265 1.846) 2.238 2.008 ( -1.263 -0.710 -1.349) 1.980 2.008 ( 1.263 -0.710 1.349) 1.980 2.131 ( -1.301 -1.866 -3.344) 4.045 2.131 ( 1.301 -1.866 3.344) 4.045 2.164 ( -2.016 1.439 -0.904) 2.637 2.164 ( 2.016 1.439 0.904) 2.637 2.237 ( -2.888 -1.636 -0.367) 3.339 2.237 ( 2.888 -1.636 0.367) 3.339 2.266 ( -1.416 1.665 0.207) 2.195 2.266 ( 1.416 1.665 -0.207) 2.195 2.379 ( -1.148 -4.031 -1.724) 4.532 2.379 ( 1.148 -4.031 1.724) 4.532 2.478 ( 0.079 0.374 -0.989) 1.060 2.478 ( -0.079 0.374 0.989) 1.060 2.518 ( -1.025 -0.298 -1.109) 1.539 2.518 ( 1.025 -0.298 1.109) 1.539 2.623 ( 0.392 2.172 -1.560) 2.703 2.623 ( -0.392 2.172 1.560) 2.703 2.730 ( 0.212 0.657 -1.632) 1.772 2.730 ( -0.212 0.657 1.632) 1.772 2.958 ( 0.210 2.033 -0.876) 2.224 2.958 ( -0.210 2.033 0.876) 2.224 3.024 ( 0.585 -0.484 -0.396) 0.857 3.024 ( -0.585 -0.484 0.396) 0.857 3.485 ( -1.001 -0.288 -0.004) 1.042 3.485 ( 1.001 -0.288 0.004) 1.042 3.516 ( -1.229 0.200 -1.113) 1.671 3.516 ( 1.229 0.200 1.113) 1.671 3.572 ( 0.282 0.233 -1.902) 1.937 3.572 ( -0.282 0.233 1.902) 1.937 3.682 ( -0.823 -0.906 -2.700) 2.964 3.682 ( 0.823 -0.906 2.700) 2.964 3.741 ( -0.121 1.407 -1.403) 1.991 3.741 ( 0.121 1.407 1.403) 1.991 3.839 ( 0.620 -0.136 -0.674) 0.926 3.839 ( -0.620 -0.136 0.674) 0.926 3.952 ( -0.669 -0.801 -1.704) 1.998 3.952 ( 0.669 -0.801 1.704) 1.998 4.332 ( 0.578 -0.676 -1.208) 1.500 4.332 ( -0.578 -0.676 1.208) 1.500 5.475 ( 0.680 0.504 -0.703) 1.100 5.475 ( -0.680 0.504 0.703) 1.100 5.566 ( -2.909 1.772 -1.024) 3.557 5.566 ( 2.909 1.772 1.024) 3.557 5.659 ( -0.101 -2.174 -0.575) 2.251 5.659 ( 0.101 -2.174 0.575) 2.251 5.772 ( 0.253 0.153 -0.495) 0.577 5.772 ( -0.253 0.153 0.495) 0.577 5.796 ( -0.897 -0.030 -0.484) 1.019 5.796 ( 0.897 -0.030 0.484) 1.019 ======================= Grid point 111 (57/60) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 0.000 0.000 0.000) 0.000 0.628 ( -0.000 0.000 0.000) 0.000 0.686 ( -0.000 0.000 0.000) 0.000 0.686 ( 0.000 0.000 0.000) 0.000 0.752 ( 0.000 -0.000 0.000) 0.000 0.752 ( 0.000 0.000 0.000) 0.000 0.956 ( 0.000 -0.000 0.000) 0.000 0.956 ( 0.000 0.000 0.000) 0.000 1.003 ( -0.000 -0.000 0.000) 0.000 1.003 ( 0.000 0.000 0.000) 0.000 1.051 ( 0.000 -0.000 0.000) 0.000 1.051 ( -0.000 0.000 0.000) 0.000 1.096 ( -0.000 0.000 -0.000) 0.000 1.096 ( 0.000 0.000 0.000) 0.000 1.282 ( 0.000 -0.000 0.000) 0.000 1.282 ( 0.000 