----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:29:48]------------------------- 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 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.886980860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 21.409348970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.024310440000001 Atomic positions (fractional): *1 Cs 0.41823227839087 0.49909933953954 0.15936019155869 132.905 2 Cs 0.58176772160913 0.50090066046046 0.84063980844131 132.905 3 Cs 0.08176772160913 0.99909933953954 0.15936019155869 132.905 4 Cs 0.91823227839087 0.49909933953954 0.34063980844131 132.905 5 Cs 0.91823227839087 0.00090066046046 0.84063980844131 132.905 6 Cs 0.58176772160913 0.99909933953954 0.34063980844131 132.905 7 Cs 0.08176772160913 0.50090066046046 0.65936019155869 132.905 8 Cs 0.41823227839087 0.00090066046046 0.65936019155869 132.905 *9 K 0.41572090038527 0.24864611716957 0.07809379575646 39.098 *10 K 0.90912068930554 0.32583040879127 0.67231491867801 39.098 11 K 0.09087931069446 0.67416959120873 0.32768508132199 39.098 *12 K 0.91256338264669 0.93367923996658 0.55802277901449 39.098 *13 K 0.40963831538332 0.64415624140251 0.69875104414177 39.098 14 K 0.91256338264669 0.56632076003342 0.05802277901449 39.098 15 K 0.41256338264669 0.93367923996658 0.94197722098551 39.098 16 K 0.09036168461668 0.35584375859749 0.19875104414177 39.098 17 K 0.58427909961473 0.75135388283043 0.92190620424354 39.098 18 K 0.90912068930554 0.17416959120873 0.17231491867801 39.098 19 K 0.59087931069446 0.67416959120873 0.17231491867801 39.098 20 K 0.40912068930554 0.32583040879127 0.82768508132199 39.098 21 K 0.41572090038527 0.25135388283043 0.57809379575646 39.098 22 K 0.08743661735331 0.06632076003342 0.44197722098551 39.098 23 K 0.59036168461668 0.14415624140251 0.80124895585823 39.098 24 K 0.09087931069446 0.82583040879127 0.82768508132199 39.098 25 K 0.40963831538332 0.85584375859749 0.19875104414177 39.098 26 K 0.08743661735331 0.43367923996658 0.94197722098551 39.098 27 K 0.08427909961473 0.75135388283043 0.57809379575646 39.098 28 K 0.58743661735331 0.43367923996658 0.55802277901449 39.098 29 K 0.90963831538332 0.85584375859749 0.30124895585823 39.098 30 K 0.09036168461668 0.14415624140251 0.69875104414177 39.098 31 K 0.40912068930554 0.17416959120873 0.32768508132199 39.098 32 K 0.58427909961473 0.74864611716957 0.42190620424354 39.098 33 K 0.59036168461668 0.35584375859749 0.30124895585823 39.098 34 K 0.08427909961473 0.74864611716957 0.07809379575646 39.098 35 K 0.91572090038527 0.25135388283043 0.92190620424354 39.098 36 K 0.91572090038527 0.24864611716957 0.42190620424354 39.098 37 K 0.90963831538332 0.64415624140251 0.80124895585823 39.098 38 K 0.58743661735331 0.06632076003342 0.05802277901449 39.098 39 K 0.59087931069446 0.82583040879127 0.67231491867801 39.098 40 K 0.41256338264669 0.56632076003342 0.44197722098551 39.098 *41 Tl 0.80977352000744 0.62681218150802 0.53732758237690 204.383 42 Tl 0.69022647999256 0.12681218150802 0.53732758237690 204.383 43 Tl 0.19022647999256 0.12681218150802 0.96267241762310 204.383 44 Tl 0.80977352000744 0.87318781849198 0.03732758237690 204.383 45 Tl 0.30977352000744 0.87318781849198 0.46267241762310 204.383 46 Tl 0.30977352000744 0.62681218150802 0.96267241762310 204.383 47 Tl 0.69022647999256 0.37318781849198 0.03732758237690 204.383 48 Tl 0.19022647999256 0.37318781849198 0.46267241762310 204.383 *49 O 0.33265967588307 0.45059618407732 0.37750063654103 15.999 *50 O 0.21814415513754 0.78803473830137 0.37346331969803 15.999 *51 O 0.71899900655657 0.86767733454625 0.86316518917671 15.999 *52 O 0.37477756072396 0.12357178642038 0.54383288016777 15.999 53 O 0.28100099344343 0.13232266545375 0.13683481082329 15.999 54 O 0.28185584486246 0.28803473830137 0.37346331969803 15.999 55 O 0.78185584486245 0.21196526169863 0.62653668030197 15.999 56 O 0.71814415513755 