----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 18:49:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 16.957765640810777 -2.447318015000000 0.000000000000000 b 16.957765640810777 2.447318015000000 0.000000000000000 c -4.411006859014284 0.000000000000000 12.332798096651612 Atomic positions (fractional): *1 Ba 0.11338718980969 0.11338718980969 0.50928111223493 137.327 *2 Ba 0.12623384448039 0.12623384448039 0.02043364646645 137.327 *3 Ba 0.01841383859466 0.01841383859466 0.67913890439477 137.327 *4 Ba 0.27997771001579 0.27997771001579 0.13434339448784 137.327 *5 Ba 0.19922231836795 0.19922231836795 0.34742186325864 137.327 6 Ba 0.80077768163205 0.80077768163205 0.65257813674136 137.327 *7 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 8 Ba 0.88661281019031 0.88661281019031 0.49071888776507 137.327 9 Ba 0.87376615551961 0.87376615551961 0.97956635353355 137.327 10 Ba 0.98158616140534 0.98158616140534 0.32086109560523 137.327 11 Ba 0.72002228998421 0.72002228998421 0.86565660551216 137.327 *12 Cd 0.39997863058808 0.39997863058808 0.25558508861646 112.411 *13 Cd 0.78171129996921 0.78171129996921 0.32862158432934 112.411 *14 Cd 0.54562901669619 0.54562901669619 0.24466712528904 112.411 15 Cd 0.21828870003079 0.21828870003079 0.67137841567066 112.411 16 Cd 0.45437098330381 0.45437098330381 0.75533287471096 112.411 17 Cd 0.60002136941192 0.60002136941192 0.74441491138354 112.411 *18 Sb 0.45313464063732 0.45313464063732 0.12077603613934 121.760 *19 Sb 0.30755190847745 0.30755190847745 0.45633077487023 121.760 20 Sb 0.69244809152255 0.69244809152255 0.54366922512977 121.760 *21 Sb 0.91393181556583 0.91393181556583 0.76442387154327 121.760 *22 Sb 0.14790414462396 0.14790414462396 0.78340724261796 121.760 23 Sb 0.54686535936268 0.54686535936268 0.87922396386066 121.760 *24 Sb 0.70599021889407 0.70599021889407 0.14370136310255 121.760 *25 Sb 0.45777354845695 0.45777354845695 0.49542271440628 121.760 26 Sb 0.54222645154305 0.54222645154305 0.50457728559372 121.760 27 Sb 0.85209585537604 0.85209585537604 0.21659275738204 121.760 28 Sb 0.08606818443417 0.08606818443417 0.23557612845673 121.760 29 Sb 0.29400978110593 0.29400978110593 0.85629863689745 121.760 -------------------------------- unit cell --------------------------------- Lattice vectors: a 33.915531281621554 0.000000000000000 0.000000000000000 b 0.000000000000000 4.894636030000000 0.000000000000000 c -4.411006859014284 0.000000000000000 12.332798096651612 Atomic positions (fractional): *1 Ba 0.61338718980969 0.50000000000000 0.50928111223493 137.327 > 1 *2 Ba 0.62623384448039 0.50000000000000 0.02043364646645 137.327 > 2 *3 Ba 0.51841383859466 0.50000000000000 0.67913890439477 137.327 > 3 *4 Ba 0.77997771001579 0.50000000000000 0.13434339448784 137.327 > 4 *5 Ba 0.69922231836795 0.50000000000000 0.34742186325864 137.327 > 5 6 Ba 0.80077768163205 0.00000000000000 0.65257813674136 137.327 > 6 *7 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 7 8 Ba 0.88661281019031 0.00000000000000 0.49071888776507 137.327 > 8 9 Ba 0.87376615551961 0.00000000000000 0.97956635353355 137.327 > 9 10 Ba 0.98158616140534 0.00000000000000 0.32086109560523 137.327 > 10 11 Ba 0.72002228998421 0.00000000000000 0.86565660551216 137.327 > 11 12 Ba 0.11338718980968 0.00000000000000 0.50928111223493 137.327 > 1 13 Ba 0.12623384448039 0.00000000000000 0.02043364646645 137.327 > 2 14 Ba 0.01841383859466 0.00000000000000 0.67913890439477 137.327 > 3 15 Ba 0.27997771001579 0.00000000000000 0.13434339448784 137.327 > 4 16 Ba 0.19922231836795 0.00000000000000 0.34742186325864 137.327 > 5 17 Ba 0.30077768163205 0.50000000000000 0.65257813674136 137.327 > 6 18 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 > 7 19 Ba 0.38661281019032 0.50000000000000 0.49071888776507 137.327 > 8 20 Ba 0.37376615551961 0.50000000000000 0.97956635353355 137.327 > 9 21 Ba 0.48158616140534 0.50000000000000 0.32086109560523 137.327 > 10 22 Ba 0.22002228998421 0.50000000000000 0.86565660551216 137.327 > 11 *23 Cd 0.89997863058808 0.50000000000000 0.25558508861646 112.411 > 12 *24 Cd 0.78171129996921 0.00000000000000 0.32862158432934 112.411 > 13 *25 Cd 0.54562901669619 0.00000000000000 0.24466712528904 112.411 > 14 26 Cd 0.71828870003079 0.50000000000000 0.67137841567066 112.411 > 15 27 Cd 0.95437098330381 0.50000000000000 0.75533287471096 112.411 > 16 28 Cd 0.60002136941192 0.00000000000000 0.74441491138354 112.411 > 17 29 Cd 0.39997863058808 0.00000000000000 0.25558508861646 112.411 > 12 30 Cd 0.28171129996921 0.50000000000000 0.32862158432934 112.411 > 13 31 Cd 0.04562901669619 0.50000000000000 0.24466712528904 112.411 > 14 32 Cd 0.21828870003079 0.00000000000000 0.67137841567066 112.411 > 15 33 Cd 0.45437098330381 0.00000000000000 0.75533287471096 112.411 > 16 34 Cd 0.10002136941192 0.50000000000000 0.74441491138354 112.411 > 17 *35 Sb 0.95313464063732 0.50000000000000 0.12077603613934 121.760 > 18 *36 Sb 0.80755190847745 0.50000000000000 0.45633077487023 121.760 > 19 37 Sb 0.69244809152255 0.00000000000000 0.54366922512977 121.760 > 20 *38 Sb 0.91393181556583 0.00000000000000 0.76442387154327 121.760 > 21 *39 Sb 0.64790414462396 0.50000000000000 0.78340724261796 121.760 > 22 40 Sb 0.54686535936268 0.00000000000000 0.87922396386066 121.760 > 23 *41 Sb 0.70599021889407 0.00000000000000 0.14370136310255 121.760 > 24 *42 Sb 0.95777354845695 0.50000000000000 0.49542271440628 121.760 > 25 43 Sb 0.54222645154305 0.00000000000000 0.50457728559372 121.760 > 26 44 Sb 0.85209585537604 0.00000000000000 0.21659275738204 121.760 > 27 45 Sb 0.58606818443417 0.50000000000000 0.23557612845673 121.760 > 28 46 Sb 0.79400978110593 0.50000000000000 0.85629863689745 121.760 > 29 47 Sb 0.45313464063732 0.00000000000000 0.12077603613934 121.760 > 18 48 Sb 0.30755190847745 0.00000000000000 0.45633077487023 121.760 > 19 49 Sb 0.19244809152255 0.50000000000000 0.54366922512977 121.760 > 20 50 Sb 0.41393181556583 0.50000000000000 0.76442387154327 121.760 > 21 51 Sb 0.14790414462396 0.00000000000000 0.78340724261796 121.760 > 22 52 Sb 0.04686535936268 0.50000000000000 0.87922396386066 121.760 > 23 53 Sb 0.20599021889407 0.50000000000000 0.14370136310255 121.760 > 24 54 Sb 0.45777354845695 0.00000000000000 0.49542271440628 121.760 > 25 55 Sb 0.04222645154305 0.50000000000000 0.50457728559372 121.760 > 26 56 Sb 0.35209585537604 0.50000000000000 0.21659275738204 121.760 > 27 57 Sb 0.08606818443417 0.00000000000000 0.23557612845673 121.760 > 28 58 Sb 0.29400978110593 0.00000000000000 0.85629863689745 121.760 > 29 -------------------------------- super cell -------------------------------- Lattice vectors: a 33.915531281621554 0.000000000000000 0.000000000000000 b 0.000000000000000 9.789272060000000 0.000000000000000 c -4.411006859014284 0.000000000000000 12.332798096651612 Atomic positions (fractional): *1 Ba 0.61338718980969 0.25000000000000 0.50928111223493 137.327 > 1 2 Ba 0.61338718980969 0.75000000000000 0.50928111223493 137.327 > 1 *3 Ba 0.62623384448039 0.25000000000000 0.02043364646645 137.327 > 2 4 Ba 0.62623384448039 0.75000000000000 0.02043364646645 137.327 > 2 *5 Ba 0.51841383859466 0.25000000000000 0.67913890439477 137.327 > 3 6 Ba 0.51841383859466 0.75000000000000 0.67913890439477 137.327 > 3 *7 Ba 0.77997771001579 0.25000000000000 0.13434339448784 137.327 > 4 8 Ba 0.77997771001579 0.75000000000000 0.13434339448784 137.327 > 4 *9 Ba 0.69922231836795 0.25000000000000 0.34742186325864 137.327 > 5 10 Ba 0.69922231836795 0.75000000000000 0.34742186325864 137.327 > 5 11 Ba 0.80077768163205 0.00000000000000 0.65257813674136 137.327 > 6 12 Ba 0.80077768163205 0.50000000000000 0.65257813674136 137.327 > 6 *13 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 7 14 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 > 7 15 Ba 0.88661281019031 0.00000000000000 0.49071888776507 137.327 > 8 16 Ba 0.88661281019031 0.50000000000000 0.49071888776507 137.327 > 8 17 Ba 0.87376615551961 0.00000000000000 0.97956635353355 137.327 > 9 18 Ba 0.87376615551961 0.50000000000000 0.97956635353355 137.327 > 9 19 Ba 0.98158616140534 0.00000000000000 0.32086109560523 137.327 > 10 20 Ba 0.98158616140534 0.50000000000000 0.32086109560523 137.327 > 10 21 Ba 0.72002228998421 0.00000000000000 0.86565660551216 137.327 > 11 22 Ba 0.72002228998421 0.50000000000000 0.86565660551216 137.327 > 11 23 Ba 0.11338718980968 0.00000000000000 0.50928111223493 137.327 > 1 24 Ba 0.11338718980968 0.50000000000000 0.50928111223493 137.327 > 1 25 Ba 0.12623384448039 0.00000000000000 0.02043364646645 137.327 > 2 26 Ba 0.12623384448039 0.50000000000000 0.02043364646645 137.327 > 2 27 Ba 0.01841383859466 0.00000000000000 0.67913890439477 137.327 > 3 28 Ba 0.01841383859466 0.50000000000000 0.67913890439477 137.327 > 3 29 Ba 0.27997771001579 0.00000000000000 0.13434339448784 137.327 > 4 30 Ba 0.27997771001579 0.50000000000000 0.13434339448784 137.327 > 4 31 Ba 0.19922231836795 0.00000000000000 0.34742186325864 137.327 > 5 32 Ba 0.19922231836795 0.50000000000000 0.34742186325864 137.327 > 5 33 Ba 0.30077768163205 0.25000000000000 0.65257813674136 137.327 > 6 34 Ba 0.30077768163205 0.75000000000000 0.65257813674136 137.327 > 6 35 Ba 0.50000000000000 0.25000000000000 0.00000000000000 137.327 > 7 36 Ba 0.50000000000000 0.75000000000000 0.00000000000000 137.327 > 7 37 Ba 0.38661281019032 0.25000000000000 0.49071888776507 137.327 > 8 38 Ba 0.38661281019032 0.75000000000000 0.49071888776507 137.327 > 8 39 Ba 0.37376615551961 0.25000000000000 0.97956635353355 137.327 > 9 40 Ba 0.37376615551961 0.75000000000000 0.97956635353355 137.327 > 9 41 Ba 0.48158616140534 0.25000000000000 0.32086109560523 137.327 > 10 42 Ba 0.48158616140534 0.75000000000000 0.32086109560523 137.327 > 10 43 Ba 0.22002228998421 0.25000000000000 0.86565660551216 137.327 > 11 44 Ba 0.22002228998421 0.75000000000000 0.86565660551216 137.327 > 11 *45 Cd 0.89997863058808 0.25000000000000 0.25558508861646 112.411 > 12 46 Cd 0.89997863058808 0.75000000000000 0.25558508861646 112.411 > 12 *47 Cd 0.78171129996921 0.00000000000000 0.32862158432934 112.411 > 13 48 Cd 0.78171129996921 0.50000000000000 0.32862158432934 112.411 > 13 *49 Cd 0.54562901669619 0.00000000000000 0.24466712528904 112.411 > 14 50 Cd 0.54562901669619 0.50000000000000 0.24466712528904 112.411 > 14 51 Cd 0.71828870003079 0.25000000000000 0.67137841567066 112.411 > 15 52 Cd 0.71828870003079 0.75000000000000 0.67137841567066 112.411 > 15 53 Cd 0.95437098330381 0.25000000000000 0.75533287471096 112.411 > 16 54 Cd 0.95437098330381 0.75000000000000 0.75533287471096 112.411 > 16 55 Cd 0.60002136941192 0.00000000000000 0.74441491138354 112.411 > 17 56 Cd 0.60002136941192 0.50000000000000 0.74441491138354 112.411 > 17 57 Cd 0.39997863058808 0.00000000000000 0.25558508861646 112.411 > 12 58 Cd 0.39997863058808 0.50000000000000 0.25558508861646 112.411 > 12 59 Cd 0.28171129996921 0.25000000000000 0.32862158432934 112.411 > 13 60 Cd 0.28171129996921 0.75000000000000 0.32862158432934 112.411 > 13 61 Cd 0.04562901669619 0.25000000000000 0.24466712528904 112.411 > 14 62 Cd 0.04562901669619 0.75000000000000 0.24466712528904 112.411 > 14 63 Cd 0.21828870003079 0.00000000000000 0.67137841567066 112.411 > 15 64 Cd 0.21828870003079 0.50000000000000 0.67137841567066 112.411 > 15 65 Cd 0.45437098330381 0.00000000000000 0.75533287471096 112.411 > 16 66 Cd 0.45437098330381 0.50000000000000 0.75533287471096 112.411 > 16 67 Cd 0.10002136941192 0.25000000000000 0.74441491138354 112.411 > 17 68 Cd 0.10002136941192 0.75000000000000 0.74441491138354 112.411 > 17 *69 Sb 0.95313464063732 0.25000000000000 0.12077603613934 121.760 > 18 70 Sb 0.95313464063732 0.75000000000000 0.12077603613934 121.760 > 18 *71 Sb 0.80755190847745 0.25000000000000 0.45633077487023 121.760 > 19 72 Sb 0.80755190847745 0.75000000000000 0.45633077487023 121.760 > 19 73 Sb 0.69244809152255 0.00000000000000 0.54366922512977 121.760 > 20 74 Sb 0.69244809152255 0.50000000000000 0.54366922512977 121.760 > 20 *75 Sb 0.91393181556583 0.00000000000000 0.76442387154327 121.760 > 21 76 Sb 0.91393181556583 0.50000000000000 0.76442387154327 121.760 > 21 *77 Sb 0.64790414462396 0.25000000000000 0.78340724261796 121.760 > 22 78 Sb 0.64790414462396 0.75000000000000 0.78340724261796 121.760 > 22 79 Sb 0.54686535936268 0.00000000000000 0.87922396386066 121.760 > 23 80 Sb 0.54686535936268 0.50000000000000 0.87922396386066 121.760 > 23 *81 Sb 0.70599021889407 0.00000000000000 0.14370136310255 121.760 > 24 82 Sb 0.70599021889407 0.50000000000000 0.14370136310255 121.760 > 24 *83 Sb 0.95777354845695 0.25000000000000 0.49542271440628 121.760 > 25 84 Sb 0.95777354845695 0.75000000000000 0.49542271440628 121.760 > 25 85 Sb 0.54222645154305 0.00000000000000 0.50457728559372 121.760 > 26 86 Sb 0.54222645154305 0.50000000000000 0.50457728559372 121.760 > 26 87 Sb 0.85209585537604 0.00000000000000 0.21659275738204 121.760 > 27 88 Sb 0.85209585537604 0.50000000000000 0.21659275738204 121.760 > 27 89 Sb 0.58606818443417 0.25000000000000 0.23557612845673 121.760 > 28 90 Sb 0.58606818443417 0.75000000000000 0.23557612845673 121.760 > 28 91 Sb 0.79400978110593 0.25000000000000 0.85629863689745 121.760 > 29 92 Sb 0.79400978110593 0.75000000000000 0.85629863689745 121.760 > 29 93 Sb 0.45313464063732 0.00000000000000 0.12077603613934 121.760 > 18 94 Sb 0.45313464063732 0.50000000000000 0.12077603613934 121.760 > 18 95 Sb 0.30755190847745 0.00000000000000 0.45633077487023 121.760 > 19 96 Sb 0.30755190847745 0.50000000000000 0.45633077487023 121.760 > 19 97 Sb 0.19244809152255 0.25000000000000 0.54366922512977 121.760 > 20 98 Sb 0.19244809152255 0.75000000000000 0.54366922512977 121.760 > 20 99 Sb 0.41393181556583 0.25000000000000 0.76442387154327 121.760 > 21 100 Sb 0.41393181556583 0.75000000000000 0.76442387154327 121.760 > 21 101 Sb 0.14790414462396 0.00000000000000 0.78340724261796 121.760 > 22 102 Sb 0.14790414462396 0.50000000000000 0.78340724261796 121.760 > 22 103 Sb 0.04686535936268 0.25000000000000 0.87922396386066 121.760 > 23 104 Sb 0.04686535936268 0.75000000000000 0.87922396386066 121.760 > 23 105 Sb 0.20599021889407 0.25000000000000 0.14370136310255 121.760 > 24 106 Sb 0.20599021889407 0.75000000000000 0.14370136310255 121.760 > 24 107 Sb 0.45777354845695 0.00000000000000 0.49542271440628 121.760 > 25 108 Sb 0.45777354845695 0.50000000000000 0.49542271440628 121.760 > 25 109 Sb 0.04222645154305 0.25000000000000 0.50457728559372 121.760 > 26 110 Sb 0.04222645154305 0.75000000000000 0.50457728559372 121.760 > 26 111 Sb 0.35209585537604 0.25000000000000 0.21659275738204 121.760 > 27 112 Sb 0.35209585537604 0.75000000000000 0.21659275738204 121.760 > 27 113 Sb 0.08606818443417 0.00000000000000 0.23557612845673 121.760 > 28 114 Sb 0.08606818443417 0.50000000000000 0.23557612845673 121.760 > 28 115 Sb 0.29400978110593 0.00000000000000 0.85629863689745 121.760 > 29 116 Sb 0.29400978110593 0.50000000000000 0.85629863689745 121.760 > 29 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 18.7176714 0.0000000 -3.3398045 0.0000000 31.3332705 0.0000000 -3.3396392 0.0000000 37.5098160 -------------------------- Born effective charges -------------------------- 1 Ba 2.8794021 0.0000000 0.5360281 0.0000000 3.8575082 0.0000000 0.5385437 0.0000000 1.6107588 2 Ba 3.3601036 0.0000000 0.2965156 0.0000000 3.6848814 0.0000000 1.4720635 0.0000000 4.1796854 3 Ba 1.9013635 0.0000000 -0.4629487 0.0000000 5.0440946 0.0000000 -0.0817938 0.0000000 4.8268740 4 Ba 2.4692807 0.0000000 0.5028121 0.0000000 3.1921694 0.0000000 0.0916994 0.0000000 2.2568045 5 Ba 3.4739131 0.0000000 -0.6622933 0.0000000 3.0299918 0.0000000 -1.2040119 0.0000000 2.9416200 6 Ba 3.4739131 0.0000000 -0.6622933 0.0000000 3.0299918 0.0000000 -1.2040119 0.0000000 2.9416200 7 Ba 2.7311260 0.0000000 -1.7189338 0.0000000 4.1449571 0.0000000 -2.9092753 0.0000000 5.6539897 8 Ba 2.8794021 0.0000000 0.5360281 0.0000000 3.8575082 0.0000000 0.5385437 0.0000000 1.6107588 9 Ba 3.3601036 0.0000000 0.2965156 0.0000000 3.6848814 0.0000000 1.4720635 0.0000000 4.1796854 10 Ba 1.9013635 0.0000000 -0.4629487 0.0000000 5.0440946 0.0000000 -0.0817938 0.0000000 4.8268740 11 Ba 2.4692807 0.0000000 0.5028121 0.0000000 3.1921694 0.0000000 0.0916994 0.0000000 2.2568045 12 Cd 2.1333571 0.0000000 -0.0097591 0.0000000 2.3031264 0.0000000 -0.1638049 0.0000000 1.5874858 13 Cd 1.9542208 0.0000000 -0.0404582 0.0000000 2.6253119 0.0000000 -0.2217913 0.0000000 1.5056738 14 Cd 1.9643784 0.0000000 0.4822025 0.0000000 2.6505172 0.0000000 -0.0696004 0.0000000 0.5440713 15 Cd 1.9542208 0.0000000 -0.0404582 0.0000000 2.6253119 0.0000000 -0.2217913 0.0000000 1.5056738 16 Cd 1.9643784 0.0000000 0.4822025 0.0000000 2.6505172 0.0000000 -0.0696004 0.0000000 0.5440713 17 Cd 2.1333571 0.0000000 -0.0097591 0.0000000 2.3031264 0.0000000 -0.1638049 0.0000000 1.5874858 18 Sb -4.5713524 0.0000000 0.5461682 0.0000000 -6.8628880 0.0000000 0.9106923 0.0000000 -5.6479557 19 Sb -3.8774948 0.0000000 0.3629983 0.0000000 -6.0333913 0.0000000 0.5743571 0.0000000 -3.1951812 20 Sb -3.8774948 0.0000000 0.3629983 0.0000000 -6.0333913 0.0000000 0.5743571 0.0000000 -3.1951812 21 Sb -3.4660959 0.0000000 -0.0593347 0.0000000 -2.5704990 0.0000000 0.6377238 0.0000000 -2.3752584 22 Sb -3.6276509 0.0000000 -0.4505539 0.0000000 -2.7740861 0.0000000 -0.4444865 0.0000000 -1.8878839 23 Sb -4.5713524 0.0000000 0.5461682 0.0000000 -6.8628880 0.0000000 0.9106923 0.0000000 -5.6479557 24 Sb -4.0971255 0.0000000 -0.4930705 0.0000000 -5.2295902 0.0000000 -0.6626590 0.0000000 -4.1035822 25 Sb -1.8618627 0.0000000 0.3111606 0.0000000 -4.9896249 0.0000000 0.0777058 0.0000000 -5.0701072 26 Sb -1.8618627 0.0000000 0.3111606 0.0000000 -4.9896249 0.0000000 0.0777058 0.0000000 -5.0701072 27 Sb -3.6276509 0.0000000 -0.4505539 0.0000000 -2.7740861 0.0000000 -0.4444865 0.0000000 -1.8878839 28 Sb -3.4660959 0.0000000 -0.0593347 0.0000000 -2.5704990 0.0000000 0.6377238 0.0000000 -2.3752584 29 Sb -4.0971255 0.0000000 -0.4930705 0.0000000 -5.2295902 0.0000000 -0.6626590 0.0000000 -4.1035822 ---------------------------------------------------------------------------- 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: 348/348 Permutation basis: 17934/17934 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4128 Number of blocks in projector: 4128 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: 1263 Use submatrix version of eigh solver. (1) Block: 500 / 1263 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1263 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1263 / 1263 (1) 240 eigenvectors found. (1) Complementary block size: 81 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 675 Use submatrix version of eigh solver. (1) Block: 500 / 675 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 675 / 675 (1) 160 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 675 Use submatrix version of eigh solver. (1) Block: 500 / 675 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 675 / 675 (1) 160 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 675 Use submatrix version of eigh solver. (1) Block: 500 / 675 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 675 / 675 (1) 160 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 420 Use standard eigh solver. Tree of FC basis block matrices: - (4128, 4054), data: False |-- (420, 420), data: True |-- (420, 420), data: True |-- (675, 660), data: False |-- (675, 15), data: (675, 30) @ (30, 15) |-- (175, 160), data: True |-- (500, 485), data: False |-- (500, 15), data: (500, 30) @ (30, 15) |-- (250, 235), data: True |-- (250, 235), data: True |-- (675, 660), data: False |-- (675, 15), data: (675, 30) @ (30, 15) |-- (175, 160), data: True |-- (500, 485), data: False |-- (500, 15), data: (500, 30) @ (30, 15) |-- (250, 235), data: True |-- (250, 235), data: True |-- (675, 660), data: False |-- (675, 15), data: (675, 30) @ (30, 15) |-- (175, 160), data: True |-- (500, 485), data: False |-- (500, 15), data: (500, 30) @ (30, 15) |-- (250, 235), data: True |-- (250, 235), data: True |-- (1263, 1234), data: False |-- (1263, 52), data: (1263, 81) @ (81, 52) |-- (263, 240), data: True |-- (500, 471), data: False |-- (500, 19), data: (500, 48) @ (48, 19) |-- (250, 221), data: True |-- (250, 231), data: True |-- (500, 471), data: False |-- (500, 25), data: (500, 54) @ (54, 25) |-- (250, 225), data: True |-- (250, 221), data: True ----- Solver_atoms: 1 -- 116 / 116 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.056 Solver_block: 200 / 880 - Time: 0.948 Solver_block: 300 / 880 - Time: 0.944 Solver_block: 400 / 880 - Time: 0.948 Solver_block: 500 / 880 - Time: 0.945 Solver_block: 600 / 880 - Time: 0.941 Solver_block: 700 / 880 - Time: 0.953 Solver_block: 800 / 880 - Time: 0.944 Solver_block: 880 / 880 - Time: 0.783 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.703 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 348/348 Permutation basis: 17934/17934 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4128 Number of blocks in projector: 4128 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: 1263 Use submatrix version of eigh solver. (1) Block: 500 / 1263 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1263 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1263 / 1263 (1) 240 eigenvectors found. (1) Complementary block size: 81 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 675 Use submatrix version of eigh solver. (1) Block: 500 / 675 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 675 / 675 (1) 160 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 675 Use submatrix version of eigh solver. (1) Block: 500 / 675 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 675 / 675 (1) 160 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 675 Use submatrix version of eigh solver. (1) Block: 500 / 675 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 675 / 675 (1) 160 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 420 Use standard eigh solver. Tree of FC basis block matrices: - (4128, 4054), data: False |-- (420, 420), data: True |-- (420, 420), data: True |-- (675, 660), data: False |-- (675, 15), data: (675, 30) @ (30, 15) |-- (175, 160), data: True |-- (500, 485), data: False |-- (500, 15), data: (500, 30) @ (30, 15) |-- (250, 235), data: True |-- (250, 235), data: True |-- (675, 660), data: False |-- (675, 15), data: (675, 30) @ (30, 15) |-- (175, 160), data: True |-- (500, 485), data: False |-- (500, 15), data: (500, 30) @ (30, 15) |-- (250, 235), data: True |-- (250, 235), data: True |-- (675, 660), data: False |-- (675, 15), data: (675, 30) @ (30, 15) |-- (175, 160), data: True |-- (500, 485), data: False |-- (500, 15), data: (500, 30) @ (30, 15) |-- (250, 235), data: True |-- (250, 235), data: True |-- (1263, 1234), data: False |-- (1263, 52), data: (1263, 81) @ (81, 52) |-- (263, 240), data: True |-- (500, 471), data: False |-- (500, 19), data: (500, 48) @ (48, 19) |-- (250, 221), data: True |-- (250, 231), data: True |-- (500, 471), data: False |-- (500, 25), data: (500, 54) @ (54, 25) |-- (250, 225), data: True |-- (250, 221), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 18:50:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:50:07]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 16.957765640810777 -2.447318015000000 0.000000000000000 b 16.957765640810777 2.447318015000000 0.000000000000000 c -4.411006859014284 0.000000000000000 12.332798096651612 Atomic positions (fractional): 1 Ba 0.11338718980969 0.11338718980969 0.50928111223493 137.327 2 Ba 0.12623384448039 0.12623384448039 0.02043364646645 137.327 3 Ba 0.01841383859466 0.01841383859466 0.67913890439477 137.327 4 Ba 0.27997771001579 0.27997771001579 0.13434339448784 137.327 5 Ba 0.19922231836795 0.19922231836795 0.34742186325864 137.327 6 Ba 0.80077768163205 0.80077768163205 0.65257813674136 137.327 7 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 8 Ba 0.88661281019031 0.88661281019031 0.49071888776507 137.327 9 Ba 0.87376615551961 0.87376615551961 0.97956635353355 137.327 10 Ba 0.98158616140534 0.98158616140534 0.32086109560523 137.327 11 Ba 0.72002228998421 0.72002228998421 0.86565660551216 137.327 12 Cd 0.39997863058808 0.39997863058808 0.25558508861646 112.411 13 Cd 0.78171129996921 0.78171129996921 0.32862158432934 112.411 14 Cd 0.54562901669619 0.54562901669619 0.24466712528904 112.411 15 Cd 0.21828870003079 0.21828870003079 0.67137841567066 112.411 16 Cd 0.45437098330381 0.45437098330381 0.75533287471096 112.411 17 Cd 0.60002136941192 0.60002136941192 0.74441491138354 112.411 18 Sb 0.45313464063732 0.45313464063732 0.12077603613934 121.760 19 Sb 0.30755190847745 0.30755190847745 0.45633077487023 121.760 20 Sb 0.69244809152255 0.69244809152255 0.54366922512977 121.760 21 Sb 0.91393181556583 0.91393181556583 0.76442387154327 121.760 22 Sb 0.14790414462396 0.14790414462396 0.78340724261796 121.760 23 Sb 0.54686535936268 0.54686535936268 0.87922396386066 121.760 24 Sb 0.70599021889407 0.70599021889407 0.14370136310255 121.760 25 Sb 0.45777354845695 0.45777354845695 0.49542271440628 121.760 26 Sb 0.54222645154305 0.54222645154305 0.50457728559372 121.760 27 Sb 0.85209585537604 0.85209585537604 0.21659275738204 121.760 28 Sb 0.08606818443417 0.08606818443417 0.23557612845673 121.760 29 Sb 0.29400978110593 0.29400978110593 0.85629863689745 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 33.915531281621554 0.000000000000000 0.000000000000000 b 0.000000000000000 9.789272060000000 0.000000000000000 c -4.411006859014284 0.000000000000000 12.332798096651612 Atomic positions (fractional): 1 Ba 0.61338718980969 0.25000000000000 0.50928111223493 137.327 > 1 2 Ba 0.61338718980969 0.75000000000000 0.50928111223493 137.327 > 1 3 Ba 0.62623384448039 0.25000000000000 0.02043364646645 137.327 > 3 4 Ba 0.62623384448039 0.75000000000000 0.02043364646645 137.327 > 3 5 Ba 0.51841383859466 0.25000000000000 0.67913890439477 137.327 > 5 6 Ba 0.51841383859466 0.75000000000000 0.67913890439477 137.327 > 5 7 Ba 0.77997771001579 0.25000000000000 0.13434339448784 137.327 > 7 8 Ba 0.77997771001579 0.75000000000000 0.13434339448784 137.327 > 7 9 Ba 0.69922231836795 0.25000000000000 0.34742186325864 137.327 > 9 10 Ba 0.69922231836795 0.75000000000000 0.34742186325864 137.327 > 9 11 Ba 0.80077768163205 0.00000000000000 0.65257813674136 137.327 > 11 12 Ba 0.80077768163205 0.50000000000000 0.65257813674136 137.327 > 11 13 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 13 14 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 > 13 15 Ba 0.88661281019031 0.00000000000000 0.49071888776507 137.327 > 15 16 Ba 0.88661281019031 0.50000000000000 0.49071888776507 137.327 > 15 17 Ba 0.87376615551961 0.00000000000000 0.97956635353355 137.327 > 17 18 Ba 0.87376615551961 0.50000000000000 0.97956635353355 137.327 > 17 19 Ba 0.98158616140534 0.00000000000000 0.32086109560523 137.327 > 19 20 Ba 0.98158616140534 0.50000000000000 0.32086109560523 137.327 > 19 21 Ba 0.72002228998421 0.00000000000000 0.86565660551216 137.327 > 21 22 Ba 0.72002228998421 0.50000000000000 0.86565660551216 137.327 > 21 23 Ba 0.11338718980968 0.00000000000000 0.50928111223493 137.327 > 1 24 Ba 0.11338718980968 0.50000000000000 0.50928111223493 137.327 > 1 25 Ba 0.12623384448039 0.00000000000000 0.02043364646645 137.327 > 3 26 Ba 0.12623384448039 0.50000000000000 0.02043364646645 137.327 > 3 27 Ba 0.01841383859466 0.00000000000000 0.67913890439477 137.327 > 5 28 Ba 0.01841383859466 0.50000000000000 0.67913890439477 137.327 > 5 29 Ba 0.27997771001579 0.00000000000000 0.13434339448784 137.327 > 7 30 Ba 0.27997771001579 0.50000000000000 0.13434339448784 137.327 > 7 31 Ba 0.19922231836795 0.00000000000000 0.34742186325864 137.327 > 9 32 Ba 0.19922231836795 0.50000000000000 0.34742186325864 137.327 > 9 33 Ba 0.30077768163205 0.25000000000000 0.65257813674136 137.327 > 11 34 Ba 0.30077768163205 0.75000000000000 0.65257813674136 137.327 > 11 35 Ba 0.50000000000000 0.25000000000000 0.00000000000000 137.327 > 13 36 Ba 0.50000000000000 0.75000000000000 0.00000000000000 137.327 > 13 37 Ba 0.38661281019032 0.25000000000000 0.49071888776507 137.327 > 15 38 Ba 0.38661281019032 0.75000000000000 0.49071888776507 137.327 > 15 39 Ba 0.37376615551961 0.25000000000000 0.97956635353355 137.327 > 17 40 Ba 0.37376615551961 0.75000000000000 0.97956635353355 137.327 > 17 41 Ba 0.48158616140534 0.25000000000000 0.32086109560523 137.327 > 19 42 Ba 0.48158616140534 0.75000000000000 0.32086109560523 137.327 > 19 43 Ba 0.22002228998421 0.25000000000000 0.86565660551216 137.327 > 21 44 Ba 0.22002228998421 0.75000000000000 0.86565660551216 137.327 > 21 45 Cd 0.89997863058808 0.25000000000000 0.25558508861646 112.411 > 45 46 Cd 0.89997863058808 0.75000000000000 0.25558508861646 112.411 > 45 47 Cd 0.78171129996921 0.00000000000000 0.32862158432934 112.411 > 47 48 Cd 0.78171129996921 0.50000000000000 0.32862158432934 112.411 > 47 49 Cd 0.54562901669619 0.00000000000000 0.24466712528904 112.411 > 49 50 Cd 0.54562901669619 0.50000000000000 0.24466712528904 112.411 > 49 51 Cd 0.71828870003079 0.25000000000000 0.67137841567066 112.411 > 51 52 Cd 0.71828870003079 0.75000000000000 0.67137841567066 112.411 > 51 53 Cd 0.95437098330381 0.25000000000000 0.75533287471096 112.411 > 53 54 Cd 0.95437098330381 0.75000000000000 0.75533287471096 112.411 > 53 55 Cd 0.60002136941192 0.00000000000000 0.74441491138354 112.411 > 55 56 Cd 0.60002136941192 0.50000000000000 0.74441491138354 112.411 > 55 57 Cd 0.39997863058808 0.00000000000000 0.25558508861646 112.411 > 45 58 Cd 0.39997863058808 0.50000000000000 0.25558508861646 112.411 > 45 59 Cd 0.28171129996921 0.25000000000000 0.32862158432934 112.411 > 47 60 Cd 0.28171129996921 0.75000000000000 0.32862158432934 112.411 > 47 61 Cd 0.04562901669619 0.25000000000000 0.24466712528904 112.411 > 49 62 Cd 0.04562901669619 0.75000000000000 0.24466712528904 112.411 > 49 63 Cd 0.21828870003079 0.00000000000000 0.67137841567066 112.411 > 51 64 Cd 0.21828870003079 0.50000000000000 0.67137841567066 112.411 > 51 65 Cd 0.45437098330381 0.00000000000000 0.75533287471096 112.411 > 53 66 Cd 0.45437098330381 0.50000000000000 0.75533287471096 112.411 > 53 67 Cd 0.10002136941192 0.25000000000000 0.74441491138354 112.411 > 55 68 Cd 0.10002136941192 0.75000000000000 0.74441491138354 112.411 > 55 69 Sb 0.95313464063732 0.25000000000000 0.12077603613934 121.760 > 69 70 Sb 0.95313464063732 0.75000000000000 0.12077603613934 121.760 > 69 71 Sb 0.80755190847745 0.25000000000000 0.45633077487023 121.760 > 71 72 Sb 0.80755190847745 0.75000000000000 0.45633077487023 121.760 > 71 73 Sb 0.69244809152255 0.00000000000000 0.54366922512977 121.760 > 73 74 Sb 0.69244809152255 0.50000000000000 0.54366922512977 121.760 > 73 75 Sb 0.91393181556583 0.00000000000000 0.76442387154327 121.760 > 75 76 Sb 0.91393181556583 0.50000000000000 0.76442387154327 121.760 > 75 77 Sb 0.64790414462396 0.25000000000000 0.78340724261796 121.760 > 77 78 Sb 0.64790414462396 0.75000000000000 0.78340724261796 121.760 > 77 79 Sb 0.54686535936268 0.00000000000000 0.87922396386066 121.760 > 79 80 Sb 0.54686535936268 0.50000000000000 0.87922396386066 121.760 > 79 81 Sb 0.70599021889407 0.00000000000000 0.14370136310255 121.760 > 81 82 Sb 0.70599021889407 0.50000000000000 0.14370136310255 121.760 > 81 83 Sb 0.95777354845695 0.25000000000000 0.49542271440628 121.760 > 83 84 Sb 0.95777354845695 0.75000000000000 0.49542271440628 121.760 > 83 85 Sb 0.54222645154305 0.00000000000000 0.50457728559372 121.760 > 85 86 Sb 0.54222645154305 0.50000000000000 0.50457728559372 121.760 > 85 87 Sb 0.85209585537604 0.00000000000000 0.21659275738204 121.760 > 87 88 Sb 0.85209585537604 0.50000000000000 0.21659275738204 121.760 > 87 89 Sb 0.58606818443417 0.25000000000000 0.23557612845673 121.760 > 89 90 Sb 0.58606818443417 0.75000000000000 0.23557612845673 121.760 > 89 91 Sb 0.79400978110593 0.25000000000000 0.85629863689745 121.760 > 91 92 Sb 0.79400978110593 0.75000000000000 0.85629863689745 121.760 > 91 93 Sb 0.45313464063732 0.00000000000000 0.12077603613934 121.760 > 69 94 Sb 0.45313464063732 0.50000000000000 0.12077603613934 121.760 > 69 95 Sb 0.30755190847745 0.00000000000000 0.45633077487023 121.760 > 71 96 Sb 0.30755190847745 0.50000000000000 0.45633077487023 121.760 > 71 97 Sb 0.19244809152255 0.25000000000000 0.54366922512977 121.760 > 73 98 Sb 0.19244809152255 0.75000000000000 0.54366922512977 121.760 > 73 99 Sb 0.41393181556583 0.25000000000000 0.76442387154327 121.760 > 75 100 Sb 0.41393181556583 0.75000000000000 0.76442387154327 121.760 > 75 101 Sb 0.14790414462396 0.00000000000000 0.78340724261796 121.760 > 77 102 Sb 0.14790414462396 0.50000000000000 0.78340724261796 121.760 > 77 103 Sb 0.04686535936268 0.25000000000000 0.87922396386066 121.760 > 79 104 Sb 0.04686535936268 0.75000000000000 0.87922396386066 121.760 > 79 105 Sb 0.20599021889407 0.25000000000000 0.14370136310255 121.760 > 81 106 Sb 0.20599021889407 0.75000000000000 0.14370136310255 121.760 > 81 107 Sb 0.45777354845695 0.00000000000000 0.49542271440628 121.760 > 83 108 Sb 0.45777354845695 0.50000000000000 0.49542271440628 121.760 > 83 109 Sb 0.04222645154305 0.25000000000000 0.50457728559372 121.760 > 85 110 Sb 0.04222645154305 0.75000000000000 0.50457728559372 121.760 > 85 111 Sb 0.35209585537604 0.25000000000000 0.21659275738204 121.760 > 87 112 Sb 0.35209585537604 0.75000000000000 0.21659275738204 121.760 > 87 113 Sb 0.08606818443417 0.00000000000000 0.23557612845673 121.760 > 89 114 Sb 0.08606818443417 0.50000000000000 0.23557612845673 121.760 > 89 115 Sb 0.29400978110593 0.00000000000000 0.85629863689745 121.760 > 91 116 Sb 0.29400978110593 0.50000000000000 0.85629863689745 121.760 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 18.7176714 0.0000000 -3.3398045 0.0000000 31.3332705 0.0000000 -3.3396392 0.0000000 37.5098160 -------------------------- Born effective charges -------------------------- 1 Ba 2.8794021 0.0000000 0.5360281 0.0000000 3.8575082 0.0000000 0.5385437 0.0000000 1.6107588 2 Ba 3.3601036 0.0000000 0.2965156 0.0000000 3.6848814 0.0000000 1.4720635 0.0000000 4.1796854 3 Ba 1.9013635 0.0000000 -0.4629487 0.0000000 5.0440946 0.0000000 -0.0817938 0.0000000 4.8268740 4 Ba 2.4692807 0.0000000 0.5028121 0.0000000 3.1921694 0.0000000 0.0916994 0.0000000 2.2568045 5 Ba 3.4739131 0.0000000 -0.6622933 0.0000000 3.0299918 0.0000000 -1.2040119 0.0000000 2.9416200 6 Ba 3.4739131 0.0000000 -0.6622933 0.0000000 3.0299918 0.0000000 -1.2040119 0.0000000 2.9416200 7 Ba 2.7311260 0.0000000 -1.7189338 0.0000000 4.1449571 0.0000000 -2.9092753 0.0000000 5.6539897 8 Ba 2.8794021 0.0000000 0.5360281 0.0000000 3.8575082 0.0000000 0.5385437 0.0000000 1.6107588 9 Ba 3.3601036 0.0000000 0.2965156 0.0000000 3.6848814 0.0000000 1.4720635 0.0000000 4.1796854 10 Ba 1.9013635 0.0000000 -0.4629487 0.0000000 5.0440946 0.0000000 -0.0817938 0.0000000 4.8268740 11 Ba 2.4692807 0.0000000 0.5028121 0.0000000 3.1921694 0.0000000 0.0916994 0.0000000 2.2568045 12 Cd 2.1333571 0.0000000 -0.0097591 0.0000000 2.3031264 0.0000000 -0.1638049 0.0000000 1.5874858 13 Cd 1.9542208 0.0000000 -0.0404582 0.0000000 2.6253119 0.0000000 -0.2217913 0.0000000 1.5056738 14 Cd 1.9643784 0.0000000 0.4822025 0.0000000 2.6505172 0.0000000 -0.0696004 0.0000000 0.5440713 15 Cd 1.9542208 0.0000000 -0.0404582 0.0000000 2.6253119 0.0000000 -0.2217913 0.0000000 1.5056738 16 Cd 1.9643784 0.0000000 0.4822025 0.0000000 2.6505172 0.0000000 -0.0696004 0.0000000 0.5440713 17 Cd 2.1333571 0.0000000 -0.0097591 0.0000000 2.3031264 0.0000000 -0.1638049 0.0000000 1.5874858 18 Sb -4.5713524 0.0000000 0.5461682 0.0000000 -6.8628880 0.0000000 0.9106923 0.0000000 -5.6479557 19 Sb -3.8774948 0.0000000 0.3629983 0.0000000 -6.0333913 0.0000000 0.5743571 0.0000000 -3.1951812 20 Sb -3.8774948 0.0000000 0.3629983 0.0000000 -6.0333913 0.0000000 0.5743571 0.0000000 -3.1951812 21 Sb -3.4660959 0.0000000 -0.0593347 0.0000000 -2.5704990 0.0000000 0.6377238 0.0000000 -2.3752584 22 Sb -3.6276509 0.0000000 -0.4505539 0.0000000 -2.7740861 0.0000000 -0.4444865 0.0000000 -1.8878839 23 Sb -4.5713524 0.0000000 0.5461682 0.0000000 -6.8628880 0.0000000 0.9106923 0.0000000 -5.6479557 24 Sb -4.0971255 0.0000000 -0.4930705 0.0000000 -5.2295902 0.0000000 -0.6626590 0.0000000 -4.1035822 25 Sb -1.8618627 0.0000000 0.3111606 0.0000000 -4.9896249 0.0000000 0.0777058 0.0000000 -5.0701072 26 Sb -1.8618627 0.0000000 0.3111606 0.0000000 -4.9896249 0.0000000 0.0777058 0.0000000 -5.0701072 27 Sb -3.6276509 0.0000000 -0.4505539 0.0000000 -2.7740861 0.0000000 -0.4444865 0.0000000 -1.8878839 28 Sb -3.4660959 0.0000000 -0.0593347 0.0000000 -2.5704990 0.0000000 0.6377238 0.0000000 -2.3752584 29 Sb -4.0971255 0.0000000 -0.4930705 0.0000000 -5.2295902 0.0000000 -0.6626590 0.0000000 -4.1035822 ---------------------------------------------------------------------------- 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 7, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 45, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 47, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 71, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 75, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 77, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 83, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yzy) -0.00000001 (yzy) -0.00000001 (yyz) 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 18:50:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:50:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 16.957765640810777 -2.447318015000000 0.000000000000000 b 16.957765640810777 2.447318015000000 0.000000000000000 c -4.411006859014284 0.000000000000000 12.332798096651612 Atomic positions (fractional): 1 Ba 0.11338718980969 0.11338718980969 0.50928111223493 137.327 2 Ba 0.12623384448039 0.12623384448039 0.02043364646645 137.327 3 Ba 0.01841383859466 0.01841383859466 0.67913890439477 137.327 4 Ba 0.27997771001579 0.27997771001579 0.13434339448784 137.327 5 Ba 0.19922231836795 0.19922231836795 0.34742186325864 137.327 6 Ba 0.80077768163205 0.80077768163205 0.65257813674136 137.327 7 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 8 Ba 0.88661281019031 0.88661281019031 0.49071888776507 137.327 9 Ba 0.87376615551961 0.87376615551961 0.97956635353355 137.327 10 Ba 0.98158616140534 0.98158616140534 0.32086109560523 137.327 11 Ba 0.72002228998421 0.72002228998421 0.86565660551216 137.327 12 Cd 0.39997863058808 0.39997863058808 0.25558508861646 112.411 13 Cd 0.78171129996921 0.78171129996921 0.32862158432934 112.411 14 Cd 0.54562901669619 0.54562901669619 0.24466712528904 112.411 15 Cd 0.21828870003079 0.21828870003079 0.67137841567066 112.411 16 Cd 0.45437098330381 0.45437098330381 0.75533287471096 112.411 17 Cd 0.60002136941192 0.60002136941192 0.74441491138354 112.411 18 Sb 0.45313464063732 0.45313464063732 0.12077603613934 121.760 19 Sb 0.30755190847745 0.30755190847745 0.45633077487023 121.760 20 Sb 0.69244809152255 0.69244809152255 0.54366922512977 121.760 21 Sb 0.91393181556583 0.91393181556583 0.76442387154327 121.760 22 Sb 0.14790414462396 0.14790414462396 0.78340724261796 121.760 23 Sb 0.54686535936268 0.54686535936268 0.87922396386066 121.760 24 Sb 0.70599021889407 0.70599021889407 0.14370136310255 121.760 25 Sb 0.45777354845695 0.45777354845695 0.49542271440628 121.760 26 Sb 0.54222645154305 0.54222645154305 0.50457728559372 121.760 27 Sb 0.85209585537604 0.85209585537604 0.21659275738204 121.760 28 Sb 0.08606818443417 0.08606818443417 0.23557612845673 121.760 29 Sb 0.29400978110593 0.29400978110593 0.85629863689745 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 33.915531281621554 0.000000000000000 0.000000000000000 b 0.000000000000000 9.789272060000000 0.000000000000000 c -4.411006859014284 0.000000000000000 12.332798096651612 Atomic positions (fractional): 1 Ba 0.61338718980969 0.25000000000000 0.50928111223493 137.327 > 1 2 Ba 0.61338718980969 0.75000000000000 0.50928111223493 137.327 > 1 3 Ba 0.62623384448039 0.25000000000000 0.02043364646645 137.327 > 3 4 Ba 0.62623384448039 0.75000000000000 0.02043364646645 137.327 > 3 5 Ba 0.51841383859466 0.25000000000000 0.67913890439477 137.327 > 5 6 Ba 0.51841383859466 0.75000000000000 0.67913890439477 137.327 > 5 7 Ba 0.77997771001579 0.25000000000000 0.13434339448784 137.327 > 7 8 Ba 0.77997771001579 0.75000000000000 0.13434339448784 137.327 > 7 9 Ba 0.69922231836795 0.25000000000000 0.34742186325864 137.327 > 9 10 Ba 0.69922231836795 0.75000000000000 0.34742186325864 137.327 > 9 11 Ba 0.80077768163205 0.00000000000000 0.65257813674136 137.327 > 11 12 Ba 0.80077768163205 0.50000000000000 0.65257813674136 137.327 > 11 13 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 13 14 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 > 13 15 Ba 0.88661281019031 0.00000000000000 0.49071888776507 137.327 > 15 16 Ba 0.88661281019031 0.50000000000000 0.49071888776507 137.327 > 15 17 Ba 0.87376615551961 0.00000000000000 0.97956635353355 137.327 > 17 18 Ba 0.87376615551961 0.50000000000000 0.97956635353355 137.327 > 17 19 Ba 0.98158616140534 0.00000000000000 0.32086109560523 137.327 > 19 20 Ba 0.98158616140534 0.50000000000000 0.32086109560523 137.327 > 19 21 Ba 0.72002228998421 0.00000000000000 0.86565660551216 137.327 > 21 22 Ba 0.72002228998421 0.50000000000000 0.86565660551216 137.327 > 21 23 Ba 0.11338718980968 0.00000000000000 0.50928111223493 137.327 > 1 24 Ba 0.11338718980968 0.50000000000000 0.50928111223493 137.327 > 1 25 Ba 0.12623384448039 0.00000000000000 0.02043364646645 137.327 > 3 26 Ba 0.12623384448039 0.50000000000000 0.02043364646645 137.327 > 3 27 Ba 0.01841383859466 0.00000000000000 0.67913890439477 137.327 > 5 28 Ba 0.01841383859466 0.50000000000000 0.67913890439477 137.327 > 5 29 Ba 0.27997771001579 0.00000000000000 0.13434339448784 137.327 > 7 30 Ba 0.27997771001579 0.50000000000000 0.13434339448784 137.327 > 7 31 Ba 0.19922231836795 0.00000000000000 0.34742186325864 137.327 > 9 32 Ba 0.19922231836795 0.50000000000000 0.34742186325864 137.327 > 9 33 Ba 0.30077768163205 0.25000000000000 0.65257813674136 137.327 > 11 34 Ba 0.30077768163205 0.75000000000000 0.65257813674136 137.327 > 11 35 Ba 0.50000000000000 0.25000000000000 0.00000000000000 137.327 > 13 36 Ba 0.50000000000000 0.75000000000000 0.00000000000000 137.327 > 13 37 Ba 0.38661281019032 0.25000000000000 0.49071888776507 137.327 > 15 38 Ba 0.38661281019032 0.75000000000000 0.49071888776507 137.327 > 15 39 Ba 0.37376615551961 0.25000000000000 0.97956635353355 137.327 > 17 40 Ba 0.37376615551961 0.75000000000000 0.97956635353355 137.327 > 17 41 Ba 0.48158616140534 0.25000000000000 0.32086109560523 137.327 > 19 42 Ba 0.48158616140534 0.75000000000000 0.32086109560523 137.327 > 19 43 Ba 0.22002228998421 0.25000000000000 0.86565660551216 137.327 > 21 44 Ba 0.22002228998421 0.75000000000000 0.86565660551216 137.327 > 21 45 Cd 0.89997863058808 0.25000000000000 0.25558508861646 112.411 > 45 46 Cd 0.89997863058808 0.75000000000000 0.25558508861646 112.411 > 45 47 Cd 0.78171129996921 0.00000000000000 0.32862158432934 112.411 > 47 48 Cd 0.78171129996921 0.50000000000000 0.32862158432934 112.411 > 47 49 Cd 0.54562901669619 0.00000000000000 0.24466712528904 112.411 > 49 50 Cd 0.54562901669619 0.50000000000000 0.24466712528904 112.411 > 49 51 Cd 0.71828870003079 0.25000000000000 0.67137841567066 112.411 > 51 52 Cd 0.71828870003079 0.75000000000000 0.67137841567066 112.411 > 51 53 Cd 0.95437098330381 0.25000000000000 0.75533287471096 112.411 > 53 54 Cd 0.95437098330381 0.75000000000000 0.75533287471096 112.411 > 53 55 Cd 0.60002136941192 0.00000000000000 0.74441491138354 112.411 > 55 56 Cd 0.60002136941192 0.50000000000000 0.74441491138354 112.411 > 55 57 Cd 0.39997863058808 0.00000000000000 0.25558508861646 112.411 > 45 58 Cd 0.39997863058808 0.50000000000000 0.25558508861646 112.411 > 45 59 Cd 0.28171129996921 0.25000000000000 0.32862158432934 112.411 > 47 60 Cd 0.28171129996921 0.75000000000000 0.32862158432934 112.411 > 47 61 Cd 0.04562901669619 0.25000000000000 0.24466712528904 112.411 > 49 62 Cd 0.04562901669619 0.75000000000000 0.24466712528904 112.411 > 49 63 Cd 0.21828870003079 0.00000000000000 0.67137841567066 112.411 > 51 64 Cd 0.21828870003079 0.50000000000000 0.67137841567066 112.411 > 51 65 Cd 0.45437098330381 0.00000000000000 0.75533287471096 112.411 > 53 66 Cd 0.45437098330381 0.50000000000000 0.75533287471096 112.411 > 53 67 Cd 0.10002136941192 0.25000000000000 0.74441491138354 112.411 > 55 68 Cd 0.10002136941192 0.75000000000000 0.74441491138354 112.411 > 55 69 Sb 0.95313464063732 0.25000000000000 0.12077603613934 121.760 > 69 70 Sb 0.95313464063732 0.75000000000000 0.12077603613934 121.760 > 69 71 Sb 0.80755190847745 0.25000000000000 0.45633077487023 121.760 > 71 72 Sb 0.80755190847745 0.75000000000000 0.45633077487023 121.760 > 71 73 Sb 0.69244809152255 0.00000000000000 0.54366922512977 121.760 > 73 74 Sb 0.69244809152255 0.50000000000000 0.54366922512977 121.760 > 73 75 Sb 0.91393181556583 0.00000000000000 0.76442387154327 121.760 > 75 76 Sb 0.91393181556583 0.50000000000000 0.76442387154327 121.760 > 75 77 Sb 0.64790414462396 0.25000000000000 0.78340724261796 121.760 > 77 78 Sb 0.64790414462396 0.75000000000000 0.78340724261796 121.760 > 77 79 Sb 0.54686535936268 0.00000000000000 0.87922396386066 121.760 > 79 80 Sb 0.54686535936268 0.50000000000000 0.87922396386066 121.760 > 79 81 Sb 0.70599021889407 0.00000000000000 0.14370136310255 121.760 > 81 82 Sb 0.70599021889407 0.50000000000000 0.14370136310255 121.760 > 81 83 Sb 0.95777354845695 0.25000000000000 0.49542271440628 121.760 > 83 84 Sb 0.95777354845695 0.75000000000000 0.49542271440628 121.760 > 83 85 Sb 0.54222645154305 0.00000000000000 0.50457728559372 121.760 > 85 86 Sb 0.54222645154305 0.50000000000000 0.50457728559372 121.760 > 85 87 Sb 0.85209585537604 0.00000000000000 0.21659275738204 121.760 > 87 88 Sb 0.85209585537604 0.50000000000000 0.21659275738204 121.760 > 87 89 Sb 0.58606818443417 0.25000000000000 0.23557612845673 121.760 > 89 90 Sb 0.58606818443417 0.75000000000000 0.23557612845673 121.760 > 89 91 Sb 0.79400978110593 0.25000000000000 0.85629863689745 121.760 > 91 92 Sb 0.79400978110593 0.75000000000000 0.85629863689745 121.760 > 91 93 Sb 0.45313464063732 0.00000000000000 0.12077603613934 121.760 > 69 94 Sb 0.45313464063732 0.50000000000000 0.12077603613934 121.760 > 69 95 Sb 0.30755190847745 0.00000000000000 0.45633077487023 121.760 > 71 96 Sb 0.30755190847745 0.50000000000000 0.45633077487023 121.760 > 71 97 Sb 0.19244809152255 0.25000000000000 0.54366922512977 121.760 > 73 98 Sb 0.19244809152255 0.75000000000000 0.54366922512977 121.760 > 73 99 Sb 0.41393181556583 0.25000000000000 0.76442387154327 121.760 > 75 100 Sb 0.41393181556583 0.75000000000000 0.76442387154327 121.760 > 75 101 Sb 0.14790414462396 0.00000000000000 0.78340724261796 121.760 > 77 102 Sb 0.14790414462396 0.50000000000000 0.78340724261796 121.760 > 77 103 Sb 0.04686535936268 0.25000000000000 0.87922396386066 121.760 > 79 104 Sb 0.04686535936268 0.75000000000000 0.87922396386066 121.760 > 79 105 Sb 0.20599021889407 0.25000000000000 0.14370136310255 121.760 > 81 106 Sb 0.20599021889407 0.75000000000000 0.14370136310255 121.760 > 81 107 Sb 0.45777354845695 0.00000000000000 0.49542271440628 121.760 > 83 108 Sb 0.45777354845695 0.50000000000000 0.49542271440628 121.760 > 83 109 Sb 0.04222645154305 0.25000000000000 0.50457728559372 121.760 > 85 110 Sb 0.04222645154305 0.75000000000000 0.50457728559372 121.760 > 85 111 Sb 0.35209585537604 0.25000000000000 0.21659275738204 121.760 > 87 112 Sb 0.35209585537604 0.75000000000000 0.21659275738204 121.760 > 87 113 Sb 0.08606818443417 0.00000000000000 0.23557612845673 121.760 > 89 114 Sb 0.08606818443417 0.50000000000000 0.23557612845673 121.760 > 89 115 Sb 0.29400978110593 0.00000000000000 0.85629863689745 121.760 > 91 116 Sb 0.29400978110593 0.50000000000000 0.85629863689745 121.760 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 18.7176714 0.0000000 -3.3398045 0.0000000 31.3332705 0.0000000 -3.3396392 0.0000000 37.5098160 -------------------------- Born effective charges -------------------------- 1 Ba 2.8794021 0.0000000 0.5360281 0.0000000 3.8575082 0.0000000 0.5385437 0.0000000 1.6107588 2 Ba 3.3601036 0.0000000 0.2965156 0.0000000 3.6848814 0.0000000 1.4720635 0.0000000 4.1796854 3 Ba 1.9013635 0.0000000 -0.4629487 0.0000000 5.0440946 0.0000000 -0.0817938 0.0000000 4.8268740 4 Ba 2.4692807 0.0000000 0.5028121 0.0000000 3.1921694 0.0000000 0.0916994 0.0000000 2.2568045 5 Ba 3.4739131 0.0000000 -0.6622933 0.0000000 3.0299918 0.0000000 -1.2040119 0.0000000 2.9416200 6 Ba 3.4739131 0.0000000 -0.6622933 0.0000000 3.0299918 0.0000000 -1.2040119 0.0000000 2.9416200 7 Ba 2.7311260 0.0000000 -1.7189338 0.0000000 4.1449571 0.0000000 -2.9092753 0.0000000 5.6539897 8 Ba 2.8794021 0.0000000 0.5360281 0.0000000 3.8575082 0.0000000 0.5385437 0.0000000 1.6107588 9 Ba 3.3601036 0.0000000 0.2965156 0.0000000 3.6848814 0.0000000 1.4720635 0.0000000 4.1796854 10 Ba 1.9013635 0.0000000 -0.4629487 0.0000000 5.0440946 0.0000000 -0.0817938 0.0000000 4.8268740 11 Ba 2.4692807 0.0000000 0.5028121 0.0000000 3.1921694 0.0000000 0.0916994 0.0000000 2.2568045 12 Cd 2.1333571 0.0000000 -0.0097591 0.0000000 2.3031264 0.0000000 -0.1638049 0.0000000 1.5874858 13 Cd 1.9542208 0.0000000 -0.0404582 0.0000000 2.6253119 0.0000000 -0.2217913 0.0000000 1.5056738 14 Cd 1.9643784 0.0000000 0.4822025 0.0000000 2.6505172 0.0000000 -0.0696004 0.0000000 0.5440713 15 Cd 1.9542208 0.0000000 -0.0404582 0.0000000 2.6253119 0.0000000 -0.2217913 0.0000000 1.5056738 16 Cd 1.9643784 0.0000000 0.4822025 0.0000000 2.6505172 0.0000000 -0.0696004 0.0000000 0.5440713 17 Cd 2.1333571 0.0000000 -0.0097591 0.0000000 2.3031264 0.0000000 -0.1638049 0.0000000 1.5874858 18 Sb -4.5713524 0.0000000 0.5461682 0.0000000 -6.8628880 0.0000000 0.9106923 0.0000000 -5.6479557 19 Sb -3.8774948 0.0000000 0.3629983 0.0000000 -6.0333913 0.0000000 0.5743571 0.0000000 -3.1951812 20 Sb -3.8774948 0.0000000 0.3629983 0.0000000 -6.0333913 0.0000000 0.5743571 0.0000000 -3.1951812 21 Sb -3.4660959 0.0000000 -0.0593347 0.0000000 -2.5704990 0.0000000 0.6377238 0.0000000 -2.3752584 22 Sb -3.6276509 0.0000000 -0.4505539 0.0000000 -2.7740861 0.0000000 -0.4444865 0.0000000 -1.8878839 23 Sb -4.5713524 0.0000000 0.5461682 0.0000000 -6.8628880 0.0000000 0.9106923 0.0000000 -5.6479557 24 Sb -4.0971255 0.0000000 -0.4930705 0.0000000 -5.2295902 0.0000000 -0.6626590 0.0000000 -4.1035822 25 Sb -1.8618627 0.0000000 0.3111606 0.0000000 -4.9896249 0.0000000 0.0777058 0.0000000 -5.0701072 26 Sb -1.8618627 0.0000000 0.3111606 0.0000000 -4.9896249 0.0000000 0.0777058 0.0000000 -5.0701072 27 Sb -3.6276509 0.0000000 -0.4505539 0.0000000 -2.7740861 0.0000000 -0.4444865 0.0000000 -1.8878839 28 Sb -3.4660959 0.0000000 -0.0593347 0.0000000 -2.5704990 0.0000000 0.6377238 0.0000000 -2.3752584 29 Sb -4.0971255 0.0000000 -0.4930705 0.0000000 -5.2295902 0.0000000 -0.6626590 0.0000000 -4.1035822 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yzy) -0.00000001 (yzy) -0.00000001 (yyz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 4 ] 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: 0.41, Number of G-points: 283, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/117) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 117 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 0.817 ( 0.000 0.000 0.000) 0.000 0.901 ( 0.000 0.000 0.000) 0.000 0.961 ( 0.000 0.000 0.000) 0.000 1.042 ( 0.000 0.000 0.000) 0.000 1.058 ( 0.000 0.000 0.000) 0.000 1.080 ( 0.000 0.000 0.000) 0.000 1.107 ( 0.000 0.000 0.000) 0.000 1.144 ( 0.000 0.000 0.000) 0.000 1.185 ( 0.000 0.000 0.000) 0.000 1.234 ( 0.000 0.000 0.000) 0.000 1.245 ( 0.000 0.000 0.000) 0.000 1.267 ( 0.000 0.000 0.000) 0.000 1.357 ( 0.000 0.000 0.000) 0.000 1.389 ( 0.000 0.000 0.000) 0.000 1.471 ( 0.000 0.000 0.000) 0.000 1.476 ( 0.000 0.000 0.000) 0.000 1.484 ( 0.000 0.000 0.000) 0.000 1.510 ( 0.000 0.000 0.000) 0.000 1.539 ( 0.000 0.000 0.000) 0.000 1.565 ( 0.000 0.000 0.000) 0.000 1.567 ( 0.000 0.000 0.000) 0.000 1.753 ( 0.000 0.000 0.000) 0.000 1.756 ( 0.000 0.000 0.000) 0.000 1.812 ( 0.000 0.000 0.000) 0.000 1.825 ( 0.000 0.000 0.000) 0.000 1.910 ( 0.000 0.000 0.000) 0.000 1.934 ( 0.000 0.000 0.000) 0.000 1.970 ( 0.000 0.000 0.000) 0.000 1.998 ( 0.000 0.000 0.000) 0.000 2.013 ( 0.000 0.000 0.000) 0.000 2.082 ( 0.000 0.000 0.000) 0.000 2.101 ( 0.000 0.000 0.000) 0.000 2.150 ( 0.000 0.000 0.000) 0.000 2.150 ( 0.000 0.000 0.000) 0.000 2.245 ( 0.000 0.000 0.000) 0.000 2.273 ( 0.000 0.000 0.000) 0.000 2.298 ( 0.000 0.000 0.000) 0.000 2.312 ( 0.000 0.000 0.000) 0.000 2.320 ( 0.000 0.000 0.000) 0.000 2.346 ( 0.000 0.000 0.000) 0.000 2.352 ( 0.000 0.000 0.000) 0.000 2.369 ( 0.000 0.000 0.000) 0.000 2.438 ( 0.000 0.000 0.000) 0.000 2.498 ( 0.000 0.000 0.000) 0.000 2.514 ( 0.000 0.000 