0.000 0.000) 0.000 1.296 ( -0.000 -0.000 0.000) 0.000 1.296 ( -0.000 0.000 0.000) 0.000 1.426 ( 0.000 0.000 0.000) 0.000 1.426 ( 0.000 -0.000 0.000) 0.000 1.523 ( -0.000 0.000 0.000) 0.000 1.523 ( 0.000 0.000 0.000) 0.000 1.630 ( -0.000 -0.000 -0.000) 0.000 1.630 ( 0.000 0.000 0.000) 0.000 1.669 ( 0.000 0.000 -0.000) 0.000 1.669 ( 0.000 0.000 0.000) 0.000 1.774 ( 0.000 0.000 -0.000) 0.000 1.774 ( -0.000 0.000 0.000) 0.000 1.799 ( 0.000 -0.000 0.000) 0.000 1.799 ( -0.000 0.000 0.000) 0.000 1.867 ( 0.000 0.000 0.000) 0.000 1.867 ( 0.000 0.000 0.000) 0.000 1.876 ( 0.000 -0.000 -0.000) 0.000 1.876 ( -0.000 0.000 0.000) 0.000 1.957 ( 0.000 0.000 0.000) 0.000 1.957 ( 0.000 0.000 0.000) 0.000 1.983 ( -0.000 0.000 0.000) 0.000 1.983 ( 0.000 0.000 0.000) 0.000 2.099 ( 0.000 -0.000 0.000) 0.000 2.099 ( 0.000 0.000 0.000) 0.000 2.161 ( -0.000 -0.000 0.000) 0.000 2.161 ( -0.000 0.000 0.000) 0.000 2.289 ( 0.000 0.000 0.000) 0.000 2.289 ( 0.000 0.000 0.000) 0.000 2.368 ( -0.000 0.000 0.000) 0.000 2.368 ( 0.000 0.000 0.000) 0.000 2.477 ( -0.000 0.000 0.000) 0.000 2.477 ( -0.000 0.000 0.000) 0.000 2.491 ( 0.000 -0.000 -0.000) 0.000 2.491 ( 0.000 0.000 -0.000) 0.000 2.615 ( 0.000 0.000 0.000) 0.000 2.615 ( 0.000 0.000 0.000) 0.000 2.728 ( -0.000 0.000 0.000) 0.000 2.728 ( 0.000 0.000 0.000) 0.000 3.066 ( 0.000 -0.000 0.000) 0.000 3.066 ( -0.000 0.000 0.000) 0.000 3.108 ( 0.000 0.000 0.000) 0.000 3.108 ( 0.000 0.000 0.000) 0.000 3.410 ( 0.000 0.000 0.000) 0.000 3.410 ( -0.000 0.000 0.000) 0.000 3.482 ( 0.000 0.000 0.000) 0.000 3.482 ( 0.000 0.000 0.000) 0.000 3.595 ( 0.000 0.000 0.000) 0.000 3.595 ( 0.000 0.000 0.000) 0.000 3.680 ( -0.000 -0.000 0.000) 0.000 3.680 ( -0.000 0.000 0.000) 0.000 3.767 ( 0.000 -0.000 0.000) 0.000 3.767 ( 0.000 0.000 0.000) 0.000 3.898 ( 0.000 0.000 0.000) 0.000 3.898 ( 0.000 0.000 0.000) 0.000 3.973 ( 0.000 0.000 0.000) 0.000 3.973 ( 0.000 0.000 0.000) 0.000 4.245 ( -0.000 0.000 0.000) 0.000 4.245 ( 0.000 0.000 0.000) 0.000 5.477 ( 0.000 0.000 0.000) 0.000 5.477 ( 0.000 0.000 0.000) 0.000 5.604 ( -0.000 0.000 0.000) 0.000 5.604 ( 0.000 0.000 0.000) 0.000 5.658 ( 0.000 0.000 0.000) 0.000 5.658 ( 0.000 0.000 0.000) 0.000 5.772 ( -0.000 0.000 -0.000) 0.000 5.772 ( -0.000 -0.000 0.000) 0.000 5.774 ( 0.000 -0.000 0.000) 0.000 5.774 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 115 (58/60) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( -0.382 -1.771 -1.124) 2.132 0.587 ( -0.382 1.771 -1.124) 2.132 0.677 ( -1.021 -0.834 -4.665) 4.848 0.677 ( -1.021 0.834 -4.665) 4.848 0.816 ( -1.906 -2.352 0.939) 3.169 0.816 ( -1.906 2.352 0.939) 3.169 0.883 ( 3.959 -2.898 -0.039) 4.907 0.883 ( 3.959 2.898 -0.039) 4.907 0.994 ( -2.603 -2.630 1.201) 3.891 0.994 ( -2.603 2.630 1.201) 3.891 1.061 ( -0.536 -1.671 0.414) 1.803 1.061 ( -0.536 1.671 0.414) 1.803 1.137 ( 2.803 -2.619 -1.896) 4.279 1.137 ( 2.803 2.619 -1.896) 4.279 1.227 ( -0.324 -2.152 -1.972) 2.937 1.227 ( -0.324 2.152 -1.972) 2.937 1.337 ( 1.624 -0.574 1.118) 2.054 1.337 ( 1.624 0.574 1.118) 2.054 1.413 ( -1.169 -0.990 -0.199) 1.545 1.413 ( -1.169 0.990 -0.199) 1.545 1.531 ( -2.402 -3.197 -2.232) 4.580 1.531 ( -2.402 3.197 -2.232) 4.580 1.545 ( -3.553 -3.375 1.518) 5.130 1.545 ( -3.553 3.375 1.518) 5.130 1.693 ( -2.063 -1.140 -1.820) 2.978 1.693 ( -2.063 1.140 -1.820) 2.978 1.737 ( -0.540 -1.152 -1.064) 1.659 1.737 ( -0.540 1.152 -1.064) 1.659 1.807 ( 3.410 -0.960 1.680) 3.921 1.807 ( 3.410 0.960 1.680) 3.921 1.892 ( 2.234 -0.526 -2.020) 3.058 1.892 ( 2.234 0.526 -2.020) 3.058 1.920 ( 0.959 -0.730 1.177) 1.684 1.920 ( 0.959 0.730 1.177) 1.684 1.965 ( 0.578 -1.139 1.316) 1.833 1.965 ( 0.578 1.139 1.316) 1.833 1.998 ( -0.343 -2.236 2.511) 3.380 1.998 ( -0.343 2.236 2.511) 3.380 2.102 ( 1.624 -1.527 0.555) 2.297 2.102 ( 1.624 1.527 0.555) 2.297 2.183 ( 0.803 -2.705 1.829) 3.363 2.183 ( 0.803 2.705 1.829) 3.363 2.287 ( -0.962 -3.542 1.529) 3.976 2.287 ( -0.962 3.542 1.529) 3.976 2.370 ( 1.093 -1.231 -1.381) 2.148 2.370 ( 1.093 1.231 -1.381) 2.148 2.479 ( 0.057 -0.932 -0.512) 1.065 2.479 ( 0.057 0.932 -0.512) 1.065 2.506 ( 0.316 -1.787 2.017) 2.713 2.506 ( 0.316 1.787 2.017) 2.713 2.617 ( 0.686 -0.316 -0.296) 0.812 2.617 ( 0.686 0.316 -0.296) 0.812 2.729 ( -0.129 -0.896 0.382) 0.983 2.729 ( -0.129 0.896 0.382) 0.983 3.039 ( -2.040 -1.027 -0.996) 2.492 3.039 ( -2.040 1.027 -0.996) 2.492 3.083 ( -2.010 -0.557 -1.110) 2.363 3.083 ( -2.010 0.557 -1.110) 2.363 3.436 ( 1.897 -1.203 0.610) 2.328 3.436 ( 1.897 1.203 0.610) 2.328 3.486 ( 0.600 -1.099 0.823) 1.498 3.486 ( 0.600 1.099 0.823) 1.498 3.587 ( -1.053 -0.267 0.099) 1.091 3.587 ( -1.053 0.267 0.099) 1.091 3.671 ( -0.852 -2.345 0.139) 2.499 3.671 ( -0.852 2.345 0.139) 2.499 3.776 ( 1.086 -1.806 -1.004) 2.335 3.776 ( 1.086 1.806 -1.004) 2.335 3.903 ( -0.004 -0.992 0.809) 1.280 3.903 ( -0.004 0.992 0.809) 1.280 3.936 ( -1.717 -0.727 -3.172) 3.679 3.936 ( -1.717 0.727 -3.172) 3.679 4.272 ( 2.178 -0.512 0.558) 2.306 4.272 ( 2.178 0.512 0.558) 2.306 5.494 ( 1.686 -2.088 0.051) 2.685 5.494 ( 1.686 2.088 0.051) 2.685 5.562 ( -2.334 -0.387 -1.443) 2.771 5.562 ( -2.334 0.387 -1.443) 2.771 5.678 ( 0.395 -1.020 0.159) 1.105 5.678 ( 0.395 1.020 0.159) 1.105 5.759 ( -0.302 -0.553 0.352) 0.722 5.759 ( -0.302 0.553 0.352) 0.722 5.791 ( -0.055 -0.190 1.664) 1.676 5.791 ( -0.055 0.190 1.664) 1.676 ======================= Grid point 117 (59/60) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( -0.084 -2.591 0.110) 2.594 0.596 ( -0.084 2.591 0.110) 2.594 0.636 ( 2.684 -1.859 -2.442) 4.077 0.636 ( 2.684 1.859 -2.442) 4.077 0.739 ( -3.000 -2.105 -1.678) 4.030 0.739 ( -3.000 2.105 -1.678) 4.030 0.950 ( 0.902 -1.866 0.273) 2.090 0.950 ( 0.902 1.866 0.273) 2.090 1.009 ( -2.248 -1.447 -1.360) 3.000 1.009 ( -2.248 1.447 -1.360) 3.000 1.043 ( -1.306 -1.764 0.267) 2.211 1.043 ( -1.306 1.764 0.267) 2.211 1.123 ( 5.655 -3.061 -1.691) 6.648 1.123 ( 5.655 3.061 -1.691) 6.648 1.288 ( 2.250 -1.601 2.589) 3.785 1.288 ( 2.250 1.601 2.589) 3.785 1.353 ( -1.293 -1.769 0.254) 2.206 1.353 ( -1.293 1.769 0.254) 2.206 1.406 ( 1.892 -3.513 1.300) 4.196 1.406 ( 1.892 3.513 1.300) 4.196 1.445 ( -3.934 -0.994 -0.857) 4.148 1.445 ( -3.934 0.994 -0.857) 4.148 1.498 ( -2.093 -1.102 -0.709) 2.469 1.498 ( -2.093 1.102 -0.709) 2.469 1.654 ( -2.233 -1.166 -2.884) 3.829 1.654 ( -2.233 1.166 -2.884) 3.829 1.700 ( -1.169 -1.070 -1.846) 2.433 1.700 ( -1.169 1.070 -1.846) 2.433 1.850 ( 0.940 -3.654 -0.389) 3.793 1.850 ( 0.940 3.654 -0.389) 3.793 1.893 ( -0.879 -2.438 0.435) 2.628 1.893 ( -0.879 2.438 0.435) 2.628 1.968 ( 0.910 -2.123 1.030) 2.529 1.968 ( 0.910 2.123 1.030) 2.529 1.972 ( -0.714 -3.611 0.548) 3.721 1.972 ( -0.714 3.611 0.548) 3.721 2.037 ( 4.077 -3.110 3.033) 5.957 2.037 ( 4.077 3.110 3.033) 5.957 2.153 ( 2.158 -0.973 1.031) 2.582 2.153 ( 2.158 0.973 1.031) 2.582 2.212 ( 0.801 -2.065 1.395) 2.618 2.212 ( 0.801 2.065 1.395) 2.618 2.284 ( -0.274 -0.904 0.737) 1.198 2.284 ( -0.274 0.904 0.737) 1.198 2.367 ( -1.151 -1.965 -1.313) 2.629 2.367 ( -1.151 1.965 -1.313) 2.629 2.474 ( 0.071 -0.803 0.475) 0.935 2.474 ( 0.071 0.803 0.475) 0.935 2.517 ( -0.338 -1.551 0.175) 