0.71196526169863 0.62653668030197 15.999 57 O 0.16734032411693 0.95059618407732 0.37750063654103 15.999 58 O 0.16734032411693 0.54940381592268 0.87750063654103 15.999 59 O 0.66734032411693 0.54940381592268 0.62249936345897 15.999 60 O 0.37477756072396 0.37642821357961 0.04383288016777 15.999 61 O 0.21814415513754 0.71196526169863 0.87346331969803 15.999 62 O 0.33265967588307 0.04940381592268 0.87750063654103 15.999 63 O 0.28100099344343 0.36767733454625 0.63683481082329 15.999 64 O 0.87477756072396 0.37642821357961 0.45616711983223 15.999 65 O 0.71899900655657 0.63232266545375 0.36316518917671 15.999 66 O 0.21899900655657 0.63232266545375 0.13683481082329 15.999 67 O 0.83265967588307 0.04940381592268 0.62249936345897 15.999 68 O 0.87477756072396 0.12357178642038 0.95616711983223 15.999 69 O 0.62522243927604 0.62357178642039 0.95616711983223 15.999 70 O 0.66734032411693 0.95059618407732 0.12249936345897 15.999 71 O 0.12522243927604 0.87642821357961 0.04383288016777 15.999 72 O 0.78100099344343 0.13232266545375 0.36316518917671 15.999 73 O 0.62522243927604 0.87642821357961 0.45616711983223 15.999 74 O 0.28185584486246 0.21196526169863 0.87346331969803 15.999 75 O 0.78100099344343 0.36767733454625 0.86316518917671 15.999 76 O 0.78185584486245 0.28803473830137 0.12653668030197 15.999 77 O 0.12522243927604 0.62357178642039 0.54383288016777 15.999 78 O 0.83265967588307 0.45059618407732 0.12249936345897 15.999 79 O 0.71814415513755 0.78803473830137 0.12653668030197 15.999 80 O 0.21899900655657 0.86767733454625 0.63683481082329 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.886980860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 21.409348970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.024310440000001 Atomic positions (fractional): *1 Cs 0.41823227839087 0.49909933953954 0.15936019155869 132.905 > 1 2 Cs 0.58176772160913 0.50090066046046 0.84063980844131 132.905 > 2 3 Cs 0.08176772160913 0.99909933953954 0.15936019155869 132.905 > 3 4 Cs 0.91823227839087 0.49909933953954 0.34063980844131 132.905 > 4 5 Cs 0.91823227839087 0.00090066046046 0.84063980844131 132.905 > 5 6 Cs 0.58176772160913 0.99909933953954 0.34063980844131 132.905 > 6 7 Cs 0.08176772160913 0.50090066046046 0.65936019155869 132.905 > 7 8 Cs 0.41823227839087 0.00090066046046 0.65936019155869 132.905 > 8 *9 K 0.41572090038527 0.24864611716957 0.07809379575646 39.098 > 9 *10 K 0.90912068930554 0.32583040879127 0.67231491867801 39.098 > 10 11 K 0.09087931069446 0.67416959120873 0.32768508132199 39.098 > 11 *12 K 0.91256338264669 0.93367923996658 0.55802277901449 39.098 > 12 *13 K 0.40963831538332 0.64415624140251 0.69875104414177 39.098 > 13 14 K 0.91256338264669 0.56632076003342 0.05802277901449 39.098 > 14 15 K 0.41256338264669 0.93367923996658 0.94197722098551 39.098 > 15 16 K 0.09036168461668 0.35584375859749 0.19875104414177 39.098 > 16 17 K 0.58427909961473 0.75135388283043 0.92190620424354 39.098 > 17 18 K 0.90912068930554 0.17416959120873 0.17231491867801 39.098 > 18 19 K 0.59087931069446 0.67416959120873 0.17231491867801 39.098 > 19 20 K 0.40912068930554 0.32583040879127 0.82768508132199 39.098 > 20 21 K 0.41572090038527 0.25135388283043 0.57809379575646 39.098 > 21 22 K 0.08743661735331 0.06632076003342 0.44197722098551 39.098 > 22 23 K 0.59036168461668 0.14415624140251 0.80124895585823 39.098 > 23 24 K 0.09087931069446 0.82583040879127 0.82768508132199 39.098 > 24 25 K 0.40963831538332 0.85584375859749 0.19875104414177 39.098 > 25 26 K 0.08743661735331 0.43367923996658 0.94197722098551 39.098 > 26 27 K 0.08427909961473 0.75135388283043 0.57809379575646 39.098 > 27 28 K 0.58743661735331 0.43367923996658 0.55802277901449 39.098 > 28 29 K 0.90963831538332 0.85584375859749 0.30124895585823 39.098 > 29 30 K 0.09036168461668 0.14415624140251 0.69875104414177 39.098 > 30 31 K 0.40912068930554 0.17416959120873 0.32768508132199 39.098 > 31 32 