0.000) 0.000 2.590 ( 0.000 0.000 0.000) 0.000 2.638 ( 0.000 0.000 0.000) 0.000 2.660 ( 0.000 0.000 0.000) 0.000 2.755 ( 0.000 0.000 0.000) 0.000 2.789 ( 0.000 0.000 0.000) 0.000 2.881 ( 0.000 0.000 0.000) 0.000 2.934 ( 0.000 0.000 0.000) 0.000 2.939 ( 0.000 0.000 0.000) 0.000 2.953 ( 0.000 0.000 0.000) 0.000 3.063 ( 0.000 0.000 0.000) 0.000 3.080 ( 0.000 0.000 0.000) 0.000 3.087 ( 0.000 0.000 0.000) 0.000 3.158 ( 0.000 0.000 0.000) 0.000 3.160 ( 0.000 0.000 0.000) 0.000 3.183 ( 0.000 0.000 0.000) 0.000 3.245 ( 0.000 0.000 0.000) 0.000 3.279 ( 0.000 0.000 0.000) 0.000 3.393 ( 0.000 0.000 0.000) 0.000 3.415 ( 0.000 0.000 0.000) 0.000 3.430 ( 0.000 0.000 0.000) 0.000 3.475 ( 0.000 0.000 0.000) 0.000 3.537 ( 0.000 0.000 0.000) 0.000 3.650 ( 0.000 0.000 0.000) 0.000 3.671 ( 0.000 0.000 0.000) 0.000 3.834 ( 0.000 0.000 0.000) 0.000 3.840 ( 0.000 0.000 0.000) 0.000 3.845 ( 0.000 0.000 0.000) 0.000 3.857 ( 0.000 0.000 0.000) 0.000 3.938 ( 0.000 0.000 0.000) 0.000 3.945 ( 0.000 0.000 0.000) 0.000 3.981 ( 0.000 0.000 0.000) 0.000 4.166 ( 0.000 0.000 0.000) 0.000 4.349 ( 0.000 0.000 0.000) 0.000 4.354 ( 0.000 0.000 0.000) 0.000 4.361 ( 0.000 0.000 0.000) 0.000 4.459 ( 0.000 0.000 0.000) 0.000 4.528 ( 0.000 0.000 0.000) 0.000 4.554 ( 0.000 0.000 0.000) 0.000 5.334 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/117) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.390 ( 1.841 -18.357 0.985) 18.475 0.418 ( 2.239 -19.788 1.197) 19.950 0.764 ( 3.586 -34.905 1.290) 35.113 0.874 ( -3.719 -5.884 -1.165) 7.058 0.912 ( 0.082 -2.317 -1.114) 2.573 1.033 ( 0.332 1.653 1.162) 2.048 1.076 ( -1.402 1.225 -1.416) 2.339 1.118 ( -4.265 -1.510 2.648) 5.242 1.145 ( 5.572 -0.744 -2.977) 6.361 1.169 ( -0.734 -3.074 -0.571) 3.211 1.174 ( -0.592 -6.857 0.878) 6.938 1.228 ( -1.086 -1.940 -2.512) 3.354 1.260 ( 3.009 -5.571 2.659) 6.867 1.319 ( -1.539 -6.546 -0.280) 6.730 1.356 ( 0.752 -4.556 -0.505) 4.645 1.425 ( -0.442 -5.354 -3.100) 6.202 1.442 ( 0.235 -4.538 4.915) 6.694 1.496 ( -2.272 -2.707 -1.871) 3.999 1.510 ( 0.077 -1.914 1.895) 2.695 1.535 ( -0.748 -6.660 0.023) 6.702 1.539 ( 0.984 -5.837 0.874) 5.983 1.577 ( -0.175 -2.971 0.031) 2.977 1.617 ( 2.977 -4.420 -0.365) 5.342 1.682 ( 0.116 -9.552 0.110) 9.554 1.810 ( -1.409 -0.089 -0.407) 1.469 1.816 ( 0.812 -1.183 -1.093) 1.804 1.872 ( -0.936 -4.133 -0.265) 4.246 1.942 ( 0.184 -2.362 -2.518) 3.457 1.947 ( -1.149 -5.768 1.948) 6.196 1.971 ( -0.071 -0.840 0.442) 0.952 2.018 ( -1.180 1.152 0.294) 1.675 2.067 ( -4.213 -7.737 -1.231) 8.896 2.078 ( -1.835 -0.944 -2.125) 2.962 2.098 ( 0.645 -3.447 3.314) 4.825 2.134 ( 3.581 0.654 -0.841) 3.736 2.195 ( -1.927 -3.664 -3.115) 5.181 2.210 ( 0.652 -1.896 2.946) 3.564 2.249 ( 0.770 -1.842 0.305) 2.020 2.296 ( -2.472 0.642 1.680) 3.057 2.315 ( -0.177 0.143 -0.895) 0.923 2.322 ( -4.317 -1.522 2.257) 5.104 2.345 ( 3.973 -2.880 -3.520) 6.039 2.348 ( 0.689 -3.010 0.033) 3.088 2.392 ( 0.185 -6.543 -0.972) 6.617 2.428 ( 0.303 3.744 1.117) 3.919 2.447 ( -0.388 -1.411 1.695) 2.239 2.463 ( 0.387 -4.355 1.142) 4.518 2.505 ( 2.649 0.343 -0.530) 2.723 2.590 ( -0.475 2.008 0.882) 2.244 2.662 ( -0.215 -1.285 -2.849) 3.133 2.667 ( 0.585 -1.474 1.398) 2.114 2.720 ( 0.592 2.994 0.734) 3.139 2.810 ( -0.582 -2.176 0.695) 2.357 2.901 ( 0.183 1.306 -0.205) 1.334 2.919 ( -0.180 0.551 -1.136) 1.275 2.966 ( -1.910 0.265 0.029) 1.928 2.972 ( -0.088 -0.653 -1.527) 1.663 3.006 ( -1.423 4.454 0.340) 4.688 3.049 ( 0.611 1.609 -0.917) 1.950 3.077 ( 0.244 -0.194 1.029) 1.075 3.172 ( 0.632 1.291 1.461) 2.050 3.211 ( 0.248 -0.778 0.675) 1.059 3.240 ( -1.496 -1.750 -0.212) 2.312 3.280 ( -0.216 -0.047 -0.161) 0.273 3.314 ( 0.110 1.683 -1.012) 1.967 3.399 ( -1.430 1.852 0.040) 2.340 3.406 ( -1.832 -0.821 -0.675) 2.118 3.424 ( -1.034 -0.144 0.070) 1.047 3.473 ( 1.681 0.523 0.042) 1.761 3.501 ( 0.338 3.052 0.360) 3.092 3.655 ( -0.765 -0.258 -0.113) 0.815 3.662 ( 0.512 0.648 0.459) 0.945 3.790 ( -0.960 4.058 -0.522) 4.203 3.824 ( -0.425 1.578 0.254) 1.653 3.891 ( 0.000 -1.966 0.446) 2.016 3.931 ( -1.970 -0.016 -0.433) 2.017 3.941 ( 0.688 0.226 -0.527) 0.896 3.962 ( -0.570 1.454 -0.594) 1.671 3.990 ( 2.112 0.840 0.968) 2.471 4.138 ( -0.916 2.266 -0.071) 2.445 4.320 ( 0.003 2.451 0.036) 2.451 4.362 ( -0.014 0.153 -0.016) 0.154 4.402 ( -0.988 3.565 -0.680) 3.761 4.406 ( -0.136 -0.566 0.374) 0.692 4.557 ( -0.045 0.162 -0.029) 0.170 4.590 ( -0.422 0.979 -0.260) 1.098 5.325 ( -0.061 0.744 0.001) 0.747 ======================= Grid point 2 (3/117) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 1.477 -15.781 1.158) 15.892 0.805 ( 1.140 -16.488 1.098) 16.564 0.936 ( -1.034 1.459 -0.873) 1.990 1.009 ( -3.536 -7.667 -0.968) 8.499 1.049 ( -3.489 -4.558 -1.612) 5.962 1.070 ( 3.247 -5.006 1.372) 6.123 1.129 ( -1.238 -1.086 0.672) 1.779 1.173 ( -0.610 -1.723 -0.685) 1.952 1.224 ( 1.616 -3.956 0.772) 4.343 1.257 ( 0.508 -3.805 -0.114) 3.841 1.325 ( -1.026 -4.079 -3.434) 5.430 1.371 ( 0.745 -7.794 3.998) 8.791 1.384 ( 4.751 -4.033 0.061) 6.233 1.470 ( -0.849 -6.149 -2.392) 6.653 1.477 ( 0.898 -17.128 0.417) 17.157 1.516 ( 0.378 -2.572 1.232) 2.877 1.530 ( 0.777 -7.197 0.390) 7.250 1.593 ( -1.623 -4.658 1.014) 5.036 1.617 ( -0.581 -8.557 -0.424) 8.587 1.637 ( -0.448 -4.624 0.929) 4.738 1.702 ( -1.322 -7.509 -0.267) 7.629 1.739 ( -0.118 -8.057 0.323) 8.065 1.784 ( 0.973 -0.998 -0.986) 1.707 1.796 ( 0.407 -8.923 0.455) 8.944 1.829 ( -0.298 -1.543 -0.108) 1.575 1.873 ( 0.614 -6.409 -0.034) 6.438 1.888 ( 1.741 -0.877 0.294) 1.971 1.980 ( -1.364 0.506 0.518) 1.544 1.990 ( -0.409 -1.012 -0.799) 1.353 2.018 ( -0.018 -3.499 -0.595) 3.549 2.065 ( -0.088 -1.560 -0.713) 1.718 2.069 ( -2.712 -0.907 2.397) 3.732 2.108 ( -0.601 -0.838 -1.024) 1.454 2.188 ( 1.157 -1.078 0.535) 1.669 2.211 ( -2.593 -1.520 0.045) 3.006 2.257 ( 0.345 -0.879 -1.393) 1.683 2.262 ( -0.393 0.486 1.790) 1.896 2.273 ( 0.025 -0.196 -0.340) 0.393 2.308 ( 0.093 -4.344 1.100) 4.482 2.326 ( -1.936 -7.705 -1.433) 8.073 2.352 ( -0.592 -2.665 0.208) 2.737 2.414 ( -2.326 -2.890 -1.263) 3.919 2.453 ( -1.142 -4.426 -0.075) 4.572 2.456 ( 0.102 -5.544 -0.212) 5.549 2.475 ( -0.337 -1.045 -0.663) 1.283 2.493 ( -2.459 -3.788 -1.110) 4.650 2.559 ( 2.212 -2.782 3.295) 4.847 2.562 ( 1.248 -4.747 -1.986) 5.295 2.596 ( 2.506 -8.389 4.189) 9.706 2.650 ( 1.441 2.742 -0.393) 3.123 2.680 ( -0.489 -1.467 -0.735) 1.712 2.728 ( 0.066 -2.366 0.012) 2.366 2.853 ( -0.972 -0.159 0.977) 1.388 2.876 ( -1.533 3.461 -0.864) 3.883 2.894 ( -1.594 2.821 -0.637) 3.303 2.914 ( -0.069 1.691 -1.012) 1.972 2.932 ( -0.781 -1.949 -3.140) 3.778 2.956 ( -0.245 2.082 2.346) 3.146 3.021 ( 2.181 1.657 0.384) 2.766 3.117 ( -0.524 -3.043 1.476) 3.423 3.151 ( 0.499 0.239 0.203) 0.590 3.198 ( -1.471 0.687 0.504) 1.700 3.253 ( -1.441 0.822 1.095) 1.989 3.291 ( 0.983 -1.106 -1.104) 1.846 3.314 ( -0.193 -1.282 -0.700) 1.473 3.343 ( -0.684 2.892 0.215) 2.979 3.401 ( -1.975 0.730 -4.851) 5.289 3.422 ( -1.058 0.222 1.978) 2.254 3.450 ( -1.823 0.144 1.835) 2.591 3.476 ( 1.757 0.060 -0.023) 1.758 3.642 ( -1.113 0.428 -0.245) 1.218 3.667 ( -0.041 -0.553 0.320) 0.641 3.705 ( -0.348 3.166 -0.110) 3.187 3.787 ( -1.069 1.480 -0.097) 1.829 3.901 ( -0.267 0.579 0.315) 0.711 3.923 ( -0.875 1.826 -0.079) 2.026 3.931 ( -1.499 -0.072 0.932) 1.766 3.939 ( -0.330 1.091 -0.835) 1.413 3.959 ( 2.157 2.054 -0.591) 3.036 4.081 ( -1.552 2.793 -0.076) 3.197 4.280 ( 0.070 1.240 -0.055) 1.244 4.315 ( -0.681 2.848 -0.025) 2.929 4.357 ( -0.350 1.087 -0.126) 1.149 4.418 ( -0.000 0.149 0.045) 0.155 4.536 ( -0.028 1.961 -0.041) 1.962 4.551 ( -0.274 2.732 -0.121) 2.749 5.308 ( -0.057 0.869 0.004) 0.871 ======================= Grid point 3 (4/117) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -0.143 -1.346 0.314) 1.390 1.026 ( 1.015 -9.452 1.647) 9.648 1.036 ( 0.517 -7.004 0.492) 7.041 1.143 ( -1.181 -5.203 0.467) 5.356 1.156 ( -0.360 -2.949 -1.134) 3.180 1.179 ( -1.057 -2.069 -0.098) 2.326 1.182 ( -0.288 -5.629 1.474) 5.826 1.222 ( 2.283 -6.069 -1.162) 6.588 1.344 ( 0.770 -7.454 -0.343) 7.501 1.352 ( -1.162 -3.448 -4.045) 5.441 1.391 ( 0.390 -6.352 2.767) 6.939 1.451 ( -0.391 -2.342 3.914) 4.578 1.475 ( 2.746 -3.609 -1.920) 4.925 1.504 ( -1.682 -0.301 -0.873) 1.918 1.608 ( 0.473 -0.230 -4.784) 4.813 1.621 ( -2.074 -2.727 3.603) 4.972 1.637 ( 0.154 -5.032 -0.126) 5.036 1.651 ( 0.174 -2.204 0.101) 2.213 1.721 ( -3.090 -3.709 0.743) 4.884 1.773 ( -0.334 -4.089 0.433) 4.125 1.791 ( -2.312 2.767 1.450) 3.886 1.806 ( -0.439 -4.674 -0.436) 4.715 1.836 ( -2.180 -3.103 -0.630) 3.844 1.886 ( -1.155 -0.417 -1.478) 1.922 1.928 ( 1.887 -1.365 0.406) 2.365 1.954 ( 0.456 -0.925 -1.160) 1.552 1.975 ( 0.302 -2.208 -0.336) 2.254 2.005 ( -1.359 -0.964 0.011) 1.666 2.044 ( 0.345 -5.247 1.633) 5.506 2.068 ( 0.564 -2.727 -0.202) 2.792 2.092 ( -0.237 0.409 2.389) 2.435 2.109 ( 2.775 -3.637 -1.694) 4.878 2.129 ( 2.107 -0.145 1.392) 2.529 2.143 ( 1.760 -2.673 -1.057) 3.371 2.212 ( -0.450 -0.847 1.661) 1.918 2.243 ( -0.402 0.728 0.564) 1.005 2.303 ( -1.759 0.611 0.799) 2.027 2.329 ( -0.118 -1.174 -0.821) 1.438 2.365 ( 1.950 -2.133 -5.083) 5.847 2.394 ( -1.137 0.419 0.895) 1.507 2.404 ( 0.029 -4.285 1.857) 4.670 2.434 ( -0.861 -3.948 0.965) 4.154 2.477 ( -2.444 2.392 1.076) 3.585 2.541 ( 0.253 -1.071 0.625) 1.265 2.563 ( -3.681 -4.888 -1.423) 6.283 2.588 ( -0.843 -2.493 -1.564) 3.061 2.616 ( -0.567 -1.854 -0.607) 2.031 2.641 ( 1.003 -4.530 2.681) 5.359 2.698 ( -1.002 -3.414 -0.178) 3.562 2.709 ( -1.154 -1.283 0.163) 1.733 2.748 ( -1.167 0.713 -1.980) 2.406 2.782 ( -2.890 -4.833 0.762) 5.682 2.806 ( -1.426 -2.043 -1.750) 3.045 2.829 ( 0.498 1.163 -0.174) 1.277 2.858 ( 1.389 -1.025 1.086) 2.040 2.903 ( 0.164 0.767 -2.344) 2.472 2.910 ( 0.098 -1.825 1.141) 2.155 3.008 ( 1.132 -2.996 0.750) 3.290 3.062 ( 1.845 -5.775 1.392) 6.221 3.154 ( -0.023 0.405 1.732) 1.779 3.182 ( -0.734 -2.938 -1.031) 3.199 3.201 ( -0.945 -2.317 0.523) 2.556 3.276 ( -0.283 -3.772 1.319) 4.006 3.293 ( 0.412 1.262 -0.133) 1.334 3.305 ( 0.030 -1.403 -0.074) 1.405 3.343 ( -0.572 -1.142 -4.271) 4.457 3.398 ( -1.018 -1.935 -0.850) 2.346 3.431 ( 0.351 -0.935 2.253) 2.464 3.460 ( -1.684 -1.248 -0.081) 2.097 3.494 ( 0.034 -1.871 0.461) 1.927 3.638 ( -1.706 -0.469 -0.070) 1.771 3.660 ( 0.093 1.389 -0.242) 1.413 3.698 ( -0.136 -2.377 0.312) 2.402 3.770 ( -1.264 -0.311 -0.243) 1.324 3.866 ( -0.819 3.606 -0.177) 3.702 3.880 ( 0.072 2.578 0.197) 2.587 3.891 ( 0.037 0.975 -0.274) 1.014 3.923 ( -0.998 0.526 0.700) 1.328 3.945 ( 1.247 0.377 -0.794) 1.525 4.024 ( -1.247 2.129 0.011) 2.467 4.260 ( -0.435 1.128 -0.789) 1.444 4.279 ( 0.396 1.125 0.904) 1.496 4.323 ( -0.440 1.730 -0.237) 1.801 4.393 ( -0.093 2.477 0.145) 2.483 4.469 ( -0.679 4.437 -0.593) 4.528 4.483 ( 0.446 3.750 0.392) 3.797 5.292 ( -0.037 0.639 0.003) 0.640 ======================= Grid point 4 (5/117) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 0.457 -1.973 0.133) 2.029 1.135 ( -0.284 -3.811 0.833) 3.911 1.143 ( 0.231 0.007 -0.167) 0.285 1.199 ( 1.896 -3.268 -0.918) 3.888 1.212 ( -0.829 -2.320 3.262) 4.088 1.226 ( -0.449 -3.942 -1.885) 4.393 1.270 ( 1.307 -2.411 -0.378) 2.769 1.366 ( -0.631 -5.508 -0.512) 5.567 1.389 ( -0.384 0.839 -1.744) 1.973 1.440 ( -0.753 1.459 0.656) 1.768 1.455 ( 0.108 1.465 3.124) 3.452 1.486 ( 1.113 -2.400 0.161) 2.651 1.529 ( 0.476 -3.424 0.704) 3.528 1.548 ( 1.787 -3.325 -3.241) 4.975 1.583 ( -4.851 -2.281 -0.972) 5.448 1.686 ( -1.051 -0.046 1.066) 1.498 1.715 ( 1.391 -2.788 -0.532) 3.161 1.733 ( -3.435 0.538 1.272) 3.703 1.762 ( -0.235 -5.219 -0.522) 5.250 1.803 ( 3.590 -2.648 2.663) 5.195 1.815 ( -3.032 -4.009 -0.341) 5.038 1.849 ( -2.405 -1.307 -0.424) 2.770 1.871 ( -3.147 -1.877 0.690) 3.728 1.908 ( 0.832 -2.174 -2.382) 3.331 1.957 ( -0.263 -1.355 -0.576) 1.495 1.968 ( -0.789 0.212 0.795) 1.140 1.986 ( 1.355 0.044 -0.129) 1.362 2.009 ( 0.646 0.413 0.182) 0.788 2.039 ( 2.997 2.378 2.541) 4.593 2.067 ( -0.029 -1.473 -3.309) 3.623 2.096 ( -0.354 -1.007 -0.176) 1.082 2.120 ( 1.076 -0.295 0.279) 1.150 2.140 ( 0.474 1.159 -0.225) 1.273 2.200 ( 0.187 1.356 0.174) 1.380 2.215 ( 0.952 1.490 -1.737) 2.479 2.241 ( -0.507 0.263 1.752) 1.843 2.293 ( -0.443 3.448 -2.136) 4.080 2.314 ( -2.186 -1.673 3.356) 4.340 2.373 ( 0.102 1.986 1.651) 2.584 2.378 ( -0.462 2.525 0.947) 2.736 2.414 ( 2.516 1.426 -3.615) 4.629 2.454 ( 0.024 7.523 0.171) 7.525 2.505 ( 0.057 -4.174 0.150) 4.177 2.521 ( 0.850 -3.192 0.411) 3.328 2.584 ( -2.741 2.112 -0.305) 3.474 2.590 ( -2.504 -2.107 0.759) 3.359 2.645 ( -4.252 0.297 1.017) 4.382 2.680 ( 0.172 1.797 -2.601) 3.166 2.707 ( -0.505 0.473 -1.385) 1.549 2.730 ( -0.864 -0.584 1.256) 1.633 2.771 ( -0.024 -0.946 0.727) 1.194 2.801 ( -0.341 -3.055 -2.506) 3.966 2.845 ( 2.099 -1.173 1.310) 2.738 2.895 ( 1.097 -2.695 1.309) 3.190 2.898 ( 0.813 -4.688 -0.144) 4.760 2.951 ( -1.485 -3.453 2.824) 4.702 2.981 ( 2.065 -3.160 -2.082) 4.311 3.098 ( -1.634 -4.876 -0.469) 5.163 3.117 ( -0.515 0.501 0.590) 0.930 3.222 ( 0.820 -0.769 0.032) 1.125 3.230 ( 0.660 -6.456 1.991) 6.788 3.279 ( 0.104 -4.125 -1.043) 4.256 3.297 ( 0.073 -1.092 -0.582) 1.240 3.330 ( -1.701 -1.641 -0.163) 2.369 3.372 ( -1.123 -3.313 -2.980) 4.595 3.402 ( -1.254 -5.795 0.206) 5.932 3.418 ( 0.630 0.236 1.560) 1.699 3.485 ( -0.405 -3.879 -0.205) 3.905 3.502 ( 0.229 -2.019 -0.050) 2.033 3.540 ( 0.961 -2.956 0.741) 3.195 3.642 ( -0.146 -0.125 -0.069) 0.204 3.665 ( -0.756 -2.259 -0.012) 2.382 3.727 ( -1.067 2.659 0.325) 2.883 3.753 ( 0.634 2.662 -0.193) 2.744 3.811 ( -0.410 -0.234 -0.399) 0.618 3.849 ( 0.406 -0.409 0.371) 0.685 3.886 ( -0.008 -0.796 -0.485) 0.932 3.913 ( -0.894 -0.017 0.730) 1.155 3.942 ( 0.389 0.338 -0.637) 0.819 3.989 ( -0.382 0.730 0.287) 0.873 4.216 ( -0.507 2.634 -0.190) 2.689 4.254 ( 0.330 1.418 -0.096) 1.459 4.299 ( -0.133 2.199 -0.661) 2.300 4.317 ( 0.263 3.518 1.504) 3.835 4.374 ( -1.291 3.576 -1.348) 4.034 4.410 ( 0.689 3.205 0.580) 3.329 5.282 ( -0.019 0.318 -0.001) 0.318 ======================= Grid point 5 (6/117) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 0.000 -0.000 0.000) 0.000 1.131 ( 0.000 -0.000 -0.000) 0.000 1.192 ( 0.000 -0.000 -0.000) 0.000 1.234 ( -0.000 -0.000 0.000) 0.000 1.251 ( 0.000 -0.000 0.000) 0.000 1.261 ( 0.000 -0.000 -0.000) 0.000 1.319 ( -0.000 0.000 -0.000) 0.000 1.321 ( 0.000 -0.000 0.000) 0.000 1.409 ( 0.000 -0.000 -0.000) 0.000 1.432 ( 0.000 -0.000 0.000) 0.000 1.440 ( 0.000 -0.000 0.000) 0.000 1.518 ( 0.000 -0.000 0.000) 0.000 1.555 ( 0.000 -0.000 0.000) 0.000 1.591 ( 0.000 -0.000 -0.000) 0.000 1.605 ( -0.000 -0.000 0.000) 0.000 1.685 ( 0.000 -0.000 -0.000) 0.000 1.706 ( 0.000 -0.000 0.000) 0.000 1.750 ( -0.000 -0.000 0.000) 0.000 1.801 ( 0.000 -0.000 -0.000) 0.000 1.842 ( 0.000 -0.000 -0.000) 0.000 1.868 ( 0.000 -0.000 -0.000) 0.000 1.884 ( 0.000 0.000 -0.000) 0.000 1.901 ( -0.000 -0.000 -0.000) 0.000 1.923 ( 0.000 -0.000 0.000) 0.000 1.966 ( 0.000 -0.000 -0.000) 0.000 1.977 ( 0.000 -0.000 0.000) 0.000 1.983 ( -0.000 0.000 -0.000) 0.000 2.019 ( -0.000 -0.000 0.000) 0.000 2.032 ( 0.000 -0.000 0.000) 0.000 2.078 ( 0.000 -0.000 -0.000) 0.000 2.107 ( 0.000 -0.000 -0.000) 0.000 2.131 ( 0.000 -0.000 0.000) 0.000 2.135 ( -0.000 0.000 0.000) 0.000 2.177 ( 0.000 -0.000 -0.000) 0.000 2.214 ( -0.000 -0.000 0.000) 0.000 2.222 ( 0.000 0.000 0.000) 0.000 2.224 ( -0.000 -0.000 -0.000) 0.000 2.311 ( -0.000 -0.000 -0.000) 0.000 2.315 ( 0.000 0.000 0.000) 0.000 2.344 ( 0.000 -0.000 -0.000) 0.000 2.411 ( 0.000 -0.000 -0.000) 0.000 2.430 ( 0.000 -0.000 0.000) 0.000 2.463 ( -0.000 0.000 -0.000) 0.000 2.555 ( 0.000 -0.000 -0.000) 0.000 2.570 ( 0.000 -0.000 0.000) 0.000 2.602 ( 0.000 -0.000 -0.000) 0.000 2.641 ( -0.000 -0.000 0.000) 0.000 2.669 ( 0.000 -0.000 -0.000) 0.000 2.695 ( 0.000 -0.000 -0.000) 0.000 2.736 ( 0.000 -0.000 0.000) 0.000 2.777 ( 0.000 -0.000 0.000) 0.000 2.815 ( 0.000 -0.000 -0.000) 0.000 2.872 ( 0.000 -0.000 -0.000) 0.000 2.937 ( 0.000 -0.000 0.000) 0.000 2.965 ( 0.000 -0.000 0.000) 0.000 2.973 ( 0.000 -0.000 -0.000) 0.000 3.032 ( -0.000 -0.000 0.000) 0.000 3.111 ( 0.000 -0.000 -0.000) 0.000 3.152 ( -0.000 -0.000 0.000) 0.000 3.228 ( 0.000 -0.000 0.000) 0.000 3.298 ( -0.000 -0.000 0.000) 0.000 3.302 ( 0.000 -0.000 -0.000) 0.000 3.347 ( 0.000 -0.000 0.000) 0.000 3.365 ( 0.000 -0.000 -0.000) 0.000 3.373 ( 0.000 -0.000 -0.000) 0.000 3.439 ( 0.000 -0.000 -0.000) 0.000 3.461 ( 0.000 -0.000 0.000) 0.000 3.508 ( 0.000 -0.000 0.000) 0.000 3.563 ( 0.000 -0.000 0.000) 0.000 3.610 ( -0.000 -0.000 -0.000) 0.000 3.633 ( 0.000 0.000 0.000) 0.000 3.672 ( 0.000 -0.000 0.000) 0.000 3.678 ( -0.000 0.000 0.000) 0.000 3.702 ( 0.000 -0.000 -0.000) 0.000 3.825 ( 0.000 -0.000 -0.000) 0.000 3.855 ( 0.000 -0.000 -0.000) 0.000 3.911 ( 0.000 -0.000 -0.000) 0.000 3.914 ( 0.000 -0.000 0.000) 0.000 3.932 ( -0.000 -0.000 -0.000) 0.000 4.003 ( 0.000 -0.000 0.000) 0.000 4.180 ( -0.000 -0.000 -0.000) 0.000 4.226 ( -0.000 -0.000 -0.000) 0.000 4.241 ( 0.000 -0.000 0.000) 0.000 4.289 ( 0.000 -0.000 0.000) 0.000 4.347 ( 0.000 -0.000 0.000) 0.000 4.372 ( 0.000 -0.000 -0.000) 0.000 5.279 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/117) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.104 ( 14.786 -0.000 7.688) 16.666 0.126 ( 18.519 -0.000 7.648) 20.036 0.208 ( 31.389 -0.000 11.249) 33.343 0.795 ( -6.107 0.000 -2.361) 6.548 0.895 ( -2.581 0.000 0.653) 2.663 0.966 ( 0.750 -0.000 1.225) 1.436 1.013 ( -4.973 0.000 -3.526) 6.097 1.070 ( 0.598 -0.000 3.775) 3.822 1.082 ( 2.181 -0.000 -3.466) 4.095 1.117 ( 3.698 -0.000 -3.115) 4.835 1.142 ( -0.176 0.000 -1.440) 1.450 1.183 ( -0.187 0.000 -0.105) 0.215 1.228 ( -1.411 0.000 -0.492) 1.494 1.254 ( 2.476 -0.000 0.969) 2.659 1.278 ( 1.934 -0.000 -2.957) 3.534 1.363 ( 0.562 -0.000 3.243) 3.291 1.388 ( -0.554 0.000 0.747) 0.930 1.438 ( -5.665 0.000 -1.717) 5.919 1.479 ( 1.093 -0.000 -0.230) 1.116 1.494 ( -1.593 0.000 1.213) 2.002 1.511 ( 0.145 -0.000 0.131) 0.195 1.532 ( -3.060 0.000 1.404) 3.367 1.566 ( -0.045 0.000 0.837) 0.839 1.585 ( 5.466 -0.000 0.275) 5.473 1.737 ( -2.093 0.000 -6.315) 6.653 1.772 ( 2.796 -0.000 -1.130) 3.016 1.817 ( 1.793 -0.000 0.157) 1.800 1.844 ( 4.052 -0.000 -12.245) 12.898 1.908 ( 0.204 -0.000 -2.574) 2.582 1.935 ( -1.208 0.000 2.843) 3.089 1.958 ( -2.972 0.000 -0.634) 3.039 2.001 ( -2.482 0.000 5.069) 5.644 2.024 ( 2.379 -0.000 0.825) 2.518 2.070 ( -3.140 0.000 -0.281) 3.152 2.109 ( 1.477 -0.000 -0.081) 1.479 2.155 ( 1.284 -0.000 0.781) 1.503 2.160 ( 3.946 -0.000 -2.438) 4.639 2.260 ( -3.500 0.000 -0.947) 3.626 2.264 ( -0.105 0.000 3.279) 3.281 2.299 ( 0.769 -0.000 -1.971) 2.116 2.305 ( -6.569 0.000 2.936) 7.195 2.311 ( 0.141 -0.000 -3.107) 3.110 2.345 ( -0.895 0.000 6.360) 6.423 2.372 ( 0.650 -0.000 0.986) 1.181 2.376 ( -1.402 0.000 7.587) 7.715 2.440 ( -0.344 0.000 3.967) 3.982 2.507 ( 1.360 -0.000 0.885) 1.623 2.525 ( 4.556 -0.000 -0.197) 4.561 2.590 ( -0.310 0.000 0.663) 0.731 2.638 ( 0.071 -0.000 -0.457) 0.463 2.694 ( 0.457 -0.000 0.903) 1.012 2.755 ( -0.731 0.000 -0.480) 0.874 2.792 ( 0.272 -0.000 1.827) 1.847 2.878 ( -0.789 0.000 -0.457) 0.912 2.934 ( -0.231 0.000 0.475) 0.528 2.934 ( -0.947 0.000 -2.178) 2.375 3.039 ( -0.096 0.000 -12.693) 12.693 3.047 ( -3.574 0.000 -3.604) 5.076 3.103 ( 5.705 -0.000 -5.786) 8.126 3.116 ( 0.544 -0.000 6.020) 6.044 3.153 ( -0.105 0.000 -2.405) 2.407 3.164 ( -0.029 0.000 1.834) 1.835 3.211 ( -2.712 0.000 10.275) 10.627 3.278 ( 0.410 -0.000 -3.335) 3.360 3.280 ( -0.430 0.000 -3.616) 3.642 3.389 ( -0.727 0.000 -1.526) 1.690 3.411 ( -1.680 0.000 0.340) 1.714 3.463 ( -2.729 0.000 -1.111) 2.947 3.492 ( 1.386 -0.000 -2.452) 2.816 3.560 ( -2.451 0.000 6.119) 6.592 3.649 ( -1.056 0.000 1.260) 1.644 3.675 ( -0.892 0.000 2.374) 2.536 3.834 ( -0.102 0.000 -0.019) 0.104 3.835 ( -1.223 0.000 -0.801) 1.462 3.845 ( 0.169 -0.000 0.047) 0.175 3.901 ( 3.104 -0.000 -9.256) 9.763 3.935 ( -0.844 0.000 -0.027) 0.844 3.975 ( -0.925 0.000 -0.112) 0.932 4.160 ( -1.723 0.000 -1.212) 2.107 4.187 ( 5.440 -0.000 -23.681) 24.297 4.349 ( 0.019 -0.000 0.111) 0.113 4.354 ( -0.008 0.000 0.159) 0.159 4.360 ( -0.100 0.000 -0.109) 0.148 4.489 ( -3.686 0.000 2.832) 4.649 4.529 ( 0.112 -0.000 0.078) 0.136 4.554 ( -0.062 0.000 -0.083) 0.104 5.334 ( -0.156 0.000 -0.004) 0.156 ======================= Grid point 13 (8/117) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( 5.140 -17.084 2.740) 18.050 0.450 ( 6.791 -17.906 3.185) 19.413 0.809 ( 9.420 -31.382 3.752) 32.980 0.835 ( -7.006 -6.114 -3.046) 9.785 0.901 ( -2.478 -2.934 -2.734) 4.715 1.031 ( -2.450 4.200 -0.306) 4.872 1.063 ( -2.322 -3.449 2.614) 4.912 1.106 ( -0.288 -0.980 -1.984) 2.232 1.155 ( -2.550 -6.786 -0.311) 7.256 1.166 ( 2.655 -0.664 -3.492) 4.436 1.181 ( 2.336 -1.430 2.333) 3.597 1.223 ( 1.365 -4.290 -2.641) 5.219 1.287 ( 3.332 -4.003 3.160) 6.092 1.305 ( -2.008 -7.786 -0.859) 8.087 1.357 ( 0.319 -6.156 -1.510) 6.347 1.419 ( -0.787 -3.044 -0.075) 3.145 1.447 ( -1.574 -6.098 3.859) 7.386 1.486 ( 0.075 -3.684 -1.067) 3.836 1.508 ( -1.599 -2.747 2.118) 3.820 1.524 ( -2.862 -7.232 0.828) 7.822 1.551 ( 1.655 -3.712 0.939) 4.171 1.575 ( -0.479 -2.859 0.277) 2.912 1.646 ( 6.834 -4.551 -0.794) 8.248 1.683 ( 0.174 -9.264 0.545) 9.281 1.790 ( -4.287 -1.531 -2.626) 5.256 1.820 ( 1.771 -0.825 -2.157) 2.910 1.861 ( -2.111 -5.391 -0.611) 5.822 1.936 ( -0.938 -1.639 -1.240) 2.258 1.940 ( -1.558 -4.808 -0.383) 5.068 1.971 ( -0.543 -2.101 1.012) 2.394 2.007 ( -2.876 0.184 1.176) 3.113 2.031 ( -5.467 -4.177 -0.895) 6.938 2.069 ( -1.386 -1.041 -0.216) 1.746 2.103 ( -0.383 -3.554 1.625) 3.927 2.153 ( 2.204 -1.150 -2.128) 3.272 2.178 ( -0.794 -3.998 -2.249) 4.656 2.217 ( -0.160 -1.096 2.656) 2.878 2.254 ( -0.233 -2.028 -0.145) 2.046 2.282 ( -3.318 -0.818 4.493) 5.645 2.297 ( -3.443 -1.945 0.858) 4.046 2.318 ( 0.130 0.416 -1.338) 1.407 2.348 ( 0.970 -3.295 -3.297) 4.761 2.357 ( 1.357 -2.068 -1.275) 2.783 2.393 ( 0.930 -5.119 -1.403) 5.388 2.436 ( 0.781 3.389 2.536) 4.304 2.449 ( -0.799 -2.389 3.357) 4.197 2.471 ( 0.715 -3.462 2.225) 4.176 2.531 ( 5.807 0.354 -1.052) 5.912 2.588 ( -1.447 1.384 2.747) 3.399 2.649 ( -0.941 -0.987 -3.670) 3.916 2.682 ( 3.195 -0.593 0.778) 3.341 2.728 ( 1.385 2.580 1.104) 3.129 2.806 ( -1.687 -2.419 1.926) 3.522 2.901 ( 0.038 1.064 -1.570) 1.897 2.913 ( -0.324 0.978 -2.268) 2.491 2.950 ( -2.725 0.822 -0.960) 3.004 2.962 ( -1.762 0.074 -1.829) 2.541 2.997 ( -1.692 3.749 0.843) 4.198 3.042 ( -1.786 -0.885 -2.173) 2.949 3.091 ( 2.558 1.382 2.447) 3.800 3.181 ( 0.531 1.524 2.728) 3.169 3.213 ( -1.804 0.998 0.406) 2.102 3.228 ( -1.005 -2.941 1.269) 3.358 3.276 ( -0.948 -0.099 -0.561) 1.106 3.309 ( -1.089 0.038 -2.319) 2.562 3.381 ( -2.943 1.630 -1.622) 3.735 3.391 ( -3.206 -0.012 1.385) 3.492 3.419 ( -0.368 0.181 -1.436) 1.493 3.479 ( -0.096 1.243 0.085) 1.250 3.508 ( 1.517 2.518 0.790) 3.044 3.649 ( -1.063 -0.026 0.153) 1.074 3.665 ( 0.280 0.505 0.613) 0.842 3.779 ( -2.060 3.657 -1.051) 4.327 3.819 ( -1.197 1.740 0.445) 2.158 3.893 ( -0.118 -1.945 1.256) 2.318 3.917 ( -1.704 -0.447 -1.342) 2.215 3.941 ( -0.232 -0.160 -0.693) 0.748 3.955 ( -1.337 1.425 -0.684) 2.070 4.010 ( 3.396 2.607 0.849) 4.364 4.127 ( -2.425 2.268 -0.159) 3.324 4.321 ( 0.051 2.428 0.101) 2.430 4.362 ( -0.036 0.080 -0.049) 0.101 4.390 ( -2.637 3.719 -0.793) 4.628 4.405 ( -0.317 -0.997 0.020) 1.046 4.556 ( -0.099 0.137 -0.073) 0.184 4.584 ( -1.096 0.552 -0.650) 1.389 5.325 ( -0.162 0.725 0.001) 0.743 ======================= Grid point 14 (9/117) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 2.806 -15.221 2.104) 15.619 0.819 ( 2.649 -15.448 1.889) 15.787 0.923 ( -2.230 -0.141 -1.677) 2.794 0.991 ( -2.085 -8.280 0.337) 8.545 1.018 ( -5.391 -5.923 -2.367) 8.352 1.087 ( 1.772 -4.113 0.395) 4.496 1.122 ( -1.718 -1.084 1.081) 2.301 1.165 ( -1.309 -2.371 -1.632) 3.162 1.237 ( 1.840 -3.287 1.720) 4.141 1.265 ( 2.300 -4.285 0.025) 4.863 1.320 ( 1.372 -2.859 -2.515) 4.047 1.377 ( -0.613 -5.349 2.516) 5.943 1.418 ( 5.558 -4.444 0.584) 7.140 1.457 ( -1.175 -5.515 -3.364) 6.567 1.484 ( 1.070 -14.528 0.770) 14.588 1.520 ( 0.246 -3.386 0.376) 3.416 1.539 ( 1.407 -9.282 2.053) 9.610 1.582 ( -2.466 -4.213 1.066) 4.996 1.612 ( -0.589 -8.809 -0.531) 8.844 1.637 ( -0.382 -5.394 1.549) 5.625 1.691 ( -1.921 -5.601 -0.372) 5.933 1.742 ( 0.802 -10.150 0.395) 10.190 1.781 ( -1.050 -0.543 -0.542) 1.300 1.804 ( 1.269 -5.231 0.488) 5.405 1.827 ( 0.387 -3.992 -0.639) 4.061 1.880 ( 1.666 -5.905 -0.320) 6.144 1.900 ( 1.827 -1.841 0.650) 2.674 1.972 ( -1.749 -0.219 1.007) 2.030 1.984 ( -0.511 -1.202 -2.072) 2.449 2.016 ( -0.708 -3.555 0.065) 3.626 2.055 ( -2.079 -1.068 0.274) 2.353 2.064 ( -1.319 -2.371 1.082) 2.921 2.096 ( -2.510 -1.972 -0.383) 3.215 2.187 ( -3.711 -1.278 0.018) 3.925 2.201 ( 1.298 -2.167 0.161) 2.531 2.252 ( -1.418 -1.370 -0.651) 2.076 2.263 ( 0.124 -1.932 -0.007) 1.936 2.278 ( 1.040 0.585 2.004) 2.333 2.305 ( -2.239 -4.458 -1.593) 5.237 2.315 ( -0.128 -5.806 0.598) 5.838 2.349 ( -0.742 -3.250 0.383) 3.356 2.397 ( -2.353 -0.501 -1.649) 2.917 2.444 ( -1.225 -4.188 -1.728) 4.693 2.457 ( 0.158 -6.115 -0.313) 6.125 2.473 ( -0.239 -2.120 -0.129) 2.137 2.479 ( -1.960 -2.712 -0.241) 3.355 2.557 ( -0.462 -4.385 -0.166) 4.412 2.583 ( 1.840 -0.850 4.689) 5.108 2.619 ( 2.314 -7.205 1.751) 7.768 2.663 ( 3.161 2.513 0.113) 4.040 2.675 ( -0.392 -2.181 -0.799) 2.356 2.727 ( -0.547 -2.262 -0.333) 2.351 2.849 ( -1.417 3.632 1.012) 4.028 2.862 ( -2.422 0.257 -0.902) 2.597 2.877 ( -2.920 3.213 -1.354) 4.548 2.909 ( 0.388 -0.547 -3.177) 3.247 2.927 ( 0.101 -2.025 -0.476) 2.082 2.955 ( -1.162 2.376 1.247) 2.924 3.036 ( 2.630 1.342 -0.104) 2.954 3.121 ( 0.290 -3.194 3.011) 4.399 3.154 ( 0.016 0.454 0.187) 0.492 3.188 ( -2.213 0.573 1.025) 2.506 3.247 ( -1.280 0.533 1.892) 2.346 3.292 ( 0.023 -1.024 -1.134) 1.528 3.311 ( 0.122 -0.868 -1.567) 1.795 3.338 ( -1.115 1.502 0.420) 1.917 3.375 ( -2.892 0.600 -5.127) 5.917 3.415 ( -1.784 -0.101 -0.376) 1.826 3.448 ( -1.142 0.544 3.524) 3.744 3.483 ( 0.566 0.548 -0.278) 0.835 3.632 ( -1.786 0.650 -0.392) 1.940 3.668 ( -0.082 -0.454 0.461) 0.653 3.703 ( -0.461 2.708 -0.140) 2.751 3.778 ( -1.721 1.517 -0.148) 2.299 3.899 ( -0.695 0.591 0.453) 1.019 3.916 ( -1.036 1.686 -0.020) 1.979 3.924 ( -1.441 0.038 0.794) 1.646 3.935 ( -0.367 1.119 -0.935) 1.504 3.971 ( 2.406 1.953 -0.778) 3.195 4.068 ( -2.664 2.605 -0.055) 3.726 4.280 ( 0.129 1.331 -0.127) 1.343 4.309 ( -1.352 2.420 -0.082) 2.773 4.354 ( -0.304 1.020 -0.111) 1.070 4.418 ( -0.014 0.155 0.066) 0.169 4.536 ( -0.027 2.021 -0.068) 2.023 4.549 ( -0.477 2.551 -0.201) 2.603 5.307 ( -0.094 0.851 0.006) 0.857 ======================= Grid point 15 (10/117) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -0.096 -1.774 0.417) 1.825 1.037 ( 1.248 -8.338 2.467) 8.784 1.042 ( 1.157 -7.417 0.607) 7.531 1.132 ( -2.470 -5.469 0.382) 6.013 1.149 ( -1.039 -2.853 -2.250) 3.779 1.174 ( -0.575 -3.039 -0.189) 3.099 1.190 ( 1.519 -7.404 2.061) 7.834 1.232 ( 1.521 -4.637 -0.652) 4.923 1.339 ( 0.063 -2.406 -3.654) 4.375 1.350 ( 1.117 -7.575 0.002) 7.657 1.399 ( 0.229 -6.735 2.424) 7.162 1.454 ( -0.811 -2.612 3.229) 4.231 1.487 ( 1.196 -2.688 -2.200) 3.674 1.493 ( -0.131 -0.950 -0.837) 1.272 1.600 ( -0.117 2.832 -3.712) 4.670 1.612 ( -2.629 -4.891 1.672) 5.799 1.632 ( -1.896 -4.516 0.025) 4.897 1.654 ( 1.121 -2.157 0.004) 2.431 1.706 ( -2.467 -3.319 1.777) 4.501 1.762 ( -3.792 -2.732 0.431) 4.693 1.782 ( -1.337 -1.083 1.087) 2.035 1.805 ( 0.441 -3.464 -0.151) 3.495 1.826 ( -0.777 -2.032 -0.881) 2.347 1.879 ( -0.404 0.203 -0.662) 0.802 1.934 ( 0.733 -1.763 -1.255) 2.285 1.957 ( 0.646 -1.416 0.216) 1.571 1.974 ( 0.051 -1.873 -1.408) 2.344 1.995 ( -2.155 -0.341 0.743) 2.304 2.046 ( -0.441 -3.733 0.961) 3.880 2.070 ( -0.012 -3.752 0.642) 3.807 2.101 ( 1.636 -0.262 0.996) 1.933 2.127 ( 3.438 -5.321 0.623) 6.366 2.145 ( 2.512 -0.693 0.501) 2.653 2.154 ( 2.755 0.392 -1.111) 2.996 2.214 ( -0.100 -2.454 1.861) 3.081 2.241 ( -0.914 0.600 0.959) 1.454 2.296 ( -1.696 1.513 1.181) 2.562 2.326 ( 0.162 -2.884 -1.484) 3.247 2.369 ( 2.101 -1.534 -3.387) 4.271 2.372 ( -4.269 -1.704 -1.219) 4.755 2.417 ( 1.920 -2.191 0.024) 2.913 2.432 ( -0.790 -3.901 1.721) 4.336 2.464 ( -2.972 -0.107 3.238) 4.397 2.528 ( -4.259 -5.102 -1.543) 6.823 2.551 ( -0.155 0.986 1.343) 1.673 2.580 ( -0.320 -0.225 -2.769) 2.796 2.609 ( -1.485 -2.910 -0.310) 3.282 2.649 ( 0.104 -5.706 2.056) 6.066 2.689 ( -1.876 -1.392 -0.269) 2.351 2.701 ( -0.587 -3.715 -0.933) 3.875 2.739 ( -1.981 -1.175 0.745) 2.420 2.770 ( -0.836 0.278 0.286) 0.926 2.794 ( -1.135 -4.069 -2.275) 4.798 2.825 ( -1.187 1.559 -1.365) 2.388 2.871 ( 1.114 -3.857 1.955) 4.465 2.898 ( -0.446 1.100 -1.581) 1.976 2.913 ( 0.566 -1.237 -0.290) 1.391 3.018 ( 1.427 -3.016 0.817) 3.435 3.078 ( 2.447 -5.211 1.788) 6.028 3.158 ( -0.201 0.695 2.131) 2.251 3.175 ( -0.890 -3.002 -1.264) 3.376 3.196 ( -1.018 -2.514 1.268) 2.994 3.278 ( -0.007 -3.787 1.419) 4.044 3.295 ( 0.542 1.391 -0.782) 1.685 3.304 ( -0.857 -1.372 0.951) 1.876 3.329 ( -0.261 -0.317 -5.907) 5.921 3.391 ( -0.851 -3.293 -0.501) 3.437 3.434 ( -0.879 -2.410 1.077) 2.783 3.452 ( -0.873 -0.433 1.165) 1.519 3.494 ( -0.373 -1.951 0.250) 2.002 3.627 ( -1.751 -0.711 -0.133) 1.894 3.659 ( -0.202 1.416 -0.256) 1.453 3.697 ( -0.192 -2.286 0.373) 2.324 3.761 ( -1.609 -0.439 -0.296) 1.694 3.862 ( -0.556 3.655 -0.266) 3.707 3.880 ( -0.107 2.000 0.277) 2.022 3.890 ( -0.213 0.911 -0.319) 0.988 3.919 ( -0.867 0.558 0.639) 1.213 3.951 ( 1.353 0.760 -0.834) 1.761 4.016 ( -1.633 1.726 0.091) 2.378 4.256 ( -0.349 1.382 -0.672) 1.576 4.282 ( 0.135 0.547 0.759) 0.946 4.320 ( -0.361 1.918 -0.231) 1.965 4.392 ( -0.128 2.442 0.180) 2.452 4.464 ( -0.595 4.673 -0.534) 4.741 4.486 ( 0.300 3.539 0.276) 3.563 5.292 ( -0.047 0.630 0.004) 0.632 ======================= Grid point 16 (11/117) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 0.399 -1.899 0.135) 1.945 1.136 ( 0.129 -2.924 1.311) 3.207 1.143 ( 0.191 -0.650 -0.514) 0.850 1.209 ( 1.061 -3.139 -0.091) 3.314 1.211 ( -0.741 -3.171 -0.220) 3.264 1.220 ( -0.371 -3.448 0.556) 3.513 1.274 ( 0.343 -2.221 -1.275) 2.584 1.369 ( 1.488 -5.237 1.482) 5.643 1.387 ( 0.762 0.384 -1.279) 1.537 1.435 ( -1.035 2.650 -0.333) 2.865 1.462 ( 0.111 1.117 2.835) 3.049 1.494 ( 0.907 -2.649 0.749) 2.898 1.531 ( -0.165 -2.193 -0.082) 2.200 1.547 ( -2.317 -3.238 -1.896) 4.409 1.559 ( 0.008 -3.930 -2.221) 4.515 1.677 ( -2.306 -0.677 1.032) 2.616 1.710 ( -4.039 -0.232 1.951) 4.492 1.723 ( 0.776 -1.975 -1.228) 2.452 1.759 ( -0.164 -5.962 -0.821) 6.020 1.803 ( -0.770 -3.032 -0.336) 3.146 1.825 ( 1.238 -3.579 1.329) 4.014 1.836 ( -2.196 -2.878 0.113) 3.622 1.861 ( -0.314 -0.854 2.388) 2.556 1.906 ( 0.598 -2.140 -2.656) 3.463 1.954 ( -0.323 -1.445 -0.266) 1.505 1.965 ( -0.405 0.191 0.531) 0.695 1.987 ( -0.711 -0.364 -0.693) 1.057 2.016 ( 1.222 0.027 1.116) 1.656 2.050 ( -0.189 -0.097 -0.071) 0.224 2.067 ( 1.776 1.570 -0.765) 2.491 2.095 ( 0.138 -0.295 -0.556) 0.645 2.122 ( -0.927 2.661 0.408) 2.847 2.154 ( 4.123 -0.300 -0.518) 4.167 2.195 ( -0.236 0.212 -1.782) 1.810 2.223 ( 1.743 1.249 -0.153) 2.150 2.239 ( -1.586 0.490 1.803) 2.450 2.285 ( -1.108 4.549 -1.532) 4.926 2.306 ( -2.690 -1.118 2.899) 4.110 2.368 ( -1.300 3.767 0.422) 4.008 2.388 ( 1.443 -0.652 2.007) 2.557 2.423 ( 2.812 1.272 -3.531) 4.690 2.454 ( -0.299 5.213 0.261) 5.228 2.507 ( 0.338 -3.088 0.034) 3.107 2.527 ( 0.839 -2.898 -0.090) 3.018 2.568 ( -2.557 3.845 0.573) 4.653 2.578 ( -1.782 -2.171 0.134) 2.812 2.621 ( -4.574 -1.369 1.619) 5.042 2.673 ( -0.294 1.081 -3.210) 3.400 2.699 ( -0.824 -0.044 -1.700) 1.890 2.733 ( -0.242 -0.526 3.530) 3.578 2.770 ( -0.767 -0.462 0.170) 0.911 2.794 ( 0.234 -2.581 -3.056) 4.007 2.855 ( 0.776 -2.464 0.194) 2.591 2.904 ( 1.174 -4.330 -0.225) 4.492 2.908 ( 1.614 -2.839 2.174) 3.923 2.950 ( -0.772 -4.086 2.250) 4.728 2.987 ( 1.337 -2.535 -1.618) 3.291 3.087 ( -1.746 -4.647 -0.452) 4.984 3.115 ( -0.571 0.731 0.499) 1.053 3.227 ( 0.659 -1.314 0.480) 1.547 3.240 ( 1.161 -5.591 2.153) 6.103 3.277 ( 0.060 -4.181 -1.094) 4.322 3.296 ( 0.311 -1.323 -1.256) 1.850 3.319 ( -2.050 -2.217 0.165) 3.024 3.359 ( -1.184 -4.393 -2.650) 5.265 3.396 ( -0.959 -4.663 -0.070) 4.761 3.423 ( 0.261 0.757 1.358) 1.577 3.482 ( -0.346 -3.534 -0.197) 3.557 3.503 ( 0.130 -1.714 -0.010) 1.719 3.548 ( 1.009 -3.980 0.647) 4.157 3.642 ( -0.024 -0.191 -0.073) 0.205 3.659 ( -1.027 -2.397 -0.014) 2.608 3.723 ( -0.625 2.457 0.254) 2.548 3.755 ( 0.118 2.209 -0.132) 2.216 3.809 ( -0.089 -0.585 -0.342) 0.684 3.852 ( 0.258 -0.070 0.345) 0.436 3.885 ( 0.047 -0.776 -0.572) 0.965 3.909 ( -0.954 -0.057 0.726) 1.200 3.943 ( 0.365 0.424 -0.599) 0.820 3.988 ( -0.349 0.440 0.325) 0.649 4.213 ( -0.453 2.410 -0.131) 2.456 4.255 ( 0.160 2.143 -0.305) 2.170 4.298 ( 0.065 1.525 -0.184) 1.538 4.321 ( 0.302 3.465 1.398) 3.749 4.363 ( -1.182 3.704 -1.368) 4.122 4.414 ( 0.450 3.219 0.376) 3.272 5.282 ( -0.019 0.312 -0.001) 0.312 ======================= Grid point 17 (12/117) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -0.065 0.162 0.005) 0.174 1.130 ( -0.244 0.141 -0.109) 0.302 1.195 ( 0.744 -0.770 0.509) 1.186 1.234 ( -0.234 0.977 0.346) 1.062 1.246 ( -0.546 1.458 -2.599) 3.030 1.265 ( 0.055 -1.517 2.614) 3.023 1.299 ( -1.908 1.746 -3.023) 3.978 1.343 ( 2.478 -2.664 2.678) 4.518 1.405 ( -0.658 0.816 -0.715) 1.269 1.439 ( 1.191 0.232 0.596) 1.352 1.442 ( 0.719 -0.141 0.385) 0.828 1.516 ( -0.862 0.335 -0.043) 0.926 1.553 ( -0.364 0.229 -0.688) 0.811 1.591 ( -0.423 -0.423 0.987) 1.154 1.605 ( 0.205 -0.383 -0.492) 0.656 1.684 ( -0.063 -1.178 -0.762) 1.405 1.704 ( -0.749 -0.770 0.363) 1.134 1.746 ( -0.546 0.059 -0.876) 1.033 1.809 ( 1.641 -0.421 0.671) 1.822 1.837 ( -0.448 0.080 -1.891) 1.945 1.863 ( -2.153 1.459 1.440) 2.973 1.890 ( 1.767 -0.798 0.626) 2.038 1.910 ( 1.662 -1.018 0.305) 1.973 1.923 ( -0.017 -0.432 0.066) 0.437 1.964 ( -0.200 -0.574 0.217) 0.646 1.981 ( 0.478 3.549 -0.065) 3.581 1.985 ( 0.458 -0.723 1.158) 1.440 2.015 ( -1.045 0.739 -1.161) 1.728 2.034 ( 0.557 -0.396 0.164) 0.703 2.071 ( -1.566 -0.264 -0.961) 1.856 2.107 ( 0.087 -0.145 -0.314) 0.357 2.130 ( -0.333 -0.554 0.987) 1.180 2.138 ( 0.503 -0.693 0.076) 0.859 2.182 ( 1.052 -0.705 -0.394) 1.326 2.188 ( -4.589 -0.730 -1.321) 4.830 2.217 ( 0.058 2.514 -0.347) 2.538 2.253 ( 4.164 -1.751 1.550) 4.776 2.303 ( -1.322 -2.235 -0.560) 2.656 2.326 ( 2.071 2.916 1.303) 3.807 2.345 ( 0.395 -0.087 -0.024) 0.405 2.405 ( -2.761 2.809 -0.606) 3.985 2.419 ( -1.274 1.727 -0.545) 2.214 2.476 ( 2.510 -3.812 0.922) 4.657 2.551 ( -0.082 -1.282 -2.538) 2.845 2.574 ( 0.223 0.389 2.193) 2.239 2.600 ( -0.660 -0.375 0.248) 0.799 2.643 ( 0.555 -1.581 0.027) 1.676 2.668 ( -0.046 -0.058 -0.437) 0.444 2.691 ( -0.540 0.283 -1.129) 1.283 2.741 ( 0.368 0.077 2.806) 2.831 2.776 ( -0.065 -0.069 -0.031) 0.100 2.809 ( -0.766 -0.600 -2.563) 2.742 2.875 ( 0.590 0.952 0.798) 1.375 2.938 ( 0.109 0.343 0.378) 0.522 2.963 ( -0.532 0.646 0.048) 0.838 2.977 ( 1.036 0.283 -0.281) 1.111 3.029 ( -0.898 0.125 0.045) 0.908 3.112 ( 0.411 -0.298 -0.190) 0.542 3.152 ( -0.251 -1.019 0.155) 1.061 3.228 ( 0.124 0.736 0.002) 0.747 3.298 ( 0.026 -0.009 -0.003) 0.027 3.302 ( -0.012 -0.157 0.010) 0.157 3.347 ( -0.037 -0.803 0.067) 0.806 3.366 ( 0.158 0.812 -0.239) 0.861 3.373 ( -0.107 0.597 0.148) 0.624 3.439 ( -0.007 -0.212 0.065) 0.222 3.461 ( -0.047 -1.191 -0.066) 1.193 3.509 ( 0.129 -0.431 0.071) 0.456 3.563 ( -0.042 -2.051 -0.012) 2.052 3.607 ( -0.687 2.226 -0.313) 2.351 3.637 ( 1.040 -0.631 0.356) 1.267 3.669 ( -0.853 2.417 -0.152) 2.567 3.680 ( 0.417 -1.439 0.051) 1.499 3.702 ( 0.003 -0.138 0.007) 0.138 3.825 ( 0.036 -0.013 -0.001) 0.038 3.854 ( -0.035 0.014 0.001) 0.038 3.911 ( 0.027 -0.297 0.073) 0.307 3.914 ( -0.010 -0.224 -0.088) 0.241 3.932 ( -0.010 0.170 0.015) 0.171 4.003 ( -0.012 0.124 -0.010) 0.125 4.182 ( 0.238 -0.123 0.302) 0.404 4.221 ( -0.806 -0.936 -1.158) 1.693 4.246 ( 0.812 0.961 1.241) 1.767 4.287 ( -0.340 0.072 -0.505) 0.613 4.348 ( 0.235 -0.930 0.254) 0.993 4.371 ( -0.131 0.606 -0.127) 0.632 5.279 ( 0.000 -0.005 0.000) 0.005 ======================= Grid point 18 (13/117) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -0.306 2.021 -0.081) 2.046 1.136 ( 0.360 4.380 -0.423) 4.415 1.141 ( -0.274 -0.509 -0.052) 0.580 1.192 ( -1.143 4.034 0.922) 4.293 1.210 ( 0.790 1.766 -2.459) 3.129 1.229 ( -0.504 3.451 1.064) 3.646 1.264 ( -0.665 2.731 0.166) 2.815 1.374 ( 1.123 5.979 1.059) 6.175 1.397 ( 0.709 -1.547 1.718) 2.418 1.440 ( -0.195 0.202 -0.744) 0.795 1.448 ( 0.136 -1.714 -2.798) 3.284 1.481 ( -0.593 1.368 0.246) 1.511 1.524 ( -0.611 4.202 -0.546) 4.281 1.546 ( -0.950 3.772 1.853) 4.309 1.614 ( 4.979 0.180 1.329) 5.156 1.679 ( -2.622 0.902 -1.229) 3.033 1.711 ( -0.239 2.954 0.222) 2.972 1.746 ( 1.916 -1.146 -0.582) 2.307 1.764 ( 0.261 4.541 0.215) 4.554 1.778 ( -2.906 1.965 -1.929) 4.003 1.835 ( 2.810 6.195 -0.082) 6.803 1.872 ( 5.054 -0.498 1.291) 5.240 1.887 ( 2.466 2.222 -0.792) 3.413 1.907 ( -0.961 2.023 2.020) 3.016 1.955 ( -2.552 1.927 -0.188) 3.204 1.966 ( -1.463 -2.656 -0.399) 3.058 1.979 ( 0.331 0.763 -0.071) 0.835 2.006 ( -0.444 -0.067 0.194) 0.489 2.015 ( -2.915 -1.853 -1.829) 3.909 2.074 ( 0.183 1.344 1.991) 2.409 2.101 ( 1.006 1.771 0.650) 2.138 2.115 ( -0.428 1.649 -0.698) 1.841 2.142 ( 0.737 -1.441 0.362) 1.658 2.190 ( -1.659 -2.708 -1.123) 3.368 2.221 ( 0.527 -1.596 2.324) 2.868 2.239 ( -0.009 -0.496 -1.679) 1.750 2.299 ( 0.195 -1.812 2.132) 2.805 2.316 ( 0.686 1.950 -2.817) 3.494 2.368 ( 0.681 -1.307 -2.024) 2.504 2.379 ( -0.721 -3.088 0.356) 3.191 2.411 ( -0.688 -3.237 2.342) 4.054 2.453 ( -0.265 -8.504 -0.249) 8.512 2.505 ( 0.029 4.658 -0.186) 4.662 2.517 ( -0.420 3.438 -0.244) 3.472 2.599 ( 1.696 1.071 0.811) 2.163 2.602 ( 1.992 0.215 -1.054) 2.264 2.664 ( 2.384 -2.775 -0.268) 3.668 2.681 ( -0.374 -0.801 0.730) 1.146 2.710 ( 0.308 -1.354 0.145) 1.396 2.740 ( 1.879 0.376 2.092) 2.837 2.767 ( -0.812 1.502 -0.940) 1.949 2.807 ( -0.078 3.621 1.204) 3.816 2.827 ( -2.046 0.178 -2.090) 2.931 2.891 ( -0.092 3.781 -0.229) 3.789 2.895 ( -0.494 3.518 0.252) 3.561 2.955 ( 1.775 2.703 -3.062) 4.454 2.973 ( -2.250 4.098 2.438) 5.273 3.107 ( 1.086 4.751 0.365) 4.887 3.118 ( 0.193 -0.131 -0.462) 0.518 3.218 ( -0.548 0.586 0.227) 0.834 3.224 ( -0.287 6.814 -1.287) 6.941 3.281 ( -0.030 3.984 0.600) 4.029 3.297 ( -0.011 1.003 0.228) 1.029 3.339 ( 0.962 1.362 0.171) 1.676 3.385 ( 1.013 2.025 3.030) 3.783 3.406 ( 0.489 2.668 -3.219) 4.209 3.411 ( -0.450 4.783 0.896) 4.887 3.488 ( 0.302 4.299 0.128) 4.312 3.501 ( -0.220 2.075 0.057) 2.088 3.534 ( -0.581 1.940 -0.523) 2.092 3.643 ( 0.119 0.073 0.041) 0.146 3.668 ( 0.374 2.071 0.007) 2.104 3.734 ( 1.345 -2.687 -0.355) 3.026 3.748 ( -1.107 -2.948 0.272) 3.161 3.814 ( 0.448 -0.387 0.294) 0.660 3.846 ( -0.367 0.872 -0.268) 0.984 3.887 ( 0.019 0.812 0.268) 0.856 3.916 ( 0.534 0.012 -0.471) 0.712 3.941 ( -0.250 -0.285 0.421) 0.567 3.991 ( 0.250 -0.971 -0.160) 1.015 4.219 ( 0.360 -2.846 0.161) 2.873 4.252 ( -0.303 -0.897 -0.059) 0.949 4.302 ( 0.277 -2.369 1.099) 2.626 4.312 ( -0.272 -3.815 -1.485) 4.103 4.384 ( 1.190 -3.505 1.145) 3.875 4.404 ( -0.855 -3.183 -0.734) 3.377 5.282 ( 0.012 -0.323 0.000) 0.323 ======================= Grid point 19 (14/117) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 0.078 1.013 -0.110) 1.022 1.019 ( -0.407 9.999 -0.582) 10.024 1.034 ( -0.126 6.865 -0.185) 6.869 1.145 ( 0.093 5.666 -0.209) 5.671 1.159 ( 0.166 2.793 0.325) 2.817 1.180 ( -0.024 -0.917 -0.027) 0.918 1.191 ( 2.065 5.480 -1.065) 5.953 1.211 ( -2.071 8.083 1.152) 8.423 1.341 ( -0.266 7.312 0.186) 7.319 1.367 ( 0.735 6.022 2.970) 6.755 1.384 ( -0.036 3.593 -2.243) 4.236 1.443 ( -0.334 3.448 -1.976) 3.988 1.468 ( -0.921 3.357 0.923) 3.602 1.513 ( 0.709 -0.202 0.260) 0.782 1.614 ( -0.610 5.323 3.496) 6.398 1.623 ( 1.395 -1.145 -3.586) 4.014 1.634 ( -0.713 4.342 0.632) 4.446 1.650 ( 0.056 2.770 -0.195) 2.777 1.735 ( 1.551 3.741 -0.053) 4.050 1.772 ( -0.252 3.619 -0.275) 3.638 1.798 ( 0.700 -2.470 -0.411) 2.600 1.809 ( 0.268 4.483 -0.065) 4.492 1.851 ( 1.737 3.370 0.381) 3.810 1.897 ( 1.318 1.469 1.319) 2.374 1.913 ( -2.111 1.825 -1.129) 3.010 1.957 ( 0.322 -1.013 1.395) 1.754 1.972 ( -0.545 2.671 -0.667) 2.806 2.009 ( 0.233 1.267 0.173) 1.300 2.037 ( -0.499 6.806 -0.968) 6.893 2.066 ( -0.254 1.056 0.395) 1.155 2.094 ( 2.252 -1.860 -3.560) 4.605 2.101 ( -2.067 1.578 4.132) 4.882 2.114 ( -1.443 4.736 -1.483) 5.168 2.138 ( -0.542 2.191 0.411) 2.295 2.212 ( 0.199 0.140 -0.653) 0.697 2.243 ( 0.045 -0.923 -0.197) 0.945 2.313 ( 1.709 0.479 -0.708) 1.911 2.328 ( -0.843 -1.033 0.636) 1.477 2.369 ( -0.750 3.864 5.618) 6.859 2.382 ( -0.645 0.854 -5.042) 5.155 2.411 ( 0.861 2.020 0.210) 2.206 2.438 ( 0.536 4.276 -0.258) 4.317 2.486 ( 0.928 -4.088 -0.246) 4.200 2.537 ( -0.332 1.108 -0.393) 1.221 2.581 ( 0.860 5.069 0.932) 5.225 2.600 ( 2.125 5.451 1.229) 5.979 2.617 ( -0.474 5.134 -0.412) 5.173 2.629 ( -0.979 -0.979 -1.341) 1.927 2.704 ( 0.784 2.510 0.436) 2.666 2.710 ( -0.245 1.380 -0.892) 1.661 2.762 ( 1.438 1.070 2.244) 2.872 2.794 ( 1.354 8.765 -0.411) 8.878 2.814 ( 0.104 -3.111 -1.221) 3.344 2.822 ( -0.685 1.295 0.514) 1.553 2.853 ( -0.341 -1.627 0.254) 1.682 2.905 ( -0.954 2.215 2.818) 3.709 2.907 ( 0.638 -0.938 -2.507) 2.752 3.002 ( -0.408 3.242 -0.326) 3.283 3.052 ( -0.663 6.123 -0.491) 6.179 3.152 ( 0.005 -0.289 -0.613) 0.678 3.187 ( 0.280 2.790 0.351) 2.826 3.204 ( 0.352 2.236 -0.126) 2.267 3.275 ( 0.175 3.693 -0.522) 3.734 3.292 ( -0.158 -1.087 -0.007) 1.099 3.305 ( -0.103 1.297 0.152) 1.310 3.352 ( 0.280 1.865 1.555) 2.445 3.405 ( 0.548 0.676 0.814) 1.192 3.424 ( -0.379 0.900 -1.457) 1.754 3.469 ( 0.890 0.942 0.210) 1.313 3.492 ( -0.226 2.103 -0.302) 2.136 3.646 ( 0.890 0.350 -0.005) 0.957 3.659 ( -0.265 -1.409 0.124) 1.440 3.698 ( 0.043 2.425 -0.122) 2.429 3.776 ( 0.473 0.209 0.094) 0.525 3.871 ( 0.549 -3.187 0.058) 3.234 3.879 ( -0.195 -3.507 -0.070) 3.513 3.891 ( -0.074 -0.810 0.108) 0.821 3.927 ( 0.574 -0.684 -0.406) 0.981 3.940 ( -0.649 -0.001 0.432) 0.780 4.030 ( 0.465 -2.352 0.007) 2.398 4.264 ( 0.307 -0.728 0.541) 0.958 4.275 ( -0.315 -1.676 -0.591) 1.805 4.325 ( 0.194 -1.665 0.098) 1.679 4.393 ( 0.033 -2.498 -0.055) 2.499 4.474 ( 0.619 -4.136 0.530) 4.216 4.479 ( -0.531 -4.036 -0.455) 4.096 5.292 ( 0.014 -0.644 -0.001) 0.644 ======================= Grid point 20 (15/117) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 0.000 15.973 0.000) 15.973 0.800 ( 0.000 16.821 0.000) 16.821 0.940 ( -0.000 -1.679 -0.000) 1.679 1.028 ( 0.000 5.978 0.000) 5.978 1.051 ( 0.000 6.941 0.000) 6.941 1.062 ( 0.000 3.368 0.000) 3.368 1.132 ( 0.000 1.019 0.000) 1.019 1.175 ( 0.000 1.765 0.000) 1.765 1.218 ( 0.000 4.401 0.000) 4.401 1.257 ( 0.000 3.235 0.000) 3.235 1.345 ( 0.000 5.519 0.000) 5.519 1.347 ( 0.000 5.471 0.000) 5.471 1.373 ( 0.000 6.347 0.000) 6.347 1.473 ( 0.000 18.433 0.000) 18.433 1.475 ( 0.000 6.295 0.000) 6.295 1.513 ( 0.000 1.536 0.000) 1.536 1.527 ( 0.000 6.604 0.000) 6.604 1.596 ( 0.000 4.891 0.000) 4.891 1.620 ( 0.000 8.562 0.000) 8.562 1.638 ( 0.000 4.397 0.000) 4.397 1.706 ( 0.000 8.673 0.000) 8.673 1.740 ( 0.000 6.241 0.000) 6.241 1.779 ( 0.000 5.583 0.000) 5.583 1.796 ( 0.000 6.281 0.000) 6.281 1.830 ( 0.000 0.854 0.000) 0.854 1.872 ( 0.000 7.189 0.000) 7.189 1.882 ( -0.000 -0.062 -0.000) 0.062 1.984 ( -0.000 -0.904 -0.000) 0.904 1.992 ( 0.000 1.061 0.000) 1.061 2.019 ( 0.000 3.510 0.000) 3.510 2.066 ( 0.000 1.718 0.000) 1.718 2.076 ( 0.000 0.397 0.000) 0.397 2.110 ( 0.000 0.577 0.000) 0.577 2.184 ( 0.000 0.951 0.000) 0.951 2.219 ( 0.000 1.298 0.000) 1.298 2.257 ( -0.000 -0.102 -0.000) 0.102 2.261 ( 0.000 0.284 0.000) 0.284 2.275 ( -0.000 -0.639 -0.000) 0.639 2.307 ( 0.000 5.351 0.000) 5.351 2.334 ( 0.000 6.589 0.000) 6.589 2.354 ( 0.000 2.445 0.000) 2.445 2.424 ( 0.000 5.481 0.000) 5.481 2.454 ( 0.000 5.137 0.000) 5.137 2.458 ( 0.000 4.691 0.000) 4.691 2.478 ( -0.000 -3.018 -0.000) 3.018 2.507 ( 0.000 8.362 0.000) 8.362 2.538 ( 0.000 1.701 0.000) 1.701 2.565 ( 0.000 6.488 0.000) 6.488 2.582 ( 0.000 7.391 0.000) 7.391 2.647 ( -0.000 -2.584 -0.000) 2.584 2.682 ( 0.000 1.274 0.000) 1.274 2.727 ( 0.000 2.264 0.000) 2.264 2.855 ( 0.000 1.472 0.000) 1.472 2.882 ( -0.000 -4.694 -0.000) 4.694 2.899 ( -0.000 -2.448 -0.000) 2.448 2.914 ( -0.000 -0.955 -0.000) 0.955 2.945 ( -0.000 -1.818 -0.000) 1.818 2.948 ( 0.000 0.238 0.000) 0.238 3.013 ( -0.000 -1.778 -0.000) 1.778 3.118 ( 0.000 2.964 0.000) 2.964 3.149 ( -0.000 -0.107 -0.000) 0.107 3.202 ( -0.000 -0.674 -0.000) 0.674 3.256 ( -0.000 -1.251 -0.000) 1.251 3.288 ( 0.000 1.445 0.000) 1.445 3.316 ( 0.000 1.373 0.000) 1.373 3.345 ( -0.000 -3.325 -0.000) 3.325 3.417 ( -0.000 -1.764 -0.000) 1.764 3.417 ( 0.000 0.145 0.000) 0.145 3.459 ( 0.000 0.257 0.000) 0.257 3.466 ( 0.000 0.258 0.000) 0.258 3.646 ( -0.000 -0.305 -0.000) 0.305 3.667 ( 0.000 0.593 0.000) 0.593 3.707 ( -0.000 -3.385 -0.000) 3.385 3.790 ( -0.000 -1.465 -0.000) 1.465 3.902 ( -0.000 -0.585 -0.000) 0.585 3.925 ( -0.000 -1.816 -0.000) 1.816 3.935 ( -0.000 -0.089 -0.000) 0.089 3.943 ( -0.000 -0.108 -0.000) 0.108 3.951 ( -0.000 -2.903 -0.000) 2.903 4.086 ( -0.000 -2.866 -0.000) 2.866 4.280 ( -0.000 -1.207 -0.000) 1.207 4.317 ( -0.000 -2.988 -0.000) 2.988 4.358 ( -0.000 -1.138 -0.000) 1.138 4.418 ( -0.000 -0.145 -0.000) 0.145 4.536 ( -0.000 -1.944 -0.000) 1.944 4.552 ( -0.000 -2.795 -0.000) 2.795 5.308 ( -0.000 -0.875 -0.000) 0.875 ======================= Grid point 23 (16/117) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.206 ( 14.542 -0.000 7.650) 16.431 0.250 ( 18.286 -0.000 7.451) 19.746 0.417 ( 31.475 -0.000 10.865) 33.298 0.742 ( -9.137 0.000 -4.081) 10.007 0.864 ( -8.211 0.000 -0.808) 8.250 0.970 ( -0.387 0.000 1.073) 1.141 0.985 ( -1.880 0.000 -2.198) 2.892 1.080 ( 0.193 -0.000 3.980) 3.985 1.091 ( 3.221 -0.000 -3.944) 5.092 1.128 ( 3.043 -0.000 -5.699) 6.461 1.137 ( 0.257 -0.000 -2.683) 2.695 1.184 ( 0.129 -0.000 0.813) 0.823 1.218 ( -2.078 0.000 0.506) 2.139 1.275 ( 3.616 -0.000 1.295) 3.841 1.283 ( 1.267 -0.000 -0.847) 1.524 1.368 ( -3.191 0.000 3.752) 4.925 1.387 ( -0.465 0.000 1.037) 1.137 1.410 ( -1.872 0.000 -0.872) 2.065 1.472 ( -5.937 0.000 1.451) 6.112 1.486 ( 1.369 -0.000 -0.288) 1.399 1.508 ( -5.702 0.000 0.228) 5.706 1.512 ( 0.255 -0.000 0.243) 0.352 1.568 ( 0.014 -0.000 1.310) 1.310 1.626 ( 7.457 -0.000 -0.014) 7.457 1.709 ( -2.361 0.000 -5.741) 6.207 1.791 ( 4.130 -0.000 -0.562) 4.168 1.833 ( 3.236 -0.000 0.300) 3.250 1.844 ( 2.638 -0.000 -5.841) 6.409 1.902 ( 0.022 -0.000 -3.375) 3.375 1.932 ( -2.150 0.000 3.576) 4.172 1.938 ( -3.045 0.000 -0.373) 3.068 1.994 ( -3.122 0.000 4.162) 5.202 2.038 ( 1.850 -0.000 0.600) 1.945 2.051 ( -4.014 0.000 2.195) 4.575 2.116 ( 0.624 -0.000 1.408) 1.541 2.168 ( 2.349 -0.000 1.699) 2.899 2.179 ( 4.362 -0.000 -4.433) 6.219 2.234 ( -4.235 0.000 -1.516) 4.498 2.264 ( -5.831 0.000 2.468) 6.332 2.276 ( -1.097 0.000 3.321) 3.497 2.296 ( -0.124 0.000 -3.283) 3.286 2.307 ( 0.351 -0.000 -2.297) 2.324 2.359 ( 1.436 -0.000 3.661) 3.932 2.376 ( -1.683 0.000 2.835) 3.297 2.379 ( 0.831 -0.000 1.356) 1.591 2.451 ( 0.959 -0.000 3.579) 3.705 2.516 ( 0.467 -0.000 3.203) 3.237 2.558 ( 5.932 -0.000 -0.893) 5.999 2.589 ( -0.686 0.000 1.041) 1.247 2.638 ( 0.404 -0.000 -0.684) 0.795 2.702 ( 1.192 -0.000 2.427) 2.704 2.750 ( 0.502 -0.000 -2.970) 3.012 2.800 ( 1.117 -0.000 1.852) 2.163 2.870 ( -1.273 0.000 -0.710) 1.457 2.920 ( -1.749 0.000 -3.384) 3.809 2.933 ( -0.390 0.000 0.686) 0.789 3.011 ( -4.459 0.000 -2.172) 4.960 3.015 ( -2.828 0.000 -5.967) 6.604 3.120 ( 1.539 -0.000 -0.680) 1.682 3.131 ( 1.636 -0.000 3.499) 3.862 3.148 ( 0.036 -0.000 -2.298) 2.298 3.167 ( -0.219 0.000 1.409) 1.426 3.218 ( -0.865 0.000 2.928) 3.053 3.260 ( -3.050 0.000 -1.571) 3.431 3.276 ( -0.621 0.000 0.909) 1.101 3.378 ( -2.200 0.000 -1.051) 2.438 3.403 ( -0.296 0.000 -1.256) 1.290 3.442 ( -3.556 0.000 -1.030) 3.702 3.492 ( -0.221 0.000 -1.192) 1.213 3.557 ( -2.104 0.000 2.976) 3.645 3.644 ( -1.433 0.000 1.425) 2.021 3.675 ( -0.093 0.000 0.488) 0.497 3.822 ( -2.288 0.000 -1.474) 2.722 3.833 ( -0.129 0.000 -0.023) 0.131 3.847 ( 0.237 -0.000 0.068) 0.247 3.899 ( 1.276 -0.000 -4.457) 4.636 3.929 ( -1.216 0.000 -0.002) 1.216 3.967 ( -1.667 0.000 0.099) 1.670 4.142 ( -2.885 0.000 -3.116) 4.246 4.164 ( -0.982 0.000 -9.129) 9.182 4.350 ( 0.047 -0.000 0.211) 0.216 4.355 ( 0.059 -0.000 0.278) 0.285 4.359 ( -0.177 0.000 -0.207) 0.272 4.468 ( -4.456 0.000 0.509) 4.485 4.530 ( 0.192 -0.000 0.136) 0.235 4.553 ( -0.113 0.000 -0.145) 0.184 5.332 ( -0.255 0.000 -0.007) 0.255 ======================= Grid point 24 (17/117) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( 7.486 -15.135 4.001) 17.353 0.509 ( 10.297 -15.030 4.089) 18.672 0.782 ( -8.450 -6.740 -3.660) 11.411 0.861 ( -3.733 -7.833 -2.882) 9.143 0.896 ( 10.799 -21.574 4.650) 24.570 1.009 ( -3.131 4.871 -1.274) 5.929 1.058 ( -2.323 -7.095 3.691) 8.328 1.103 ( 1.277 -0.910 -4.652) 4.909 1.140 ( -2.456 -2.783 0.955) 3.833 1.176 ( 2.784 -4.019 -1.031) 4.996 1.200 ( 2.804 -1.831 0.462) 3.381 1.230 ( 2.493 -4.858 -2.125) 5.859 1.290 ( -1.379 -7.686 -0.924) 7.864 1.315 ( 3.476 -3.542 2.550) 5.579 1.355 ( 0.077 -6.979 -1.367) 7.112 1.408 ( -3.884 -5.359 1.947) 6.899 1.448 ( -0.697 -3.882 2.071) 4.455 1.479 ( -2.212 -4.325 -1.608) 5.117 1.500 ( -2.269 -5.872 0.955) 6.367 1.515 ( -0.508 -6.368 2.666) 6.922 1.561 ( 1.390 -3.300 0.557) 3.625 1.574 ( -0.239 -2.345 0.931) 2.534 1.678 ( 1.114 -7.223 -1.055) 7.384 1.694 ( 5.241 -5.111 0.334) 7.329 1.750 ( -5.758 -4.899 -4.206) 8.651 1.827 ( 2.506 -0.517 -2.627) 3.667 1.848 ( -1.784 -4.918 -0.508) 5.257 1.923 ( -3.851 -0.639 2.769) 4.785 1.933 ( 0.531 -3.939 -4.332) 5.879 1.968 ( -1.080 -2.824 0.442) 3.056 1.992 ( -3.350 -1.924 2.516) 4.611 2.005 ( -3.358 -1.407 0.863) 3.741 2.060 ( -1.591 -0.288 0.673) 1.751 2.102 ( -0.444 -5.151 0.084) 5.171 2.147 ( -1.260 -3.236 -1.978) 3.997 2.181 ( 1.965 -1.313 -1.463) 2.779 2.221 ( -0.320 -1.140 2.047) 2.365 2.239 ( -3.775 -1.182 1.048) 4.092 2.280 ( -1.526 -3.715 0.943) 4.125 2.287 ( 0.034 -1.123 2.843) 3.057 2.313 ( -0.558 -0.038 -1.060) 1.199 2.345 ( 0.850 -2.777 -4.086) 5.013 2.361 ( 0.368 -1.408 -0.055) 1.456 2.393 ( 0.249 -3.536 -1.829) 3.989 2.445 ( 0.560 1.909 2.166) 2.941 2.453 ( -0.345 -2.639 3.804) 4.643 2.479 ( 0.361 -1.557 2.135) 2.667 2.558 ( 3.302 -0.001 -1.367) 3.574 2.588 ( -0.216 0.352 4.047) 4.068 2.640 ( 0.502 -0.587 -3.268) 3.358 2.706 ( 4.331 0.685 0.237) 4.391 2.741 ( 2.191 2.216 0.699) 3.194 2.798 ( -2.594 -2.694 2.765) 4.651 2.893 ( -0.602 0.133 -3.670) 3.721 2.907 ( -0.819 2.323 -1.317) 2.793 2.935 ( -1.158 2.354 -1.257) 2.909 2.947 ( -2.133 -0.578 -0.821) 2.358 2.988 ( -1.819 3.584 0.314) 4.032 3.026 ( -1.689 -2.548 -1.401) 3.363 3.110 ( 2.337 1.714 1.872) 3.450 3.179 ( -4.392 1.903 1.407) 4.989 3.197 ( -0.741 -0.539 0.620) 1.106 3.238 ( 1.620 -1.438 2.496) 3.305 3.266 ( -2.025 0.183 0.070) 2.034 3.288 ( -3.959 -1.925 -2.269) 4.953 3.368 ( -0.435 2.319 -2.521) 3.453 3.375 ( -2.644 0.533 1.572) 3.122 3.412 ( -0.606 0.192 -1.999) 2.097 3.474 ( -1.354 1.333 0.411) 1.944 3.516 ( 0.484 2.210 0.471) 2.311 3.644 ( -0.928 0.258 0.212) 0.986 3.667 ( -0.082 0.388 0.508) 0.645 3.764 ( -2.040 3.260 -0.989) 3.971 3.812 ( -1.479 1.935 0.384) 2.465 3.895 ( -0.531 -2.125 1.766) 2.814 3.907 ( -0.739 -0.321 -1.558) 1.754 3.937 ( -0.566 -0.444 -1.110) 1.322 3.944 ( -1.676 1.438 -0.310) 2.230 4.029 ( 2.572 3.394 0.060) 4.259 4.110 ( -3.077 2.337 -0.117) 3.866 4.321 ( 0.128 2.404 0.121) 2.410 4.361 ( -0.261 -0.104 -0.172) 0.329 4.371 ( -2.986 3.827 -0.590) 4.889 4.402 ( -0.451 -1.451 -0.197) 1.532 4.555 ( -0.086 0.093 -0.084) 0.152 4.575 ( -1.306 0.022 -0.734) 1.498 5.324 ( -0.204 0.693 0.000) 0.722 ======================= Grid point 25 (18/117) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 3.862 -14.311 2.747) 15.075 0.843 ( 3.872 -13.743 1.891) 14.402 0.904 ( -2.883 -3.241 -1.901) 4.736 0.974 ( -5.915 -6.650 -0.761) 8.933 0.990 ( -0.539 -8.522 -0.545) 8.557 1.093 ( 0.664 -3.218 -0.231) 3.294 1.114 ( -1.761 -0.984 1.319) 2.410 1.152 ( -1.374 -3.749 -2.196) 4.557 1.253 ( 2.207 -2.704 2.191) 4.121 1.283 ( 3.334 -3.922 0.371) 5.161 1.327 ( 2.088 -2.257 -1.640) 3.484 1.376 ( -1.204 -4.313 2.307) 5.037 1.431 ( -1.114 -3.664 -4.074) 5.591 1.457 ( 3.509 -4.201 -0.834) 5.537 1.491 ( 0.610 -12.243 2.041) 12.427 1.520 ( 0.060 -4.169 -0.885) 4.263 1.548 ( -1.374 -6.755 3.114) 7.564 1.575 ( 0.488 -6.265 0.674) 6.320 1.609 ( -0.172 -8.983 -0.606) 9.006 1.641 ( 0.764 -7.241 1.610) 7.457 1.679 ( -1.722 -4.138 -0.329) 4.494 1.749 ( 1.050 -11.798 0.393) 11.851 1.773 ( -1.215 -1.189 -0.127) 1.705 1.808 ( -0.510 -2.347 1.658) 2.918 1.830 ( 1.059 -4.612 -2.099) 5.177 1.891 ( 2.393 -5.576 -0.460) 6.085 1.912 ( 1.679 -3.127 0.925) 3.668 1.964 ( -1.636 -1.398 1.378) 2.556 1.977 ( -0.079 -1.536 -3.216) 3.565 2.009 ( -2.342 -3.570 1.366) 4.482 2.045 ( -2.287 -1.006 0.853) 2.640 2.053 ( -1.311 -4.524 -2.617) 5.388 2.083 ( -2.537 -2.890 2.425) 4.546 2.163 ( -3.493 -1.769 -0.177) 3.919 2.211 ( 1.591 -2.161 -0.439) 2.719 2.239 ( -2.446 -2.899 0.185) 3.797 2.264 ( 0.547 -2.176 -0.803) 2.383 2.287 ( -1.018 -3.528 -0.272) 3.682 2.292 ( 0.434 0.197 1.424) 1.502 2.317 ( 0.058 -2.404 0.824) 2.542 2.347 ( -0.106 -3.167 0.531) 3.213 2.382 ( -1.585 -1.453 -1.562) 2.658 2.432 ( -1.405 -3.682 -2.128) 4.479 2.455 ( -0.156 -5.915 -1.048) 6.009 2.467 ( -1.660 1.603 0.382) 2.339 2.474 ( 0.073 -6.885 0.074) 6.886 2.555 ( -0.586 -2.544 0.625) 2.684 2.604 ( 1.264 -0.925 5.971) 