1.597 2.517 ( -0.338 1.551 0.175) 1.597 2.637 ( 1.094 -0.898 0.716) 1.586 2.637 ( 1.094 0.898 0.716) 1.586 2.730 ( -0.162 -1.050 0.389) 1.132 2.730 ( -0.162 1.050 0.389) 1.132 3.001 ( -0.786 -1.898 -1.082) 2.322 3.001 ( -0.786 1.898 -1.082) 2.322 3.035 ( -2.123 -1.004 -0.786) 2.477 3.035 ( -2.123 1.004 -0.786) 2.477 3.464 ( 1.008 -0.340 0.472) 1.164 3.464 ( 1.008 0.340 0.472) 1.164 3.521 ( 1.233 -0.547 0.850) 1.595 3.521 ( 1.233 0.547 0.850) 1.595 3.566 ( -0.786 -0.394 0.203) 0.903 3.566 ( -0.786 0.394 0.203) 0.903 3.665 ( -0.212 -2.092 1.117) 2.381 3.665 ( -0.212 2.092 1.117) 2.381 3.773 ( 0.151 -1.118 -2.531) 2.771 3.773 ( 0.151 1.118 -2.531) 2.771 3.868 ( -1.861 -0.683 -2.285) 3.025 3.868 ( -1.861 0.683 -2.285) 3.025 3.928 ( 0.935 -1.451 0.653) 1.845 3.928 ( 0.935 1.451 0.653) 1.845 4.310 ( 1.441 -0.153 0.239) 1.469 4.310 ( 1.441 0.153 0.239) 1.469 5.499 ( -1.295 -0.569 -0.756) 1.604 5.499 ( -1.295 0.569 -0.756) 1.604 5.554 ( 2.644 -2.342 0.014) 3.532 5.554 ( 2.644 2.342 0.014) 3.532 5.660 ( -2.011 -2.026 -0.356) 2.877 5.660 ( -2.011 2.026 -0.356) 2.877 5.767 ( 0.430 -0.289 0.491) 0.714 5.767 ( 0.430 0.289 0.491) 0.714 5.797 ( -0.591 -0.611 1.213) 1.481 5.797 ( -0.591 0.611 1.213) 1.481 ======================= Grid point 119 (60/60) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( -0.000 0.000 0.000) 0.000 0.596 ( -0.000 0.000 0.000) 0.000 0.658 ( -0.000 0.000 0.000) 0.000 0.658 ( -0.000 0.000 0.000) 0.000 0.725 ( -0.000 0.000 0.000) 0.000 0.725 ( -0.000 0.000 0.000) 0.000 0.921 ( 0.000 0.000 0.000) 0.000 0.921 ( -0.000 0.000 0.000) 0.000 0.994 ( 0.000 -0.000 -0.000) 0.000 0.994 ( 0.000 0.000 0.000) 0.000 1.011 ( -0.000 0.000 -0.000) 0.000 1.011 ( -0.000 0.000 0.000) 0.000 1.232 ( -0.000 0.000 0.000) 0.000 1.232 ( -0.000 0.000 0.000) 0.000 1.278 ( -0.000 0.000 0.000) 0.000 1.278 ( -0.000 0.000 0.000) 0.000 1.352 ( -0.000 0.000 0.000) 0.000 1.352 ( 0.000 0.000 0.000) 0.000 1.374 ( -0.000 0.000 0.000) 0.000 1.374 ( -0.000 0.000 0.000) 0.000 1.464 ( -0.000 0.000 0.000) 0.000 1.464 ( 0.000 0.000 0.000) 0.000 1.516 ( -0.000 0.000 0.000) 0.000 1.516 ( -0.000 0.000 0.000) 0.000 1.566 ( -0.000 0.000 -0.000) 0.000 1.566 ( -0.000 0.000 0.000) 0.000 1.678 ( -0.000 0.000 0.000) 0.000 1.678 ( -0.000 0.000 0.000) 0.000 1.866 ( -0.000 -0.000 0.000) 0.000 1.866 ( -0.000 0.000 0.000) 0.000 1.883 ( 0.000 -0.000 0.000) 0.000 