K 0.58427909961473 0.74864611716957 0.42190620424354 39.098 > 32 33 K 0.59036168461668 0.35584375859749 0.30124895585823 39.098 > 33 34 K 0.08427909961473 0.74864611716957 0.07809379575646 39.098 > 34 35 K 0.91572090038527 0.25135388283043 0.92190620424354 39.098 > 35 36 K 0.91572090038527 0.24864611716957 0.42190620424354 39.098 > 36 37 K 0.90963831538332 0.64415624140251 0.80124895585823 39.098 > 37 38 K 0.58743661735331 0.06632076003342 0.05802277901449 39.098 > 38 39 K 0.59087931069446 0.82583040879127 0.67231491867801 39.098 > 39 40 K 0.41256338264669 0.56632076003342 0.44197722098551 39.098 > 40 *41 Tl 0.80977352000744 0.62681218150802 0.53732758237690 204.383 > 41 42 Tl 0.69022647999256 0.12681218150802 0.53732758237690 204.383 > 42 43 Tl 0.19022647999256 0.12681218150802 0.96267241762310 204.383 > 43 44 Tl 0.80977352000744 0.87318781849198 0.03732758237690 204.383 > 44 45 Tl 0.30977352000744 0.87318781849198 0.46267241762310 204.383 > 45 46 Tl 0.30977352000744 0.62681218150802 0.96267241762310 204.383 > 46 47 Tl 0.69022647999256 0.37318781849198 0.03732758237690 204.383 > 47 48 Tl 0.19022647999256 0.37318781849198 0.46267241762310 204.383 > 48 *49 O 0.33265967588307 0.45059618407732 0.37750063654103 15.999 > 49 *50 O 0.21814415513754 0.78803473830137 0.37346331969803 15.999 > 50 *51 O 0.71899900655657 0.86767733454625 0.86316518917671 15.999 > 51 *52 O 0.37477756072396 0.12357178642038 0.54383288016777 15.999 > 52 53 O 0.28100099344343 0.13232266545375 0.13683481082329 15.999 > 53 54 O 0.28185584486246 0.28803473830137 0.37346331969803 15.999 > 54 55 O 0.78185584486245 0.21196526169863 0.62653668030197 15.999 > 55 56 O 0.71814415513755 0.71196526169863 0.62653668030197 15.999 > 56 57 O 0.16734032411693 0.95059618407732 0.37750063654103 15.999 > 57 58 O 0.16734032411693 0.54940381592268 0.87750063654103 15.999 > 58 59 O 0.66734032411693 0.54940381592268 0.62249936345897 15.999 > 59 60 O 0.37477756072396 0.37642821357961 0.04383288016777 15.999 > 60 61 O 0.21814415513754 0.71196526169863 0.87346331969803 15.999 > 61 62 O 0.33265967588307 0.04940381592268 0.87750063654103 15.999 > 62 63 O 0.28100099344343 0.36767733454625 0.63683481082329 15.999 > 63 64 O 0.87477756072396 0.37642821357961 0.45616711983223 15.999 > 64 65 O 0.71899900655657 0.63232266545375 0.36316518917671 15.999 > 65 66 O 0.21899900655657 0.63232266545375 0.13683481082329 15.999 > 66 67 O 0.83265967588307 0.04940381592268 0.62249936345897 15.999 > 67 68 O 0.87477756072396 0.12357178642038 0.95616711983223 15.999 > 68 69 O 0.62522243927604 0.62357178642039 0.95616711983223 15.999 > 69 70 O 0.66734032411693 0.95059618407732 0.12249936345897 15.999 > 70 71 O 0.12522243927604 0.87642821357961 0.04383288016777 15.999 > 71 72 O 0.78100099344343 0.13232266545375 0.36316518917671 15.999 > 72 73 O 0.62522243927604 0.87642821357961 0.45616711983223 15.999 > 73 74 O 0.28185584486246 0.21196526169863 0.87346331969803 15.999 > 74 75 O 0.78100099344343 0.36767733454625 0.86316518917671 15.999 > 75 76 O 0.78185584486245 0.28803473830137 0.12653668030197 15.999 > 76 77 O 0.12522243927604 0.62357178642039 0.54383288016777 15.999 > 77 78 O 0.83265967588307 0.45059618407732 0.12249936345897 15.999 > 78 79 O 0.71814415513755 0.78803473830137 0.12653668030197 15.999 > 79 80 O 0.21899900655657 0.86767733454625 0.63683481082329 15.999 > 80 -------------------------------- super cell -------------------------------- Lattice vectors: a 6.886980860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 21.409348970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.024310440000001 Atomic positions (fractional): *1 Cs 0.41823227839087 0.49909933953954 0.15936019155869 132.905 > 1 2 Cs 0.58176772160913 0.50090066046046 0.84063980844131 132.905 > 2 3 Cs 0.08176772160913 0.99909933953954 0.15936019155869 132.905 > 3 4 Cs 0.91823227839087 0.49909933953954 0.34063980844131 132.905 > 4 5 Cs 0.91823227839087 0.00090066046046 0.84063980844131 132.905 > 5 6 Cs 0.58176772160913 0.99909933953954 0.34063980844131 132.905 > 6 7 Cs 0.08176772160913 0.50090066046046 0.65936019155869 132.905 > 7 8 Cs 0.41823227839087 0.00090066046046 0.65936019155869 132.905 > 8 *9 K 0.41572090038527 0.24864611716957 0.07809379575646 39.098 > 9 *10 K 0.90912068930554 0.32583040879127 0.67231491867801 39.098 > 10 11 K 0.09087931069446 0.67416959120873 0.32768508132199 39.098 > 11 *12 K 0.91256338264669 0.93367923996658 0.55802277901449 39.098 > 12 *13 K 0.40963831538332 0.64415624140251 0.69875104414177 39.098 > 13 14 K 0.91256338264669 0.56632076003342 0.05802277901449 39.098 > 14 15 K 0.41256338264669 0.93367923996658 0.94197722098551 39.098 > 15 16 K 0.09036168461668 0.35584375859749 0.19875104414177 39.098 > 16 17 K 0.58427909961473 0.75135388283043 0.92190620424354 39.098 > 17 18 K 0.90912068930554 0.17416959120873 0.17231491867801 39.098 > 18 19 K 0.59087931069446 0.67416959120873 0.17231491867801 39.098 > 19 20 K 0.40912068930554 0.32583040879127 0.82768508132199 39.098 > 20 21 K 0.41572090038527 0.25135388283043 0.57809379575646 39.098 > 21 22 K 0.08743661735331 0.06632076003342 0.44197722098551 39.098 > 22 23 K 0.59036168461668 0.14415624140251 0.80124895585823 39.098 > 23 24 K 0.09087931069446 0.82583040879127 0.82768508132199 39.098 > 24 25 K 0.40963831538332 0.85584375859749 0.19875104414177 39.098 > 25 26 K 0.08743661735331 0.43367923996658 0.94197722098551 39.098 > 26 27 K 0.08427909961473 0.75135388283043 0.57809379575646 39.098 > 27 28 K 0.58743661735331 0.43367923996658 0.55802277901449 39.098 > 28 29 K 0.90963831538332 0.85584375859749 0.30124895585823 39.098 > 29 30 K 0.09036168461668 0.14415624140251 0.69875104414177 39.098 > 30 31 K 0.40912068930554 0.17416959120873 0.32768508132199 39.098 > 31 32 K 0.58427909961473 0.74864611716957 0.42190620424354 39.098 > 32 33 K 0.59036168461668 0.35584375859749 0.30124895585823 39.098 > 33 34 K 0.08427909961473 0.74864611716957 0.07809379575646 39.098 > 34 35 K 0.91572090038527 0.25135388283043 0.92190620424354 39.098 > 35 36 K 0.91572090038527 0.24864611716957 0.42190620424354 39.098 > 36 37 K 0.90963831538332 0.64415624140251 0.80124895585823 39.098 > 37 38 K 0.58743661735331 0.06632076003342 0.05802277901449 39.098 > 38 39 K 0.59087931069446 0.82583040879127 0.67231491867801 39.098 > 39 40 K 0.41256338264669 0.56632076003342 0.44197722098551 39.098 > 40 *41 Tl 0.80977352000744 0.62681218150802 0.53732758237690 204.383 > 41 42 Tl 0.69022647999256 0.12681218150802 0.53732758237690 204.383 > 42 43 Tl 0.19022647999256 0.12681218150802 0.96267241762310 204.383 > 43 44 Tl 0.80977352000744 0.87318781849198 0.03732758237690 204.383 > 44 45 Tl 0.30977352000744 0.87318781849198 0.46267241762310 204.383 > 45 46 Tl 0.30977352000744 0.62681218150802 0.96267241762310 204.383 > 46 47 Tl 0.69022647999256 0.37318781849198 0.03732758237690 204.383 > 47 48 Tl 0.19022647999256 0.37318781849198 0.46267241762310 204.383 > 48 *49 O 0.33265967588307 0.45059618407732 0.37750063654103 15.999 > 49 *50 O 0.21814415513754 0.78803473830137 0.37346331969803 15.999 > 50 *51 O 0.71899900655657 0.86767733454625 0.86316518917671 15.999 > 51 *52 O 0.37477756072396 0.12357178642038 0.54383288016777 15.999 > 52 53 O 0.28100099344343 0.13232266545375 0.13683481082329 15.999 > 53 54 O 0.28185584486246 0.28803473830137 0.37346331969803 15.999 > 54 55 O 0.78185584486245 0.21196526169863 0.62653668030197 15.999 > 55 56 O 0.71814415513755 0.71196526169863 0.62653668030197 15.999 > 56 57 O 0.16734032411693 0.95059618407732 0.37750063654103 15.999 > 57 58 O 0.16734032411693 0.54940381592268 0.87750063654103 15.999 > 58 59 O 0.66734032411693 0.54940381592268 0.62249936345897 15.999 > 59 60 O 0.37477756072396 0.37642821357961 0.04383288016777 15.999 > 60 61 O 0.21814415513754 0.71196526169863 0.87346331969803 