6.173 2.628 ( 0.865 -4.085 -0.905) 4.273 2.671 ( -0.423 -2.977 -1.608) 3.410 2.686 ( 3.489 1.618 1.299) 4.059 2.721 ( -0.918 -1.487 -0.386) 1.790 2.829 ( -4.394 4.319 -1.958) 6.464 2.854 ( -0.848 3.262 -1.096) 3.544 2.861 ( -1.367 -0.936 1.664) 2.349 2.906 ( 0.772 -2.257 -3.546) 4.274 2.926 ( -0.400 -0.778 0.029) 0.875 2.951 ( -0.849 1.449 0.928) 1.919 3.049 ( 2.082 1.178 -0.617) 2.470 3.132 ( 1.111 -3.315 3.675) 5.072 3.148 ( -1.747 -0.356 -0.770) 1.942 3.185 ( 0.212 1.047 2.669) 2.875 3.245 ( -0.917 0.725 2.064) 2.372 3.283 ( -2.096 -1.542 -1.449) 2.978 3.309 ( -0.205 -0.783 -0.975) 1.267 3.331 ( -1.597 -0.714 -0.832) 1.937 3.351 ( -0.764 1.711 -4.252) 4.646 3.402 ( -1.910 0.339 -1.070) 2.216 3.450 ( -1.027 0.272 3.828) 3.973 3.482 ( -0.490 0.899 -0.879) 1.349 3.621 ( -1.664 0.796 -0.365) 1.881 3.668 ( -0.090 -0.330 0.400) 0.526 3.700 ( -0.373 2.316 -0.110) 2.348 3.767 ( -1.706 1.556 -0.126) 2.313 3.895 ( -1.113 0.667 0.194) 1.312 3.912 ( -0.529 1.377 0.527) 1.566 3.918 ( -0.970 0.218 0.397) 1.071 3.931 ( -0.482 0.934 -0.949) 1.416 3.984 ( 2.456 2.025 -0.802) 3.283 4.051 ( -3.121 2.370 0.092) 3.920 4.281 ( 0.170 1.443 -0.225) 1.470 4.300 ( -1.588 1.843 -0.056) 2.433 4.353 ( -0.069 1.001 -0.019) 1.004 4.418 ( -0.032 0.154 0.060) 0.168 4.536 ( 0.015 2.150 -0.072) 2.152 4.545 ( -0.535 2.269 -0.207) 2.341 5.307 ( -0.096 0.829 0.006) 0.835 ======================= Grid point 26 (19/117) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -0.044 -2.108 0.349) 2.138 1.051 ( 1.318 -7.321 2.635) 7.892 1.052 ( 1.561 -7.640 0.587) 7.820 1.118 ( -2.545 -6.018 0.080) 6.534 1.136 ( -1.439 -3.254 -2.668) 4.447 1.171 ( -0.278 -2.780 -0.147) 2.797 1.207 ( 2.168 -9.218 2.152) 9.710 1.237 ( 0.351 -3.653 -0.354) 3.687 1.339 ( 2.178 -2.087 -2.853) 4.152 1.357 ( 0.947 -7.284 0.525) 7.364 1.401 ( -1.250 -6.207 1.755) 6.571 1.456 ( -0.400 -3.429 2.409) 4.210 1.478 ( -0.632 -1.514 -2.439) 2.939 1.501 ( 1.370 -1.650 -0.672) 2.247 1.591 ( -1.037 4.090 -1.864) 4.613 1.599 ( -2.335 -6.137 0.294) 6.573 1.618 ( -2.057 -3.309 -0.338) 3.911 1.663 ( 1.539 -1.968 0.072) 2.499 1.699 ( -1.389 -2.903 2.128) 3.858 1.738 ( -3.906 -2.303 0.137) 4.536 1.776 ( -1.076 -3.717 0.137) 3.872 1.807 ( -0.241 -2.851 0.247) 2.872 1.825 ( 1.315 -0.311 -0.832) 1.587 1.879 ( 0.548 0.003 0.628) 0.833 1.931 ( -0.847 -3.350 -2.019) 4.002 1.961 ( 0.123 -0.784 0.556) 0.969 1.971 ( 0.537 -1.016 -2.033) 2.335 1.984 ( -1.965 0.154 1.572) 2.521 2.044 ( -0.615 -3.256 0.533) 3.356 2.071 ( -0.134 -4.028 0.581) 4.072 2.113 ( 1.711 -0.362 0.390) 1.792 2.147 ( 2.088 -4.725 1.568) 5.398 2.155 ( 1.436 -1.993 -0.357) 2.482 2.176 ( 4.993 1.691 -0.974) 5.360 2.218 ( 0.057 -4.314 0.836) 4.395 2.238 ( -0.513 0.759 1.909) 2.118 2.285 ( -2.829 1.750 1.050) 3.488 2.329 ( 2.141 -3.324 -1.402) 4.195 2.344 ( -4.309 -2.085 -0.786) 4.851 2.374 ( 1.436 -2.027 -2.328) 3.405 2.411 ( -2.765 -3.134 -2.074) 4.666 2.440 ( 1.828 -3.875 1.191) 4.447 2.460 ( -1.123 -0.684 4.643) 4.825 2.500 ( -3.829 -3.820 -0.896) 5.482 2.554 ( 0.087 0.101 0.438) 0.457 2.572 ( -0.352 2.601 -2.342) 3.518 2.599 ( -1.607 -4.019 0.188) 4.332 2.647 ( -1.389 -3.603 -0.421) 3.884 2.681 ( -0.858 -1.608 1.216) 2.190 2.699 ( 0.219 -6.179 -0.786) 6.233 2.727 ( -2.297 -3.000 0.892) 3.882 2.773 ( 0.838 2.431 0.638) 2.649 2.784 ( -0.572 -3.981 -1.827) 4.417 2.813 ( -1.552 1.356 -1.362) 2.470 2.877 ( -0.153 -6.143 1.200) 6.261 2.892 ( -0.535 1.736 -0.871) 2.015 2.917 ( 0.992 -0.424 -0.601) 1.235 3.027 ( 1.180 -3.112 0.711) 3.403 3.095 ( 1.960 -5.121 1.310) 5.638 3.159 ( -0.344 0.830 0.333) 0.958 3.168 ( -0.808 -2.667 0.134) 2.790 3.196 ( -0.345 -2.460 2.278) 3.370 3.281 ( 0.468 -3.698 -0.332) 3.743 3.293 ( -0.965 0.130 -0.431) 1.065 3.301 ( -0.572 0.613 1.411) 1.642 3.317 ( 0.162 -0.355 -4.929) 4.945 3.387 ( 0.038 -4.148 -0.367) 4.164 3.426 ( -1.824 -4.073 0.161) 4.466 3.454 ( -0.026 0.398 1.664) 1.711 3.492 ( -0.474 -2.275 -0.026) 2.324 3.618 ( -1.269 -0.895 -0.123) 1.557 3.657 ( -0.282 1.398 -0.194) 1.439 3.697 ( -0.159 -2.173 0.292) 2.198 3.751 ( -1.339 -0.527 -0.234) 1.458 3.859 ( -0.185 3.589 -0.250) 3.602 3.880 ( -0.206 1.656 0.271) 1.690 3.888 ( -0.350 0.689 -0.254) 0.814 3.916 ( -0.511 0.705 0.425) 0.968 3.957 ( 1.150 1.153 -0.695) 1.771 4.007 ( -1.472 1.221 0.176) 1.921 4.253 ( -0.215 1.563 -0.447) 1.640 4.283 ( -0.135 -0.021 0.444) 0.465 4.318 ( -0.099 2.172 -0.109) 2.177 4.392 ( -0.116 2.403 0.148) 2.410 4.460 ( -0.409 4.849 -0.378) 4.881 4.488 ( 0.164 3.390 0.160) 3.398 5.291 ( -0.039 0.621 0.003) 0.622 ======================= Grid point 27 (20/117) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 0.212 -1.831 0.083) 1.845 1.140 ( -0.110 -0.522 0.765) 0.933 1.145 ( 0.844 -2.550 0.095) 2.687 1.197 ( -1.835 -4.676 -1.544) 5.255 1.218 ( 1.112 -2.618 -0.271) 2.858 1.223 ( 0.246 -2.932 1.866) 3.484 1.269 ( -0.612 -2.181 -1.473) 2.702 1.384 ( 1.462 -4.890 1.842) 5.426 1.394 ( 2.118 0.646 -0.216) 2.225 1.429 ( 0.017 2.850 -1.005) 3.022 1.468 ( 0.012 0.459 1.877) 1.932 1.496 ( -1.344 -2.448 1.086) 2.996 1.524 ( -1.347 -2.562 -1.623) 3.319 1.529 ( -1.294 -2.884 -0.207) 3.168 1.563 ( 1.502 -3.762 -1.958) 4.500 1.666 ( -1.675 -1.188 0.725) 2.178 1.694 ( -2.571 -0.867 1.353) 3.032 1.724 ( 0.321 -1.830 -0.726) 1.995 1.756 ( -0.320 -6.344 -0.706) 6.391 1.801 ( 0.200 -2.427 -0.417) 2.470 1.820 ( -2.195 -3.645 0.538) 4.289 1.829 ( -0.202 -2.880 -0.199) 2.893 1.876 ( 1.772 -2.084 3.487) 4.431 1.903 ( 0.278 -1.981 -2.643) 3.315 1.953 ( 0.060 -1.170 0.008) 1.172 1.965 ( -0.064 0.062 0.288) 0.301 1.979 ( -1.102 -0.706 -0.675) 1.473 2.023 ( 0.338 -1.649 0.868) 1.894 2.048 ( -0.039 -0.356 -0.773) 0.852 2.079 ( 1.772 2.919 1.062) 3.576 2.095 ( 0.465 0.538 -1.294) 1.477 2.115 ( -1.485 3.581 0.427) 3.900 2.175 ( 2.778 0.301 -0.986) 2.963 2.194 ( 0.955 0.606 -1.427) 1.820 2.229 ( -1.913 2.480 1.763) 3.594 2.233 ( 0.898 -0.993 -0.258) 1.363 2.276 ( -0.556 3.793 -0.895) 3.937 2.296 ( -2.416 -0.375 2.022) 3.173 2.363 ( -0.453 3.113 0.181) 3.151 2.399 ( 0.907 -0.961 1.502) 2.000 2.431 ( 1.945 2.007 -2.660) 3.858 2.452 ( -0.388 2.177 0.466) 2.259 2.510 ( 0.751 -1.265 0.108) 1.475 2.528 ( -0.382 -3.420 -0.811) 3.535 2.559 ( -1.093 6.817 0.874) 6.959 2.572 ( 0.148 -3.332 -0.316) 3.350 2.599 ( -3.957 -2.602 1.645) 5.013 2.665 ( -0.290 0.000 -2.092) 2.112 2.692 ( -0.603 0.154 -0.889) 1.086 2.739 ( -0.206 -0.940 3.172) 3.314 2.764 ( -0.588 -0.865 -1.038) 1.474 2.791 ( 0.347 -1.345 -1.776) 2.255 2.857 ( 0.163 -3.238 -0.048) 3.243 2.910 ( 1.109 -3.691 -0.328) 3.867 2.919 ( 0.482 -3.738 1.487) 4.052 2.952 ( 0.195 -4.734 1.580) 4.994 2.990 ( 0.552 -1.907 -1.068) 2.255 3.077 ( -1.224 -4.127 -0.296) 4.314 3.113 ( -0.354 0.746 0.269) 0.868 3.231 ( 0.290 -1.946 0.517) 2.034 3.253 ( 1.555 -4.469 1.940) 5.114 3.274 ( -0.618 -3.831 -0.927) 3.989 3.296 ( 0.940 -1.842 -2.025) 2.894 3.308 ( -1.941 -3.179 0.908) 3.834 3.348 ( -0.857 -4.809 -1.643) 5.153 3.391 ( -0.492 -3.941 -0.053) 3.972 3.426 ( 0.070 0.932 0.746) 1.195 3.480 ( -0.192 -3.287 -0.116) 3.295 3.503 ( 0.043 -1.410 0.010) 1.411 3.554 ( 0.662 -4.653 0.366) 4.714 3.642 ( 0.197 -0.154 -0.049) 0.255 3.653 ( -0.933 -2.534 -0.009) 2.700 3.721 ( -0.237 2.230 0.144) 2.248 3.754 ( -0.111 1.697 -0.077) 1.703 3.808 ( 0.088 -0.637 -0.189) 0.670 3.853 ( 0.096 0.119 0.212) 0.261 3.884 ( 0.082 -0.754 -0.416) 0.865 3.905 ( -0.641 -0.115 0.469) 0.803 3.944 ( 0.212 0.501 -0.358) 0.651 3.987 ( -0.196 0.215 0.219) 0.364 4.211 ( -0.263 2.233 -0.059) 2.249 4.255 ( 0.026 2.759 -0.275) 2.773 4.298 ( 0.118 0.842 0.033) 0.851 4.326 ( 0.315 3.474 1.051) 3.643 4.355 ( -0.824 3.859 -1.068) 4.088 4.417 ( 0.218 3.231 0.182) 3.244 5.282 ( -0.012 0.307 -0.000) 0.307 ======================= Grid point 28 (21/117) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -0.040 0.260 0.003) 0.263 1.129 ( -0.149 0.235 -0.066) 0.286 1.201 ( 0.667 -1.743 0.492) 1.930 1.232 ( -0.531 2.721 0.123) 2.775 1.238 ( -0.199 0.626 -1.349) 1.501 1.271 ( 0.210 -1.677 2.184) 2.762 1.286 ( -0.784 2.176 -2.199) 3.192 1.358 ( 0.958 -4.571 1.088) 4.796 1.401 ( -0.242 3.039 -0.365) 3.070 1.442 ( 0.175 -0.408 0.103) 0.456 1.451 ( 1.121 0.074 0.489) 1.226 1.510 ( -0.771 0.613 -0.088) 0.989 1.549 ( -0.232 0.234 -0.404) 0.521 1.590 ( -0.273 -0.672 0.551) 0.910 1.605 ( 0.125 -0.699 -0.295) 0.769 1.682 ( -0.069 -1.992 -0.455) 2.045 1.700 ( -0.444 -0.943 0.120) 1.049 1.743 ( -0.051 0.314 -0.263) 0.413 1.815 ( 0.006 0.177 -0.115) 0.211 1.836 ( 0.957 0.219 -0.831) 1.286 1.854 ( -1.335 -1.078 0.861) 1.920 1.903 ( 1.707 -1.240 1.070) 2.366 1.914 ( -0.481 -0.429 -0.465) 0.794 1.923 ( 0.132 -0.655 -0.183) 0.693 1.967 ( 0.511 2.029 0.678) 2.200 1.983 ( 0.786 2.573 -0.077) 2.691 1.991 ( 0.087 0.198 1.507) 1.522 2.003 ( -1.153 1.412 -1.688) 2.484 2.037 ( 0.327 -0.061 0.208) 0.393 2.060 ( -1.067 -1.195 -0.799) 1.791 2.107 ( 0.054 -0.223 -0.152) 0.275 2.132 ( 0.297 -1.182 0.535) 1.331 2.142 ( 0.814 -1.812 0.797) 2.141 2.160 ( -2.926 -0.850 -1.583) 3.434 2.188 ( 0.641 -1.132 0.058) 1.302 2.216 ( -0.031 3.603 -0.058) 3.603 2.276 ( 2.903 -1.944 0.853) 3.597 2.293 ( -1.815 -2.300 -0.531) 2.978 2.337 ( 0.488 0.478 0.685) 0.968 2.355 ( 3.144 2.845 0.663) 4.292 2.380 ( -4.282 4.074 -1.172) 6.026 2.416 ( -0.048 1.117 -0.082) 1.121 2.489 ( 1.133 -4.132 0.539) 4.318 2.546 ( -0.095 -1.802 -1.329) 2.241 2.579 ( 0.220 -0.020 1.106) 1.128 2.596 ( -0.506 -0.244 0.065) 0.565 2.647 ( 0.395 -3.275 0.048) 3.299 2.667 ( -0.080 0.764 -0.349) 0.844 2.687 ( -0.291 0.155 -0.486) 0.588 2.748 ( 0.237 0.175 1.895) 1.918 2.776 ( -0.074 0.022 -0.026) 0.082 2.800 ( -0.434 -0.812 -1.793) 2.016 2.879 ( 0.301 1.228 0.383) 1.321 2.940 ( 0.070 0.557 0.244) 0.612 2.961 ( -0.222 0.883 -0.003) 0.911 2.982 ( 0.633 0.874 -0.152) 1.090 3.024 ( -0.644 -0.048 0.030) 0.647 3.114 ( 0.253 -0.392 -0.120) 0.482 3.151 ( -0.163 -1.672 0.101) 1.683 3.229 ( 0.076 1.176 0.002) 1.179 3.298 ( 0.016 0.002 -0.002) 0.017 3.302 ( -0.008 -0.264 0.006) 0.264 3.347 ( -0.023 -1.305 0.042) 1.306 3.366 ( 0.109 1.319 -0.163) 1.333 3.373 ( -0.078 0.956 0.106) 0.965 3.439 ( -0.003 -0.317 0.041) 0.319 3.460 ( -0.029 -1.933 -0.041) 1.934 3.510 ( 0.082 -0.720 0.045) 0.726 3.563 ( -0.029 -3.453 -0.009) 3.453 3.603 ( -0.329 3.457 -0.154) 3.476 3.644 ( 0.716 -1.297 0.223) 1.498 3.664 ( -0.597 3.565 -0.123) 3.617 3.682 ( 0.160 -1.424 0.018) 1.433 3.703 ( 0.002 -0.223 0.004) 0.223 3.825 ( 0.023 -0.020 -0.000) 0.030 3.854 ( -0.022 0.021 0.000) 0.031 3.912 ( 0.020 -0.490 0.059) 0.494 3.914 ( -0.010 -0.357 -0.069) 0.363 3.932 ( -0.006 0.278 0.010) 0.278 4.003 ( -0.007 0.200 -0.006) 0.200 4.184 ( 0.178 -0.174 0.228) 0.337 4.216 ( -0.404 -1.110 -0.570) 1.311 4.252 ( 0.418 1.191 0.644) 1.418 4.284 ( -0.248 0.028 -0.372) 0.447 4.350 ( 0.154 -1.629 0.165) 1.645 4.370 ( -0.094 1.127 -0.091) 1.135 5.279 ( 0.000 -0.009 0.000) 0.009 ======================= Grid point 29 (22/117) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 0.000 2.036 0.000) 2.036 1.136 ( 0.000 4.671 0.000) 4.671 1.140 ( -0.000 -0.780 -0.000) 0.780 1.190 ( 0.000 4.447 0.000) 4.447 1.210 ( 0.000 1.407 0.000) 1.407 1.228 ( 0.000 3.223 0.000) 3.223 1.262 ( 0.000 2.896 0.000) 2.896 1.379 ( 0.000 6.256 0.000) 6.256 1.401 ( -0.000 -1.914 -0.000) 1.914 1.438 ( 0.000 0.884 0.000) 0.884 1.446 ( -0.000 -1.697 -0.000) 1.697 1.480 ( 0.000 0.765 0.000) 0.765 1.521 ( 0.000 4.476 0.000) 4.476 1.545 ( 0.000 4.003 0.000) 4.003 1.639 ( -0.000 -3.764 -0.000) 3.764 1.660 ( 0.000 4.767 0.000) 4.767 1.711 ( 0.000 2.468 0.000) 2.468 1.755 ( -0.000 -2.282 -0.000) 2.282 1.761 ( 0.000 3.703 0.000) 3.703 1.768 ( 0.000 3.401 0.000) 3.401 1.843 ( 0.000 6.763 0.000) 6.763 1.895 ( 0.000 2.305 0.000) 2.305 1.898 ( 0.000 1.499 0.000) 1.499 1.912 ( -0.000 -0.731 -0.000) 0.731 1.927 ( 0.000 0.982 0.000) 0.982 1.962 ( -0.000 -2.636 -0.000) 2.636 1.983 ( 0.000 1.511 0.000) 1.511 2.003 ( -0.000 -0.750 -0.000) 0.750 2.005 ( -0.000 -0.612 -0.000) 0.612 2.077 ( 0.000 1.099 0.000) 1.099 2.108 ( 0.000 2.246 0.000) 2.246 2.111 ( 0.000 1.851 0.000) 1.851 2.146 ( -0.000 -1.108 -0.000) 1.108 2.183 ( -0.000 -3.181 -0.000) 3.181 2.226 ( -0.000 -2.140 -0.000) 2.140 2.236 ( -0.000 -0.485 -0.000) 0.485 2.303 ( -0.000 -0.951 -0.000) 0.951 2.314 ( 0.000 1.749 0.000) 1.749 2.371 ( -0.000 -0.758 -0.000) 0.758 2.374 ( -0.000 -3.092 -0.000) 3.092 2.412 ( -0.000 -4.354 -0.000) 4.354 2.452 ( -0.000 -8.638 -0.000) 8.638 2.505 ( 0.000 4.767 0.000) 4.767 2.515 ( 0.000 3.476 0.000) 3.476 2.605 ( 0.000 4.725 0.000) 4.725 2.607 ( -0.000 -2.910 -0.000) 2.910 2.670 ( -0.000 -5.027 -0.000) 5.027 2.681 ( 0.000 0.940 0.000) 0.940 2.712 ( -0.000 -1.562 -0.000) 1.562 2.756 ( 0.000 2.468 0.000) 2.468 2.756 ( -0.000 -1.613 -0.000) 1.613 2.805 ( 0.000 5.368 0.000) 5.368 2.819 ( -0.000 -0.680 -0.000) 0.680 2.891 ( 0.000 5.150 0.000) 5.150 2.894 ( 0.000 1.931 0.000) 1.931 2.958 ( 0.000 1.601 0.000) 1.601 2.968 ( 0.000 5.349 0.000) 5.349 3.111 ( 0.000 4.815 0.000) 4.815 3.118 ( -0.000 -0.128 -0.000) 0.128 3.217 ( 0.000 0.505 0.000) 0.505 3.222 ( 0.000 6.955 0.000) 6.955 3.281 ( 0.000 3.925 0.000) 3.925 3.297 ( 0.000 0.978 0.000) 0.978 3.342 ( 0.000 1.279 0.000) 1.279 3.397 ( 0.000 3.117 0.000) 3.117 3.397 ( -0.000 -1.153 -0.000) 1.153 3.413 ( 0.000 7.802 0.000) 7.802 3.489 ( 0.000 4.564 0.000) 4.564 3.500 ( 0.000 1.970 0.000) 1.970 3.532 ( 0.000 1.503 0.000) 1.503 3.644 ( 0.000 0.055 0.000) 0.055 3.669 ( 0.000 1.979 0.000) 1.979 3.741 ( -0.000 -0.559 -0.000) 0.559 3.742 ( -0.000 -5.153 -0.000) 5.153 3.816 ( -0.000 -0.758 -0.000) 0.758 3.844 ( 0.000 1.155 0.000) 1.155 3.887 ( 0.000 0.819 0.000) 0.819 3.917 ( 0.000 0.018 0.000) 0.018 3.941 ( -0.000 -0.271 -0.000) 0.271 3.991 ( -0.000 -1.064 -0.000) 1.064 4.221 ( -0.000 -2.947 -0.000) 2.947 4.251 ( -0.000 -0.707 -0.000) 0.707 4.305 ( -0.000 -0.761 -0.000) 0.761 4.308 ( -0.000 -5.569 -0.000) 5.569 4.390 ( -0.000 -3.563 -0.000) 3.563 4.399 ( -0.000 -3.093 -0.000) 3.093 5.282 ( -0.000 -0.324 -0.000) 0.324 ======================= Grid point 34 (23/117) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.307 ( 14.103 -0.000 7.512) 15.979 0.372 ( 17.811 -0.000 7.082) 19.167 0.622 ( 29.474 -0.000 8.919) 30.794 0.675 ( -9.784 0.000 -4.228) 10.658 0.798 ( -12.427 0.000 -3.086) 12.804 0.968 ( -0.438 0.000 0.717) 0.840 0.978 ( 0.080 -0.000 -0.581) 0.586 1.088 ( -0.205 0.000 3.045) 3.052 1.100 ( 1.921 -0.000 -2.688) 3.304 1.132 ( 2.518 -0.000 -5.181) 5.761 1.135 ( 1.393 -0.000 -3.875) 4.118 1.187 ( 0.090 -0.000 0.865) 0.870 1.204 ( -3.486 0.000 1.374) 3.746 1.285 ( -2.344 0.000 -1.173) 2.621 1.299 ( 3.216 -0.000 1.177) 3.425 1.334 ( -6.278 0.000 0.711) 6.318 1.387 ( -0.008 0.000 0.860) 0.860 1.416 ( 1.669 -0.000 2.376) 2.903 1.441 ( -5.247 0.000 2.082) 5.645 1.470 ( -5.928 0.000 -1.770) 6.186 1.493 ( 0.970 -0.000 -0.217) 0.994 1.514 ( 0.245 -0.000 0.285) 0.376 1.572 ( 0.152 -0.000 1.241) 1.251 1.660 ( 2.983 -0.000 -1.865) 3.518 1.698 ( 3.134 -0.000 -2.776) 4.187 1.815 ( 3.609 -0.000 0.156) 3.612 1.850 ( 2.644 -0.000 -3.578) 4.449 1.855 ( 3.505 -0.000 0.220) 3.512 1.896 ( 0.311 -0.000 -2.800) 2.817 1.923 ( -1.744 0.000 0.306) 1.771 1.925 ( -2.263 0.000 2.527) 3.393 1.980 ( -4.559 0.000 3.925) 6.016 2.033 ( -3.583 0.000 2.795) 4.544 2.045 ( 0.261 -0.000 -0.151) 0.302 2.124 ( 0.612 -0.000 2.339) 2.418 2.188 ( 2.515 -0.000 3.157) 4.036 2.190 ( 2.925 -0.000 -5.227) 5.990 2.207 ( -2.951 0.000 -1.867) 3.492 2.231 ( -5.159 0.000 1.041) 5.263 2.283 ( 0.194 -0.000 3.050) 3.056 2.284 ( -1.113 0.000 -3.971) 4.124 2.305 ( 0.325 -0.000 -1.064) 1.112 2.365 ( -1.314 0.000 1.642) 2.103 2.381 ( 1.502 -0.000 2.243) 2.700 2.386 ( 0.678 -0.000 1.198) 1.377 2.462 ( 0.624 -0.000 1.826) 1.930 2.527 ( 0.608 -0.000 5.215) 5.251 2.582 ( 2.738 -0.000 -1.627) 3.185 2.586 ( -0.942 0.000 0.999) 1.373 2.640 ( 0.698 -0.000 -0.628) 0.939 2.718 ( 2.265 -0.000 2.623) 3.466 2.750 ( 1.653 -0.000 -2.922) 3.357 2.814 ( 2.867 -0.000 0.777) 2.971 2.861 ( -1.275 0.000 -0.695) 1.452 2.902 ( -1.780 0.000 -2.967) 3.460 2.932 ( -0.389 0.000 0.609) 0.723 2.978 ( -5.006 0.000 -0.909) 5.088 2.994 ( -1.572 0.000 -2.728) 3.149 3.116 ( -1.950 0.000 -0.994) 2.189 3.144 ( 0.182 -0.000 -1.787) 1.797 3.151 ( 2.695 -0.000 2.444) 3.638 3.167 ( -0.327 0.000 0.940) 0.995 3.194 ( -6.986 0.000 -0.432) 6.999 3.249 ( -0.344 0.000 -2.773) 2.794 3.281 ( 0.537 -0.000 5.869) 5.894 3.362 ( -2.077 0.000 -1.112) 2.357 3.404 ( 1.229 -0.000 -1.583) 2.004 3.417 ( -3.900 0.000 -1.274) 4.103 3.486 ( -0.948 0.000 -0.512) 1.078 3.547 ( -2.719 0.000 1.606) 3.157 3.641 ( -0.306 0.000 1.143) 1.183 3.675 ( -0.454 0.000 -0.006) 0.454 3.804 ( -2.616 0.000 -1.680) 3.109 3.832 ( -0.102 0.000 -0.017) 0.104 3.848 ( 0.209 -0.000 0.061) 0.218 3.898 ( 0.764 -0.000 -2.566) 2.677 3.921 ( -1.291 0.000 0.032) 1.291 3.956 ( -1.782 0.000 0.088) 1.784 4.115 ( -3.208 0.000 -3.934) 5.076 4.141 ( -2.221 0.000 -3.065) 3.785 4.351 ( 0.086 -0.000 0.289) 0.302 4.356 ( 0.114 -0.000 0.300) 0.321 4.358 ( -0.215 0.000 -0.284) 0.357 4.442 ( -4.117 0.000 -0.222) 4.123 4.531 ( 0.210 -0.000 0.154) 0.260 4.552 ( -0.132 0.000 -0.163) 0.210 5.331 ( -0.257 0.000 -0.009) 0.258 ======================= Grid point 35 (24/117) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 8.727 -13.108 4.621) 16.412 0.583 ( 11.547 -12.162 4.002) 17.241 0.722 ( -8.794 -7.908 -4.117) 12.523 0.809 ( -9.370 -5.464 -4.003) 11.562 0.986 ( 12.514 -15.898 6.729) 21.322 0.994 ( -1.188 4.504 -0.731) 4.715 1.052 ( -0.942 -8.645 0.868) 8.740 1.101 ( 1.048 -3.495 -3.797) 5.266 1.132 ( -0.939 -1.346 1.522) 2.239 1.192 ( 2.521 -6.305 -0.132) 6.791 1.214 ( 1.606 -4.079 -0.144) 4.386 1.242 ( 2.625 -3.654 -1.538) 4.755 1.284 ( 0.207 -8.028 -1.077) 8.102 1.342 ( 3.736 -2.611 2.024) 4.987 1.353 ( 0.014 -7.595 -0.821) 7.640 1.382 ( -6.321 -7.323 1.789) 9.837 1.439 ( -3.831 -1.532 0.830) 4.209 1.458 ( -3.072 -6.162 -1.276) 7.002 1.493 ( -0.425 -9.860 0.465) 9.880 1.520 ( 0.095 -5.003 1.795) 5.316 1.569 ( 0.762 -1.790 0.286) 1.966 1.579 ( 1.340 -2.855 1.609) 3.541 1.662 ( -5.016 -4.287 -2.232) 6.965 1.702 ( -1.331 -8.501 -2.204) 8.883 1.748 ( 6.818 -4.198 -1.049) 8.075 1.832 ( -1.315 -2.517 0.328) 2.858 1.843 ( 2.075 -1.891 -2.809) 3.971 1.904 ( -4.441 0.103 3.045) 5.386 1.927 ( 0.679 -3.291 -3.692) 4.992 1.962 ( -1.444 -1.865 0.503) 2.412 1.980 ( -2.285 -4.526 2.568) 5.683 1.992 ( -1.730 -0.088 1.032) 2.017 2.053 ( -1.213 0.306 0.996) 1.599 2.098 ( -0.541 -7.152 -1.078) 7.253 2.139 ( -0.601 -2.054 -0.298) 2.161 2.188 ( 1.303 -1.314 -1.463) 2.359 2.216 ( -2.801 -0.798 1.756) 3.401 2.228 ( -0.437 -1.633 0.540) 1.775 2.273 ( -0.910 -2.347 1.091) 2.744 2.296 ( 0.786 -2.346 0.264) 2.489 2.310 ( -0.243 -0.818 0.984) 1.302 2.341 ( 0.449 -2.233 -2.991) 3.759 2.362 ( 0.030 -1.522 0.062) 1.524 2.388 ( -0.756 -1.748 -2.056) 2.802 2.452 ( 0.610 -0.415 1.561) 1.726 2.459 ( -0.030 -2.117 2.984) 3.659 2.482 ( -0.405 0.910 0.769) 1.258 2.563 ( -0.562 -1.252 1.552) 2.072 2.602 ( 1.947 0.152 2.007) 2.800 2.639 ( 1.132 -0.165 -3.042) 3.249 2.731 ( 4.189 1.664 -0.265) 4.515 2.754 ( 2.064 2.209 -0.374) 3.047 2.788 ( -2.715 -2.969 3.135) 5.100 2.882 ( -1.096 0.799 -2.115) 2.513 2.900 ( 0.021 2.531 -0.942) 2.700 2.929 ( -0.398 2.882 -1.961) 3.509 2.936 ( -1.114 -0.669 0.549) 1.411 2.977 ( -1.843 3.539 -1.368) 4.218 3.019 ( -0.264 -3.997 0.366) 4.022 3.119 ( -0.960 1.166 -0.580) 1.617 3.155 ( -2.951 1.852 2.743) 4.435 3.200 ( 0.170 -1.303 1.585) 2.059 3.238 ( -1.446 -1.363 -3.867) 4.348 3.251 ( -4.130 -1.249 -0.575) 4.353 3.276 ( 0.824 0.363 4.886) 4.968 3.354 ( -1.495 1.166 -3.634) 4.099 3.374 ( -0.012 1.762 2.098) 2.740 3.404 ( -0.099 0.088 -2.521) 2.525 3.467 ( -1.403 1.139 0.650) 1.920 3.515 ( -0.990 1.970 0.008) 2.205 3.641 ( -0.239 0.826 0.153) 0.874 3.666 ( -0.389 0.070 0.303) 0.498 3.752 ( -1.429 2.838 -0.667) 3.247 3.805 ( -1.141 2.174 0.270) 2.470 3.893 ( -0.825 -2.168 0.602) 2.397 3.904 ( 0.105 -0.039 0.150) 0.187 3.928 ( -1.079 -0.249 -1.900) 2.199 3.937 ( -0.913 0.884 0.305) 1.307 4.040 ( 1.532 3.000 -0.385) 3.390 4.093 ( -2.669 2.608 0.020) 3.732 4.322 ( 0.148 2.389 0.065) 2.395 4.350 ( -2.414 2.805 -0.512) 3.736 4.363 ( -0.134 0.871 0.046) 0.883 4.399 ( -0.436 -1.890 -0.236) 1.954 4.555 ( -0.020 0.031 -0.057) 0.068 4.567 ( -1.017 -0.298 -0.538) 1.188 5.323 ( -0.167 0.662 -0.001) 0.682 ======================= Grid point 36 (25/117) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 4.405 -13.065 2.987) 14.107 0.870 ( 3.857 -12.018 1.071) 12.667 0.882 ( -3.035 -6.255 -1.921) 7.213 0.935 ( -5.801 -7.631 -1.473) 9.698 0.993 ( 0.637 -8.404 0.659) 8.454 1.096 ( 0.538 -2.102 -0.292) 2.189 1.107 ( -1.410 -1.091 1.180) 2.138 1.141 ( -0.873 -4.915 -1.811) 5.310 1.271 ( 1.933 -2.412 1.656) 3.506 1.303 ( 2.652 -2.817 0.469) 3.897 1.335 ( 1.292 -2.533 -0.694) 2.927 1.374 ( -0.913 -4.353 1.977) 4.867 1.411 ( -1.998 -3.320 -3.966) 5.544 1.469 ( 0.943 -3.837 -1.219) 4.135 1.503 ( 1.512 -10.963 2.557) 11.358 1.519 ( 0.445 -3.647 -1.334) 3.909 1.538 ( -2.838 -3.092 1.446) 4.439 1.586 ( 1.384 -6.884 1.464) 7.172 1.607 ( -0.266 -8.841 -0.794) 8.881 1.654 ( 2.323 -8.414 0.947) 8.780 1.671 ( -1.018 -3.633 -0.155) 3.777 1.754 ( 0.220 -14.569 0.296) 14.573 1.767 ( -0.786 -1.634 0.103) 1.816 1.809 ( -0.489 -3.766 2.466) 4.529 1.828 ( 0.024 -1.659 -2.900) 3.341 1.906 ( 2.867 -5.256 -0.493) 6.008 1.923 ( 1.103 -3.774 0.825) 4.017 1.957 ( -1.895 -4.896 1.492) 5.458 1.971 ( 0.629 -1.410 -3.733) 4.040 1.994 ( -3.501 -2.746 1.923) 4.847 2.031 ( -1.510 -2.019 -0.690) 2.614 2.046 ( -0.073 -3.870 -0.715) 3.936 2.075 ( -1.698 -4.346 1.777) 4.993 2.148 ( -1.486 -1.397 0.145) 2.044 2.216 ( 0.563 -1.748 -1.676) 2.486 2.228 ( -1.550 -4.078 1.280) 4.547 2.265 ( 0.446 -2.431 -0.889) 2.627 2.281 ( -0.083 -0.397 -0.613) 0.736 2.296 ( -1.067 -2.741 1.758) 3.427 2.322 ( 1.102 0.973 0.818) 1.683 2.350 ( 0.581 -1.830 0.561) 2.000 2.371 ( -1.041 -4.293 -1.035) 4.537 2.419 ( -1.286 -3.689 -1.585) 4.216 2.452 ( -0.270 -5.440 -0.946) 5.529 2.459 ( -1.017 0.983 0.261) 1.438 2.475 ( 0.180 -6.852 0.116) 6.855 2.553 ( -0.318 -0.819 0.675) 1.108 2.623 ( 0.513 -1.468 7.018) 7.188 2.630 ( 1.284 -2.773 -2.922) 4.228 2.662 ( -1.302 -2.359 -1.962) 3.333 2.705 ( 1.758 -1.079 -0.463) 2.114 2.719 ( 0.464 1.774 1.295) 2.245 2.799 ( -3.820 3.340 -2.117) 5.498 2.842 ( -1.482 3.431 -0.924) 3.850 2.868 ( 0.996 -1.224 2.236) 2.737 2.901 ( -0.342 -2.265 -2.949) 3.734 2.924 ( -0.142 -0.102 0.018) 0.175 2.949 ( -0.216 -0.091 0.567) 0.613 3.058 ( 1.182 1.635 -0.579) 2.099 3.133 ( -2.416 -1.181 0.819) 2.812 3.149 ( 2.188 -3.743 1.132) 4.480 3.199 ( 1.794 1.523 3.070) 3.869 3.244 ( -0.747 1.192 1.284) 1.905 3.265 ( -2.522 -2.166 -1.494) 3.645 3.298 ( -2.642 -2.470 -1.106) 3.782 3.321 ( -0.137 0.137 -1.929) 1.939 3.352 ( 1.994 1.461 -1.185) 2.741 3.388 ( -2.052 1.062 -0.903) 2.481 3.452 ( -0.780 -0.233 3.038) 3.146 3.475 ( -0.652 1.058 -1.285) 1.788 3.613 ( -0.925 0.888 -0.199) 1.297 3.668 ( -0.058 -0.213 0.214) 0.307 3.698 ( -0.192 2.082 -0.058) 2.091 3.759 ( -1.047 1.586 -0.060) 1.901 3.889 ( -0.778 0.650 0.015) 1.014 3.911 ( -0.502 0.810 0.620) 1.137 3.915 ( -0.100 0.851 0.212) 0.882 3.926 ( -0.426 0.634 -0.783) 1.094 3.997 ( 2.395 2.142 -0.684) 3.286 4.033 ( -2.895 2.138 0.285) 3.610 4.281 ( 0.184 1.524 -0.289) 1.563 4.291 ( -1.117 1.394 0.091) 1.789 4.353 ( 0.037 0.990 0.022) 0.991 4.418 ( -0.029 0.146 0.033) 0.152 4.536 ( 0.070 2.397 -0.044) 2.399 4.542 ( -0.400 1.897 -0.133) 1.944 5.306 ( -0.061 0.811 0.003) 0.813 ======================= Grid point 37 (26/117) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -0.013 -2.281 0.135) 2.285 1.061 ( 0.754 -7.881 0.562) 7.937 1.062 ( 0.973 -6.667 1.141) 6.833 1.105 ( -1.370 -5.853 -0.144) 6.013 1.124 ( -0.779 -3.969 -1.369) 4.270 1.170 ( -0.093 -2.921 -0.047) 2.923 1.221 ( 1.262 -10.139 1.079) 10.274 1.236 ( -0.311 -2.744 -0.258) 2.774 1.350 ( 2.318 -2.812 -1.610) 3.984 1.362 ( 0.239 -6.196 0.781) 6.250 1.392 ( -1.856 -5.665 0.639) 5.996 1.460 ( 0.179 -3.045 1.561) 3.426 1.472 ( -0.019 -3.304 -1.726) 3.728 1.504 ( 0.150 -0.671 -0.287) 0.745 1.582 ( -0.933 2.778 0.032) 2.930 1.590 ( -0.593 -6.044 -0.580) 6.101 1.609 ( -0.799 -1.470 -0.144) 1.679 1.671 ( 0.933 -1.663 -0.118) 1.910 1.698 ( -0.532 -2.344 1.321) 2.743 1.721 ( -1.717 -3.037 -0.254) 3.498 1.772 ( -0.433 -4.181 -0.036) 4.204 1.805 ( -0.295 -2.652 -0.069) 2.669 1.833 ( 0.925 0.731 -0.198) 1.196 1.887 ( 0.937 -0.001 1.002) 1.372 1.919 ( -1.320 -4.841 -1.413) 5.212 1.962 ( -0.022 -0.239 0.227) 0.330 1.972 ( 0.757 -0.908 -1.612) 1.999 1.979 ( -1.112 0.671 1.462) 1.956 2.042 ( -0.304 -3.074 0.173) 3.093 2.071 ( -0.053 -4.212 0.211) 4.218 2.121 ( 0.767 -0.405 0.125) 0.876 2.153 ( 0.019 -1.991 0.308) 2.015 2.167 ( 1.534 -3.035 0.428) 3.427 2.198 ( 2.563 1.188 -1.187) 3.064 2.217 ( -0.368 -6.415 0.363) 6.435 2.244 ( 0.807 1.735 1.707) 2.564 2.270 ( -2.312 0.933 0.042) 2.494 2.323 ( -1.903 -1.265 -0.555) 2.351 2.344 ( 3.143 -3.331 0.210) 4.584 2.370 ( -2.002 -4.165 -1.584) 4.885 2.393 ( -1.258 -4.054 -0.542) 4.279 2.453 ( 1.648 -3.524 1.089) 4.040 2.464 ( -0.176 1.087 0.615) 1.261 2.481 ( -2.113 -4.035 0.342) 4.568 2.553 ( -0.020 -1.596 -0.665) 1.729 2.568 ( -0.309 3.679 -0.243) 3.700 2.593 ( -0.455 -2.872 0.144) 2.911 2.637 ( -0.962 -2.137 -0.692) 2.443 2.681 ( -0.198 -1.619 0.885) 1.856 2.699 ( 0.253 -8.249 -0.319) 8.259 2.719 ( -0.853 -3.704 0.278) 3.811 2.777 ( -0.005 -1.123 0.010) 1.123 2.782 ( 0.572 -0.033 -0.186) 0.603 2.803 ( -0.972 1.708 -0.725) 2.095 2.876 ( -0.251 -7.293 0.293) 7.303 2.888 ( -0.233 2.220 -0.228) 2.244 2.921 ( 0.481 -0.227 -0.245) 0.585 3.033 ( 0.468 -3.084 0.314) 3.135 3.105 ( 0.651 -5.669 0.403) 5.720 3.157 ( 0.002 1.225 -0.486) 1.318 3.165 ( -0.450 -2.527 0.533) 2.622 3.200 ( 0.074 -2.137 1.546) 2.638 3.278 ( -0.122 -2.453 -2.138) 3.257 3.291 ( -0.439 -0.602 1.922) 2.061 3.302 ( 0.110 1.247 0.224) 1.272 3.309 ( -0.126 -1.210 -2.084) 2.413 3.389 ( 0.475 -4.002 -0.202) 4.035 3.417 ( -1.076 -5.252 0.081) 5.362 3.456 ( 0.017 0.633 0.693) 0.939 3.489 ( -0.207 -2.598 -0.077) 2.607 3.612 ( -0.458 -0.977 -0.049) 1.080 3.655 ( -0.128 1.365 -0.073) 1.373 3.697 ( -0.059 -2.093 0.109) 2.097 3.745 ( -0.520 -0.563 -0.088) 0.771 3.858 ( -0.005 3.563 -0.106) 3.565 3.879 ( -0.134 1.387 0.123) 1.399 3.886 ( -0.155 0.589 -0.101) 0.617 3.915 ( -0.157 0.818 0.146) 0.845 3.961 ( 0.500 1.496 -0.296) 1.605 4.000 ( -0.637 0.787 0.110) 1.018 4.252 ( -0.071 1.668 -0.157) 1.677 4.283 ( -0.106 -0.356 0.135) 0.395 4.318 ( 0.010 2.322 -0.020) 2.322 4.392 ( -0.047 2.377 0.057) 2.378 4.458 ( -0.146 4.945 -0.137) 4.949 4.489 ( 0.051 3.313 0.052) 3.313 5.291 ( -0.015 0.615 0.001) 0.615 ======================= Grid point 38 (27/117) ======================= q-point: ( 0.70 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -0.000 -1.803 -0.000) 1.803 1.140 ( -0.000 -0.074 -0.000) 0.074 1.149 ( -0.000 -2.516 -0.000) 2.516 1.189 ( -0.000 -5.165 -0.000) 5.165 1.221 ( -0.000 -2.556 -0.000) 2.556 1.227 ( -0.000 -3.006 -0.000) 3.006 1.265 ( -0.000 -2.154 -0.000) 2.154 1.390 ( -0.000 -5.043 -0.000) 5.043 1.401 ( 0.000 2.839 0.000) 2.839 1.431 ( 0.000 1.347 0.000) 1.347 1.469 ( -0.000 -0.385 -0.000) 0.385 1.488 ( -0.000 -2.691 -0.000) 2.691 1.523 ( -0.000 -1.967 -0.000) 1.967 1.523 ( -0.000 -2.596 -0.000) 2.596 1.565 ( -0.000 -3.830 -0.000) 3.830 1.662 ( -0.000 -1.207 -0.000) 1.207 1.687 ( -0.000 -1.372 -0.000) 1.372 1.724 ( -0.000 -1.929 -0.000) 1.929 1.754 ( -0.000 -6.304 -0.000) 6.304 1.802 ( -0.000 -1.045 -0.000) 1.045 1.813 ( -0.000 -5.140 -0.000) 5.140 1.829 ( -0.000 -2.486 -0.000) 2.486 1.887 ( -0.000 -2.977 -0.000) 2.977 1.900 ( -0.000 -1.555 -0.000) 1.555 1.954 ( -0.000 -1.003 -0.000) 1.003 1.965 ( 0.000 0.012 0.000) 0.012 1.974 ( -0.000 -0.938 -0.000) 0.938 2.025 ( -0.000 -2.556 -0.000) 2.556 2.047 ( 0.000 0.008 0.000) 0.008 2.088 ( 0.000 2.407 0.000) 2.407 2.094 ( 0.000 1.665 0.000) 1.665 2.110 ( 0.000 3.775 0.000) 3.775 2.181 ( 0.000 0.859 0.000) 0.859 2.197 ( 0.000 0.770 0.000) 0.770 2.223 ( 0.000 3.727 0.000) 3.727 2.237 ( -0.000 -2.164 -0.000) 2.164 2.274 ( 0.000 2.659 0.000) 2.659 2.290 ( 0.000 0.328 0.000) 0.328 2.362 ( 0.000 2.932 0.000) 2.932 2.403 ( -0.000 -0.976 -0.000) 0.976 2.434 ( 0.000 2.613 0.000) 2.613 2.452 ( 0.000 0.513 0.000) 0.513 2.514 ( 0.000 1.276 0.000) 1.276 2.524 ( -0.000 -5.338 -0.000) 5.338 2.557 ( 0.000 8.177 0.000) 8.177 2.576 ( -0.000 -3.448 -0.000) 3.448 2.586 ( -0.000 -3.576 -0.000) 3.576 2.662 ( -0.000 -0.475 -0.000) 0.475 2.689 ( 0.000 0.296 0.000) 0.296 2.742 ( -0.000 -1.271 -0.000) 1.271 2.761 ( -0.000 -1.003 -0.000) 1.003 2.790 ( -0.000 -0.780 -0.000) 0.780 2.857 ( -0.000 -3.467 -0.000) 3.467 2.914 ( -0.000 -2.775 -0.000) 2.775 2.921 ( -0.000 -4.880 -0.000) 4.880 2.956 ( -0.000 -5.162 -0.000) 5.162 2.990 ( -0.000 -1.470 -0.000) 1.470 3.073 ( -0.000 -3.843 -0.000) 3.843 3.112 ( 0.000 0.718 0.000) 0.718 3.232 ( -0.000 -2.194 -0.000) 2.194 3.265 ( -0.000 -4.252 -0.000) 4.252 3.265 ( -0.000 -3.162 -0.000) 3.162 3.298 ( -0.000 -1.365 -0.000) 1.365 3.302 ( -0.000 -4.633 -0.000) 4.633 3.344 ( -0.000 -4.816 -0.000) 4.816 3.390 ( -0.000 -3.729 -0.000) 3.729 3.427 ( 0.000 0.970 0.000) 0.970 3.480 ( -0.000 -3.193 -0.000) 3.193 3.504 ( -0.000 -1.290 -0.000) 1.290 3.556 ( -0.000 -4.879 -0.000) 4.879 3.643 ( 0.000 0.150 0.000) 0.150 3.650 ( -0.000 -2.865 -0.000) 2.865 3.721 ( 0.000 2.137 0.000) 2.137 3.754 ( 0.000 1.470 0.000) 1.470 3.808 ( -0.000 -0.616 -0.000) 0.616 3.854 ( 0.000 0.178 0.000) 0.178 3.884 ( -0.000 -0.741 -0.000) 0.741 3.904 ( -0.000 -0.145 -0.000) 0.145 3.944 ( 0.000 0.530 0.000) 0.530 3.986 ( 0.000 0.132 0.000) 0.132 4.210 ( 0.000 2.164 0.000) 2.164 4.254 ( 0.000 2.990 0.000) 2.990 4.299 ( 0.000 0.567 0.000) 0.567 4.328 ( 0.000 3.456 0.000) 3.456 4.351 ( 0.000 3.959 0.000) 3.959 4.418 ( 0.000 3.237 0.000) 3.237 5.282 ( 0.000 0.305 0.000) 0.305 ======================= Grid point 46 (28/117) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( 13.138 -0.000 7.056) 14.913 0.489 ( 16.806 -0.000 6.424) 17.992 0.595 ( -11.367 0.000 -6.111) 12.906 0.710 ( -14.341 0.000 -4.545) 15.044 0.811 ( 25.275 -0.000 7.622) 26.399 0.973 ( 1.819 -0.000 1.832) 2.582 0.979 ( 0.225 -0.000 -0.033) 0.228 1.091 ( -0.300 0.000 1.219) 1.255 1.100 ( -0.742 0.000 -1.502) 1.675 1.127 ( -3.301 0.000 -5.533) 6.443 1.137 ( 1.615 -0.000 -2.489) 2.967 1.181 ( -5.302 0.000 1.950) 5.650 1.188 ( -0.021 0.000 0.437) 0.438 1.234 ( -7.936 0.000 -2.581) 8.345 1.316 ( 1.789 -0.000 0.694) 1.919 1.335 ( 3.279 -0.000 0.990) 3.425 1.390 ( 0.217 -0.000 0.454) 0.503 1.415 ( -5.555 0.000 1.749) 5.824 1.429 ( 0.419 -0.000 3.086) 3.115 1.440 ( -1.681 0.000 -3.133) 3.556 1.496 ( 0.443 -0.000 -0.106) 0.456 1.516 ( 0.113 -0.000 0.197) 0.227 1.575 ( 0.174 -0.000 0.727) 0.747 1.659 ( -0.243 0.000 -1.627) 1.645 1.725 ( 5.534 -0.000 -1.356) 5.697 1.826 ( -0.727 0.000 1.383) 1.563 1.863 ( 3.757 -0.000 -2.773) 4.670 1.870 ( 1.543 -0.000 -0.176) 1.553 1.895 ( 0.865 -0.000 -1.328) 1.585 1.920 ( -0.202 0.000 0.001) 0.202 1.922 ( 0.589 -0.000 0.940) 1.109 1.958 ( -5.529 0.000 3.709) 6.658 2.021 ( -2.130 0.000 1.947) 2.886 2.041 ( -1.050 0.000 -0.700) 1.262 2.132 ( 0.553 -0.000 2.140) 2.211 2.188 ( -1.962 0.000 0.230) 1.976 2.192 ( 0.756 -0.000 -3.125) 3.215 2.211 ( -2.100 0.000 -0.433) 2.144 2.215 ( 3.448 -0.000 2.405) 4.204 2.266 ( -2.076 0.000 -4.028) 4.532 2.290 ( 0.271 -0.000 1.786) 1.807 2.306 ( 0.214 -0.000 -0.390) 0.445 2.360 ( -1.045 0.000 1.049) 1.481 2.391 ( 0.381 -0.000 0.701) 0.798 2.393 ( 1.086 -0.000 0.726) 1.307 2.466 ( 0.087 -0.000 0.580) 0.586 2.544 ( 0.997 -0.000 5.475) 5.565 2.583 ( -0.728 0.000 0.593) 0.939 2.585 ( -0.194 0.000 -2.483) 2.490 2.642 ( 0.497 -0.000 -0.434) 0.660 2.735 ( 1.624 -0.000 1.259) 2.055 2.755 ( 1.457 -0.000 -1.491) 2.084 2.833 ( 2.819 -0.000 -0.789) 2.928 2.853 ( -0.789 0.000 -0.429) 0.898 2.892 ( 0.250 -0.000 -1.036) 1.066 2.931 ( -0.232 0.000 0.346) 0.417 2.952 ( -3.002 0.000 -0.499) 3.043 2.986 ( -0.247 0.000 1.149) 1.175 3.093 ( -4.069 0.000 -4.513) 6.076 3.142 ( 0.176 -0.000 -0.979) 0.995 3.152 ( -4.351 0.000 0.382) 4.368 3.167 ( -0.250 0.000 0.475) 0.537 3.177 ( 1.609 -0.000 5.097) 5.345 3.233 ( -2.022 0.000 -5.437) 5.801 3.304 ( 1.898 -0.000 6.829) 7.088 3.352 ( 0.182 -0.000 -2.300) 2.307 3.390 ( -4.107 0.000 -1.103) 4.253 3.410 ( 1.362 -0.000 -1.002) 1.691 3.480 ( -0.809 0.000 -0.141) 0.821 3.534 ( -2.248 0.000 0.677) 2.348 3.645 ( 1.135 -0.000 1.022) 1.527 3.669 ( -1.303 0.000 -0.470) 1.386 3.787 ( -1.743 0.000 -1.136) 2.080 3.832 ( -0.054 0.000 -0.009) 0.054 3.849 ( 0.120 -0.000 0.036) 0.125 3.898 ( 0.729 -0.000 -1.324) 1.512 3.914 ( -1.246 0.000 0.124) 1.252 3.948 ( -1.112 0.000 0.008) 1.112 4.092 ( -2.108 0.000 -2.249) 3.082 4.126 ( -1.411 0.000 -0.971) 1.713 4.352 ( 0.134 -0.000 0.338) 0.363 4.356 ( -0.214 0.000 -0.335) 0.397 4.357 ( 0.086 -0.000 0.197) 0.215 4.421 ( -2.449 0.000 -0.277) 2.465 4.533 ( 0.143 -0.000 0.108) 0.179 4.551 ( -0.095 0.000 -0.114) 0.148 5.329 ( -0.160 0.000 -0.006) 0.160 ======================= Grid point 47 (29/117) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 7.851 -11.321 4.077) 14.368 0.646 ( 0.753 -9.386 -0.632) 9.437 0.676 ( 2.879 -9.512 0.594) 9.956 0.740 ( -10.788 -7.147 -3.850) 13.501 0.989 ( -0.188 3.948 -0.422) 3.975 1.038 ( 0.212 -3.954 2.978) 4.954 1.064 ( 4.107 -5.949 0.697) 7.263 1.100 ( 0.765 -8.463 -1.944) 8.717 1.138 ( 1.688 -3.544 1.238) 4.116 1.202 ( 0.838 -9.358 -0.061) 9.395 1.220 ( 0.581 -5.100 -0.092) 5.133 1.252 ( 1.344 -3.131 -0.680) 3.474 1.292 ( 3.467 -10.978 -0.571) 11.526 1.335 ( -7.647 -11.049 -0.031) 13.437 1.353 ( -0.258 -5.050 -0.197) 5.061 1.369 ( 3.097 -1.768 1.493) 3.866 1.413 ( -3.865 -1.510 -0.542) 4.185 1.444 ( -1.166 -6.733 -0.139) 6.834 1.494 ( 0.126 -10.883 0.180) 10.885 1.523 ( -0.016 -4.623 0.574) 4.659 1.572 ( 0.171 -0.758 0.170) 0.796 1.596 ( 2.730 -4.728 1.812) 5.753 1.625 ( -4.453 -0.982 -2.560) 5.229 1.696 ( -0.216 -9.878 -0.384) 9.888 1.787 ( 6.326 -2.627 -1.531) 7.019 1.818 ( -3.900 -3.790 1.542) 5.653 1.852 ( 2.122 -1.687 -2.058) 3.404 1.886 ( -2.952 1.147 1.964) 3.727 1.926 ( 0.563 -2.791 -1.735) 3.335 1.954 ( -1.306 -1.327 0.769) 2.014 1.977 ( -0.262 -5.850 1.250) 5.988 1.986 ( -0.641 0.423 -0.072) 0.771 2.050 ( -0.430 1.041 0.550) 1.253 2.093 ( -0.308 -8.525 -0.707) 8.560 2.137 ( -0.086 -1.194 0.184) 1.211 2.191 ( 0.526 -2.598 -0.792) 2.767 2.206 ( -1.261 0.428 0.876) 1.594 2.227 ( -0.047 -2.118 0.033) 2.118 2.273 ( -0.113 -1.745 0.699) 1.883 2.296 ( -0.006 -1.500 -0.722) 1.665 2.314 ( 0.333 -2.327 1.316) 2.694 2.338 ( 0.062 -2.007 -1.246) 2.363 2.363 ( 0.250 -2.122 0.258) 2.152 2.378 ( -0.843 -0.123 -1.225) 1.492 2.458 ( 0.314 -3.077 0.595) 3.149 2.465 ( 0.399 -1.484 1.579) 2.203 2.478 ( -0.730 3.324 -0.475) 3.437 2.564 ( -0.264 -1.865 1.233) 2.252 2.614 ( 0.700 -0.008 1.062) 1.272 2.639 ( 0.468 0.046 -1.874) 1.932 2.750 ( 1.596 3.617 -0.226) 3.960 2.763 ( 1.996 0.008 -1.271) 2.367 2.779 ( -2.256 -2.201 2.301) 3.902 2.872 ( -0.798 1.670 -0.759) 2.001 2.906 ( 1.590 2.121 0.861) 2.788 2.920 ( -1.174 0.647 -1.430) 1.960 2.938 ( 0.697 3.961 0.926) 4.127 2.961 ( -1.722 1.465 -2.091) 3.079 3.023 ( 0.661 -4.791 0.884) 4.917 3.101 ( -2.563 0.103 -0.861) 2.706 3.158 ( 0.645 2.572 2.170) 3.426 3.204 ( 0.062 -2.125 1.208) 2.445 3.222 ( -0.548 -1.399 -2.898) 3.264 3.228 ( -2.686 -1.464 -0.687) 3.135 3.295 ( 1.245 1.725 3.992) 4.524 3.339 ( -0.881 1.383 -3.153) 3.553 3.376 ( -0.501 0.411 1.307) 1.459 3.403 ( 0.712 0.717 -1.401) 1.727 3.462 ( -0.689 1.040 0.384) 1.305 3.509 ( -0.765 1.791 -0.109) 1.950 3.641 ( 0.127 1.523 0.065) 1.529 3.665 ( -0.290 -0.443 0.090) 0.537 3.745 ( -0.512 2.519 -0.234) 2.581 3.801 ( -0.420 2.352 0.102) 2.392 3.890 ( -0.283 -1.992 0.007) 2.012 3.906 ( 0.126 0.408 0.845) 0.947 3.919 ( -0.599 -0.634 -1.270) 1.540 3.934 ( -0.280 0.593 0.105) 0.664 4.046 ( 0.608 2.158 -0.250) 2.256 4.081 ( -1.156 3.102 0.067) 3.311 4.323 ( 0.075 2.382 -0.003) 2.383 4.339 ( -0.961 3.183 -0.146) 3.328 4.362 ( 0.000 0.492 0.018) 0.492 4.397 ( -0.184 -2.163 -0.103) 2.173 4.555 ( 0.032 -0.032 -0.009) 0.046 4.562 ( -0.405 -0.382 -0.202) 0.592 5.322 ( -0.064 0.642 -0.000) 0.645 ======================= Grid point 48 (30/117) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -0.000 -12.463 -0.000) 12.463 0.859 ( -0.000 -8.890 -0.000) 8.890 0.893 ( -0.000 -10.181 -0.000) 10.181 0.907 ( -0.000 -7.687 -0.000) 7.687 0.996 ( -0.000 -8.488 -0.000) 8.488 1.098 ( -0.000 -1.005 -0.000) 1.005 1.103 ( -0.000 -1.695 -0.000) 1.695 1.136 ( -0.000 -5.389 -0.000) 5.389 1.279 ( -0.000 -2.416 -0.000) 2.416 1.312 ( -0.000 -1.889 -0.000) 1.889 1.339 ( -0.000 -2.497 -0.000) 2.497 1.374 ( -0.000 -5.930 -0.000) 5.930 1.399 ( -0.000 -2.080 -0.000) 2.080 1.469 ( -0.000 -4.489 -0.000) 4.489 1.512 ( -0.000 -13.367 -0.000) 13.367 1.523 ( 0.000 0.683 0.000) 0.683 1.526 ( -0.000 -3.135 -0.000) 3.135 1.593 ( -0.000 -5.627 -0.000) 5.627 1.604 ( -0.000 -9.417 -0.000) 9.417 1.665 ( -0.000 -3.275 -0.000) 3.275 1.666 ( -0.000 -7.908 -0.000) 7.908 1.754 ( -0.000 -17.159 -0.000) 17.159 1.765 ( -0.000 -1.766 -0.000) 1.766 1.811 ( -0.000 -6.217 -0.000) 6.217 1.823 ( 0.000 1.481 0.000) 1.481 1.917 ( -0.000 -5.112 -0.000) 5.112 1.926 ( -0.000 -2.813 -0.000) 2.813 1.951 ( -0.000 -9.238 -0.000) 9.238 1.969 ( -0.000 -0.565 -0.000) 0.565 1.985 ( -0.000 -1.477 -0.000) 1.477 2.026 ( -0.000 -1.601 -0.000) 1.601 2.046 ( -0.000 -3.722 -0.000) 3.722 2.071 ( -0.000 -5.386 -0.000) 5.386 2.145 ( -0.000 -1.134 -0.000) 1.134 2.214 ( -0.000 -1.515 -0.000) 1.515 2.226 ( -0.000 -4.357 -0.000) 4.357 2.266 ( -0.000 -2.761 -0.000) 2.761 2.282 ( 0.000 1.285 0.000) 1.285 2.292 ( -0.000 -3.393 -0.000) 3.393 2.328 ( 0.000 1.248 0.000) 1.248 2.353 ( 0.000 0.705 0.000) 0.705 2.366 ( -0.000 -7.241 -0.000) 7.241 2.413 ( -0.000 -3.877 -0.000) 3.877 2.450 ( -0.000 -5.345 -0.000) 5.345 2.456 ( 0.000 0.956 0.000) 0.956 2.476 ( -0.000 -6.930 -0.000) 6.930 2.553 ( -0.000 -0.128 -0.000) 0.128 2.629 ( -0.000 -2.569 -0.000) 2.569 2.638 ( -0.000 -2.494 -0.000) 2.494 2.652 ( -0.000 -0.993 -0.000) 0.993 2.707 ( -0.000 -3.251 -0.000) 3.251 2.726 ( 0.000 4.476 0.000) 4.476 2.783 ( 0.000 2.700 0.000) 2.700 2.836 ( 0.000 3.255 0.000) 3.255 2.875 ( -0.000 -1.499 -0.000) 1.499 2.894 ( -0.000 -1.544 -0.000) 1.544 2.924 ( -0.000 -0.269 -0.000) 0.269 2.949 ( -0.000 -0.702 -0.000) 0.702 3.061 ( 0.000 2.041 0.000) 2.041 3.126 ( -0.000 -1.697 -0.000) 1.697 3.159 ( -0.000 -3.684 -0.000) 3.684 3.210 ( 0.000 1.510 0.000) 1.510 3.242 ( 0.000 1.811 0.000) 1.811 3.254 ( -0.000 -2.609 -0.000) 2.609 3.287 ( -0.000 -3.023 -0.000) 3.023 3.319 ( 0.000 0.242 0.000) 0.242 3.360 ( 0.000 0.896 0.000) 0.896 3.378 ( 0.000 1.761 0.000) 1.761 3.453 ( -0.000 -0.577 -0.000) 0.577 3.472 ( 0.000 1.163 0.000) 1.163 3.610 ( 0.000 0.930 0.000) 0.930 3.668 ( -0.000 -0.161 -0.000) 0.161 3.697 ( 0.000 2.002 0.000) 2.002 3.756 ( 0.000 1.597 0.000) 1.597 3.886 ( 0.000 0.618 0.000) 0.618 3.910 ( 0.000 0.546 0.000) 0.546 3.915 ( 0.000 1.322 0.000) 1.322 3.924 ( 0.000 0.354 0.000) 0.354 4.006 ( 0.000 2.336 0.000) 2.336 4.022 ( 0.000 1.902 0.000) 1.902 4.282 ( 0.000 1.555 0.000) 1.555 4.288 ( 0.000 1.230 0.000) 1.230 4.353 ( 0.000 0.983 0.000) 0.983 4.418 ( 0.000 0.141 0.000) 0.141 4.536 ( 0.000 2.648 0.000) 2.648 4.540 ( 0.000 1.599 0.000) 1.599 5.306 ( 0.000 0.804 0.000) 0.804 ======================= Grid point 59 (31/117) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( -0.000 0.000 -0.000) 0.000 0.531 ( 0.000 -0.000 0.000) 0.000 0.578 ( -0.000 0.000 -0.000) 0.000 0.630 ( 0.000 -0.000 0.000) 0.000 0.906 ( -0.000 0.000 -0.000) 0.000 0.980 ( 0.000 -0.000 0.000) 0.000 1.021 ( -0.000 0.000 -0.000) 0.000 1.042 ( 0.000 -0.000 0.000) 0.000 1.091 ( 0.000 -0.000 0.000) 0.000 1.106 ( 0.000 -0.000 0.000) 0.000 1.139 ( 0.000 -0.000 -0.000) 0.000 1.168 ( -0.000 0.000 -0.000) 0.000 1.189 ( -0.000 0.000 0.000) 0.000 1.211 ( 0.000 -0.000 0.000) 0.000 1.322 ( 0.000 -0.000 0.000) 0.000 1.352 ( 0.000 -0.000 0.000) 0.000 1.391 ( 0.000 -0.000 -0.000) 0.000 1.394 ( -0.000 0.000 -0.000) 0.000 1.430 ( 0.000 -0.000 -0.000) 0.000 1.436 ( 0.000 -0.000 0.000) 0.000 1.498 ( 0.000 -0.000 -0.000) 0.000 1.517 ( -0.000 0.000 0.000) 0.000 1.576 ( 0.000 -0.000 0.000) 0.000 1.656 ( -0.000 0.000 -0.000) 0.000 1.743 ( 0.000 -0.000 -0.000) 0.000 1.822 ( 0.000 -0.000 0.000) 0.000 1.873 ( 0.000 -0.000 -0.000) 0.000 1.874 ( -0.000 0.000 0.000) 0.000 1.896 ( 0.000 -0.000 0.000) 0.000 1.925 ( -0.000 0.000 0.000) 0.000 1.927 ( 0.000 -0.000 0.000) 0.000 1.939 ( 0.000 -0.000 -0.000) 0.000 2.017 ( 0.000 -0.000 -0.000) 0.000 2.036 ( 0.000 -0.000 -0.000) 0.000 2.137 ( -0.000 0.000 -0.000) 0.000 2.182 ( 0.000 -0.000 0.000) 0.000 2.190 ( -0.000 0.000 0.000) 0.000 2.204 ( 0.000 -0.000 0.000) 0.000 2.237 ( 0.000 -0.000 0.000) 0.000 2.247 ( 0.000 -0.000 -0.000) 0.000 2.293 ( -0.000 0.000 0.000) 0.000 2.306 ( 0.000 -0.000 -0.000) 0.000 2.358 ( 0.000 -0.000 0.000) 0.000 2.393 ( 0.000 -0.000 -0.000) 0.000 2.396 ( 0.000 -0.000 -0.000) 0.000 2.467 ( 0.000 -0.000 -0.000) 0.000 2.556 ( 0.000 -0.000 0.000) 0.000 2.578 ( 0.000 -0.000 0.000) 0.000 2.581 ( 0.000 -0.000 0.000) 0.000 2.643 ( 0.000 -0.000 -0.000) 0.000 2.741 ( 0.000 -0.000 0.000) 0.000 2.758 ( 0.000 -0.000 -0.000) 0.000 2.840 ( 0.000 -0.000 0.000) 0.000 2.851 ( 0.000 -0.000 -0.000) 0.000 2.895 ( 0.000 -0.000 0.000) 0.000 2.931 ( 0.000 -0.000 -0.000) 0.000 2.943 ( 0.000 -0.000 0.000) 0.000 2.991 ( 0.000 -0.000 0.000) 0.000 3.068 ( -0.000 0.000 -0.000) 0.000 3.140 ( 0.000 -0.000 0.000) 0.000 3.142 ( 0.000 -0.000 0.000) 0.000 3.167 ( 0.000 -0.000 -0.000) 0.000 3.194 ( 0.000 -0.000 0.000) 0.000 3.213 ( -0.000 0.000 -0.000) 0.000 3.320 ( 0.000 -0.000 -0.000) 0.000 3.353 ( 0.000 -0.000 0.000) 0.000 3.371 ( 0.000 -0.000 -0.000) 0.000 3.414 ( 0.000 -0.000 -0.000) 0.000 3.477 ( 0.000 -0.000 -0.000) 0.000 3.527 ( 0.000 -0.000 0.000) 0.000 3.654 ( 0.000 -0.000 0.000) 0.000 3.660 ( 0.000 -0.000 -0.000) 0.000 3.781 ( 0.000 -0.000 0.000) 0.000 3.831 ( 0.000 -0.000 0.000) 0.000 3.850 ( 0.000 -0.000 0.000) 0.000 3.899 ( 0.000 -0.000 -0.000) 0.000 3.909 ( -0.000 0.000 0.000) 0.000 3.944 ( 0.000 -0.000 0.000) 0.000 4.083 ( 0.000 -0.000 0.000) 0.000 4.121 ( 0.000 -0.000 -0.000) 0.000 4.354 ( -0.000 0.000 -0.000) 0.000 4.354 ( 0.000 -0.000 0.000) 0.000 4.358 ( 0.000 -0.000 -0.000) 0.000 4.414 ( 0.000 -0.000 0.000) 0.000 4.533 ( 0.000 -0.000 0.000) 0.000 4.550 ( 0.000 -0.000 0.000) 0.000 5.329 ( -0.000 0.000 -0.000) 0.000 ======================= Grid point 107 (32/117) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.337 ( 3.236 -0.000 16.069) 16.392 0.345 ( 3.686 -0.000 16.381) 16.791 0.603 ( 0.022 -0.000 26.852) 26.852 0.848 ( -7.969 0.000 2.097) 8.240 0.920 ( 4.565 -0.000 -1.643) 4.852 0.934 ( -1.650 0.000 -5.803) 6.033 0.973 ( -8.596 0.000 -4.702) 9.798 0.982 ( 3.446 -0.000 -4.630) 5.772 1.011 ( 0.642 -0.000 -3.534) 3.592 1.120 ( -1.416 0.000 -1.055) 1.766 1.140 ( -1.855 0.000 2.327) 2.975 1.223 ( 2.000 -0.000 5.305) 5.670 1.227 ( -0.189 0.000 -0.890) 0.910 1.247 ( 0.209 -0.000 -0.393) 0.445 1.248 ( 0.250 -0.000 -3.024) 3.035 1.379 ( 6.218 -0.000 1.894) 6.500 1.396 ( 1.844 -0.000 0.511) 1.913 1.445 ( -1.876 0.000 -2.957) 3.502 1.445 ( 0.199 -0.000 -2.661) 2.669 1.520 ( -0.783 0.000 1.015) 1.282 1.520 ( 0.445 -0.000 0.796) 0.912 1.576 ( -0.272 0.000 -6.795) 6.800 1.587 ( 0.780 -0.000 1.320) 1.533 1.610 ( -1.749 0.000 5.583) 5.851 1.657 ( 3.896 -0.000 2.438) 4.596 1.787 ( -9.146 0.000 -0.683) 9.172 1.822 ( 0.108 -0.000 1.039) 1.044 1.856 ( -3.695 0.000 1.058) 3.843 1.880 ( 0.848 -0.000 2.890) 3.012 1.946 ( -0.410 0.000 -3.137) 3.164 1.965 ( -4.063 0.000 -1.138) 4.220 1.987 ( 5.853 -0.000 -1.282) 5.991 2.046 ( 3.236 -0.000 1.669) 3.641 2.082 ( -1.787 0.000 -3.226) 3.688 2.129 ( 2.553 -0.000 -3.927) 4.684 2.147 ( 3.958 -0.000 2.686) 4.783 2.150 ( 0.825 -0.000 -0.285) 0.873 2.191 ( 3.859 -0.000 2.773) 4.752 2.201 ( 0.055 -0.000 -6.155) 6.155 2.272 ( -3.213 0.000 -0.075) 3.214 2.289 ( 1.238 -0.000 -3.435) 3.651 2.361 ( 1.990 -0.000 1.233) 2.341 2.375 ( 1.617 -0.000 -4.400) 4.688 2.380 ( 1.525 -0.000 0.892) 1.767 2.421 ( -1.017 0.000 5.730) 5.820 2.451 ( -1.074 0.000 1.482) 1.830 2.529 ( -1.226 0.000 2.600) 2.875 2.544 ( 1.250 -0.000 -9.853) 9.932 2.611 ( -1.362 0.000 -0.519) 1.458 2.680 ( 2.126 -0.000 -0.562) 2.199 2.715 ( -2.062 0.000 8.916) 9.151 2.731 ( -1.029 0.000 5.385) 5.482 2.819 ( 3.405 -0.000 -1.448) 3.700 2.880 ( -0.794 0.000 0.045) 0.795 2.907 ( -2.012 0.000 -1.110) 2.298 2.941 ( 0.676 -0.000 0.514) 0.849 2.960 ( -2.000 0.000 -0.035) 2.001 3.012 ( -2.598 0.000 -2.558) 3.646 3.085 ( 0.267 -0.000 -4.973) 4.980 3.119 ( 0.171 -0.000 2.906) 2.911 3.146 ( 4.354 -0.000 -2.933) 5.250 3.178 ( -0.021 0.000 -0.069) 0.072 3.188 ( 2.456 -0.000 1.144) 2.709 3.286 ( -3.175 0.000 -2.059) 3.784 3.316 ( -0.917 0.000 -1.053) 1.396 3.370 ( -1.243 0.000 1.098) 1.659 3.432 ( 1.716 -0.000 0.421) 1.767 3.472 ( 1.187 -0.000 1.167) 1.665 3.519 ( -1.975 0.000 2.577) 3.246 3.575 ( -1.876 0.000 3.895) 4.323 3.676 ( 0.404 -0.000 1.760) 1.806 3.717 ( 1.196 -0.000 1.631) 2.022 3.802 ( -2.457 0.000 -2.314) 3.375 3.836 ( -0.133 0.000 0.157) 0.205 3.844 ( 0.160 -0.000 -0.049) 0.168 3.866 ( -0.345 0.000 -1.441) 1.482 3.951 ( -2.129 0.000 0.460) 2.178 3.974 ( 2.487 -0.000 0.966) 2.668 3.999 ( 2.297 -0.000 -0.368) 2.326 4.141 ( 0.056 -0.000 -2.296) 2.297 4.346 ( 1.004 -0.000 -0.759) 1.259 4.351 ( 0.271 -0.000 0.120) 0.297 4.359 ( -0.266 0.000 -0.119) 0.291 4.440 ( -0.412 0.000 -2.534) 2.567 4.531 ( 0.146 -0.000 0.221) 0.265 4.551 ( -0.144 0.000 -0.261) 0.298 5.334 ( 0.025 -0.000 -0.035) 0.043 ======================= Grid point 108 (33/117) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 3.350 -13.851 9.478) 17.115 0.560 ( 1.278 -13.028 9.938) 16.436 0.827 ( -5.247 -6.537 -1.448) 8.506 0.858 ( -2.367 -1.869 -2.851) 4.150 0.967 ( -0.051 -11.225 5.264) 12.399 0.978 ( 0.645 -11.955 4.453) 12.774 1.017 ( 1.270 -3.264 -3.226) 4.762 1.071 ( 2.643 -0.108 -2.967) 3.975 1.138 ( -1.378 -6.047 -3.320) 7.035 1.168 ( -1.339 -9.128 1.360) 9.325 1.197 ( -2.189 -1.859 1.751) 3.364 1.241 ( 0.059 -6.964 1.607) 7.147 1.283 ( -0.556 -4.776 -1.921) 5.178 1.306 ( 3.515 -5.530 1.936) 6.832 1.370 ( -0.122 -3.899 1.639) 4.231 1.416 ( 2.570 -3.183 2.144) 4.619 1.442 ( -1.623 -2.025 -2.787) 3.808 1.488 ( 1.592 -6.473 -1.530) 6.839 1.515 ( 2.465 -4.193 -2.389) 5.419 1.527 ( -0.538 -2.366 1.324) 2.764 1.564 ( 2.125 -8.225 -0.285) 8.500 1.618 ( -1.119 -4.282 3.951) 5.933 1.639 ( -1.711 -3.384 1.161) 3.965 1.696 ( 1.081 -7.467 1.546) 7.702 1.732 ( -0.072 -6.603 -4.881) 8.212 1.830 ( -6.206 -0.741 2.519) 6.739 1.853 ( 0.638 -2.034 -2.512) 3.294 1.893 ( -1.770 -2.591 1.594) 3.520 1.928 ( -0.722 -3.478 -0.327) 3.567 1.973 ( 0.036 -5.217 -3.503) 6.284 2.000 ( -1.090 -0.637 -1.842) 2.233 2.033 ( 1.458 -4.515 -1.807) 5.077 2.075 ( -2.703 -1.642 -0.840) 3.272 2.086 ( 1.192 -2.116 1.791) 3.018 2.134 ( -0.717 -2.530 -0.893) 2.778 2.174 ( 2.906 -4.036 -0.176) 4.977 2.197 ( 4.513 -1.748 -4.707) 6.751 2.237 ( 0.260 -2.818 -3.057) 4.166 2.264 ( -0.004 -1.354 3.442) 3.699 2.280 ( 0.245 -2.491 -2.191) 3.327 2.318 ( -1.888 -2.511 2.016) 3.733 2.352 ( 1.669 -1.213 0.196) 2.073 2.381 ( -1.036 -2.209 -2.233) 3.307 2.409 ( 1.122 -1.355 -0.739) 1.908 2.434 ( -0.083 -1.730 1.796) 2.495 2.471 ( 0.505 -1.528 -0.634) 1.730 2.503 ( -1.630 1.795 0.973) 2.613 2.524 ( 2.603 0.456 -4.593) 5.299 2.593 ( -2.821 3.231 3.084) 5.283 2.667 ( 0.095 -2.998 1.676) 3.436 2.685 ( 3.455 0.698 3.438) 4.924 2.739 ( 0.516 2.265 3.184) 3.942 2.816 ( 1.714 1.875 0.422) 2.575 2.865 ( -0.819 0.270 -0.912) 1.255 2.902 ( -1.127 1.109 0.226) 1.597 2.946 ( -2.347 1.623 -0.441) 2.887 2.957 ( -0.860 -1.409 -0.714) 1.798 2.988 ( -1.589 2.084 -1.908) 3.242 3.019 ( 1.700 1.968 -1.351) 2.931 3.110 ( 0.422 1.815 -3.611) 4.063 3.136 ( 0.292 -0.248 1.374) 1.426 3.202 ( 1.840 -2.313 -2.593) 3.932 3.258 ( 1.664 -1.790 1.277) 2.757 3.279 ( -3.774 1.129 -1.870) 4.361 3.310 ( -2.431 -0.489 -1.719) 3.017 3.347 ( -1.328 0.847 1.437) 2.132 3.436 ( -1.980 1.051 1.105) 2.499 3.449 ( 3.024 1.585 -0.157) 3.418 3.498 ( -1.786 1.090 2.871) 3.553 3.569 ( -2.278 0.190 5.387) 5.852 3.666 ( -0.082 1.069 0.768) 1.319 3.699 ( -0.342 1.319 2.671) 2.998 3.767 ( -1.435 2.608 -1.295) 3.246 3.826 ( 0.279 1.513 -0.628) 1.662 3.867 ( 0.327 -1.695 -0.783) 1.895 3.895 ( -0.397 -1.247 -2.702) 3.002 3.939 ( -1.001 0.526 -0.711) 1.336 3.963 ( 1.494 1.251 1.341) 2.366 3.987 ( 0.520 1.372 -0.222) 1.484 4.109 ( -0.531 2.180 -2.623) 3.452 4.308 ( 0.478 2.448 -0.986) 2.683 4.360 ( -0.074 0.079 -0.144) 0.180 4.385 ( -0.377 1.014 -0.477) 1.182 4.396 ( -0.913 0.308 -1.021) 1.404 4.551 ( 0.249 -0.338 -1.108) 1.185 4.552 ( 0.045 -0.095 -0.510) 0.520 5.325 ( -0.050 0.727 -0.007) 0.729 ======================= Grid point 109 (34/117) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 1.726 -12.739 4.016) 13.468 0.855 ( 0.453 -13.163 2.871) 13.480 0.921 ( -1.111 -4.968 2.031) 5.481 0.980 ( -1.133 -9.400 -1.520) 9.589 1.032 ( -2.323 -6.149 0.805) 6.622 1.089 ( -0.726 -4.911 -1.449) 5.171 1.117 ( -1.232 -5.310 -1.374) 5.621 1.200 ( 2.466 -2.383 -2.842) 4.454 1.203 ( -3.713 -0.404 3.467) 5.096 1.282 ( 2.011 -0.739 3.612) 4.200 1.353 ( -1.000 -4.540 2.129) 5.113 1.377 ( 3.040 -4.844 -0.864) 5.784 1.383 ( -0.599 -3.659 -1.065) 3.857 1.448 ( -0.571 -3.956 0.290) 4.008 1.468 ( 1.143 -6.921 -2.289) 7.379 1.521 ( 0.065 -5.984 1.924) 6.286 1.563 ( 1.873 -9.820 1.849) 10.167 1.597 ( 0.680 -10.917 0.213) 10.940 1.621 ( -1.944 -6.191 0.057) 6.489 1.682 ( 1.659 -4.229 2.728) 5.299 1.709 ( -2.358 -6.581 -1.869) 7.237 1.734 ( 1.118 -4.820 1.702) 5.232 1.772 ( 0.643 -6.256 -0.454) 6.305 1.793 ( -1.758 -5.200 0.695) 5.533 1.841 ( 0.274 -3.957 1.176) 4.137 1.885 ( -1.187 -3.882 0.599) 4.103 1.908 ( 1.042 -3.318 0.091) 3.479 1.974 ( 1.155 -4.907 2.420) 5.592 1.986 ( 0.502 -1.167 -2.408) 2.722 2.006 ( -3.018 -1.344 -2.114) 3.923 2.038 ( 1.022 -5.151 1.543) 5.473 2.059 ( -1.020 -0.420 -1.990) 2.275 2.122 ( 0.288 -4.271 -2.540) 4.977 2.171 ( -2.258 -1.639 -1.286) 3.072 2.201 ( 2.440 0.453 0.151) 2.487 2.224 ( -1.081 -0.383 -0.521) 1.260 2.275 ( 1.044 -3.949 -0.219) 4.090 2.293 ( -3.655 -4.334 -0.880) 5.738 2.314 ( -0.736 -3.715 0.843) 3.880 2.338 ( 0.485 -0.539 1.400) 1.577 2.364 ( -2.440 -6.620 0.846) 7.106 2.385 ( -0.665 -0.111 0.607) 0.908 2.442 ( 0.047 -1.347 -2.171) 2.555 2.452 ( -2.228 -3.056 -1.381) 4.026 2.471 ( -1.838 -6.038 -0.183) 6.314 2.505 ( -0.068 -0.531 1.490) 1.583 2.533 ( 1.707 -4.953 -0.737) 5.291 2.583 ( 0.461 -5.128 0.025) 5.149 2.594 ( 3.678 -4.459 -1.304) 5.925 2.660 ( -0.249 3.373 -0.918) 3.504 2.717 ( 3.862 -2.155 3.551) 5.672 2.757 ( 0.032 -0.005 2.886) 2.887 2.778 ( 0.796 -0.306 -3.993) 4.083 2.834 ( -0.573 3.237 -2.699) 4.253 2.868 ( -1.474 3.356 -1.160) 3.845 2.874 ( -2.531 -0.658 -0.686) 2.704 2.934 ( -0.589 0.675 -0.334) 0.956 2.965 ( -0.841 1.440 -0.334) 1.701 3.008 ( 2.321 0.470 -0.298) 2.387 3.094 ( 1.344 -0.841 -5.415) 5.642 3.149 ( 0.470 0.149 1.266) 1.359 3.211 ( -0.534 1.060 -5.135) 5.271 3.240 ( -1.714 -0.673 1.697) 2.504 3.303 ( -0.041 -1.284 1.914) 2.305 3.315 ( -1.368 -0.256 1.275) 1.887 3.351 ( -1.422 -1.096 -0.194) 1.805 3.352 ( -0.661 3.381 0.533) 3.486 3.466 ( -1.842 -1.240 1.985) 2.978 3.490 ( -0.486 -0.363 1.618) 1.728 3.561 ( -2.214 0.676 6.206) 6.624 3.645 ( -1.181 0.523 0.115) 1.296 3.677 ( -0.870 0.845 1.240) 1.735 3.701 ( -0.168 2.551 0.041) 2.557 3.791 ( -1.020 1.632 0.170) 1.932 3.885 ( -0.192 1.002 -2.849) 3.026 3.894 ( 0.902 -0.178 -0.652) 1.128 3.917 ( -0.297 1.163 -1.159) 1.669 3.932 ( 1.641 2.846 -2.214) 3.961 3.961 ( -1.487 0.609 1.982) 2.552 4.063 ( -0.884 1.896 -1.601) 2.634 4.264 ( 0.113 1.473 -0.936) 1.749 4.324 ( -0.714 2.066 0.468) 2.235 4.355 ( -0.411 0.835 0.012) 0.931 4.413 ( 0.187 -0.060 -0.443) 0.484 4.529 ( 0.010 2.349 -0.739) 2.463 4.537 ( 0.155 1.765 -0.527) 1.849 5.308 ( -0.058 0.864 0.014) 0.866 ======================= Grid point 110 (35/117) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -0.857 -1.816 2.272) 3.032 1.060 ( 0.494 -7.981 1.467) 8.129 1.114 ( -0.992 -7.566 3.540) 8.412 1.136 ( -1.130 -4.065 -1.070) 4.353 1.172 ( -0.504 -3.167 1.814) 3.685 1.193 ( 0.020 -4.457 3.530) 5.685 1.224 ( 2.755 -3.496 0.397) 4.469 1.231 ( -1.310 -8.924 1.485) 9.141 1.286 ( -2.978 -5.232 -0.741) 6.065 1.339 ( 2.305 -6.800 0.618) 7.207 1.412 ( 1.302 -0.969 -4.429) 4.717 1.438 ( 0.262 0.901 -3.305) 3.435 1.486 ( -1.888 -6.110 3.127) 7.119 1.498 ( 1.023 -2.855 -0.699) 3.112 1.544 ( -1.659 -3.190 3.561) 5.061 1.585 ( 0.413 -6.376 -2.718) 6.943 1.683 ( -2.002 -0.276 0.092) 2.023 1.704 ( -3.626 -1.611 3.750) 5.459 1.756 ( -0.995 -3.250 0.520) 3.439 1.761 ( 1.043 -4.500 -1.753) 4.941 1.785 ( -0.764 -2.457 -2.910) 3.885 1.804 ( 1.926 -0.171 1.258) 2.306 1.850 ( -5.652 -0.125 4.189) 7.036 1.869 ( -0.918 -4.248 -1.406) 4.567 1.904 ( 0.593 -3.619 -0.944) 3.787 1.941 ( 0.373 -1.115 0.766) 1.403 1.989 ( -0.670 -0.952 1.416) 1.833 2.015 ( 0.578 -0.942 0.086) 1.108 2.051 ( 1.824 -1.329 -0.728) 2.372 2.069 ( 0.728 0.359 0.345) 0.882 2.086 ( 2.114 -2.693 0.137) 3.426 2.118 ( 0.832 -0.768 -0.024) 1.133 2.141 ( 1.715 -1.559 0.905) 2.488 2.220 ( 0.171 -2.229 -2.554) 3.394 2.229 ( -0.738 -0.935 -0.512) 1.296 2.253 ( -1.965 -0.755 1.537) 2.606 2.271 ( 1.957 -0.745 -0.599) 2.178 2.300 ( -0.881 0.621 2.481) 2.705 2.347 ( 0.941 0.257 2.276) 2.476 2.387 ( 0.377 -2.525 -3.169) 4.069 2.403 ( -2.498 -1.835 0.881) 3.222 2.436 ( 0.204 -3.190 -3.945) 5.077 2.506 ( -3.146 