1.883 ( -0.000 0.000 0.000) 0.000 1.963 ( -0.000 -0.000 -0.000) 0.000 1.963 ( 0.000 0.000 -0.000) 0.000 1.971 ( -0.000 -0.000 0.000) 0.000 1.971 ( -0.000 0.000 0.000) 0.000 2.112 ( -0.000 0.000 0.000) 0.000 2.112 ( 0.000 0.000 0.000) 0.000 2.181 ( -0.000 0.000 0.000) 0.000 2.181 ( -0.000 0.000 0.000) 0.000 2.216 ( -0.000 0.000 0.000) 0.000 2.216 ( 0.000 0.000 0.000) 0.000 2.309 ( -0.000 -0.000 -0.000) 0.000 2.309 ( 0.000 -0.000 0.000) 0.000 2.316 ( -0.000 0.000 -0.000) 0.000 2.316 ( 0.000 0.000 0.000) 0.000 2.486 ( -0.000 0.000 0.000) 0.000 2.486 ( -0.000 0.000 0.000) 0.000 2.508 ( -0.000 0.000 0.000) 0.000 2.508 ( -0.000 0.000 0.000) 0.000 2.652 ( -0.000 0.000 0.000) 0.000 2.652 ( -0.000 0.000 0.000) 0.000 2.730 ( -0.000 0.000 0.000) 0.000 2.730 ( -0.000 0.000 0.000) 0.000 2.997 ( 0.000 -0.000 0.000) 0.000 2.997 ( -0.000 0.000 0.000) 0.000 3.005 ( -0.000 -0.000 0.000) 0.000 3.005 ( -0.000 0.000 0.000) 0.000 3.481 ( -0.000 0.000 0.000) 0.000 3.481 ( -0.000 0.000 0.000) 0.000 3.519 ( -0.000 0.000 0.000) 0.000 3.519 ( -0.000 0.000 0.000) 0.000 3.574 ( -0.000 0.000 0.000) 0.000 3.574 ( -0.000 0.000 0.000) 0.000 3.675 ( -0.000 0.000 0.000) 0.000 3.675 ( -0.000 0.000 0.000) 0.000 3.754 ( -0.000 0.000 0.000) 0.000 3.754 ( -0.000 0.000 0.000) 0.000 3.839 ( -0.000 0.000 0.000) 0.000 3.839 ( -0.000 0.000 0.000) 0.000 3.942 ( -0.000 0.000 0.000) 0.000 3.942 ( -0.000 0.000 0.000) 0.000 4.324 ( -0.000 0.000 0.000) 0.000 4.324 ( -0.000 0.000 0.000) 0.000 5.481 ( -0.000 0.000 0.000) 0.000 5.481 ( -0.000 0.000 0.000) 0.000 5.603 ( -0.000 0.000 0.000) 0.000 5.603 ( -0.000 0.000 0.000) 0.000 5.617 ( -0.000 -0.000 -0.000) 0.000 5.617 ( 0.000 -0.000 0.000) 0.000 5.774 ( -0.000 0.000 0.000) 0.000 5.774 ( -0.000 0.000 0.000) 0.000 5.796 ( -0.000 0.000 0.000) 0.000 5.796 ( -0.000 0.000 0.000) 0.000 =================== 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 3/12096 10.0 5.388 4.265 7.092 0.000 0.735 0.000 3/12096 20.0 1.390 1.057 1.807 0.000 0.248 0.000 3/12096 30.0 0.759 0.574 0.970 0.000 0.141 0.000 3/12096 40.0 0.525 0.399 0.664 0.000 0.098 0.000 3/12096 50.0 0.404 0.310 0.510 0.000 0.076 0.000 3/12096 60.0 0.331 0.255 0.416 0.000 0.062 0.000 3/12096 70.0 0.282 0.218 0.353 0.000 0.053 0.000 3/12096 80.0 0.247 0.191 0.308 0.000 0.046 0.000 3/12096 90.0 0.220 0.170 0.273 0.000 0.041 0.000 3/12096 100.0 0.198 0.153 0.246 