15.999 > 61 62 O 0.33265967588307 0.04940381592268 0.87750063654103 15.999 > 62 63 O 0.28100099344343 0.36767733454625 0.63683481082329 15.999 > 63 64 O 0.87477756072396 0.37642821357961 0.45616711983223 15.999 > 64 65 O 0.71899900655657 0.63232266545375 0.36316518917671 15.999 > 65 66 O 0.21899900655657 0.63232266545375 0.13683481082329 15.999 > 66 67 O 0.83265967588307 0.04940381592268 0.62249936345897 15.999 > 67 68 O 0.87477756072396 0.12357178642038 0.95616711983223 15.999 > 68 69 O 0.62522243927604 0.62357178642039 0.95616711983223 15.999 > 69 70 O 0.66734032411693 0.95059618407732 0.12249936345897 15.999 > 70 71 O 0.12522243927604 0.87642821357961 0.04383288016777 15.999 > 71 72 O 0.78100099344343 0.13232266545375 0.36316518917671 15.999 > 72 73 O 0.62522243927604 0.87642821357961 0.45616711983223 15.999 > 73 74 O 0.28185584486246 0.21196526169863 0.87346331969803 15.999 > 74 75 O 0.78100099344343 0.36767733454625 0.86316518917671 15.999 > 75 76 O 0.78185584486245 0.28803473830137 0.12653668030197 15.999 > 76 77 O 0.12522243927604 0.62357178642039 0.54383288016777 15.999 > 77 78 O 0.83265967588307 0.45059618407732 0.12249936345897 15.999 > 78 79 O 0.71814415513755 0.78803473830137 0.12653668030197 15.999 > 79 80 O 0.21899900655657 0.86767733454625 0.63683481082329 15.999 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5295317 0.0000000 0.0000000 0.0000000 3.5353949 0.0000000 0.0000000 0.0000000 3.5993001 -------------------------- Born effective charges -------------------------- 1 Cs 1.1021897 -0.2125279 -0.1839319 -0.1490438 1.3818077 -0.1471184 -0.1002213 -0.0949077 1.3063416 2 Cs 1.1021897 -0.2125279 -0.1839319 -0.1490438 1.3818077 -0.1471184 -0.1002213 -0.0949077 1.3063416 3 Cs 1.1021897 0.2125279 0.1839319 0.1490438 1.3818077 -0.1471184 0.1002213 -0.0949077 1.3063416 4 Cs 1.1021897 -0.2125279 0.1839319 -0.1490438 1.3818077 0.1471184 0.1002213 0.0949077 1.3063416 5 Cs 1.1021897 0.2125279 0.1839319 0.1490438 1.3818077 -0.1471184 0.1002213 -0.0949077 1.3063416 6 Cs 1.1021897 0.2125279 -0.1839319 0.1490438 1.3818077 0.1471184 -0.1002213 0.0949077 1.3063416 7 Cs 1.1021897 -0.2125279 0.1839319 -0.1490438 1.3818077 0.1471184 0.1002213 0.0949077 1.3063416 8 Cs 1.1021897 0.2125279 -0.1839319 0.1490438 1.3818077 0.1471184 -0.1002213 0.0949077 1.3063416 9 K 1.0416130 0.2573583 0.0412780 0.2280548 1.3457521 0.2193961 0.0472142 0.1155176 0.9749019 10 K 1.0120890 0.1080061 -0.1794006 0.1406252 1.1916330 -0.0293766 -0.1202706 0.0243761 1.2608283 11 K 1.0120890 0.1080061 -0.1794006 0.1406252 1.1916330 -0.0293766 -0.1202706 0.0243761 1.2608283 12 K 1.3014110 -0.0484250 0.0366892 -0.0889499 1.0766444 0.1555343 -0.0660677 0.0701997 0.9700290 13 K 1.2681585 0.0195014 -0.0201804 0.0035351 0.8241555 -0.0022504 -0.1402525 0.0326783 1.1577025 14 K 1.3014110 0.0484250 0.0366892 0.0889499 1.0766444 -0.1555343 -0.0660677 -0.0701997 0.9700290 15 K 1.3014110 -0.0484250 -0.0366892 -0.0889499 1.0766444 -0.1555343 0.0660677 -0.0701997 0.9700290 16 K 1.2681585 0.0195014 0.0201804 0.0035351 0.8241555 0.0022504 0.1402525 -0.0326783 1.1577025 17 K 1.0416130 0.2573583 0.0412780 0.2280548 1.3457521 0.2193961 0.0472142 0.1155176 0.9749019 18 K 1.0120890 -0.1080061 -0.1794006 -0.1406252 1.1916330 0.0293766 -0.1202706 -0.0243761 1.2608283 19 K 1.0120890 0.1080061 0.1794006 0.1406252 1.1916330 0.0293766 0.1202706 -0.0243761 1.2608283 20 K 1.0120890 0.1080061 0.1794006 0.1406252 1.1916330 0.0293766 0.1202706 -0.0243761 1.2608283 21 K 1.0416130 -0.2573583 0.0412780 -0.2280548 1.3457521 -0.2193961 0.0472142 -0.1155176 0.9749019 22 K 1.3014110 -0.0484250 0.0366892 -0.0889499 1.0766444 0.1555343 -0.0660677 0.0701997 0.9700290 23 K 1.2681585 -0.0195014 -0.0201804 -0.0035351 0.8241555 0.0022504 -0.1402525 -0.0326783 1.1577025 24 K 1.0120890 -0.1080061 -0.1794006 -0.1406252 1.1916330 0.0293766 -0.1202706 -0.0243761 1.2608283 25 K 1.2681585 -0.0195014 -0.0201804 -0.0035351 0.8241555 0.0022504 -0.1402525 -0.0326783 1.1577025 26 K 1.3014110 0.0484250 0.0366892 0.0889499 1.0766444 -0.1555343 -0.0660677 -0.0701997 0.9700290 27 K 1.0416130 0.2573583 -0.0412780 0.2280548 1.3457521 -0.2193961 -0.0472142 -0.1155176 0.9749019 28 K 1.3014110 0.0484250 -0.0366892 0.0889499 1.0766444 0.1555343 0.0660677 0.0701997 0.9700290 29 K 1.2681585 -0.0195014 0.0201804 -0.0035351 0.8241555 -0.0022504 0.1402525 0.0326783 1.1577025 30 K 1.2681585 -0.0195014 0.0201804 -0.0035351 0.8241555 -0.0022504 0.1402525 0.0326783 1.1577025 31 K 1.0120890 -0.1080061 0.1794006 -0.1406252 1.1916330 -0.0293766 0.1202706 0.0243761 1.2608283 32 K 1.0416130 -0.2573583 0.0412780 -0.2280548 1.3457521 -0.2193961 0.0472142 -0.1155176 0.9749019 33 K 1.2681585 0.0195014 -0.0201804 0.0035351 0.8241555 -0.0022504 -0.1402525 0.0326783 1.1577025 34 K 1.0416130 -0.2573583 -0.0412780 -0.2280548 1.3457521 0.2193961 -0.0472142 0.1155176 0.9749019 35 K 1.0416130 -0.2573583 -0.0412780 -0.2280548 1.3457521 0.2193961 -0.0472142 0.1155176 0.9749019 36 K 1.0416130 0.2573583 -0.0412780 0.2280548 1.3457521 -0.2193961 -0.0472142 -0.1155176 0.9749019 37 K 1.2681585 0.0195014 0.0201804 0.0035351 0.8241555 0.0022504 0.1402525 -0.0326783 1.1577025 38 K 1.3014110 -0.0484250 -0.0366892 -0.0889499 1.0766444 -0.1555343 0.0660677 -0.0701997 0.9700290 39 K 1.0120890 -0.1080061 0.1794006 -0.1406252 1.1916330 -0.0293766 0.1202706 0.0243761 1.2608283 40 K 1.3014110 0.0484250 -0.0366892 0.0889499 1.0766444 0.1555343 0.0660677 0.0701997 0.9700290 41 Tl 2.4329660 -0.0377383 -0.0161691 -0.0315923 2.4099018 -0.0138333 -0.0495931 -0.0758130 2.4389934 42 Tl 2.4329660 0.0377383 0.0161691 0.0315923 2.4099018 -0.0138333 0.0495931 -0.0758130 2.4389934 43 Tl 2.4329660 0.0377383 -0.0161691 0.0315923 2.4099018 0.0138333 -0.0495931 0.0758130 2.4389934 44 Tl 2.4329660 0.0377383 -0.0161691 0.0315923 2.4099018 0.0138333 -0.0495931 0.0758130 2.4389934 45 Tl 2.4329660 0.0377383 0.0161691 0.0315923 2.4099018 -0.0138333 0.0495931 -0.0758130 2.4389934 46 Tl 2.4329660 -0.0377383 0.0161691 -0.0315923 2.4099018 0.0138333 0.0495931 0.0758130 2.4389934 47 Tl 2.4329660 -0.0377383 0.0161691 -0.0315923 2.4099018 0.0138333 0.0495931 0.0758130 2.4389934 48 Tl 2.4329660 -0.0377383 -0.0161691 -0.0315923 2.4099018 -0.0138333 -0.0495931 -0.0758130 2.4389934 49 O -2.0138125 -0.2267960 0.1845623 -0.3291464 -2.1779997 0.4295125 0.2606543 0.4511065 -2.0448256 50 O -1.7562706 -0.2678270 -0.1106705 -0.2313841 -2.3616029 -0.2341145 -0.1922374 -0.3171519 -1.8246987 51 O -1.7654685 -0.0818779 -0.2080746 -0.0361764 -1.8916189 -0.0522292 -0.2720803 -0.1389758 -2.6051762 52 O -2.6228756 -0.0728025 0.0415409 -0.1332116 -1.7986730 0.1323534 0.0920629 0.1354102 -1.6340962 53 O -1.7654685 -0.0818779 -0.2080746 -0.0361764 -1.8916189 -0.0522292 -0.2720803 -0.1389758 -2.6051762 54 O -1.7562706 0.2678270 0.1106705 0.2313841 -2.3616029 -0.2341145 0.1922374 -0.3171519 -1.8246987 55 O -1.7562706 -0.2678270 -0.1106705 -0.2313841 -2.3616029 -0.2341145 -0.1922374 -0.3171519 -1.8246987 56 O -1.7562706 0.2678270 0.1106705 0.2313841 -2.3616029 -0.2341145 0.1922374 -0.3171519 -1.8246987 57 O -2.0138125 0.2267960 -0.1845623 0.3291464 -2.1779997 0.4295125 -0.2606543 0.4511065 -2.0448256 58 O -2.0138125 -0.2267960 -0.1845623 -0.3291464 -2.1779997 -0.4295125 -0.2606543 -0.4511065 -2.0448256 59 O -2.0138125 -0.2267960 0.1845623 -0.3291464 -2.1779997 0.4295125 0.2606543 0.4511065 -2.0448256 60 O -2.6228756 0.0728025 0.0415409 0.1332116 -1.7986730 -0.1323534 0.0920629 -0.1354102 -1.6340962 61 O -1.7562706 0.2678270 -0.1106705 0.2313841 -2.3616029 0.2341145 -0.1922374 0.3171519 -1.8246987 62 O -2.0138125 0.2267960 0.1845623 0.3291464 -2.1779997 -0.4295125 0.2606543 -0.4511065 -2.0448256 63 O -1.7654685 0.0818779 -0.2080746 0.0361764 -1.8916189 0.0522292 -0.2720803 0.1389758 -2.6051762 64 O -2.6228756 0.0728025 -0.0415409 