1.250 -1.399) 3.663 2.512 ( 0.166 -1.787 0.497) 1.862 2.549 ( -1.214 -3.465 0.613) 3.722 2.576 ( -0.354 0.218 1.193) 1.263 2.618 ( -0.211 -4.059 0.358) 4.080 2.654 ( -3.529 -0.166 -1.501) 3.839 2.684 ( 1.415 -6.306 -0.383) 6.474 2.696 ( -1.120 -3.238 -0.800) 3.518 2.728 ( -1.573 -7.718 -2.900) 8.393 2.760 ( 2.029 0.897 0.522) 2.279 2.780 ( -1.578 1.531 -1.788) 2.834 2.822 ( 0.546 -3.192 -0.071) 3.239 2.852 ( 1.572 2.311 -1.027) 2.978 2.874 ( 0.360 -2.832 -0.249) 2.866 2.917 ( -2.189 -0.352 0.154) 2.222 2.995 ( 1.697 -3.234 -1.005) 3.788 3.045 ( 3.142 -4.872 -2.237) 6.214 3.133 ( -1.031 -0.718 -1.362) 1.853 3.166 ( -0.387 -5.497 -2.589) 6.088 3.203 ( -0.216 -1.436 -2.740) 3.101 3.240 ( 1.009 2.941 -0.697) 3.187 3.300 ( 0.276 -3.746 1.634) 4.097 3.340 ( -0.757 -0.966 3.958) 4.144 3.357 ( -0.438 -2.504 1.465) 2.934 3.399 ( -1.505 -3.287 -0.179) 3.619 3.480 ( -2.164 -0.717 2.165) 3.144 3.508 ( -1.508 -1.078 2.333) 2.980 3.548 ( -1.382 0.074 5.420) 5.594 3.638 ( -1.765 -0.318 0.173) 1.802 3.654 ( 0.051 1.160 -0.319) 1.204 3.702 ( -0.375 -2.408 0.700) 2.536 3.767 ( -1.272 0.170 -0.139) 1.291 3.851 ( -0.762 2.122 -1.722) 2.837 3.865 ( 1.234 2.674 -1.873) 3.491 3.876 ( 0.323 1.894 -0.411) 1.964 3.901 ( 0.823 0.866 -1.909) 2.252 3.951 ( -0.526 0.043 0.912) 1.054 4.025 ( -0.913 1.441 -0.045) 1.707 4.242 ( 0.012 1.012 -0.700) 1.231 4.293 ( 0.103 1.339 0.298) 1.375 4.328 ( -0.652 1.449 0.723) 1.746 4.392 ( -0.096 2.035 -0.318) 2.062 4.453 ( -0.122 4.897 -0.738) 4.954 4.483 ( 0.328 3.480 -0.288) 3.507 5.292 ( -0.041 0.647 0.009) 0.648 ======================= Grid point 111 (36/117) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 0.205 0.230 0.318) 0.443 1.124 ( 0.303 -0.397 -0.235) 0.552 1.168 ( -0.493 -0.611 1.970) 2.121 1.195 ( -1.507 -2.434 -1.984) 3.483 1.267 ( -0.752 -3.241 5.038) 6.037 1.290 ( 1.021 -3.903 1.418) 4.276 1.311 ( 1.377 0.088 -3.595) 3.851 1.348 ( -1.563 -4.436 7.282) 8.669 1.384 ( -0.500 -5.376 3.014) 6.184 1.418 ( -1.474 -2.860 0.530) 3.261 1.469 ( 1.738 -3.429 -2.465) 4.567 1.490 ( 2.501 -4.743 -0.772) 5.417 1.532 ( -0.358 -0.812 1.010) 1.344 1.564 ( -2.075 0.654 3.252) 3.913 1.587 ( -4.724 -2.445 0.150) 5.321 1.698 ( -2.552 -1.462 -0.967) 3.096 1.714 ( 1.083 -0.224 0.862) 1.402 1.748 ( 0.512 -0.535 -1.960) 2.095 1.773 ( -2.605 -5.088 2.112) 6.094 1.796 ( -1.954 -0.007 0.929) 2.164 1.813 ( 0.446 -3.232 -0.925) 3.391 1.828 ( -1.956 -3.238 -2.610) 4.596 1.887 ( -3.493 -1.455 -1.100) 3.940 1.922 ( -0.361 -2.400 0.536) 2.485 1.943 ( 1.823 -0.997 3.152) 3.775 1.964 ( 0.342 -0.364 2.128) 2.186 1.990 ( -0.015 -0.734 -0.134) 0.746 2.017 ( 3.410 2.876 0.541) 4.493 2.043 ( 0.366 -0.117 0.555) 0.675 2.072 ( 1.794 -1.873 -2.102) 3.339 2.087 ( 0.613 1.135 1.408) 1.909 2.120 ( 1.242 0.894 -0.970) 1.812 2.143 ( -0.803 1.032 0.077) 1.310 2.191 ( -1.298 1.604 1.838) 2.763 2.206 ( 0.265 1.015 -2.697) 2.894 2.252 ( 0.677 3.762 -1.294) 4.035 2.283 ( -1.500 -0.113 1.662) 2.242 2.301 ( 2.867 -0.786 -5.030) 5.842 2.346 ( 1.288 2.799 -2.477) 3.953 2.364 ( 0.360 2.819 -2.515) 3.795 2.401 ( 0.222 1.934 0.680) 2.062 2.449 ( 0.961 1.302 1.787) 2.411 2.464 ( -1.932 1.831 -3.229) 4.185 2.531 ( 0.399 -0.526 -0.381) 0.763 2.555 ( -0.711 -0.293 -2.491) 2.607 2.604 ( -3.610 2.369 0.702) 4.374 2.636 ( -0.378 -3.628 1.591) 3.979 2.681 ( -2.896 -0.367 1.316) 3.202 2.711 ( 0.204 0.274 -0.435) 0.553 2.732 ( -2.065 -0.665 -1.466) 2.619 2.764 ( 0.389 0.697 0.277) 0.846 2.785 ( 1.515 -0.215 0.258) 1.552 2.839 ( 0.807 -1.850 -1.597) 2.574 2.889 ( 0.453 -5.760 -0.451) 5.795 2.909 ( 0.465 -3.689 -2.175) 4.307 2.929 ( 2.582 -3.579 0.625) 4.457 2.959 ( 0.250 -2.184 -0.756) 2.325 3.092 ( -1.604 -5.970 -0.073) 6.182 3.131 ( -0.965 -2.400 -0.130) 2.590 3.205 ( 0.689 -3.841 -2.697) 4.744 3.226 ( 1.456 -2.039 -0.644) 2.587 3.265 ( 0.471 -5.140 0.092) 5.163 3.301 ( -1.913 -5.926 -0.620) 6.258 3.344 ( -0.841 -0.879 1.649) 2.049 3.378 ( 0.790 -1.994 1.885) 2.855 3.413 ( -0.964 -1.996 2.408) 3.273 3.468 ( -0.429 -3.461 -0.819) 3.582 3.494 ( -2.768 -1.647 2.111) 3.851 3.531 ( -0.085 -0.979 4.131) 4.246 3.566 ( -0.112 -1.686 1.365) 2.172 3.644 ( -0.152 -0.243 0.283) 0.403 3.662 ( -0.663 -2.418 -0.228) 2.517 3.730 ( -1.150 3.468 -0.043) 3.654 3.744 ( 0.585 2.083 -0.798) 2.306 3.803 ( 0.401 0.172 -0.359) 0.565 3.843 ( 0.138 1.135 -1.472) 1.864 3.861 ( 0.386 -2.631 -0.685) 2.746 3.899 ( 0.742 -1.224 -1.538) 2.101 3.955 ( -0.929 0.001 1.194) 1.513 3.995 ( -0.307 0.963 0.087) 1.014 4.210 ( -0.310 1.956 -0.394) 2.020 4.255 ( 0.360 2.374 0.487) 2.450 4.301 ( 0.258 2.266 0.672) 2.377 4.332 ( -1.125 3.894 -1.383) 4.282 4.351 ( 0.123 2.746 0.503) 2.794 4.410 ( 0.400 3.238 -0.495) 3.300 5.282 ( -0.019 0.323 0.001) 0.324 ======================= Grid point 112 (37/117) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 0.648 0.252 -1.918) 2.040 1.154 ( 0.648 -2.345 -2.601) 3.561 1.165 ( 1.093 1.368 -1.335) 2.202 1.187 ( -0.888 0.442 1.241) 1.589 1.290 ( -2.359 0.498 2.350) 3.367 1.294 ( -0.645 1.593 1.901) 2.563 1.377 ( -1.178 -1.349 6.427) 6.672 1.411 ( 0.636 -0.404 0.791) 1.093 1.428 ( -2.502 -1.714 5.737) 6.490 1.467 ( 0.087 1.069 3.888) 4.033 1.506 ( -0.647 2.533 5.228) 5.845 1.522 ( -0.959 0.489 0.624) 1.244 1.544 ( -0.675 -0.459 -0.764) 1.118 1.576 ( 1.902 -3.005 -1.773) 3.973 1.596 ( -1.656 -0.351 -0.972) 1.952 1.668 ( 0.035 2.179 -0.898) 2.357 1.710 ( -1.626 -0.704 -0.942) 2.006 1.744 ( 1.145 0.759 1.427) 1.981 1.782 ( 0.325 -0.213 -3.191) 3.215 1.819 ( 3.284 -0.947 1.592) 3.770 1.853 ( -2.668 1.998 -1.749) 3.765 1.881 ( 0.373 -0.190 -1.535) 1.591 1.925 ( -0.829 -0.451 0.731) 1.194 1.941 ( -0.169 0.160 -1.468) 1.486 1.968 ( 3.416 1.318 0.990) 3.793 1.982 ( -0.098 0.366 0.827) 0.910 2.006 ( -0.363 -2.092 -0.776) 2.260 2.019 ( -1.175 -0.571 0.393) 1.364 2.030 ( 0.126 -1.205 1.146) 1.668 2.048 ( -0.806 1.526 0.962) 1.976 2.102 ( -0.742 1.678 0.492) 1.900 2.120 ( 1.544 -0.842 -0.599) 1.858 2.149 ( 0.914 0.697 -1.482) 1.876 2.162 ( -2.156 -2.990 0.419) 3.710 2.188 ( 0.070 -0.312 -1.534) 1.567 2.229 ( -0.695 1.077 0.314) 1.319 2.265 ( 0.430 -0.951 0.988) 1.437 2.292 ( -0.642 -0.168 -1.405) 1.554 2.324 ( 2.596 2.363 -3.255) 4.788 2.325 ( 2.600 -1.508 -2.580) 3.961 2.343 ( 0.600 1.539 -2.189) 2.742 2.421 ( -1.592 1.434 0.626) 2.232 2.470 ( 0.035 -1.718 -0.677) 1.847 2.487 ( 0.973 -1.183 -0.587) 1.640 2.575 ( 2.558 -1.024 -4.048) 4.897 2.613 ( -1.540 0.139 -1.192) 1.953 2.648 ( 0.945 1.272 2.224) 2.731 2.671 ( -1.421 -0.098 1.639) 2.171 2.690 ( 0.662 0.144 -1.249) 1.421 2.729 ( -1.536 0.399 -1.097) 1.930 2.770 ( 0.264 -0.023 -0.594) 0.651 2.798 ( 1.600 -1.259 1.065) 2.298 2.880 ( 0.834 0.855 -3.159) 3.377 2.902 ( 0.378 -0.151 -0.104) 0.420 2.948 ( -1.128 0.916 0.138) 1.460 2.966 ( 0.049 0.880 0.347) 0.947 3.016 ( 0.420 -0.735 -0.561) 1.015 3.150 ( 0.088 -0.230 0.643) 0.688 3.173 ( -0.631 -0.090 1.211) 1.368 3.221 ( 0.326 0.397 -0.756) 0.914 3.271 ( 0.900 -0.387 -2.617) 2.795 3.340 ( -1.001 -0.587 2.665) 2.907 3.351 ( 0.040 1.616 0.676) 1.752 3.362 ( -0.652 1.284 0.637) 1.574 3.379 ( 0.062 -1.584 0.246) 1.604 3.473 ( -0.655 -1.838 1.756) 2.625 3.497 ( -1.052 0.486 3.022) 3.236 3.524 ( -0.569 0.737 1.914) 2.129 3.567 ( -0.214 -3.229 0.572) 3.286 3.612 ( -0.825 3.016 0.332) 3.144 3.636 ( 1.001 -0.379 -0.012) 1.070 3.660 ( -0.125 -0.433 -1.207) 1.289 3.673 ( 0.161 0.147 -0.179) 0.282 3.699 ( 0.198 0.607 -0.385) 0.745 3.807 ( 0.470 0.027 -1.199) 1.288 3.831 ( 0.700 -0.088 -2.040) 2.159 3.914 ( -0.145 0.143 0.471) 0.514 3.926 ( -0.325 0.775 0.578) 1.020 3.936 ( -0.034 -1.164 0.354) 1.217 4.003 ( -0.005 0.324 0.002) 0.324 4.186 ( -0.251 -0.447 -0.057) 0.516 4.213 ( 0.587 -0.112 0.453) 0.749 4.245 ( -0.320 0.903 -1.162) 1.506 4.290 ( 0.066 -0.389 0.718) 0.819 4.348 ( -0.004 -1.195 -0.215) 1.214 4.365 ( 0.153 1.006 -0.382) 1.087 5.279 ( 0.001 -0.001 -0.003) 0.003 ======================= Grid point 113 (38/117) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -0.049 0.039 -0.075) 0.098 1.137 ( -0.509 1.394 0.439) 1.548 1.160 ( -0.243 1.007 1.173) 1.565 1.207 ( 0.030 1.854 3.086) 3.600 1.221 ( -0.104 4.221 0.190) 4.227 1.277 ( -0.853 -0.664 -1.772) 2.076 1.321 ( -0.990 6.423 1.766) 6.734 1.331 ( -0.404 4.897 2.301) 5.426 1.417 ( -1.858 3.376 3.426) 5.156 1.439 ( 0.027 1.135 1.794) 2.123 1.462 ( -0.019 2.656 -1.282) 2.949 1.483 ( -0.315 5.800 0.349) 5.819 1.524 ( 0.423 1.338 2.807) 3.138 1.566 ( -2.707 1.753 -1.285) 3.472 1.631 ( 3.832 -1.248 3.069) 5.066 1.668 ( 1.527 0.882 -1.088) 2.072 1.706 ( -1.809 2.267 -1.303) 3.180 1.745 ( 2.214 -1.504 0.999) 2.857 1.773 ( 2.248 3.853 0.604) 4.501 1.778 ( 1.371 0.114 -1.308) 1.898 1.814 ( 1.540 5.729 0.069) 5.932 1.844 ( 1.388 2.867 1.810) 3.664 1.894 ( 2.821 -1.300 2.644) 4.078 1.916 ( -0.136 2.673 0.654) 2.755 1.946 ( -2.662 2.455 -2.129) 4.201 1.979 ( -1.453 0.131 0.104) 1.463 1.994 ( -0.649 -0.101 -0.525) 0.841 1.999 ( -1.986 0.060 -1.350) 2.402 2.015 ( -1.584 0.151 0.065) 1.593 2.062 ( 0.423 0.475 -1.410) 1.547 2.120 ( -1.513 1.162 -0.110) 1.911 2.136 ( 1.676 -2.040 1.533) 3.053 2.149 ( -0.775 -1.009 -0.221) 1.291 2.184 ( -1.459 -1.744 0.413) 2.311 2.215 ( -0.535 -2.526 -0.803) 2.704 2.239 ( 2.224 -0.199 -0.322) 2.256 2.270 ( 1.916 1.578 -4.073) 4.770 2.299 ( -0.777 -2.302 0.607) 2.505 2.333 ( 0.994 -0.468 -0.389) 1.165 2.375 ( 1.073 -3.319 0.772) 3.573 2.391 ( 0.233 -3.945 -3.859) 5.524 2.427 ( -0.474 -2.253 -0.312) 2.323 2.515 ( 0.030 -1.165 -1.075) 1.585 2.541 ( -0.860 3.848 -0.322) 3.956 2.566 ( 1.438 -2.593 -1.761) 3.449 2.599 ( 4.293 -0.954 0.566) 4.434 2.621 ( 3.006 1.630 0.692) 3.488 2.682 ( -0.470 0.641 0.523) 0.951 2.721 ( 0.289 -0.584 1.693) 1.814 2.731 ( 0.722 -1.917 -4.712) 5.138 2.759 ( 0.467 0.203 -0.870) 1.008 2.802 ( 3.125 3.879 1.211) 5.126 2.830 ( -1.211 1.282 -2.583) 3.127 2.863 ( -2.572 4.436 1.411) 5.318 2.898 ( 0.534 2.503 -0.733) 2.662 2.906 ( -0.285 3.798 0.430) 3.833 2.977 ( -0.110 3.568 -1.384) 3.829 3.100 ( 1.461 5.184 -0.162) 5.388 3.136 ( 0.345 2.581 0.604) 2.673 3.182 ( 1.590 5.162 -2.464) 5.937 3.237 ( -0.798 3.046 -0.540) 3.195 3.260 ( 0.047 2.822 -0.721) 2.913 3.317 ( 0.133 3.645 1.845) 4.088 3.342 ( 0.084 2.378 0.923) 2.553 3.380 ( -0.661 2.860 -0.736) 3.026 3.426 ( -0.843 3.821 1.245) 4.106 3.477 ( 0.377 2.725 0.372) 2.776 3.494 ( 0.044 0.904 3.145) 3.273 3.530 ( -1.984 0.793 3.792) 4.353 3.548 ( -0.449 2.501 1.376) 2.890 3.645 ( 0.006 1.235 0.140) 1.243 3.665 ( 0.503 1.182 0.097) 1.288 3.718 ( 1.265 -1.976 -0.326) 2.369 3.750 ( 0.015 -3.839 -0.520) 3.875 3.814 ( -0.338 -1.154 -1.117) 1.641 3.831 ( 1.015 0.445 -0.577) 1.249 3.875 ( -0.193 1.434 -0.932) 1.721 3.889 ( 0.882 1.483 -1.451) 2.255 3.965 ( -0.433 0.200 1.126) 1.223 3.988 ( 0.631 -1.239 0.104) 1.395 4.221 ( 0.046 -2.843 0.041) 2.844 4.245 ( 0.068 -0.561 -0.437) 0.715 4.292 ( 0.061 -4.137 -0.568) 4.176 4.330 ( 0.307 -2.476 1.808) 3.081 4.384 ( -1.033 -3.417 -1.825) 4.009 4.391 ( 1.138 -3.085 0.302) 3.302 5.282 ( 0.018 -0.321 0.001) 0.321 ======================= Grid point 114 (39/117) ======================= q-point: (-0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 0.003 1.465 2.278) 2.708 1.044 ( 0.917 8.071 1.522) 8.264 1.076 ( -0.187 9.780 4.484) 10.760 1.134 ( 1.257 5.198 -0.899) 5.423 1.163 ( 1.311 3.687 -0.550) 3.952 1.190 ( -1.241 2.238 2.158) 3.347 1.198 ( -0.943 3.911 2.247) 4.608 1.268 ( -2.726 7.465 1.570) 8.100 1.320 ( 0.423 6.950 -2.158) 7.290 1.350 ( -2.834 4.988 -0.982) 5.820 1.397 ( 1.648 -0.704 -1.781) 2.527 1.454 ( 2.536 4.624 4.212) 6.750 1.471 ( -0.600 0.494 -2.974) 3.074 1.499 ( -1.709 2.836 -0.358) 3.331 1.553 ( -1.090 3.984 2.538) 4.848 1.594 ( 0.572 7.391 -2.723) 7.898 1.682 ( 1.170 1.838 0.286) 2.198 1.695 ( 2.025 2.613 3.498) 4.812 1.754 ( 1.494 4.443 -0.509) 4.715 1.760 ( 0.023 0.403 -0.459) 0.611 1.773 ( 0.392 1.733 -0.246) 1.794 1.804 ( 1.121 3.713 0.926) 3.988 1.848 ( 3.058 1.763 1.497) 3.834 1.897 ( -0.061 2.016 0.028) 2.017 1.926 ( -1.396 1.273 0.199) 1.899 1.953 ( -2.089 0.758 -0.953) 2.418 1.988 ( -1.198 1.614 0.344) 2.039 2.007 ( 1.516 1.081 0.609) 1.959 2.016 ( 1.429 -0.543 -0.680) 1.673 2.045 ( -0.913 3.234 -1.565) 3.707 2.074 ( -1.439 0.627 0.857) 1.788 2.128 ( -1.056 2.006 0.241) 2.280 2.144 ( -0.621 5.191 -1.336) 5.396 2.188 ( 2.874 1.744 -1.557) 3.705 2.215 ( 1.319 3.260 0.767) 3.600 2.243 ( -0.128 -0.243 4.475) 4.484 2.273 ( -1.046 -0.292 0.619) 1.250 2.319 ( 0.400 -2.271 0.371) 2.336 2.356 ( -3.672 -0.873 0.901) 3.880 2.395 ( 1.112 2.458 -2.025) 3.373 2.417 ( 0.425 1.004 -0.241) 1.116 2.453 ( 1.354 0.297 1.171) 1.815 2.471 ( 1.415 0.303 -3.106) 3.427 2.526 ( 1.726 2.038 0.682) 2.756 2.549 ( 1.140 3.667 -1.697) 4.198 2.583 ( 1.239 1.953 -1.757) 2.905 2.612 ( 0.951 4.955 0.677) 5.091 2.624 ( 2.354 2.356 -0.050) 3.330 2.687 ( 3.517 4.216 -0.532) 5.516 2.703 ( 0.504 1.642 -1.032) 2.004 2.748 ( 1.821 5.960 -1.188) 6.344 2.764 ( -3.720 1.498 -2.747) 4.861 2.811 ( 1.747 1.624 -1.497) 2.815 2.820 ( 0.827 -1.855 0.673) 2.139 2.845 ( -0.358 -0.574 -1.727) 1.854 2.859 ( -1.040 -0.300 0.443) 1.170 2.945 ( -0.476 -0.269 1.081) 1.211 2.971 ( 1.286 5.344 -0.734) 5.545 3.022 ( 0.244 5.873 -2.600) 6.428 3.121 ( 1.863 0.339 -0.994) 2.138 3.171 ( 2.136 6.123 -1.869) 6.748 3.212 ( 0.810 1.252 -1.698) 2.260 3.247 ( -0.653 -1.794 -1.228) 2.270 3.287 ( -0.245 2.882 1.739) 3.375 3.324 ( -0.662 1.014 3.027) 3.261 3.382 ( -1.553 2.329 -0.811) 2.915 3.410 ( 0.429 2.704 -0.164) 2.743 3.492 ( -0.187 0.890 3.484) 3.601 3.497 ( 0.525 1.812 2.217) 2.912 3.536 ( -1.959 -0.972 6.012) 6.397 3.639 ( 1.267 -0.622 0.010) 1.411 3.662 ( -0.081 -0.227 -0.235) 0.337 3.691 ( 0.657 2.191 0.538) 2.350 3.775 ( 0.727 -0.122 0.097) 0.743 3.853 ( 1.520 -1.855 -2.399) 3.392 3.867 ( 0.270 -2.654 -0.385) 2.696 3.880 ( -0.366 -1.568 -1.433) 2.156 3.894 ( 1.096 -1.089 -1.364) 2.061 3.960 ( -0.882 -0.396 0.564) 1.120 4.025 ( 1.144 -1.661 -0.047) 2.017 4.250 ( -0.140 -0.490 -1.026) 1.146 4.282 ( 0.449 -2.135 0.641) 2.274 4.333 ( -0.099 -1.378 0.579) 1.498 4.391 ( 0.303 -2.101 -0.051) 2.123 4.464 ( -0.131 -4.307 -1.242) 4.485 4.475 ( 0.432 -3.874 0.064) 3.899 5.292 ( 0.041 -0.641 0.009) 0.642 ======================= Grid point 115 (40/117) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 0.041 14.268 2.925) 14.565 0.833 ( -0.013 14.323 5.907) 15.494 0.927 ( 0.072 1.552 -0.633) 1.678 1.015 ( 0.338 5.925 -0.564) 5.962 1.019 ( 0.237 5.421 -1.658) 5.674 1.090 ( -0.220 7.524 0.369) 7.537 1.131 ( 0.299 5.995 -0.365) 6.014 1.198 ( 0.634 0.381 -1.385) 1.570 1.233 ( 1.094 -0.176 4.293) 4.434 1.250 ( -3.121 2.746 0.618) 4.203 1.339 ( 1.688 4.963 -0.328) 5.252 1.383 ( -5.072 7.836 3.528) 9.979 1.401 ( -0.059 3.738 -4.140) 5.578 1.443 ( 0.874 3.926 0.161) 4.026 1.463 ( 0.309 9.274 -1.125) 9.347 1.521 ( -0.522 1.294 2.794) 3.123 1.532 ( 0.144 12.569 2.301) 12.779 1.595 ( 1.068 8.121 -1.055) 8.258 1.619 ( 1.236 7.802 -0.335) 7.906 1.660 ( 0.524 6.327 2.878) 6.971 1.706 ( 2.243 4.399 -0.665) 4.982 1.728 ( 0.156 9.666 0.329) 9.672 1.773 ( -0.266 6.089 -0.915) 6.163 1.812 ( -1.291 3.003 1.295) 3.516 1.839 ( -0.423 2.617 1.270) 2.939 1.898 ( -2.213 6.027 2.195) 6.785 1.905 ( -0.976 2.636 -0.355) 2.833 1.946 ( 1.689 2.586 0.518) 3.132 1.987 ( 1.210 0.721 -1.040) 1.751 2.023 ( 0.766 4.063 0.875) 4.226 2.048 ( -1.221 1.146 -5.447) 5.699 2.061 ( 1.110 0.419 -1.389) 1.826 2.123 ( 0.603 2.620 0.120) 2.691 2.163 ( 3.248 -0.334 0.632) 3.326 2.182 ( 1.985 0.467 -0.019) 2.039 2.224 ( 1.408 2.926 -1.464) 3.561 2.259 ( 1.699 5.142 -2.085) 5.803 2.309 ( -1.720 3.689 3.172) 5.160 2.323 ( 1.052 1.642 -0.052) 1.951 2.340 ( -0.586 1.782 1.760) 2.572 2.363 ( -0.784 1.900 0.496) 2.115 2.412 ( 0.755 8.873 -2.664) 9.295 2.439 ( 0.369 4.410 1.825) 4.786 2.481 ( -1.349 1.357 -2.495) 3.144 2.492 ( 1.455 2.983 -0.402) 3.343 2.500 ( -1.412 0.809 0.599) 1.734 2.517 ( 0.565 3.050 -0.020) 3.102 2.548 ( 3.960 3.868 -1.062) 5.637 2.580 ( -2.229 5.308 0.272) 5.763 2.653 ( 4.290 2.462 1.601) 5.198 2.683 ( -2.391 -1.594 -1.995) 3.498 2.740 ( 1.019 1.679 1.736) 2.621 2.788 ( 0.461 0.382 -2.337) 2.412 2.849 ( -0.410 -2.550 -2.833) 3.833 2.871 ( 1.856 -1.355 -1.117) 2.556 2.903 ( -1.299 -1.998 -1.284) 2.707 2.928 ( 1.348 -2.042 0.146) 2.451 2.971 ( 1.109 -0.479 0.353) 1.258 2.993 ( -0.542 -1.191 -0.772) 1.519 3.094 ( 2.060 0.647 -4.627) 5.106 3.135 ( 1.602 -0.124 0.269) 1.629 3.214 ( 2.274 -0.115 -1.446) 2.697 3.246 ( -0.344 -0.284 3.076) 3.108 3.298 ( -1.274 1.778 1.443) 2.620 3.338 ( 1.015 -4.268 -0.433) 4.408 3.341 ( -1.265 0.292 -1.706) 2.144 3.370 ( -0.429 0.798 -0.159) 0.920 3.455 ( 2.260 1.944 1.915) 3.543 3.493 ( -1.611 -0.101 2.243) 2.764 3.559 ( -2.144 -0.921 6.584) 6.985 3.649 ( 0.614 -0.062 -0.318) 0.694 3.671 ( 0.628 -0.685 1.720) 1.955 3.702 ( 0.238 -3.103 -0.299) 3.127 3.794 ( 0.330 -1.368 0.350) 1.450 3.884 ( 1.268 -0.562 -0.865) 1.634 3.892 ( 0.835 -0.692 -2.599) 2.816 3.911 ( 1.327 -0.815 -1.296) 2.026 3.934 ( 0.180 -2.642 -1.253) 2.929 3.972 ( -1.488 -0.605 0.990) 1.887 4.066 ( 1.633 -2.045 -1.472) 3.003 4.265 ( 0.346 -1.318 -0.952) 1.663 4.325 ( 0.141 -2.415 0.484) 2.467 4.359 ( -0.034 -0.961 0.057) 0.963 4.412 ( 0.306 0.052 -0.448) 0.545 4.532 ( 0.048 -2.167 -0.768) 2.299 4.537 ( 0.382 -1.988 -0.613) 2.116 5.308 ( 0.066 -0.864 0.013) 0.866 ======================= Grid point 116 (41/117) ======================= q-point: (-0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 0.391 14.759 8.742) 17.158 0.539 ( -1.459 14.081 10.015) 17.340 0.854 ( -3.443 10.016 1.950) 10.769 0.876 ( -2.410 4.821 -1.967) 5.737 0.941 ( -0.730 15.233 8.714) 17.565 0.992 ( -1.014 1.537 -4.986) 5.315 1.002 ( 4.342 2.768 -0.946) 5.236 1.061 ( 2.860 1.032 -2.060) 3.673 1.162 ( -3.078 5.047 -4.449) 7.398 1.181 ( -3.583 8.813 0.365) 9.520 1.210 ( -3.079 1.674 1.579) 3.844 1.233 ( 1.513 7.027 2.154) 7.504 1.278 ( 2.900 4.145 1.409) 5.252 1.294 ( -0.578 5.588 -1.909) 5.933 1.365 ( 0.741 3.804 1.442) 4.135 1.397 ( 2.022 4.488 2.340) 5.450 1.452 ( 0.118 3.587 -2.324) 4.275 1.485 ( 1.116 4.309 -2.170) 4.952 1.504 ( 2.475 6.683 -1.390) 7.261 1.526 ( -0.831 0.941 2.009) 2.369 1.555 ( 1.232 6.632 -0.397) 6.757 1.610 ( 0.449 3.495 5.095) 6.195 1.647 ( -2.162 3.809 1.809) 4.738 1.685 ( 1.226 8.803 0.726) 8.917 1.745 ( -0.126 7.673 -5.499) 9.441 1.842 ( -0.032 -0.282 -0.324) 0.431 1.858 ( -1.691 0.466 0.706) 1.891 1.909 ( -2.642 1.572 -0.557) 3.124 1.928 ( 0.156 3.555 0.960) 3.686 1.973 ( 1.295 4.973 -1.787) 5.441 2.007 ( 2.581 1.263 -3.329) 4.397 2.040 ( -2.282 4.312 -2.325) 5.404 2.077 ( 0.229 5.900 0.575) 5.932 2.090 ( -2.631 -0.036 0.736) 2.732 2.132 ( 2.200 2.471 0.224) 3.316 2.158 ( 3.528 4.781 -3.486) 6.889 2.179 ( 4.185 2.024 -3.213) 5.651 2.237 ( 1.055 2.164 0.988) 2.603 2.257 ( 0.622 2.861 -0.405) 2.956 2.287 ( -0.232 1.800 -3.339) 3.801 2.319 ( 2.609 1.688 2.972) 4.300 2.337 ( 0.258 2.374 0.792) 2.516 2.389 ( 1.210 1.583 -3.681) 4.185 2.404 ( -0.105 2.820 -0.403) 2.850 2.433 ( -1.089 0.017 2.972) 3.165 2.462 ( 1.409 2.441 1.722) 3.303 2.511 ( -2.049 -1.463 1.817) 3.105 2.531 ( 0.091 -1.471 -7.928) 8.064 2.600 ( -1.872 -3.060 3.980) 5.358 2.655 ( 3.332 -0.801 3.048) 4.586 2.669 ( -1.016 2.066 1.345) 2.667 2.731 ( 0.035 -1.937 2.700) 3.323 2.803 ( 1.772 -0.895 0.949) 2.200 2.875 ( -1.407 -0.987 -1.589) 2.341 2.906 ( -0.180 -1.214 -0.274) 1.257 2.950 ( 0.608 0.617 -0.387) 0.949 2.966 ( -0.584 -0.508 -0.673) 1.026 2.999 ( -0.633 -2.522 -2.104) 3.345 3.015 ( 0.765 -2.706 -1.824) 3.351 3.110 ( 0.880 -1.085 -0.593) 1.517 3.128 ( 2.180 0.005 -0.929) 2.370 3.194 ( 2.316 2.785 -1.727) 4.013 3.249 ( 0.817 1.799 0.939) 2.188 3.293 ( -0.674 -1.722 -0.011) 1.849 3.332 ( -3.040 0.790 -2.508) 4.019 3.352 ( -1.088 -0.739 0.873) 1.579 3.424 ( 4.791 -0.447 0.409) 4.829 3.443 ( -1.137 -1.815 0.814) 2.291 3.503 ( -1.449 -1.198 2.089) 2.810 3.571 ( -2.195 -0.277 5.857) 6.260 3.663 ( 0.410 -0.849 0.674) 1.159 3.692 ( 0.701 -1.139 2.553) 2.882 3.777 ( -0.932 -3.135 -1.326) 3.530 3.823 ( 0.817 -1.332 -0.346) 1.601 3.868 ( -0.053 1.577 -0.561) 1.674 3.901 ( 0.250 0.956 -2.812) 2.980 3.940 ( 2.079 -1.406 -1.476) 2.912 3.956 ( -0.930 -0.214 0.956) 1.351 3.984 ( 0.433 -0.786 0.502) 1.028 4.113 ( 1.119 -2.262 -2.407) 3.487 4.306 ( 0.676 -2.331 -1.009) 2.628 4.361 ( -0.082 -0.168 -0.120) 0.222 4.386 ( 0.376 0.394 -0.697) 0.885 4.402 ( -0.204 -1.807 -0.827) 1.998 4.551 ( 0.482 0.516 -1.356) 1.529 4.553 ( -0.013 -0.042 -0.405) 0.407 5.325 ( 0.072 -0.727 -0.008) 0.731 ======================= Grid point 118 (42/117) ======================= q-point: ( 0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( 7.511 -0.000 14.761) 16.562 0.416 ( 8.099 -0.000 15.696) 17.663 0.677 ( 6.017 -0.000 22.865) 23.643 0.800 ( -8.970 0.000 3.767) 9.729 0.902 ( -2.556 0.000 -9.003) 9.359 0.903 ( -11.297 0.000 -4.684) 12.230 0.943 ( 4.909 -0.000 -3.406) 5.975 1.002 ( 4.467 -0.000 -1.628) 4.754 1.006 ( -0.438 0.000 -2.001) 2.048 1.116 ( 0.428 -0.000 -0.404) 0.589 1.139 ( -0.014 0.000 1.889) 1.889 1.222 ( -0.668 0.000 -1.356) 1.512 1.231 ( -1.536 0.000 3.517) 3.837 1.248 ( 1.578 -0.000 -2.229) 2.731 1.265 ( 4.406 -0.000 1.243) 4.578 1.401 ( -0.272 0.000 0.353) 0.445 1.409 ( 1.130 -0.000 0.270) 1.162 1.430 ( 0.184 -0.000 -1.169) 1.183 1.448 ( 2.552 -0.000 -2.514) 3.582 1.513 ( -2.191 0.000 0.482) 2.244 1.525 ( 0.422 -0.000 0.836) 0.936 1.563 ( 0.376 -0.000 -7.393) 7.403 1.591 ( -0.355 0.000 0.899) 0.966 1.594 ( -6.548 0.000 3.880) 7.612 1.685 ( 2.484 -0.000 4.253) 4.926 1.731 ( -7.407 0.000 -0.685) 7.439 1.830 ( 1.815 -0.000 1.063) 2.104 1.842 ( -1.574 0.000 0.200) 1.587 1.895 ( 1.738 -0.000 4.175) 4.522 1.938 ( -0.129 0.000 -3.899) 3.901 1.941 ( -3.397 0.000 -1.075) 3.563 2.017 ( 5.160 -0.000 -0.990) 5.254 2.057 ( -0.010 0.000 -6.774) 6.774 2.071 ( -0.580 0.000 4.433) 4.471 2.132 ( 0.166 -0.000 0.131) 0.211 2.150 ( -0.243 0.000 -2.063) 2.077 2.171 ( 2.468 -0.000 1.602) 2.942 2.190 ( 0.468 -0.000 -5.211) 5.232 2.219 ( 3.618 -0.000 1.889) 4.082 2.255 ( -2.537 0.000 0.951) 2.709 2.288 ( 0.067 -0.000 -2.273) 2.274 2.351 ( -1.706 0.000 -3.640) 4.020 2.388 ( 2.770 -0.000 -2.284) 3.590 2.388 ( 0.876 -0.000 0.508) 1.013 2.419 ( -2.764 0.000 3.468) 4.434 2.444 ( -2.402 0.000 1.839) 3.025 2.532 ( 0.875 -0.000 -2.555) 2.701 2.541 ( 3.106 -0.000 -2.503) 3.989 2.603 ( -1.299 0.000 -0.145) 1.307 2.687 ( 1.725 -0.000 -2.067) 2.692 2.719 ( -2.754 0.000 8.883) 9.300 2.749 ( 2.492 -0.000 7.375) 7.785 2.827 ( 0.553 -0.000 -2.311) 2.377 2.874 ( -1.193 0.000 0.202) 1.210 2.894 ( -1.606 0.000 -0.792) 1.791 2.942 ( -0.551 0.000 0.088) 0.558 2.948 ( -1.973 0.000 0.324) 2.000 2.992 ( -2.652 0.000 -2.110) 3.389 3.080 ( 1.598 -0.000 -4.560) 4.832 3.121 ( -1.368 0.000 1.805) 2.264 3.159 ( 1.748 -0.000 -4.464) 4.794 3.177 ( -0.182 0.000 -0.197) 0.268 3.197 ( -0.380 0.000 1.826) 1.865 3.266 ( -1.395 0.000 -1.442) 2.006 3.306 ( -1.187 0.000 -1.389) 1.828 3.365 ( -1.104 0.000 1.243) 1.663 3.434 ( -1.213 0.000 0.264) 1.241 3.480 ( 0.602 -0.000 0.418) 0.733 3.513 ( -2.413 0.000 3.981) 4.655 3.571 ( -2.021 0.000 3.099) 3.700 3.681 ( 0.009 -0.000 1.558) 1.558 3.721 ( -1.317 0.000 1.884) 2.299 3.785 ( -1.577 0.000 -2.025) 2.567 3.835 ( -0.249 0.000 0.126) 0.279 3.846 ( 0.300 -0.000 -0.029) 0.301 3.862 ( 0.117 -0.000 -1.553) 1.557 3.940 ( -1.913 0.000 0.360) 1.947 3.982 ( -0.451 0.000 1.312) 1.388 4.016 ( 3.614 -0.000 -1.348) 3.857 4.132 ( -1.369 0.000 -2.484) 2.836 4.349 ( 0.649 -0.000 -0.792) 1.024 4.352 ( 0.220 -0.000 0.119) 0.251 4.357 ( -0.299 0.000 -0.119) 0.322 4.427 ( -1.818 0.000 -2.751) 3.298 4.532 ( 0.168 -0.000 0.222) 0.279 4.549 ( -0.110 0.000 -0.261) 0.283 5.333 ( -0.134 0.000 -0.037) 0.139 ======================= Grid point 119 (43/117) ======================= q-point: ( 0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 5.945 -12.107 9.160) 16.304 0.595 ( 3.745 -11.228 10.232) 15.646 0.792 ( -5.355 -5.928 -0.922) 8.041 0.833 ( -4.219 -2.538 -2.435) 5.493 0.948 ( -2.531 -2.031 -5.254) 6.175 0.999 ( -3.282 -3.954 -5.264) 7.356 1.025 ( 3.964 -17.130 12.105) 21.347 1.084 ( 3.527 -4.866 -0.494) 6.030 1.139 ( 3.553 -5.401 -2.439) 6.909 1.171 ( 0.758 -7.556 2.237) 7.917 1.192 ( -1.123 -2.860 2.134) 3.741 1.241 ( -0.718 -6.896 0.786) 6.978 1.278 ( 0.076 -5.346 -0.911) 5.424 1.328 ( 2.717 -5.163 1.533) 6.032 1.371 ( -0.651 -3.832 1.137) 4.049 1.420 ( -1.762 -5.100 -2.605) 5.992 1.439 ( 1.813 0.499 1.462) 2.382 1.494 ( 0.449 -7.133 0.399) 7.159 1.521 ( 0.270 -5.241 -0.353) 5.260 1.525 ( 0.614 -1.007 -1.797) 2.150 1.576 ( 1.590 -9.139 -0.063) 9.277 1.615 ( -1.806 -5.382 2.435) 6.178 1.634 ( -0.061 -3.199 -0.043) 3.200 1.694 ( -1.578 -8.144 -2.729) 8.732 1.733 ( 2.485 -4.711 -0.369) 5.340 1.783 ( -10.279 -3.920 1.993) 11.180 1.848 ( -0.409 -2.684 -2.237) 3.518 1.897 ( 0.205 -1.699 3.007) 3.460 1.921 ( -0.426 -2.105 -0.953) 2.349 1.960 ( -0.529 -3.221 -5.402) 6.312 2.002 ( 1.229 -1.625 0.766) 2.177 2.039 ( 1.334 -3.763 -1.296) 4.197 2.054 ( -3.730 -1.859 -0.597) 4.210 2.095 ( 0.912 -0.923 -0.410) 1.361 2.126 ( -1.928 -3.283 0.911) 3.914 2.188 ( 1.630 -2.880 0.214) 3.316 2.209 ( 2.451 -1.756 -4.399) 5.333 2.231 ( 0.432 -3.162 -3.918) 5.053 2.264 ( -0.951 -0.348 0.260) 1.046 2.283 ( 0.480 -3.374 1.356) 3.667 2.314 ( -1.203 -2.145 2.839) 3.756 2.353 ( -0.290 -1.130 -1.734) 2.090 2.371 ( -0.962 -3.350 -1.573) 3.824 2.408 ( -1.023 0.444 0.928) 1.451 2.439 ( 0.831 -2.395 -1.535) 2.964 2.467 ( -0.287 -2.307 -2.188) 3.193 2.497 ( -0.471 2.188 0.144) 2.243 2.536 ( 2.247 0.428 -1.108) 2.541 2.583 ( -1.929 2.596 1.871) 3.737 2.674 ( 1.192 -3.497 2.131) 4.265 2.708 ( 1.985 1.017 2.202) 3.134 2.753 ( 1.651 2.546 4.261) 5.231 2.822 ( 0.470 2.326 -0.649) 2.460 2.863 ( 0.595 -0.732 0.203) 0.965 2.895 ( -1.448 1.623 0.562) 2.246 2.925 ( -3.567 2.313 -0.877) 4.341 2.953 ( -0.416 -1.437 -0.288) 1.523 2.970 ( -3.255 1.830 -2.175) 4.322 3.029 ( 2.161 0.950 -0.161) 2.366 3.099 ( -0.884 1.611 -4.869) 5.204 3.136 ( -1.209 -0.344 0.989) 1.599 3.207 ( 1.964 -1.113 -2.464) 3.342 3.246 ( -4.786 -0.429 -3.706) 6.068 3.269 ( 0.107 -1.593 2.673) 3.113 3.297 ( -0.964 0.181 -1.260) 1.597 3.344 ( -0.846 1.111 1.681) 2.185 3.423 ( -3.032 1.263 0.654) 3.349 3.460 ( 0.753 1.484 0.257) 1.683 3.494 ( -1.650 0.917 3.159) 3.680 3.567 ( -2.291 0.037 4.936) 5.442 3.665 ( -0.889 1.385 0.660) 1.774 3.699 ( -1.598 1.220 2.559) 3.254 3.756 ( -1.150 2.299 -0.851) 2.708 3.824 ( -0.348 1.696 -0.562) 1.820 3.869 ( 0.662 -1.846 -0.835) 2.132 3.887 ( -0.388 -1.087 -2.438) 2.697 3.931 ( -1.115 0.324 -0.746) 1.380 3.970 ( -0.997 0.844 2.545) 2.861 3.992 ( 2.147 2.375 -1.546) 3.556 4.097 ( -1.661 2.065 -2.736) 3.809 4.307 ( 0.084 2.555 -1.179) 2.815 4.360 ( -0.035 -0.024 -0.123) 0.131 4.376 ( -2.007 2.906 -0.439) 3.559 4.392 ( 0.020 -1.851 -0.595) 1.944 4.550 ( 0.072 -0.201 -0.869) 0.895 4.552 ( 0.121 -0.172 -0.518) 0.559 5.325 ( -0.155 0.710 -0.007) 0.726 ======================= Grid point 120 (44/117) ======================= q-point: ( 0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 0.868 -10.916 1.935) 11.120 0.867 ( 2.145 -11.498 2.814) 12.030 0.920 ( -1.413 -7.515 3.766) 8.524 0.971 ( -1.340 -9.791 -0.811) 9.915 1.018 ( -2.922 -7.551 1.893) 8.315 1.072 ( -2.567 -5.022 -4.192) 7.027 1.111 ( -0.427 -5.427 0.202) 5.448 1.188 ( -2.995 -0.829 2.804) 4.185 1.218 ( 4.160 -1.220 -1.982) 4.766 1.300 ( 1.949 -1.707 2.955) 3.930 1.350 ( -0.839 -2.473 -1.490) 3.007 1.371 ( -0.742 -5.425 0.006) 5.475 1.402 ( 3.141 -3.399 2.376) 5.203 1.443 ( -1.032 -3.637 -0.118) 3.782 1.468 ( 0.756 -5.493 -2.949) 6.280 1.527 ( 0.487 -4.977 1.115) 5.124 1.574 ( 1.200 -9.928 -0.031) 10.001 1.605 ( -2.717 -5.502 -0.137) 6.138 1.607 ( 1.059 -12.044 2.566) 12.360 1.687 ( -3.462 -5.846 -1.312) 6.920 1.699 ( 1.830 -3.283 3.204) 4.939 1.743 ( 0.912 -4.609 0.418) 4.717 1.775 ( -0.245 -3.827 1.452) 4.100 1.787 ( -0.299 -7.228 -0.848) 7.284 1.847 ( 1.119 -5.726 0.987) 5.917 1.879 ( -0.979 -3.167 0.126) 3.317 1.916 ( 1.256 -4.508 0.159) 4.682 1.977 ( -3.830 -5.908 2.018) 7.325 1.978 ( 0.617 -2.366 -4.847) 5.429 1.995 ( 0.197 -3.113 1.743) 3.573 2.044 ( -2.071 0.062 -1.675) 2.664 2.048 ( 0.767 -5.173 1.716) 5.504 2.116 ( -0.292 -4.460 -3.452) 5.648 2.155 ( -2.024 -2.069 -1.172) 3.122 2.210 ( -2.590 -1.366 -0.422) 2.958 2.213 ( 0.941 1.135 -0.457) 1.544 2.264 ( -3.731 -6.053 -1.591) 7.286 2.285 ( 1.683 -2.656 -0.740) 3.230 2.314 ( -0.030 -1.748 0.156) 1.756 2.342 ( -0.233 -1.264 1.605) 2.056 2.353 ( -1.927 -4.696 2.123) 5.503 2.386 ( -0.412 0.483 2.047) 2.143 2.433 ( -0.603 0.373 -4.757) 4.809 2.438 ( -1.749 -5.176 0.184) 5.466 2.461 ( -1.274 -6.044 0.222) 6.181 2.509 ( 0.045 -1.612 2.554) 3.021 2.537 ( 0.520 -4.622 -1.777) 4.979 2.581 ( -0.394 -5.659 -1.299) 5.820 2.610 ( 2.626 -3.163 -1.018) 4.236 2.659 ( 0.129 2.844 -0.666) 2.924 2.743 ( 2.299 -0.863 3.174) 4.013 2.763 ( -0.690 1.788 3.586) 4.066 2.776 ( 1.574 0.217 -4.248) 4.536 2.821 ( -1.329 2.514 -3.588) 4.578 2.856 ( -2.828 -1.025 0.408) 3.035 2.863 ( 0.105 2.728 -0.764) 2.835 2.925 ( -1.615 -0.397 -0.982) 1.931 2.961 ( -0.385 1.049 -0.140) 1.127 3.020 ( 1.938 0.850 -0.461) 2.166 3.089 ( 0.854 -0.854 -5.546) 5.676 3.153 ( -0.517 -0.045 1.375) 1.470 3.195 ( -0.279 1.126 -6.210) 6.317 3.234 ( -1.315 -1.600 1.539) 2.580 3.300 ( -1.381 0.229 -0.321) 1.436 3.315 ( -1.099 -2.333 3.764) 4.563 3.337 ( -2.088 -0.969 1.339) 2.663 3.355 ( 0.527 3.321 0.019) 3.363 3.457 ( -2.544 -0.984 1.894) 3.321 3.488 ( -1.343 -0.255 1.741) 2.214 3.560 ( -2.196 0.541 5.961) 6.375 3.637 ( -1.561 0.693 0.392) 1.752 3.672 ( -1.495 0.942 0.753) 1.921 3.700 ( -0.238 2.174 0.222) 2.198 3.784 ( -1.302 1.745 0.345) 2.205 3.877 ( -0.392 1.066 -2.513) 2.758 3.897 ( 0.789 -0.501 -0.930) 1.319 3.911 ( -0.615 1.291 -1.181) 1.854 3.937 ( 0.937 3.073 -1.683) 3.626 3.959 ( -0.354 0.430 1.550) 1.647 4.052 ( -1.570 1.635 -1.411) 2.670 4.263 ( -0.009 1.419 -0.971) 1.720 4.320 ( -1.049 1.766 0.630) 2.149 4.353 ( -0.206 0.818 0.038) 0.844 4.413 ( 0.113 -0.031 -0.466) 0.480 4.528 ( 0.076 2.387 -0.687) 2.485 4.537 ( 0.076 1.687 -0.443) 1.745 5.308 ( -0.103 0.847 0.010) 0.853 ======================= Grid point 121 (45/117) ======================= q-point: ( 0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -1.173 -2.148 2.070) 3.206 1.066 ( 0.332 -7.680 0.925) 7.742 1.108 ( -2.420 -5.424 1.376) 6.097 1.128 ( -1.114 -5.363 0.227) 5.482 1.173 ( -0.641 -3.084 1.442) 3.464 1.203 ( -0.222 -8.156 5.374) 9.770 1.222 ( -0.824 -6.267 0.122) 6.322 1.243 ( 0.558 -4.482 1.317) 4.705 1.275 ( 0.988 -4.952 -1.257) 5.203 1.355 ( 2.409 -6.749 0.885) 7.220 1.409 ( 1.114 -1.899 -4.100) 4.653 1.435 ( 1.044 1.757 -3.755) 4.276 1.475 ( -2.938 -5.477 1.069) 6.306 1.507 ( 0.898 -1.838 2.807) 3.473 1.540 ( -1.255 -4.338 1.534) 4.769 1.583 ( 0.546 -5.455 -1.890) 5.799 1.664 ( -4.241 -1.816 0.016) 4.613 1.695 ( -1.725 0.016 2.468) 3.011 1.748 ( -2.196 -3.184 0.513) 3.901 1.763 ( -0.537 -1.982 -1.956) 2.836 1.772 ( -0.310 -4.939 -1.191) 5.090 1.821 ( -0.283 -2.297 2.849) 3.671 1.830 ( -2.061 2.897 3.194) 4.779 1.860 ( -0.415 -3.506 -2.799) 4.506 1.907 ( 0.529 -4.885 -0.570) 4.946 1.947 ( 0.913 -1.318 1.271) 2.046 1.984 ( -1.601 -0.064 1.297) 2.061 2.018 ( -0.033 -1.014 0.357) 1.076 2.058 ( 0.926 -0.765 -0.326) 1.245 2.068 ( -1.019 -3.031 0.634) 3.260 2.102 ( 3.185 -0.659 -0.319) 3.268 2.124 ( 1.594 -0.800 -0.913) 2.003 2.157 ( 2.538 -2.040 0.979) 3.400 2.214 ( -2.936 0.453 -2.343) 3.783 2.215 ( -0.019 -1.432 -1.410) 2.010 2.250 ( 0.105 -2.992 0.546) 3.043 2.283 ( 2.142 -0.318 -1.237) 2.494 2.301 ( -0.525 0.933 1.899) 2.180 2.357 ( 0.384 -0.277 3.169) 3.204 2.378 ( -2.341 -2.596 -1.542) 3.820 2.392 ( -1.037 -4.372 1.434) 4.717 2.433 ( 1.252 -3.179 -3.339) 4.777 2.481 ( -3.414 1.860 -1.927) 4.339 2.510 ( -1.069 -4.221 0.654) 4.403 2.544 ( -1.000 1.494 -0.250) 1.815 2.572 ( -1.561 -3.384 0.715) 3.795 2.615 ( -1.123 -1.201 0.560) 1.737 2.639 ( -0.571 -1.333 -0.475) 1.526 2.672 ( -2.771 -3.567 -4.240) 6.195 2.698 ( 0.930 -6.484 0.594) 6.577 2.714 ( -1.604 -5.986 -0.687) 6.236 2.768 ( 0.329 2.855 -1.023) 3.050 2.774 ( 0.819 -0.550 -0.571) 1.140 2.824 ( -0.322 -2.318 1.931) 3.034 2.861 ( 2.117 0.264 -2.018) 2.937 2.874 ( 0.466 -3.237 -1.056) 3.437 2.906 ( -1.690 -0.382 0.319) 1.762 3.001 ( 1.224 -2.673 -1.628) 3.361 3.058 ( 2.923 -4.846 -2.196) 6.071 3.120 ( -1.909 -1.248 -2.273) 3.220 3.158 ( -0.853 -4.043 -2.024) 4.601 3.196 ( -0.200 -2.189 -2.744) 3.515 3.247 ( 1.622 2.534 -0.323) 3.026 3.304 ( 0.084 -3.663 1.383) 3.916 3.340 ( -1.299 -1.311 2.376) 3.009 3.363 ( 0.580 -2.008 3.535) 4.107 3.389 ( -1.398 -3.975 -0.274) 4.222 3.471 ( -2.270 -0.672 1.897) 3.033 3.502 ( -2.121 -1.577 2.691) 3.772 3.550 ( -1.653 0.095 5.073) 5.337 3.628 ( -1.737 -0.468 0.331) 1.829 3.653 ( -0.052 1.055 -0.327) 1.106 3.699 ( -0.821 -2.397 0.532) 2.589 3.759 ( -1.266 0.203 -0.033) 1.282 3.844 ( -0.192 1.986 -1.742) 2.649 3.868 ( 0.996 2.472 -1.616) 3.117 3.877 ( 0.151 1.922 -0.403) 1.970 3.901 ( 0.397 0.760 -1.828) 2.019 3.952 ( 0.053 0.194 0.809) 0.833 4.018 ( -1.227 1.173 0.035) 1.698 4.241 ( 0.215 1.033 -0.541) 1.185 4.293 ( -0.300 1.096 0.123) 1.142 4.327 ( -0.472 1.499 0.808) 1.767 4.390 ( -0.197 2.124 -0.395) 2.169 4.451 ( 0.124 4.909 -0.482) 4.934 4.484 ( 0.184 3.422 -0.404) 3.450 5.292 ( -0.054 0.636 0.007) 0.639 ======================= Grid point 122 (46/117) ======================= q-point: ( 0.50 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -0.065 0.187 0.059) 0.207 1.126 ( 0.615 -0.214 -0.001) 0.651 1.169 ( -0.564 -0.834 1.856) 2.112 1.183 ( -0.810 -2.898 -1.425) 3.330 1.266 ( -2.504 -2.278 3.546) 4.902 1.297 ( 0.303 -5.726 2.705) 6.340 1.314 ( 2.366 1.614 -4.429) 5.275 1.354 ( -1.543 -3.831 6.648) 7.827 1.384 ( -1.899 -5.020 2.332) 5.852 1.420 ( 1.537 -4.533 2.045) 5.206 1.474 ( 1.500 -4.011 -1.923) 4.694 1.506 ( 2.960 -3.827 -0.824) 4.908 1.526 ( -2.505 -0.745 0.578) 2.677 1.558 ( -1.724 -0.230 3.001) 3.469 1.563 ( -3.050 -1.489 0.572) 3.442 1.678 ( -2.928 -1.528 -1.267) 3.537 1.713 ( -2.726 -0.692 0.922) 2.960 1.748 ( 1.152 -0.564 -1.760) 2.177 1.767 ( -0.454 -5.309 1.855) 5.642 1.791 ( -0.730 0.207 1.266) 1.476 1.808 ( -1.306 -1.950 -2.654) 3.543 1.819 ( 0.039 -4.469 0.126) 4.471 1.862 ( -2.822 -1.506 -3.326) 4.615 1.924 ( 0.045 -3.054 1.679) 3.485 1.953 ( 0.237 -0.644 0.702) 0.982 1.978 ( 1.364 -0.751 5.123) 5.355 1.988 ( -0.464 -1.274 -0.021) 1.357 2.037 ( 2.305 2.126 0.810) 3.239 2.040 ( -0.687 -0.148 -0.050) 0.704 2.072 ( 0.176 -2.005 -1.746) 2.665 2.098 ( 1.243 3.922 1.412) 4.350 2.130 ( 1.320 1.308 -1.104) 2.161 2.142 ( 1.562 1.408 -0.312) 2.126 2.186 ( -1.382 0.240 1.683) 2.191 2.202 ( 0.596 0.375 -3.621) 3.689 2.254 ( 0.276 3.934 -0.886) 4.042 2.278 ( -1.367 0.323 1.543) 2.086 2.306 ( 2.265 -1.150 -5.062) 5.663 2.347 ( 0.768 2.984 -2.928) 4.251 2.360 ( -0.741 2.799 -0.917) 3.037 2.403 ( 0.384 1.987 0.280) 2.043 2.444 ( -1.281 1.273 -1.312) 2.233 2.466 ( 2.793 0.457 -0.163) 2.834 2.532 ( -0.241 -1.276 0.548) 1.409 2.547 ( -0.087 0.167 -2.236) 2.244 2.584 ( -3.381 3.165 -0.136) 4.633 2.631 ( -2.247 -2.947 0.348) 3.722 2.667 ( -1.942 -1.468 0.225) 2.445 2.711 ( -0.091 0.033 -0.263) 0.280 2.724 ( -0.896 -0.846 1.670) 2.075 2.765 ( -0.117 0.375 -0.105) 0.406 2.794 ( 1.475 -1.172 -0.636) 1.989 2.839 ( 0.619 -1.238 -1.789) 2.262 2.891 ( 0.650 -5.325 -0.983) 5.454 2.904 ( -0.339 -3.897 -2.238) 4.507 2.943 ( 0.930 -3.081 0.877) 3.335 2.962 ( 1.427 -2.739 -0.966) 3.236 3.083 ( -1.513 -5.574 0.127) 5.777 3.125 ( -0.887 -2.493 -0.203) 2.654 3.201 ( 0.173 -4.451 -3.133) 5.446 3.236 ( 2.029 -1.363 -0.248) 2.457 3.267 ( 0.044 -5.882 -0.090) 5.882 3.290 ( -1.213 -5.665 -0.260) 5.800 3.342 ( -0.988 -1.004 1.673) 2.187 3.386 ( 0.598 -1.503 0.957) 1.879 3.415 ( -0.382 -2.255 4.029) 4.633 3.464 ( -0.364 -2.950 -0.701) 3.054 3.483 ( -2.433 -2.063 1.868) 3.696 3.537 ( -0.722 -0.477 4.072) 4.163 3.567 ( -0.270 -2.621 0.881) 2.778 3.644 ( 0.029 -0.141 0.381) 0.408 3.657 ( -0.878 -2.625 -0.175) 2.774 3.723 ( -0.964 2.860 -0.198) 3.024 3.745 ( 0.320 1.991 -0.910) 2.213 3.805 ( 0.705 -0.033 -0.039) 0.706 3.840 ( -0.082 1.117 -1.834) 2.149 3.863 ( 0.626 -2.236 -0.394) 2.355 3.900 ( 0.406 -1.298 -1.547) 2.060 3.953 ( -0.589 0.157 1.197) 1.343 3.992 ( -0.494 0.731 0.025) 0.882 4.208 ( -0.096 2.096 -0.173) 2.105 4.258 ( 0.228 2.175 0.319) 2.210 4.304 ( 0.103 1.780 0.872) 1.985 4.321 ( -1.108 4.250 -1.632) 4.685 4.355 ( 0.528 2.834 0.836) 3.002 4.410 ( 0.168 3.258 -0.710) 3.338 5.282 ( -0.018 0.316 0.001) 0.317 ======================= Grid point 123 (47/117) ======================= q-point: (-0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 0.608 0.297 -1.920) 2.036 1.152 ( 0.342 -1.367 -1.832) 2.311 1.169 ( 1.740 1.040 -3.096) 3.700 1.184 ( -0.943 -0.175 2.267) 2.461 1.282 ( -1.308 0.627 1.481) 2.072 1.297 ( -0.609 1.415 3.302) 3.644 1.384 ( -1.766 -0.723 7.934) 8.160 1.411 ( -0.459 0.840 -1.255) 1.579 1.429 ( -1.415 -3.898 6.204) 7.463 1.474 ( -0.792 3.758 3.912) 5.482 1.508 ( -2.698 -1.153 4.309) 5.213 1.513 ( -1.632 1.245 -0.214) 2.064 1.543 ( 0.775 0.077 -0.619) 0.995 1.575 ( -0.854 -0.878 -1.823) 2.196 1.594 ( 1.481 -1.361 -0.381) 2.047 1.672 ( 1.812 -0.076 0.106) 1.816 1.702 ( -0.932 -1.082 -0.297) 1.459 1.751 ( 0.309 0.825 1.032) 1.357 1.781 ( 1.625 -0.621 -2.877) 3.362 1.834 ( -2.367 0.790 -1.302) 2.815 1.841 ( 2.637 -1.710 1.485) 3.476 1.880 ( 0.517 -1.145 -1.989) 2.352 1.914 ( -1.882 -3.331 -0.794) 3.908 1.942 ( 0.855 3.062 -0.460) 3.212 1.981 ( -0.834 2.565 0.166) 2.702 1.985 ( 1.379 3.081 0.217) 3.383 1.997 ( -1.336 -1.028 -0.669) 1.814 2.013 ( -0.319 -0.146 -0.816) 0.889 2.036 ( 0.200 -0.169 2.983) 2.994 2.051 ( 0.711 -1.008 1.670) 2.076 2.098 ( -0.810 0.475 -0.129) 0.948 2.128 ( 1.176 -0.518 -0.062) 1.287 2.140 ( -1.966 -0.761 -2.090) 2.968 2.162 ( 1.109 -1.750 0.655) 2.173 2.186 ( 0.276 -1.124 -0.795) 1.404 2.226 ( -0.371 2.636 0.365) 2.687 2.272 ( 1.351 -0.971 0.479) 1.731 2.285 ( -0.640 0.145 -1.128) 1.305 2.326 ( 1.916 3.266 -6.206) 7.270 2.335 ( 1.089 -1.174 -1.356) 2.098 2.343 ( 0.939 0.128 -1.318) 1.623 2.412 ( -1.533 1.310 1.504) 2.516 2.467 ( -0.331 -1.814 -1.024) 2.109 2.493 ( 1.388 -1.502 -1.065) 2.306 2.581 ( 2.059 -1.118 -3.816) 4.478 2.605 ( -0.189 -1.146 -0.952) 1.502 2.654 ( -0.148 -1.467 0.943) 1.751 2.664 ( -1.323 0.867 0.637) 1.705 2.693 ( 0.454 0.708 0.031) 0.842 2.723 ( -0.333 0.715 1.402) 1.609 2.770 ( 0.192 0.011 -0.651) 0.679 2.803 ( 0.230 -0.515 -1.173) 1.302 2.880 ( 1.198 -0.703 -2.822) 3.146 2.907 ( 1.031 0.686 0.582) 1.368 2.940 ( -1.161 1.210 -0.353) 1.714 2.966 ( -0.092 1.117 0.463) 1.212 3.016 ( 0.205 -0.416 -0.527) 0.702 3.152 ( 0.084 -1.147 0.513) 1.259 3.171 ( -0.824 -0.461 1.286) 1.596 3.221 ( 0.408 0.978 -0.747) 1.296 3.271 ( 0.961 -0.320 -2.620) 2.809 3.340 ( -0.998 -0.285 2.518) 2.724 3.353 ( -0.079 0.150 0.702) 0.722 3.361 ( -0.225 2.303 1.025) 2.530 3.378 ( -0.268 -1.477 -0.048) 1.502 3.473 ( -0.578 -1.969 1.834) 2.752 3.497 ( -1.099 0.209 3.031) 3.231 3.524 ( -0.682 0.237 1.781) 1.922 3.567 ( -0.228 -3.024 0.581) 3.088 3.609 ( -0.348 3.310 0.554) 3.374 3.643 ( 1.062 -1.104 -0.003) 1.532 3.656 ( -0.565 0.608 -1.181) 1.443 3.673 ( 0.228 0.064 -0.344) 0.418 3.700 ( 0.147 0.257 -0.410) 0.506 3.807 ( 0.488 0.320 -1.187) 1.323 3.831 ( 0.679 -0.335 -2.044) 2.180 3.914 ( -0.122 -0.032 0.471) 0.487 3.926 ( -0.254 0.794 0.595) 1.024 3.937 ( -0.119 -1.167 0.336) 1.220 4.003 ( -0.001 0.193 0.004) 0.193 4.184 ( -0.243 -0.763 0.008) 0.800 4.218 ( 0.634 0.405 0.312) 0.815 4.240 ( -0.322 0.669 -0.909) 1.174 4.292 ( 0.039 -0.599 0.549) 0.813 4.347 ( -0.121 -0.821 -0.293) 0.880 4.366 ( 0.240 0.756 -0.312) 0.852 5.279 ( 0.001 -0.006 -0.003) 0.006 ======================= Grid point 124 (48/117) ======================= q-point: (-0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 0.153 -0.061 0.188) 0.250 1.133 ( -0.820 0.989 -0.264) 1.311 1.162 ( -0.157 0.846 1.765) 1.963 1.211 ( -0.273 2.625 1.873) 3.236 1.229 ( 1.656 3.363 2.117) 4.305 1.269 ( -0.455 -0.031 -1.533) 1.599 1.319 ( -0.635 5.927 0.840) 6.020 1.334 ( -0.968 4.807 4.015) 6.338 1.407 ( -3.168 3.527 2.327) 5.281 1.443 ( -0.061 1.659 1.520) 2.251 1.461 ( 0.977 2.557 -2.088) 3.443 1.478 ( -1.015 6.028 -0.650) 6.148 1.537 ( 0.657 -0.073 4.444) 4.493 1.549 ( -1.512 1.866 -0.531) 2.460 1.653 ( 0.349 -4.095 0.311) 4.122 1.669 ( 0.659 5.716 1.479) 5.941 1.700 ( 0.956 0.782 -1.559) 1.989 1.750 ( 0.259 -0.737 -0.547) 0.954 1.776 ( 0.029 2.707 1.200) 2.961 1.802 ( 2.814 3.395 0.942) 4.509 1.828 ( 3.667 3.112 -0.344) 4.822 1.856 ( 1.175 2.187 1.915) 3.135 1.908 ( -4.220 0.976 1.306) 4.524 1.919 ( -1.697 1.538 -0.486) 2.341 1.922 ( 3.283 -0.202 0.032) 3.290 1.970 ( -1.083 -0.441 0.079) 1.172 1.986 ( -1.714 1.587 -2.161) 3.182 1.991 ( 0.153 -0.223 -1.286) 1.314 2.009 ( -0.375 -0.322 0.575) 0.758 2.063 ( 0.436 1.011 -0.276) 1.135 2.110 ( -1.610 2.872 -0.376) 3.314 2.141 ( -1.092 -0.868 -1.635) 2.149 2.147 ( 0.495 -2.207 1.416) 2.668 2.180 ( -0.009 -1.751 0.940) 1.987 2.211 ( -0.640 -3.788 0.220) 3.848 2.251 ( 1.786 -1.280 -1.078) 2.448 2.273 ( 2.413 2.123 -4.459) 5.496 2.296 ( -1.036 -1.919 1.692) 2.761 2.338 ( 0.972 -0.381 -0.601) 1.205 2.378 ( -0.011 -2.706 -0.976) 2.877 2.388 ( 1.368 -3.845 -3.961) 5.687 2.427 ( 0.011 -3.244 1.562) 3.600 2.511 ( -0.590 -0.740 -0.876) 1.290 2.536 ( -0.388 1.674 -1.656) 2.387 2.570 ( 1.399 -1.187 -2.156) 2.830 2.621 ( 2.274 1.244 0.662) 2.676 2.633 ( 0.731 0.337 0.472) 0.933 2.682 ( -0.139 0.740 1.256) 1.464 2.720 ( -0.921 -2.629 0.638) 2.857 2.735 ( 2.417 -2.113 -1.841) 3.701 2.761 ( 0.688 0.635 -0.978) 1.354 2.807 ( -1.725 0.052 -2.278) 2.858 2.830 ( 2.306 5.631 -0.154) 6.087 2.854 ( -0.602 4.114 1.456) 4.405 2.899 ( -0.205 3.845 0.235) 3.858 2.908 ( 0.980 2.321 -0.548) 2.578 2.972 ( -0.431 3.579 -1.334) 3.844 3.106 ( 0.670 5.353 -0.298) 5.403 3.138 ( -0.033 3.039 0.418) 3.068 3.188 ( 1.918 4.083 -1.914) 4.901 3.232 ( -0.565 3.029 -1.159) 3.292 3.259 ( 0.110 3.371 -0.365) 3.392 3.320 ( -0.320 3.662 1.820) 4.102 3.344 ( -0.026 1.971 0.794) 2.125 3.374 ( -0.793 3.186 -0.524) 3.324 3.423 ( -0.975 3.613 1.063) 3.890 3.479 ( -0.025 3.220 -0.053) 3.221 3.501 ( 0.267 0.804 3.061) 3.176 3.525 ( -2.468 1.175 3.657) 4.566 3.551 ( 0.196 1.501 1.937) 2.458 3.645 ( -0.032 0.967 0.137) 0.978 3.667 ( 0.211 1.325 -0.060) 1.343 3.726 ( 1.512 -1.984 -0.221) 2.504 3.748 ( -0.485 -4.170 -0.339) 4.212 3.809 ( -0.267 -1.029 -1.331) 1.704 3.836 ( 0.981 0.195 -0.335) 1.055 3.871 ( -0.343 1.804 -1.243) 2.217 3.892 ( 1.040 1.319 -1.404) 2.189 3.964 ( -0.660 0.288 1.122) 1.333 3.992 ( 0.512 -1.397 0.150) 1.495 4.220 ( -0.308 -2.410 -0.376) 2.459 4.246 ( 0.380 -1.149 0.018) 1.210 4.292 ( 0.273 -3.974 -0.128) 3.985 4.335 ( 0.153 -2.444 1.546) 2.896 4.373 ( -1.187 -3.469 -1.942) 4.148 4.398 ( 1.022 -3.131 0.121) 3.295 5.282 ( 0.010 -0.327 0.000) 0.327 ======================= Grid point 125 (49/117) ======================= q-point: (-0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -0.227 1.321 2.372) 2.724 1.050 ( 0.198 8.286 1.540) 8.430 1.090 ( 0.899 9.438 5.620) 11.021 1.139 ( 0.995 5.533 -0.868) 5.688 1.173 ( 2.209 0.927 -0.731) 2.504 1.184 ( -1.965 1.476 1.664) 2.968 1.200 ( -0.178 6.561 2.360) 6.975 1.255 ( -2.963 7.308 1.558) 8.038 1.320 ( 0.673 7.305 -1.313) 7.452 1.330 ( -3.265 4.763 -0.656) 5.812 1.404 ( 2.269 -0.558 -2.672) 3.549 1.459 ( -1.193 1.618 -2.602) 3.288 1.476 ( 1.101 4.328 4.296) 6.197 1.493 ( 0.463 3.270 -1.823) 3.773 1.550 ( -2.030 3.519 3.352) 5.267 1.592 ( 0.636 7.399 -2.885) 7.967 1.687 ( 0.029 0.900 1.511) 1.759 1.713 ( 0.752 2.317 3.869) 4.572 1.757 ( -0.022 1.546 -1.206) 1.961 1.759 ( 0.991 5.265 -1.814) 5.656 1.776 ( 0.671 1.344 0.233) 1.520 1.811 ( 0.596 3.490 -0.533) 3.580 1.866 ( 1.610 1.967 1.843) 3.140 1.888 ( -2.477 1.133 0.551) 2.779 1.918 ( -1.667 3.082 -0.221) 3.511 1.942 ( -0.644 0.406 -0.584) 0.960 1.981 ( -0.801 1.713 0.814) 2.059 2.015 ( 0.252 1.161 0.807) 1.436 2.031 ( 3.688 -1.203 -1.634) 4.209 2.040 ( 0.396 1.924 -0.842) 2.137 2.073 ( 0.138 1.167 1.258) 1.721 2.121 ( -1.186 3.229 -0.001) 3.440 2.138 ( -0.976 2.457 0.336) 2.665 2.205 ( 4.021 2.239 -2.306) 5.148 2.222 ( 0.648 2.709 0.432) 2.818 2.252 ( -0.457 -0.176 4.723) 4.749 2.269 ( -0.433 -0.370 0.456) 0.730 2.320 ( -1.672 -0.566 1.780) 2.507 2.336 ( -1.877 -1.485 -0.521) 2.449 2.395 ( 0.427 3.240 -2.284) 3.987 2.417 ( 0.050 -0.646 -1.537) 1.668 2.454 ( 0.229 0.933 -3.281) 3.419 2.484 ( 2.131 1.843 2.740) 3.930 2.533 ( 0.653 -0.635 -1.978) 2.178 2.553 ( 0.478 5.604 1.375) 5.789 2.580 ( -0.682 -1.667 -1.963) 2.664 2.615 ( 0.315 4.791 0.216) 4.806 2.646 ( 3.717 6.233 1.096) 7.340 2.697 ( -0.114 4.808 -0.082) 4.810 2.708 ( 1.739 -1.845 -2.104) 3.295 2.738 ( -2.714 3.912 -0.816) 4.831 2.752 ( 0.762 6.353 -2.737) 6.959 2.812 ( -0.039 -1.967 -3.468) 3.987 2.818 ( -0.503 2.885 -1.045) 3.109 2.845 ( 0.125 -2.668 1.264) 2.955 2.860 ( 1.051 0.003 0.387) 1.120 2.941 ( -1.662 0.277 0.719) 1.832 2.978 ( 1.558 4.706 -0.576) 4.991 3.023 ( 1.795 5.585 -2.471) 6.365 3.130 ( 1.697 0.442 -0.696) 1.887 3.176 ( 0.930 6.579 -2.324) 7.039 3.212 ( 0.397 0.745 -1.946) 2.121 3.241 ( -0.311 -2.676 -1.428) 3.049 3.290 ( 0.059 3.213 1.798) 3.682 3.328 ( -0.524 0.941 3.785) 3.936 3.371 ( -1.646 2.632 -0.509) 3.146 3.410 ( -0.215 2.656 -0.004) 2.665 3.492 ( -1.427 0.425 2.573) 2.973 3.506 ( 0.366 1.730 2.175) 2.803 3.539 ( -1.466 -0.708 6.208) 6.418 3.645 ( 0.780 -0.776 -0.093) 1.104 3.659 ( -0.651 -0.236 -0.200) 0.720 3.697 ( 0.574 2.262 0.719) 2.442 3.777 ( -0.082 -0.127 -0.053) 0.160 3.857 ( 1.513 -2.368 -2.250) 3.600 3.867 ( -0.066 -2.149 -1.143) 2.435 3.875 ( -0.235 -1.998 -0.855) 2.186 3.897 ( 1.009 -1.057 -1.650) 2.204 3.956 ( -0.796 -0.172 0.757) 1.111 4.029 ( 0.400 -1.744 -0.116) 1.793 4.247 ( -0.201 -0.749 -0.981) 1.250 4.286 ( 0.546 -1.868 0.630) 2.045 4.333 ( -0.394 -1.415 0.553) 1.569 4.392 ( 0.201 -2.034 -0.110) 2.047 4.460 ( -0.332 -4.548 -1.173) 4.709 4.478 ( 0.539 -3.724 -0.030) 3.763 5.292 ( 0.017 -0.649 0.011) 0.650 ======================= Grid point 126 (50/117) ======================= q-point: (-0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 0.897 13.725 3.812) 14.273 0.846 ( 0.246 14.290 4.631) 15.024 0.924 ( -0.664 2.891 0.349) 2.987 0.994 ( -2.549 7.919 -2.007) 8.558 1.035 ( 1.327 5.311 0.201) 5.478 1.090 ( 0.119 6.253 0.055) 6.254 1.128 ( -0.827 5.189 -1.526) 5.472 1.195 ( 0.688 1.238 -2.522) 2.893 1.224 ( -4.793 1.572 2.992) 5.865 1.260 ( 2.568 0.270 3.621) 4.448 1.351 ( 2.535 3.730 -1.081) 4.638 1.365 ( -3.127 7.682 5.221) 9.801 1.393 ( 0.190 3.624 -4.853) 6.060 1.448 ( 0.220 4.323 0.744) 4.392 1.465 ( 1.160 8.568 -1.479) 8.772 1.520 ( -1.042 5.657 2.197) 6.157 1.546 ( 1.850 9.287 2.868) 9.894 1.596 ( 0.302 9.369 -1.139) 9.443 1.625 ( 0.409 7.161 -0.036) 7.173 1.669 ( 0.880 5.224 2.444) 5.834 1.716 ( 1.518 4.944 -1.460) 5.374 1.728 ( -0.641 7.855 1.408) 8.006 1.771 ( 0.189 7.041 -0.855) 7.095 1.804 ( -2.346 3.674 1.219) 4.526 1.839 ( -0.396 2.716 1.418) 3.090 1.891 ( -1.420 5.747 1.091) 6.020 1.904 ( 0.451 2.074 -0.002) 2.123 1.960 ( 1.916 3.595 1.977) 4.528 1.989 ( 0.449 0.326 -1.929) 2.007 2.028 ( -2.042 0.590 -3.941) 4.478 2.030 ( 0.693 5.573 1.283) 5.760 2.064 ( 0.604 0.273 -1.741) 1.863 2.124 ( 0.399 3.584 -1.354) 3.852 2.181 ( 0.608 0.129 1.189) 1.341 2.186 ( 1.588 0.365 -1.743) 2.386 2.227 ( 0.502 1.599 -0.925) 1.914 2.267 ( 1.754 3.695 -0.645) 4.141 2.306 ( -1.543 2.942 2.630) 4.237 2.326 ( -2.364 4.771 -0.355) 5.336 2.332 ( 0.268 0.592 0.602) 0.886 2.367 ( 0.249 3.431 2.032) 3.996 2.399 ( -2.586 5.770 -2.870) 6.944 2.443 ( 0.154 3.774 0.513) 3.811 2.467 ( -1.311 1.005 -3.212) 3.612 2.484 ( -2.649 5.012 0.352) 5.679 2.502 ( 0.283 0.028 0.821) 0.869 2.523 ( 1.853 4.789 -0.547) 5.164 2.571 ( 3.522 5.099 0.489) 6.216 2.579 ( 1.412 4.390 -0.402) 4.628 2.668 ( -1.414 -2.803 -1.733) 3.585 2.685 ( 4.652 2.466 2.963) 6.041 2.749 ( 0.714 1.564 2.319) 2.887 2.784 ( 0.177 0.195 -3.350) 3.360 2.841 ( -0.299 -2.691 -2.341) 3.580 2.876 ( 0.239 -2.706 -1.425) 3.068 2.890 ( -2.239 -0.790 -1.042) 2.593 2.934 ( 0.499 -1.667 0.160) 1.748 2.971 ( -0.857 -1.233 -0.328) 1.537 2.996 ( 1.750 -0.487 -0.411) 1.862 3.096 ( 1.836 0.784 -4.895) 5.286 3.143 ( 0.944 -0.205 0.458) 1.069 3.219 ( 0.835 -0.729 -2.966) 3.166 3.246 ( -1.579 -0.175 2.239) 2.745 3.298 ( -0.286 2.193 2.558) 3.381 3.325 ( -1.907 -0.684 -1.351) 2.435 3.347 ( 1.165 -3.580 0.055) 3.765 3.364 ( -1.600 1.015 0.023) 1.895 3.468 ( 0.300 1.843 1.666) 2.502 3.489 ( -0.994 0.028 2.107) 2.329 3.560 ( -2.190 -0.818 6.430) 6.842 3.649 ( -0.248 -0.254 -0.113) 0.373 3.676 ( -0.082 -0.713 1.592) 1.746 3.702 ( -0.023 -2.966 -0.182) 2.972 3.795 ( -0.404 -1.489 0.169) 1.552 3.889 ( 0.952 0.140 -1.518) 1.798 3.891 ( 0.433 -1.222 -1.994) 2.378 3.916 ( 1.214 -1.034 -1.361) 2.096 3.931 ( 0.196 -2.646 -1.726) 3.165 3.966 ( -1.478 -0.665 1.613) 2.286 4.069 ( 0.256 -2.053 -1.626) 2.631 4.265 ( 0.257 -1.416 -0.922) 1.709 4.326 ( -0.231 -2.310 0.429) 2.361 4.358 ( -0.373 -0.909 -0.009) 0.983 4.413 ( 0.251 0.065 -0.434) 0.506 4.531 ( 0.008 -2.273 -0.765) 2.398 4.537 ( 0.266 -1.872 -0.594) 1.982 5.308 ( 0.007 -0.870 0.015) 0.870 ======================= Grid point 129 (51/117) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 9.683 -0.000 12.540) 15.844 0.500 ( 8.775 -0.000 15.041) 17.414 0.713 ( -7.913 0.000 5.257) 9.500 0.812 ( 8.477 -0.000 17.787) 19.704 0.822 ( -12.809 0.000 -4.251) 13.496 0.874 ( 0.121 -0.000 -8.828) 8.829 0.961 ( 4.232 -0.000 -5.720) 7.115 1.000 ( -0.550 0.000 0.379) 0.667 1.023 ( 3.700 -0.000 -1.693) 4.069 1.120 ( 0.659 -0.000 -0.021) 0.660 1.146 ( 0.837 -0.000 1.732) 1.924 1.215 ( -0.610 0.000 -1.441) 1.565 1.230 ( -0.797 0.000 2.523) 2.646 1.256 ( 2.424 -0.000 -1.487) 2.844 1.291 ( 3.145 -0.000 1.220) 3.373 1.396 ( -2.300 0.000 -2.843) 3.657 1.398 ( -0.501 0.000 0.208) 0.543 1.430 ( -3.965 0.000 1.142) 4.126 1.460 ( 2.898 -0.000 -2.169) 3.620 1.498 ( -2.682 0.000 0.238) 2.693 1.529 ( 0.317 -0.000 0.738) 0.803 1.530 ( -8.680 0.000 1.271) 8.772 1.575 ( 1.864 -0.000 -4.728) 5.083 1.587 ( -1.412 0.000 0.166) 1.422 1.685 ( -3.073 0.000 2.295) 3.835 1.725 ( 3.618 -0.000 0.466) 3.648 1.836 ( -0.540 0.000 0.223) 0.584 1.846 ( 2.347 -0.000 0.718) 2.454 1.916 ( 1.795 -0.000 4.542) 4.884 1.923 ( -1.807 0.000 -0.981) 2.056 1.927 ( -0.715 0.000 -3.895) 3.960 2.033 ( -2.518 0.000 -6.328) 6.810 2.042 ( 3.283 -0.000 -0.172) 3.287 2.075 ( -1.480 0.000 2.786) 3.155 2.134 ( -0.341 0.000 2.517) 2.540 2.142 ( 0.165 -0.000 -4.255) 4.258 2.181 ( -0.453 0.000 -4.094) 4.119 2.182 ( 0.557 -0.000 1.019) 1.161 2.236 ( 0.791 -0.000 0.363) 0.870 2.250 ( -0.346 0.000 2.362) 2.387 2.279 ( -1.285 0.000 -1.527) 1.996 2.338 ( 0.249 -0.000 -4.014) 4.022 2.386 ( -2.374 0.000 -0.723) 2.482 2.392 ( 0.104 -0.000 -0.064) 0.123 2.416 ( 1.278 -0.000 -0.255) 1.303 2.433 ( -2.455 0.000 1.869) 3.086 2.531 ( 0.908 -0.000 -3.391) 3.510 2.556 ( 2.388 -0.000 -1.466) 2.802 2.595 ( -1.245 0.000 -0.399) 1.307 2.700 ( 4.071 -0.000 -1.096) 4.216 2.719 ( -3.773 0.000 8.716) 9.497 2.786 ( 3.980 -0.000 8.111) 9.035 2.815 ( -2.715 0.000 -2.794) 3.896 2.868 ( -1.141 0.000 0.477) 1.236 2.886 ( -0.492 0.000 -0.345) 0.601 2.936 ( -2.191 0.000 -1.541) 2.678 2.936 ( -1.242 0.000 -0.710) 1.431 2.977 ( -0.330 0.000 -1.004) 1.057 3.084 ( 2.648 -0.000 -3.652) 4.511 3.106 ( -4.811 0.000 0.239) 4.817 3.146 ( -1.656 0.000 -5.036) 5.301 3.175 ( -0.285 0.000 -0.206) 0.352 3.196 ( -1.314 0.000 1.029) 1.669 3.263 ( -0.162 0.000 1.715) 1.723 3.298 ( -0.314 0.000 -2.727) 2.745 3.362 ( -0.478 0.000 0.841) 0.968 3.421 ( -3.285 0.000 0.008) 3.285 3.480 ( -0.878 0.000 0.433) 0.979 3.509 ( -1.700 0.000 4.691) 4.989 3.564 ( -2.374 0.000 2.738) 3.624 3.682 ( -0.750 0.000 1.264) 1.470 3.711 ( -3.109 0.000 1.925) 3.657 3.776 ( -0.317 0.000 -1.134) 1.177 3.834 ( -0.237 0.000 0.090) 0.253 3.847 ( 0.284 -0.000 -0.020) 0.285 3.861 ( 0.638 -0.000 -1.894) 1.998 3.931 ( -1.474 0.000 0.005) 1.474 3.978 ( -1.835 0.000 1.455) 2.342 4.032 ( 2.996 -0.000 -1.485) 3.344 4.116 ( -1.965 0.000 -2.651) 3.300 4.349 ( -0.007 0.000 -1.323) 1.323 4.353 ( -0.093 0.000 -0.144) 0.171 4.356 ( -0.040 0.000 0.141) 0.147 4.410 ( -2.073 0.000 -2.124) 2.968 4.533 ( 0.099 -0.000 0.147) 0.177 4.549 ( -0.002 0.000 -0.181) 0.181 5.332 ( -0.238 0.000 -0.035) 0.240 ======================= Grid point 130 (52/117) ======================= q-point: ( 0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 5.336 -9.409 8.025) 13.468 0.652 ( 7.310 -9.798 10.367) 16.028 0.759 ( -6.605 -7.135 2.149) 9.958 0.799 ( -5.807 -3.903 -1.987) 7.273 0.920 ( -2.506 -3.269 -6.725) 7.886 0.968 ( -2.638 -2.866 -5.874) 7.048 1.055 ( 1.586 -4.098 1.702) 4.712 1.122 ( 6.057 -16.451 7.182) 18.945 1.157 ( 3.569 -4.057 -2.840) 6.104 1.183 ( 0.692 -2.967 3.108) 4.352 1.197 ( 2.232 -7.710 2.072) 8.289 1.237 ( -1.014 -5.935 0.578) 6.048 1.280 ( 1.124 -5.854 0.056) 5.962 1.343 ( 1.073 -4.391 0.806) 4.592 1.368 ( -0.425 -4.336 -0.021) 4.357 1.404 ( -1.501 -4.912 -2.372) 5.658 1.449 ( -0.288 -0.147 2.313) 2.336 1.490 ( -3.075 -6.673 1.655) 7.532 1.517 ( -1.443 -8.138 1.494) 8.399 1.528 ( 1.669 -0.490 -3.510) 3.918 1.578 ( -0.898 -8.440 0.568) 8.507 1.611 ( -0.849 -6.502 1.928) 6.834 1.639 ( 2.401 -3.568 -2.072) 4.774 1.671 ( -2.963 -9.384 -4.563) 10.847 1.730 ( -7.115 -4.068 2.951) 8.711 1.753 ( 3.301 -3.393 -0.771) 4.796 1.842 ( -0.721 -2.427 -0.953) 2.705 1.897 ( -0.905 -2.258 0.379) 2.462 1.921 ( -0.105 -0.141 -0.838) 0.856 1.950 ( 0.618 -1.815 -3.230) 3.756 2.010 ( 0.660 -1.536 0.091) 1.674 2.031 ( -3.375 -1.911 0.200) 3.883 2.044 ( 