0.000 0.037 0.000 3/12096 110.0 0.181 0.140 0.224 0.000 0.034 0.000 3/12096 120.0 0.166 0.129 0.205 0.000 0.031 0.000 3/12096 130.0 0.154 0.119 0.190 0.000 0.029 0.000 3/12096 140.0 0.144 0.111 0.177 0.000 0.027 0.000 3/12096 150.0 0.134 0.104 0.165 0.000 0.025 0.000 3/12096 160.0 0.126 0.098 0.155 0.000 0.023 0.000 3/12096 170.0 0.119 0.092 0.146 0.000 0.022 0.000 3/12096 180.0 0.113 0.087 0.138 0.000 0.021 0.000 3/12096 190.0 0.107 0.083 0.131 0.000 0.020 0.000 3/12096 200.0 0.102 0.079 0.125 0.000 0.019 0.000 3/12096 210.0 0.098 0.075 0.119 0.000 0.018 0.000 3/12096 220.0 0.093 0.072 0.114 0.000 0.017 0.000 3/12096 230.0 0.089 0.069 0.109 0.000 0.017 0.000 3/12096 240.0 0.086 0.066 0.104 0.000 0.016 0.000 3/12096 250.0 0.083 0.063 0.100 0.000 0.015 0.000 3/12096 260.0 0.079 0.061 0.096 0.000 0.015 0.000 3/12096 270.0 0.077 0.059 0.093 0.000 0.014 0.000 3/12096 280.0 0.074 0.057 0.090 0.000 0.014 0.000 3/12096 290.0 0.072 0.055 0.087 0.000 0.013 0.000 3/12096 300.0 0.069 0.053 0.084 0.000 0.013 0.000 3/12096 310.0 0.067 0.052 0.081 0.000 0.013 0.000 3/12096 320.0 0.065 0.050 0.079 0.000 0.012 0.000 3/12096 330.0 0.063 0.049 0.076 0.000 0.012 0.000 3/12096 340.0 0.061 0.047 0.074 0.000 0.011 0.000 3/12096 350.0 0.060 0.046 0.072 0.000 0.011 0.000 3/12096 360.0 0.058 0.045 0.070 0.000 0.011 0.000 3/12096 370.0 0.057 0.043 0.068 0.000 0.011 0.000 3/12096 380.0 0.055 0.042 0.066 0.000 0.010 0.000 3/12096 390.0 0.054 0.041 0.065 0.000 0.010 0.000 3/12096 400.0 0.052 0.040 0.063 0.000 0.010 0.000 3/12096 410.0 0.051 0.039 0.062 0.000 0.010 0.000 3/12096 420.0 0.050 0.038 0.060 0.000 0.009 0.000 3/12096 430.0 0.049 0.037 0.059 0.000 0.009 0.000 3/12096 440.0 0.048 0.037 0.058 0.000 0.009 0.000 3/12096 450.0 0.047 0.036 0.056 0.000 0.009 0.000 3/12096 460.0 0.046 0.035 0.055 0.000 0.009 0.000 3/12096 470.0 0.045 0.034 0.054 0.000 0.008 0.000 3/12096 480.0 0.044 0.034 0.053 0.000 0.008 0.000 3/12096 490.0 0.043 0.033 0.052 0.000 0.008 0.000 3/12096 500.0 0.042 0.032 0.051 0.000 0.008 0.000 3/12096 510.0 0.041 0.032 0.050 0.000 0.008 0.000 3/12096 520.0 0.041 0.031 0.049 0.000 0.008 0.000 3/12096 530.0 0.040 0.031 0.048 0.000 0.007 0.000 3/12096 540.0 0.039 0.030 0.047 0.000 0.007 0.000 3/12096 550.0 0.038 0.029 0.046 0.000 0.007 0.000 3/12096 560.0 0.038 0.029 0.045 0.000 0.007 0.000 3/12096 570.0 0.037 0.028 0.045 0.000 