0.1332116 -1.7986730 0.1323534 -0.0920629 0.1354102 -1.6340962 65 O -1.7654685 0.0818779 -0.2080746 0.0361764 -1.8916189 0.0522292 -0.2720803 0.1389758 -2.6051762 66 O -1.7654685 0.0818779 0.2080746 0.0361764 -1.8916189 -0.0522292 0.2720803 -0.1389758 -2.6051762 67 O -2.0138125 0.2267960 -0.1845623 0.3291464 -2.1779997 0.4295125 -0.2606543 0.4511065 -2.0448256 68 O -2.6228756 -0.0728025 -0.0415409 -0.1332116 -1.7986730 -0.1323534 -0.0920629 -0.1354102 -1.6340962 69 O -2.6228756 0.0728025 0.0415409 0.1332116 -1.7986730 -0.1323534 0.0920629 -0.1354102 -1.6340962 70 O -2.0138125 0.2267960 0.1845623 0.3291464 -2.1779997 -0.4295125 0.2606543 -0.4511065 -2.0448256 71 O -2.6228756 -0.0728025 -0.0415409 -0.1332116 -1.7986730 -0.1323534 -0.0920629 -0.1354102 -1.6340962 72 O -1.7654685 -0.0818779 0.2080746 -0.0361764 -1.8916189 0.0522292 0.2720803 0.1389758 -2.6051762 73 O -2.6228756 -0.0728025 0.0415409 -0.1332116 -1.7986730 0.1323534 0.0920629 0.1354102 -1.6340962 74 O -1.7562706 -0.2678270 0.1106705 -0.2313841 -2.3616029 0.2341145 0.1922374 0.3171519 -1.8246987 75 O -1.7654685 0.0818779 0.2080746 0.0361764 -1.8916189 -0.0522292 0.2720803 -0.1389758 -2.6051762 76 O -1.7562706 0.2678270 -0.1106705 0.2313841 -2.3616029 0.2341145 -0.1922374 0.3171519 -1.8246987 77 O -2.6228756 0.0728025 -0.0415409 0.1332116 -1.7986730 0.1323534 -0.0920629 0.1354102 -1.6340962 78 O -2.0138125 -0.2267960 -0.1845623 -0.3291464 -2.1779997 -0.4295125 -0.2606543 -0.4511065 -2.0448256 79 O -1.7562706 -0.2678270 0.1106705 -0.2313841 -2.3616029 0.2341145 0.1922374 0.3171519 -1.8246987 80 O -1.7654685 -0.0818779 0.2080746 -0.0361764 -1.8916189 0.0522292 0.2720803 0.1389758 -2.6051762 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 28680/28680 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 282 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 39 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 282 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 284 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3630), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 780), data: False |-- (800, 16), data: (800, 36) @ (36, 16) |-- (300, 284), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 18), data: (800, 38) @ (38, 18) |-- (300, 282), data: True |-- (500, 480), data: False |-- (500, 19), data: (500, 39) @ (39, 19) |-- (250, 231), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 18), data: (800, 38) @ (38, 18) |-- (300, 282), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 0.754 Solver_block: 200 / 1200 - Time: 0.639 Solver_block: 300 / 1200 - Time: 0.652 Solver_block: 400 / 1200 - Time: 0.636 Solver_block: 500 / 1200 - Time: 0.870 Solver_block: 600 / 1200 - Time: 0.665 Solver_block: 700 / 1200 - Time: 0.703 Solver_block: 800 / 1200 - Time: 0.694 Solver_block: 900 / 1200 - Time: 0.618 Solver_block: 1000 / 1200 - Time: 0.650 Solver_block: 1100 / 1200 - Time: 0.629 Solver_block: 1200 / 1200 - Time: 0.661 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.555 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 28680/28680 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 282 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 39 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 282 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 284 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3630), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 780), data: False |-- (800, 16), data: (800, 36) @ (36, 16) |-- (300, 284), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 18), data: (800, 38) @ (38, 18) |-- (300, 282), data: True |-- (500, 480), data: False |-- (500, 19), data: (500, 39) @ (39, 19) |-- (250, 231), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 18), data: (800, 38) @ (38, 18) |-- (300, 282), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 