0.789 -4.305 -0.118) 4.378 2.095 ( 0.434 -0.954 -2.699) 2.895 2.118 ( -2.158 -3.357 2.888) 4.926 2.194 ( 0.288 -1.944 0.382) 2.002 2.205 ( -0.576 -1.536 -4.001) 4.325 2.226 ( -0.157 -2.865 -3.309) 4.380 2.259 ( -0.148 -2.657 -1.081) 2.873 2.289 ( 1.066 -2.635 0.270) 2.855 2.312 ( -2.230 -0.176 2.380) 3.266 2.347 ( 0.152 -2.880 -1.757) 3.377 2.366 ( 0.211 -3.818 -1.022) 3.958 2.406 ( -0.706 0.806 2.178) 2.427 2.431 ( -1.133 -0.762 -4.376) 4.584 2.463 ( -0.116 -3.536 -0.623) 3.592 2.496 ( -0.311 1.881 0.297) 1.929 2.537 ( -1.133 2.146 -0.677) 2.519 2.584 ( 1.327 0.298 0.755) 1.555 2.689 ( 1.748 -3.472 2.653) 4.706 2.716 ( -0.000 2.067 0.313) 2.091 2.774 ( 2.237 1.848 3.605) 4.628 2.819 ( -0.459 2.370 -0.707) 2.515 2.873 ( 2.078 -1.102 1.125) 2.607 2.890 ( -0.629 2.638 0.845) 2.841 2.904 ( -2.484 2.069 -0.957) 3.371 2.940 ( -4.709 2.247 -1.687) 5.483 2.953 ( 0.078 -1.207 -0.741) 1.418 3.042 ( 1.910 0.098 0.646) 2.019 3.082 ( -1.822 0.957 -4.378) 4.838 3.124 ( -2.517 -0.344 -1.925) 3.188 3.211 ( -3.511 -1.400 -1.777) 4.177 3.216 ( 1.211 0.030 -2.814) 3.064 3.267 ( -2.105 -0.777 2.906) 3.672 3.294 ( 0.236 -0.287 -0.796) 0.878 3.344 ( -0.183 1.240 1.520) 1.970 3.405 ( -3.224 0.770 0.127) 3.317 3.460 ( -0.648 1.567 0.261) 1.716 3.493 ( -1.257 0.989 3.467) 3.818 3.563 ( -2.383 -0.207 4.786) 5.350 3.659 ( -1.213 1.605 0.518) 2.077 3.692 ( -2.333 0.949 2.226) 3.361 3.750 ( -0.652 2.284 -0.231) 2.387 3.820 ( -0.680 1.832 -0.296) 1.977 3.871 ( 0.523 -2.006 -0.571) 2.150 3.881 ( 0.270 -0.621 -2.285) 2.383 3.923 ( -0.746 0.248 -1.165) 1.406 3.965 ( -2.299 0.581 2.748) 3.630 4.003 ( 2.503 2.729 -1.682) 4.067 4.080 ( -2.006 1.962 -2.783) 3.952 4.303 ( -0.273 2.587 -1.484) 2.995 4.359 ( -0.084 -0.120 -0.005) 0.147 4.364 ( -1.712 2.652 -0.032) 3.157 4.391 ( 0.064 -1.903 -0.371) 1.940 4.548 ( 0.079 -0.204 -0.780) 0.810 4.552 ( 0.140 -0.109 -0.371) 0.412 5.324 ( -0.198 0.682 -0.008) 0.710 ======================= Grid point 131 (53/117) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 0.086 -8.600 -0.274) 8.605 0.889 ( 2.762 -9.967 2.834) 10.723 0.920 ( -1.735 -10.028 4.787) 11.246 0.955 ( -4.072 -8.736 0.184) 9.640 1.010 ( -1.579 -9.070 2.207) 9.468 1.049 ( -1.082 -6.316 -4.583) 7.878 1.112 ( 0.361 -5.290 0.716) 5.350 1.178 ( -2.295 -0.212 2.491) 3.394 1.236 ( 3.184 -1.300 -2.240) 4.104 1.317 ( 2.197 -3.174 1.654) 4.199 1.336 ( -1.676 -1.540 -3.119) 3.861 1.372 ( -0.217 -4.859 2.410) 5.428 1.425 ( 2.942 -3.341 2.556) 5.133 1.437 ( -0.622 -3.245 -0.418) 3.330 1.466 ( 0.727 -5.114 -2.846) 5.898 1.530 ( -0.064 -4.019 0.369) 4.037 1.578 ( -0.053 -9.294 -0.172) 9.296 1.586 ( -2.756 -4.628 -0.247) 5.392 1.621 ( 0.976 -12.676 2.629) 12.982 1.665 ( -2.513 -4.234 -1.427) 5.126 1.717 ( 1.280 -3.763 3.899) 5.568 1.744 ( -0.208 -3.014 -1.128) 3.225 1.777 ( -1.092 -5.113 3.111) 6.084 1.783 ( 0.162 -6.201 -1.953) 6.503 1.858 ( 1.463 -6.330 1.894) 6.767 1.875 ( 0.293 -4.885 -1.286) 5.060 1.923 ( 0.952 -5.415 0.257) 5.504 1.952 ( -3.897 -7.015 -0.187) 8.027 1.976 ( 0.670 -3.436 -3.082) 4.665 1.996 ( -1.752 -4.478 2.006) 5.210 2.031 ( -0.971 0.498 -0.093) 1.095 2.058 ( 1.074 -4.859 1.737) 5.271 2.104 ( -1.165 -4.625 -3.493) 5.912 2.144 ( -1.179 -2.094 -0.675) 2.496 2.187 ( -2.988 -1.028 -2.787) 4.213 2.215 ( -1.197 -0.453 0.654) 1.438 2.243 ( -1.355 -4.403 -2.265) 5.134 2.296 ( 2.660 -1.940 -0.990) 3.437 2.312 ( -0.523 -1.407 0.093) 1.504 2.342 ( -1.176 -2.464 1.932) 3.344 2.350 ( -0.905 -3.387 2.040) 4.056 2.388 ( -0.612 1.037 3.362) 3.571 2.419 ( -1.021 -2.639 -3.241) 4.303 2.428 ( -0.781 -3.784 -2.198) 4.445 2.458 ( -0.163 -4.679 0.795) 4.749 2.514 ( -0.894 -2.471 3.220) 4.156 2.533 ( 0.227 -4.227 -2.316) 4.825 2.575 ( -0.339 -6.379 -2.008) 6.696 2.618 ( 0.638 -1.162 -1.307) 1.861 2.658 ( 0.109 1.931 -0.744) 2.072 2.751 ( -3.447 2.418 -1.203) 4.379 2.763 ( 2.454 2.522 2.614) 4.383 2.783 ( 1.159 1.095 -0.006) 1.594 2.812 ( 0.731 -1.099 -1.727) 2.174 2.843 ( -1.295 -1.280 -0.178) 1.829 2.867 ( 1.060 3.286 -0.224) 3.460 2.913 ( -1.570 -1.384 -1.447) 2.544 2.958 ( -0.574 0.294 -0.110) 0.654 3.028 ( 1.343 1.477 -0.903) 2.191 3.082 ( 0.596 -0.830 -5.172) 5.272 3.144 ( -2.338 -0.878 -1.192) 2.767 3.187 ( 1.077 1.942 -4.411) 4.938 3.231 ( -1.062 -2.759 1.484) 3.308 3.287 ( -2.528 -1.014 0.179) 2.730 3.315 ( -0.878 -1.496 2.536) 3.073 3.335 ( -0.566 -0.803 2.918) 3.079 3.360 ( 1.111 2.911 -0.151) 3.119 3.444 ( -2.855 -0.954 0.843) 3.126 3.483 ( -1.888 0.064 3.035) 3.575 3.560 ( -2.175 0.438 5.767) 6.179 3.630 ( -1.245 0.804 0.631) 1.610 3.663 ( -1.654 0.895 0.289) 1.903 3.699 ( -0.251 1.975 0.274) 2.010 3.777 ( -1.226 1.803 0.583) 2.257 3.870 ( -0.141 0.999 -2.165) 2.388 3.898 ( 0.202 -0.376 -1.381) 1.445 3.906 ( -0.144 1.056 -0.925) 1.411 3.935 ( -0.681 2.726 -0.270) 2.823 3.965 ( 1.752 0.821 0.094) 1.938 4.040 ( -1.829 1.353 -1.147) 2.548 4.261 ( 0.058 1.266 -0.958) 1.589 4.315 ( -1.003 1.561 0.841) 2.037 4.353 ( -0.055 0.838 0.033) 0.840 4.413 ( 0.050 0.008 -0.508) 0.510 4.527 ( 0.209 2.390 -0.630) 2.481 4.536 ( 0.037 1.648 -0.372) 1.690 5.307 ( -0.108 0.826 0.005) 0.833 ======================= Grid point 132 (54/117) ======================= q-point: ( 0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -1.385 -2.427 1.834) 3.342 1.064 ( -1.284 -6.953 -0.428) 7.083 1.098 ( -1.175 -4.805 1.277) 5.109 1.121 ( -1.808 -7.473 1.123) 7.771 1.172 ( -0.324 -3.086 0.993) 3.258 1.203 ( -1.722 -7.317 0.860) 7.566 1.223 ( -1.430 -8.511 3.397) 9.275 1.243 ( 0.219 -3.351 2.378) 4.115 1.290 ( 4.005 -4.588 -1.366) 6.241 1.368 ( 1.537 -6.515 0.190) 6.697 1.408 ( 1.255 -1.197 -3.718) 4.102 1.434 ( 0.830 -0.432 -2.096) 2.295 1.460 ( -2.188 -3.322 0.452) 4.003 1.518 ( 0.406 -1.706 3.097) 3.559 1.538 ( 0.155 -4.038 0.827) 4.125 1.583 ( 0.394 -5.196 -1.286) 5.367 1.639 ( -3.897 -2.541 0.019) 4.653 1.693 ( -0.598 0.495 1.614) 1.791 1.732 ( -3.256 -3.428 -0.270) 4.736 1.749 ( -1.666 -1.438 -1.093) 2.457 1.779 ( 1.401 -5.367 1.417) 5.725 1.810 ( -3.042 -0.231 3.346) 4.528 1.832 ( -0.691 -0.164 -1.826) 1.959 1.860 ( 1.822 -1.121 -0.401) 2.176 1.908 ( 0.519 -5.599 -0.251) 5.629 1.956 ( 1.138 -1.175 0.790) 1.817 1.979 ( -1.487 0.091 1.994) 2.489 2.015 ( -1.085 -0.899 0.033) 1.409 2.060 ( 0.140 -1.436 -0.939) 1.721 2.064 ( -0.809 -3.218 1.856) 3.802 2.120 ( 2.726 -0.087 -0.485) 2.771 2.132 ( 2.120 -2.494 -1.920) 3.795 2.167 ( -0.253 -1.547 0.519) 1.651 2.190 ( -2.715 -0.007 -3.691) 4.582 2.217 ( 1.085 -0.822 -0.042) 1.362 2.256 ( 1.966 -3.590 0.263) 4.101 2.290 ( 1.296 -0.330 -1.675) 2.143 2.300 ( -0.892 1.297 1.198) 1.978 2.352 ( -5.431 -3.136 0.715) 6.312 2.364 ( 0.397 -0.497 0.604) 0.877 2.398 ( 1.099 -5.995 4.016) 7.299 2.434 ( 1.005 -2.129 -2.571) 3.487 2.463 ( -1.020 1.266 -1.319) 2.093 2.504 ( -1.425 -5.207 0.358) 5.410 2.534 ( -1.471 4.895 -2.171) 5.553 2.566 ( -0.801 -6.044 1.092) 6.194 2.610 ( -0.837 0.852 0.630) 1.350 2.636 ( -1.597 -6.225 -2.815) 7.016 2.647 ( -1.000 0.378 -2.398) 2.626 2.703 ( 0.416 -6.191 0.325) 6.213 2.706 ( -0.762 -5.074 -0.010) 5.131 2.766 ( 0.226 1.928 -1.396) 2.391 2.780 ( 1.234 -0.532 -0.241) 1.365 2.827 ( -0.255 -1.357 2.631) 2.971 2.861 ( -0.694 -1.911 -1.061) 2.293 2.881 ( 2.619 -1.914 -2.962) 4.392 2.901 ( -0.371 -0.768 1.023) 1.332 3.001 ( 0.064 -2.335 -2.375) 3.332 3.069 ( 1.974 -5.364 -1.896) 6.022 3.104 ( -1.061 -1.152 -3.137) 3.506 3.148 ( -1.165 -3.248 -1.328) 3.697 3.190 ( 0.359 -2.812 -2.397) 3.712 3.256 ( 1.591 2.037 -0.275) 2.599 3.305 ( -0.671 -3.266 1.095) 3.509 3.336 ( -1.456 -1.405 2.034) 2.869 3.373 ( 0.161 -2.590 2.272) 3.449 3.386 ( 0.567 -3.860 1.202) 4.083 3.461 ( -2.215 -0.701 1.433) 2.729 3.495 ( -2.350 -2.095 3.443) 4.665 3.550 ( -1.944 0.232 4.803) 5.187 3.620 ( -1.195 -0.508 0.461) 1.378 3.652 ( 0.029 0.814 -0.337) 0.881 3.695 ( -0.949 -2.298 0.355) 2.511 3.753 ( -0.827 0.228 0.126) 0.867 3.841 ( 0.406 1.783 -1.803) 2.568 3.870 ( 0.843 2.212 -1.360) 2.730 3.876 ( 0.018 1.973 -0.326) 2.000 3.898 ( -0.019 0.622 -1.708) 1.818 3.956 ( 0.749 0.516 0.655) 1.121 4.011 ( -1.272 0.906 0.070) 1.564 4.242 ( 0.454 0.984 -0.395) 1.153 4.290 ( -0.572 1.020 0.008) 1.169 4.326 ( -0.291 1.495 0.819) 1.730 4.388 ( -0.182 2.233 -0.401) 2.276 4.452 ( 0.378 4.818 -0.276) 4.841 4.483 ( 0.044 3.419 -0.516) 3.458 5.292 ( -0.046 0.624 0.005) 0.626 ======================= Grid point 133 (55/117) ======================= q-point: (-0.40 -0.80 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -0.250 0.110 -0.204) 0.341 1.130 ( 0.413 -0.351 0.376) 0.660 1.166 ( -1.084 -2.181 0.520) 2.490 1.183 ( 0.984 -1.820 0.300) 2.091 1.256 ( -3.048 -2.350 2.834) 4.780 1.304 ( 0.072 -5.556 2.501) 6.093 1.317 ( 1.759 0.953 -4.358) 4.795 1.356 ( -1.613 -3.740 3.136) 5.141 1.377 ( -2.252 -4.436 5.301) 7.270 1.438 ( 2.299 -4.931 2.181) 5.861 1.477 ( 0.688 -4.220 -1.729) 4.613 1.499 ( -4.354 -1.645 -0.093) 4.656 1.525 ( 1.402 -1.762 0.664) 2.347 1.555 ( -0.099 -1.357 1.250) 1.848 1.561 ( 0.739 -0.752 2.012) 2.271 1.662 ( -1.613 -1.894 -1.322) 2.817 1.691 ( -4.215 -1.056 0.125) 4.347 1.753 ( 1.038 -0.536 -0.318) 1.210 1.773 ( 0.736 -4.529 2.024) 5.015 1.789 ( 0.028 -1.691 -1.742) 2.428 1.797 ( -0.825 -3.666 0.057) 3.758 1.820 ( -0.015 -0.438 -0.990) 1.083 1.843 ( -1.276 -2.515 -2.130) 3.534 1.927 ( -0.517 -3.451 2.239) 4.146 1.953 ( -0.100 -0.084 0.116) 0.175 1.985 ( -0.388 -1.672 0.357) 1.753 1.996 ( 0.844 -1.427 4.473) 4.771 2.029 ( -2.016 -1.032 -0.206) 2.274 2.053 ( 1.408 1.393 0.006) 1.980 2.072 ( 1.191 0.383 -0.689) 1.428 2.104 ( 0.230 4.394 0.565) 4.436 2.126 ( -1.032 1.838 -0.529) 2.173 2.160 ( 3.510 2.134 -1.299) 4.309 2.183 ( 0.155 -0.437 0.166) 0.492 2.201 ( 1.166 -1.040 -2.011) 2.546 2.250 ( -1.191 3.051 -0.014) 3.276 2.274 ( -0.468 1.375 0.045) 1.453 2.306 ( 1.017 -1.137 -3.573) 3.885 2.341 ( -0.561 2.065 -3.318) 3.948 2.353 ( -0.996 3.044 0.213) 3.209 2.410 ( 1.924 1.712 -0.746) 2.681 2.437 ( -0.449 1.042 -1.182) 1.638 2.485 ( 3.183 1.403 0.403) 3.501 2.530 ( -0.466 -2.413 0.320) 2.478 2.545 ( 0.725 1.326 -1.646) 2.234 2.566 ( -2.102 2.708 -0.422) 3.454 2.612 ( -3.460 -2.390 -1.250) 4.387 2.662 ( 0.020 -2.425 0.406) 2.459 2.709 ( -0.694 0.362 1.532) 1.721 2.726 ( 0.435 -1.442 1.591) 2.190 2.763 ( -0.343 0.023 -0.220) 0.408 2.797 ( 0.671 -1.964 -2.774) 3.465 2.840 ( 0.877 -0.557 -1.120) 1.528 2.890 ( -0.229 -4.612 -1.576) 4.880 2.899 ( 0.209 -4.344 -1.202) 4.512 2.943 ( -1.168 -2.456 0.551) 2.775 2.971 ( 1.926 -3.635 -1.020) 4.239 3.076 ( -0.802 -5.051 0.298) 5.123 3.120 ( -0.318 -2.697 -0.183) 2.722 3.195 ( 0.043 -4.763 -3.201) 5.739 3.247 ( 1.794 -0.850 -0.322) 2.011 3.264 ( -0.812 -6.454 -0.385) 6.516 3.288 ( 0.284 -5.259 0.584) 5.299 3.339 ( -0.988 -1.307 1.711) 2.369 3.388 ( 0.120 -1.511 0.078) 1.518 3.424 ( 0.077 -2.209 4.627) 5.128 3.461 ( -0.595 -2.197 0.231) 2.288 3.475 ( -1.306 -2.795 1.353) 3.369 3.540 ( -1.335 0.067 3.895) 4.118 3.566 ( -0.555 -3.566 0.559) 3.652 3.646 ( 0.339 -0.204 0.473) 0.616 3.652 ( -0.854 -2.571 -0.071) 2.710 3.717 ( -0.692 2.351 -0.439) 2.489 3.745 ( 0.380 1.932 -0.847) 2.143 3.810 ( 0.781 -0.129 0.134) 0.802 3.835 ( -0.122 1.095 -1.969) 2.256 3.867 ( 0.736 -1.827 -0.319) 1.995 3.898 ( 0.058 -1.426 -1.522) 2.086 3.954 ( -0.099 0.322 1.185) 1.232 3.989 ( -0.565 0.529 -0.040) 0.775 4.208 ( 0.191 2.286 0.097) 2.296 4.259 ( -0.056 1.733 -0.126) 1.738 4.306 ( 0.046 1.133 1.090) 1.573 4.312 ( -0.833 4.958 -1.390) 5.216 4.360 ( 0.808 2.960 0.868) 3.189 4.409 ( -0.063 3.267 -0.938) 3.400 5.282 ( -0.011 0.311 0.001) 0.311 ======================= Grid point 134 (56/117) ======================= q-point: (-0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 0.668 0.229 -1.900) 2.026 1.151 ( 0.589 -0.589 -1.414) 1.641 1.170 ( 0.853 1.135 -3.661) 3.926 1.186 ( -0.271 -0.802 2.412) 2.557 1.281 ( -0.469 0.185 2.833) 2.877 1.301 ( -0.100 1.220 2.281) 2.589 1.388 ( -2.458 -0.405 7.745) 8.135 1.403 ( -2.096 0.941 1.418) 2.700 1.433 ( -1.143 -2.392 3.533) 4.417 1.473 ( -2.007 2.930 3.402) 4.918 1.491 ( -3.163 -1.415 1.471) 3.764 1.513 ( 0.260 -0.407 1.672) 1.740 1.548 ( 1.481 1.137 -1.104) 2.170 1.568 ( -0.729 -0.448 -0.293) 0.904 1.602 ( 1.195 -0.366 -0.182) 1.263 1.688 ( 2.863 -2.064 1.018) 3.674 1.694 ( -1.360 -1.573 -0.389) 2.116 1.756 ( 1.064 0.911 0.883) 1.656 1.782 ( 0.097 -1.172 -3.737) 3.918 1.819 ( -1.709 0.191 -1.599) 2.348 1.856 ( 1.229 -1.512 2.153) 2.903 1.884 ( 2.334 -2.597 -1.028) 3.639 1.903 ( -1.249 -3.276 -1.497) 3.813 1.945 ( 0.005 2.547 -0.162) 2.552 1.969 ( -2.206 3.800 -0.777) 4.462 1.987 ( -0.919 2.633 0.979) 2.956 1.993 ( 0.456 0.265 -0.706) 0.881 2.015 ( 0.996 1.788 -0.476) 2.101 2.043 ( 0.144 -0.509 2.061) 2.128 2.057 ( -0.065 -0.906 1.228) 1.528 2.095 ( -0.035 -1.274 0.425) 1.344 2.123 ( -1.757 -0.830 -1.062) 2.215 2.136 ( 1.028 -0.046 -0.638) 1.211 2.172 ( 1.896 -1.936 0.128) 2.713 2.187 ( 0.220 -0.401 -0.359) 0.581 2.226 ( 0.034 3.001 0.460) 3.036 2.279 ( -1.029 0.874 -0.298) 1.383 2.282 ( 1.944 -1.237 -0.221) 2.315 2.320 ( 0.534 4.042 -5.417) 6.780 2.332 ( -0.847 -1.148 -1.336) 1.955 2.346 ( 1.326 -1.517 -2.847) 3.488 2.412 ( 0.125 0.666 1.752) 1.879 2.463 ( -0.048 -1.187 -0.754) 1.407 2.496 ( 0.710 -1.176 -1.759) 2.232 2.579 ( 0.471 -0.460 -4.458) 4.506 2.609 ( 1.664 -2.818 0.055) 3.273 2.651 ( -0.722 -2.896 -0.443) 3.017 2.661 ( -0.898 1.547 1.872) 2.589 2.694 ( -0.071 0.477 0.458) 0.665 2.730 ( 1.056 1.070 2.451) 2.875 2.770 ( 0.404 -0.069 -0.537) 0.675 2.796 ( -1.021 0.424 -3.334) 3.512 2.881 ( 1.167 -1.807 -2.494) 3.294 2.913 ( -0.130 1.026 1.127) 1.530 2.937 ( 0.494 1.040 -0.263) 1.181 2.967 ( -0.140 1.011 0.290) 1.061 3.016 ( 0.011 0.001 -0.587) 0.587 3.152 ( -0.273 -1.687 0.180) 1.718 3.170 ( -0.526 -0.561 1.559) 1.738 3.222 ( 0.307 1.138 -0.779) 1.413 3.271 ( 0.975 -0.122 -2.580) 2.760 3.340 ( -0.941 0.030 2.577) 2.744 3.353 ( -0.383 -1.005 0.496) 1.184 3.364 ( 0.242 2.583 1.330) 2.916 3.376 ( -0.427 -1.216 -0.188) 1.302 3.473 ( -0.579 -1.369 1.831) 2.358 3.497 ( -1.121 -0.156 3.028) 3.233 3.524 ( -0.763 -0.346 1.730) 1.922 3.567 ( -0.210 -1.536 0.587) 1.658 3.610 ( 0.222 2.575 0.700) 2.678 3.645 ( -0.734 -3.152 -0.396) 3.261 3.653 ( 0.836 2.816 -0.718) 3.024 3.674 ( 0.183 -0.059 -0.491) 0.528 3.699 ( 0.097 -0.179 -0.440) 0.484 3.808 ( 0.427 0.498 -1.204) 1.371 3.831 ( 0.725 -0.462 -2.031) 2.205 3.914 ( -0.166 -0.196 0.470) 0.536 3.926 ( -0.133 0.613 0.632) 0.890 3.936 ( -0.197 -0.825 0.300) 0.900 4.003 ( 0.004 -0.012 0.001) 0.013 4.184 ( -0.056 -0.803 0.339) 0.874 4.219 ( -0.123 0.986 -1.014) 1.420 4.240 ( 0.425 0.023 0.387) 0.576 4.292 ( -0.202 -0.635 0.136) 0.681 4.346 ( -0.018 -0.181 -0.096) 0.205 4.366 ( 0.201 0.275 -0.393) 0.521 5.279 ( 0.001 -0.008 -0.003) 0.008 ======================= Grid point 135 (57/117) ======================= q-point: (-0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 0.340 -0.162 0.394) 0.545 1.128 ( -0.684 0.814 -0.444) 1.152 1.165 ( -0.259 0.673 1.936) 2.066 1.212 ( -0.161 1.986 -0.301) 2.015 1.245 ( 0.940 3.870 4.766) 6.211 1.267 ( 1.031 0.797 -1.256) 1.810 1.317 ( -0.144 4.779 -0.893) 4.864 1.337 ( -1.484 4.855 6.056) 7.902 1.393 ( -3.064 3.517 2.440) 5.265 1.441 ( -1.464 1.916 0.531) 2.469 1.463 ( 1.325 3.037 -2.990) 4.463 1.474 ( 0.337 5.595 -0.340) 5.615 1.535 ( -1.338 0.455 0.475) 1.491 1.557 ( 0.600 0.617 4.469) 4.551 1.638 ( -3.620 0.223 -0.351) 3.644 1.686 ( 2.671 2.556 1.444) 3.969 1.705 ( 1.291 0.594 -1.018) 1.748 1.750 ( 0.213 -0.594 -1.222) 1.375 1.780 ( -0.110 2.671 2.299) 3.526 1.809 ( 0.135 7.604 -0.281) 7.611 1.844 ( 0.897 -0.800 -1.321) 1.785 1.862 ( -3.480 0.559 -2.371) 4.248 1.878 ( -0.404 1.328 4.965) 5.155 1.916 ( -0.811 1.993 1.962) 2.912 1.949 ( 3.784 0.550 0.055) 3.824 1.967 ( -2.359 0.830 -1.405) 2.869 1.968 ( 0.500 -0.325 -0.546) 0.808 1.992 ( 0.913 -0.988 -1.236) 1.827 2.014 ( 1.580 -0.216 0.473) 1.664 2.065 ( 0.134 0.970 0.200) 0.999 2.098 ( -1.818 3.013 -0.806) 3.610 2.129 ( -1.302 -0.558 -1.427) 2.011 2.150 ( -0.362 -1.615 0.833) 1.853 2.187 ( 1.215 -2.037 0.498) 2.424 2.209 ( -0.504 -3.606 0.917) 3.755 2.254 ( 0.453 -2.301 -1.714) 2.905 2.281 ( 3.235 2.143 -4.197) 5.716 2.294 ( -1.114 -1.390 1.769) 2.510 2.342 ( 0.966 -1.028 -1.474) 2.040 2.373 ( -0.209 -2.595 -2.116) 3.355 2.391 ( 1.986 -2.905 -3.053) 4.658 2.432 ( 0.077 -3.296 2.642) 4.225 2.503 ( -1.782 -1.367 -0.998) 2.457 2.531 ( 0.317 0.319 -2.437) 2.478 2.571 ( 0.568 -0.121 -2.883) 2.941 2.625 ( -0.883 1.545 1.386) 2.256 2.637 ( -0.228 0.907 0.820) 1.244 2.686 ( 0.404 0.252 1.831) 1.892 2.716 ( -1.005 -1.974 0.523) 2.276 2.746 ( 2.158 -2.682 -0.597) 3.494 2.762 ( 0.439 0.942 -1.518) 1.839 2.789 ( -2.306 -0.421 -2.369) 3.332 2.835 ( 0.091 4.820 -0.130) 4.823 2.868 ( 3.411 4.599 1.029) 5.817 2.898 ( -0.113 4.736 0.497) 4.763 2.913 ( 1.253 1.710 -1.213) 2.443 2.966 ( -0.587 3.382 -1.187) 3.632 3.106 ( -0.365 5.692 -0.335) 5.713 3.138 ( -0.252 3.027 0.207) 3.044 3.196 ( 1.845 3.033 -1.545) 3.871 3.226 ( -0.183 3.305 -1.691) 3.717 3.260 ( 0.268 3.940 -0.037) 3.949 3.320 ( -0.941 4.420 1.055) 4.641 3.345 ( -0.321 1.411 1.095) 1.815 3.369 ( -0.453 3.111 0.265) 3.155 3.419 ( -1.111 2.822 1.092) 3.223 3.477 ( -0.395 3.593 -0.430) 3.640 3.510 ( 0.605 1.285 2.373) 2.765 3.517 ( -2.794 1.016 4.224) 5.165 3.557 ( 0.269 1.076 2.065) 2.344 3.645 ( -0.123 0.707 0.155) 0.734 3.668 ( -0.070 1.607 -0.162) 1.616 3.734 ( 1.434 -2.082 -0.286) 2.544 3.743 ( -0.914 -4.144 -0.153) 4.246 3.805 ( -0.186 -0.821 -1.202) 1.468 3.840 ( 0.852 -0.231 -0.410) 0.974 3.866 ( -0.282 2.192 -1.376) 2.603 3.895 ( 1.044 1.246 -1.437) 2.170 3.962 ( -0.868 0.239 1.146) 1.457 3.995 ( 0.243 -1.357 0.151) 1.387 4.217 ( -0.421 -2.054 -0.537) 2.164 4.249 ( 0.425 -1.804 0.269) 1.873 4.295 ( 0.410 -3.526 0.265) 3.560 4.338 ( -0.039 -2.553 1.155) 2.802 4.362 ( -1.194 -3.482 -1.845) 4.118 4.404 ( 0.846 -3.170 -0.081) 3.282 5.282 ( -0.001 -0.330 0.000) 0.330 ======================= Grid point 136 (58/117) ======================= q-point: (-0.10 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -0.534 1.495 2.374) 2.856 1.054 ( 0.278 8.220 1.590) 8.377 1.106 ( 0.343 8.721 5.237) 10.178 1.141 ( 0.272 5.404 -0.935) 5.491 1.175 ( -1.627 1.947 1.587) 2.993 1.185 ( 1.407 0.041 0.591) 1.526 1.207 ( 1.498 7.392 1.536) 7.697 1.241 ( -2.671 7.657 1.727) 8.292 1.307 ( -3.491 5.160 -0.696) 6.269 1.326 ( 1.575 6.889 -0.136) 7.068 1.411 ( 2.102 -0.227 -3.824) 4.370 1.446 ( -0.849 0.779 -2.774) 3.003 1.485 ( -0.953 4.139 4.832) 6.433 1.496 ( 1.768 4.931 -3.163) 6.119 1.546 ( -2.086 2.706 4.379) 5.554 1.589 ( 0.376 7.197 -3.062) 7.830 1.689 ( -0.508 -0.009 1.195) 1.298 1.716 ( -2.627 2.284 4.383) 5.597 1.757 ( 0.416 3.008 -0.433) 3.067 1.760 ( 1.118 4.828 -2.593) 5.593 1.782 ( 1.282 0.893 0.232) 1.580 1.807 ( -0.988 2.487 -1.909) 3.287 1.872 ( -3.371 1.523 4.245) 5.630 1.874 ( -0.857 2.728 -0.556) 2.913 1.907 ( -1.064 2.965 -1.061) 3.324 1.940 ( -0.061 0.908 -0.360) 0.978 1.984 ( 0.674 1.765 1.899) 2.679 2.015 ( -0.348 0.603 -0.084) 0.701 2.042 ( 2.261 1.810 -2.284) 3.688 2.055 ( 3.284 -1.839 0.718) 3.832 2.078 ( 0.597 2.475 1.085) 2.767 2.116 ( -0.389 2.553 0.148) 2.587 2.135 ( -0.221 1.158 0.667) 1.354 2.221 ( 2.571 2.944 -4.163) 5.710 2.225 ( 0.556 2.054 1.560) 2.638 2.257 ( -1.193 -1.472 4.695) 5.063 2.268 ( 0.078 1.161 -1.177) 1.655 2.306 ( -3.132 -0.341 2.326) 3.916 2.337 ( 1.150 -1.012 0.573) 1.635 2.391 ( 0.229 2.933 -3.032) 4.225 2.412 ( -0.751 -0.170 -0.818) 1.124 2.445 ( -0.430 2.498 -3.596) 4.400 2.501 ( 1.364 2.210 2.985) 3.956 2.526 ( -1.205 -2.252 -2.991) 3.934 2.556 ( -0.986 6.496 0.993) 6.645 2.574 ( -0.116 -2.465 0.290) 2.484 2.617 ( 0.284 4.681 0.253) 4.696 2.667 ( 2.251 7.144 1.252) 7.594 2.684 ( -3.236 0.637 -2.464) 4.117 2.703 ( -0.850 1.847 -0.653) 2.136 2.738 ( 1.121 5.168 -1.686) 5.550 2.749 ( 0.594 4.170 -1.300) 4.409 2.797 ( -2.249 -2.022 -2.440) 3.886 2.818 ( 1.108 3.068 -1.853) 3.752 2.847 ( 0.050 -3.226 0.862) 3.340 2.869 ( 1.424 1.492 0.165) 2.069 2.930 ( -2.221 0.484 0.321) 2.296 2.986 ( 1.674 3.914 -0.682) 4.312 3.032 ( 2.822 5.212 -2.270) 6.347 3.136 ( 0.698 0.417 -0.755) 1.110 3.173 ( -0.043 6.487 -2.665) 7.013 3.209 ( 0.091 0.886 -2.372) 2.534 3.238 ( 0.231 -3.062 -1.221) 3.304 3.295 ( 0.190 3.497 1.756) 3.918 3.334 ( -0.426 0.886 4.386) 4.495 3.361 ( -1.337 2.735 0.078) 3.046 3.407 ( -0.952 2.827 -0.046) 2.983 3.487 ( -1.882 0.639 2.267) 3.015 3.509 ( -0.657 1.093 2.239) 2.577 3.544 ( -1.248 -0.280 5.848) 5.987 3.646 ( -0.674 -0.212 0.007) 0.706 3.655 ( -0.300 -0.789 -0.269) 0.886 3.701 ( 0.179 2.345 0.779) 2.478 3.774 ( -0.840 -0.145 -0.146) 0.865 3.860 ( -0.806 -2.585 -1.387) 3.042 3.861 ( 1.339 -2.136 -2.399) 3.480 3.875 ( 0.389 -2.032 -0.394) 2.106 3.899 ( 0.981 -0.954 -1.847) 2.299 3.953 ( -0.746 -0.053 0.889) 1.162 4.029 ( -0.348 -1.654 -0.114) 1.694 4.244 ( -0.131 -0.922 -0.854) 1.263 4.291 ( 0.422 -1.610 0.494) 1.736 4.331 ( -0.632 -1.422 0.611) 1.672 4.393 ( 0.056 -2.006 -0.209) 2.018 4.456 ( -0.293 -4.766 -0.985) 4.875 4.481 ( 0.461 -3.584 -0.163) 3.617 5.292 ( -0.014 -0.652 0.011) 0.652 ======================= Grid point 140 (59/117) ======================= q-point: ( 0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 9.640 -0.000 9.410) 13.472 0.580 ( 7.889 -0.000 14.126) 16.180 0.660 ( -11.918 0.000 5.157) 12.985 0.737 ( -13.261 0.000 -2.488) 13.492 0.849 ( 1.799 -0.000 -8.089) 8.287 0.931 ( 13.571 -0.000 13.456) 19.111 0.967 ( 2.795 -0.000 -7.312) 7.829 1.004 ( 0.605 -0.000 2.020) 2.109 1.039 ( 2.933 -0.000 -1.901) 3.495 1.117 ( -1.994 0.000 -0.024) 1.994 1.155 ( 1.034 -0.000 1.675) 1.969 1.211 ( 0.127 -0.000 -0.911) 0.920 1.232 ( -0.335 0.000 2.359) 2.383 1.265 ( 0.599 -0.000 -0.339) 0.688 1.305 ( 1.199 -0.000 -0.073) 1.201 1.374 ( -3.433 0.000 -4.619) 5.755 1.385 ( -8.591 0.000 2.172) 8.862 1.397 ( -0.185 0.000 0.531) 0.562 1.471 ( 2.348 -0.000 -1.955) 3.055 1.473 ( -6.464 0.000 0.934) 6.531 1.502 ( -2.598 0.000 3.040) 3.999 1.531 ( 0.125 -0.000 0.596) 0.609 1.576 ( -2.065 0.000 -0.751) 2.197 1.586 ( 5.332 -0.000 -6.913) 8.730 1.679 ( -0.217 0.000 1.145) 1.165 1.749 ( 4.040 -0.000 0.228) 4.046 1.836 ( 0.043 -0.000 0.319) 0.322 1.857 ( 1.156 -0.000 -0.235) 1.180 1.913 ( -0.948 0.000 -3.805) 3.922 1.916 ( 0.150 -0.000 -0.737) 0.753 1.935 ( 1.311 -0.000 4.642) 4.823 2.004 ( -2.749 0.000 -5.962) 6.565 2.055 ( 1.024 -0.000 1.168) 1.553 2.062 ( -4.626 0.000 2.178) 5.113 2.138 ( -0.282 0.000 2.967) 2.981 2.139 ( 2.376 -0.000 -5.583) 6.067 2.167 ( -1.520 0.000 -2.969) 3.335 2.181 ( -1.341 0.000 0.779) 1.550 2.230 ( -1.913 0.000 -1.183) 2.249 2.259 ( 1.317 -0.000 2.788) 3.083 2.271 ( 0.382 -0.000 -3.989) 4.007 2.334 ( 0.439 -0.000 -2.086) 2.132 2.368 ( -3.496 0.000 1.198) 3.696 2.390 ( -0.540 0.000 -0.648) 0.843 2.420 ( -0.653 0.000 -2.197) 2.292 2.430 ( 1.590 -0.000 1.375) 2.102 2.523 ( -2.040 0.000 -0.857) 2.213 2.565 ( 3.047 -0.000 -4.295) 5.266 2.589 ( -0.151 0.000 -0.392) 0.420 2.712 ( -4.574 0.000 8.449) 9.608 2.727 ( 4.891 -0.000 0.180) 4.894 2.787 ( -4.177 0.000 -3.168) 5.242 2.828 ( 4.279 -0.000 7.573) 8.699 2.864 ( -0.582 0.000 0.936) 1.103 2.891 ( 2.496 -0.000 -0.101) 2.499 2.914 ( -3.212 0.000 -2.397) 4.008 2.926 ( -1.192 0.000 -1.423) 1.856 2.985 ( 3.293 -0.000 -0.837) 3.398 3.065 ( -8.718 0.000 -0.753) 8.750 3.094 ( 2.944 -0.000 -2.844) 4.094 3.126 ( -1.553 0.000 -4.706) 4.955 3.173 ( -0.311 0.000 -0.105) 0.328 3.182 ( -3.406 0.000 -0.076) 3.407 3.272 ( 0.837 -0.000 3.624) 3.719 3.288 ( -0.744 0.000 -3.390) 3.471 3.363 ( 0.215 -0.000 0.542) 0.583 3.399 ( -3.711 0.000 -0.210) 3.717 3.472 ( -1.772 0.000 0.195) 1.783 3.513 ( -0.446 0.000 4.398) 4.421 3.555 ( -2.709 0.000 3.540) 4.458 3.679 ( -0.899 0.000 1.087) 1.411 3.696 ( -3.174 0.000 1.830) 3.664 3.775 ( 0.328 -0.000 -0.133) 0.354 3.833 ( -0.169 0.000 0.060) 0.180 3.849 ( 0.190 -0.000 -0.023) 0.191 3.862 ( 1.163 -0.000 -2.160) 2.453 3.923 ( -0.788 0.000 -0.479) 0.922 3.968 ( -2.433 0.000 1.606) 2.915 4.045 ( 2.279 -0.000 -1.226) 2.588 4.099 ( -1.518 0.000 -2.920) 3.291 4.343 ( -0.516 0.000 -2.122) 2.184 4.351 ( -0.283 0.000 -0.290) 0.405 4.357 ( 0.148 -0.000 0.284) 0.320 4.396 ( -1.358 0.000 -1.003) 1.688 4.534 ( -0.039 0.000 0.015) 0.042 4.549 ( 0.141 -0.000 -0.042) 0.148 5.331 ( -0.241 0.000 -0.030) 0.243 ======================= Grid point 141 (60/117) ======================= q-point: ( 0.40 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 5.782 -7.377 6.962) 11.675 0.708 ( -1.426 -7.887 6.428) 10.274 0.730 ( -0.011 -8.590 7.989) 11.731 0.755 ( -7.889 -5.966 -0.869) 9.929 0.897 ( 0.355 -4.227 -7.477) 8.597 0.945 ( -0.828 -1.522 -6.402) 6.632 1.062 ( 1.118 -1.916 -0.878) 2.386 1.159 ( 1.453 -13.560 2.078) 13.795 1.169 ( 1.947 -3.651 0.623) 4.184 1.190 ( 0.088 -3.456 1.853) 3.923 1.225 ( 4.831 -9.910 1.233) 11.093 1.233 ( -0.938 -4.006 0.789) 4.189 1.291 ( 1.894 -5.235 0.762) 5.619 1.341 ( -1.419 -6.223 0.650) 6.416 1.371 ( 1.433 -4.648 -0.588) 4.899 1.394 ( -0.746 -5.829 -1.532) 6.072 1.445 ( -3.447 -0.932 4.975) 6.124 1.463 ( -6.412 -7.181 0.741) 9.656 1.512 ( -1.591 -10.220 1.800) 10.499 1.528 ( 0.914 -0.403 -3.129) 3.284 1.571 ( -1.893 -7.496 1.068) 7.805 1.610 ( -1.118 -9.054 0.061) 9.123 1.648 ( 2.176 -1.145 -1.004) 2.656 1.657 ( 1.639 -8.341 -2.293) 8.805 1.710 ( -0.738 -4.584 -1.270) 4.814 1.771 ( 2.934 -2.643 -0.395) 3.969 1.836 ( -0.747 -2.105 0.016) 2.234 1.894 ( -0.045 -2.441 -0.934) 2.615 1.911 ( -1.098 -0.516 -2.925) 3.166 1.949 ( -0.665 0.320 -0.831) 1.111 2.009 ( -0.385 -3.556 -0.527) 3.615 2.019 ( -1.733 -0.852 1.227) 2.289 2.048 ( 0.051 -4.058 1.522) 4.334 2.094 ( 1.397 -1.407 -2.890) 3.504 2.112 ( -1.906 -3.304 2.874) 4.776 2.184 ( -2.772 -1.483 -2.707) 4.148 2.198 ( -0.628 -0.904 -0.388) 1.167 2.215 ( -0.606 -2.560 -3.465) 4.351 2.259 ( 1.436 -4.784 -2.394) 5.539 2.291 ( -1.466 -2.091 -3.052) 3.979 2.301 ( -0.431 0.386 1.992) 2.074 2.351 ( 1.174 -3.220 0.414) 3.452 2.366 ( 0.266 -4.323 -0.526) 4.363 2.407 ( -1.267 -0.002 -0.069) 1.269 2.414 ( -0.391 0.419 -2.260) 2.332 2.462 ( -0.254 -2.795 0.296) 2.823 2.493 ( -0.911 0.916 0.283) 1.322 2.529 ( -1.235 3.030 0.747) 3.356 2.596 ( 2.410 -1.072 -0.597) 2.705 2.700 ( -0.248 -2.608 0.958) 2.789 2.713 ( -0.459 2.261 0.543) 2.371 2.784 ( -0.013 0.348 -1.978) 2.008 2.824 ( 0.876 3.732 4.853) 6.184 2.883 ( -0.345 1.861 -0.288) 1.914 2.890 ( 0.750 1.379 -1.350) 2.071 2.901 ( 1.710 1.392 1.106) 2.467 2.911 ( -2.853 0.954 -0.326) 3.026 2.954 ( 0.875 0.497 -0.739) 1.249 3.049 ( -1.279 -2.115 0.665) 2.559 3.062 ( -0.668 0.905 -3.594) 3.766 3.103 ( -2.403 0.368 -3.577) 4.325 3.186 ( -2.716 -1.603 -2.253) 3.876 3.217 ( 0.020 -0.294 -2.171) 2.191 3.268 ( 0.710 0.601 3.375) 3.501 3.290 ( -1.861 -1.037 0.697) 2.242 3.348 ( 0.631 1.243 1.026) 1.731 3.387 ( -2.503 0.039 -0.359) 2.529 3.454 ( -1.411 1.479 -0.576) 2.124 3.496 ( -0.207 1.372 3.925) 4.163 3.559 ( -2.397 -0.466 5.189) 5.735 3.654 ( -0.588 1.690 0.378) 1.829 3.682 ( -2.545 0.735 1.911) 3.267 3.748 ( -0.133 2.472 0.238) 2.487 3.815 ( -0.696 1.929 0.001) 2.051 3.871 ( -0.020 -1.572 -0.743) 1.738 3.882 ( 1.247 -0.650 -1.538) 2.084 3.917 ( -0.365 0.264 -1.679) 1.738 3.956 ( -2.216 0.378 2.557) 3.405 4.014 ( 2.293 2.641 -1.590) 3.842 4.063 ( -1.617 1.977 -2.838) 3.818 4.299 ( -0.087 2.487 -1.569) 2.942 4.356 ( -1.039 1.998 0.612) 2.334 4.360 ( 0.060 0.270 -0.113) 0.299 4.391 ( 0.003 -1.888 -0.374) 1.924 4.547 ( 0.197 -0.263 -0.775) 0.842 4.552 ( 0.160 -0.011 -0.227) 0.278 5.323 ( -0.162 0.655 -0.007) 0.675 ======================= Grid point 142 (61/117) ======================= q-point: (-0.50 -0.70 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -0.835 -7.460 -0.709) 7.540 0.903 ( -1.023 -8.823 0.667) 8.907 0.917 ( -3.194 -10.996 3.966) 12.118 0.936 ( -0.805 -8.437 1.902) 8.686 1.001 ( -1.792 -7.813 0.044) 8.016 1.049 ( 2.285 -8.684 -0.653) 9.003 1.118 ( 1.175 -5.170 0.888) 5.376 1.170 ( -2.176 0.034 1.587) 2.694 1.243 ( 0.863 -1.958 -2.619) 3.382 1.319 ( -0.936 -3.396 -3.225) 4.776 1.335 ( 1.534 -2.232 2.032) 3.386 1.376 ( -0.234 -3.866 2.199) 4.454 1.433 ( 0.234 -3.799 -2.079) 4.337 1.446 ( 2.171 -2.180 2.315) 3.850 1.468 ( 1.900 -5.995 -1.093) 6.383 1.527 ( -1.048 -3.721 -0.002) 3.866 1.565 ( -3.173 -3.466 0.814) 4.769 1.580 ( -0.017 -9.500 -0.590) 9.518 1.625 ( -1.103 -11.697 1.547) 11.850 1.655 ( 0.101 -3.227 -0.918) 3.356 1.722 ( -2.125 -6.252 1.429) 6.757 1.741 ( -0.514 -0.708 0.388) 0.958 1.769 ( -0.982 -8.712 -1.013) 8.825 1.787 ( 0.346 -3.366 2.118) 3.992 1.867 ( -0.003 -5.282 -0.005) 5.282 1.879 ( 1.651 -6.117 0.097) 6.337 1.924 ( -0.577 -5.553 0.614) 5.616 1.942 ( 0.840 -9.670 0.034) 9.707 1.972 ( -0.213 -3.350 -2.685) 4.298 1.988 ( -1.684 -3.669 1.436) 4.285 2.030 ( 0.038 -0.339 0.777) 0.848 2.067 ( 0.760 -4.024 1.642) 4.412 2.092 ( -0.189 -4.665 -2.225) 5.172 2.135 ( -1.414 -1.929 -0.497) 2.443 2.165 ( -2.182 -0.839 -4.059) 4.684 2.202 ( -2.359 -2.128 -0.490) 3.215 2.240 ( 1.362 -3.803 -2.055) 4.532 2.304 ( 0.066 0.456 -1.124) 1.214 2.314 ( 1.298 -3.867 0.513) 4.111 2.338 ( -1.646 -2.263 2.907) 4.035 2.350 ( 0.095 -2.322 0.969) 2.518 2.391 ( -1.270 -0.772 3.507) 3.809 2.409 ( -0.149 -1.580 -3.304) 3.665 2.423 ( 0.742 -5.294 -1.388) 5.523 2.462 ( 0.825 -2.745 0.750) 2.963 2.508 ( -2.028 -3.265 0.545) 3.883 2.535 ( 0.417 -4.100 0.909) 4.221 2.567 ( -0.698 -6.029 -2.385) 6.521 2.614 ( -0.365 0.532 -2.923) 2.993 2.658 ( 0.340 1.149 -0.633) 1.355 2.727 ( -3.063 2.671 -1.079) 4.205 2.780 ( -0.354 3.699 -1.728) 4.098 2.786 ( 1.899 0.987 3.521) 4.120 2.819 ( 0.735 -3.911 1.588) 4.285 2.842 ( 1.987 0.169 -2.106) 2.900 2.872 ( 0.714 3.761 -0.291) 3.839 2.905 ( 0.219 -1.858 -1.498) 2.396 2.953 ( -1.087 -0.186 -0.335) 1.152 3.033 ( 1.233 1.974 -1.326) 2.678 3.074 ( 0.166 -0.782 -4.747) 4.814 3.126 ( -2.246 -1.787 -1.932) 3.460 3.185 ( 1.025 2.192 -3.862) 4.558 3.223 ( -2.571 -3.300 0.833) 4.266 3.281 ( 0.398 -1.285 1.907) 2.334 3.315 ( -0.734 -1.038 2.154) 2.501 3.340 ( 0.212 -1.097 2.721) 2.942 3.367 ( 1.556 2.492 -0.245) 2.948 3.427 ( -3.036 -0.953 -0.615) 3.241 3.481 ( -1.452 0.390 4.692) 4.927 3.559 ( -2.193 0.404 5.685) 6.107 3.626 ( -0.544 0.943 0.771) 1.334 3.655 ( -1.267 0.725 -0.072) 1.462 3.699 ( -0.195 1.911 0.217) 1.933 3.773 ( -0.805 1.789 0.787) 2.114 3.866 ( 0.303 0.904 -1.898) 2.124 3.895 ( 0.045 0.163 -1.506) 1.515 3.904 ( -0.168 0.479 -0.798) 0.945 3.931 ( -0.526 2.478 0.083) 2.535 3.978 ( 2.719 1.118 -0.521) 2.986 4.027 ( -1.778 1.101 -0.905) 2.279 4.260 ( 0.349 1.133 -0.902) 1.489 4.312 ( -0.683 1.492 0.997) 1.920 4.353 ( -0.011 0.869 0.035) 0.870 4.412 ( 0.040 0.036 -0.561) 0.564 4.528 ( 0.378 2.372 -0.601) 2.476 4.536 ( 0.032 1.652 -0.334) 1.686 5.306 ( -0.071 0.809 0.002) 0.812 ======================= Grid point 143 (62/117) ======================= q-point: (-0.40 -0.70 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -1.378 -2.624 1.644) 3.389 1.050 ( -2.438 -6.361 -1.256) 6.927 1.099 ( -0.351 -5.559 1.935) 5.897 1.112 ( -1.787 -8.752 1.013) 8.990 1.173 ( 0.105 -3.665 -0.201) 3.671 1.193 ( -1.651 -6.158 -0.015) 6.375 1.216 ( -2.542 -5.985 2.983) 7.154 1.258 ( 1.631 -5.727 4.464) 7.442 1.309 ( 3.257 -4.804 -1.745) 6.060 1.373 ( 0.442 -5.852 -0.733) 5.915 1.405 ( 0.243 0.227 -3.495) 3.511 1.431 ( -2.016 -3.606 1.456) 4.381 1.459 ( 2.126 -1.634 -1.235) 2.952 1.524 ( 0.425 -2.307 0.942) 2.528 1.547 ( 1.426 -2.167 2.502) 3.604 1.582 ( -0.078 -4.990 -0.758) 5.048 1.621 ( -1.931 -3.742 -0.448) 4.235 1.696 ( 0.484 0.718 1.347) 1.601 1.712 ( -2.951 -2.921 -0.170) 4.156 1.741 ( -0.793 -2.380 0.192) 2.515 1.791 ( 1.253 -5.338 2.620) 6.077 1.802 ( -1.832 0.021 2.244) 2.897 1.818 ( -1.518 -0.692 -3.501) 3.878 1.869 ( 0.747 -0.929 -0.233) 1.214 1.916 ( 2.166 -4.748 0.576) 5.250 1.962 ( 0.617 -0.078 -0.151) 0.640 1.975 ( -1.384 -0.512 2.452) 2.862 2.008 ( -0.773 -1.512 -0.143) 1.704 2.057 ( -0.405 -2.057 -0.903) 2.283 2.064 ( -0.824 -3.004 2.212) 3.820 2.128 ( 1.276 -0.765 -2.176) 2.636 2.142 ( 1.225 -2.406 -0.558) 2.757 2.159 ( -1.290 -0.737 -0.613) 1.607 2.170 ( -0.881 -1.612 -4.594) 4.948 2.221 ( -0.696 -1.897 0.979) 2.246 2.272 ( 1.683 -2.149 1.045) 2.923 2.294 ( 0.717 1.212 -0.036) 1.409 2.297 ( 0.712 -1.981 -1.026) 2.341 2.320 ( -4.937 -1.779 0.485) 5.270 2.367 ( 0.209 0.025 0.883) 0.907 2.417 ( 1.513 -7.183 4.460) 8.589 2.431 ( -0.219 0.659 -1.391) 1.555 2.467 ( 2.460 -1.445 -0.502) 2.897 2.496 ( -1.235 -4.894 0.431) 5.066 2.520 ( -1.229 4.374 -2.728) 5.299 2.567 ( 0.865 -5.413 0.027) 5.482 2.605 ( -1.406 -3.571 -2.306) 4.477 2.613 ( -1.559 -0.606 -2.192) 2.757 2.649 ( 1.021 -0.642 -0.559) 1.329 2.702 ( -0.272 -5.690 -0.117) 5.698 2.708 ( 0.704 -4.559 0.343) 4.626 2.765 ( 0.363 1.339 -1.040) 1.734 2.787 ( 1.324 -0.766 -0.216) 1.545 2.832 ( 0.187 -0.796 2.328) 2.467 2.852 ( -1.216 -1.655 -1.066) 2.314 2.885 ( 1.026 -1.852 -2.674) 3.411 2.908 ( 1.783 -1.073 0.931) 2.280 2.992 ( -1.061 -2.485 -2.748) 3.854 3.069 ( -0.611 -5.629 -1.950) 5.988 3.099 ( 1.631 -0.813 -3.249) 3.725 3.140 ( -0.705 -3.475 -0.929) 3.666 3.191 ( 1.190 -3.001 -1.907) 3.749 3.263 ( 0.829 1.236 -0.403) 1.542 3.301 ( -1.302 -2.790 0.966) 3.227 3.331 ( -1.668 -1.480 1.996) 2.993 3.377 ( 0.694 -3.563 0.151) 3.633 3.399 ( 1.691 -2.777 2.407) 4.045 3.452 ( -1.818 -1.114 1.414) 2.559 3.490 ( -2.134 -2.082 4.228) 5.173 3.548 ( -2.198 0.387 4.645) 5.153 3.617 ( -0.404 -0.453 0.511) 0.793 3.653 ( 0.314 0.537 -0.345) 0.712 3.690 ( -0.791 -2.156 0.212) 2.306 3.751 ( -0.068 0.218 0.290) 0.370 3.841 ( 0.845 1.582 -1.941) 2.643 3.871 ( 0.328 2.543 -0.859) 2.704 3.876 ( 0.423 1.457 -0.464) 1.587 3.894 ( -0.106 0.571 -1.674) 1.772 3.962 ( 1.041 0.913 0.555) 1.491 4.004 ( -0.930 0.677 0.050) 1.152 4.245 ( 0.663 0.853 -0.300) 1.121 4.287 ( -0.661 1.200 -0.077) 1.372 4.326 ( -0.166 1.411 0.806) 1.634 4.387 ( -0.046 2.309 -0.331) 2.333 4.454 ( 0.590 4.668 -0.159) 4.707 4.482 ( -0.086 3.475 -0.622) 3.531 5.291 ( -0.022 0.616 0.004) 0.616 ======================= Grid point 144 (63/117) ======================= q-point: (-0.30 -0.70 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -0.293 0.016 -0.373) 0.475 1.132 ( 0.044 -1.046 0.911) 1.388 1.162 ( -0.548 -2.153 0.159) 2.227 1.191 ( 1.081 -1.327 0.751) 1.869 1.245 ( -2.619 -3.141 2.538) 4.814 1.305 ( -0.580 -1.758 -0.590) 1.943 1.319 ( 0.995 -3.222 -1.430) 3.663 1.347 ( -2.220 -4.993 0.296) 5.473 1.383 ( -0.970 -2.999 8.043) 8.639 1.449 ( -0.839 -2.866 2.147) 3.678 1.472 ( -1.065 -3.982 -0.968) 4.234 1.483 ( -0.339 -2.889 -0.581) 2.966 1.529 ( -0.362 -1.780 0.803) 1.986 1.563 ( 0.831 0.004 3.114) 3.223 1.577 ( 3.361 -2.229 0.041) 4.033 1.651 ( -1.294 -2.414 -2.165) 3.491 1.674 ( -1.188 -0.205 1.027) 1.584 1.756 ( -0.261 -0.348 0.188) 0.474 1.779 ( -0.487 -5.206 -0.211) 5.233 1.784 ( 0.516 -4.633 -0.810) 4.732 1.801 ( 1.440 -1.857 1.301) 2.686 1.812 ( -0.378 -0.159 -4.382) 4.401 1.841 ( 0.485 -1.421 1.881) 2.406 1.926 ( -1.530 -3.295 2.015) 4.155 1.954 ( 0.272 -0.322 0.070) 0.427 1.984 ( -0.129 -2.008 0.437) 2.059 2.007 ( 0.072 -1.393 3.004) 3.312 2.017 ( -1.508 -0.905 -0.086) 1.761 2.053 ( -0.826 0.321 -1.126) 1.434 2.084 ( 2.254 2.506 0.844) 3.474 2.100 ( -1.287 2.170 -1.597) 2.986 2.122 ( -0.225 3.839 1.009) 3.976 2.169 ( 0.979 1.436 -1.810) 2.509 2.192 ( 2.386 -0.527 -0.362) 2.470 2.205 ( 1.417 -1.660 -1.249) 2.514 2.240 ( -2.382 1.683 1.125) 3.126 2.269 ( -0.338 1.749 -2.648) 3.192 2.307 ( 0.840 0.605 -0.718) 1.260 2.331 ( -0.388 0.621 -3.097) 3.183 2.350 ( -0.345 3.106 0.350) 3.145 2.417 ( 0.677 1.157 -1.284) 1.856 2.434 ( 0.619 2.320 -1.514) 2.838 2.503 ( 2.198 2.786 1.026) 3.694 2.531 ( 1.164 -2.868 -0.672) 3.167 2.548 ( 1.184 3.829 -1.162) 4.173 2.559 ( -0.434 -0.583 0.159) 0.744 2.591 ( -2.356 -2.689 -1.579) 3.909 2.667 ( 1.085 -2.261 0.167) 2.513 2.709 ( -0.821 0.136 2.502) 2.637 2.734 ( 1.205 -1.641 0.588) 2.119 2.761 ( -0.299 -0.239 -0.053) 0.386 2.791 ( -0.027 -1.910 -4.657) 5.033 2.844 ( 0.886 -0.173 -0.460) 1.014 2.883 ( -0.887 -4.689 -0.929) 4.862 2.900 ( 0.523 -4.042 -0.888) 4.171 2.933 ( -2.195 -2.899 0.361) 3.654 2.978 ( 1.211 -3.639 -1.182) 4.013 3.075 ( 0.346 -4.822 0.334) 4.846 3.121 ( 0.431 -2.673 -0.016) 2.708 3.188 ( 0.116 -5.105 -3.151) 6.000 3.253 ( 0.032 -1.936 -0.349) 1.968 3.260 ( 0.143 -4.703 -0.510) 4.733 3.294 ( 1.010 -5.218 1.084) 5.424 3.338 ( -0.798 -1.730 1.721) 2.568 3.388 ( -0.067 -1.875 -0.204) 1.888 3.432 ( -0.567 -1.948 3.058) 3.669 3.461 ( -0.173 -2.010 2.209) 2.991 3.473 ( -0.093 -2.982 1.066) 3.168 3.539 ( -1.671 0.262 3.611) 3.988 3.563 ( -1.004 -4.085 0.502) 4.237 3.647 ( -0.596 -2.243 0.055) 2.321 3.650 ( 0.675 -0.492 0.493) 0.970 3.713 ( -0.335 2.055 -0.617) 2.171 3.746 ( 0.559 2.115 -0.755) 2.314 3.815 ( 0.625 -0.131 0.344) 0.726 3.830 ( -0.014 1.021 -2.138) 2.370 3.870 ( 0.772 -1.474 -0.332) 1.696 3.894 ( -0.118 -1.571 -1.509) 2.181 3.957 ( 0.255 0.440 1.188) 1.292 3.986 ( -0.452 0.410 -0.084) 0.616 4.211 ( 0.461 2.496 0.348) 2.562 4.257 ( -0.384 1.234 -0.635) 1.441 4.304 ( -0.626 3.085 -1.284) 3.400 4.311 ( 0.249 3.204 1.570) 3.577 4.368 ( 1.003 3.032 0.797) 3.292 4.405 ( -0.302 3.275 -1.182) 3.495 5.282 ( 0.000 0.308 0.001) 0.308 ======================= Grid point 145 (64/117) ======================= q-point: (-0.20 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 0.746 0.074 -1.884) 2.028 1.153 ( 0.898 0.458 -1.551) 1.850 1.166 ( 0.332 0.374 -2.693) 2.739 1.189 ( -0.328 -0.748 1.556) 1.757 1.286 ( -0.704 -0.335 4.345) 4.414 1.305 ( 0.312 0.515 0.463) 0.760 1.382 ( -3.449 0.278 3.287) 4.773 1.399 ( -2.072 1.116 7.030) 7.413 1.432 ( -1.013 -0.471 2.192) 2.460 1.467 ( -2.151 2.025 2.576) 3.920 1.485 ( -0.529 -3.958 3.676) 5.428 1.519 ( 0.448 0.102 1.060) 1.156 1.554 ( 1.227 2.348 -1.711) 3.153 1.564 ( -0.386 -0.269 0.454) 0.654 1.607 ( 0.402 -0.053 -0.089) 0.415 1.683 ( -1.500 -1.934 -1.058) 2.666 1.708 ( 2.520 -3.101 1.822) 4.391 1.761 ( -2.783 -0.739 -1.292) 3.156 1.771 ( 2.368 1.303 -2.323) 3.564 1.807 ( -1.113 -0.119 -1.675) 2.014 1.868 ( 1.414 -1.033 1.671) 2.421 1.891 ( -1.563 -3.649 -1.863) 4.385 1.901 ( 3.230 -3.109 0.425) 4.503 1.941 ( -0.864 1.288 0.297) 1.579 1.959 ( -0.749 3.720 -0.939) 3.909 1.983 ( -0.865 1.707 0.977) 2.149 1.996 ( 0.868 1.526 -0.066) 1.757 2.020 ( 0.806 2.940 -0.152) 3.052 2.044 ( -1.227 0.857 0.673) 1.641 2.055 ( -0.590 -1.922 0.159) 2.017 2.099 ( 0.508 -2.379 1.433) 2.823 2.114 ( -0.378 -0.194 -1.001) 1.088 2.140 ( 0.828 0.254 -0.581) 1.043 2.183 ( 1.018 -2.828 -0.623) 3.070 2.186 ( 0.010 1.678 -0.387) 1.723 2.229 ( 0.416 2.696 0.577) 2.788 2.271 ( -1.488 0.516 0.338) 1.611 2.295 ( 2.257 -0.131 -0.130) 2.264 2.311 ( -0.611 2.769 -3.303) 4.353 2.324 ( -0.167 -1.681 -2.804) 3.274 2.346 ( 1.024 -1.729 -3.603) 4.125 2.419 ( 1.012 -0.111 0.989) 1.419 2.464 ( 0.517 -0.007 0.014) 0.518 2.494 ( -0.337 -0.495 -1.882) 1.975 2.572 ( 0.832 -0.131 -4.913) 4.985 2.622 ( 1.918 -3.194 1.131) 3.893 2.642 ( -2.090 -2.125 -0.262) 2.992 2.663 ( 0.283 0.825 2.022) 2.203 2.694 ( -0.298 0.319 0.196) 0.479 2.743 ( 1.402 0.540 1.460) 2.095 2.772 ( -0.003 -0.376 -0.620) 0.725 2.782 ( -0.646 1.501 -2.912) 3.339 2.882 ( 0.982 -2.144 -2.537) 3.463 2.909 ( -1.240 1.397 0.313) 1.894 2.944 ( 1.330 -0.021 0.785) 1.544 2.966 ( -0.152 0.659 -0.033) 0.677 3.015 ( 0.080 0.456 -0.668) 0.813 3.150 ( -0.427 -1.471 0.194) 1.544 3.171 ( -0.218 -0.600 1.559) 1.685 3.222 ( 0.171 0.900 -0.806) 1.220 3.271 ( 0.920 0.121 -2.554) 2.717 3.340 ( -0.897 0.343 2.742) 2.905 3.351 ( -0.368 -1.509 0.401) 1.604 3.367 ( -0.240 0.753 0.974) 1.254 3.374 ( 0.051 0.367 0.137) 0.395 3.474 ( -0.657 -0.220 1.749) 1.881 3.497 ( -1.088 -0.477 3.017) 3.242 3.523 ( -0.697 -0.775 1.833) 2.108 3.567 ( -0.190 0.400 0.580) 0.730 3.614 ( 0.399 1.234 0.640) 1.446 3.637 ( -1.072 -1.909 -0.502) 2.246 3.658 ( 1.031 1.586 -0.603) 1.986 3.673 ( 0.069 -0.148 -0.487) 0.514 3.699 ( 0.116 -0.562 -0.434) 0.719 3.807 ( 0.373 0.473 -1.226) 1.365 3.831 ( 0.773 -0.400 -2.019) 2.198 3.914 ( -0.212 -0.273 0.471) 0.584 3.927 ( -0.125 0.148 0.644) 0.673 3.936 ( -0.169 -0.131 0.289) 0.359 4.003 ( 0.003 -0.212 -0.002) 0.212 4.185 ( 0.107 -0.634 0.573) 0.861 4.214 ( -0.394 1.054 -1.252) 1.684 4.244 ( 0.623 -0.382 0.457) 0.862 4.291 ( -0.355 -0.439 0.000) 0.564 4.347 ( 0.150 0.466 0.091) 0.498 4.366 ( 0.100 -0.256 -0.506) 0.576 5.279 ( 0.001 -0.007 -0.003) 0.008 ======================= Grid point 146 (65/117) ======================= q-point: (-0.10 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 0.378 -0.223 0.450) 0.629 1.124 ( -0.257 0.628 -0.393) 0.784 1.167 ( -0.446 0.628 1.952) 2.098 1.207 ( -0.972 1.783 -1.797) 2.711 1.258 ( -0.235 3.998 5.734) 6.995 1.277 ( 2.551 1.875 -0.154) 3.169 1.314 ( 0.091 2.762 -2.323) 3.610 1.342 ( -1.519 4.846 7.126) 8.750 1.384 ( -1.778 4.208 3.053) 5.494 1.430 ( -2.307 2.349 -0.151) 3.296 1.465 ( 1.555 3.075 -2.965) 4.546 1.480 ( 1.603 5.258 -0.387) 5.511 1.531 ( -0.449 0.711 0.872) 1.211 1.565 ( -0.939 -0.159 4.072) 4.182 1.614 ( -4.308 1.797 -0.073) 4.669 1.702 ( 2.049 0.053 0.579) 2.130 1.708 ( -0.041 2.311 -0.461) 2.357 1.748 ( 0.474 0.098 -1.587) 1.660 1.781 ( -1.613 3.279 2.682) 4.533 1.807 ( -0.566 6.337 -0.665) 6.397 1.822 ( -4.119 -0.944 -1.456) 4.470 1.844 ( -1.254 2.067 -2.290) 3.330 1.896 ( 0.174 1.017 4.008) 4.139 1.919 ( 0.143 1.674 3.712) 4.074 1.940 ( -1.977 1.322 -3.517) 4.246 1.962 ( -0.054 0.691 0.519) 0.866 1.985 ( 2.299 0.446 0.752) 2.460 1.998 ( 2.311 -2.469 -0.504) 3.419 2.030 ( 3.261 -0.759 0.445) 3.378 2.066 ( 0.566 0.920 -0.485) 1.184 2.088 ( -1.123 2.020 -0.196) 2.320 2.121 ( -0.574 -0.343 -1.005) 1.207 2.148 ( -0.780 -1.198 0.369) 1.477 2.192 ( 0.049 -2.400 0.639) 2.484 2.208 ( -0.025 -2.070 -0.008) 2.070 2.252 ( 0.430 -3.068 -1.760) 3.563 2.287 ( -0.390 0.963 0.376) 1.105 2.294 ( 2.272 -0.130 -3.187) 3.916 2.344 ( 1.140 -2.025 -2.254) 3.237 2.368 ( 0.243 -2.724 -2.726) 3.862 2.397 ( 1.409 -2.161 -1.050) 2.785 2.439 ( 0.496 -2.205 2.474) 3.351 2.485 ( -2.789 -2.398 -2.256) 4.315 2.529 ( 0.647 0.275 -1.600) 1.747 2.565 ( -0.494 0.294 -2.961) 3.017 2.620 ( -2.341 -0.881 1.915) 3.150 2.634 ( -0.586 3.169 1.088) 3.401 2.690 ( -1.022 0.132 2.288) 2.510 2.712 ( -0.439 -1.241 0.000) 1.316 2.750 ( -1.018 0.450 -3.827) 3.986 2.759 ( 0.457 -1.082 0.635) 1.335 2.779 ( 0.143 -0.399 -0.057) 0.428 2.836 ( 0.827 3.026 -0.933) 3.273 2.885 ( 1.329 5.459 0.211) 5.623 2.903 ( 1.885 4.722 0.090) 5.085 2.918 ( 1.296 2.067 -1.221) 2.728 2.961 ( -0.346 2.808 -0.911) 2.973 3.101 ( -1.187 5.988 -0.242) 6.109 3.136 ( -0.627 2.652 0.013) 2.725 3.203 ( 1.527 2.818 -1.737) 3.645 3.223 ( 0.387 3.154 -1.595) 3.556 3.262 ( 0.436 4.544 0.104) 4.566 3.313 ( -1.687 5.463 -0.135) 5.719 3.345 ( -0.609 0.985 1.533) 1.921 3.371 ( 0.298 2.570 1.435) 2.959 3.415 ( -1.135 2.149 1.469) 2.840 3.473 ( -0.507 3.665 -0.686) 3.763 3.506 ( -2.596 1.550 2.127) 3.697 3.522 ( 0.182 1.031 4.318) 4.443 3.562 ( 0.085 1.146 1.814) 2.148 3.644 ( -0.188 0.453 0.204) 0.531 3.666 ( -0.361 2.020 -0.219) 2.064 3.737 ( -1.143 -4.072 -0.046) 4.230 3.741 ( 1.057 -1.965 -0.510) 2.289 3.803 ( 0.032 -0.501 -0.819) 0.961 3.843 ( 0.548 -0.808 -0.827) 1.279 3.862 ( -0.012 2.598 -1.179) 2.854 3.898 ( 0.952 1.213 -1.493) 2.146 3.959 ( -0.999 0.131 1.174) 1.547 3.996 ( -0.050 -1.189 0.129) 1.197 4.213 ( -0.413 -1.920 -0.524) 2.033 4.252 ( 0.401 -2.246 0.429) 2.322 4.298 ( 0.403 -2.898 0.520) 2.972 4.338 ( -0.523 -3.120 0.075) 3.165 4.353 ( -0.713 -3.157 -0.932) 3.368 4.408 ( 0.630 -3.208 -0.287) 3.282 5.282 ( -0.012 -0.328 0.000) 0.328 ======================= Grid point 151 (66/117) ======================= q-point: (-0.60 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( -13.025 0.000 6.499) 14.556 0.605 ( -6.045 0.000 -0.096) 6.046 0.653 ( 6.752 -0.000 13.410) 15.014 0.686 ( 1.224 -0.000 5.980) 6.104 0.847 ( 3.895 -0.000 -9.175) 9.968 0.967 ( 2.560 -0.000 -6.729) 7.199 1.005 ( -1.958 0.000 4.908) 5.284 1.012 ( 0.815 -0.000 1.935) 2.100 1.050 ( 3.100 -0.000 -0.964) 3.247 1.098 ( -1.789 0.000 1.218) 2.165 1.165 ( 1.258 -0.000 1.662) 2.084 1.218 ( 3.117 -0.000 1.199) 3.340 1.234 ( -0.673 0.000 2.352) 2.447 1.262 ( -1.621 0.000 3.344) 3.716 1.306 ( -0.368 0.000 -1.411) 1.458 1.346 ( -1.197 0.000 -2.264) 2.561 1.358 ( -2.991 0.000 -2.454) 3.869 1.396 ( -0.712 0.000 0.691) 0.992 1.439 ( -5.625 0.000 2.275) 6.068 1.479 ( 1.712 -0.000 -1.668) 2.390 1.496 ( -1.696 0.000 3.030) 3.473 1.533 ( -0.117 0.000 0.656) 0.666 1.560 ( -2.099 0.000 -1.759) 2.738 1.604 ( 5.862 -0.000 -7.945) 9.874 1.687 ( 1.822 -0.000 1.230) 2.198 1.770 ( 3.059 -0.000 -1.209) 3.290 1.837 ( 0.004 -0.000 0.630) 0.630 1.860 ( 0.777 -0.000 -1.061) 1.315 1.903 ( 0.226 -0.000 -3.124) 3.132 1.915 ( -0.558 0.000 -0.759) 0.942 1.951 ( 1.056 -0.000 4.193) 4.324 1.977 ( -1.974 0.000 -5.325) 5.679 2.033 ( -6.587 0.000 2.323) 6.985 2.063 ( 0.885 -0.000 2.522) 2.673 2.136 ( 0.021 -0.000 -6.246) 6.246 2.140 ( -0.931 0.000 1.688) 1.927 2.162 ( 2.174 -0.000 -1.808) 2.827 2.176 ( -0.904 0.000 1.730) 1.952 2.213 ( -2.569 0.000 -2.880) 3.860 2.262 ( 0.773 -0.000 -7.345) 7.386 2.273 ( 1.450 -0.000 2.272) 2.695 2.331 ( -0.576 0.000 -1.466) 1.575 2.353 ( -2.866 0.000 3.486) 4.513 2.384 ( -0.845 0.000 -1.004) 1.313 2.411 ( -0.807 0.000 -0.818) 1.149 2.445 ( 2.388 -0.000 0.377) 2.418 2.508 ( -2.368 0.000 0.137) 2.372 2.569 ( 0.888 -0.000 -3.403) 3.517 2.595 ( 2.846 -0.000 -1.905) 3.424 2.702 ( -4.580 0.000 8.255) 9.440 2.743 ( -2.125 0.000 -1.107) 2.396 2.764 ( 1.303 -0.000 -2.685) 2.984 2.865 ( 0.091 -0.000 1.433) 1.435 2.866 ( 3.164 -0.000 6.888) 7.580 2.891 ( -1.319 0.000 -2.798) 3.093 2.917 ( -0.749 0.000 -1.893) 2.036 2.919 ( 5.273 -0.000 1.730) 5.549 3.002 ( -6.371 0.000 0.718) 6.411 3.014 ( 2.669 -0.000 -3.934) 4.754 3.105 ( 2.674 -0.000 -2.449) 3.626 3.109 ( -0.933 0.000 -3.495) 3.617 3.158 ( -4.246 0.000 -0.797) 4.320 3.171 ( -0.262 0.000 0.083) 0.274 3.260 ( -3.626 0.000 -4.028) 5.420 3.298 ( 2.691 -0.000 4.196) 4.985 3.367 ( 0.773 -0.000 0.323) 0.837 3.379 ( -2.792 0.000 -0.377) 2.817 3.461 ( -2.088 0.000 0.112) 2.091 3.520 ( 0.220 -0.000 2.074) 2.085 3.550 ( -2.017 0.000 6.175) 6.496 3.678 ( -0.401 0.000 1.080) 1.152 3.682 ( -2.567 0.000 1.804) 3.138 3.780 ( 1.029 -0.000 0.409) 1.107 3.832 ( -0.082 0.000 0.040) 0.092 3.849 ( 0.060 -0.000 -0.030) 0.068 3.865 ( 1.544 -0.000 -2.357) 2.817 3.919 ( -0.117 0.000 -1.054) 1.060 3.957 ( -2.215 0.000 1.617) 2.742 4.055 ( 1.898 -0.000 -1.079) 2.183 4.087 ( -0.267 0.000 -3.428) 3.438 4.336 ( -0.201 0.000 -2.309) 2.318 4.349 ( -0.236 0.000 -0.287) 0.371 4.359 ( 0.150 -0.000 0.278) 0.316 4.390 ( -0.491 0.000 -0.343) 0.599 4.533 ( -0.151 0.000 -0.085) 0.173 4.550 ( 0.224 -0.000 0.062) 0.233 5.329 ( -0.146 0.000 -0.024) 0.148 ======================= Grid point 152 (67/117) ======================= q-point: (-0.50 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( -10.458 -8.766 5.773) 14.817 0.696 ( -10.691 -9.104 -0.249) 14.045 0.737 ( 5.484 -5.740 6.979) 10.570 0.787 ( 7.971 -5.953 7.549) 12.489 0.894 ( 3.587 -4.693 -6.443) 8.741 0.930 ( 0.096 -1.397 -6.221) 6.377 1.067 ( 1.058 -2.681 -0.881) 3.014 1.153 ( -3.795 -9.934 -0.245) 10.637 1.175 ( -0.760 -5.274 0.149) 5.330 1.189 ( -0.967 -2.500 0.908) 2.830 1.231 ( -0.230 -3.216 1.365) 3.501 1.248 ( 3.155 -10.678 -2.176) 11.345 1.299 ( 0.121 -2.317 0.574) 2.390 1.338 ( -0.947 -9.792 1.834) 10.007 1.377 ( 0.184 -4.928 -1.826) 5.258 1.386 ( -1.402 -7.523 0.577) 7.674 1.430 ( -2.795 -7.227 1.325) 7.861 1.436 ( -3.259 -1.008 5.062) 6.104 1.504 ( -1.980 -9.430 1.207) 9.711 1.526 ( 0.472 -0.892 -2.150) 2.375 1.564 ( -1.017 -6.787 0.960) 6.930 1.601 ( -1.544 -7.146 0.044) 7.311 1.653 ( 0.889 -5.909 -2.208) 6.371 1.685 ( 6.587 -4.817 1.403) 8.281 1.712 ( 3.178 -5.412 -2.783) 6.866 1.782 ( 1.135 -1.926 -1.443) 2.661 1.837 ( 1.038 -2.489 1.003) 2.877 1.888 ( -0.808 -0.786 -1.728) 2.063 1.906 ( 1.259 -2.023 -2.761) 3.647 1.936 ( -2.389 0.147 -0.953) 2.577 2.003 ( -1.707 -2.015 -0.037) 2.642 2.016 ( 0.164 -3.300 1.694) 3.713 2.050 ( -0.523 -3.426 2.312) 4.166 2.094 ( -0.238 -0.686 -1.301) 1.490 2.112 ( 1.156 -4.274 1.161) 4.577 2.162 ( -2.116 -0.885 -2.850) 3.658 2.183 ( -3.588 0.365 -1.800) 4.031 2.211 ( 1.799 -3.108 -3.360) 4.918 2.263 ( 1.501 -5.598 -2.746) 6.414 2.270 ( -2.349 -1.511 -2.763) 3.929 2.307 ( 0.799 -0.825 -0.111) 1.154 2.356 ( -0.424 -1.071 0.057) 1.154 2.366 ( 0.594 -6.599 -0.597) 6.652 2.397 ( -0.036 0.350 -0.704) 0.787 2.418 ( 0.749 0.135 0.051) 0.763 2.462 ( -0.533 -1.874 2.158) 2.908 2.489 ( -0.490 0.436 0.160) 0.675 2.527 ( -0.175 2.664 1.803) 3.221 2.609 ( 2.307 -1.405 -1.224) 2.966 2.686 ( -2.798 1.097 -3.509) 4.620 2.716 ( -0.955 -0.905 2.781) 3.077 2.773 ( -1.299 1.000 -2.795) 3.240 2.837 ( -2.465 3.876 6.626) 8.062 2.872 ( -0.603 2.037 -1.839) 2.810 2.893 ( 1.763 1.368 -0.806) 2.373 2.907 ( 1.919 0.992 -0.751) 2.287 2.928 ( 3.845 0.271 2.619) 4.660 2.957 ( 0.644 2.253 -2.383) 3.343 3.034 ( -1.322 -3.196 -0.282) 3.470 3.060 ( 0.284 0.215 -2.127) 2.156 3.085 ( -0.970 1.306 -2.946) 3.366 3.171 ( -0.997 -1.565 -1.555) 2.420 3.208 ( -0.673 -0.459 -3.832) 3.918 3.277 ( -2.333 -2.117 1.840) 3.648 3.288 ( 2.359 1.408 4.203) 5.022 3.356 ( 1.211 1.050 0.306) 1.632 3.374 ( -1.722 -0.388 -0.510) 1.837 3.443 ( -1.449 1.380 -0.678) 2.113 3.505 ( 0.640 1.554 3.126) 3.549 3.558 ( -2.150 -0.498 6.007) 6.399 3.654 ( 0.331 1.759 0.158) 1.797 3.671 ( -2.337 0.571 1.838) 3.028 3.750 ( 0.541 2.812 0.494) 2.906 3.812 ( -0.467 1.967 0.248) 2.037 3.869 ( 0.125 -1.123 -0.868) 1.425 3.887 ( 1.222 -0.793 -0.856) 1.689 3.912 ( -0.021 0.438 -2.034) 2.081 3.951 ( -1.156 0.090 1.963) 2.280 4.022 ( 1.402 2.209 -1.703) 3.122 4.051 ( -0.102 2.280 -2.768) 3.588 4.297 ( 0.555 2.335 -1.436) 2.796 4.353 ( -0.176 2.220 0.841) 2.381 4.361 ( 0.122 0.037 -0.010) 0.128 4.390 ( 0.045 -1.925 -0.532) 1.998 4.547 ( 0.371 -0.350 -0.858) 0.999 4.553 ( 0.176 0.077 -0.140) 0.238 5.322 ( -0.061 0.640 -0.005) 0.642 ======================= Grid point 153 (68/117) ======================= q-point: (-0.40 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -2.468 -8.436 0.273) 8.794 0.875 ( -5.919 -10.478 -1.406) 12.116 0.913 ( -1.002 -7.700 3.166) 8.386 0.947 ( 1.894 -8.074 1.012) 8.355 1.000 ( 1.350 -7.447 1.489) 7.713 1.064 ( 2.445 -8.989 1.269) 9.402 1.129 ( 1.664 -4.836 1.073) 5.226 1.158 ( -2.443 -0.602 -0.016) 2.516 1.238 ( -0.396 -2.759 -2.188) 3.543 1.309 ( -1.136 -2.490 -1.256) 3.011 1.344 ( 0.523 -3.337 0.502) 3.415 1.380 ( 0.207 -3.339 2.315) 4.068 1.429 ( 0.471 -4.305 -3.094) 5.323 1.459 ( 1.559 -2.339 -0.077) 2.812 1.484 ( 2.933 -6.902 0.855) 7.548 1.518 ( -1.642 -3.837 -0.083) 4.175 1.548 ( -3.445 -2.824 1.107) 4.590 1.578 ( -0.653 -9.132 0.757) 9.186 1.620 ( -0.743 -10.398 0.782) 10.454 1.658 ( 0.845 -3.608 -0.399) 3.727 1.700 ( -5.322 -7.931 0.005) 9.551 1.733 ( -1.216 -5.476 -1.187) 5.733 1.772 ( 1.092 -5.131 1.255) 5.394 1.794 ( 0.554 -2.537 1.949) 3.247 1.858 ( -1.183 -7.479 -3.435) 8.315 1.891 ( 1.093 -2.312 3.178) 4.079 1.925 ( 0.202 -4.371 0.161) 4.379 1.954 ( 0.944 -8.307 0.691) 8.389 1.966 ( 1.019 -4.583 -0.869) 4.775 1.986 ( 0.558 -4.950 0.261) 4.988 2.033 ( 0.556 -0.801 0.143) 0.986 2.073 ( 0.284 -3.061 1.541) 3.439 2.095 ( 1.538 -4.217 -0.644) 4.534 2.125 ( -1.491 -1.303 -0.263) 1.997 2.143 ( -2.170 -0.314 -4.845) 5.318 2.193 ( 0.237 -4.601 -2.000) 5.023 2.246 ( 1.854 -4.522 -1.815) 5.213 2.301 ( -0.330 0.466 0.323) 0.656 2.318 ( -0.092 -4.847 -0.365) 4.862 2.337 ( -1.422 -1.800 3.654) 4.315 2.357 ( 1.612 -0.204 0.744) 1.787 2.389 ( -0.669 -4.351 1.084) 4.533 2.403 ( 0.167 -1.858 -2.239) 2.914 2.432 ( 2.298 -3.989 0.694) 4.656 2.470 ( 1.611 -1.246 0.375) 2.071 2.497 ( -1.503 -4.243 -0.535) 4.533 2.534 ( -1.636 -3.927 0.343) 4.268 2.561 ( -0.500 -4.007 0.342) 4.052 2.604 ( 0.283 0.758 -5.486) 5.545 2.659 ( 0.452 0.197 -0.782) 0.924 2.713 ( -1.283 1.264 0.459) 1.859 2.767 ( -2.569 1.100 -0.676) 2.875 2.803 ( 0.839 2.758 0.968) 3.040 2.824 ( 0.678 -4.022 1.626) 4.391 2.853 ( 2.590 1.845 -1.763) 3.636 2.876 ( 1.741 3.128 -1.323) 3.817 2.910 ( 2.066 -0.982 -0.580) 2.360 2.944 ( -1.421 -0.117 -0.786) 1.629 3.036 ( 0.405 2.188 -1.597) 2.739 3.066 ( 0.944 -0.985 -4.315) 4.525 3.112 ( -1.300 -2.148 -0.934) 2.679 3.183 ( 1.256 1.460 -3.929) 4.376 3.210 ( -1.960 -2.830 1.102) 3.615 3.295 ( 1.969 -0.822 2.443) 3.244 3.315 ( -0.756 -0.976 1.845) 2.220 3.348 ( 0.698 -0.946 1.835) 2.179 3.377 ( 1.995 1.653 0.251) 2.603 3.407 ( -2.760 -0.974 -1.518) 3.297 3.485 ( -0.732 0.667 5.230) 5.323 3.558 ( -2.242 0.474 5.756) 6.196 3.627 ( 0.266 1.052 0.796) 1.345 3.649 ( -0.535 0.526 -0.216) 0.781 3.698 ( -0.092 1.948 0.085) 1.952 3.772 ( -0.093 1.701 0.926) 1.939 3.866 ( 0.769 0.850 -1.761) 2.101 3.893 ( 0.396 0.351 -1.357) 1.457 3.901 ( -0.317 0.318 -0.787) 0.907 3.929 ( 0.100 2.410 -0.197) 2.420 3.993 ( 2.702 1.287 -0.675) 3.068 4.016 ( -1.039 0.893 -0.725) 1.549 4.261 ( 0.634 1.112 -0.887) 1.557 4.311 ( -0.221 1.544 1.066) 1.889 4.353 ( 0.035 0.900 0.084) 0.905 4.411 ( 0.098 0.041 -0.604) 0.613 4.529 ( 0.532 2.342 -0.625) 2.482 4.535 ( 0.040 1.695 -0.334) 1.728 5.306 ( -0.008 0.803 0.001) 0.803 ======================= Grid point 154 (69/117) ======================= q-point: (-0.30 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -1.085 -2.682 1.586) 3.299 1.035 ( -1.615 -6.743 -1.018) 7.008 1.094 ( -2.854 -8.555 2.680) 9.408 1.112 ( 1.019 -6.572 0.047) 6.651 1.170 ( -0.411 -5.797 -1.588) 6.025 1.187 ( -0.824 -3.739 1.727) 4.200 1.208 ( -1.890 -4.258 2.682) 5.376 1.275 ( 0.723 -7.127 4.248) 8.329 1.320 ( 1.971 -5.076 -2.249) 5.892 1.373 ( 0.415 -5.208 -0.795) 5.285 1.398 ( -0.399 0.192 -2.308) 2.350 1.421 ( -2.068 -2.911 1.817) 4.006 1.472 ( 2.588 -2.368 -1.215) 3.712 1.526 ( -0.052 -1.576 -0.772) 1.756 1.561 ( -0.270 -2.329 4.055) 4.684 1.582 ( 1.790 -4.602 -1.146) 5.069 1.616 ( 0.743 -4.879 -0.855) 5.009 1.697 ( -1.988 -2.948 1.026) 3.701 1.706 ( 1.925 1.132 0.937) 2.422 1.740 ( 0.305 -2.867 0.627) 2.951 1.795 ( -1.743 -1.096 -0.061) 2.059 1.801 ( -0.677 -5.011 1.792) 5.365 1.807 ( 0.481 -0.371 -0.341) 0.697 1.871 ( 0.883 -1.662 -1.050) 2.155 1.934 ( 2.841 -3.201 1.363) 4.492 1.961 ( -0.574 1.189 -1.115) 1.728 1.973 ( -0.801 -1.524 2.282) 2.859 2.006 ( -0.026 -1.859 -0.142) 1.864 2.051 ( -1.238 -1.123 -0.921) 1.908 2.063 ( -1.145 -4.601 1.804) 5.073 2.126 ( -1.854 1.040 -1.474) 2.587 2.132 ( -0.543 -2.483 -1.908) 3.178 2.158 ( 0.589 -2.418 -5.212) 5.776 2.167 ( 2.235 -2.595 0.398) 3.448 2.213 ( -2.398 -4.466 1.301) 5.234 2.261 ( -4.671 0.039 1.547) 4.921 2.294 ( 0.193 -0.479 -3.220) 3.261 2.303 ( -0.581 1.648 2.967) 3.443 2.322 ( 5.012 -2.979 0.820) 5.888 2.372 ( 0.684 1.212 1.588) 2.112 2.418 ( -1.166 -1.826 -0.749) 2.293 2.440 ( 1.116 -3.770 1.783) 4.317 2.482 ( 1.371 -4.426 2.048) 5.066 2.497 ( 2.263 -3.046 0.646) 3.850 2.508 ( -0.767 3.045 -3.229) 4.504 2.568 ( 0.599 -4.535 -5.220) 6.941 2.594 ( 0.629 -6.194 -1.017) 6.308 2.610 ( 0.134 1.696 0.475) 1.766 2.653 ( 0.928 -0.613 -1.513) 1.878 2.701 ( 0.252 -5.367 -0.320) 5.382 2.715 ( 1.194 -4.151 0.601) 4.361 2.767 ( 0.917 0.870 -0.410) 1.329 2.795 ( 1.544 -0.597 -0.287) 1.680 2.835 ( -0.684 -0.800 -1.092) 1.516 2.845 ( -0.551 -0.834 1.407) 1.726 2.884 ( 0.308 -1.904 -2.376) 3.061 2.921 ( 1.920 -0.749 0.846) 2.228 2.979 ( -1.187 -3.174 -2.549) 4.240 3.057 ( -1.572 -5.450 -2.295) 6.119 3.104 ( 1.884 -0.194 -2.632) 3.242 3.138 ( 0.934 -4.744 -0.960) 4.930 3.196 ( 1.757 -2.825 -1.556) 3.672 3.263 ( -0.256 -0.031 -0.457) 0.525 3.295 ( -1.304 -1.984 0.931) 2.550 3.326 ( -1.454 -1.454 2.032) 2.891 3.383 ( 1.322 -3.199 -0.121) 3.464 3.410 ( 0.813 -2.336 0.336) 2.496 3.449 ( -0.288 -2.032 2.894) 3.548 3.488 ( -1.643 -1.525 4.592) 5.110 3.544 ( -2.364 0.528 4.650) 5.243 3.618 ( 0.419 -0.302 0.472) 0.700 3.655 ( 0.616 0.332 -0.346) 0.781 3.687 ( -0.463 -2.050 0.137) 2.106 3.754 ( 0.736 0.182 0.393) 0.854 3.843 ( 1.135 1.437 -2.111) 2.795 3.870 ( -0.250 2.879 -0.305) 2.906 3.880 ( 1.057 0.997 -0.782) 1.650 3.890 ( 0.028 0.691 -1.670) 1.808 3.968 ( 0.399 1.176 0.472) 1.329 4.002 ( 0.158 0.624 0.042) 0.645 4.248 ( 0.740 0.621 -0.321) 1.018 4.283 ( -0.616 1.610 -0.091) 1.726 4.328 ( -0.026 1.309 0.792) 1.530 4.387 ( 0.136 2.319 -0.220) 2.333 4.458 ( 0.734 4.494 -0.149) 4.556 4.480 ( -0.205 3.590 -0.699) 3.664 5.291 ( 0.010 0.614 0.004) 0.614 ======================= Grid point 155 (70/117) ======================= q-point: (-0.20 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -0.256 -0.063 -0.406) 0.484 1.135 ( -0.080 -1.824 1.349) 2.271 1.160 ( -0.181 -1.486 0.150) 1.505 1.197 ( 0.314 -1.087 1.066) 1.555 1.235 ( -2.130 -4.125 1.752) 4.962 1.297 ( -1.123 0.254 -1.841) 2.171 1.322 ( 0.409 -5.296 -0.101) 5.312 1.336 ( -1.980 -5.561 1.119) 6.009 1.397 ( 0.121 -2.442 7.542) 7.928 1.441 ( -2.178 -0.791 2.086) 3.118 1.469 ( -0.034 -4.405 -0.244) 4.412 1.481 ( 0.071 -3.741 -0.957) 3.862 1.527 ( -0.749 -2.574 0.490) 2.725 1.578 ( 2.010 0.428 3.680) 4.215 1.592 ( 0.974 -2.281 -0.401) 2.512 1.643 ( 1.083 -0.995 -2.167) 2.619 1.682 ( 2.613 -0.577 1.446) 3.042 1.750 ( -1.857 -0.202 -0.127) 1.872 1.771 ( -0.742 -5.570 -1.670) 5.863 1.788 ( 0.195 -2.024 -0.918) 2.231 1.803 ( 0.306 -3.083 -2.651) 4.077 1.816 ( 2.134 -2.925 1.685) 3.993 1.853 ( 1.832 0.410 2.682) 3.273 1.920 ( -1.429 -2.794 1.366) 3.422 1.956 ( 0.347 -1.508 0.061) 1.548 1.984 ( -0.259 -1.950 0.452) 2.019 2.006 ( -0.975 0.582 -0.548) 1.261 2.016 ( -0.149 -2.284 2.444) 3.348 2.041 ( -2.148 0.702 -1.379) 2.647 2.082 ( -1.553 2.059 -3.362) 4.238 2.104 ( 2.091 1.731 2.275) 3.542 2.125 ( 0.150 3.992 1.177) 4.164 2.167 ( -0.771 -0.031 -1.359) 1.563 2.200 ( 0.148 0.140 -1.100) 1.118 2.212 ( 1.748 -2.326 -1.607) 3.324 2.230 ( -1.705 2.389 2.054) 3.582 2.264 ( 0.948 0.464 -3.202) 3.371 2.310 ( 0.320 2.343 -1.563) 2.834 2.325 ( 0.399 0.180 -1.263) 1.337 2.353 ( 0.775 2.853 1.262) 3.214 2.411 ( -0.809 2.546 -2.626) 3.746 2.436 ( 0.505 1.913 -1.320) 2.378 2.513 ( 0.656 2.251 0.489) 2.395 2.542 ( 2.478 -1.685 -0.739) 3.087 2.554 ( 1.756 6.001 -0.558) 6.278 2.560 ( 0.264 -3.528 0.419) 3.563 2.582 ( 0.996 -2.798 -1.032) 3.144 2.675 ( 1.487 -1.658 -0.079) 2.229 2.711 ( -0.469 -0.547 2.486) 2.588 2.741 ( 1.358 -0.981 -1.588) 2.308 2.760 ( -0.079 -0.141 0.088) 0.184 2.781 ( 0.147 -2.046 -3.846) 4.359 2.847 ( 0.100 -0.268 -0.679) 0.737 2.877 ( -0.782 -4.609 0.044) 4.675 2.900 ( 0.138 -3.594 -0.808) 3.687 2.920 ( -2.378 -3.476 0.359) 4.227 2.980 ( 0.561 -3.514 -1.332) 3.799 3.081 ( 1.328 -4.925 0.206) 5.105 3.125 ( 0.910 -2.422 0.283) 2.602 3.183 ( 0.387 -5.476 -3.052) 6.281 3.249 ( -0.879 -3.833 -0.118) 3.934 3.262 ( 0.481 -2.231 -0.811) 2.422 3.303 ( 1.040 -4.817 1.348) 5.109 3.337 ( -0.441 -2.172 1.602) 2.734 3.387 ( -0.184 -2.248 -0.420) 2.294 3.431 ( -1.084 -2.329 1.699) 3.080 3.467 ( 0.454 -2.246 2.161) 3.149 3.478 ( 0.394 -2.267 2.260) 3.225 3.536 ( -1.739 0.091 3.404) 3.824 3.557 ( -1.317 -4.058 0.683) 4.321 3.645 ( -0.279 -1.891 0.118) 1.915 3.655 ( 0.845 -0.784 0.442) 1.235 3.711 ( 0.160 1.963 -0.639) 2.071 3.748 ( 0.616 2.596 -0.700) 2.758 3.818 ( 0.112 0.255 0.711) 0.764 3.826 ( 0.454 0.537 -2.463) 2.561 3.874 ( 0.678 -1.198 -0.394) 1.431 3.890 ( -0.030 -1.699 -1.547) 2.298 3.961 ( 0.241 0.388 1.205) 1.289 3.984 ( -0.086 0.494 -0.085) 0.508 4.215 ( 0.595 2.716 0.499) 2.825 4.252 ( -0.532 0.810 -0.919) 1.336 4.298 ( -0.405 3.782 -1.207) 3.990 4.317 ( 0.402 2.698 1.939) 3.347 4.375 ( 1.121 3.068 0.673) 3.335 4.400 ( -0.551 3.292 -1.432) 3.632 5.282 ( 0.012 0.309 0.001) 0.309 ======================= Grid point 156 (71/117) ======================= q-point: (-0.10 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 0.735 -0.110 -1.895) 2.036 1.154 ( 1.040 2.118 -2.434) 3.390 1.163 ( 0.351 -1.111 -1.415) 1.833 1.189 ( -0.659 -0.634 1.147) 1.467 1.290 ( -1.297 -0.653 5.054) 5.259 1.302 ( -1.075 -0.715 -0.949) 1.602 1.373 ( -1.775 1.424 4.404) 4.957 1.404 ( -0.848 0.940 5.487) 5.631 1.431 ( -1.427 -0.081 3.300) 3.596 1.462 ( -1.131 1.364 2.896) 3.395 1.495 ( 0.311 -4.330 5.045) 6.655 1.523 ( 0.177 0.148 0.789) 0.822 1.551 ( -0.919 0.876 -0.955) 1.588 1.568 ( 1.614 2.419 -0.939) 3.056 1.605 ( -0.730 -0.031 -0.407) 0.836 1.673 ( -1.023 -2.606 -1.134) 3.020 1.721 ( -0.209 -2.522 0.694) 2.624 1.739 ( -1.276 0.816 -1.690) 2.269 1.784 ( 1.865 1.022 -1.836) 2.810 1.802 ( 0.818 -0.289 0.037) 0.869 1.871 ( -1.831 -1.580 -1.131) 2.670 1.881 ( 0.210 -2.102 -0.765) 2.247 1.919 ( 1.941 -3.020 0.861) 3.692 1.944 ( 1.163 0.917 1.190) 1.900 1.952 ( -0.247 2.638 -1.132) 2.881 1.981 ( -0.420 0.824 0.754) 1.193 2.002 ( 1.080 2.071 0.312) 2.356 2.024 ( 0.104 2.146 0.501) 2.206 2.033 ( -1.775 1.633 -0.368) 2.440 2.052 ( -0.770 -2.603 0.259) 2.727 2.103 ( -0.195 -2.403 1.339) 2.757 2.114 ( 1.011 0.601 -0.943) 1.508 2.144 ( 1.113 0.093 -0.657) 1.295 2.176 ( -1.985 1.771 -0.162) 2.665 2.189 ( 0.840 -1.086 -1.674) 2.165 2.231 ( -0.093 1.444 0.273) 1.473 2.264 ( -1.084 0.507 1.191) 1.689 2.300 ( -0.864 1.268 -2.006) 2.526 2.309 ( 2.454 -0.037 0.167) 2.460 2.321 ( 1.861 -1.270 -4.350) 4.899 2.344 ( 0.868 -1.726 -3.316) 3.838 2.424 ( 0.131 -0.880 0.322) 0.946 2.468 ( 0.605 1.059 0.266) 1.248 2.487 ( -0.359 0.359 -1.349) 1.441 2.570 ( 1.939 0.405 -4.708) 5.107 2.627 ( -2.266 -0.994 -0.549) 2.535 2.636 ( 1.522 -2.741 1.683) 3.559 2.670 ( 0.112 0.140 2.730) 2.736 2.692 ( -0.200 0.389 -0.918) 1.017 2.743 ( -1.267 -0.378 -2.449) 2.783 2.769 ( 0.340 0.282 -0.353) 0.565 2.784 ( 1.586 1.477 1.002) 2.387 2.882 ( 0.786 -1.905 -2.873) 3.536 2.903 ( -0.660 1.124 -0.183) 1.316 2.951 ( 0.033 -0.719 0.911) 1.161 2.965 ( -0.004 -0.067 -0.121) 0.139 3.014 ( 0.355 0.780 -0.651) 1.076 3.149 ( -0.185 -0.728 0.459) 0.880 3.173 ( -0.297 -0.386 1.366) 1.450 3.221 ( 0.176 0.343 -0.792) 0.881 3.271 ( 0.875 0.309 -2.577) 2.739 3.340 ( -0.930 0.618 2.825) 3.038 3.350 ( -0.176 -1.891 0.433) 1.948 3.365 ( -0.725 -0.837 0.500) 1.215 3.377 ( 0.352 1.633 0.501) 1.743 3.473 ( -0.704 1.017 1.703) 2.105 3.497 ( -1.045 -0.598 3.012) 3.244 3.523 ( -0.581 -0.930 1.945) 2.233 3.567 ( -0.192 2.147 0.572) 2.230 3.615 ( -0.383 -1.147 0.377) 1.266 3.633 ( 0.023 -0.560 -0.204) 0.597 3.661 ( 0.606 0.992 -0.932) 1.490 3.673 ( -0.000 -0.179 -0.294) 0.344 3.699 ( 0.182 -0.733 -0.399) 0.854 3.807 ( 0.401 0.268 -1.222) 1.314 3.831 ( 0.757 -0.186 -2.025) 2.170 3.914 ( -0.198 -0.253 0.471) 0.570 3.927 ( -0.257 -0.464 0.608) 0.807 3.936 ( -0.055 0.710 0.325) 0.783 4.003 ( -0.002 -0.331 -0.001) 0.331 4.187 ( 0.006 -0.170 0.359) 0.397 4.211 ( -0.001 0.695 -0.472) 0.839 4.247 ( 0.186 -0.726 -0.421) 0.860 4.289 ( -0.185 -0.011 0.379) 0.422 4.348 ( 0.166 1.009 0.029) 1.023 4.366 ( 0.059 -0.769 -0.513) 0.926 5.279 ( 0.001 -0.003 -0.003) 0.005 ======================= Grid point 162 (72/117) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( -14.877 0.000 -0.689) 14.893 0.532 ( -14.418 0.000 7.915) 16.448 0.718 ( 6.174 -0.000 11.696) 13.226 0.740 ( 8.532 -0.000 5.967) 10.411 0.853 ( 3.504 -0.000 -8.506) 9.199 0.925 ( -20.737 0.000 3.330) 21.003 0.970 ( 3.040 -0.000 -6.154) 6.864 1.021 ( 0.559 -0.000 2.516) 2.577 1.067 ( 2.651 -0.000 -2.791) 3.850 1.115 ( 4.456 -0.000 -0.535) 4.488 1.176 ( 1.275 -0.000 1.366) 1.868 1.233 ( -1.477 0.000 2.456) 2.866 1.243 ( 2.040 -0.000 1.898) 2.787 1.272 ( 0.758 -0.000 5.611) 5.662 1.296 ( -1.432 0.000 -2.241) 2.660 1.335 ( -1.638 0.000 -2.289) 2.815 1.346 ( 2.536 -0.000 -2.362) 3.466 1.390 ( -1.789 0.000 0.396) 1.832 1.421 ( -1.776 0.000 2.474) 3.045 1.485 ( 1.089 -0.000 -1.324) 1.714 1.496 ( -0.514 0.000 4.240) 4.271 1.532 ( -1.032 0.000 0.955) 1.406 1.546 ( -0.759 0.000 -2.502) 2.615 1.619 ( 4.893 -0.000 -8.777) 10.049 1.706 ( 3.324 -0.000 2.252) 4.015 1.776 ( 0.099 -0.000 -3.099) 3.100 1.840 ( 0.679 -0.000 1.075) 1.271 1.865 ( 1.808 -0.000 -1.418) 2.297 1.903 ( 1.563 -0.000 -2.879) 3.276 1.904 ( -2.722 0.000 -0.599) 2.787 1.956 ( -1.445 0.000 -0.904) 1.705 1.968 ( 1.876 -0.000 -0.281) 1.897 2.003 ( -4.685 0.000 4.074) 6.208 2.073 ( -0.271 0.000 2.576) 2.591 2.123 ( 0.663 -0.000 -4.825) 4.870 2.138 ( -0.507 0.000 1.238) 1.338 2.172 ( -2.224 0.000 -1.297) 2.575 2.177 ( 3.640 -0.000 -2.073) 4.189 2.190 ( -1.833 0.000 -3.391) 3.855 2.254 ( 1.786 -0.000 -7.141) 7.361 2.284 ( 0.979 -0.000 1.242) 1.582 2.319 ( -1.997 0.000 -2.034) 2.850 2.349 ( -1.752 0.000 4.912) 5.215 2.376 ( -0.815 0.000 -0.961) 1.260 2.410 ( 0.617 -0.000 0.691) 0.926 2.456 ( 0.340 -0.000 1.368) 1.409 2.500 ( -0.122 0.000 -0.076) 0.144 2.565 ( 0.351 -0.000 -2.767) 2.789 2.609 ( 3.214 -0.000 -2.324) 3.966 2.694 ( -3.890 0.000 8.234) 9.106 2.714 ( -3.771 0.000 -4.706) 6.030 2.772 ( 0.797 -0.000 0.011) 0.797 2.870 ( 0.531 -0.000 1.704) 1.785 2.883 ( -3.660 0.000 4.763) 6.007 2.886 ( 1.126 -0.000 -1.578) 1.939 2.910 ( -0.092 0.000 -2.087) 2.089 2.945 ( -1.041 0.000 2.302) 2.526 2.974 ( 5.256 -0.000 0.026) 5.256 3.046 ( 6.876 -0.000 -4.328) 8.125 3.105 ( 1.483 -0.000 -1.144) 1.873 3.114 ( 2.060 -0.000 -2.509) 3.247 3.130 ( -3.885 0.000 -1.947) 4.345 3.170 ( -0.140 0.000 0.324) 0.353 3.226 ( -4.336 0.000 -4.288) 6.098 3.324 ( 2.836 -0.000 4.215) 5.081 3.361 ( -2.141 0.000 -0.625) 2.230 3.376 ( 1.245 -0.000 0.048) 1.246 3.451 ( -1.124 0.000 0.656) 1.302 3.523 ( -0.028 0.000 0.455) 0.456 3.557 ( -1.036 0.000 7.482) 7.553 3.670 ( -2.295 0.000 2.061) 3.084 3.682 ( 0.460 -0.000 0.971) 1.074 3.789 ( 1.936 -0.000 0.552) 2.014 3.832 ( 0.010 -0.000 0.034) 0.036 3.849 ( -0.073 0.000 -0.035) 0.081 3.870 ( 1.730 -0.000 -2.600) 3.123 3.917 ( 0.395 -0.000 -1.473) 1.525 3.951 ( -1.029 0.000 1.372) 1.715 4.060 ( 0.755 -0.000 -2.361) 2.478 4.084 ( 1.723 -0.000 -3.291) 3.715 4.333 ( 0.498 -0.000 -1.856) 1.922 4.347 ( -0.127 0.000 -0.249) 0.279 4.360 ( 0.124 -0.000 0.240) 0.270 4.389 ( 0.584 -0.000 -0.181) 0.612 4.532 ( -0.192 0.000 -0.106) 0.219 4.551 ( 0.213 -0.000 0.085) 0.229 5.329 ( 0.006 -0.000 -0.021) 0.022 ======================= Grid point 163 (73/117) ======================= q-point: (-0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( -10.762 -10.220 6.127) 16.057 0.627 ( -12.114 -10.183 1.334) 15.882 0.783 ( 5.430 -4.878 5.655) 9.234 0.849 ( 8.183 -4.494 5.096) 10.636 0.908 ( 4.666 -5.149 -4.481) 8.268 0.920 ( 0.346 -3.018 -4.568) 5.486 1.068 ( -1.213 -6.206 0.246) 6.328 1.120 ( -5.748 -9.482 -0.291) 11.092 1.158 ( -3.523 -2.429 -2.556) 4.984 1.189 ( -0.223 -2.776 1.874) 3.357 1.234 ( 0.147 -3.808 1.473) 4.086 1.259 ( 3.244 -9.562 -3.227) 10.600 1.299 ( -0.546 -2.443 1.674) 3.012 1.324 ( -4.538 -8.314 -0.439) 9.482 1.360 ( -2.424 -6.282 -1.419) 6.881 1.390 ( 0.935 -6.920 0.541) 7.003 1.422 ( -0.848 -3.780 -0.043) 3.875 1.443 ( 0.584 -4.463 5.042) 6.759 1.496 ( -1.423 -7.954 0.668) 8.107 1.526 ( 0.576 -1.269 -0.455) 1.466 1.562 ( -0.211 -6.252 0.388) 6.267 1.592 ( -2.359 -5.067 1.794) 5.870 1.655 ( 1.634 -7.696 -2.379) 8.220 1.704 ( 1.772 -5.804 -6.064) 8.579 1.751 ( 5.808 -4.183 4.112) 8.254 1.786 ( 3.319 -3.352 -0.245) 4.723 1.853 ( 3.310 -3.518 1.470) 5.048 1.881 ( -0.418 0.205 -1.643) 1.707 1.904 ( 0.144 -1.155 -3.716) 3.894 1.926 ( 0.155 -1.879 -0.361) 1.920 1.991 ( -1.768 -2.546 -0.893) 3.225 2.022 ( 0.136 -2.792 2.730) 3.907 2.056 ( 0.755 -3.776 2.894) 4.817 2.087 ( -1.415 -1.400 -0.885) 2.179 2.126 ( 2.460 -4.089 -0.021) 4.772 2.149 ( -0.592 0.682 -2.023) 2.216 2.153 ( -3.386 0.288 -5.098) 6.127 2.219 ( 2.746 -2.934 -2.703) 4.843 2.251 ( -2.038 -2.294 -2.179) 3.763 2.268 ( 1.293 -5.198 -2.281) 5.821 2.307 ( 0.341 -1.879 -2.604) 3.230 2.351 ( -0.812 -1.339 1.119) 1.925 2.371 ( 0.834 -5.221 -0.114) 5.289 2.403 ( 1.540 0.479 1.076) 1.939 2.419 ( 0.403 -0.919 -1.982) 2.221 2.465 ( -0.667 -1.570 3.997) 4.346 2.489 ( 0.140 0.872 1.294) 1.567 2.535 ( 1.500 1.582 1.541) 2.670 2.617 ( 0.912 -1.412 -0.897) 1.905 2.658 ( -2.723 2.211 -5.958) 6.914 2.712 ( -2.272 -0.969 3.018) 3.900 2.759 ( -2.068 1.087 -1.390) 2.718 2.819 ( -5.662 3.411 3.925) 7.687 2.877 ( 1.990 1.161 -1.172) 2.585 2.906 ( 2.833 1.252 -0.432) 3.127 2.914 ( 0.422 0.269 -0.218) 0.546 2.952 ( 1.718 1.896 -0.342) 2.581 2.955 ( 2.241 1.684 -0.284) 2.817 3.041 ( 2.806 -0.114 -2.507) 3.765 3.057 ( 0.557 -1.091 1.063) 1.622 3.079 ( 1.059 1.415 -2.729) 3.252 3.166 ( 0.496 -1.712 -1.570) 2.375 3.197 ( 0.039 -0.402 -3.519) 3.542 3.272 ( -0.824 -2.976 2.230) 3.809 3.312 ( 2.707 1.554 3.733) 4.866 3.357 ( -0.795 -0.244 -0.739) 1.113 3.370 ( 0.606 0.546 0.129) 0.825 3.437 ( -0.303 1.488 -0.151) 1.526 3.514 ( 0.358 1.284 1.624) 2.101 3.559 ( -1.837 -0.200 6.743) 6.992 3.657 ( 0.452 1.665 -0.303) 1.752 3.664 ( -1.338 0.548 2.230) 2.658 3.756 ( 1.284 3.280 0.561) 3.567 3.811 ( -0.128 1.893 0.423) 1.944 3.869 ( 0.365 -1.039 -0.724) 1.317 3.891 ( 0.805 -0.769 -0.784) 1.361 3.909 ( 0.718 0.680 -2.086) 2.309 3.951 ( 0.160 -0.074 1.198) 1.211 4.019 ( -0.945 1.623 -2.436) 3.076 4.054 ( 2.867 2.596 -2.076) 4.390 4.299 ( 0.914 2.226 -1.340) 2.754 4.357 ( 0.910 2.496 0.780) 2.769 4.361 ( 0.208 -0.019 0.204) 0.292 4.389 ( 0.189 -1.997 -0.742) 2.139 4.548 ( 0.534 -0.446 -1.024) 1.238 4.553 ( 0.177 0.134 -0.126) 0.256 5.322 ( 0.061 0.641 -0.006) 0.644 ======================= Grid point 164 (74/117) ======================= q-point: (-0.30 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( -3.297 -10.346 0.259) 10.861 0.842 ( -4.598 -12.304 1.199) 13.189 0.916 ( 0.521 -3.776 0.912) 3.919 0.959 ( 1.921 -8.430 0.213) 8.648 1.020 ( 3.149 -6.246 2.811) 7.538 1.080 ( 1.699 -8.535 1.444) 8.821 1.139 ( -1.471 -3.521 1.284) 4.026 1.145 ( 1.129 -3.002 -1.312) 3.465 1.232 ( -0.319 -2.685 -1.209) 2.962 1.299 ( -1.876 -2.246 0.021) 2.926 1.343 ( -0.737 -3.665 -0.162) 3.742 1.388 ( 0.642 -3.067 1.986) 3.710 1.426 ( 0.845 -5.464 -3.336) 6.457 1.466 ( 1.043 -3.483 -0.743) 3.711 1.492 ( -1.645 -6.889 -1.033) 7.157 1.513 ( -0.280 -3.639 1.154) 3.828 1.532 ( -1.658 -4.777 1.056) 5.166 1.576 ( -1.099 -8.111 2.270) 8.494 1.622 ( 0.532 -9.851 1.548) 9.986 1.655 ( -3.105 -8.093 0.037) 8.668 1.675 ( -0.684 -4.750 -0.892) 4.882 1.726 ( -0.065 -7.614 -1.448) 7.751 1.779 ( 0.061 -4.030 1.583) 4.330 1.801 ( 0.779 -1.832 1.358) 2.410 1.845 ( -0.686 -7.053 -2.797) 7.618 1.904 ( 0.973 -2.138 2.796) 3.652 1.926 ( -0.061 -3.775 0.451) 3.802 1.948 ( -1.716 -5.565 -0.395) 5.837 1.974 ( 0.527 -2.983 -0.163) 3.034 1.997 ( 2.053 -4.966 0.909) 5.450 2.041 ( 2.807 -2.095 -0.915) 3.620 2.083 ( 1.926 -3.033 2.482) 4.367 2.098 ( -0.429 -3.351 -1.901) 3.877 2.119 ( -0.401 -0.317 -0.631) 0.812 2.126 ( 0.605 -0.641 -3.456) 3.567 2.196 ( 2.342 -6.509 -2.617) 7.396 2.252 ( 1.503 -5.086 -1.843) 5.614 2.302 ( 0.050 -0.094 1.369) 1.373 2.316 ( -0.119 -5.029 -0.419) 5.048 2.335 ( -1.700 -1.441 3.320) 3.999 2.368 ( 1.242 0.216 1.302) 1.812 2.389 ( 0.782 -5.268 -2.008) 5.692 2.404 ( 1.085 -3.263 0.692) 3.508 2.449 ( 2.475 -2.918 1.664) 4.173 2.482 ( 2.173 -1.217 -0.106) 2.493 2.490 ( -0.331 -4.652 -0.827) 4.737 2.522 ( -1.984 -3.128 -0.327) 3.719 2.558 ( -1.538 -0.755 0.970) 1.969 2.597 ( 1.821 -1.442 -5.844) 6.289 2.657 ( -0.799 -1.133 -1.138) 1.794 2.712 ( -0.106 -0.106 1.705) 1.711 2.749 ( -2.584 -0.179 -1.052) 2.796 2.799 ( -1.581 1.380 -0.480) 2.153 2.835 ( 1.722 -1.584 0.917) 2.513 2.862 ( 1.603 2.311 -2.024) 3.465 2.888 ( 3.043 3.134 -1.961) 4.788 2.924 ( 2.602 -0.451 0.664) 2.723 2.933 ( -1.396 0.325 -1.112) 1.814 3.029 ( -1.499 1.936 -1.601) 2.926 3.070 ( 3.192 -0.992 -3.952) 5.176 3.108 ( 0.036 -1.452 0.092) 1.455 3.184 ( 1.588 0.253 -3.168) 3.552 3.208 ( 0.421 -1.837 1.846) 2.637 3.310 ( 1.599 0.141 2.011) 2.573 3.314 ( -0.690 -0.794 1.272) 1.650 3.355 ( 0.562 -0.483 0.719) 1.033 3.389 ( -1.763 -0.034 -2.012) 2.676 3.393 ( 2.438 -0.552 1.408) 2.869 3.492 ( -0.510 0.749 4.587) 4.676 3.557 ( -2.261 0.630 6.019) 6.461 3.632 ( 0.957 0.948 0.498) 1.437 3.648 ( 0.272 0.466 0.149) 0.560 3.698 ( 0.085 2.110 -0.074) 2.113 3.775 ( 0.620 1.565 0.957) 1.936 3.868 ( 1.160 0.867 -1.700) 2.233 3.894 ( 0.779 0.277 -1.300) 1.540 3.898 ( 0.027 0.427 -0.818) 0.923 3.930 ( 0.466 2.447 -0.547) 2.550 3.997 ( -0.966 0.999 -0.490) 1.474 4.020 ( 3.058 1.217 -0.791) 3.385 4.263 ( 0.677 1.160 -0.942) 1.641 4.314 ( 0.247 1.754 1.014) 2.041 4.354 ( 0.164 0.916 0.174) 0.946 4.410 ( 0.191 0.023 -0.609) 0.639 4.531 ( 0.626 2.303 -0.711) 2.490 4.535 ( 0.040 1.768 -0.352) 1.803 5.306 ( 0.055 0.810 0.001) 0.812 ======================= Grid point 165 (75/117) ======================= q-point: (-0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -0.538 -2.469 1.750) 3.074 1.029 ( 0.001 -7.343 -0.081) 7.344 1.082 ( -2.756 -9.473 2.704) 10.230 1.119 ( 1.502 -5.718 -0.240) 5.917 1.164 ( -0.612 -6.379 -1.019) 6.489 1.188 ( -0.429 -2.607 2.070) 3.357 1.204 ( -1.457 -3.238 2.392) 4.281 1.283 ( -0.938 -8.010 3.242) 8.692 1.324 ( 1.059 -5.246 -2.838) 6.058 1.374 ( 0.145 -5.894 -1.095) 5.996 1.393 ( -0.002 1.029 -1.098) 1.505 1.418 ( -0.399 -2.857 2.763) 3.995 1.480 ( 1.087 -2.021 -1.538) 2.763 1.521 ( -0.674 -1.281 -1.273) 1.928 1.557 ( -2.302 -3.430 3.130) 5.183 1.594 ( 2.082 -6.579 -1.847) 7.143 1.629 ( 4.305 -3.105 0.243) 5.314 1.690 ( -1.354 -3.069 1.487) 3.669 1.723 ( 2.907 0.633 1.193) 3.205 1.747 ( 1.259 -2.415 0.733) 2.821 1.783 ( -1.349 -1.586 -1.540) 2.589 1.798 ( -0.888 -2.929 1.713) 3.507 1.815 ( 1.239 -2.968 1.151) 3.416 1.877 ( 1.978 -1.712 -0.650) 2.696 1.948 ( -0.713 -0.845 1.097) 1.557 1.955 ( 1.182 -0.309 -0.878) 1.504 1.976 ( 0.615 -1.844 1.533) 2.476 2.005 ( -0.208 -1.289 -0.578) 1.428 2.038 ( -2.515 -0.532 -0.960) 2.744 2.059 ( -1.163 -5.738 0.941) 5.930 2.106 ( -3.123 1.083 -1.092) 3.481 2.131 ( 0.609 -2.670 -1.565) 3.154 2.152 ( 0.831 -3.066 -4.168) 5.241 2.179 ( 1.750 -2.362 -0.928) 3.082 2.202 ( -2.069 -6.275 2.449) 7.046 2.241 ( -3.026 1.136 2.431) 4.044 2.286 ( -0.922 -0.389 -1.339) 1.671 2.309 ( 0.701 3.230 1.470) 3.617 2.353 ( 3.906 -3.134 1.451) 5.214 2.382 ( 1.513 3.213 1.557) 3.878 2.411 ( -0.563 -3.454 -0.444) 3.528 2.441 ( -0.891 -2.109 0.308) 2.310 2.490 ( -0.732 -0.879 0.647) 1.314 2.500 ( 1.335 -1.371 -2.072) 2.820 2.523 ( 4.779 -3.735 0.521) 6.088 2.561 ( 1.376 -5.559 -5.300) 7.803 2.599 ( 0.878 -3.731 -0.380) 3.851 2.616 ( 1.311 0.580 0.208) 1.449 2.656 ( 1.549 -1.529 -1.787) 2.816 2.702 ( 0.409 -4.955 -0.681) 5.018 2.725 ( 1.747 -3.749 0.634) 4.184 2.775 ( 1.861 0.192 0.040) 1.871 2.804 ( 1.673 0.037 -0.613) 1.782 2.821 ( -2.068 -1.032 -2.362) 3.305 2.849 ( -0.077 0.005 1.817) 1.819 2.878 ( -0.508 -1.698 -2.425) 3.004 2.933 ( 1.463 -0.100 1.030) 1.792 2.969 ( -0.363 -4.268 -1.931) 4.699 3.043 ( -1.582 -5.695 -2.337) 6.355 3.108 ( 1.332 0.212 -2.041) 2.446 3.146 ( 2.558 -5.524 -1.229) 6.211 3.203 ( 1.769 -2.468 -1.481) 3.378 3.259 ( -0.722 -0.529 -0.460) 1.006 3.290 ( -1.199 -1.618 1.031) 2.262 3.323 ( -1.032 -1.283 2.147) 2.706 3.390 ( 0.958 -2.629 -0.122) 2.801 3.410 ( -0.288 -2.290 -1.216) 2.608 3.461 ( 1.422 -2.710 3.834) 4.906 3.489 ( -1.118 -0.840 4.399) 4.616 3.540 ( -2.408 0.685 4.872) 5.478 3.623 ( 1.066 -0.047 0.359) 1.125 3.658 ( 0.704 0.253 -0.330) 0.817 3.686 ( -0.024 -2.043 0.172) 2.050 3.761 ( 1.239 0.150 0.376) 1.303 3.846 ( 1.341 1.386 -2.266) 2.975 3.868 ( -0.278 2.931 -0.159) 2.948 3.885 ( 1.292 0.924 -1.049) 1.904 3.887 ( 0.075 0.940 -1.494) 1.767 3.968 ( -0.632 1.018 0.375) 1.256 4.007 ( 1.385 0.972 0.079) 1.694 4.252 ( 0.567 0.333 -0.541) 0.851 4.280 ( -0.375 2.096 0.097) 2.131 4.329 ( 0.100 1.270 0.748) 1.477 4.388 ( 0.277 2.269 -0.115) 2.289 4.462 ( 0.781 4.319 -0.293) 4.398 4.477 ( -0.288 3.755 -0.672) 3.826 5.292 ( 0.036 0.619 0.005) 0.620 ======================= Grid point 166 (76/117) ======================= q-point: (-0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -0.183 -0.088 -0.297) 0.359 1.137 ( -0.103 -1.937 1.276) 2.322 1.160 ( -0.254 -1.061 0.420) 1.169 1.201 ( 0.057 -1.197 1.911) 2.256 1.226 ( -1.667 -4.618 0.743) 4.965 1.286 ( -1.127 0.770 -1.856) 2.304 1.323 ( -0.319 -6.182 0.786) 6.240 1.330 ( -0.997 -5.240 2.005) 5.698 1.412 ( -0.077 -2.780 5.677) 6.322 1.437 ( -0.773 -0.540 1.936) 2.153 1.466 ( -0.757 -3.497 -0.309) 3.592 1.481 ( 0.440 -4.760 -0.033) 4.781 1.522 ( -0.895 -2.562 0.771) 2.821 1.584 ( -2.236 -2.289 -1.279) 3.446 1.602 ( 3.234 0.943 3.893) 5.148 1.655 ( 3.505 -0.298 -1.683) 3.900 1.706 ( 3.663 -1.059 1.180) 3.992 1.735 ( -1.918 0.092 -0.460) 1.974 1.766 ( 0.233 -4.191 -1.080) 4.334 1.782 ( -0.478 -0.763 -1.970) 2.166 1.806 ( 1.304 -5.090 -0.209) 5.258 1.831 ( 1.792 -3.204 1.832) 4.103 1.872 ( 2.583 1.056 2.644) 3.844 1.916 ( -0.659 -2.617 0.898) 2.844 1.956 ( -0.295 -2.809 -0.651) 2.899 1.983 ( -0.448 -1.117 0.336) 1.249 1.999 ( -0.827 0.519 -0.501) 1.097 2.017 ( -1.851 -0.587 0.524) 2.012 2.024 ( -2.073 -0.047 -0.639) 2.170 2.067 ( -0.815 0.895 -2.947) 3.186 2.121 ( 2.008 2.433 1.944) 3.705 2.126 ( -0.589 1.613 0.732) 1.867 2.156 ( -1.542 -0.326 -0.575) 1.678 2.193 ( -1.441 1.380 -0.262) 2.012 2.217 ( 1.286 -0.841 -2.413) 2.860 2.230 ( 0.169 1.925 1.823) 2.657 2.266 ( 1.970 -0.972 -3.422) 4.066 2.304 ( -0.662 2.216 -1.329) 2.667 2.329 ( 0.969 0.808 -0.488) 1.353 2.364 ( 1.582 3.112 1.843) 3.947 2.400 ( -0.543 3.630 -3.542) 5.101 2.433 ( -0.561 1.644 -1.202) 2.112 2.515 ( 0.351 1.643 -0.548) 1.767 2.546 ( -0.516 -3.921 0.084) 3.955 2.562 ( 0.935 2.530 -1.371) 3.026 2.572 ( 4.089 2.150 0.316) 4.630 2.598 ( 3.864 -2.440 0.408) 4.588 2.681 ( 0.601 -0.931 0.118) 1.114 2.715 ( 0.303 -0.945 1.839) 2.090 2.739 ( 0.320 1.016 -4.655) 4.776 2.759 ( 0.202 0.174 -0.801) 0.844 2.783 ( 2.074 -3.570 0.273) 4.138 2.842 ( -0.962 -0.750 -1.584) 2.000 2.873 ( -1.441 -4.261 0.980) 4.604 2.898 ( -0.052 -2.934 -0.912) 3.073 2.910 ( -1.307 -3.921 0.487) 4.162 2.979 ( 0.196 -3.507 -1.389) 3.778 3.091 ( 1.711 -5.083 0.015) 5.363 3.131 ( 0.839 -2.275 0.566) 2.490 3.181 ( 0.925 -5.638 -2.870) 6.394 3.243 ( -0.875 -3.480 -0.163) 3.593 3.262 ( 0.150 -2.305 -0.887) 2.474 3.311 ( 0.630 -4.149 1.596) 4.490 3.339 ( -0.075 -2.452 1.286) 2.770 3.384 ( -0.396 -2.540 -0.644) 2.650 3.428 ( -0.928 -3.196 1.421) 3.619 3.473 ( 0.533 -2.512 0.866) 2.710 3.486 ( 0.280 -1.354 3.303) 3.581 3.533 ( -1.701 -0.281 3.531) 3.929 3.551 ( -1.186 -3.523 0.965) 3.840 3.644 ( -0.067 -1.536 0.142) 1.544 3.661 ( 0.762 -1.038 0.288) 1.320 3.713 ( 0.752 1.973 -0.510) 2.172 3.750 ( 0.427 3.248 -0.641) 3.338 3.818 ( -0.428 1.127 -0.311) 1.245 3.827 ( 1.022 -0.422 -1.404) 1.787 3.876 ( 0.285 -1.133 -0.559) 1.295 3.888 ( 0.395 -1.709 -1.571) 2.355 3.964 ( -0.109 0.087 1.177) 1.185 3.985 ( 0.413 0.863 -0.004) 0.957 4.219 ( 0.467 2.910 0.430) 2.979 4.247 ( -0.369 0.501 -0.858) 1.060 4.294 ( -0.170 4.045 -0.944) 4.157 4.324 ( 0.407 2.563 1.964) 3.255 4.383 ( 1.161 3.100 0.521) 3.351 4.393 ( -0.797 3.320 -1.675) 3.803 5.282 ( 0.018 0.314 0.001) 0.315 ======================= Grid point 173 (77/117) ======================= q-point: (-0.40 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( -15.254 0.000 2.310) 15.428 0.461 ( -15.352 0.000 8.270) 17.438 0.764 ( -8.666 0.000 8.347) 12.032 0.792 ( -9.473 0.000 8.402) 12.662 0.798 ( 7.571 -0.000 3.189) 8.216 0.882 ( 4.104 -0.000 -4.876) 6.374 0.977 ( 3.388 -0.000 -5.783) 6.702 1.031 ( 0.731 -0.000 3.748) 3.819 1.069 ( 0.715 -0.000 -4.983) 5.034 1.143 ( 6.025 -0.000 -1.499) 6.209 1.183 ( -0.017 0.000 0.312) 0.312 1.228 ( -2.037 0.000 2.692) 3.376 1.251 ( -1.802 0.000 3.246) 3.713 1.261 ( -3.595 0.000 -2.075) 4.151 1.281 ( -1.893 0.000 -2.155) 2.868 1.325 ( -0.951 0.000 -3.107) 3.249 1.378 ( -2.203 0.000 -0.095) 2.205 1.380 ( 6.697 -0.000 4.109) 7.857 1.428 ( 2.849 -0.000 1.477) 3.209 1.486 ( 0.258 -0.000 -1.182) 1.209 1.508 ( 1.015 -0.000 5.361) 5.456 1.523 ( -1.790 0.000 -0.382) 1.830 1.545 ( 1.107 -0.000 -0.818) 1.377 1.625 ( 3.403 -0.000 -8.360) 9.026 1.722 ( -1.508 0.000 0.449) 1.573 1.772 ( 3.310 -0.000 -1.299) 3.556 1.848 ( 1.057 -0.000 0.393) 1.128 1.876 ( 1.937 -0.000 -0.641) 2.040 1.884 ( -2.600 0.000 -1.064) 2.809 1.902 ( -0.346 0.000 -2.717) 2.739 1.956 ( 2.122 -0.000 0.376) 2.155 1.973 ( -0.138 0.000 -0.018) 0.139 2.005 ( 1.612 -0.000 5.156) 5.402 2.065 ( -2.994 0.000 0.522) 3.040 2.126 ( 2.365 -0.000 -2.478) 3.426 2.136 ( -2.389 0.000 -2.057) 3.153 2.147 ( -0.443 0.000 -3.952) 3.977 2.181 ( -0.207 0.000 -2.681) 2.689 2.194 ( 3.708 -0.000 -2.144) 4.283 2.255 ( 2.476 -0.000 -4.339) 4.996 2.291 ( 0.827 -0.000 0.391) 0.915 2.303 ( -2.054 0.000 -0.954) 2.265 2.351 ( -0.787 0.000 4.199) 4.272 2.370 ( -0.827 0.000 -0.711) 1.091 2.420 ( 1.430 -0.000 1.675) 2.202 2.451 ( -2.852 0.000 1.465) 3.207 2.509 ( 2.761 -0.000 0.362) 2.784 2.564 ( 1.330 -0.000 -2.712) 3.020 2.620 ( 1.517 -0.000 -1.310) 2.005 2.684 ( -2.137 0.000 -6.476) 6.819 2.691 ( -3.019 0.000 8.340) 8.870 2.772 ( -1.671 0.000 2.069) 2.660 2.843 ( -8.834 0.000 1.858) 9.027 2.877 ( 0.556 -0.000 1.474) 1.576 2.898 ( 3.432 -0.000 -1.247) 3.651 2.908 ( 0.785 -0.000 -1.792) 1.957 2.958 ( 3.140 -0.000 1.596) 3.523 3.021 ( 7.595 -0.000 2.031) 7.862 3.063 ( 2.140 -0.000 -4.494) 4.978 3.096 ( -2.808 0.000 -2.775) 3.948 3.118 ( 1.225 -0.000 -2.933) 3.179 3.139 ( 6.726 -0.000 -1.055) 6.808 3.171 ( 0.048 -0.000 0.535) 0.537 3.197 ( -1.834 0.000 -2.970) 3.491 3.346 ( 1.615 -0.000 3.328) 3.699 3.349 ( -1.452 0.000 -0.297) 1.483 3.384 ( 1.528 -0.000 -0.342) 1.566 3.452 ( 0.537 -0.000 1.375) 1.476 3.523 ( 0.105 -0.000 0.071) 0.126 3.566 ( -1.249 0.000 6.963) 7.074 3.664 ( -1.433 0.000 2.317) 2.724 3.686 ( 0.153 -0.000 0.835) 0.849 3.804 ( 2.559 -0.000 0.381) 2.587 3.832 ( 0.098 -0.000 0.043) 0.107 3.848 ( -0.187 0.000 -0.034) 0.190 3.875 ( 1.912 -0.000 -2.882) 3.458 3.918 ( 0.815 -0.000 -1.527) 1.731 3.952 ( 0.644 -0.000 1.015) 1.202 4.050 ( -1.467 0.000 -4.916) 5.130 4.094 ( 3.386 -0.000 -2.048) 3.957 4.333 ( 0.786 -0.000 -1.363) 1.574 4.346 ( 0.001 -0.000 -0.187) 0.187 4.361 ( 0.080 -0.000 0.180) 0.197 4.397 ( 2.102 -0.000 -0.109) 2.105 4.530 ( -0.174 0.000 -0.067) 0.187 4.553 ( 0.139 -0.000 0.044) 0.146 5.329 ( 0.155 -0.000 -0.022) 0.156 ======================= Grid point 174 (78/117) ======================= q-point: (-0.30 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( -10.846 -11.959 2.282) 16.305 0.578 ( -9.208 -11.533 8.062) 16.816 0.823 ( 4.450 -4.299 4.071) 7.406 0.896 ( 3.782 -5.777 -0.144) 6.906 0.920 ( 2.491 -6.313 1.637) 6.982 0.928 ( 4.491 -4.743 -2.754) 7.089 1.046 ( -6.023 -11.706 2.660) 13.431 1.092 ( -3.590 -2.470 -4.066) 5.960 1.140 ( 0.571 -1.739 -0.960) 2.067 1.193 ( 0.036 -3.921 1.602) 4.236 1.237 ( -0.101 -3.611 1.012) 3.752 1.271 ( 1.879 -5.375 -3.269) 6.566 1.291 ( -4.538 -9.166 -0.915) 10.269 1.299 ( -1.259 -3.673 2.262) 4.493 1.347 ( -0.843 -5.788 -1.841) 6.132 1.393 ( -0.191 -6.690 -0.350) 6.702 1.425 ( 1.469 -3.999 1.451) 4.501 1.454 ( 0.553 -4.731 2.261) 5.272 1.490 ( -1.072 -6.731 0.086) 6.817 1.533 ( 1.222 -2.321 1.309) 2.931 1.561 ( -0.577 -4.134 -0.311) 4.186 1.583 ( -2.038 -4.704 3.201) 6.044 1.662 ( 2.090 -8.766 -1.952) 9.221 1.692 ( -1.511 -4.967 -4.154) 6.649 1.762 ( 0.908 -4.420 -3.707) 5.840 1.835 ( 6.451 -3.297 6.708) 9.873 1.870 ( -0.660 -0.926 -1.108) 1.588 1.883 ( 4.303 -4.671 1.104) 6.446 1.900 ( 1.589 -1.286 -3.211) 3.806 1.933 ( 2.421 -2.171 -1.068) 3.423 1.981 ( -0.797 -3.108 -1.938) 3.749 2.032 ( 1.283 -2.021 3.564) 4.294 2.066 ( -0.589 -2.514 1.190) 2.843 2.078 ( 0.087 -3.708 0.660) 3.767 2.126 ( -0.157 -1.153 -7.141) 7.235 2.142 ( 2.816 -3.304 -1.309) 4.534 2.147 ( 0.341 1.840 -0.740) 2.012 2.230 ( 1.564 -0.142 -1.603) 2.244 2.235 ( -1.109 -5.028 -1.458) 5.351 2.269 ( 0.934 -4.923 -2.754) 5.717 2.304 ( 0.681 -2.684 -2.840) 3.966 2.351 ( -0.560 -1.146 2.161) 2.510 2.375 ( 0.641 -3.914 -0.445) 3.991 2.412 ( 0.930 -1.143 -2.141) 2.599 2.419 ( 1.053 -0.214 0.714) 1.290 2.467 ( -1.528 -2.667 3.195) 4.434 2.498 ( 0.973 1.780 3.617) 4.147 2.549 ( 2.521 0.583 0.470) 2.630 2.611 ( -2.747 -0.537 0.032) 2.799 2.635 ( -0.093 2.841 -6.877) 7.441 2.704 ( -2.416 -0.865 3.016) 3.960 2.741 ( -3.600 1.380 0.553) 3.895 2.799 ( -3.225 1.655 2.468) 4.385 2.884 ( 1.914 1.666 -2.673) 3.685 2.911 ( -0.641 0.473 -0.266) 0.840 2.922 ( 2.707 -0.388 -0.802) 2.850 2.965 ( 3.207 4.019 -0.677) 5.186 2.966 ( 0.565 1.471 0.733) 1.737 3.039 ( -0.112 0.818 -3.157) 3.263 3.073 ( 1.841 -1.320 1.953) 2.991 3.091 ( 4.617 1.668 -2.512) 5.514 3.166 ( 1.042 -2.071 -2.870) 3.690 3.201 ( 2.551 -0.295 0.071) 2.569 3.276 ( 1.259 -3.063 0.580) 3.362 3.334 ( 1.970 1.374 2.964) 3.815 3.352 ( -0.081 -0.757 -0.158) 0.777 3.373 ( 0.186 0.916 -0.024) 0.935 3.439 ( 0.932 1.783 0.237) 2.025 3.516 ( -0.478 0.944 0.623) 1.228 3.564 ( -1.710 0.121 6.898) 7.108 3.657 ( -0.339 0.883 0.407) 1.030 3.666 ( 0.314 1.091 1.592) 1.955 3.766 ( 1.769 3.733 0.382) 4.149 3.812 ( 0.131 1.675 0.472) 1.745 3.870 ( 0.363 -1.183 -0.465) 1.322 3.894 ( 1.060 -0.507 -1.257) 1.721 3.911 ( 1.381 0.717 -1.963) 2.505 3.957 ( 1.036 0.106 0.691) 1.250 4.005 ( -1.884 1.135 -2.457) 3.298 4.071 ( 3.935 2.481 -1.816) 4.994 4.301 ( 0.796 2.166 -1.306) 2.652 4.361 ( 0.149 0.555 -0.006) 0.575 4.369 ( 1.909 2.281 0.752) 3.068 4.389 ( 0.455 -2.018 -0.817) 2.224 4.549 ( 0.628 -0.523 -1.219) 1.468 4.554 ( 0.157 0.149 -0.181) 0.282 5.322 ( 0.159 0.658 -0.008) 0.677 ======================= Grid point 175 (79/117) ======================= q-point: (-0.20 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -1.597 -12.979 0.039) 13.076 0.826 ( -3.206 -12.777 4.821) 14.028 0.922 ( 1.104 -1.415 -0.528) 1.871 0.972 ( 2.757 -8.299 0.107) 8.745 1.041 ( 1.749 -3.956 1.771) 4.674 1.088 ( 0.186 -8.380 0.684) 8.410 1.128 ( -0.953 -5.711 -0.418) 5.805 1.161 ( 3.075 -2.040 1.333) 3.923 1.229 ( -0.267 -2.078 -0.848) 2.261 1.286 ( -2.761 -2.250 0.759) 3.641 1.338 ( -0.934 -4.280 -0.039) 4.380 1.394 ( 0.433 -3.184 0.360) 3.234 1.427 ( 1.327 -6.964 -1.977) 7.360 1.460 ( -4.065 -4.696 -0.856) 6.270 1.474 ( -1.212 -6.012 -1.053) 6.223 1.509 ( -1.153 -2.545 1.651) 3.246 1.536 ( 0.833 -9.414 0.620) 9.471 1.577 ( -0.043 -7.166 2.051) 7.454 1.627 ( -1.655 -9.220 1.564) 9.497 1.639 ( -0.147 -8.807 0.949) 8.859 1.681 ( 2.178 -3.419 -0.821) 4.136 1.725 ( 0.343 -9.147 -0.967) 9.205 1.779 ( -0.480 -4.099 0.612) 4.172 1.808 ( 0.713 -1.723 0.909) 2.075 1.839 ( -0.097 -5.803 -1.009) 5.891 1.911 ( -0.693 -3.207 2.408) 4.070 1.926 ( -1.179 -4.208 1.767) 4.714 1.937 ( -0.601 -3.944 -1.710) 4.340 1.975 ( 0.709 -2.476 -0.720) 2.674 2.008 ( 0.946 -2.176 1.306) 2.709 2.054 ( 1.706 -1.742 -1.230) 2.731 2.083 ( -0.788 -1.710 -5.976) 6.266 2.105 ( 2.396 -3.014 2.198) 4.433 2.123 ( 1.791 0.402 2.393) 3.016 2.135 ( 4.018 -2.112 -2.189) 5.040 2.206 ( 2.804 -6.324 -2.537) 7.368 2.255 ( 0.962 -5.276 -2.113) 5.764 2.307 ( 0.352 -2.371 2.317) 3.334 2.316 ( 0.695 -4.412 -0.990) 4.574 2.331 ( -1.836 -0.290 3.106) 3.620 2.375 ( -0.189 -0.777 1.624) 1.810 2.391 ( 2.173 -6.136 -2.606) 7.011 2.417 ( 1.843 -4.072 1.832) 4.831 2.466 ( 1.829 -2.421 1.642) 3.450 2.487 ( 0.617 -4.459 -0.627) 4.545 2.499 ( 2.453 -1.446 0.373) 2.871 2.513 ( -0.951 -3.030 0.329) 3.193 2.545 ( -1.458 1.826 -3.473) 4.186 2.601 ( 2.072 -3.991 -2.245) 5.026 2.643 ( -2.932 -2.488 -1.264) 4.048 2.716 ( -0.709 -1.238 2.139) 2.571 2.733 ( -1.578 -0.109 -2.057) 2.594 2.790 ( -0.608 0.875 -0.835) 1.354 2.847 ( 1.801 -0.735 0.197) 1.955 2.864 ( 0.986 2.498 -3.311) 4.263 2.901 ( 2.732 3.424 -1.459) 4.617 2.924 ( -0.938 0.587 -1.290) 1.700 2.942 ( 2.557 -0.134 1.451) 2.943 3.015 ( -1.909 1.708 -1.188) 2.824 3.082 ( 3.414 -0.728 -4.291) 5.531 3.113 ( 1.283 -0.520 0.634) 1.522 3.190 ( 2.236 -0.403 -1.903) 2.963 3.220 ( 1.790 -1.021 2.625) 3.338 3.311 ( -1.050 -0.648 0.793) 1.467 3.321 ( 1.045 1.428 1.083) 2.075 3.357 ( 0.136 -0.362 -0.067) 0.392 3.376 ( -0.869 -0.449 -1.996) 2.222 3.413 ( 2.983 -1.000 2.093) 3.778 3.497 ( -0.840 0.570 3.461) 3.606 3.557 ( -2.205 0.810 6.385) 6.804 3.639 ( 1.162 0.478 -0.234) 1.278 3.653 ( 0.980 0.684 1.106) 1.628 3.699 ( 0.312 2.433 -0.208) 2.462 3.782 ( 0.981 1.422 0.843) 1.923 3.872 ( 1.439 0.916 -1.568) 2.317 3.894 ( 0.367 0.235 -1.663) 1.719 3.900 ( 1.181 0.541 -0.759) 1.504 3.932 ( 0.605 2.549 -0.794) 2.737 3.989 ( -1.536 0.751 -0.157) 1.717 4.039 ( 3.538 1.590 -0.968) 3.998 4.265 ( 0.541 1.201 -0.994) 1.650 4.318 ( 0.478 2.083 0.830) 2.293 4.356 ( 0.315 0.921 0.233) 1.001 4.411 ( 0.279 -0.008 -0.567) 0.632 4.533 ( 0.641 2.244 -0.975) 2.529 4.534 ( 0.025 1.866 -0.229) 1.881 5.307 ( 0.095 0.827 0.004) 0.833 ======================= Grid point 176 (80/117) ======================= q-point: (-0.10 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -0.064 -1.952 2.057) 2.836 1.034 ( 1.214 -7.807 1.044) 7.969 1.074 ( -1.891 -9.733 3.192) 10.416 1.127 ( 1.531 -5.267 -0.646) 5.523 1.160 ( 0.072 -5.585 -0.476) 5.606 1.190 ( -0.569 -2.605 2.216) 3.467 1.201 ( -1.378 -2.755 2.191) 3.780 1.279 ( -2.112 -7.942 2.208) 8.509 1.322 ( 0.640 -6.043 -2.781) 6.683 1.366 ( -1.698 -5.607 -1.327) 6.007 1.393 ( 0.714 1.055 -1.199) 1.749 1.431 ( 2.065 -3.555 4.053) 5.773 1.479 ( -0.100 -1.057 -2.274) 2.510 1.512 ( -1.844 -2.183 -0.716) 2.946 1.553 ( -1.023 -3.844 2.495) 4.695 1.597 ( 0.663 -7.437 -2.516) 7.879 1.660 ( 5.221 -2.344 0.436) 5.740 1.687 ( -0.920 -2.947 2.311) 3.856 1.742 ( 2.506 -1.891 0.816) 3.244 1.756 ( 1.293 -0.603 0.305) 1.459 1.775 ( -0.542 -1.738 -0.996) 2.075 1.798 ( -0.138 -3.956 1.637) 4.283 1.828 ( 2.482 -2.365 0.924) 3.551 1.889 ( 2.035 -1.908 0.100) 2.791 1.937 ( -2.189 -0.195 -0.327) 2.222 1.962 ( 0.070 -0.845 -0.174) 0.865 1.986 ( 1.151 -2.142 1.274) 2.745 2.002 ( 0.063 -0.559 -0.657) 0.865 2.020 ( -2.054 -0.503 -1.068) 2.369 2.053 ( -1.060 -4.928 -0.152) 5.043 2.087 ( -2.916 0.280 -0.297) 2.944 2.131 ( -0.216 -1.786 0.043) 1.800 2.149 ( 0.947 -5.158 -3.977) 6.582 2.181 ( 0.282 -2.243 -0.659) 2.355 2.205 ( 0.940 -4.593 1.740) 5.000 2.237 ( -0.903 0.977 3.704) 3.935 2.279 ( -1.125 -0.134 -0.155) 1.144 2.315 ( 0.578 3.176 0.617) 3.286 2.367 ( -0.636 -0.577 1.882) 2.069 2.392 ( 1.354 1.255 -1.395) 2.314 2.412 ( 0.898 -4.307 0.792) 4.470 2.440 ( 0.510 -0.735 2.067) 2.253 2.479 ( -0.292 1.493 -5.223) 5.440 2.513 ( 1.992 -3.531 1.531) 4.334 2.544 ( 2.538 -2.824 -2.555) 4.576 2.569 ( 3.688 -6.932 -1.005) 7.916 2.603 ( 0.828 -2.683 -0.008) 2.808 2.621 ( 0.430 0.391 -0.927) 1.094 2.667 ( 3.333 -3.340 -1.054) 4.834 2.703 ( 0.292 -3.869 -0.976) 4.001 2.737 ( 2.137 -4.118 0.097) 4.640 2.784 ( 0.257 -1.310 -1.866) 2.295 2.805 ( -0.508 -0.059 -0.865) 1.005 2.813 ( 1.181 0.353 -0.198) 1.249 2.850 ( -0.362 0.511 0.230) 0.667 2.868 ( -1.285 -1.084 -1.740) 2.420 2.942 ( 0.713 0.412 1.135) 1.402 2.967 ( 0.629 -5.238 -1.210) 5.413 3.030 ( -1.029 -5.903 -2.467) 6.480 3.113 ( 1.573 -0.072 -1.481) 2.162 3.160 ( 2.825 -5.707 -1.499) 6.542 3.209 ( 1.345 -1.956 -1.570) 2.846 3.254 ( -0.741 0.458 -0.774) 1.165 3.286 ( -0.806 -2.214 1.419) 2.750 3.323 ( -0.791 -1.115 2.442) 2.798 3.391 ( -0.723 -2.111 -0.581) 2.306 3.407 ( 0.445 -2.757 -0.761) 2.894 3.478 ( 1.648 -2.627 3.531) 4.700 3.493 ( -0.729 -0.506 3.639) 3.746 3.537 ( -2.299 0.872 5.373) 5.909 3.631 ( 1.364 0.291 0.189) 1.408 3.661 ( 0.454 0.250 -0.287) 0.592 3.687 ( 0.414 -2.115 0.323) 2.179 3.769 ( 1.235 0.131 0.257) 1.269 3.849 ( 1.474 1.497 -2.381) 3.175 3.867 ( -0.042 2.891 -0.188) 2.898 3.884 ( -0.004 1.225 -1.612) 2.024 3.890 ( 1.207 1.012 -1.043) 1.889 3.964 ( -0.945 0.696 0.404) 1.241 4.016 ( 1.603 1.393 0.044) 2.124 4.252 ( 0.158 0.256 -0.875) 0.925 4.279 ( 0.087 2.308 0.444) 2.352 4.332 ( 0.092 1.312 0.662) 1.472 4.389 ( 0.334 2.186 -0.052) 2.212 4.465 ( 0.526 4.194 -0.788) 4.300 4.474 ( -0.117 3.915 -0.300) 3.928 5.292 ( 0.048 0.629 0.007) 0.631 ======================= Grid point 184 (81/117) ======================= q-point: (-0.30 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.364 ( -13.676 0.000 6.483) 15.134 0.388 ( -15.007 0.000 8.850) 17.422 0.662 ( -21.824 0.000 15.339) 26.675 0.829 ( 4.445 -0.000 8.454) 9.551 0.842 ( 5.874 -0.000 0.824) 5.931 0.899 ( 4.453 -0.000 -4.168) 6.099 0.985 ( 3.320 -0.000 -5.126) 6.107 1.045 ( 1.131 -0.000 4.000) 4.157 1.055 ( -0.754 0.000 -7.205) 7.244 1.175 ( -2.563 0.000 -0.316) 2.583 1.177 ( 5.143 -0.000 -0.818) 5.207 1.219 ( -2.526 0.000 1.490) 2.933 1.220 ( -5.340 0.000 -0.647) 5.379 1.259 ( 1.195 -0.000 -0.905) 1.499 1.268 ( -1.480 0.000 -0.318) 1.514 1.311 ( -1.327 0.000 -2.468) 2.802 1.367 ( -0.980 0.000 -0.433) 1.071 1.419 ( 3.712 -0.000 3.483) 5.090 1.463 ( 7.092 -0.000 1.491) 7.247 1.481 ( -1.031 0.000 -1.554) 1.865 1.514 ( -0.618 0.000 -0.281) 0.679 1.528 ( 1.345 -0.000 5.596) 5.755 1.552 ( 1.637 -0.000 0.276) 1.660 1.626 ( 2.057 -0.000 -5.694) 6.054 1.689 ( -6.155 0.000 -4.511) 7.631 1.810 ( 7.125 -0.000 2.313) 7.491 1.852 ( 0.218 -0.000 -0.533) 0.576 1.859 ( -4.088 0.000 0.682) 4.144 1.893 ( -1.068 0.000 -0.982) 1.451 1.897 ( 4.701 -0.000 -2.026) 5.119 1.973 ( 0.066 -0.000 3.685) 3.685 1.977 ( 3.238 -0.000 -0.121) 3.241 2.032 ( 4.164 -0.000 3.384) 5.366 2.045 ( -3.847 0.000 -0.398) 3.867 2.109 ( -0.421 0.000 -8.784) 8.794 2.134 ( 1.625 -0.000 -1.317) 2.092 2.149 ( 0.767 -0.000 -0.401) 0.866 2.169 ( -1.915 0.000 -2.945) 3.513 2.209 ( 3.080 -0.000 -3.086) 4.360 2.263 ( 3.029 -0.000 -2.512) 3.935 2.295 ( -0.126 0.000 -0.353) 0.375 2.297 ( 0.865 -0.000 0.268) 0.906 2.358 ( 0.419 -0.000 3.407) 3.433 2.364 ( -0.791 0.000 -0.445) 0.908 2.431 ( 0.292 -0.000 0.034) 0.294 2.436 ( -2.152 0.000 3.116) 3.787 2.527 ( 2.582 -0.000 0.847) 2.718 2.569 ( 2.402 -0.000 -3.552) 4.288 2.620 ( -1.038 0.000 0.433) 1.125 2.666 ( 0.797 -0.000 -6.610) 6.657 2.694 ( -2.326 0.000 8.511) 8.823 2.761 ( -4.551 0.000 4.667) 6.518 2.805 ( -4.005 0.000 -0.112) 4.007 2.882 ( 0.285 -0.000 0.665) 0.724 2.912 ( 1.628 -0.000 -0.868) 1.845 2.917 ( 3.309 -0.000 -0.668) 3.376 2.975 ( 1.621 -0.000 -0.831) 1.821 3.049 ( 0.896 -0.000 -4.907) 4.988 3.066 ( 1.879 -0.000 1.620) 2.480 3.096 ( 4.687 -0.000 0.146) 4.689 3.116 ( 0.340 -0.000 -3.529) 3.546 3.149 ( -1.237 0.000 -3.647) 3.851 3.173 ( 0.216 -0.000 0.572) 0.612 3.218 ( 8.927 -0.000 -0.081) 8.927 3.342 ( -1.049 0.000 0.072) 1.051 3.357 ( 0.414 -0.000 2.112) 2.152 3.394 ( 1.892 -0.000 -0.026) 1.892 3.460 ( 0.819 -0.000 1.485) 1.695 3.524 ( 0.025 -0.000 -0.113) 0.116 3.572 ( -1.526 0.000 6.352) 6.532 3.663 ( -0.390 0.000 2.417) 2.448 3.687 ( -0.238 0.000 0.688) 0.728 3.819 ( 2.156 -0.000 -0.204) 2.165 3.833 ( 0.170 -0.000 0.067) 0.182 3.847 ( -0.258 0.000 -0.031) 0.259 3.879 ( 1.719 -0.000 -3.207) 3.638 3.921 ( 1.593 -0.000 -1.223) 2.008 3.962 ( 1.820 -0.000 0.832) 2.001 4.024 ( -3.822 0.000 -4.785) 6.124 4.112 ( 3.796 -0.000 -1.730) 4.172 4.335 ( 0.768 -0.000 -1.179) 1.407 4.346 ( 0.120 -0.000 -0.110) 0.163 4.362 ( 0.015 -0.000 0.105) 0.106 4.413 ( 3.223 -0.000 -0.209) 3.230 4.529 ( -0.115 0.000 0.005) 0.115 4.553 ( 0.040 -0.000 -0.033) 0.053 5.331 ( 0.248 -0.000 -0.023) 0.249 ======================= Grid point 185 (82/117) ======================= q-point: (-0.20 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( -6.902 -13.702 4.844) 16.089 0.548 ( -6.979 -13.005 9.276) 17.432 0.850 ( 2.440 -4.341 2.112) 5.410 0.897 ( -2.074 -15.679 2.913) 16.082 0.943 ( 0.960 -4.492 2.703) 5.330 0.950 ( 4.944 -4.370 -2.734) 7.143 1.027 ( -1.538 -5.543 0.759) 5.803 1.057 ( -3.986 -1.507 -4.795) 6.415 1.159 ( 4.658 -2.509 0.630) 5.328 1.196 ( 0.370 -5.189 1.157) 5.330 1.236 ( -1.014 -2.623 0.472) 2.852 1.246 ( -5.345 -4.248 -2.863) 7.404 1.279 ( -1.775 -8.318 0.224) 8.508 1.301 ( 0.610 -5.119 0.349) 5.167 1.344 ( 1.098 -5.241 -0.913) 5.432 1.388 ( -0.785 -6.187 -0.199) 6.240 1.441 ( 2.922 -4.682 0.014) 5.518 1.463 ( 1.310 -3.555 2.362) 4.465 1.485 ( -0.246 -6.673 0.077) 6.678 1.542 ( 1.050 -4.075 0.828) 4.289 1.551 ( -2.441 -1.352 -0.365) 2.814 1.585 ( -0.084 -4.981 4.016) 6.399 1.669 ( 0.780 -6.750 -2.120) 7.118 1.674 ( -1.823 -6.928 -0.005) 7.164 1.758 ( 1.490 -6.672 -5.986) 9.087 1.858 ( -1.846 0.351 -1.273) 2.270 1.863 ( 0.104 -0.429 3.867) 3.892 1.906 ( 2.489 -2.272 -2.560) 4.232 1.919 ( 2.850 -5.280 4.002) 7.212 1.953 ( 5.443 -2.608 -2.035) 6.370 1.976 ( 1.088 -3.818 -2.698) 4.800 2.055 ( 0.138 -3.852 0.779) 3.933 2.055 ( 2.055 -0.866 1.803) 2.868 2.086 ( 0.414 -3.495 0.918) 3.637 2.124 ( 4.606 -3.213 -7.074) 9.032 2.145 ( -1.015 0.599 -0.734) 1.388 2.155 ( 2.233 -2.747 -0.853) 3.642 2.220 ( -1.160 -1.352 0.466) 1.841 2.247 ( 3.285 -3.148 -0.820) 4.624 2.268 ( 0.807 -4.575 -2.870) 5.461 2.302 ( 0.557 -2.708 -2.544) 3.757 2.351 ( -1.147 -1.246 1.940) 2.575 2.378 ( 1.048 -2.600 -1.002) 2.977 2.411 ( 1.089 -2.400 -3.193) 4.140 2.428 ( 0.569 0.354 1.990) 2.099 2.461 ( -2.297 -3.680 2.433) 4.973 2.511 ( 0.558 2.059 3.727) 4.294 2.560 ( 0.825 0.101 -2.277) 2.424 2.596 ( -1.168 2.150 0.429) 2.484 2.626 ( 0.535 1.993 -2.785) 3.466 2.693 ( -3.186 -1.047 1.658) 3.741 2.726 ( -2.011 1.664 2.773) 3.808 2.791 ( -0.866 0.383 1.411) 1.699 2.888 ( 1.269 1.682 -2.692) 3.418 2.908 ( -0.212 1.276 -0.529) 1.397 2.935 ( 2.234 -0.842 -0.936) 2.565 2.965 ( -0.120 1.651 -0.528) 1.738 2.985 ( 3.253 3.881 -0.571) 5.096 3.031 ( -0.743 1.344 -2.314) 2.778 3.089 ( 2.156 -1.575 2.288) 3.516 3.108 ( 2.793 1.780 -3.459) 4.789 3.171 ( 2.492 -2.403 -2.272) 4.141 3.222 ( 3.079 -0.397 2.308) 3.868 3.286 ( 1.941 -1.706 -1.499) 2.987 3.347 ( 0.783 0.862 2.132) 2.429 3.356 ( 0.955 -1.469 -0.036) 1.752 3.374 ( 0.949 1.606 0.433) 1.915 3.445 ( 0.716 1.926 0.263) 2.071 3.512 ( -1.079 0.850 0.549) 1.480 3.568 ( -1.779 0.266 6.644) 6.883 3.657 ( 0.110 0.829 0.419) 0.935 3.672 ( 0.667 0.890 1.825) 2.137 3.777 ( 1.505 3.931 -0.168) 4.213 3.815 ( 0.378 1.381 0.377) 1.480 3.871 ( 0.076 -1.377 -0.283) 1.408 3.899 ( 1.497 -0.254 -1.833) 2.380 3.917 ( 2.020 0.728 -1.845) 2.831 3.965 ( 1.083 0.615 0.338) 1.291 3.988 ( -2.144 0.285 -1.491) 2.627 4.090 ( 3.821 2.375 -1.891) 4.880 4.303 ( 0.688 2.164 -1.239) 2.587 4.362 ( 0.029 0.324 -0.015) 0.325 4.381 ( 1.363 1.595 -0.290) 2.117 4.393 ( 1.298 -0.698 -0.331) 1.511 4.550 ( 0.644 -0.569 -1.369) 1.617 4.554 ( 0.107 0.130 -0.270) 0.318 5.324 ( 0.197 0.685 -0.010) 0.712 ======================= Grid point 186 (83/117) ======================= q-point: (-0.10 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -0.384 -14.343 1.314) 14.409 0.824 ( -1.403 -13.453 6.311) 14.926 0.926 ( 0.796 -0.920 -0.943) 1.540 0.992 ( 3.911 -7.074 0.034) 8.083 1.040 ( -2.217 -3.260 -1.290) 4.148 1.089 ( 0.070 -8.670 0.761) 8.704 1.128 ( 0.625 -6.725 0.219) 6.758 1.185 ( 3.354 -0.251 1.758) 3.795 1.226 ( -0.177 -1.491 -0.221) 1.518 1.269 ( -3.497 -2.326 1.043) 4.328 1.334 ( -0.084 -5.021 0.058) 5.022 1.395 ( -0.007 -4.768 -0.927) 4.857 1.422 ( -5.199 -8.302 1.168) 9.865 1.438 ( 0.963 -2.504 -1.869) 3.270 1.467 ( -0.707 -7.801 -1.396) 7.956 1.512 ( 0.511 -2.068 2.852) 3.559 1.536 ( -1.493 -11.415 1.426) 11.600 1.586 ( 2.066 -7.108 0.144) 7.404 1.618 ( -0.772 -8.469 -0.355) 8.511 1.649 ( 0.985 -7.352 3.024) 8.010 1.693 ( 2.466 -4.161 -0.654) 4.881 1.726 ( 0.430 -9.911 -0.261) 9.924 1.777 ( -0.382 -4.855 -0.457) 4.891 1.813 ( 0.181 -2.290 0.994) 2.503 1.838 ( -0.136 -3.968 0.539) 4.007 1.907 ( -2.391 -4.675 2.617) 5.867 1.916 ( -2.310 -4.542 0.186) 5.099 1.938 ( 1.168 -1.999 -0.614) 2.395 1.981 ( 1.518 -1.787 -0.779) 2.471 2.016 ( 0.965 -2.588 1.022) 2.945 2.058 ( 0.615 -0.533 -0.536) 0.975 2.066 ( -0.218 -1.811 -7.318) 7.542 2.116 ( 0.795 -1.946 1.699) 2.703 2.143 ( 3.071 0.174 1.067) 3.256 2.161 ( 4.769 -1.274 -0.124) 4.938 2.217 ( 2.182 -4.607 -1.994) 5.474 2.256 ( 1.137 -5.702 -2.517) 6.336 2.312 ( -0.959 -5.247 2.556) 5.914 2.319 ( 0.556 -1.660 -0.570) 1.841 2.332 ( 0.448 -0.003 2.948) 2.982 2.372 ( -1.584 -1.312 0.338) 2.085 2.404 ( 3.016 -8.363 -1.632) 9.039 2.430 ( 1.235 -4.553 1.852) 5.068 2.479 ( 1.835 -3.416 0.654) 3.932 2.490 ( -0.132 -1.487 0.704) 1.650 2.508 ( 0.029 -2.251 -2.051) 3.045 2.512 ( 0.282 -2.263 2.159) 3.140 2.534 ( 1.891 0.062 -4.758) 5.120 2.600 ( -3.131 -5.961 0.053) 6.734 2.632 ( 1.627 -2.275 -0.477) 2.837 2.703 ( -3.029 0.113 -1.217) 3.266 2.731 ( 0.911 -0.989 0.723) 1.527 2.788 ( 0.615 0.022 -1.340) 1.475 2.855 ( 0.596 1.418 -1.759) 2.337 2.862 ( 1.608 1.331 -2.270) 3.084 2.910 ( 0.445 3.206 -1.293) 3.486 2.920 ( 0.917 1.102 -0.511) 1.522 2.959 ( 2.195 0.081 1.120) 2.465 3.002 ( -1.646 1.571 -0.955) 2.468 3.090 ( 2.579 -0.549 -4.570) 5.276 3.124 ( 1.865 -0.090 0.543) 1.945 3.202 ( 2.749 -0.315 -1.168) 3.003 3.236 ( 1.271 -0.356 3.292) 3.546 3.305 ( -1.601 -1.012 0.701) 2.020 3.329 ( 1.287 2.824 0.259) 3.114 3.353 ( -1.057 -0.091 -1.516) 1.851 3.371 ( 0.058 -0.534 -0.820) 0.981 3.435 ( 2.942 -1.644 2.201) 4.025 3.497 ( -1.343 0.283 2.583) 2.925 3.558 ( -2.140 0.926 6.601) 7.001 3.644 ( 1.042 0.108 -0.477) 1.151 3.662 ( 1.093 0.759 1.635) 2.108 3.701 ( 0.409 2.852 -0.292) 2.896 3.790 ( 0.864 1.339 0.614) 1.708 3.878 ( 1.528 0.891 -1.259) 2.171 3.893 ( 0.609 0.367 -2.114) 2.231 3.906 ( 1.356 0.615 -0.988) 1.787 3.934 ( 0.521 2.645 -0.981) 2.868 3.980 ( -1.555 0.628 0.334) 1.710 4.056 ( 2.855 1.873 -1.216) 3.624 4.265 ( 0.418 1.242 -0.992) 1.644 4.322 ( 0.395 2.345 0.620) 2.457 4.358 ( 0.277 0.946 0.179) 1.002 4.411 ( 0.324 -0.033 -0.498) 0.595 4.533 ( 0.131 2.064 -0.806) 2.219 4.535 ( 0.445 2.079 -0.517) 2.188 5.307 ( 0.099 0.847 0.008) 0.853 ======================= Grid point 195 (84/117) ======================= q-point: (-0.20 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.312 ( -9.604 0.000 11.423) 14.924 0.330 ( -11.403 0.000 11.797) 16.407 0.590 ( -16.051 0.000 22.498) 27.637 0.867 ( 2.431 -0.000 6.736) 7.161 0.872 ( 4.608 -0.000 -0.563) 4.642 0.914 ( 3.302 -0.000 -2.921) 4.408 0.994 ( 2.991 -0.000 -4.037) 5.024 1.030 ( -1.863 0.000 -9.104) 9.292 1.054 ( -0.742 0.000 0.672) 1.001 1.158 ( -3.084 0.000 2.114) 3.740 1.168 ( -5.272 0.000 -0.960) 5.359 1.205 ( -2.296 0.000 -0.223) 2.306 1.219 ( 3.327 -0.000 -1.033) 3.483 1.261 ( -1.631 0.000 1.368) 2.128 1.262 ( 0.624 -0.000 -2.886) 2.953 1.308 ( 2.233 -0.000 -0.002) 2.233 1.368 ( 1.383 -0.000 -0.332) 1.422 1.444 ( 2.817 -0.000 1.436) 3.162 1.469 ( -1.710 0.000 -1.990) 2.623 1.503 ( 5.015 -0.000 -0.076) 5.016 1.513 ( 0.188 -0.000 0.262) 0.322 1.550 ( 2.381 -0.000 7.228) 7.610 1.564 ( 1.842 -0.000 0.960) 2.077 1.625 ( -1.159 0.000 0.513) 1.268 1.645 ( -2.769 0.000 -8.853) 9.276 1.838 ( -3.243 0.000 0.832) 3.348 1.841 ( 0.095 -0.000 -1.207) 1.210 1.856 ( 3.062 -0.000 1.326) 3.337 1.886 ( -1.158 0.000 1.021) 1.544 1.924 ( 5.622 -0.000 -1.900) 5.935 1.975 ( -2.271 0.000 3.515) 4.185 1.999 ( 3.134 -0.000 1.342) 3.409 2.020 ( -4.225 0.000 -0.650) 4.275 2.068 ( 5.805 -0.000 2.681) 6.394 2.100 ( 3.866 -0.000 -9.127) 9.912 2.135 ( -3.213 0.000 -5.334) 6.227 2.140 ( 1.050 -0.000 -0.636) 1.228 2.161 ( -0.007 0.000 1.819) 1.819 2.216 ( 1.824 -0.000 -4.572) 4.923 2.281 ( 3.870 -0.000 -1.993) 4.353 2.299 ( -0.442 0.000 0.119) 0.458 2.300 ( 2.424 -0.000 0.043) 2.425 2.361 ( 0.274 -0.000 0.175) 0.325 2.370 ( 1.217 -0.000 2.318) 2.618 2.419 ( -2.411 0.000 1.350) 2.763 2.445 ( 0.909 -0.000 2.171) 2.354 2.538 ( 0.355 -0.000 0.524) 0.633 2.572 ( 1.589 -0.000 -6.393) 6.588 2.616 ( -0.243 0.000 0.616) 0.662 2.665 ( 2.038 -0.000 -3.539) 4.084 2.699 ( -1.916 0.000 8.695) 8.904 2.742 ( -4.684 0.000 5.372) 7.128 2.794 ( -0.133 0.000 -0.336) 0.362 2.884 ( 0.049 -0.000 0.081) 0.095 2.922 ( 1.921 -0.000 -0.045) 1.921 2.929 ( 0.306 -0.000 0.106) 0.324 2.973 ( 0.372 -0.000 -3.860) 3.878 3.042 ( 0.396 -0.000 -4.470) 4.488 3.084 ( 2.979 -0.000 2.569) 3.934 3.108 ( -0.320 0.000 -4.159) 4.171 3.127 ( 1.173 -0.000 0.476) 1.266 3.138 ( 3.239 -0.000 -1.642) 3.631 3.175 ( 0.250 -0.000 0.409) 0.480 3.271 ( 7.764 -0.000 -0.439) 7.776 3.335 ( -1.523 0.000 -0.031) 1.523 3.364 ( 1.198 -0.000 1.119) 1.639 3.404 ( 1.328 -0.000 0.520) 1.426 3.465 ( -0.255 0.000 1.219) 1.245 3.524 ( -0.137 0.000 0.457) 0.477 3.575 ( -1.594 0.000 5.642) 5.863 3.667 ( -0.129 0.000 1.967) 1.971 3.690 ( 0.955 -0.000 1.236) 1.562 3.826 ( 0.637 -0.000 -1.301) 1.448 3.835 ( 0.192 -0.000 0.104) 0.218 3.845 ( -0.251 0.000 -0.035) 0.253 3.879 ( 0.478 -0.000 -3.236) 3.271 3.933 ( 2.874 -0.000 -0.603) 2.937 3.975 ( 2.043 -0.000 0.731) 2.169 3.991 ( -4.522 0.000 -1.828) 4.877 4.129 ( 3.208 -0.000 -1.818) 3.687 4.338 ( 0.887 -0.000 -1.095) 1.409 4.347 ( 0.211 -0.000 -0.024) 0.212 4.362 ( -0.073 0.000 0.022) 0.076 4.431 ( 2.972 -0.000 -0.809) 3.080 4.529 ( -0.028 0.000 0.090) 0.094 4.553 ( -0.053 0.000 -0.124) 0.135 5.332 ( 0.254 -0.000 -0.026) 0.256 ======================= Grid point 196 (85/117) ======================= q-point: (-0.10 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( -2.739 -14.765 7.262) 16.681 0.535 ( -4.293 -13.985 9.912) 17.671 0.860 ( -0.501 -7.851 2.109) 8.145 0.891 ( -3.157 -16.485 4.619) 17.409 0.941 ( -1.897 -4.788 1.243) 5.298 0.975 ( 5.027 -3.831 -1.546) 6.507 1.013 ( -1.904 0.335 -5.226) 5.572 1.047 ( 2.089 -3.446 -0.158) 4.033 1.179 ( 0.702 -4.308 -1.747) 4.701 1.205 ( -1.385 -4.214 0.473) 4.461 1.212 ( -0.843 -7.429 0.453) 7.490 1.228 ( -2.154 -2.050 0.010) 2.973 1.269 ( -1.222 -6.562 1.164) 6.776 1.301 ( -0.210 -4.948 -1.571) 5.196 1.355 ( 2.074 -4.317 0.674) 4.837 1.386 ( 0.187 -6.052 1.175) 6.168 1.452 ( 1.442 -4.261 -2.008) 4.927 1.478 ( 1.919 -2.876 0.575) 3.505 1.491 ( 1.997 -7.643 0.678) 7.929 1.534 ( -2.655 -0.078 0.228) 2.666 1.549 ( 0.942 -5.717 -0.073) 5.795 1.596 ( 0.628 -4.100 4.711) 6.277 1.657 ( -2.471 -3.880 1.208) 4.756 1.678 ( 1.162 -9.623 -0.240) 9.696 1.754 ( 1.162 -7.910 -6.099) 10.056 1.846 ( -1.132 0.491 -1.112) 1.661 1.865 ( -1.239 -0.138 1.829) 2.213 1.914 ( 1.564 -2.804 -1.618) 3.596 1.929 ( -1.290 -1.501 2.730) 3.372 1.969 ( 1.601 -4.417 -2.097) 5.146 1.991 ( 4.894 -3.211 -3.026) 6.589 2.049 ( 0.109 -2.480 -1.110) 2.719 2.079 ( 0.430 -5.524 0.895) 5.612 2.094 ( 2.496 -1.423 1.634) 3.305 2.125 ( -2.494 -1.568 -0.295) 2.961 2.144 ( 5.154 -5.068 -7.073) 10.113 2.165 ( 1.980 -2.087 -0.820) 2.992 2.225 ( 1.180 -1.736 2.383) 3.176 2.257 ( 0.992 -2.823 -3.049) 4.272 2.280 ( 4.605 -2.373 1.057) 5.287 2.299 ( 0.319 -2.773 -2.185) 3.544 2.345 ( -2.099 -1.756 1.204) 2.990 2.384 ( 1.938 -1.754 -1.906) 3.235 2.410 ( 0.126 -2.842 -2.375) 3.706 2.433 ( -0.584 0.295 2.502) 2.586 2.455 ( -0.725 -3.369 2.173) 4.074 2.516 ( -1.056 1.795 2.335) 3.129 2.549 ( -0.737 1.337 -6.029) 6.219 2.599 ( -0.172 2.610 2.825) 3.850 2.632 ( 2.189 1.449 1.288) 2.924 2.677 ( -2.664 -1.420 1.203) 3.250 2.726 ( -0.447 1.708 2.963) 3.449 2.793 ( 0.687 0.212 1.073) 1.292 2.885 ( -0.665 1.282 -1.990) 2.459 2.907 ( 0.264 1.689 -0.823) 1.897 2.944 ( 1.616 -0.895 -0.790) 2.009 2.966 ( 0.638 0.881 -0.632) 1.258 2.999 ( 2.010 3.757 -1.414) 4.489 3.021 ( -1.050 1.925 -2.029) 2.987 3.105 ( 0.673 -0.837 2.617) 2.829 3.115 ( 3.333 1.190 -3.842) 5.223 3.183 ( 2.744 -2.642 -1.730) 4.183 3.240 ( 1.355 -1.262 2.089) 2.792 3.292 ( 1.193 0.550 -1.202) 1.780 3.349 ( -1.605 -0.709 0.689) 1.886 3.356 ( -0.157 0.649 -1.011) 1.211 3.394 ( 4.533 0.680 1.072) 4.707 3.447 ( -0.425 1.752 0.398) 1.846 3.507 ( -1.189 1.033 1.211) 1.987 3.570 ( -1.982 0.304 6.272) 6.585 3.659 ( 0.400 0.806 0.453) 1.008 3.682 ( 0.988 0.892 2.276) 2.637 3.781 ( 0.315 3.688 -0.913) 3.812 3.819 ( 0.784 1.239 0.115) 1.471 3.870 ( -0.151 -1.493 -0.349) 1.541 3.903 ( 1.192 -0.442 -2.410) 2.725 3.927 ( 2.678 1.054 -1.587) 3.286 3.965 ( -1.479 0.580 -0.323) 1.621 3.980 ( 0.176 0.088 0.475) 0.514 4.106 ( 2.758 2.316 -2.128) 4.184 4.304 ( 0.704 2.227 -1.127) 2.593 4.362 ( -0.043 0.246 -0.065) 0.258 4.384 ( 0.589 -0.225 -0.828) 1.041 4.400 ( 1.150 1.492 -0.349) 1.916 4.551 ( 0.602 -0.576 -1.427) 1.652 4.554 ( 0.035 0.097 -0.344) 0.359 5.325 ( 0.164 0.711 -0.010) 0.730 ======================= Grid point 206 (86/117) ======================= q-point: (-0.10 -0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.303 ( -3.137 0.000 15.216) 15.536 0.312 ( -4.090 0.000 15.436) 15.969 0.570 ( -8.179 0.000 26.491) 27.725 0.877 ( -3.275 0.000 3.720) 4.957 0.896 ( 4.309 -0.000 -1.173) 4.466 0.930 ( 3.561 -0.000 -0.850) 3.661 0.997 ( -1.872 0.000 -10.168) 10.339 1.001 ( 1.489 -0.000 -2.830) 3.198 1.033 ( -4.728 0.000 -4.408) 6.465 1.138 ( -3.848 0.000 -1.356) 4.080 1.148 ( -2.787 0.000 3.709) 4.639 1.201 ( 1.274 -0.000 1.810) 2.214 1.228 ( 0.621 -0.000 -0.938) 1.125 1.253 ( -1.841 0.000 1.140) 2.165 1.255 ( -0.228 0.000 -3.293) 3.301 1.337 ( 6.321 -0.000 1.345) 6.463 1.380 ( 2.726 -0.000 0.103) 2.728 1.455 ( -1.338 0.000 -2.284) 2.647 1.455 ( 0.463 -0.000 -1.525) 1.594 1.516 ( 0.405 -0.000 0.610) 0.732 1.519 ( 0.870 -0.000 0.099) 0.876 1.577 ( 1.584 -0.000 1.335) 2.071 1.586 ( 2.443 -0.000 7.677) 8.056 1.601 ( -2.540 0.000 -3.741) 4.522 1.638 ( 2.304 -0.000 -2.324) 3.273 1.825 ( -1.753 0.000 0.941) 1.990 1.827 ( -3.431 0.000 -1.847) 3.897 1.870 ( 0.240 -0.000 1.535) 1.554 1.879 ( -3.068 0.000 2.183) 3.765 1.954 ( 6.064 -0.000 -1.806) 6.327 1.960 ( -3.068 0.000 -0.280) 3.081 1.993 ( -4.386 0.000 -0.732) 4.447 2.022 ( 3.350 -0.000 2.334) 4.083 2.098 ( 0.398 -0.000 -4.448) 4.466 2.114 ( 3.954 -0.000 3.795) 5.480 2.118 ( 4.555 -0.000 -8.328) 9.493 2.145 ( 1.005 -0.000 -0.171) 1.019 2.169 ( 1.354 -0.000 2.675) 2.998 2.212 ( 0.644 -0.000 -5.710) 5.746 2.289 ( 1.394 -0.000 -3.444) 3.715 2.290 ( -2.482 0.000 -0.298) 2.499 2.330 ( 5.877 -0.000 1.569) 6.082 2.368 ( 1.539 -0.000 0.855) 1.761 2.378 ( 0.663 -0.000 -0.886) 1.106 2.414 ( -0.991 0.000 4.280) 4.393 2.452 ( -0.121 0.000 1.583) 1.588 2.535 ( -1.555 0.000 0.874) 1.784 2.560 ( 0.383 -0.000 -8.850) 8.858 2.617 ( 0.012 -0.000 -0.334) 0.334 2.669 ( 1.443 -0.000 -1.279) 1.928 2.707 ( -1.809 0.000 8.844) 9.027 2.732 ( -2.723 0.000 5.402) 6.049 2.801 ( 2.712 -0.000 -0.602) 2.778 2.883 ( -0.299 0.000 -0.038) 0.302 2.921 ( -2.065 0.000 -0.668) 2.171 2.933 ( 1.610 -0.000 0.406) 1.661 2.968 ( -0.064 0.000 -2.373) 2.374 3.031 ( -1.441 0.000 -3.265) 3.569 3.096 ( -0.440 0.000 -4.725) 4.746 3.107 ( 1.920 -0.000 3.486) 3.980 3.128 ( 2.713 -0.000 -2.447) 3.653 3.166 ( 4.154 -0.000 0.913) 4.254 3.177 ( 0.148 -0.000 0.156) 0.215 3.298 ( 1.359 -0.000 -0.863) 1.610 3.324 ( -1.511 0.000 -1.090) 1.863 3.372 ( 0.305 -0.000 0.427) 0.525 3.416 ( 2.514 -0.000 1.061) 2.729 3.465 ( -0.044 0.000 1.390) 1.391 3.523 ( -0.795 0.000 1.392) 1.603 3.576 ( -1.725 0.000 4.787) 5.088 3.670 ( 0.108 -0.000 1.731) 1.734 3.703 ( 2.081 -0.000 1.653) 2.658 3.820 ( -1.418 0.000 -2.274) 2.680 3.836 ( 0.091 -0.000 0.146) 0.172 3.844 ( -0.105 0.000 -0.050) 0.116 3.873 ( -0.551 0.000 -2.168) 2.237 3.952 ( 3.773 -0.000 -0.340) 3.788 3.966 ( -3.147 0.000 0.839) 3.257 3.988 ( 1.721 -0.000 0.498) 1.791 4.140 ( 1.788 -0.000 -2.054) 2.723 4.341 ( 1.046 -0.000 -0.936) 1.403 4.349 ( 0.262 -0.000 0.058) 0.269 4.361 ( -0.174 0.000 -0.057) 0.183 4.441 ( 1.492 -0.000 -1.740) 2.292 4.530 ( 0.068 -0.000 0.168) 0.181 4.552 ( -0.120 0.000 -0.207) 0.239 5.333 ( 0.172 -0.000 -0.030) 0.175 ======================= Grid point 207 (87/117) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( -0.000 0.000 -0.000) 0.000 0.623 ( 0.000 -0.000 -0.000) 0.000 0.700 ( 0.000 -0.000 0.000) 0.000 0.764 ( -0.000 0.000 0.000) 0.000 0.896 ( -0.000 0.000 0.000) 0.000 0.954 ( 0.000 -0.000 -0.000) 0.000 0.973 ( 0.000 -0.000 -0.000) 0.000 0.980 ( -0.000 0.000 0.000) 0.000 1.027 ( 0.000 -0.000 0.000) 0.000 1.108 ( 0.000 -0.000 -0.000) 0.000 1.157 ( 0.000 -0.000 0.000) 0.000 1.174 ( 0.000 -0.000 -0.000) 0.000 1.203 ( -0.000 0.000 0.000) 0.000 1.234 ( 0.000 -0.000 0.000) 0.000 1.343 ( -0.000 0.000 0.000) 0.000 1.371 ( 0.000 -0.000 0.000) 0.000 1.376 ( 0.000 -0.000 -0.000) 0.000 1.405 ( 0.000 -0.000 0.000) 0.000 1.412 ( -0.000 0.000 0.000) 0.000 1.436 ( 0.000 -0.000 -0.000) 0.000 1.523 ( 0.000 -0.000 0.000) 0.000 1.531 ( 0.000 -0.000 0.000) 0.000 1.601 ( 0.000 -0.000 0.000) 0.000 1.682 ( 0.000 -0.000 0.000) 0.000 1.758 ( -0.000 0.000 0.000) 0.000 1.775 ( 0.000 -0.000 0.000) 0.000 1.842 ( 0.000 -0.000 0.000) 0.000 1.865 ( 0.000 -0.000 0.000) 0.000 1.915 ( -0.000 0.000 0.000) 0.000 1.931 ( 0.000 -0.000 -0.000) 0.000 1.935 ( 0.000 -0.000 0.000) 0.000 1.981 ( 0.000 -0.000 0.000) 0.000 1.987 ( -0.000 0.000 0.000) 0.000 2.012 ( 0.000 -0.000 -0.000) 0.000 2.121 ( 0.000 -0.000 0.000) 0.000 2.144 ( 0.000 -0.000 -0.000) 0.000 2.150 ( -0.000 0.000 0.000) 0.000 2.209 ( 0.000 -0.000 0.000) 0.000 2.227 ( 0.000 -0.000 -0.000) 0.000 2.247 ( 0.000 -0.000 -0.000) 0.000 2.274 ( 0.000 -0.000 0.000) 0.000 2.321 ( 0.000 -0.000 0.000) 0.000 2.339 ( 0.000 -0.000 0.000) 0.000 2.390 ( 0.000 -0.000 0.000) 0.000 2.411 ( 0.000 -0.000 0.000) 0.000 2.476 ( -0.000 0.000 0.000) 0.000 2.502 ( 0.000 -0.000 -0.000) 0.000 2.596 ( -0.000 0.000 0.000) 0.000 2.614 ( 0.000 -0.000 -0.000) 0.000 2.632 ( 0.000 -0.000 0.000) 0.000 2.769 ( 0.000 -0.000 0.000) 0.000 2.847 ( 0.000 -0.000 0.000) 0.000 2.858 ( -0.000 0.000 -0.000) 0.000 2.865 ( 0.000 -0.000 0.000) 0.000 2.880 ( 0.000 -0.000 -0.000) 0.000 2.947 ( 0.000 -0.000 0.000) 0.000 2.958 ( 0.000 -0.000 0.000) 0.000 2.987 ( 0.000 -0.000 0.000) 0.000 2.999 ( 0.000 -0.000 0.000) 0.000 3.110 ( -0.000 0.000 -0.000) 0.000 3.151 ( 0.000 -0.000 0.000) 0.000 3.173 ( 0.000 -0.000 0.000) 0.000 3.213 ( -0.000 0.000 0.000) 0.000 3.230 ( 0.000 -0.000 0.000) 0.000 3.321 ( 0.000 -0.000 0.000) 0.000 3.359 ( 0.000 -0.000 0.000) 0.000 3.445 ( 0.000 -0.000 0.000) 0.000 3.472 ( 0.000 -0.000 0.000) 0.000 3.555 ( -0.000 0.000 0.000) 0.000 3.657 ( 0.000 -0.000 0.000) 0.000 3.681 ( 0.000 -0.000 0.000) 0.000 3.756 ( 0.000 -0.000 0.000) 0.000 3.767 ( 0.000 -0.000 0.000) 0.000 3.832 ( 0.000 -0.000 0.000) 0.000 3.838 ( -0.000 0.000 0.000) 0.000 3.843 ( 0.000 -0.000 0.000) 0.000 3.947 ( 0.000 -0.000 -0.000) 0.000 3.992 ( 0.000 -0.000 0.000) 0.000 4.005 ( 0.000 -0.000 0.000) 0.000 4.104 ( 0.000 -0.000 0.000) 0.000 4.334 ( 0.000 -0.000 0.000) 0.000 4.352 ( 0.000 -0.000 0.000) 0.000 4.358 ( 0.000 -0.000 0.000) 0.000 4.409 ( 0.000 -0.000 0.000) 0.000 4.534 ( 0.000 -0.000 0.000) 0.000 4.547 ( 0.000 -0.000 0.000) 0.000 5.333 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 209 (88/117) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 0.705 -7.318 -1.115) 7.436 0.702 ( -1.624 -7.393 -9.059) 11.805 0.741 ( 4.860 -6.914 9.361) 12.611 0.824 ( 0.100 -5.213 0.689) 5.259 0.941 ( -2.015 -4.415 0.905) 4.937 0.993 ( -6.159 -2.076 1.015) 6.578 1.019 ( 2.603 -2.922 -1.911) 4.355 1.092 ( 2.018 -5.803 0.632) 6.177 1.183 ( 0.997 -9.562 -2.215) 9.865 1.198 ( 0.474 -5.811 1.817) 6.107 1.212 ( -0.299 -10.540 -0.324) 10.549 1.254 ( 0.641 -6.826 -0.303) 6.862 1.287 ( 0.263 -7.908 0.056) 7.912 1.316 ( -1.662 -8.191 -3.375) 9.013 1.367 ( -1.585 -1.727 0.238) 2.356 1.386 ( 3.185 -1.744 2.643) 4.491 1.452 ( 0.424 -4.529 0.076) 4.549 1.477 ( -0.123 -5.572 0.395) 5.587 1.484 ( 0.146 -3.249 -1.947) 3.791 1.539 ( 0.336 -10.285 -0.228) 10.293 1.564 ( 0.484 -5.505 -2.349) 6.005 1.576 ( -0.246 -3.869 3.353) 5.126 1.647 ( -0.394 -8.652 0.545) 8.678 1.713 ( -1.109 -2.761 0.138) 2.978 1.770 ( -1.095 -1.797 -1.167) 2.407 1.817 ( 0.296 0.584 -0.343) 0.740 1.869 ( -0.056 -2.561 1.316) 2.880 1.887 ( -1.730 -2.076 -0.133) 2.706 1.936 ( -2.135 -3.613 1.373) 4.415 1.972 ( 1.910 -0.565 -1.568) 2.534 1.982 ( -3.069 -1.378 3.062) 4.549 2.026 ( -2.954 -3.822 -1.148) 4.965 2.041 ( -0.915 -7.676 -2.292) 8.063 2.068 ( 6.357 -7.744 -0.404) 10.027 2.112 ( 0.123 0.773 2.803) 2.910 2.139 ( 0.551 -1.299 -0.964) 1.709 2.195 ( -0.650 -4.237 -1.639) 4.589 2.227 ( 0.300 -1.071 1.415) 1.800 2.248 ( 0.054 -1.099 -3.055) 3.247 2.284 ( -0.927 -3.342 2.586) 4.326 2.325 ( -2.727 -1.048 0.998) 3.087 2.346 ( -0.161 -3.761 0.192) 3.770 2.357 ( 1.951 -2.001 -0.858) 2.923 2.369 ( 0.367 -0.517 -0.252) 0.682 2.405 ( -0.473 -0.353 -0.291) 0.658 2.467 ( -0.096 -0.965 -0.095) 0.975 2.510 ( -0.159 -0.299 0.052) 0.342 2.568 ( -3.006 1.717 -1.551) 3.793 2.612 ( 2.727 2.084 1.879) 3.913 2.678 ( 0.164 -5.636 -0.825) 5.699 2.732 ( -0.720 2.564 -0.079) 2.664 2.769 ( -0.920 3.358 -2.125) 4.079 2.817 ( 0.952 3.815 1.360) 4.161 2.875 ( -0.615 2.346 -0.707) 2.526 2.909 ( -0.633 0.117 -0.877) 1.088 2.932 ( 0.133 4.304 1.591) 4.590 2.953 ( -2.358 -0.556 0.558) 2.486 2.970 ( 1.861 0.979 0.407) 2.141 2.991 ( 0.374 -1.058 -0.589) 1.267 3.092 ( -0.869 2.746 -1.022) 3.056 3.124 ( -3.175 -0.383 0.299) 3.212 3.181 ( 3.232 -0.565 0.845) 3.388 3.238 ( -4.176 -2.052 -0.172) 4.656 3.264 ( 3.401 -1.157 0.571) 3.638 3.321 ( -0.919 -0.773 0.323) 1.244 3.355 ( 0.195 0.343 0.113) 0.411 3.435 ( -1.448 2.866 -0.658) 3.278 3.454 ( 0.226 -0.500 0.263) 0.608 3.532 ( -0.280 1.613 -0.163) 1.645 3.658 ( -1.286 1.603 1.168) 2.364 3.664 ( 0.585 -0.126 -1.141) 1.288 3.741 ( -0.853 0.897 -1.113) 1.665 3.751 ( 0.392 1.795 1.044) 2.113 3.806 ( 0.033 1.676 0.192) 1.688 3.866 ( -0.291 -1.309 0.361) 1.389 3.868 ( 0.511 -1.462 -0.013) 1.549 3.920 ( -1.243 1.727 -0.175) 2.135 3.959 ( 0.759 2.995 -0.252) 3.100 4.017 ( -0.261 -1.316 -0.417) 1.405 4.062 ( -0.797 3.367 0.543) 3.503 4.294 ( -0.330 2.344 -0.060) 2.368 4.358 ( 0.039 0.151 0.041) 0.161 4.380 ( -0.820 1.414 -0.051) 1.636 4.387 ( 0.530 -1.002 0.305) 1.174 4.541 ( -0.074 -0.109 -0.043) 0.139 4.548 ( 0.070 0.089 0.059) 0.128 5.325 ( -0.062 0.700 -0.002) 0.703 ======================= Grid point 210 (89/117) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -1.143 -10.231 -1.059) 10.349 0.889 ( 1.759 -9.116 0.124) 9.285 0.966 ( 1.627 -9.934 0.904) 10.107 0.978 ( 0.085 -9.557 -0.948) 9.604 1.025 ( -5.315 -4.114 -1.202) 6.827 1.078 ( -0.183 -9.751 1.315) 9.841 1.115 ( 1.859 -6.484 0.778) 6.790 1.172 ( 1.344 -1.580 0.014) 2.074 1.254 ( -1.566 -3.464 1.463) 4.073 1.302 ( -1.288 -2.631 -0.362) 2.952 1.340 ( 0.242 -2.333 0.209) 2.355 1.362 ( 0.543 0.547 -4.591) 4.655 1.395 ( 0.610 -0.642 3.004) 3.132 1.443 ( -0.473 -4.152 -0.189) 4.183 1.482 ( 0.770 -8.109 -0.866) 8.192 1.550 ( -0.481 -7.573 1.086) 7.665 1.563 ( 1.776 -8.881 0.794) 9.092 1.602 ( -1.346 -7.392 -1.130) 7.598 1.635 ( -0.607 -7.136 -3.610) 8.020 1.657 ( 0.834 -5.650 2.869) 6.391 1.701 ( -0.223 -1.347 0.062) 1.367 1.742 ( -1.804 -5.913 -1.179) 6.293 1.779 ( 1.079 -10.336 0.048) 10.392 1.822 ( 0.001 -6.056 -0.283) 6.062 1.862 ( 0.888 -5.991 -0.556) 6.082 1.895 ( -0.428 -3.301 -0.128) 3.331 1.926 ( 0.136 0.309 1.997) 2.025 1.949 ( -1.183 -7.081 3.215) 7.866 1.957 ( 1.321 -5.371 -2.485) 6.064 2.022 ( -1.514 -3.700 -3.952) 5.621 2.038 ( -0.496 -1.534 0.691) 1.754 2.058 ( -1.255 -4.676 -1.754) 5.149 2.090 ( -0.051 -0.867 3.580) 3.684 2.163 ( -2.171 -0.018 -0.568) 2.244 2.195 ( -2.295 -4.431 -0.941) 5.078 2.198 ( 1.546 -2.786 -0.479) 3.222 2.250 ( -0.439 -0.163 3.583) 3.614 2.281 ( 0.201 0.245 0.912) 0.966 2.311 ( -1.664 -1.442 -1.987) 2.966 2.333 ( 1.580 -4.109 0.798) 4.474 2.382 ( 0.002 -2.677 -0.137) 2.681 2.394 ( -0.619 -5.727 -0.173) 5.763 2.423 ( -1.473 -10.072 0.325) 10.185 2.453 ( -0.130 -1.473 1.347) 2.001 2.494 ( -1.527 -7.112 0.165) 7.276 2.520 ( 0.442 -2.031 0.170) 2.086 2.535 ( 0.035 -3.075 -2.161) 3.758 2.557 ( -0.307 -3.595 -1.556) 3.929 2.593 ( 2.117 -0.134 2.071) 2.964 2.667 ( -2.532 2.878 -0.745) 3.905 2.706 ( -0.268 3.490 -4.627) 5.801 2.740 ( -1.060 -0.451 1.799) 2.136 2.776 ( 1.707 -0.393 -0.004) 1.751 2.810 ( -1.344 4.656 0.557) 4.879 2.863 ( 0.359 3.336 0.436) 3.383 2.886 ( -0.369 -4.513 0.253) 4.535 2.924 ( -1.622 1.753 0.062) 2.389 2.968 ( -0.334 1.939 0.918) 2.171 2.989 ( 1.815 0.257 -0.710) 1.966 3.055 ( -1.021 0.273 -0.710) 1.273 3.116 ( -2.148 -0.114 -0.224) 2.162 3.177 ( 0.796 1.655 1.561) 2.410 3.280 ( -1.498 -2.097 1.713) 3.095 3.286 ( 1.021 -1.291 -1.113) 1.987 3.337 ( 0.330 3.662 -0.484) 3.708 3.349 ( -2.650 -1.034 -0.272) 2.858 3.375 ( 1.387 -1.206 0.155) 1.845 3.479 ( -2.087 -1.903 0.022) 2.825 3.512 ( 0.650 0.124 -0.032) 0.663 3.630 ( -0.838 0.273 0.318) 0.937 3.658 ( -0.217 0.728 -0.231) 0.794 3.689 ( -0.591 3.444 0.101) 3.496 3.722 ( -0.568 0.523 -0.472) 0.905 3.785 ( -0.284 0.796 0.390) 0.930 3.850 ( -0.884 2.084 0.653) 2.356 3.885 ( 0.006 2.439 -1.436) 2.830 3.893 ( 0.142 -0.629 -0.285) 0.705 3.904 ( 0.460 1.663 1.145) 2.070 3.996 ( -0.585 2.331 0.006) 2.403 4.035 ( -0.784 -0.071 0.289) 0.839 4.254 ( -0.194 1.273 0.033) 1.288 4.329 ( -0.222 1.924 0.046) 1.937 4.357 ( -0.121 0.606 0.172) 0.642 4.407 ( -0.076 -0.061 -0.050) 0.109 4.520 ( -0.042 2.271 0.048) 2.272 4.532 ( 0.005 1.687 -0.004) 1.687 5.308 ( -0.069 0.860 -0.006) 0.863 ======================= Grid point 211 (90/117) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -0.545 -1.751 -0.313) 1.860 1.069 ( -0.994 -8.472 -0.636) 8.554 1.116 ( -1.306 -7.137 -0.223) 7.259 1.137 ( -1.800 -5.891 0.026) 6.160 1.161 ( 0.047 -5.658 -2.016) 6.007 1.229 ( 2.646 -3.009 -0.725) 4.072 1.237 ( -0.746 -0.199 2.451) 2.570 1.268 ( 1.091 -6.786 -1.688) 7.078 1.316 ( -1.656 -4.931 0.258) 5.208 1.348 ( 0.465 -2.917 -1.800) 3.459 1.358 ( 1.292 -6.271 1.515) 6.579 1.403 ( 0.939 -2.934 3.116) 4.382 1.464 ( -0.446 -7.660 -1.058) 7.745 1.547 ( 0.238 -5.562 0.637) 5.604 1.597 ( -0.971 -0.360 -0.868) 1.351 1.626 ( -1.957 -3.335 1.472) 4.137 1.639 ( 0.261 -1.876 -2.868) 3.437 1.674 ( -0.355 -0.808 3.210) 3.329 1.724 ( -1.117 -1.467 -0.658) 1.958 1.755 ( -2.691 -5.182 0.028) 5.839 1.807 ( 2.590 -7.018 0.722) 7.515 1.836 ( -1.788 -1.963 -2.385) 3.569 1.855 ( -0.003 0.086 1.804) 1.806 1.911 ( -1.406 -0.337 1.765) 2.282 1.925 ( 1.673 -2.897 -0.351) 3.364 1.936 ( -2.983 -2.485 3.049) 4.937 1.986 ( 0.631 -0.194 -7.240) 7.270 2.021 ( -0.050 -0.755 -0.818) 1.115 2.039 ( -0.171 0.021 -0.091) 0.195 2.046 ( -1.094 -1.327 -1.690) 2.411 2.088 ( 1.088 -0.779 -0.014) 1.338 2.105 ( 0.201 -4.404 1.389) 4.622 2.161 ( 1.418 2.172 -0.745) 2.699 2.185 ( 1.356 -3.764 0.277) 4.011 2.220 ( -1.184 2.106 3.564) 4.306 2.249 ( 1.393 -0.182 -0.449) 1.475 2.276 ( -1.256 -0.561 0.082) 1.378 2.300 ( 1.578 -3.364 -0.516) 3.752 2.320 ( -2.051 1.231 1.265) 2.706 2.391 ( 0.936 0.547 -1.132) 1.568 2.420 ( 1.745 -0.895 -1.810) 2.669 2.439 ( -1.451 -4.013 0.363) 4.283 2.477 ( -0.966 1.744 1.838) 2.712 2.529 ( -1.204 0.052 2.044) 2.373 2.570 ( -1.734 -1.480 -2.718) 3.547 2.588 ( -2.126 -7.852 -1.196) 8.222 2.613 ( -2.799 0.507 -0.747) 2.941 2.631 ( -3.345 -4.129 -1.122) 5.431 2.647 ( -1.630 -3.350 1.594) 4.053 2.701 ( -0.021 -5.912 -0.144) 5.914 2.717 ( 0.079 -4.399 1.067) 4.527 2.740 ( 0.261 -0.963 -0.276) 1.035 2.760 ( 2.162 0.389 1.033) 2.427 2.809 ( 2.478 -2.548 0.553) 3.598 2.860 ( -1.608 0.891 -0.728) 1.977 2.869 ( 0.016 -0.618 -0.009) 0.618 2.939 ( -1.730 0.058 1.826) 2.516 2.969 ( 1.435 -2.497 -0.866) 3.008 3.015 ( 0.907 -5.310 -1.662) 5.637 3.107 ( -2.559 -4.167 0.137) 4.892 3.152 ( -0.454 -5.144 -0.986) 5.257 3.167 ( -0.376 -1.758 1.852) 2.581 3.236 ( 1.320 2.770 0.108) 3.071 3.317 ( -0.167 -1.642 -0.656) 1.776 3.360 ( 0.428 -3.904 0.895) 4.028 3.382 ( -1.221 -2.157 -1.687) 2.998 3.406 ( 0.228 -1.276 0.724) 1.485 3.507 ( -1.513 -1.131 0.763) 2.038 3.531 ( 0.129 -1.925 -0.385) 1.967 3.628 ( -0.813 1.740 0.354) 1.953 3.639 ( -0.236 -0.314 -1.082) 1.151 3.649 ( -0.436 -0.206 0.725) 0.870 3.724 ( -0.585 -1.111 -0.530) 1.363 3.769 ( -1.066 0.514 0.680) 1.365 3.808 ( -0.957 1.472 -0.231) 1.771 3.841 ( 0.920 1.651 0.383) 1.928 3.870 ( 0.086 1.811 -0.154) 1.819 3.882 ( 0.119 1.731 0.040) 1.736 3.965 ( -0.057 0.591 0.213) 0.630 4.023 ( -0.843 0.820 -0.014) 1.176 4.237 ( 0.192 0.740 0.219) 0.795 4.292 ( -0.351 1.855 -0.319) 1.915 4.340 ( -0.210 1.018 0.077) 1.042 4.387 ( -0.126 1.850 0.144) 1.860 4.447 ( 0.182 4.797 0.240) 4.807 4.477 ( -0.128 3.621 -0.196) 3.629 5.292 ( -0.045 0.649 -0.003) 0.650 ======================= Grid point 212 (91/117) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -0.351 2.261 -0.527) 2.348 1.145 ( -0.156 1.343 0.300) 1.385 1.164 ( 0.294 2.766 1.157) 3.013 1.200 ( 0.372 -3.640 0.685) 3.723 1.231 ( -0.125 -2.367 -2.003) 3.104 1.286 ( -0.847 -5.747 -1.342) 5.962 1.346 ( 0.847 -9.955 0.636) 10.011 1.398 ( -1.464 -3.298 -0.366) 3.627 1.434 ( 0.774 -3.766 0.318) 3.858 1.441 ( 0.502 -5.571 -1.795) 5.874 1.480 ( 0.680 -2.705 -1.122) 3.006 1.501 ( 2.024 -5.835 2.799) 6.781 1.558 ( 0.244 -0.481 -2.026) 2.096 1.578 ( -2.333 1.483 4.894) 5.621 1.596 ( -1.043 -1.456 -1.192) 2.152 1.673 ( -1.718 -1.526 -0.957) 2.489 1.686 ( 0.935 -2.713 -0.373) 2.894 1.752 ( -0.565 -2.264 0.711) 2.440 1.782 ( -3.761 -2.982 -0.358) 4.813 1.805 ( -4.588 -1.174 -1.644) 5.013 1.824 ( -2.250 0.130 2.095) 3.077 1.844 ( 2.003 -2.646 2.083) 3.918 1.868 ( -1.505 1.517 3.411) 4.025 1.929 ( -1.225 0.637 -4.585) 4.789 1.960 ( 1.179 -2.568 -0.400) 2.854 1.981 ( 1.627 0.106 0.682) 1.767 2.002 ( 2.626 -3.709 -3.249) 5.587 2.013 ( -0.224 1.456 -2.853) 3.211 2.021 ( 1.728 0.617 -1.369) 2.289 2.062 ( 0.596 -2.357 -0.357) 2.457 2.089 ( 0.208 0.235 2.402) 2.423 2.117 ( 0.880 2.017 0.761) 2.329 2.152 ( 1.267 1.379 3.369) 3.854 2.180 ( -2.904 2.741 1.850) 4.401 2.210 ( -0.067 2.417 -1.584) 2.891 2.216 ( 1.225 -1.120 -1.011) 1.943 2.271 ( 1.975 0.487 0.330) 2.061 2.288 ( -0.876 1.081 0.442) 1.459 2.299 ( 0.515 3.348 0.376) 3.408 2.313 ( -1.224 2.251 -0.372) 2.589 2.396 ( 2.247 2.343 -0.395) 3.270 2.452 ( -1.731 2.907 0.578) 3.433 2.502 ( 1.204 0.741 1.680) 2.196 2.505 ( -1.215 2.548 -2.515) 3.781 2.553 ( -0.788 -0.079 0.803) 1.128 2.606 ( -4.195 0.566 -0.507) 4.263 2.636 ( -2.786 2.301 1.863) 4.065 2.674 ( -0.836 -3.385 -0.938) 3.610 2.707 ( -1.237 -2.114 -1.587) 2.919 2.744 ( 0.854 -0.412 0.410) 1.033 2.751 ( -0.562 0.863 -1.008) 1.441 2.789 ( 1.212 -0.709 1.582) 2.115 2.838 ( -1.661 -2.870 0.328) 3.332 2.867 ( 1.379 -4.489 -1.377) 4.894 2.886 ( -0.215 -2.494 0.191) 2.511 2.925 ( 2.053 -5.180 -0.638) 5.608 2.955 ( -0.022 -2.909 0.255) 2.921 3.094 ( -1.264 -5.945 0.284) 6.084 3.137 ( -0.721 -4.872 0.913) 5.009 3.158 ( -1.127 -2.867 -1.264) 3.330 3.227 ( 1.622 -1.178 0.329) 2.032 3.262 ( -0.617 -6.662 -0.844) 6.743 3.307 ( 0.033 -6.681 1.782) 6.915 3.361 ( 0.190 -1.803 0.233) 1.828 3.383 ( -0.150 0.246 -0.850) 0.898 3.444 ( 0.463 -4.323 -0.808) 4.422 3.465 ( -0.160 -3.237 1.116) 3.428 3.523 ( -0.836 -0.665 0.418) 1.147 3.571 ( 0.324 -1.871 -0.419) 1.945 3.601 ( -0.390 0.776 -0.368) 0.943 3.652 ( -0.182 -1.506 -0.679) 1.662 3.660 ( -0.144 -0.800 0.805) 1.145 3.720 ( -0.330 3.004 -0.120) 3.024 3.737 ( -0.754 3.885 0.397) 3.978 3.788 ( -0.156 0.182 -0.689) 0.730 3.826 ( 0.022 1.523 0.549) 1.619 3.858 ( 0.472 -3.534 0.125) 3.568 3.877 ( -0.071 -2.147 -0.306) 2.169 3.973 ( -0.258 -1.178 0.408) 1.273 3.992 ( -0.451 1.994 -0.273) 2.063 4.211 ( 0.269 2.015 0.552) 2.107 4.253 ( -0.405 1.466 -0.747) 1.695 4.299 ( -0.782 4.180 -1.180) 4.413 4.332 ( 0.594 3.347 2.109) 4.000 4.361 ( 0.463 2.034 -0.091) 2.088 4.397 ( -0.414 3.400 -0.503) 3.462 5.282 ( -0.018 0.326 0.001) 0.327 ======================= Grid point 213 (92/117) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 0.000 0.000 -0.000) 0.000 1.119 ( -0.000 0.000 0.000) 0.000 1.134 ( -0.000 0.000 0.000) 0.000 1.245 ( -0.000 0.000 0.000) 0.000 1.259 ( 0.000 0.000 -0.000) 0.000 1.389 ( -0.000 0.000 -0.000) 0.000 1.393 ( 0.000 -0.000 0.000) 0.000 1.473 ( -0.000 0.000 -0.000) 0.000 1.487 ( -0.000 -0.000 0.000) 0.000 1.506 ( 0.000 0.000 -0.000) 0.000 1.524 ( -0.000 0.000 0.000) 0.000 1.531 ( -0.000 0.000 0.000) 0.000 1.551 ( 0.000 -0.000 -0.000) 0.000 1.570 ( 0.000 0.000 0.000) 0.000 1.615 ( -0.000 0.000 -0.000) 0.000 1.683 ( -0.000 0.000 -0.000) 0.000 1.699 ( -0.000 0.000 -0.000) 0.000 1.750 ( -0.000 0.000 0.000) 0.000 1.788 ( 0.000 0.000 -0.000) 0.000 1.807 ( -0.000 0.000 0.000) 0.000 1.824 ( -0.000 0.000 -0.000) 0.000 1.867 ( 0.000 0.000 0.000) 0.000 1.893 ( -0.000 0.000 -0.000) 0.000 1.928 ( -0.000 0.000 0.000) 0.000 1.953 ( 0.000 0.000 0.000) 0.000 1.984 ( -0.000 -0.000 -0.000) 0.000 2.003 ( 0.000 0.000 0.000) 0.000 2.040 ( -0.000 0.000 -0.000) 0.000 2.060 ( -0.000 0.000 0.000) 0.000 2.079 ( -0.000 -0.000 -0.000) 0.000 2.081 ( -0.000 0.000 0.000) 0.000 2.104 ( 0.000 0.000 0.000) 0.000 2.155 ( 0.000 0.000 0.000) 0.000 2.169 ( -0.000 -0.000 -0.000) 0.000 2.191 ( -0.000 0.000 0.000) 0.000 2.219 ( 0.000 0.000 -0.000) 0.000 2.226 ( -0.000 0.000 0.000) 0.000 2.249 ( 0.000 0.000 -0.000) 0.000 2.279 ( -0.000 0.000 0.000) 0.000 2.322 ( -0.000 -0.000 0.000) 0.000 2.327 ( 0.000 0.000 -0.000) 0.000 2.434 ( -0.000 0.000 0.000) 0.000 2.457 ( -0.000 -0.000 0.000) 0.000 2.462 ( -0.000 0.000 -0.000) 0.000 2.569 ( 0.000 0.000 0.000) 0.000 2.588 ( 0.000 0.000 -0.000) 0.000 2.615 ( -0.000 0.000 -0.000) 0.000 2.694 ( 0.000 0.000 0.000) 0.000 2.709 ( -0.000 0.000 -0.000) 0.000 2.743 ( -0.000 0.000 0.000) 0.000 2.762 ( -0.000 0.000 -0.000) 0.000 2.780 ( -0.000 0.000 -0.000) 0.000 2.882 ( 0.000 0.000 -0.000) 0.000 2.895 ( -0.000 0.000 0.000) 0.000 2.937 ( -0.000 0.000 -0.000) 0.000 2.970 ( -0.000 0.000 0.000) 0.000 3.010 ( 0.000 0.000 0.000) 0.000 3.156 ( 0.000 0.000 0.000) 0.000 3.193 ( -0.000 -0.000 0.000) 0.000 3.195 ( 0.000 0.000 -0.000) 0.000 3.243 ( -0.000 0.000 0.000) 0.000 3.357 ( -0.000 0.000 -0.000) 0.000 3.371 ( -0.000 0.000 0.000) 0.000 3.374 ( 0.000 -0.000 0.000) 0.000 3.378 ( -0.000 0.000 -0.000) 0.000 3.504 ( -0.000 0.000 0.000) 0.000 3.516 ( 0.000 0.000 -0.000) 0.000 3.558 ( -0.000 0.000 0.000) 0.000 3.593 ( -0.000 0.000 0.000) 0.000 3.624 ( -0.000 0.000 0.000) 0.000 3.626 ( -0.000 -0.000 -0.000) 0.000 3.640 ( -0.000 0.000 -0.000) 0.000 3.675 ( -0.000 0.000 0.000) 0.000 3.689 ( 0.000 0.000 -0.000) 0.000 3.796 ( -0.000 0.000 0.000) 0.000 3.798 ( 0.000 -0.000 -0.000) 0.000 3.920 ( -0.000 0.000 0.000) 0.000 3.934 ( 0.000 -0.000 0.000) 0.000 3.940 ( 0.000 0.000 0.000) 0.000 4.003 ( 0.000 0.000 0.000) 0.000 4.190 ( -0.000 0.000 -0.000) 0.000 4.207 ( -0.000 0.000 0.000) 0.000 4.241 ( -0.000 0.000 -0.000) 0.000 4.295 ( 0.000 0.000 0.000) 0.000 4.347 ( -0.000 0.000 0.000) 0.000 4.360 ( -0.000 0.000 -0.000) 0.000 5.279 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 220 (93/117) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 0.692 -0.000 -7.129) 7.162 0.611 ( 1.441 -0.000 -11.919) 12.006 0.729 ( 4.190 -0.000 11.398) 12.143 0.771 ( 0.105 -0.000 5.249) 5.250 0.881 ( -5.495 0.000 3.037) 6.278 0.952 ( -4.915 0.000 1.762) 5.222 0.961 ( 3.107 -0.000 -4.270) 5.281 1.000 ( 3.739 -0.000 -0.195) 3.745 1.030 ( 2.089 -0.000 -4.105) 4.606 1.114 ( 1.811 -0.000 0.684) 1.936 1.163 ( 1.853 -0.000 0.767) 2.005 1.180 ( 1.604 -0.000 0.599) 1.712 1.205 ( 0.277 -0.000 0.638) 0.695 1.231 ( -0.678 0.000 -0.698) 0.973 1.336 ( -1.587 0.000 -1.531) 2.205 1.363 ( -2.872 0.000 0.525) 2.920 1.381 ( 1.778 -0.000 -0.981) 2.030 1.409 ( -0.538 0.000 -0.149) 0.558 1.409 ( 1.130 -0.000 0.762) 1.363 1.443 ( 1.972 -0.000 0.196) 1.981 1.520 ( -1.201 0.000 0.764) 1.424 1.529 ( -0.280 0.000 -0.436) 0.518 1.596 ( -1.570 0.000 -0.336) 1.605 1.676 ( -2.411 0.000 0.911) 2.577 1.731 ( -5.788 0.000 -1.668) 6.024 1.792 ( 2.234 -0.000 1.789) 2.862 1.847 ( 1.467 -0.000 -0.287) 1.495 1.862 ( -1.164 0.000 0.272) 1.196 1.892 ( -6.242 0.000 3.305) 7.063 1.920 ( -3.912 0.000 0.034) 3.912 1.935 ( 0.493 -0.000 -0.860) 0.992 1.987 ( -0.917 0.000 3.328) 3.452 1.997 ( 4.328 -0.000 -0.692) 4.383 2.036 ( 8.391 -0.000 -5.562) 10.067 2.121 ( -0.510 0.000 1.842) 1.911 2.140 ( -0.568 0.000 -1.566) 1.666 2.148 ( -0.560 0.000 -0.610) 0.828 2.197 ( -2.324 0.000 -3.177) 3.937 2.224 ( -1.995 0.000 -0.566) 2.074 2.242 ( -0.315 0.000 -1.049) 1.095 2.279 ( 1.202 -0.000 0.954) 1.534 2.312 ( -2.914 0.000 4.329) 5.218 2.354 ( 3.071 -0.000 -0.013) 3.071 2.387 ( -0.835 0.000 -0.649) 1.058 2.407 ( -1.240 0.000 -0.533) 1.350 2.470 ( -1.655 0.000 0.086) 1.658 2.504 ( 0.628 -0.000 -0.276) 0.686 2.577 ( -3.760 0.000 -1.843) 4.188 2.613 ( -0.377 0.000 1.060) 1.125 2.653 ( 4.392 -0.000 -0.176) 4.396 2.763 ( -1.613 0.000 -0.078) 1.615 2.841 ( -0.470 0.000 -4.551) 4.575 2.847 ( 0.244 -0.000 -0.924) 0.955 2.877 ( -1.168 0.000 0.141) 1.176 2.889 ( 3.149 -0.000 4.078) 5.153 2.934 ( -3.619 0.000 0.258) 3.628 2.952 ( -2.298 0.000 0.087) 2.300 2.986 ( -0.772 0.000 1.462) 1.653 3.014 ( 3.734 -0.000 0.618) 3.785 3.096 ( -3.113 0.000 -1.430) 3.425 3.152 ( -1.026 0.000 0.979) 1.418 3.173 ( -0.006 0.000 0.132) 0.133 3.189 ( -3.977 0.000 -2.197) 4.544 3.255 ( 3.920 -0.000 1.776) 4.304 3.315 ( -1.825 0.000 0.500) 1.892 3.361 ( 0.357 -0.000 0.316) 0.476 3.437 ( -2.154 0.000 -0.470) 2.204 3.471 ( -0.267 0.000 -0.056) 0.273 3.551 ( -0.956 0.000 -0.489) 1.074 3.657 ( -0.445 0.000 1.119) 1.204 3.679 ( -0.319 0.000 -0.897) 0.952 3.746 ( -1.858 0.000 -1.513) 2.396 3.775 ( 1.155 -0.000 1.751) 2.098 3.834 ( 0.218 -0.000 0.641) 0.677 3.837 ( -0.296 0.000 0.041) 0.299 3.844 ( 0.294 -0.000 -0.069) 0.302 3.939 ( -2.390 0.000 0.163) 2.396 3.993 ( 0.250 -0.000 -0.731) 0.772 4.005 ( 0.574 -0.000 -0.822) 1.002 4.100 ( -1.527 0.000 0.706) 1.682 4.330 ( -1.021 0.000 -0.321) 1.071 4.351 ( -0.298 0.000 -0.153) 0.335 4.359 ( 0.212 -0.000 0.151) 0.260 4.409 ( -0.324 0.000 0.825) 0.887 4.534 ( -0.104 0.000 -0.142) 0.176 4.547 ( 0.165 -0.000 0.147) 0.221 5.333 ( -0.148 0.000 -0.002) 0.148 ======================= Grid point 221 (94/117) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 0.404 -6.440 -6.952) 9.485 0.691 ( 3.102 -9.435 -4.956) 11.100 0.797 ( 6.964 -5.741 9.572) 13.156 0.828 ( 0.346 -4.758 1.845) 5.114 0.923 ( -4.923 -5.188 2.383) 7.538 0.949 ( -8.921 -1.935 0.518) 9.143 1.026 ( 1.300 -2.849 -2.284) 3.876 1.111 ( 3.250 -5.980 1.064) 6.889 1.187 ( 2.247 -6.354 -3.568) 7.626 1.201 ( -1.216 -11.390 1.270) 11.525 1.213 ( 0.954 -7.327 0.329) 7.396 1.257 ( 0.315 -4.857 -0.926) 4.954 1.287 ( -1.841 -5.330 1.285) 5.784 1.299 ( 2.002 -8.145 -7.045) 10.954 1.363 ( -0.439 -3.952 0.745) 4.046 1.406 ( 0.526 -3.285 3.106) 4.552 1.461 ( 2.614 -5.521 0.635) 6.141 1.471 ( -1.177 -4.661 -2.482) 5.410 1.484 ( 1.559 -4.202 -1.570) 4.749 1.542 ( 0.605 -7.591 -0.308) 7.621 1.561 ( 0.088 -3.188 -2.412) 3.999 1.587 ( 1.062 -7.951 4.949) 9.426 1.645 ( -1.071 -9.105 1.496) 9.289 1.702 ( -2.339 -2.636 -0.045) 3.524 1.753 ( -3.288 -3.246 -2.277) 5.151 1.817 ( -0.485 -0.305 -0.350) 0.671 1.866 ( -4.970 -2.760 0.925) 5.760 1.874 ( -0.344 -2.136 3.679) 4.268 1.926 ( -2.047 -2.384 1.041) 3.310 1.963 ( -3.691 -2.575 1.896) 4.884 1.986 ( 2.414 -0.768 -0.401) 2.565 2.007 ( -1.840 -2.171 -2.911) 4.071 2.033 ( -0.110 -5.575 -2.089) 5.954 2.099 ( 3.788 -5.776 -1.145) 7.001 2.122 ( 0.010 -2.267 5.520) 5.968 2.139 ( 0.468 -0.676 -2.320) 2.462 2.187 ( 0.087 -2.817 -2.688) 3.894 2.230 ( -0.753 -2.280 0.816) 2.536 2.244 ( 1.955 -2.265 -3.613) 4.691 2.279 ( -3.117 -4.208 2.450) 5.782 2.304 ( -4.668 -1.906 1.600) 5.290 2.352 ( 0.978 -2.829 1.496) 3.346 2.364 ( 1.201 0.684 -1.244) 1.860 2.373 ( 0.855 -1.046 -0.293) 1.382 2.400 ( -0.975 -1.202 -0.433) 1.607 2.467 ( 0.371 -1.790 -0.201) 1.839 2.507 ( -1.046 -0.032 -0.592) 1.202 2.546 ( -2.638 1.509 -1.161) 3.253 2.631 ( 1.494 1.671 2.610) 3.440 2.674 ( -0.353 -4.218 -3.235) 5.327 2.727 ( -0.290 2.049 0.890) 2.252 2.756 ( -0.659 3.809 -3.583) 5.271 2.829 ( 1.302 3.417 1.904) 4.123 2.867 ( -0.874 1.971 -1.917) 2.885 2.901 ( -1.277 1.660 -0.669) 2.199 2.935 ( -0.443 2.346 1.674) 2.915 2.939 ( -2.992 0.794 1.306) 3.360 2.980 ( 0.425 -0.774 2.163) 2.336 2.994 ( 1.993 0.085 -2.155) 2.936 3.078 ( -2.529 2.516 -1.806) 3.999 3.105 ( -3.229 -0.247 1.737) 3.674 3.200 ( 0.772 -1.101 -1.238) 1.828 3.218 ( -1.933 -2.317 2.223) 3.748 3.277 ( 0.208 -0.279 0.054) 0.352 3.317 ( -0.261 -0.989 1.406) 1.739 3.357 ( 0.369 0.304 0.283) 0.555 3.420 ( -2.646 1.713 -1.074) 3.330 3.454 ( -0.530 0.551 0.138) 0.777 3.528 ( -0.587 1.324 -0.379) 1.497 3.651 ( -1.827 1.609 1.300) 2.760 3.664 ( 0.349 -0.024 -1.119) 1.173 3.732 ( -1.304 0.544 -1.462) 2.033 3.755 ( 0.001 2.392 1.321) 2.732 3.807 ( 0.016 1.659 0.424) 1.713 3.865 ( -0.290 -1.088 0.748) 1.352 3.872 ( 0.896 -1.770 0.194) 1.993 3.908 ( -2.343 1.664 -0.557) 2.927 3.964 ( 1.012 2.838 -0.664) 3.086 4.013 ( -0.643 -1.130 -1.156) 1.739 4.055 ( -2.206 3.211 1.460) 4.161 4.290 ( -0.723 2.221 -0.061) 2.337 4.359 ( 0.101 0.169 0.108) 0.224 4.375 ( -0.945 0.735 0.215) 1.217 4.390 ( 0.065 -0.344 0.366) 0.506 4.540 ( -0.154 -0.127 -0.088) 0.218 4.549 ( 0.148 0.126 0.129) 0.233 5.325 ( -0.161 0.687 -0.005) 0.705 ======================= Grid point 222 (95/117) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -1.042 -10.185 -1.509) 10.349 0.901 ( 2.157 -8.548 0.038) 8.816 0.965 ( -2.056 -7.552 -4.921) 9.246 0.985 ( 0.261 -6.774 2.029) 7.076 0.992 ( -3.000 -8.067 1.441) 8.726 1.082 ( 0.461 -11.117 1.883) 11.285 1.126 ( 1.159 -6.841 1.090) 7.023 1.179 ( 0.496 -1.335 -0.674) 1.576 1.246 ( -2.084 -1.962 1.765) 3.363 1.289 ( -2.368 -3.308 -0.337) 4.082 1.346 ( 1.843 -2.426 0.073) 3.048 1.358 ( 1.480 -0.160 -4.660) 4.892 1.404 ( 0.444 -1.700 3.159) 3.615 1.439 ( -0.598 -4.490 -0.333) 4.542 1.483 ( 0.068 -8.160 -0.881) 8.208 1.551 ( 0.144 -4.774 0.254) 4.783 1.579 ( 2.369 -8.107 1.914) 8.660 1.587 ( -2.284 -7.385 -1.224) 7.827 1.625 ( -0.251 -8.777 -3.793) 9.565 1.666 ( 0.068 -4.657 2.330) 5.208 1.701 ( 0.155 -2.803 -0.164) 2.812 1.731 ( -0.795 -5.074 -1.457) 5.339 1.786 ( 0.608 -8.194 0.944) 8.270 1.820 ( 0.081 -8.262 -1.238) 8.354 1.862 ( -0.062 -5.613 -2.110) 5.997 1.892 ( -0.768 -1.569 0.626) 1.856 1.933 ( -0.068 -1.689 3.301) 3.709 1.950 ( -0.391 -8.958 1.225) 9.050 1.958 ( 0.148 -3.547 -0.603) 3.601 2.001 ( -1.758 -1.203 -4.945) 5.384 2.035 ( -0.536 -2.202 0.547) 2.331 2.054 ( 0.210 -6.648 -0.586) 6.678 2.087 ( -3.103 -2.421 2.973) 4.933 2.153 ( -0.628 -0.286 -0.755) 1.022 2.177 ( -2.882 -4.857 -0.596) 5.679 2.204 ( 1.074 -3.619 -0.192) 3.780 2.251 ( -2.060 -0.233 2.720) 3.420 2.285 ( 0.118 1.711 1.686) 2.405 2.297 ( -1.623 -1.789 -1.074) 2.643 2.346 ( 1.973 -3.577 0.624) 4.133 2.383 ( 0.132 -2.615 0.626) 2.692 2.387 ( -1.156 -3.732 -0.799) 3.988 2.413 ( -2.089 -9.549 0.253) 9.778 2.455 ( -0.302 -2.712 2.101) 3.444 2.484 ( -1.766 -7.293 -0.480) 7.520 2.516 ( -3.091 -2.152 -3.136) 4.901 2.526 ( 0.859 -2.037 0.288) 2.229 2.566 ( 2.438 -4.847 -0.605) 5.459 2.606 ( 0.808 0.500 1.140) 1.484 2.646 ( -3.449 2.825 -1.534) 4.714 2.698 ( 1.436 2.349 -4.738) 5.480 2.736 ( -1.329 -0.699 1.211) 1.929 2.787 ( 1.311 1.118 0.494) 1.792 2.804 ( -0.663 4.396 0.779) 4.514 2.866 ( 0.408 1.746 0.093) 1.795 2.883 ( -0.908 -3.633 0.423) 3.769 2.911 ( -2.533 1.567 0.176) 2.984 2.970 ( -0.059 2.233 0.918) 2.416 2.999 ( 1.790 0.186 -0.571) 1.888 3.046 ( -1.108 -0.384 -0.880) 1.466 3.103 ( -2.282 -0.087 0.285) 2.301 3.180 ( -1.068 2.080 1.394) 2.723 3.270 ( -2.327 -1.816 -0.015) 2.951 3.294 ( 1.427 -2.054 1.108) 2.736 3.334 ( -2.136 -0.931 0.010) 2.330 3.340 ( 0.793 3.547 -0.760) 3.714 3.381 ( 0.567 -1.181 -0.224) 1.329 3.463 ( -3.197 -1.788 0.029) 3.663 3.516 ( 0.729 -0.090 0.068) 0.738 3.624 ( -1.219 -0.030 0.484) 1.312 3.656 ( -0.352 0.833 -0.317) 0.958 3.684 ( -1.007 3.608 0.238) 3.753 3.717 ( -0.821 0.360 -0.781) 1.189 3.784 ( -0.617 0.949 0.553) 1.259 3.845 ( -1.260 2.203 0.756) 2.648 3.883 ( 0.046 1.438 -1.121) 1.824 3.895 ( 0.618 -0.240 -0.616) 0.905 3.908 ( 0.131 2.186 1.001) 2.408 3.991 ( -0.761 1.866 0.189) 2.024 4.029 ( -1.476 -0.058 0.339) 1.515 4.253 ( -0.245 1.132 0.094) 1.162 4.327 ( -0.376 1.908 0.084) 1.946 4.357 ( -0.176 0.627 0.252) 0.699 4.406 ( -0.183 -0.054 -0.100) 0.215 4.520 ( -0.057 2.211 0.080) 2.213 4.532 ( 0.000 1.740 -0.008) 1.740 5.308 ( -0.110 0.843 -0.008) 0.850 ======================= Grid point 223 (96/117) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -0.689 -1.826 -0.417) 1.996 1.056 ( -2.932 -8.164 -1.182) 8.754 1.107 ( -1.059 -7.924 -0.359) 8.002 1.129 ( -0.612 -7.478 -0.929) 7.560 1.158 ( -0.007 -4.834 -0.816) 4.902 1.238 ( -0.439 0.248 2.079) 2.140 1.243 ( 2.226 -2.572 -0.897) 3.518 1.269 ( 0.204 -5.772 -1.160) 5.891 1.309 ( -0.350 -5.901 -0.546) 5.937 1.347 ( 0.248 -3.014 -0.809) 3.131 1.372 ( 1.826 -7.067 2.192) 7.621 1.414 ( 0.641 -3.189 2.389) 4.036 1.460 ( -0.033 -6.436 -0.801) 6.486 1.550 ( 0.337 -5.625 0.745) 5.684 1.587 ( -1.920 -1.287 -0.158) 2.316 1.612 ( -3.457 -1.267 0.151) 3.685 1.638 ( 1.691 -3.351 -3.792) 5.335 1.679 ( -0.998 -0.497 4.728) 4.857 1.720 ( -0.339 -1.951 -0.194) 1.989 1.738 ( -2.545 -3.592 0.065) 4.403 1.820 ( 0.114 -4.583 0.540) 4.616 1.823 ( -0.028 -4.531 -0.830) 4.606 1.862 ( 1.145 0.341 0.609) 1.341 1.894 ( -4.132 -0.399 0.641) 4.200 1.928 ( -1.575 -3.185 1.692) 3.935 1.942 ( 2.134 -1.943 2.192) 3.624 1.966 ( -1.124 -0.172 -7.926) 8.008 2.015 ( -0.890 -1.660 -1.262) 2.267 2.037 ( 0.196 -0.646 -0.409) 0.789 2.043 ( 0.357 -1.329 -0.612) 1.506 2.099 ( 2.030 -1.799 0.636) 2.786 2.108 ( -0.289 -4.178 0.687) 4.244 2.154 ( -1.511 1.245 -2.106) 2.875 2.195 ( 1.905 -0.587 -2.000) 2.824 2.233 ( 2.083 -0.320 4.366) 4.848 2.257 ( 1.201 -0.496 2.320) 2.659 2.269 ( -1.139 -0.250 0.097) 1.171 2.300 ( -1.461 -1.493 -0.817) 2.243 2.318 ( 0.969 -0.220 1.410) 1.726 2.391 ( -0.133 -0.009 -1.147) 1.155 2.426 ( -2.262 -1.467 0.039) 2.696 2.431 ( 2.722 -1.889 -2.435) 4.112 2.476 ( -1.207 0.852 2.784) 3.151 2.524 ( -2.324 -3.882 1.905) 4.909 2.550 ( -2.353 -0.710 -3.661) 4.410 2.569 ( -3.412 -4.201 -1.242) 5.553 2.597 ( -2.587 -2.139 0.803) 3.452 2.612 ( -1.944 -3.343 -1.255) 4.066 2.641 ( -1.353 -2.701 0.808) 3.127 2.698 ( -0.272 -5.594 -0.792) 5.656 2.720 ( -0.642 -2.006 1.931) 2.857 2.741 ( 0.128 -1.709 -0.413) 1.763 2.775 ( 1.791 -0.821 1.368) 2.399 2.826 ( 2.742 -3.702 0.475) 4.632 2.846 ( -2.032 0.861 -1.428) 2.628 2.870 ( 0.451 -0.262 0.390) 0.651 2.935 ( -1.093 0.723 1.827) 2.248 2.971 ( -0.100 -3.713 -0.984) 3.843 3.020 ( 2.227 -4.386 -1.931) 5.284 3.090 ( -3.121 -3.580 0.416) 4.768 3.147 ( -0.653 -4.999 -0.799) 5.104 3.167 ( -0.785 -2.681 1.800) 3.323 3.245 ( 1.592 2.182 0.107) 2.703 3.314 ( -0.169 -1.779 -0.807) 1.961 3.363 ( -0.197 -2.932 0.652) 3.010 3.373 ( -0.421 -3.100 -0.782) 3.224 3.406 ( -0.296 -1.374 -0.132) 1.411 3.500 ( -1.555 -1.861 1.138) 2.679 3.530 ( -0.084 -1.497 -0.518) 1.586 3.624 ( -0.983 1.725 0.411) 2.028 3.635 ( -0.223 0.060 -1.073) 1.098 3.648 ( -0.616 -0.842 0.667) 1.238 3.718 ( -0.681 -1.191 -0.652) 1.519 3.763 ( -1.305 0.763 0.834) 1.726 3.803 ( -0.709 1.443 -0.184) 1.618 3.846 ( 0.724 1.410 0.415) 1.638 3.870 ( 0.165 1.825 -0.263) 1.852 3.882 ( -0.122 1.600 0.043) 1.605 3.966 ( 0.229 0.638 0.348) 0.762 4.017 ( -1.246 0.692 -0.083) 1.428 4.239 ( 0.299 0.563 0.312) 0.710 4.289 ( -0.473 2.037 -0.418) 2.133 4.339 ( -0.267 1.067 0.073) 1.103 4.386 ( -0.159 1.771 0.188) 1.788 4.449 ( 0.247 4.642 0.327) 4.660 4.475 ( -0.185 3.712 -0.277) 3.727 5.292 ( -0.055 0.635 -0.004) 0.638 ======================= Grid point 224 (97/117) ======================= q-point: ( 0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -0.344 2.153 -0.485) 2.234 1.145 ( -0.209 0.760 0.317) 0.849 1.168 ( 0.404 2.594 1.219) 2.895 1.205 ( 0.527 -2.964 0.744) 3.101 1.228 ( 0.550 -2.593 -1.742) 3.172 1.276 ( -1.318 -6.199 -1.696) 6.561 1.350 ( 0.304 -10.245 0.392) 10.257 1.388 ( -1.389 -2.972 -0.427) 3.308 1.437 ( 0.480 -5.403 -1.281) 5.574 1.447 ( 1.771 -5.212 0.751) 5.555 1.480 ( 0.377 -1.988 -1.364) 2.440 1.519 ( 2.032 -4.912 2.312) 5.797 1.556 ( -0.194 -0.588 -0.472) 0.778 1.572 ( -3.202 0.967 4.830) 5.875 1.586 ( -0.592 -1.248 -3.469) 3.734 1.656 ( -2.504 -1.211 -0.717) 2.873 1.700 ( 2.910 -3.105 0.724) 4.317 1.739 ( -5.153 -1.116 0.992) 5.365 1.757 ( -1.644 -1.856 -1.280) 2.791 1.790 ( -0.097 -4.253 -1.472) 4.501 1.818 ( -1.970 0.242 4.070) 4.528 1.859 ( 0.251 -2.511 2.786) 3.759 1.864 ( -1.244 1.039 1.273) 2.061 1.908 ( -1.491 1.086 -6.240) 6.507 1.966 ( 0.957 -2.186 -0.522) 2.443 1.990 ( 0.677 -0.597 1.870) 2.077 2.000 ( -0.599 -3.079 -2.881) 4.259 2.010 ( 1.449 0.900 -2.176) 2.765 2.033 ( 2.239 0.391 -1.071) 2.513 2.065 ( 1.544 -2.622 -1.116) 3.241 2.099 ( 0.926 0.905 3.505) 3.737 2.125 ( 1.259 2.742 0.250) 3.028 2.161 ( 0.023 1.478 1.886) 2.396 2.167 ( -2.131 1.914 1.445) 3.208 2.203 ( -1.190 1.791 -1.340) 2.533 2.222 ( 1.472 -1.185 -0.980) 2.129 2.279 ( -1.784 -0.315 0.915) 2.030 2.290 ( 3.269 1.840 0.407) 3.774 2.302 ( 0.203 3.334 0.906) 3.461 2.306 ( -0.277 3.344 -0.991) 3.499 2.408 ( 1.878 1.971 0.120) 2.725 2.442 ( -2.142 2.858 -0.086) 3.573 2.488 ( -1.337 2.473 -2.829) 3.988 2.517 ( 1.597 -0.476 2.641) 3.123 2.549 ( -0.825 0.879 0.655) 1.372 2.581 ( -3.719 0.842 -0.537) 3.851 2.625 ( -3.036 0.660 3.058) 4.360 2.662 ( -1.452 -2.168 -3.208) 4.135 2.699 ( -0.493 -2.887 -1.059) 3.114 2.744 ( -0.676 0.091 -0.345) 0.765 2.750 ( 0.632 0.575 0.096) 0.860 2.794 ( -0.793 -4.062 1.291) 4.335 2.834 ( 0.489 -0.804 -0.229) 0.968 2.871 ( 0.309 -3.040 -0.504) 3.097 2.890 ( 1.177 -3.698 0.522) 3.916 2.932 ( 1.219 -4.109 -1.419) 4.514 2.956 ( -0.086 -3.749 0.443) 3.776 3.087 ( -1.323 -5.496 0.270) 5.660 3.134 ( -1.247 -4.441 1.388) 4.817 3.149 ( -0.512 -3.779 -1.623) 4.145 3.237 ( 1.547 -1.151 0.233) 1.942 3.256 ( -0.578 -6.475 -0.571) 6.526 3.311 ( 0.123 -6.601 1.570) 6.786 3.362 ( 0.072 -1.911 0.341) 1.942 3.381 ( -0.113 0.160 -0.905) 0.926 3.445 ( 0.453 -4.667 -0.721) 4.744 3.465 ( -0.656 -3.085 0.748) 3.242 3.521 ( -0.018 -0.455 0.782) 0.905 3.570 ( -0.175 -2.324 -0.565) 2.399 3.598 ( -0.289 0.664 -0.374) 0.815 3.650 ( -0.209 -1.884 -0.490) 1.958 3.661 ( -0.111 -0.622 0.625) 0.888 3.718 ( -0.310 3.164 -0.093) 3.181 3.733 ( -0.819 3.253 0.302) 3.368 3.786 ( -0.012 -0.036 -0.477) 0.478 3.827 ( -0.065 1.629 0.340) 1.666 3.862 ( 0.544 -3.177 0.257) 3.233 3.875 ( -0.184 -2.103 -0.388) 2.146 3.973 ( -0.100 -1.004 0.530) 1.139 3.989 ( -0.594 1.699 -0.386) 1.841 4.214 ( 0.420 2.220 0.716) 2.371 4.248 ( -0.550 1.161 -0.881) 1.558 4.293 ( -0.604 4.327 -0.846) 4.450 4.339 ( 0.351 2.928 1.806) 3.458 4.364 ( 0.683 2.300 0.006) 2.400 4.393 ( -0.570 3.448 -0.660) 3.557 5.282 ( -0.018 0.319 0.001) 0.319 ======================= Grid point 225 (98/117) ======================= q-point: (-0.40 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -0.008 -0.177 0.025) 0.179 1.120 ( 0.382 0.102 -0.056) 0.400 1.133 ( -0.408 0.343 0.039) 0.534 1.245 ( 0.061 0.085 -0.244) 0.265 1.264 ( 1.101 -0.123 0.666) 1.293 1.382 ( -0.958 2.584 -0.757) 2.858 1.398 ( 0.684 -4.293 0.792) 4.419 1.464 ( -0.996 1.953 -3.723) 4.320 1.488 ( -1.839 0.621 2.942) 3.525 1.505 ( 0.323 1.910 -0.607) 2.030 1.517 ( -1.051 0.491 0.282) 1.194 1.531 ( -0.169 -2.804 0.446) 2.844 1.558 ( 0.913 0.239 0.090) 0.948 1.578 ( 2.158 -0.370 1.363) 2.579 1.614 ( -0.228 -0.605 -0.182) 0.672 1.680 ( -0.143 -2.009 -1.557) 2.546 1.701 ( 0.923 1.311 -1.018) 1.899 1.747 ( -1.556 -1.059 2.186) 2.884 1.790 ( 0.990 -1.339 -1.279) 2.099 1.802 ( -1.103 0.427 -0.723) 1.386 1.828 ( 0.567 0.580 1.103) 1.369 1.870 ( 1.613 -0.029 -1.001) 1.899 1.895 ( -0.297 -3.144 1.995) 3.735 1.929 ( -0.670 0.023 -0.171) 0.692 1.941 ( -1.121 0.834 -1.786) 2.267 1.997 ( 2.114 -0.574 2.145) 3.066 2.005 ( 0.417 1.048 0.784) 1.374 2.036 ( -0.750 1.183 -0.270) 1.426 2.056 ( -0.883 1.204 -0.014) 1.493 2.077 ( -0.796 -1.024 -0.942) 1.603 2.081 ( 0.398 1.935 -0.898) 2.170 2.107 ( 0.982 -0.609 0.218) 1.175 2.146 ( -1.824 -2.768 -0.263) 3.325 2.175 ( 1.341 1.094 -0.036) 1.731 2.189 ( -0.913 -0.613 1.289) 1.694 2.221 ( 0.916 2.591 -1.132) 2.972 2.226 ( -0.030 0.241 -0.085) 0.257 2.251 ( 0.328 1.100 0.375) 1.207 2.280 ( 0.144 0.128 -0.066) 0.204 2.322 ( -0.172 -1.416 0.618) 1.554 2.326 ( 0.056 0.396 -0.646) 0.760 2.429 ( -1.584 -0.930 -0.077) 1.839 2.459 ( 0.592 0.653 -0.306) 0.933 2.462 ( -0.005 -0.532 0.400) 0.666 2.562 ( -1.540 0.073 -0.694) 1.690 2.601 ( 3.102 -1.422 1.783) 3.850 2.619 ( 1.185 -0.446 0.118) 1.272 2.684 ( -2.668 -1.768 -1.673) 3.611 2.707 ( -0.255 0.284 -0.090) 0.392 2.743 ( 0.039 0.059 0.031) 0.077 2.759 ( -0.339 -0.702 -0.601) 0.984 2.786 ( 0.966 1.784 1.566) 2.563 2.880 ( -0.870 -1.077 1.081) 1.757 2.895 ( 0.753 0.770 -2.285) 2.526 2.941 ( 0.932 0.216 1.148) 1.495 2.969 ( -0.452 -0.062 -0.142) 0.478 3.009 ( -0.313 0.396 -0.139) 0.523 3.155 ( -0.176 -1.067 -0.099) 1.086 3.193 ( -0.230 -0.047 0.876) 0.906 3.195 ( 0.228 -0.184 -0.833) 0.883 3.243 ( 0.157 0.690 0.027) 0.708 3.356 ( -0.025 -1.019 -0.060) 1.021 3.370 ( -0.149 1.137 0.150) 1.156 3.374 ( 0.025 -0.128 -0.298) 0.325 3.379 ( 0.178 -0.421 0.247) 0.520 3.503 ( -0.082 -0.359 -0.104) 0.382 3.516 ( -0.021 0.892 0.025) 0.892 3.558 ( 0.052 -0.403 0.080) 0.414 3.593 ( 0.002 -0.174 -0.053) 0.182 3.624 ( -0.378 3.400 0.906) 3.539 3.628 ( 0.675 -2.795 -0.592) 2.936 3.639 ( -0.194 -0.275 -0.445) 0.558 3.674 ( -0.249 0.021 0.076) 0.261 3.690 ( 0.177 -0.372 0.097) 0.423 3.796 ( 0.055 0.501 -0.105) 0.515 3.798 ( -0.087 -0.416 0.081) 0.433 3.920 ( 0.023 0.133 -0.010) 0.136 3.934 ( 0.016 -0.415 0.001) 0.415 3.940 ( -0.021 -0.002 0.016) 0.026 4.003 ( -0.002 -0.042 0.000) 0.042 4.189 ( -0.113 0.685 -0.318) 0.764 4.209 ( 0.297 -0.907 0.745) 1.211 4.239 ( -0.259 -0.207 -0.598) 0.684 4.295 ( 0.081 0.534 0.215) 0.581 4.347 ( 0.017 0.200 -0.049) 0.206 4.360 ( -0.024 -0.361 0.002) 0.362 5.279 ( -0.000 -0.004 -0.000) 0.004 ======================= Grid point 226 (99/117) ======================= q-point: (-0.30 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 0.222 -2.349 0.349) 2.385 1.145 ( 0.114 -1.802 -0.173) 1.814 1.160 ( -0.181 -2.904 -0.714) 2.996 1.198 ( -0.140 4.132 -0.330) 4.147 1.237 ( 0.443 2.378 1.371) 2.780 1.292 ( 0.322 5.486 0.665) 5.535 1.338 ( -1.082 9.396 -0.718) 9.486 1.407 ( 1.230 3.925 0.325) 4.126 1.431 ( -0.082 3.320 -0.182) 3.326 1.444 ( -0.021 3.768 2.383) 4.459 1.473 ( -1.620 4.108 -1.141) 4.561 1.488 ( -0.610 6.505 -1.122) 6.629 1.563 ( -0.162 0.087 3.515) 3.520 1.578 ( 0.964 -1.027 -4.917) 5.115 1.603 ( 0.935 1.546 0.026) 1.807 1.673 ( -0.841 1.439 0.834) 1.864 1.696 ( 2.091 2.689 0.683) 3.474 1.751 ( -0.222 1.639 -0.241) 1.671 1.796 ( 1.387 5.271 0.509) 5.474 1.822 ( -0.672 1.139 -1.829) 2.257 1.833 ( 1.509 -0.788 -1.322) 2.156 1.850 ( 4.371 0.212 2.214) 4.905 1.869 ( 1.936 -0.752 -3.389) 3.975 1.941 ( 0.639 -1.114 2.231) 2.575 1.954 ( -1.127 3.043 0.261) 3.256 1.969 ( -1.984 -0.821 -0.049) 2.148 1.992 ( -2.885 3.008 3.145) 5.222 2.007 ( -1.173 0.302 -0.927) 1.525 2.026 ( -0.016 -0.474 2.232) 2.282 2.057 ( -0.722 1.032 0.787) 1.485 2.092 ( 1.881 0.005 0.280) 1.902 2.112 ( -0.218 -1.241 -0.555) 1.377 2.133 ( -2.218 -1.514 -4.366) 5.126 2.191 ( 2.311 -2.394 -1.775) 3.771 2.211 ( -1.125 -2.381 2.111) 3.375 2.213 ( -0.178 0.473 0.283) 0.579 2.263 ( -0.752 -1.035 0.055) 1.280 2.291 ( 0.311 -1.316 -0.262) 1.377 2.295 ( -0.414 -3.214 -0.197) 3.247 2.321 ( 1.226 -1.311 -0.004) 1.795 2.385 ( -1.754 -2.407 0.420) 3.008 2.462 ( 1.711 -2.070 -0.078) 2.687 2.488 ( -1.546 -1.506 -1.635) 2.708 2.518 ( 0.955 -3.658 1.912) 4.236 2.555 ( 0.482 -0.428 -0.557) 0.852 2.627 ( 2.212 0.625 0.474) 2.347 2.651 ( 3.151 -2.491 -0.911) 4.119 2.676 ( -0.427 3.220 0.098) 3.250 2.718 ( 1.484 0.929 0.549) 1.835 2.737 ( -1.284 1.829 0.318) 2.257 2.757 ( 0.745 -1.387 0.805) 1.768 2.777 ( -1.785 -0.769 -1.195) 2.282 2.845 ( 0.748 1.711 -1.439) 2.357 2.868 ( 0.517 7.161 2.512) 7.607 2.889 ( 0.624 1.659 -0.192) 1.782 2.912 ( -2.386 5.699 -0.147) 6.180 2.955 ( -0.050 2.600 -0.104) 2.603 3.100 ( 0.741 6.292 -0.187) 6.338 3.139 ( 0.332 5.014 -0.356) 5.038 3.166 ( 0.928 2.235 0.653) 2.507 3.218 ( -1.117 1.287 -0.262) 1.724 3.267 ( 0.430 6.776 0.737) 6.830 3.304 ( 0.025 6.827 -1.308) 6.951 3.359 ( -0.199 1.761 -0.097) 1.775 3.386 ( 0.121 -0.331 0.521) 0.629 3.443 ( -0.357 3.550 0.579) 3.615 3.463 ( -0.013 3.726 -0.894) 3.832 3.528 ( 0.905 0.792 -0.122) 1.209 3.569 ( -0.479 1.623 0.212) 1.706 3.604 ( 0.271 -0.884 0.222) 0.950 3.654 ( 0.087 0.962 0.677) 1.179 3.660 ( 0.118 1.208 -0.749) 1.426 3.722 ( 0.219 -2.899 0.093) 2.908 3.739 ( 0.411 -4.422 -0.305) 4.451 3.791 ( 0.232 -0.488 0.596) 0.804 3.824 ( -0.116 -1.225 -0.517) 1.335 3.856 ( -0.270 3.726 -0.016) 3.735 3.877 ( 0.019 2.220 0.168) 2.227 3.974 ( 0.208 1.308 -0.219) 1.343 3.995 ( 0.235 -2.231 0.141) 2.248 4.209 ( -0.118 -1.920 -0.293) 1.946 4.256 ( 0.205 -1.617 0.430) 1.685 4.307 ( 0.858 -4.070 1.480) 4.415 4.324 ( -0.762 -3.629 -2.025) 4.225 4.359 ( -0.225 -1.876 0.056) 1.890 4.400 ( 0.215 -3.377 0.267) 3.395 5.282 ( 0.011 -0.332 -0.000) 0.333 ======================= Grid point 227 (100/117) ======================= q-point: (-0.20 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 0.204 1.700 0.116) 1.716 1.073 ( 0.173 8.806 0.206) 8.810 1.120 ( 0.215 7.434 0.107) 7.438 1.148 ( 1.932 3.019 -0.928) 3.703 1.163 ( -0.607 6.567 1.778) 6.830 1.217 ( -1.238 4.075 0.256) 4.267 1.237 ( 0.393 0.279 -1.150) 1.247 1.265 ( -0.640 7.683 0.807) 7.752 1.324 ( 1.208 3.792 -0.458) 4.006 1.344 ( -1.086 4.713 0.303) 4.846 1.356 ( 0.227 4.433 0.747) 4.501 1.393 ( -0.600 2.786 -1.812) 3.377 1.468 ( 0.252 8.310 0.476) 8.328 1.545 ( -0.092 5.368 -0.274) 5.376 1.602 ( 0.163 -0.177 0.663) 0.706 1.631 ( 0.809 5.465 -1.020) 5.617 1.642 ( -0.169 0.183 0.761) 0.801 1.671 ( 0.176 1.037 -0.744) 1.289 1.733 ( 0.878 1.117 0.367) 1.467 1.769 ( 2.097 6.577 0.143) 6.905 1.789 ( -2.501 5.410 -0.535) 5.984 1.848 ( 0.186 1.376 1.950) 2.394 1.856 ( 1.334 2.286 -1.371) 2.981 1.901 ( -1.395 0.445 -1.466) 2.072 1.925 ( -0.024 3.475 0.632) 3.532 1.952 ( 3.485 1.400 -2.007) 4.258 1.986 ( -2.430 0.675 3.207) 4.080 2.022 ( -0.069 0.198 0.594) 0.630 2.038 ( -0.104 -0.312 -0.178) 0.374 2.059 ( 1.216 0.192 1.431) 1.888 2.089 ( 0.701 1.627 1.248) 2.167 2.099 ( -0.809 2.650 -1.835) 3.323 2.145 ( -1.926 1.436 -0.835) 2.543 2.183 ( 0.197 0.613 -0.251) 0.691 2.226 ( 1.952 -1.749 -0.813) 2.744 2.240 ( -1.760 0.006 0.495) 1.828 2.282 ( 0.794 0.893 -0.375) 1.252 2.292 ( -0.983 3.490 0.445) 3.653 2.328 ( 1.055 -1.430 -0.579) 1.869 2.387 ( -0.885 0.093 0.667) 1.112 2.417 ( -0.283 -1.256 0.619) 1.429 2.443 ( 0.357 6.954 -0.319) 6.970 2.479 ( 0.436 -2.969 -0.552) 3.051 2.531 ( 0.425 -1.193 -0.759) 1.477 2.580 ( 0.400 1.591 0.762) 1.809 2.598 ( 0.597 8.034 0.592) 8.078 2.630 ( 1.598 -0.742 1.218) 2.142 2.643 ( 0.606 -0.976 -0.926) 1.475 2.662 ( 3.880 8.782 0.582) 9.619 2.691 ( -2.881 8.265 -1.255) 8.842 2.720 ( 0.650 6.861 0.461) 6.907 2.740 ( 0.326 -1.357 0.131) 1.402 2.747 ( -1.650 -2.105 -0.554) 2.731 2.797 ( -1.040 1.819 -0.312) 2.118 2.867 ( 0.661 -1.702 -0.046) 1.827 2.869 ( 0.014 1.693 0.308) 1.721 2.947 ( 2.093 -0.008 -1.385) 2.510 2.960 ( -2.144 2.155 1.008) 3.203 3.015 ( -0.144 5.761 0.632) 5.797 3.118 ( 1.039 5.089 -0.037) 5.194 3.157 ( 0.410 3.917 1.270) 4.138 3.164 ( -0.192 2.047 -1.593) 2.601 3.230 ( -0.517 -3.174 -0.046) 3.216 3.319 ( 0.072 1.507 0.254) 1.530 3.356 ( -0.186 4.394 -0.332) 4.410 3.392 ( 1.047 1.541 1.688) 2.514 3.401 ( -0.683 1.348 -1.365) 2.036 3.513 ( 0.712 0.741 -0.274) 1.063 3.531 ( -0.175 2.141 0.154) 2.154 3.631 ( 0.308 -1.730 -0.136) 1.762 3.642 ( 0.126 0.801 0.542) 0.975 3.650 ( 0.138 -0.457 -0.403) 0.625 3.727 ( 0.234 1.054 0.206) 1.100 3.772 ( 0.395 -0.337 -0.266) 0.583 3.814 ( 0.672 -1.265 0.160) 1.442 3.835 ( -0.633 -2.065 -0.213) 2.170 3.870 ( -0.032 -1.775 0.051) 1.776 3.881 ( -0.085 -1.785 -0.018) 1.787 3.965 ( 0.064 -0.591 -0.069) 0.598 4.027 ( 0.295 -0.880 -0.004) 0.928 4.236 ( -0.064 -0.828 -0.077) 0.834 4.294 ( 0.128 -1.772 0.119) 1.781 4.341 ( 0.080 -0.983 -0.034) 0.987 4.387 ( 0.047 -1.891 -0.053) 1.893 4.446 ( -0.066 -4.889 -0.088) 4.890 4.478 ( 0.045 -3.573 0.070) 3.574 5.292 ( 0.017 -0.657 0.001) 0.658 ======================= Grid point 228 (101/117) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -0.000 10.315 0.000) 10.315 0.883 ( 0.000 9.125 -0.000) 9.125 0.959 ( 0.000 10.881 0.000) 10.881 0.979 ( 0.000 9.641 -0.000) 9.641 1.045 ( 0.000 3.618 -0.000) 3.618 1.078 ( -0.000 9.012 0.000) 9.012 1.106 ( 0.000 6.506 0.000) 6.506 1.168 ( 0.000 1.878 -0.000) 1.878 1.257 ( 0.000 3.990 0.000) 3.990 1.306 ( 0.000 2.573 -0.000) 2.573 1.340 ( 0.000 2.188 -0.000) 2.188 1.367 ( 0.000 -0.831 0.000) 0.831 1.388 ( -0.000 -0.069 -0.000) 0.069 1.444 ( -0.000 4.035 0.000) 4.035 1.480 ( -0.000 8.283 0.000) 8.283 1.553 ( -0.000 11.556 0.000) 11.556 1.555 ( 0.000 6.153 -0.000) 6.153 1.607 ( 0.000 7.149 -0.000) 7.149 1.646 ( 0.000 3.343 0.000) 3.343 1.647 ( -0.000 9.798 -0.000) 9.798 1.702 ( 0.000 0.441 0.000) 0.441 1.750 ( 0.000 6.659 -0.000) 6.659 1.776 ( -0.000 10.823 0.000) 10.823 1.822 ( 0.000 4.574 0.000) 4.574 1.859 ( 0.000 7.030 0.000) 7.030 1.897 ( -0.000 4.384 0.000) 4.384 1.924 ( 0.000 -1.234 -0.000) 1.234 1.950 ( 0.000 3.975 -0.000) 3.975 1.955 ( -0.000 7.986 0.000) 7.986 2.033 ( 0.000 6.402 0.000) 6.402 2.035 ( 0.000 1.802 -0.000) 1.802 2.074 ( 0.000 1.599 0.000) 1.599 2.077 ( -0.000 0.354 -0.000) 0.354 2.174 ( -0.000 -1.790 -0.000) 1.790 2.190 ( 0.000 3.408 -0.000) 3.408 2.204 ( -0.000 4.702 -0.000) 4.702 2.246 ( 0.000 0.173 0.000) 0.173 2.279 ( 0.000 0.446 0.000) 0.446 2.323 ( 0.000 6.419 0.000) 6.419 2.323 ( -0.000 -0.676 -0.000) 0.676 2.383 ( -0.000 2.457 0.000) 2.457 2.396 ( 0.000 7.117 -0.000) 7.117 2.428 ( 0.000 10.156 -0.000) 10.156 2.452 ( -0.000 1.180 0.000) 1.180 2.499 ( -0.000 6.496 0.000) 6.496 2.519 ( 0.000 2.441 0.000) 2.441 2.532 ( 0.000 4.594 0.000) 4.594 2.571 ( 0.000 -0.698 0.000) 0.698 2.576 ( -0.000 2.584 -0.000) 2.584 2.676 ( 0.000 -2.845 -0.000) 2.845 2.714 ( 0.000 -4.453 0.000) 4.453 2.741 ( -0.000 0.305 -0.000) 0.305 2.771 ( 0.000 1.473 0.000) 1.473 2.814 ( 0.000 -4.478 0.000) 4.478 2.862 ( -0.000 -4.200 -0.000) 4.200 2.887 ( 0.000 4.970 0.000) 4.970 2.929 ( 0.000 -1.925 0.000) 1.925 2.969 ( 0.000 -1.727 0.000) 1.727 2.983 ( -0.000 -0.272 0.000) 0.272 3.059 ( 0.000 -0.600 0.000) 0.600 3.124 ( -0.000 0.020 -0.000) 0.020 3.171 ( 0.000 -1.181 0.000) 1.181 3.282 ( 0.000 2.320 -0.000) 2.320 3.285 ( -0.000 0.780 0.000) 0.780 3.337 ( -0.000 -3.863 0.000) 3.863 3.363 ( -0.000 2.511 -0.000) 2.511 3.365 ( 0.000 -0.089 0.000) 0.089 3.485 ( 0.000 2.106 0.000) 2.106 3.510 ( -0.000 -0.355 0.000) 0.355 3.632 ( -0.000 -0.421 0.000) 0.421 3.659 ( 0.000 -0.687 -0.000) 0.687 3.690 ( 0.000 -3.356 0.000) 3.356 3.725 ( 0.000 -0.604 0.000) 0.604 3.786 ( 0.000 -0.727 0.000) 0.727 3.852 ( 0.000 -1.986 0.000) 1.986 3.887 ( -0.000 -2.632 -0.000) 2.632 3.895 ( -0.000 0.109 -0.000) 0.109 3.900 ( 0.000 -1.046 0.000) 1.046 3.997 ( 0.000 -2.502 -0.000) 2.502 4.037 ( 0.000 0.086 0.000) 0.086 4.255 ( 0.000 -1.337 0.000) 1.337 4.330 ( 0.000 -1.923 0.000) 1.923 4.358 ( 0.000 -0.604 0.000) 0.604 4.407 ( 0.000 0.071 0.000) 0.071 4.520 ( 0.000 -2.295 0.000) 2.295 4.532 ( -0.000 -1.667 0.000) 1.667 5.308 ( 0.000 -0.866 0.000) 0.866 ======================= Grid point 232 (102/117) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 1.172 -0.000 -10.291) 10.357 0.600 ( 4.269 -0.000 -13.188) 13.862 0.783 ( 4.729 -0.000 12.253) 13.133 0.785 ( 0.017 -0.000 6.991) 6.991 0.850 ( -7.164 0.000 4.438) 8.427 0.927 ( -4.813 0.000 1.958) 5.196 0.969 ( 3.535 -0.000 -5.977) 6.945 1.022 ( 3.485 -0.000 1.112) 3.658 1.030 ( 2.123 -0.000 -7.469) 7.765 1.132 ( 3.174 -0.000 1.104) 3.360 1.179 ( 2.120 -0.000 1.621) 2.668 1.193 ( 1.880 -0.000 -0.609) 1.976 1.210 ( 1.283 -0.000 1.914) 2.304 1.225 ( -0.123 0.000 -1.887) 1.891 1.320 ( -2.527 0.000 -1.519) 2.948 1.341 ( -3.926 0.000 -1.349) 4.151 1.391 ( 3.082 -0.000 -3.198) 4.441 1.406 ( -1.583 0.000 2.733) 3.159 1.420 ( 1.244 -0.000 2.020) 2.372 1.457 ( 2.393 -0.000 0.087) 2.395 1.512 ( -2.421 0.000 1.873) 3.061 1.526 ( -0.479 0.000 -0.772) 0.909 1.582 ( -2.616 0.000 -0.509) 2.665 1.662 ( -2.857 0.000 2.050) 3.517 1.692 ( -5.857 0.000 -1.746) 6.112 1.800 ( -0.773 0.000 0.837) 1.139 1.853 ( -2.244 0.000 -0.095) 2.246 1.856 ( 1.445 -0.000 -0.043) 1.446 1.869 ( -3.222 0.000 4.245) 5.329 1.898 ( -2.808 0.000 -0.682) 2.890 1.933 ( -0.482 0.000 -1.085) 1.187 1.991 ( -0.040 0.000 2.899) 2.899 2.022 ( 4.461 -0.000 -0.929) 4.556 2.064 ( 3.358 -0.000 -4.887) 5.930 2.123 ( -0.457 0.000 3.086) 3.119 2.130 ( -1.734 0.000 -4.134) 4.482 2.141 ( -1.090 0.000 -0.747) 1.321 2.179 ( -0.533 0.000 -1.105) 1.227 2.204 ( -2.043 0.000 -3.696) 4.224 2.244 ( 0.685 -0.000 0.191) 0.711 2.290 ( 1.454 -0.000 1.312) 1.959 2.305 ( -2.786 0.000 3.876) 4.773 2.369 ( 1.775 -0.000 0.474) 1.837 2.378 ( -1.241 0.000 -1.083) 1.647 2.396 ( -1.608 0.000 0.069) 1.610 2.461 ( -1.259 0.000 0.273) 1.289 2.504 ( -0.353 0.000 -1.334) 1.380 2.554 ( -2.987 0.000 -1.175) 3.209 2.613 ( -0.660 0.000 1.367) 1.518 2.669 ( 1.834 -0.000 -2.923) 3.451 2.757 ( -0.442 0.000 1.548) 1.610 2.841 ( 3.373 -0.000 -3.195) 4.646 2.846 ( 0.402 -0.000 -1.680) 1.728 2.866 ( -2.353 0.000 0.263) 2.368 2.915 ( -2.934 0.000 0.872) 3.061 2.915 ( 2.668 -0.000 2.880) 3.926 2.932 ( -3.755 0.000 0.251) 3.763 2.983 ( -1.388 0.000 1.831) 2.298 3.038 ( 3.599 -0.000 0.712) 3.669 3.078 ( -1.765 0.000 -0.847) 1.958 3.135 ( -5.770 0.000 1.680) 6.009 3.164 ( -2.433 0.000 -3.243) 4.054 3.174 ( -0.008 0.000 0.219) 0.219 3.262 ( -3.308 0.000 -0.108) 3.310 3.315 ( 1.961 -0.000 1.718) 2.607 3.364 ( 0.439 -0.000 0.479) 0.650 3.421 ( -2.960 0.000 -0.383) 2.984 3.468 ( -0.835 0.000 -0.066) 0.838 3.543 ( -1.230 0.000 -0.651) 1.392 3.657 ( -0.641 0.000 1.864) 1.971 3.675 ( 0.048 -0.000 -1.313) 1.314 3.732 ( -1.719 0.000 -1.482) 2.270 3.784 ( 0.442 -0.000 1.861) 1.913 3.835 ( -0.316 0.000 0.037) 0.318 3.837 ( 0.327 -0.000 0.968) 1.022 3.846 ( 0.314 -0.000 -0.083) 0.324 3.923 ( -2.997 0.000 -0.099) 2.999 3.988 ( -1.336 0.000 -0.677) 1.498 4.009 ( 1.725 -0.000 -1.747) 2.455 4.090 ( -2.689 0.000 1.198) 2.944 4.323 ( -1.161 0.000 -0.184) 1.175 4.349 ( -0.341 0.000 -0.163) 0.378 4.360 ( 0.201 -0.000 0.159) 0.256 4.407 ( -0.971 0.000 1.027) 1.413 4.533 ( -0.133 0.000 -0.191) 0.233 4.549 ( 0.231 -0.000 0.199) 0.305 5.332 ( -0.234 0.000 -0.001) 0.234 ======================= Grid point 233 (103/117) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 2.478 -6.428 -8.160) 10.680 0.705 ( 4.680 -10.323 -4.543) 12.211 0.831 ( 0.118 -4.541 2.301) 5.092 0.860 ( 4.857 -4.574 9.413) 11.538 0.892 ( -7.981 -2.438 -0.289) 8.350 0.902 ( -5.340 -4.887 4.379) 8.460 1.027 ( 0.970 -2.796 -2.515) 3.884 1.129 ( 2.034 -5.689 0.449) 6.058 1.189 ( -1.862 -6.916 -0.561) 7.185 1.195 ( 1.195 -10.402 -3.171) 10.940 1.213 ( -0.903 -6.125 -0.228) 6.195 1.252 ( -0.235 -1.148 -0.625) 1.329 1.285 ( 1.748 -7.677 -0.795) 7.913 1.310 ( 4.505 -7.353 -3.730) 9.396 1.361 ( -0.579 -4.625 -0.356) 4.675 1.405 ( -2.291 -5.265 2.327) 6.196 1.453 ( -1.952 -3.263 -3.649) 5.270 1.481 ( 2.271 -6.698 0.253) 7.078 1.495 ( 3.069 -6.417 -1.210) 7.215 1.545 ( 0.397 -2.315 0.658) 2.439 1.556 ( 0.057 -4.531 -1.505) 4.775 1.607 ( 1.804 -9.764 4.382) 10.853 1.641 ( -1.448 -9.859 1.358) 10.057 1.691 ( -0.495 -2.736 -0.361) 2.804 1.723 ( -5.226 -5.054 -0.502) 7.287 1.804 ( -4.129 -1.103 1.316) 4.471 1.847 ( -1.139 -2.043 0.466) 2.385 1.880 ( -0.431 -1.962 4.238) 4.690 1.910 ( -4.218 -2.350 1.136) 4.961 1.947 ( -2.645 -2.563 -0.693) 3.748 1.995 ( 1.184 -3.055 -2.512) 4.129 2.000 ( 1.551 0.830 -0.724) 1.902 2.030 ( 0.502 -3.681 -1.177) 3.897 2.102 ( -1.371 -3.517 -1.878) 4.217 2.133 ( -0.368 -2.560 4.710) 5.373 2.135 ( 0.260 -3.670 -2.099) 4.236 2.184 ( -0.105 -0.062 -1.899) 1.903 2.228 ( 0.062 -3.455 0.695) 3.525 2.249 ( -0.882 -3.488 -1.981) 4.107 2.259 ( -2.167 -6.671 -1.247) 7.124 2.282 ( -3.322 0.293 1.378) 3.608 2.358 ( -0.024 0.209 0.782) 0.810 2.370 ( 1.456 -1.860 -0.380) 2.392 2.377 ( 0.103 -0.659 1.385) 1.537 2.396 ( 0.039 -1.507 0.425) 1.566 2.473 ( 1.697 -2.614 -0.269) 3.128 2.494 ( -1.969 0.541 -2.119) 2.943 2.535 ( -1.210 0.657 0.297) 1.408 2.637 ( -0.960 0.845 1.963) 2.343 2.659 ( -1.913 -2.322 -4.089) 5.076 2.736 ( 1.964 1.352 1.870) 3.030 2.750 ( 0.875 4.734 -3.035) 5.691 2.837 ( 0.359 2.566 1.211) 2.860 2.861 ( 1.034 1.978 -2.988) 3.729 2.892 ( -1.411 2.524 0.090) 2.893 2.921 ( -3.671 0.332 1.113) 3.850 2.934 ( -1.121 2.311 1.577) 3.014 2.985 ( 0.818 -1.946 0.659) 2.212 3.005 ( 2.320 1.251 -0.485) 2.680 3.058 ( -3.443 2.381 -0.323) 4.199 3.092 ( -2.522 -0.300 1.378) 2.890 3.185 ( -2.598 -2.137 -1.374) 3.634 3.215 ( -2.898 -1.585 1.654) 3.694 3.272 ( -0.524 -1.360 -0.887) 1.706 3.326 ( 1.399 -0.126 2.491) 2.859 3.359 ( 0.231 0.334 0.205) 0.455 3.401 ( -2.653 0.971 -0.905) 2.966 3.448 ( -1.370 1.167 -0.044) 1.800 3.524 ( -0.362 0.893 -0.376) 1.034 3.644 ( -1.261 1.861 1.137) 2.519 3.664 ( 0.104 -0.007 -0.704) 0.711 3.721 ( -1.243 0.345 -1.366) 1.879 3.756 ( -0.479 2.900 1.263) 3.199 3.807 ( -0.155 1.709 0.417) 1.766 3.865 ( -0.385 -0.927 0.998) 1.416 3.879 ( 1.262 -2.138 0.239) 2.494 3.892 ( -2.182 1.504 -0.836) 2.779 3.966 ( 0.250 2.460 -0.904) 2.633 4.006 ( -0.506 -0.630 -1.648) 1.835 4.043 ( -3.061 2.956 1.973) 4.690 4.286 ( -0.612 2.076 0.094) 2.166 4.360 ( 0.113 0.253 0.130) 0.306 4.370 ( -0.748 0.692 0.446) 1.112 4.389 ( -0.570 -0.436 0.125) 0.728 4.539 ( -0.147 -0.147 -0.083) 0.224 4.550 ( 0.145 0.177 0.133) 0.265 5.323 ( -0.195 0.665 -0.004) 0.693 ======================= Grid point 234 (104/117) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -0.709 -9.897 -1.706) 10.068 0.911 ( -0.671 -6.041 0.109) 6.079 0.931 ( -2.658 -7.702 -4.542) 9.328 0.974 ( -1.701 -7.843 -0.068) 8.026 1.007 ( 2.013 -7.804 3.861) 8.937 1.091 ( 1.309 -11.956 1.669) 12.143 1.133 ( 0.622 -7.296 1.014) 7.392 1.170 ( -2.551 -1.999 -1.725) 3.671 1.239 ( -1.182 -0.367 1.013) 1.600 1.278 ( -1.259 -3.950 0.258) 4.154 1.359 ( 1.751 -2.298 -0.476) 2.928 1.360 ( 2.376 -0.803 -2.900) 3.834 1.413 ( 0.235 -2.308 2.846) 3.672 1.435 ( -0.331 -4.954 -0.508) 4.991 1.479 ( -0.869 -8.350 -0.230) 8.398 1.549 ( -1.404 -3.925 -0.834) 4.251 1.573 ( -0.703 -4.018 -1.788) 4.454 1.600 ( 2.247 -8.199 2.529) 8.869 1.618 ( 0.660 -10.951 -2.307) 11.211 1.666 ( -1.231 -4.371 0.933) 4.636 1.702 ( -0.050 -3.115 0.150) 3.119 1.731 ( 2.198 -5.137 -1.936) 5.913 1.787 ( -1.812 -5.671 3.012) 6.672 1.820 ( 1.295 -8.362 -2.391) 8.793 1.853 ( -0.956 -6.504 -3.150) 7.290 1.886 ( -1.752 -2.714 0.782) 3.324 1.937 ( -0.692 -3.716 2.474) 4.518 1.947 ( -0.045 -6.566 -1.909) 6.838 1.958 ( -0.924 -3.045 1.958) 3.736 1.987 ( -0.021 -2.314 -2.612) 3.490 2.036 ( 0.159 -2.237 1.683) 2.804 2.054 ( 0.203 -6.047 -1.404) 6.211 2.072 ( -3.204 -3.340 2.149) 5.103 2.148 ( -0.681 -0.420 -0.939) 1.233 2.161 ( -2.080 -5.341 -0.157) 5.734 2.211 ( 1.284 -5.501 0.517) 5.672 2.235 ( -3.854 -0.166 -0.613) 3.906 2.287 ( -0.491 -0.628 1.494) 1.694 2.294 ( 0.312 -0.071 1.787) 1.815 2.357 ( 1.326 -1.777 0.079) 2.219 2.376 ( -1.851 -3.507 -0.739) 4.034 2.388 ( 0.372 -2.625 0.725) 2.748 2.403 ( -1.116 -7.745 1.160) 7.911 2.455 ( -1.338 -6.573 0.872) 6.764 2.472 ( -1.476 -4.462 -1.001) 4.805 2.492 ( -2.528 -2.770 -1.930) 4.218 2.533 ( 1.408 -2.113 -0.411) 2.572 2.575 ( 0.800 -3.520 -0.495) 3.644 2.604 ( -1.900 0.454 0.791) 2.107 2.627 ( -1.325 3.745 -1.912) 4.409 2.703 ( 2.397 1.320 -3.468) 4.418 2.733 ( 0.021 -1.328 1.680) 2.142 2.790 ( -0.353 2.763 0.448) 2.821 2.808 ( 1.444 3.264 0.353) 3.587 2.868 ( 0.331 -0.058 -0.607) 0.694 2.878 ( -1.133 -2.289 0.708) 2.650 2.896 ( -2.500 1.268 0.258) 2.815 2.970 ( -0.420 2.328 0.569) 2.433 3.006 ( 0.752 -0.037 0.050) 0.754 3.041 ( -0.007 -0.564 -0.837) 1.009 3.093 ( -1.236 -0.184 0.506) 1.348 3.169 ( -3.348 1.814 0.735) 3.878 3.254 ( -2.887 -2.224 -0.527) 3.682 3.306 ( 1.612 -1.752 1.357) 2.740 3.325 ( -0.849 -0.135 0.741) 1.135 3.344 ( 1.330 2.435 -0.841) 2.899 3.381 ( -0.056 -0.835 -0.603) 1.031 3.443 ( -3.563 -1.947 0.086) 4.061 3.520 ( 0.653 -0.170 0.159) 0.693 3.618 ( -1.023 -0.257 0.465) 1.153 3.653 ( -0.386 0.972 -0.254) 1.076 3.679 ( -1.053 3.707 0.341) 3.869 3.710 ( -0.737 0.219 -0.859) 1.153 3.780 ( -0.803 1.089 0.485) 1.437 3.840 ( -1.015 2.185 0.525) 2.466 3.881 ( 0.030 0.708 -0.415) 0.821 3.897 ( 0.640 0.317 -0.908) 1.156 3.909 ( -0.129 2.488 0.673) 2.581 3.989 ( -0.363 1.224 0.495) 1.369 4.020 ( -1.890 -0.075 0.120) 1.895 4.252 ( -0.156 1.007 0.142) 1.029 4.325 ( -0.401 1.851 0.093) 1.896 4.356 ( -0.165 0.680 0.223) 0.734 4.404 ( -0.244 -0.078 -0.122) 0.284 4.520 ( -0.045 2.140 0.082) 2.142 4.532 ( -0.008 1.804 -0.010) 1.804 5.307 ( -0.108 0.822 -0.007) 0.829 ======================= Grid point 235 (105/117) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -0.556 -1.909 -0.388) 2.026 1.033 ( -3.419 -8.719 -1.294) 9.454 1.104 ( 0.235 -8.662 -0.228) 8.668 1.124 ( -0.682 -7.504 -0.916) 7.590 1.158 ( 0.233 -4.479 -0.093) 4.486 1.239 ( -0.364 0.352 1.907) 1.973 1.251 ( 1.404 -1.967 -1.903) 3.077 1.265 ( -0.804 -6.125 0.109) 6.178 1.310 ( 1.322 -5.408 -0.976) 5.653 1.346 ( -0.175 -4.029 0.005) 4.033 1.387 ( 1.397 -7.600 1.958) 7.972 1.421 ( 0.609 -3.522 0.911) 3.689 1.461 ( 0.368 -4.968 -0.060) 4.982 1.554 ( 0.354 -5.520 0.658) 5.571 1.575 ( -2.103 -1.768 0.492) 2.791 1.590 ( -3.153 -1.415 -0.900) 3.572 1.643 ( 2.599 -2.942 -3.576) 5.310 1.680 ( -1.988 -0.493 4.220) 4.691 1.712 ( -2.048 -2.341 -0.429) 3.140 1.734 ( 0.808 -2.148 1.107) 2.548 1.814 ( -0.911 -1.182 0.930) 1.759 1.832 ( 1.443 -6.048 0.311) 6.226 1.864 ( -1.159 -0.750 -2.030) 2.455 1.872 ( -2.465 -1.554 0.484) 2.954 1.923 ( -0.853 -3.273 1.653) 3.765 1.945 ( -0.320 0.576 -5.198) 5.240 1.955 ( 0.103 -1.581 1.517) 2.194 2.010 ( 0.413 -2.230 -1.468) 2.702 2.037 ( -0.574 -2.615 1.136) 2.909 2.047 ( 1.634 -0.866 -0.765) 2.001 2.101 ( -1.831 -3.186 -0.933) 3.791 2.112 ( 1.613 -2.731 0.801) 3.271 2.143 ( -0.755 0.348 -1.354) 1.589 2.200 ( 1.091 0.087 -1.047) 1.515 2.246 ( 1.365 1.140 -2.132) 2.777 2.264 ( -0.989 0.267 1.458) 1.782 2.281 ( 3.265 -4.026 4.816) 7.075 2.288 ( -1.523 0.346 0.940) 1.823 2.329 ( 1.470 -0.276 0.912) 1.752 2.385 ( -0.996 -2.272 -1.033) 2.687 2.408 ( -2.828 0.530 -0.746) 2.972 2.444 ( 2.291 -1.621 -1.510) 3.187 2.474 ( -0.759 0.993 1.894) 2.269 2.508 ( -2.729 -7.776 -1.217) 8.330 2.532 ( -1.889 0.156 -2.495) 3.134 2.548 ( -2.965 -3.051 1.570) 4.535 2.585 ( -1.604 -0.997 0.027) 1.889 2.603 ( -0.617 -3.341 -0.267) 3.408 2.634 ( -1.107 -3.009 0.043) 3.207 2.697 ( 0.381 -5.060 -0.523) 5.101 2.719 ( -0.906 -2.367 1.721) 3.063 2.738 ( -0.504 -1.046 -0.633) 1.323 2.787 ( 1.469 -0.841 1.551) 2.295 2.830 ( -1.988 0.186 -1.492) 2.493 2.842 ( 2.068 -4.459 0.094) 4.916 2.875 ( 0.721 0.506 0.552) 1.039 2.933 ( -0.553 1.427 1.343) 2.036 2.966 ( -0.764 -4.705 -1.038) 4.878 3.032 ( 2.815 -3.770 -1.705) 5.005 3.073 ( -3.017 -3.409 0.845) 4.630 3.141 ( -0.831 -3.882 -0.661) 4.025 3.166 ( -0.660 -4.336 1.369) 4.595 3.254 ( 1.282 1.579 0.059) 2.035 3.312 ( -0.111 -1.799 -0.653) 1.917 3.358 ( -0.995 -3.141 -0.513) 3.334 3.376 ( 0.819 -2.734 1.060) 3.045 3.402 ( -0.764 -1.529 -0.890) 1.927 3.494 ( -1.088 -2.902 1.103) 3.290 3.528 ( -0.150 -0.799 -0.470) 0.939 3.619 ( -0.767 1.676 0.310) 1.869 3.632 ( -0.156 0.301 -0.759) 0.831 3.645 ( -0.547 -1.326 0.456) 1.506 3.713 ( -0.530 -1.254 -0.538) 1.464 3.758 ( -1.001 0.920 0.692) 1.525 3.799 ( -0.430 1.362 -0.125) 1.433 3.851 ( 0.433 1.358 0.361) 1.470 3.871 ( 0.369 1.741 -0.327) 1.809 3.881 ( -0.487 1.451 0.061) 1.532 3.969 ( 0.588 0.777 0.394) 1.051 4.009 ( -1.326 0.491 -0.164) 1.424 4.241 ( 0.308 0.317 0.299) 0.534 4.285 ( -0.430 2.305 -0.372) 2.374 4.338 ( -0.227 1.107 0.042) 1.131 4.386 ( -0.129 1.680 0.160) 1.692 4.451 ( 0.227 4.469 0.303) 4.485 4.474 ( -0.180 3.826 -0.266) 3.840 5.292 ( -0.044 0.622 -0.003) 0.624 ======================= Grid point 236 (106/117) ======================= q-point: ( 0.60 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -0.210 2.068 -0.280) 2.098 1.144 ( -0.185 0.256 0.184) 0.366 1.173 ( 0.351 2.590 0.883) 2.759 1.208 ( 0.222 -2.472 0.101) 2.484 1.231 ( 1.129 -2.914 -0.495) 3.164 1.265 ( -1.286 -6.732 -1.350) 6.986 1.352 ( 0.092 -10.311 0.242) 10.314 1.380 ( -0.978 -2.830 -0.374) 3.017 1.437 ( 0.214 -6.257 -0.789) 6.310 1.460 ( 1.894 -4.627 0.635) 5.040 1.480 ( 0.340 -1.669 -0.840) 1.899 1.533 ( 0.692 -3.615 2.193) 4.285 1.552 ( -0.784 -0.475 -0.978) 1.341 1.563 ( -2.611 -0.659 3.562) 4.465 1.578 ( 0.335 -1.119 -3.327) 3.526 1.643 ( -1.415 -0.543 -0.263) 1.538 1.708 ( -2.577 -1.803 0.477) 3.181 1.724 ( 1.662 -3.590 0.337) 3.971 1.752 ( 0.202 -1.159 0.080) 1.179 1.790 ( 0.490 -4.975 -0.785) 5.061 1.818 ( -1.406 0.161 4.936) 5.134 1.845 ( -3.170 -0.746 -2.100) 3.875 1.868 ( 0.163 -1.385 0.309) 1.428 1.893 ( 0.038 2.460 -2.760) 3.697 1.969 ( 0.492 -1.931 -0.557) 2.070 1.991 ( -0.879 -4.669 -0.086) 4.752 1.999 ( 0.755 -0.783 0.916) 1.422 2.013 ( 0.653 2.599 -1.652) 3.148 2.040 ( 0.775 -1.009 -0.636) 1.422 2.073 ( 1.556 -2.913 -1.257) 3.534 2.115 ( 1.504 2.780 3.007) 4.363 2.130 ( 0.863 3.192 -0.237) 3.315 2.159 ( -0.971 2.568 1.681) 3.219 2.165 ( 0.185 0.100 0.106) 0.235 2.190 ( -2.260 0.379 -1.241) 2.606 2.229 ( 1.392 -1.514 -0.719) 2.179 2.268 ( -2.060 0.374 0.432) 2.137 2.304 ( -0.406 2.822 0.999) 3.021 2.305 ( 0.688 4.184 -1.355) 4.451 2.313 ( 3.229 2.870 1.166) 4.475 2.416 ( -0.179 0.167 0.586) 0.635 2.428 ( -1.108 2.777 -1.162) 3.208 2.479 ( -0.586 2.167 -1.313) 2.600 2.530 ( 0.747 0.456 1.923) 2.113 2.545 ( -0.969 4.267 0.217) 4.381 2.566 ( -0.384 -2.175 -0.173) 2.215 2.611 ( -3.365 -1.711 2.291) 4.416 2.649 ( -0.592 -0.435 -2.968) 3.058 2.695 ( -0.240 -3.312 -0.436) 3.349 2.740 ( -0.484 -0.547 -0.394) 0.830 2.754 ( 0.345 1.180 0.321) 1.271 2.789 ( -0.970 -5.614 0.519) 5.721 2.840 ( 0.983 0.608 0.065) 1.157 2.870 ( -0.258 -3.541 -0.321) 3.565 2.899 ( 1.352 -3.714 0.771) 4.027 2.933 ( 0.246 -3.031 -1.416) 3.354 2.956 ( -0.002 -4.703 0.356) 4.716 3.081 ( -0.841 -5.096 0.164) 5.167 3.129 ( -1.069 -4.113 0.888) 4.342 3.145 ( -0.004 -4.428 -0.981) 4.535 3.245 ( 1.044 -1.389 0.048) 1.738 3.253 ( -0.452 -6.114 -0.203) 6.134 3.315 ( 0.124 -6.586 0.915) 6.650 3.363 ( 0.005 -2.077 0.291) 2.097 3.378 ( -0.059 0.129 -0.623) 0.639 3.447 ( 0.402 -4.512 -0.486) 4.555 3.461 ( -0.790 -3.256 0.382) 3.372 3.525 ( 0.467 -0.117 0.715) 0.862 3.567 ( -0.436 -2.942 -0.493) 3.014 3.596 ( -0.114 0.578 -0.231) 0.633 3.648 ( -0.139 -2.109 -0.249) 2.128 3.662 ( -0.056 -0.586 0.334) 0.677 3.717 ( -0.185 3.332 -0.046) 3.337 3.729 ( -0.522 2.793 0.150) 2.846 3.786 ( 0.030 -0.198 -0.222) 0.298 3.827 ( -0.055 1.637 0.142) 1.644 3.866 ( 0.523 -2.779 0.333) 2.848 3.873 ( -0.330 -2.173 -0.402) 2.234 3.974 ( 0.145 -0.913 0.521) 1.061 3.984 ( -0.564 1.521 -0.427) 1.678 4.219 ( 0.418 2.597 0.631) 2.705 4.243 ( -0.497 0.679 -0.720) 1.107 4.288 ( -0.330 4.463 -0.448) 4.498 4.344 ( 0.132 2.532 1.020) 2.733 4.368 ( 0.687 2.518 0.217) 2.620 4.388 ( -0.575 3.551 -0.614) 3.649 5.282 ( -0.011 0.313 0.000) 0.313 ======================= Grid point 237 (107/117) ======================= q-point: (-0.30 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -0.005 -0.287 0.016) 0.287 1.123 ( 0.467 0.002 -0.056) 0.471 1.130 ( -0.483 0.708 0.046) 0.858 1.245 ( 0.031 0.093 -0.112) 0.149 1.272 ( 0.796 -0.142 0.417) 0.909 1.377 ( -0.476 2.318 -0.313) 2.388 1.402 ( 0.083 -5.102 0.221) 5.107 1.453 ( -0.400 2.348 -1.541) 2.837 1.480 ( -1.316 2.303 0.853) 2.787 1.507 ( 0.365 2.472 -0.126) 2.502 1.515 ( -0.170 0.221 0.217) 0.354 1.531 ( -0.078 -4.487 0.382) 4.504 1.561 ( 0.185 1.014 -0.009) 1.031 1.593 ( 1.266 -0.344 0.980) 1.638 1.612 ( -0.306 -1.328 -0.266) 1.389 1.676 ( -0.076 -2.922 -0.895) 3.057 1.704 ( 0.724 2.481 -0.840) 2.718 1.743 ( -0.966 -2.929 1.316) 3.353 1.793 ( 0.461 -1.673 -0.600) 1.836 1.795 ( -0.567 1.574 -0.252) 1.692 1.831 ( 0.091 1.187 0.211) 1.210 1.884 ( 3.091 -1.109 -0.073) 3.285 1.897 ( -0.680 -3.949 1.487) 4.274 1.912 ( -2.943 -2.880 -1.350) 4.333 1.943 ( 0.819 2.950 -0.053) 3.062 2.008 ( 0.939 0.417 -0.587) 1.184 2.009 ( -0.025 0.810 1.667) 1.853 2.035 ( 0.373 1.589 0.614) 1.743 2.052 ( -0.560 1.299 0.980) 1.721 2.066 ( -1.044 -0.127 -2.397) 2.618 2.082 ( 0.199 2.615 -0.259) 2.636 2.114 ( 0.672 -0.688 0.193) 0.981 2.137 ( -0.906 -3.792 -0.020) 3.899 2.181 ( 1.157 0.403 -0.800) 1.463 2.186 ( -1.118 -0.538 1.398) 1.869 2.224 ( 0.652 3.710 -0.861) 3.864 2.225 ( -0.162 0.640 0.204) 0.691 2.253 ( 0.208 1.756 0.217) 1.781 2.280 ( 0.105 0.277 -0.047) 0.300 2.323 ( -0.196 -2.588 0.555) 2.654 2.326 ( 0.127 0.939 -0.579) 1.110 2.420 ( -0.929 -1.617 -0.030) 1.865 2.460 ( 0.179 -1.316 -0.244) 1.351 2.464 ( 0.224 1.555 0.310) 1.602 2.553 ( -0.825 -0.241 -0.282) 0.905 2.624 ( 1.108 -0.289 0.918) 1.468 2.629 ( 3.828 -2.443 1.347) 4.736 2.659 ( -4.138 -2.526 -2.235) 5.339 2.706 ( -0.136 0.453 -0.054) 0.476 2.743 ( 0.029 0.112 0.005) 0.115 2.757 ( -0.121 -0.630 -0.203) 0.672 2.793 ( 0.445 2.023 0.765) 2.208 2.878 ( -0.424 -1.641 0.488) 1.764 2.894 ( 0.343 1.358 -1.151) 1.813 2.950 ( 0.977 0.000 0.834) 1.284 2.965 ( -0.665 0.078 -0.295) 0.731 3.007 ( -0.202 0.643 -0.094) 0.680 3.154 ( -0.105 -1.682 -0.058) 1.686 3.193 ( -0.399 -0.216 1.409) 1.481 3.194 ( 0.396 -0.178 -1.385) 1.451 3.244 ( 0.095 1.094 0.016) 1.098 3.356 ( -0.017 -1.647 -0.037) 1.647 3.370 ( -0.077 1.757 0.075) 1.761 3.374 ( 0.021 -0.216 -0.126) 0.251 3.381 ( 0.090 -0.595 0.113) 0.612 3.503 ( -0.050 -0.603 -0.062) 0.609 3.515 ( -0.013 1.485 0.013) 1.485 3.559 ( 0.032 -0.675 0.049) 0.678 3.592 ( 0.001 -0.289 -0.032) 0.291 3.623 ( -0.151 3.980 0.427) 4.006 3.631 ( 0.482 -3.197 -0.161) 3.237 3.636 ( -0.264 -0.231 -0.345) 0.492 3.673 ( -0.144 -0.012 0.046) 0.152 3.691 ( 0.096 -0.562 0.058) 0.574 3.796 ( 0.045 1.004 -0.079) 1.008 3.798 ( -0.065 -0.863 0.064) 0.868 3.920 ( 0.014 0.215 -0.006) 0.215 3.934 ( 0.010 -0.677 0.000) 0.677 3.940 ( -0.013 0.003 0.010) 0.017 4.003 ( -0.001 -0.068 0.000) 0.068 4.188 ( -0.058 0.934 -0.163) 0.950 4.212 ( 0.201 -1.359 0.497) 1.461 4.237 ( -0.188 -0.246 -0.435) 0.534 4.296 ( 0.048 0.842 0.128) 0.853 4.347 ( 0.011 0.328 -0.031) 0.329 4.360 ( -0.015 -0.591 0.002) 0.591 5.279 ( -0.000 -0.006 -0.000) 0.006 ======================= Grid point 238 (108/117) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 107 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 0.000 -2.384 0.000) 2.384 1.145 ( 0.000 -1.975 0.000) 1.975 1.159 ( -0.000 -2.944 0.000) 2.944 1.197 ( -0.000 4.302 0.000) 4.302 1.240 ( -0.000 2.412 -0.000) 2.412 1.293 ( 0.000 5.415 0.000) 5.415 1.334 ( 0.000 9.111 0.000) 9.111 1.411 ( 0.000 4.347 0.000) 4.347 1.431 ( 0.000 2.942 0.000) 2.942 1.449 ( 0.000 1.655 0.000) 1.655 1.464 ( -0.000 6.418 0.000) 6.418 1.486 ( -0.000 6.421 -0.000) 6.421 1.570 ( -0.000 -2.105 0.000) 2.105 1.571 ( 0.000 1.412 -0.000) 1.412 1.606 ( 0.000 1.451 0.000) 1.451 1.672 ( -0.000 1.265 0.000) 1.265 1.704 ( 0.000 2.877 0.000) 2.877 1.750 ( 0.000 1.266 -0.000) 1.266 1.801 ( -0.000 6.151 0.000) 6.151 1.816 ( 0.000 1.646 0.000) 1.646 1.838 ( -0.000 -1.575 0.000) 1.575 1.860 ( 0.000 -2.981 -0.000) 2.981 1.881 ( -0.000 1.990 -0.000) 1.990 1.946 ( 0.000 0.031 0.000) 0.031 1.951 ( -0.000 1.805 -0.000) 1.805 1.960 ( 0.000 -0.827 0.000) 0.827 1.984 ( 0.000 1.395 0.000) 1.395 2.002 ( 0.000 1.637 -0.000) 1.637 2.027 ( -0.000 0.407 -0.000) 0.407 2.058 ( 0.000 0.298 -0.000) 0.298 2.107 ( 0.000 0.745 -0.000) 0.745 2.111 ( -0.000 -0.018 0.000) 0.018 2.112 ( 0.000 -3.382 0.000) 3.382 2.197 ( 0.000 -1.518 -0.000) 1.518 2.209 ( -0.000 -2.729 0.000) 2.729 2.213 ( 0.000 -0.107 0.000) 0.107 2.261 ( 0.000 -1.330 0.000) 1.330 2.291 ( 0.000 -1.394 0.000) 1.394 2.294 ( 0.000 -3.134 -0.000) 3.134 2.325 ( -0.000 -0.936 0.000) 0.936 2.379 ( -0.000 -2.451 -0.000) 2.451 2.469 ( 0.000 0.001 0.000) 0.001 2.479 ( -0.000 -3.788 0.000) 3.788 2.523 ( 0.000 -3.744 0.000) 3.744 2.556 ( 0.000 -0.872 0.000) 0.872 2.634 ( 0.000 0.781 -0.000) 0.781 2.662 ( -0.000 -1.451 0.000) 1.451 2.673 ( 0.000 2.606 -0.000) 2.606 2.723 ( 0.000 -1.677 0.000) 1.677 2.733 ( -0.000 4.221 -0.000) 4.221 2.762 ( 0.000 -2.118 0.000) 2.118 2.768 ( -0.000 -0.317 0.000) 0.317 2.845 ( -0.000 1.374 0.000) 1.374 2.875 ( 0.000 7.562 -0.000) 7.562 2.892 ( -0.000 1.276 -0.000) 1.276 2.901 ( 0.000 6.109 0.000) 6.109 2.955 ( 0.000 2.550 0.000) 2.550 3.102 ( 0.000 6.424 0.000) 6.424 3.139 ( 0.000 5.031 0.000) 5.031 3.170 ( 0.000 1.997 -0.000) 1.997 3.214 ( 0.000 1.348 0.000) 1.348 3.269 ( -0.000 6.813 -0.000) 6.813 3.302 ( 0.000 6.914 0.000) 6.914 3.359 ( 0.000 1.750 0.000) 1.750 3.387 ( 0.000 -0.364 0.000) 0.364 3.443 ( -0.000 3.103 -0.000) 3.103 3.462 ( 0.000 4.039 0.000) 4.039 3.531 ( 0.000 0.834 0.000) 0.834 3.568 ( 0.000 1.547 0.000) 1.547 3.605 ( 0.000 -0.930 0.000) 0.930 3.655 ( 0.000 0.485 -0.000) 0.485 3.659 ( 0.000 1.638 0.000) 1.638 3.723 ( 0.000 -2.861 0.000) 2.861 3.740 ( 0.000 -4.625 0.000) 4.625 3.792 ( 0.000 -0.685 0.000) 0.685 3.823 ( 0.000 -1.005 0.000) 1.005 3.855 ( -0.000 3.763 0.000) 3.763 3.878 ( 0.000 2.253 -0.000) 2.253 3.974 ( 0.000 1.356 -0.000) 1.356 3.996 ( 0.000 -2.321 0.000) 2.321 4.208 ( 0.000 -1.893 0.000) 1.893 4.257 ( -0.000 -1.659 -0.000) 1.659 4.315 ( -0.000 -6.127 -0.000) 6.127 4.315 ( 0.000 -1.631 0.000) 1.631 4.358 ( 0.000 -1.827 -0.000) 1.827 4.401 ( 0.000 -3.371 0.000) 3.371 5.282 ( 0.000 -0.335 0.000) 0.335 ======================= Grid point 244 (109/117) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( 1.240 -0.000 -9.341) 9.423 0.608 ( 7.539 -0.000 -12.101) 14.257 0.798 ( -8.767 0.000 6.769) 11.076 0.798 ( -0.196 0.000 5.744) 5.747 0.850 ( 3.833 -0.000 10.005) 10.714 0.905 ( -3.788 0.000 1.660) 4.136 0.976 ( 2.533 -0.000 -6.230) 6.725 1.027 ( 3.341 -0.000 -9.210) 9.797 1.045 ( 3.145 -0.000 2.226) 3.853 1.144 ( -1.679 0.000 2.424) 2.948 1.188 ( -1.013 0.000 -3.254) 3.408 1.190 ( 0.205 -0.000 1.326) 1.342 1.226 ( 2.205 -0.000 -2.040) 3.004 1.240 ( 6.732 -0.000 1.768) 6.960 1.301 ( -2.991 0.000 -1.347) 3.281 1.319 ( -1.960 0.000 -1.546) 2.496 1.398 ( -3.883 0.000 4.434) 5.894 1.403 ( 3.414 -0.000 -4.061) 5.305 1.431 ( 0.774 -0.000 2.714) 2.822 1.470 ( 1.823 -0.000 -0.960) 2.060 1.499 ( -3.780 0.000 3.204) 4.955 1.521 ( -0.495 0.000 -0.925) 1.049 1.565 ( -2.814 0.000 -0.427) 2.846 1.650 ( -3.944 0.000 2.910) 4.902 1.668 ( 0.473 -0.000 -1.277) 1.362 1.788 ( -3.157 0.000 0.216) 3.165 1.833 ( -4.025 0.000 -0.485) 4.054 1.856 ( -1.735 0.000 0.694) 1.869 1.872 ( 0.568 -0.000 2.861) 2.917 1.891 ( 1.482 -0.000 -1.591) 2.174 1.927 ( -0.854 0.000 0.007) 0.854 1.999 ( 0.751 -0.000 2.125) 2.254 2.044 ( 3.457 -0.000 -0.947) 3.584 2.055 ( -2.675 0.000 -3.455) 4.369 2.099 ( -3.824 0.000 -5.963) 7.084 2.128 ( -0.491 0.000 3.680) 3.712 2.133 ( -0.803 0.000 -0.881) 1.193 2.181 ( -1.032 0.000 -0.708) 1.252 2.200 ( 3.175 -0.000 -0.853) 3.287 2.246 ( -0.635 0.000 -0.221) 0.673 2.295 ( -1.610 0.000 0.624) 1.727 2.298 ( 0.444 -0.000 0.875) 0.981 2.370 ( -0.749 0.000 -0.966) 1.223 2.373 ( -0.167 0.000 -0.823) 0.840 2.396 ( 0.636 -0.000 3.389) 3.448 2.460 ( 0.663 -0.000 0.665) 0.939 2.493 ( -1.555 0.000 -2.969) 3.352 2.536 ( -2.707 0.000 -0.340) 2.728 2.611 ( -1.099 0.000 1.698) 2.022 2.664 ( -0.391 0.000 -4.166) 4.185 2.765 ( 1.673 -0.000 2.407) 2.932 2.845 ( 0.548 -0.000 -2.356) 2.419 2.852 ( -2.721 0.000 0.903) 2.867 2.866 ( 6.574 -0.000 -2.572) 7.059 2.901 ( -4.726 0.000 0.559) 4.759 2.903 ( -1.675 0.000 1.068) 1.987 2.945 ( 3.729 -0.000 2.277) 4.370 2.978 ( -1.214 0.000 1.337) 1.805 3.058 ( 2.593 -0.000 0.570) 2.655 3.072 ( -0.669 0.000 0.499) 0.835 3.097 ( -7.416 0.000 1.602) 7.587 3.142 ( -3.041 0.000 -2.986) 4.262 3.174 ( -0.005 0.000 0.225) 0.225 3.226 ( -7.032 0.000 -1.796) 7.258 3.335 ( 2.886 -0.000 1.517) 3.260 3.367 ( 0.355 -0.000 0.354) 0.501 3.403 ( -2.983 0.000 -0.008) 2.983 3.462 ( -1.219 0.000 0.106) 1.223 3.536 ( -0.706 0.000 -0.507) 0.869 3.658 ( -0.293 0.000 1.716) 1.741 3.675 ( 0.694 -0.000 -0.852) 1.099 3.720 ( -1.213 0.000 -1.224) 1.723 3.788 ( -0.181 0.000 1.647) 1.657 3.834 ( -0.238 0.000 0.024) 0.239 3.841 ( 0.183 -0.000 0.868) 0.887 3.848 ( 0.237 -0.000 -0.070) 0.247 3.905 ( -2.526 0.000 -0.344) 2.550 3.976 ( -2.015 0.000 -0.774) 2.159 4.017 ( 2.069 -0.000 -1.892) 2.803 4.074 ( -3.229 0.000 1.379) 3.511 4.317 ( -0.617 0.000 0.145) 0.634 4.347 ( -0.277 0.000 -0.126) 0.304 4.362 ( 0.137 -0.000 0.121) 0.183 4.402 ( -1.456 0.000 0.733) 1.630 4.531 ( -0.107 0.000 -0.162) 0.194 4.551 ( 0.205 -0.000 0.171) 0.267 5.330 ( -0.229 0.000 0.001) 0.229 ======================= Grid point 245 (110/117) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 3.950 -6.320 -7.531) 10.595 0.726 ( 5.513 -10.916 -3.839) 12.817 0.832 ( -3.461 -3.989 1.039) 5.382 0.837 ( -6.790 -1.828 1.509) 7.192 0.864 ( -5.195 -5.098 5.049) 8.858 0.932 ( 6.011 -4.762 7.762) 10.911 1.028 ( 1.476 -2.668 -2.716) 4.084 1.127 ( -3.116 -3.235 -2.249) 5.023 1.175 ( -0.724 -8.855 -0.050) 8.884 1.194 ( 0.111 -9.033 -2.230) 9.305 1.213 ( 0.852 -5.239 -0.002) 5.307 1.253 ( 0.219 -0.258 0.085) 0.349 1.299 ( 3.135 -9.239 -0.367) 9.764 1.330 ( 4.161 -7.038 -3.114) 8.749 1.354 ( -0.889 -3.974 -1.477) 4.332 1.394 ( -2.559 -7.036 2.034) 7.758 1.434 ( -2.149 -3.361 -2.728) 4.833 1.490 ( 1.145 -5.643 -0.367) 5.769 1.505 ( 0.874 -8.296 -1.452) 8.468 1.552 ( 1.095 -0.062 0.665) 1.283 1.557 ( 1.276 -6.325 -0.486) 6.470 1.616 ( -1.836 -8.638 3.643) 9.553 1.632 ( -1.989 -10.806 -0.767) 11.014 1.688 ( -2.929 -2.468 0.721) 3.898 1.714 ( 4.540 -6.497 1.223) 8.020 1.783 ( -3.511 -1.020 2.406) 4.376 1.848 ( 0.425 -2.466 0.089) 2.504 1.876 ( -4.774 -1.420 1.826) 5.305 1.894 ( -0.576 -3.487 2.658) 4.422 1.928 ( -2.620 -2.329 -1.516) 3.819 1.985 ( -2.806 -1.476 -3.419) 4.663 2.018 ( 4.384 -1.289 0.379) 4.586 2.035 ( 1.634 -1.723 -0.587) 2.446 2.089 ( -0.919 -1.552 -1.892) 2.614 2.127 ( -0.414 -3.049 -2.903) 4.231 2.141 ( -1.268 -6.189 4.411) 7.705 2.176 ( -1.480 0.876 -1.264) 2.134 2.224 ( -3.491 -4.093 0.114) 5.381 2.233 ( 0.111 -3.123 0.917) 3.256 2.242 ( -3.266 -3.490 -1.935) 5.156 2.280 ( 1.328 -1.645 -0.814) 2.266 2.357 ( -0.180 1.061 -0.989) 1.461 2.377 ( -0.142 -5.030 1.734) 5.322 2.379 ( 0.575 -0.475 -0.048) 0.747 2.405 ( 1.700 0.173 3.497) 3.892 2.475 ( -1.297 0.588 -4.356) 4.583 2.487 ( 1.819 -2.164 0.859) 2.955 2.530 ( -1.000 -0.549 0.810) 1.399 2.630 ( -1.463 1.692 -1.318) 2.596 2.641 ( -1.993 -3.248 -0.666) 3.868 2.750 ( 1.328 4.243 -0.673) 4.497 2.754 ( 1.946 3.062 0.456) 3.657 2.840 ( 0.590 1.118 0.086) 1.267 2.865 ( 1.904 2.929 -3.916) 5.248 2.886 ( -1.246 2.033 1.267) 2.700 2.904 ( -2.159 0.924 1.338) 2.703 2.931 ( -0.870 2.239 0.988) 2.598 2.992 ( 0.973 -1.081 -0.407) 1.510 3.018 ( 1.370 1.450 1.467) 2.476 3.036 ( -3.205 1.175 -0.080) 3.415 3.082 ( -1.729 -0.360 1.065) 2.063 3.166 ( -3.357 -1.814 -1.652) 4.158 3.192 ( -4.279 -1.621 0.964) 4.676 3.271 ( 0.583 -3.324 -1.010) 3.522 3.340 ( 1.431 0.724 2.550) 3.012 3.360 ( 0.094 0.513 -0.154) 0.544 3.386 ( -2.198 0.384 -0.597) 2.309 3.439 ( -1.551 1.600 -0.086) 2.230 3.523 ( 0.013 0.545 -0.243) 0.597 3.641 ( -0.350 2.260 0.899) 2.457 3.663 ( 0.002 0.013 -0.356) 0.356 3.712 ( -0.827 0.258 -0.973) 1.303 3.755 ( -0.627 3.250 0.941) 3.441 3.807 ( -0.315 1.812 0.277) 1.860 3.865 ( -0.380 -0.700 1.120) 1.375 3.879 ( -1.338 0.251 -1.338) 1.908 3.889 ( 1.255 -1.582 0.533) 2.088 3.963 ( -0.710 1.609 -0.876) 1.964 4.002 ( 0.326 0.423 -1.778) 1.857 4.029 ( -3.043 2.629 2.013) 4.497 4.284 ( -0.259 1.996 0.202) 2.023 4.361 ( 0.001 0.529 0.092) 0.537 4.368 ( -0.357 0.813 0.555) 1.047 4.385 ( -0.824 -0.940 -0.192) 1.265 4.538 ( -0.097 -0.163 -0.054) 0.198 4.551 ( 0.101 0.222 0.095) 0.262 5.322 ( -0.155 0.644 -0.002) 0.663 ======================= Grid point 246 (111/117) ======================= q-point: ( 0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( -0.448 -9.038 -1.485) 9.170 0.886 ( -3.901 -5.875 -1.149) 7.146 0.933 ( 2.335 -7.909 -1.172) 8.330 0.963 ( -1.703 -8.110 -0.183) 8.289 1.025 ( 1.426 -7.840 3.200) 8.588 1.104 ( 1.993 -10.822 1.022) 11.051 1.138 ( 0.310 -7.730 0.489) 7.752 1.146 ( -3.960 -3.711 -1.988) 5.780 1.237 ( -0.273 0.412 0.432) 0.656 1.274 ( -0.440 -3.725 0.361) 3.768 1.365 ( 2.103 -1.585 -2.617) 3.713 1.370 ( 0.818 -1.973 0.883) 2.311 1.419 ( 0.057 -2.324 1.828) 2.958 1.433 ( -0.035 -5.449 -0.442) 5.467 1.474 ( -0.784 -8.378 0.162) 8.416 1.534 ( -2.063 -4.084 -1.062) 4.697 1.571 ( 0.607 -2.392 -1.018) 2.670 1.607 ( 0.146 -10.828 -0.670) 10.849 1.630 ( 2.546 -8.586 1.901) 9.155 1.659 ( -1.310 -4.390 -0.365) 4.596 1.701 ( -0.282 -3.253 0.628) 3.325 1.742 ( 2.856 -5.255 -3.789) 7.080 1.782 ( -2.370 -5.108 5.376) 7.785 1.819 ( -0.360 -4.630 -2.711) 5.377 1.844 ( 0.515 -9.007 -2.465) 9.352 1.877 ( -1.572 -4.525 0.250) 4.797 1.935 ( -0.820 -5.593 1.101) 5.759 1.942 ( -0.294 -5.264 -1.378) 5.449 1.955 ( -0.624 -0.585 0.663) 1.082 1.990 ( 1.262 -5.542 0.477) 5.704 2.038 ( -1.117 -1.433 1.570) 2.401 2.052 ( 0.498 -4.419 -1.139) 4.590 2.062 ( -1.510 -2.917 0.761) 3.371 2.141 ( -0.854 -1.159 -0.452) 1.509 2.154 ( -0.093 -6.243 -0.100) 6.244 2.209 ( -3.504 -0.930 -1.417) 3.892 2.220 ( 1.100 -7.060 0.722) 7.182 2.288 ( -0.157 -1.365 0.610) 1.504 2.303 ( 0.723 0.725 2.443) 2.649 2.358 ( -0.737 -0.233 -1.924) 2.073 2.367 ( -0.454 -5.079 1.152) 5.227 2.384 ( -0.951 -5.185 -1.108) 5.387 2.412 ( 1.769 -2.621 3.775) 4.924 2.444 ( -1.601 -8.878 -0.918) 9.068 2.457 ( -2.537 -2.415 -2.426) 4.261 2.484 ( -0.052 -3.761 0.428) 3.786 2.539 ( 1.140 -1.631 -0.828) 2.156 2.574 ( -0.407 -1.913 -0.524) 2.025 2.593 ( -2.050 -0.734 0.755) 2.305 2.622 ( 0.302 5.028 -1.034) 5.142 2.705 ( 0.228 0.821 -1.584) 1.799 2.744 ( 1.899 -2.185 1.228) 3.145 2.789 ( -0.253 3.191 0.021) 3.201 2.818 ( 1.449 3.337 0.028) 3.638 2.867 ( 0.054 -1.848 -1.263) 2.239 2.875 ( -0.709 -0.114 1.677) 1.824 2.884 ( -1.571 0.365 -0.271) 1.635 2.967 ( -0.747 2.034 0.238) 2.180 3.008 ( -0.069 -0.386 0.354) 0.528 3.041 ( 0.411 0.119 -0.553) 0.699 3.093 ( 1.097 -0.628 0.343) 1.310 3.147 ( -4.280 1.185 0.200) 4.446 3.238 ( -1.794 -2.496 -0.352) 3.094 3.313 ( 0.311 -0.567 0.064) 0.650 3.328 ( 0.633 0.255 1.623) 1.760 3.351 ( 1.215 0.407 -0.675) 1.449 3.379 ( -0.016 0.465 -0.639) 0.790 3.423 ( -2.859 -2.552 0.141) 3.835 3.524 ( 0.398 -0.186 0.128) 0.458 3.615 ( -0.510 -0.335 0.289) 0.675 3.650 ( -0.285 1.114 -0.127) 1.157 3.674 ( -0.664 3.721 0.268) 3.789 3.705 ( -0.423 0.126 -0.594) 0.740 3.777 ( -0.585 1.158 0.276) 1.326 3.836 ( -0.510 2.121 0.258) 2.197 3.881 ( -0.038 0.216 -0.037) 0.222 3.899 ( 0.379 0.934 -0.689) 1.221 3.910 ( -0.129 2.589 0.311) 2.611 3.990 ( 0.415 0.596 0.661) 0.982 4.008 ( -1.810 -0.064 -0.228) 1.825 4.252 ( -0.049 0.948 0.112) 0.956 4.323 ( -0.264 1.770 0.061) 1.791 4.356 ( -0.103 0.742 0.124) 0.760 4.403 ( -0.175 -0.122 -0.086) 0.230 4.520 ( -0.023 2.083 0.052) 2.084 4.532 ( -0.008 1.855 -0.008) 1.855 5.306 ( -0.066 0.806 -0.004) 0.809 ======================= Grid point 247 (112/117) ======================= q-point: ( 0.60 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -0.201 -1.980 -0.175) 1.998 1.016 ( -1.457 -9.313 -0.540) 9.441 1.106 ( 0.466 -9.143 -0.007) 9.155 1.118 ( -0.553 -7.065 -0.414) 7.099 1.159 ( 0.150 -4.401 0.030) 4.403 1.241 ( -0.109 0.551 0.840) 1.010 1.253 ( 0.410 -1.702 -1.162) 2.101 1.262 ( -0.463 -6.943 0.357) 6.968 1.317 ( 1.053 -4.111 -0.521) 4.276 1.344 ( -0.457 -5.469 0.190) 5.491 1.396 ( 0.528 -7.773 0.805) 7.832 1.425 ( 0.423 -3.654 0.111) 3.680 1.463 ( 0.194 -4.077 0.125) 4.084 1.557 ( 0.218 -5.586 0.107) 5.592 1.566 ( -1.323 -1.028 0.965) 1.933 1.575 ( -0.976 -2.336 -1.027) 2.732 1.652 ( 2.248 -3.324 -2.332) 4.641 1.673 ( -2.266 0.690 2.531) 3.467 1.702 ( -0.657 -2.619 -0.291) 2.716 1.743 ( 0.727 -2.015 0.736) 2.265 1.816 ( 0.477 -1.259 2.571) 2.903 1.834 ( -0.974 -0.868 -2.629) 2.935 1.852 ( 0.098 -2.814 0.500) 2.859 1.863 ( -1.361 -4.660 -1.073) 4.972 1.923 ( -0.186 -4.162 0.271) 4.175 1.941 ( 1.308 1.542 -1.016) 2.263 1.952 ( -1.556 -0.737 0.302) 1.748 2.012 ( 0.748 -2.187 -0.681) 2.410 2.036 ( -0.350 -4.442 0.817) 4.530 2.058 ( 1.881 -1.422 0.584) 2.430 2.085 ( -2.278 -1.127 -1.626) 3.017 2.120 ( 0.529 -3.849 0.397) 3.905 2.139 ( -0.027 -0.151 -0.313) 0.348 2.204 ( 0.615 -0.606 -0.236) 0.895 2.246 ( 0.340 2.882 -1.285) 3.174 2.263 ( -0.355 -0.199 1.306) 1.368 2.276 ( -0.713 -0.753 -1.188) 1.577 2.317 ( 3.353 -2.981 4.647) 6.460 2.335 ( -0.397 -0.758 -0.568) 1.027 2.378 ( -0.871 -4.022 0.038) 4.115 2.392 ( -1.417 0.429 -1.498) 2.106 2.447 ( -0.365 3.266 -0.148) 3.289 2.480 ( 1.895 -1.918 0.149) 2.701 2.493 ( -1.538 -5.100 -1.095) 5.438 2.515 ( -1.936 -5.397 -0.558) 5.761 2.542 ( -0.703 -1.818 1.030) 2.204 2.579 ( -0.462 0.757 -0.211) 0.912 2.601 ( -0.137 -3.611 0.117) 3.615 2.629 ( -0.436 -3.146 -0.118) 3.178 2.699 ( 0.359 -3.894 -0.187) 3.915 2.717 ( -0.422 -4.641 0.810) 4.730 2.734 ( -0.407 0.375 -0.417) 0.693 2.799 ( 1.247 -0.310 1.383) 1.888 2.816 ( -1.512 -0.301 -1.423) 2.098 2.851 ( 0.794 -5.333 0.081) 5.393 2.880 ( 0.366 1.357 0.272) 1.432 2.933 ( -0.157 1.851 0.491) 1.921 2.960 ( -0.407 -5.262 -0.470) 5.299 3.045 ( 2.663 -3.514 -1.440) 4.638 3.059 ( -2.646 -3.456 1.192) 4.513 3.136 ( -0.425 -3.078 -0.274) 3.120 3.165 ( -0.239 -5.445 0.512) 5.474 3.259 ( 0.492 1.141 0.013) 1.242 3.311 ( -0.035 -1.724 -0.248) 1.742 3.353 ( -0.399 -3.549 -0.218) 3.578 3.384 ( 0.863 -1.954 1.198) 2.449 3.395 ( -0.876 -1.850 -1.137) 2.341 3.492 ( -0.381 -3.744 0.464) 3.792 3.527 ( -0.066 -0.190 -0.192) 0.278 3.616 ( -0.287 1.622 0.114) 1.651 3.631 ( -0.055 0.431 -0.273) 0.514 3.644 ( -0.221 -1.596 0.162) 1.619 3.710 ( -0.200 -1.282 -0.210) 1.315 3.755 ( -0.365 0.966 0.271) 1.068 3.797 ( -0.147 1.320 -0.047) 1.329 3.853 ( 0.131 1.409 0.149) 1.423 3.873 ( 0.603 1.606 -0.256) 1.735 3.877 ( -0.671 1.365 0.131) 1.527 3.973 ( 0.433 0.987 0.210) 1.098 4.002 ( -0.695 0.246 -0.119) 0.747 4.243 ( 0.139 0.104 0.130) 0.217 4.283 ( -0.181 2.541 -0.155) 2.552 4.337 ( -0.090 1.125 0.012) 1.129 4.386 ( -0.049 1.619 0.063) 1.621 4.453 ( 0.097 4.344 0.130) 4.347 4.472 ( -0.080 3.917 -0.116) 3.920 5.291 ( -0.017 0.614 -0.001) 0.614 ======================= Grid point 248 (113/117) ======================= q-point: ( 0.70 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -0.000 2.036 -0.000) 2.036 1.143 ( -0.000 0.052 -0.000) 0.052 1.175 ( -0.000 2.661 0.000) 2.661 1.208 ( -0.000 -2.411 -0.000) 2.411 1.235 ( -0.000 -2.729 0.000) 2.729 1.259 ( -0.000 -7.248 -0.000) 7.248 1.353 ( -0.000 -10.327 0.000) 10.327 1.377 ( -0.000 -2.752 0.000) 2.752 1.437 ( -0.000 -6.455 -0.000) 6.455 1.467 ( 0.000 -4.247 0.000) 4.247 1.480 ( -0.000 -1.811 -0.000) 1.811 1.536 ( -0.000 -0.975 0.000) 0.975 1.549 ( -0.000 -3.103 0.000) 3.103 1.558 ( 0.000 -0.815 -0.000) 0.815 1.576 ( -0.000 -0.984 0.000) 0.984 1.639 ( -0.000 -0.225 -0.000) 0.225 1.699 ( -0.000 -1.416 -0.000) 1.416 1.730 ( -0.000 -5.565 -0.000) 5.565 1.756 ( -0.000 0.253 -0.000) 0.253 1.791 ( -0.000 -5.283 0.000) 5.283 1.824 ( 0.000 0.788 0.000) 0.788 1.825 ( -0.000 -1.738 -0.000) 1.738 1.868 ( -0.000 -0.853 -0.000) 0.853 1.892 ( -0.000 2.556 -0.000) 2.556 1.970 ( -0.000 -1.781 -0.000) 1.781 1.988 ( -0.000 -5.376 0.000) 5.376 2.003 ( -0.000 -1.895 0.000) 1.895 2.012 ( -0.000 4.344 -0.000) 4.344 2.042 ( -0.000 -1.489 -0.000) 1.489 2.076 ( -0.000 -3.066 0.000) 3.066 2.121 ( -0.000 3.056 0.000) 3.056 2.137 ( 0.000 4.964 -0.000) 4.964 2.159 ( -0.000 2.571 0.000) 2.571 2.167 ( -0.000 -0.498 0.000) 0.498 2.178 ( 0.000 -1.160 0.000) 1.160 2.233 ( -0.000 -1.968 0.000) 1.968 2.261 ( 0.000 0.936 -0.000) 0.936 2.304 ( -0.000 3.170 0.000) 3.170 2.306 ( -0.000 3.938 0.000) 3.938 2.326 ( -0.000 3.935 -0.000) 3.935 2.411 ( -0.000 -0.734 0.000) 0.734 2.428 ( -0.000 1.975 0.000) 1.975 2.475 ( -0.000 2.476 0.000) 2.476 2.534 ( -0.000 0.017 -0.000) 0.017 2.541 ( 0.000 6.903 0.000) 6.903 2.569 ( 0.000 -3.919 0.000) 3.919 2.601 ( -0.000 -2.488 -0.000) 2.488 2.644 ( -0.000 0.015 -0.000) 0.015 2.694 ( -0.000 -3.349 -0.000) 3.349 2.738 ( -0.000 -0.847 0.000) 0.847 2.755 ( -0.000 1.435 0.000) 1.435 2.787 ( -0.000 -5.835 0.000) 5.835 2.843 ( 0.000 1.076 0.000) 1.076 2.868 ( -0.000 -4.134 -0.000) 4.134 2.905 ( -0.000 -3.599 0.000) 3.599 2.932 ( -0.000 -2.667 -0.000) 2.667 2.957 ( -0.000 -5.023 0.000) 5.023 3.078 ( -0.000 -4.929 0.000) 4.929 3.126 ( -0.000 -4.085 -0.000) 4.085 3.144 ( -0.000 -4.566 0.000) 4.566 3.249 ( 0.000 -0.366 -0.000) 0.366 3.250 ( -0.000 -7.101 0.000) 7.101 3.316 ( -0.000 -6.588 -0.000) 6.588 3.364 ( -0.000 -2.171 0.000) 2.171 3.378 ( -0.000 0.137 -0.000) 0.137 3.447 ( 0.000 -4.290 -0.000) 4.290 3.459 ( -0.000 -3.453 0.000) 3.453 3.528 ( -0.000 0.150 -0.000) 0.150 3.565 ( -0.000 -3.330 0.000) 3.330 3.596 ( -0.000 0.545 -0.000) 0.545 3.647 ( -0.000 -2.184 -0.000) 2.184 3.662 ( -0.000 -0.591 0.000) 0.591 3.716 ( -0.000 3.406 0.000) 3.406 3.727 ( -0.000 2.632 -0.000) 2.632 3.786 ( -0.000 -0.265 -0.000) 0.265 3.827 ( -0.000 1.632 -0.000) 1.632 3.869 ( 0.000 -2.507 0.000) 2.507 3.870 ( -0.000 -2.325 -0.000) 2.325 3.976 ( -0.000 -1.160 -0.000) 1.160 3.981 ( -0.000 1.739 0.000) 1.739 4.221 ( -0.000 2.921 -0.000) 2.921 4.241 ( -0.000 0.311 -0.000) 0.311 4.287 ( -0.000 4.520 0.000) 4.520 4.345 ( -0.000 2.377 -0.000) 2.377 4.371 ( 0.000 2.518 0.000) 2.518 4.385 ( -0.000 3.678 -0.000) 3.678 5.282 ( 0.000 0.311 0.000) 0.311 ======================= Grid point 256 (114/117) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 0.803 -0.000 -5.456) 5.515 0.638 ( 10.181 -0.000 -9.966) 14.247 0.750 ( -11.165 0.000 6.579) 12.959 0.806 ( -0.251 0.000 3.109) 3.120 0.890 ( -2.048 0.000 0.932) 2.250 0.895 ( 3.642 -0.000 9.699) 10.360 0.967 ( -0.578 0.000 -7.015) 7.038 1.038 ( 7.043 -0.000 -8.493) 11.033 1.066 ( 2.040 -0.000 2.028) 2.876 1.117 ( -8.687 0.000 4.084) 9.599 1.181 ( 0.783 -0.000 -2.624) 2.738 1.189 ( -0.492 0.000 -0.156) 0.516 1.241 ( 3.142 -0.000 -0.386) 3.166 1.280 ( -3.117 0.000 -1.140) 3.319 1.285 ( 6.972 -0.000 -0.216) 6.976 1.313 ( 1.035 -0.000 -0.923) 1.387 1.379 ( -5.777 0.000 4.276) 7.187 1.413 ( 2.428 -0.000 -2.972) 3.838 1.439 ( 0.191 -0.000 2.185) 2.193 1.463 ( -2.516 0.000 -1.442) 2.900 1.493 ( -0.168 0.000 2.301) 2.307 1.517 ( -0.259 0.000 -0.732) 0.776 1.549 ( -1.945 0.000 -0.175) 1.953 1.635 ( -2.279 0.000 1.933) 2.988 1.687 ( 5.402 -0.000 0.891) 5.475 1.770 ( -3.200 0.000 0.667) 3.269 1.804 ( -4.813 0.000 -2.248) 5.313 1.846 ( -1.650 0.000 0.380) 1.693 1.881 ( 0.651 -0.000 1.313) 1.466 1.900 ( 1.855 -0.000 -1.002) 2.109 1.924 ( -0.466 0.000 0.755) 0.887 2.006 ( -0.121 0.000 1.576) 1.581 2.030 ( -2.497 0.000 -2.096) 3.260 2.058 ( 1.818 -0.000 -0.641) 1.928 2.074 ( -0.637 0.000 -4.168) 4.216 2.125 ( -1.064 0.000 0.415) 1.142 2.137 ( 0.472 -0.000 1.605) 1.673 2.171 ( -1.250 0.000 -1.055) 1.636 2.215 ( 1.313 -0.000 1.182) 1.766 2.231 ( -3.175 0.000 -0.505) 3.215 2.296 ( 1.494 -0.000 -0.712) 1.655 2.298 ( -0.537 0.000 0.140) 0.555 2.366 ( 0.024 -0.000 -0.388) 0.389 2.368 ( -0.624 0.000 -0.799) 1.014 2.415 ( 2.638 -0.000 4.350) 5.088 2.467 ( -0.098 0.000 -0.804) 0.810 2.478 ( 0.260 -0.000 -2.247) 2.262 2.518 ( -3.191 0.000 -0.213) 3.198 2.608 ( -0.812 0.000 1.764) 1.942 2.652 ( -0.644 0.000 -3.234) 3.298 2.782 ( 1.946 -0.000 1.919) 2.733 2.840 ( -0.904 0.000 -1.331) 1.609 2.843 ( -0.425 0.000 0.455) 0.623 2.874 ( -2.392 0.000 -1.349) 2.746 2.898 ( -0.764 0.000 0.691) 1.030 2.906 ( 6.508 -0.000 -0.869) 6.566 2.962 ( -0.124 0.000 1.306) 1.312 2.985 ( 2.944 -0.000 1.479) 3.295 3.048 ( -7.057 0.000 2.215) 7.397 3.070 ( 1.334 -0.000 0.309) 1.369 3.083 ( 1.042 -0.000 0.070) 1.044 3.116 ( -4.041 0.000 -1.454) 4.294 3.175 ( -0.002 0.000 0.142) 0.142 3.181 ( -5.943 0.000 -2.490) 6.444 3.353 ( 2.526 -0.000 0.563) 2.588 3.370 ( 0.295 -0.000 0.349) 0.457 3.386 ( -2.817 0.000 0.110) 2.819 3.455 ( -1.080 0.000 0.147) 1.090 3.533 ( -0.163 0.000 -0.263) 0.309 3.660 ( -0.082 0.000 0.725) 0.730 3.680 ( 1.047 -0.000 0.045) 1.048 3.712 ( -0.584 0.000 -0.705) 0.915 3.790 ( -0.353 0.000 1.007) 1.067 3.833 ( -0.125 0.000 0.012) 0.125 3.842 ( -0.166 0.000 0.413) 0.445 3.849 ( 0.125 -0.000 -0.040) 0.131 3.893 ( -1.286 0.000 -0.254) 1.311 3.964 ( -1.584 0.000 -0.596) 1.692 4.026 ( 2.206 -0.000 -1.573) 2.710 4.059 ( -2.987 0.000 1.280) 3.250 4.316 ( -0.084 0.000 0.249) 0.262 4.345 ( -0.154 0.000 -0.067) 0.168 4.362 ( 0.067 -0.000 0.065) 0.093 4.395 ( -1.168 0.000 0.312) 1.209 4.531 ( -0.057 0.000 -0.090) 0.107 4.552 ( 0.118 -0.000 0.096) 0.152 5.329 ( -0.139 0.000 0.002) 0.139 ======================= Grid point 257 (115/117) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 2.512 -6.815 -3.656) 8.131 0.753 ( 5.053 -10.020 -1.664) 11.345 0.790 ( -6.063 -3.330 -0.127) 6.919 0.823 ( -2.780 -3.604 2.504) 5.196 0.853 ( -1.001 -4.217 1.428) 4.563 0.972 ( 2.380 -5.319 4.140) 7.148 1.035 ( 2.259 -2.607 -1.311) 3.690 1.095 ( -3.937 -1.483 -2.187) 4.741 1.179 ( 1.013 -7.127 0.697) 7.233 1.189 ( -0.596 -11.295 -1.284) 11.383 1.218 ( 0.580 -4.269 0.272) 4.316 1.254 ( -0.001 0.486 0.049) 0.488 1.317 ( 2.652 -12.190 -0.180) 12.477 1.338 ( 0.161 -6.292 -0.459) 6.310 1.346 ( -0.893 -3.204 -1.830) 3.796 1.391 ( 0.602 -6.761 1.034) 6.866 1.418 ( -1.868 -4.092 -1.023) 4.614 1.494 ( 0.565 -5.000 -0.286) 5.040 1.503 ( -0.342 -7.975 -0.481) 7.997 1.554 ( 0.152 -4.501 -0.346) 4.517 1.571 ( 2.425 -3.866 -0.026) 4.564 1.608 ( -2.741 -7.269 2.154) 8.062 1.618 ( -1.311 -10.634 -0.855) 10.748 1.678 ( -0.923 -3.264 0.989) 3.533 1.744 ( 3.111 -3.837 -1.931) 5.304 1.786 ( 3.149 -3.089 4.850) 6.556 1.832 ( -5.983 -3.985 -1.087) 7.271 1.860 ( 0.013 -2.002 -0.032) 2.002 1.901 ( 0.454 -3.457 2.582) 4.339 1.914 ( -1.153 -2.555 -1.239) 3.065 1.959 ( -2.585 -0.562 -2.422) 3.587 2.039 ( 1.230 -2.219 -0.624) 2.612 2.052 ( 4.123 -0.019 2.699) 4.928 2.079 ( -1.798 0.247 -2.844) 3.374 2.123 ( 1.489 -4.906 -2.344) 5.638 2.134 ( -3.334 -6.204 2.712) 7.547 2.166 ( -0.825 -0.173 -0.342) 0.910 2.211 ( -1.218 -0.082 0.669) 1.392 2.223 ( -1.300 -5.743 -1.216) 6.012 2.236 ( 0.153 -2.687 0.505) 2.739 2.284 ( 0.457 -1.974 -0.467) 2.079 2.354 ( -0.115 0.990 -0.512) 1.120 2.377 ( -0.117 -4.014 0.243) 4.023 2.383 ( 0.315 -2.341 0.196) 2.370 2.426 ( 1.889 0.438 4.352) 4.765 2.456 ( -1.647 1.112 -4.260) 4.701 2.499 ( 1.238 -1.027 0.319) 1.640 2.526 ( -0.630 -2.166 0.482) 2.306 2.620 ( -0.590 2.220 -1.408) 2.694 2.633 ( -0.838 -4.114 0.542) 4.233 2.753 ( 0.359 6.152 -0.400) 6.175 2.765 ( 0.780 2.061 0.457) 2.250 2.847 ( 1.724 0.349 0.324) 1.789 2.860 ( -1.050 1.529 -2.350) 2.994 2.883 ( -0.667 3.570 1.214) 3.829 2.905 ( 1.042 0.171 -0.112) 1.062 2.930 ( 0.016 4.319 0.488) 4.346 2.987 ( -2.195 -0.614 0.274) 2.296 3.023 ( 0.408 1.740 0.447) 1.842 3.033 ( 0.858 -0.139 -0.129) 0.879 3.077 ( -0.675 -0.894 0.910) 1.443 3.141 ( -2.908 -1.319 -1.231) 3.423 3.179 ( -0.966 -2.135 0.438) 2.384 3.272 ( 0.158 -4.333 -0.468) 4.361 3.352 ( 1.222 1.242 1.878) 2.562 3.360 ( -0.019 0.980 -0.805) 1.269 3.373 ( -1.395 -0.418 -0.329) 1.493 3.431 ( -0.700 1.820 -0.042) 1.951 3.523 ( 0.060 0.381 -0.086) 0.395 3.642 ( 0.042 2.614 0.366) 2.640 3.662 ( -0.010 0.023 -0.104) 0.107 3.707 ( -0.278 0.231 -0.353) 0.505 3.754 ( -0.295 3.433 0.352) 3.463 3.805 ( -0.178 1.883 0.094) 1.894 3.866 ( -0.103 -0.267 1.196) 1.230 3.870 ( -0.554 -0.080 -1.293) 1.409 3.896 ( 0.698 -2.066 0.242) 2.194 3.957 ( -0.586 0.908 -0.404) 1.154 4.002 ( 0.729 1.527 -1.163) 2.053 4.017 ( -1.701 2.180 1.250) 3.034 4.283 ( -0.038 1.982 0.107) 1.986 4.360 ( -0.065 0.880 0.037) 0.883 4.368 ( -0.003 1.150 0.321) 1.194 4.380 ( -0.437 -1.724 -0.211) 1.791 4.537 ( -0.033 -0.172 -0.018) 0.176 4.552 ( 0.036 0.249 0.034) 0.254 5.322 ( -0.058 0.632 -0.000) 0.634 ======================= Grid point 258 (116/117) ======================= q-point: ( 0.60 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 107 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 0.000 -8.295 -0.000) 8.295 0.873 ( -0.000 -6.840 -0.000) 6.840 0.941 ( -0.000 -6.841 0.000) 6.841 0.956 ( -0.000 -8.726 0.000) 8.726 1.034 ( -0.000 -8.384 0.000) 8.384 1.119 ( 0.000 -9.111 0.000) 9.111 1.122 ( -0.000 -5.382 -0.000) 5.382 1.139 ( -0.000 -7.714 0.000) 7.714 1.237 ( -0.000 0.653 -0.000) 0.653 1.273 ( -0.000 -3.538 0.000) 3.538 1.370 ( 0.000 -1.358 -0.000) 1.358 1.372 ( -0.000 -2.481 0.000) 2.481 1.421 ( -0.000 -2.169 0.000) 2.169 1.432 ( -0.000 -5.662 -0.000) 5.662 1.472 ( 0.000 -8.376 -0.000) 8.376 1.526 ( -0.000 -3.981 -0.000) 3.981 1.572 ( -0.000 -2.081 -0.000) 2.081 1.606 ( -0.000 -11.803 -0.000) 11.803 1.644 ( 0.000 -8.014 0.000) 8.014 1.651 ( -0.000 -3.988 -0.000) 3.988 1.701 ( -0.000 -3.532 0.000) 3.532 1.745 ( -0.000 -4.697 0.000) 4.697 1.783 ( -0.000 -6.017 0.000) 6.017 1.812 ( -0.000 -2.992 -0.000) 2.992 1.844 ( -0.000 -9.762 -0.000) 9.762 1.872 ( -0.000 -4.655 0.000) 4.655 1.934 ( -0.000 -6.292 0.000) 6.292 1.940 ( -0.000 -5.160 -0.000) 5.160 1.954 ( -0.000 -0.276 0.000) 0.276 1.996 ( -0.000 -5.908 -0.000) 5.908 2.034 ( -0.000 -3.147 -0.000) 3.147 2.054 ( -0.000 -1.001 -0.000) 1.001 2.057 ( -0.000 -3.392 0.000) 3.392 2.138 ( -0.000 -1.210 -0.000) 1.210 2.156 ( 0.000 -7.113 0.000) 7.113 2.195 ( -0.000 -1.304 -0.000) 1.304 2.225 ( -0.000 -7.626 0.000) 7.626 2.288 ( -0.000 -1.280 -0.000) 1.280 2.308 ( 0.000 1.082 0.000) 1.082 2.351 ( -0.000 -2.169 0.000) 2.169 2.369 ( -0.000 -3.169 -0.000) 3.169 2.379 ( -0.000 -5.856 -0.000) 5.856 2.430 ( -0.000 -0.720 -0.000) 0.720 2.436 ( -0.000 -1.157 0.000) 1.157 2.441 ( 0.000 -10.937 0.000) 10.937 2.485 ( -0.000 -4.161 0.000) 4.161 2.542 ( -0.000 -1.029 -0.000) 1.029 2.572 ( -0.000 -1.521 0.000) 1.521 2.587 ( 0.000 -0.984 -0.000) 0.984 2.622 ( -0.000 5.235 0.000) 5.235 2.703 ( -0.000 0.564 -0.000) 0.564 2.752 ( -0.000 -2.454 0.000) 2.454 2.788 ( -0.000 3.294 -0.000) 3.294 2.823 ( 0.000 3.556 0.000) 3.556 2.866 ( -0.000 -1.634 0.000) 1.634 2.876 ( -0.000 3.355 0.000) 3.355 2.877 ( 0.000 -3.488 -0.000) 3.488 2.965 ( -0.000 1.747 0.000) 1.747 3.008 ( -0.000 -0.458 -0.000) 0.458 3.042 ( -0.000 0.495 -0.000) 0.495 3.101 ( 0.000 -1.010 0.000) 1.010 3.129 ( -0.000 0.987 -0.000) 0.987 3.232 ( -0.000 -2.508 -0.000) 2.508 3.314 ( -0.000 -0.114 0.000) 0.114 3.333 ( -0.000 0.838 0.000) 0.838 3.354 ( -0.000 -1.548 -0.000) 1.548 3.379 ( 0.000 2.207 0.000) 2.207 3.414 ( -0.000 -3.317 0.000) 3.317 3.525 ( -0.000 -0.187 0.000) 0.187 3.613 ( -0.000 -0.341 0.000) 0.341 3.649 ( -0.000 1.182 -0.000) 1.182 3.672 ( -0.000 3.709 0.000) 3.709 3.703 ( -0.000 0.092 -0.000) 0.092 3.775 ( -0.000 1.172 -0.000) 1.172 3.835 ( -0.000 2.094 0.000) 2.094 3.881 ( 0.000 0.029 0.000) 0.029 3.899 ( -0.000 1.226 -0.000) 1.226 3.910 ( -0.000 2.592 0.000) 2.592 3.994 ( 0.000 0.256 0.000) 0.256 4.000 ( -0.000 0.021 -0.000) 0.021 4.252 ( -0.000 0.936 -0.000) 0.936 4.322 ( -0.000 1.731 0.000) 1.731 4.356 ( -0.000 0.771 0.000) 0.771 4.402 ( -0.000 -0.144 -0.000) 0.144 4.520 ( -0.000 2.062 0.000) 2.062 4.532 ( -0.000 1.875 -0.000) 1.875 5.306 ( 0.000 0.800 -0.000) 0.800 ======================= Grid point 269 (117/117) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( -0.000 0.000 0.000) 0.000 0.671 ( -0.000 0.000 0.000) 0.000 0.710 ( 0.000 -0.000 -0.000) 0.000 0.808 ( 0.000 -0.000 -0.000) 0.000 0.885 ( 0.000 -0.000 -0.000) 0.000 0.925 ( -0.000 0.000 -0.000) 0.000 0.949 ( 0.000 -0.000 0.000) 0.000 1.068 ( -0.000 0.000 0.000) 0.000 1.074 ( 0.000 -0.000 -0.000) 0.000 1.077 ( 0.000 -0.000 -0.000) 0.001 1.181 ( 0.000 -0.000 0.000) 0.000 1.187 ( 0.000 -0.000 0.000) 0.000 1.258 ( 0.000 -0.000 0.000) 0.000 1.261 ( -0.000 0.000 -0.000) 0.000 1.303 ( -0.000 0.000 0.000) 0.000 1.328 ( 0.000 -0.000 -0.000) 0.000 1.357 ( 0.000 -0.000 0.000) 0.000 1.417 ( 0.000 -0.000 0.000) 0.000 1.442 ( 0.000 -0.000 -0.000) 0.000 1.452 ( 0.000 -0.000 -0.000) 0.000 1.496 ( 0.000 -0.000 0.000) 0.000 1.515 ( 0.000 -0.000 -0.000) 0.000 1.543 ( 0.000 -0.000 -0.000) 0.000 1.631 ( 0.000 -0.000 -0.000) 0.000 1.715 ( 0.000 -0.000 0.000) 0.000 1.755 ( 0.000 -0.000 0.000) 0.000 1.782 ( 0.000 -0.000 -0.000) 0.000 1.841 ( 0.000 -0.000 -0.000) 0.000 1.884 ( 0.000 -0.000 0.000) 0.000 1.905 ( 0.000 -0.000 0.000) 0.000 1.924 ( 0.000 -0.000 0.000) 0.000 2.005 ( -0.000 0.000 -0.000) 0.000 2.022 ( 0.000 -0.000 -0.000) 0.000 2.062 ( -0.000 0.000 0.000) 0.000 2.069 ( -0.000 0.000 -0.000) 0.000 2.122 ( -0.000 0.000 0.000) 0.000 2.140 ( 0.000 -0.000 -0.000) 0.000 2.165 ( 0.000 -0.000 -0.000) 0.000 2.219 ( 0.000 -0.000 -0.000) 0.000 2.220 ( 0.000 -0.000 0.000) 0.000 2.296 ( 0.000 -0.000 0.000) 0.000 2.301 ( 0.000 -0.000 0.000) 0.000 2.365 ( 0.000 -0.000 -0.000) 0.000 2.366 ( 0.000 -0.000 0.000) 0.000 2.436 ( 0.000 -0.000 0.000) 0.000 2.453 ( -0.000 0.000 -0.000) 0.000 2.488 ( -0.000 0.000 0.000) 0.000 2.503 ( 0.000 -0.000 0.000) 0.000 2.608 ( 0.000 -0.000 -0.000) 0.000 2.646 ( 0.000 -0.000 -0.000) 0.000 2.791 ( -0.000 0.000 0.000) 0.000 2.836 ( 0.000 -0.000 -0.000) 0.000 2.842 ( -0.000 0.000 0.000) 0.000 2.864 ( 0.000 -0.000 -0.000) 0.000 2.897 ( 0.000 -0.000 0.000) 0.000 2.931 ( 0.000 -0.000 0.000) 0.000 2.961 ( 0.000 -0.000 -0.000) 0.000 2.993 ( -0.000 0.000 0.000) 0.000 3.032 ( 0.000 -0.000 -0.000) 0.000 3.074 ( 0.000 -0.000 -0.000) 0.000 3.086 ( -0.000 0.000 -0.000) 0.000 3.100 ( 0.000 -0.000 -0.000) 0.000 3.158 ( 0.000 -0.000 0.000) 0.000 3.175 ( 0.000 -0.000 0.000) 0.000 3.367 ( 0.000 -0.000 -0.000) 0.000 3.370 ( -0.000 0.000 0.000) 0.000 3.373 ( -0.000 0.000 -0.000) 0.000 3.452 ( 0.000 -0.000 -0.000) 0.000 3.532 ( 0.000 -0.000 -0.000) 0.000 3.660 ( 0.000 -0.000 -0.000) 0.000 3.684 ( 0.000 -0.000 0.000) 0.000 3.710 ( 0.000 -0.000 -0.000) 0.000 3.789 ( 0.000 -0.000 0.000) 0.000 3.832 ( 0.000 -0.000 -0.000) 0.000 3.842 ( -0.000 0.000 -0.000) 0.000 3.849 ( 0.000 -0.000 0.000) 0.000 3.889 ( 0.000 -0.000 -0.000) 0.000 3.958 ( -0.000 0.000 -0.000) 0.000 4.033 ( 0.000 -0.000 0.000) 0.000 4.049 ( 0.000 -0.000 -0.000) 0.000 4.316 ( 0.000 -0.000 0.000) 0.000 4.345 ( 0.000 -0.000 0.000) 0.000 4.363 ( 0.000 -0.000 -0.000) 0.000 4.391 ( 0.000 -0.000 -0.000) 0.000 4.530 ( 0.000 -0.000 0.000) 0.000 4.552 ( 0.000 -0.000 -0.000) 0.000 5.329 ( -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 3/34800 10.0 118.130 77.975 50.873 -0.000 35.261 -0.000 3/34800 20.0 14.074 17.335 7.606 -0.000 3.536 -0.000 3/34800 30.0 5.950 8.554 3.490 -0.000 1.366 -0.000 3/34800 40.0 3.659 5.582 2.244 -0.000 0.794 -0.000 3/34800 50.0 2.642 4.154 1.667 -0.000 0.553 -0.000 3/34800 60.0 2.076 3.322 1.334 -0.000 0.423 -0.000 3/34800 70.0 1.716 2.777 1.117 -0.000 0.343 -0.000 3/34800 80.0 1.465 2.391 0.963 -0.000 0.289 -0.000 3/34800 90.0 1.281 2.102 0.847 -0.000 0.250 -0.000 3/34800 100.0 1.139 1.877 0.757 -0.000 0.221 -0.000 3/34800 110.0 1.026 1.697 0.685 -0.000 0.198 -0.000 3/34800 120.0 0.934 1.549 0.626 -0.000 0.179 -0.000 3/34800 130.0 0.858 1.425 0.576 -0.000 0.164 -0.000 3/34800 140.0 0.793 1.320 0.534 -0.000 0.151 -0.000 3/34800 150.0 0.738 1.230 0.497 -0.000 0.140 -0.000 3/34800 160.0 0.690 1.151 0.465 -0.000 0.131 -0.000 3/34800 170.0 0.648 1.082 0.438 -0.000 0.123 -0.000 3/34800 180.0 0.611 1.021 0.413 -0.000 0.115 -0.000 3/34800 190.0 0.578 0.966 0.391 -0.000 0.109 -0.000 3/34800 200.0 0.548 0.917 0.371 -0.000 0.103 -0.000 3/34800 210.0 0.521 0.873 0.353 -0.000 0.098 -0.000 3/34800 220.0 0.497 0.833 0.337 -0.000 0.094 -0.000 3/34800 230.0 0.475 0.797 0.322 -0.000 0.089 -0.000 3/34800 240.0 0.455 0.763 0.309 -0.000 0.086 -0.000 3/34800 250.0 0.436 0.732 0.296 -0.000 0.082 -0.000 3/34800 260.0 0.419 0.704 0.285 -0.000 0.079 -0.000 3/34800 270.0 0.404 0.678 0.274 -0.000 0.076 -0.000 3/34800 280.0 0.389 0.653 0.264 -0.000 0.073 -0.000 3/34800 290.0 0.375 0.631 0.255 -0.000 0.070 -0.000 3/34800 300.0 0.363 0.610 0.247 -0.000 0.068 -0.000 3/34800 310.0 0.351 0.590 0.239 -0.000 0.066 -0.000 3/34800 320.0 0.340 0.571 0.231 -0.000 0.064 -0.000 3/34800 330.0 0.330 0.554 0.224 -0.000 0.062 -0.000 3/34800 340.0 0.320 0.538 0.218 -0.000 0.060 -0.000 3/34800 350.0 0.311 0.522 0.211 -0.000 0.058 -0.000 3/34800 360.0 0.302 0.508 0.205 -0.000 0.056 -0.000 3/34800 370.0 0.294 0.494 0.200 -0.000 0.055 -0.000 3/34800 380.0 0.286 0.481 0.195 -0.000 0.053 -0.000 3/34800 390.0 0.278 0.469 0.190 -0.000 0.052 -0.000 3/34800 400.0 0.271 0.457 0.185 -0.000 0.051 -0.000 3/34800 410.0 0.265 0.446 0.180 -0.000 0.050 -0.000 3/34800 420.0 0.258 0.435 0.176 -0.000 0.048 -0.000 3/34800 430.0 0.252 0.425 0.172 -0.000 0.047 -0.000 3/34800 440.0 0.247 0.415 0.168 -0.000 0.046 -0.000 3/34800 450.0 0.241 0.406 0.164 -0.000 0.045 -0.000 3/34800 460.0 0.236 0.397 0.161 -0.000 0.044 -0.000 3/34800 470.0 0.231 0.389 0.157 -0.000 0.043 -0.000 3/34800 480.0 0.226 0.381 0.154 -0.000 0.042 -0.000 3/34800 490.0 0.221 0.373 0.151 -0.000 0.041 -0.000 3/34800 500.0 0.217 0.365 0.148 -0.000 0.041 -0.000 3/34800 510.0 0.213 0.358 0.145 -0.000 0.040 -0.000 3/34800 520.0 0.209 0.351 0.142 -0.000 0.039 -0.000 3/34800 530.0 0.205 0.345 0.139 -0.000 0.038 -0.000 3/34800 540.0 0.201 0.338 0.137 -0.000 0.037 -0.000 3/34800 550.0 0.197 0.332 0.134 -0.000 0.037 -0.000 3/34800 560.0 0.194 0.326 0.132 -0.000 0.036 -0.000 3/34800 570.0 0.190 0.321 0.130 -0.000 0.036 -0.000 3/34800 580.0 0.187 0.315 0.127 -0.000 0.035 -0.000 3/34800 590.0 0.184 0.310 0.125 -0.000 0.034 -0.000 3/34800 600.0 0.181 0.305 0.123 -0.000 0.034 -0.000 3/34800 610.0 0.178 0.300 0.121 -0.000 0.033 -0.000 3/34800 620.0 0.175 0.295 0.119 -0.000 0.033 -0.000 3/34800 630.0 0.172 0.290 0.117 -0.000 0.032 -0.000 3/34800 640.0 0.169 0.285 0.115 -0.000 0.032 -0.000 3/34800 650.0 0.167 0.281 0.114 -0.000 0.031 -0.000 3/34800 660.0 0.164 0.277 0.112 -0.000 0.031 -0.000 3/34800 670.0 0.162 0.273 0.110 -0.000 0.030 -0.000 3/34800 680.0 0.159 0.269 0.109 -0.000 0.030 -0.000 3/34800 690.0 0.157 0.265 0.107 -0.000 0.029 -0.000 3/34800 700.0 0.155 0.261 0.106 -0.000 0.029 -0.000 3/34800 710.0 0.153 0.257 0.104 -0.000 0.028 -0.000 3/34800 720.0 0.151 0.254 0.103 -0.000 0.028 -0.000 3/34800 730.0 0.148 0.250 0.101 -0.000 0.028 -0.000 3/34800 740.0 0.146 0.247 0.100 -0.000 0.027 -0.000 3/34800 750.0 0.144 0.244 0.099 -0.000 0.027 -0.000 3/34800 760.0 0.143 0.240 0.097 -0.000 0.027 -0.000 3/34800 770.0 0.141 0.237 0.096 -0.000 0.026 -0.000 3/34800 780.0 0.139 0.234 0.095 -0.000 0.026 -0.000 3/34800 790.0 0.137 0.231 0.094 -0.000 0.026 -0.000 3/34800 800.0 0.135 0.228 0.092 -0.000 0.025 -0.000 3/34800 810.0 0.134 0.226 0.091 -0.000 0.025 -0.000 3/34800 820.0 0.132 0.223 0.090 -0.000 0.025 -0.000 3/34800 830.0 0.131 0.220 0.089 -0.000 0.024 -0.000 3/34800 840.0 0.129 0.218 0.088 -0.000 0.024 -0.000 3/34800 850.0 0.127 0.215 0.087 -0.000 0.024 -0.000 3/34800 860.0 0.126 0.212 0.086 -0.000 0.023 -0.000 3/34800 870.0 0.125 0.210 0.085 -0.000 0.023 -0.000 3/34800 880.0 0.123 0.208 0.084 -0.000 0.023 -0.000 3/34800 890.0 0.122 0.205 0.083 -0.000 0.023 -0.000 3/34800 900.0 0.120 0.203 0.082 -0.000 0.022 -0.000 3/34800 910.0 0.119 0.201 0.081 -0.000 0.022 -0.000 3/34800 920.0 0.118 0.199 0.080 -0.000 0.022 -0.000 3/34800 930.0 0.117 0.196 0.079 -0.000 0.022 -0.000 3/34800 940.0 0.115 0.194 0.079 -0.000 0.021 -0.000 3/34800 950.0 0.114 0.192 0.078 -0.000 0.021 -0.000 3/34800 960.0 0.113 0.190 0.077 -0.000 0.021 -0.000 3/34800 970.0 0.112 0.188 0.076 -0.000 0.021 -0.000 3/34800 980.0 0.111 0.186 0.075 -0.000 0.021 -0.000 3/34800 990.0 0.109 0.185 0.075 -0.000 0.020 -0.000 3/34800 1000.0 0.108 0.183 0.074 -0.000 0.020 -0.000 3/34800 Thermal conductivity related properties were written into "kappa-m10104.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:58:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|