0.007 0.000 3/12096 580.0 0.037 0.028 0.044 0.000 0.007 0.000 3/12096 590.0 0.036 0.027 0.043 0.000 0.007 0.000 3/12096 600.0 0.035 0.027 0.042 0.000 0.007 0.000 3/12096 610.0 0.035 0.027 0.042 0.000 0.007 0.000 3/12096 620.0 0.034 0.026 0.041 0.000 0.006 0.000 3/12096 630.0 0.034 0.026 0.040 0.000 0.006 0.000 3/12096 640.0 0.033 0.025 0.040 0.000 0.006 0.000 3/12096 650.0 0.033 0.025 0.039 0.000 0.006 0.000 3/12096 660.0 0.032 0.025 0.039 0.000 0.006 0.000 3/12096 670.0 0.032 0.024 0.038 0.000 0.006 0.000 3/12096 680.0 0.031 0.024 0.037 0.000 0.006 0.000 3/12096 690.0 0.031 0.024 0.037 0.000 0.006 0.000 3/12096 700.0 0.030 0.023 0.036 0.000 0.006 0.000 3/12096 710.0 0.030 0.023 0.036 0.000 0.006 0.000 3/12096 720.0 0.030 0.023 0.035 0.000 0.006 0.000 3/12096 730.0 0.029 0.022 0.035 0.000 0.005 0.000 3/12096 740.0 0.029 0.022 0.034 0.000 0.005 0.000 3/12096 750.0 0.028 0.022 0.034 0.000 0.005 0.000 3/12096 760.0 0.028 0.021 0.034 0.000 0.005 0.000 3/12096 770.0 0.028 0.021 0.033 0.000 0.005 0.000 3/12096 780.0 0.027 0.021 0.033 0.000 0.005 0.000 3/12096 790.0 0.027 0.021 0.032 0.000 0.005 0.000 3/12096 800.0 0.027 0.020 0.032 0.000 0.005 0.000 3/12096 810.0 0.026 0.020 0.031 0.000 0.005 0.000 3/12096 820.0 0.026 0.020 0.031 0.000 0.005 0.000 3/12096 830.0 0.026 0.020 0.031 0.000 0.005 0.000 3/12096 840.0 0.025 0.019 0.030 0.000 0.005 0.000 3/12096 850.0 0.025 0.019 0.030 0.000 0.005 0.000 3/12096 860.0 0.025 0.019 0.030 0.000 0.005 0.000 3/12096 870.0 0.025 0.019 0.029 0.000 0.005 0.000 3/12096 880.0 0.024 0.019 0.029 0.000 0.005 0.000 3/12096 890.0 0.024 0.018 0.029 0.000 0.005 0.000 3/12096 900.0 0.024 0.018 0.028 0.000 0.004 0.000 3/12096 910.0 0.023 0.018 0.028 0.000 0.004 0.000 3/12096 920.0 0.023 0.018 0.028 0.000 0.004 0.000 3/12096 930.0 0.023 0.018 0.027 0.000 0.004 0.000 3/12096 940.0 0.023 0.017 0.027 0.000 0.004 0.000 3/12096 950.0 0.023 0.017 0.027 0.000 0.004 0.000 3/12096 960.0 0.022 0.017 0.027 0.000 0.004 0.000 3/12096 970.0 0.022 0.017 0.026 0.000 0.004 0.000 3/12096 980.0 0.022 0.017 0.026 0.000 0.004 0.000 3/12096 990.0 0.022 0.017 0.026 0.000 0.004 0.000 3/12096 1000.0 0.021 0.016 0.026 0.000 0.004 0.000 3/12096 Thermal conductivity related properties were written into "kappa-m646.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:01:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|