17:30:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:30:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.886980860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 21.409348970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.024310440000001 Atomic positions (fractional): 1 Cs 0.41823227839087 0.49909933953954 0.15936019155869 132.905 2 Cs 0.58176772160913 0.50090066046046 0.84063980844131 132.905 3 Cs 0.08176772160913 0.99909933953954 0.15936019155869 132.905 4 Cs 0.91823227839087 0.49909933953954 0.34063980844131 132.905 5 Cs 0.91823227839087 0.00090066046046 0.84063980844131 132.905 6 Cs 0.58176772160913 0.99909933953954 0.34063980844131 132.905 7 Cs 0.08176772160913 0.50090066046046 0.65936019155869 132.905 8 Cs 0.41823227839087 0.00090066046046 0.65936019155869 132.905 9 K 0.41572090038527 0.24864611716957 0.07809379575646 39.098 10 K 0.90912068930554 0.32583040879127 0.67231491867801 39.098 11 K 0.09087931069446 0.67416959120873 0.32768508132199 39.098 12 K 0.91256338264669 0.93367923996658 0.55802277901449 39.098 13 K 0.40963831538332 0.64415624140251 0.69875104414177 39.098 14 K 0.91256338264669 0.56632076003342 0.05802277901449 39.098 15 K 0.41256338264669 0.93367923996658 0.94197722098551 39.098 16 K 0.09036168461668 0.35584375859749 0.19875104414177 39.098 17 K 0.58427909961473 0.75135388283043 0.92190620424354 39.098 18 K 0.90912068930554 0.17416959120873 0.17231491867801 39.098 19 K 0.59087931069446 0.67416959120873 0.17231491867801 39.098 20 K 0.40912068930554 0.32583040879127 0.82768508132199 39.098 21 K 0.41572090038527 0.25135388283043 0.57809379575646 39.098 22 K 0.08743661735331 0.06632076003342 0.44197722098551 39.098 23 K 0.59036168461668 0.14415624140251 0.80124895585823 39.098 24 K 0.09087931069446 0.82583040879127 0.82768508132199 39.098 25 K 0.40963831538332 0.85584375859749 0.19875104414177 39.098 26 K 0.08743661735331 0.43367923996658 0.94197722098551 39.098 27 K 0.08427909961473 0.75135388283043 0.57809379575646 39.098 28 K 0.58743661735331 0.43367923996658 0.55802277901449 39.098 29 K 0.90963831538332 0.85584375859749 0.30124895585823 39.098 30 K 0.09036168461668 0.14415624140251 0.69875104414177 39.098 31 K 0.40912068930554 0.17416959120873 0.32768508132199 39.098 32 K 0.58427909961473 0.74864611716957 0.42190620424354 39.098 33 K 0.59036168461668 0.35584375859749 0.30124895585823 39.098 34 K 0.08427909961473 0.74864611716957 0.07809379575646 39.098 35 K 0.91572090038527 0.25135388283043 0.92190620424354 39.098 36 K 0.91572090038527 0.24864611716957 0.42190620424354 39.098 37 K 0.90963831538332 0.64415624140251 0.80124895585823 39.098 38 K 0.58743661735331 0.06632076003342 0.05802277901449 39.098 39 K 0.59087931069446 0.82583040879127 0.67231491867801 39.098 40 K 0.41256338264669 0.56632076003342 0.44197722098551 39.098 41 Tl 0.80977352000744 0.62681218150802 0.53732758237690 204.383 42 Tl 0.69022647999256 0.12681218150802 0.53732758237690 204.383 43 Tl 0.19022647999256 0.12681218150802 0.96267241762310 204.383 44 Tl 0.80977352000744 0.87318781849198 0.03732758237690 204.383 45 Tl 0.30977352000744 0.87318781849198 0.46267241762310 204.383 46 Tl 0.30977352000744 0.62681218150802 0.96267241762310 204.383 47 Tl 0.69022647999256 0.37318781849198 0.03732758237690 204.383 48 Tl 0.19022647999256 0.37318781849198 0.46267241762310 204.383 49 O 0.33265967588307 0.45059618407732 0.37750063654103 15.999 50 O 0.21814415513754 0.78803473830137 0.37346331969803 15.999 51 O 0.71899900655657 0.86767733454625 0.86316518917671 15.999 52 O 0.37477756072396 0.12357178642038 0.54383288016777 15.999 53 O 0.28100099344343 0.13232266545375 0.13683481082329 15.999 54 O 0.28185584486246 0.28803473830137 0.37346331969803 15.999 55 O 0.78185584486245 0.21196526169863 0.62653668030197 15.999 56 O 0.71814415513755 0.71196526169863 0.62653668030197 15.999 57 O 0.16734032411693 0.95059618407732 0.37750063654103 15.999 58 O 0.16734032411693 0.54940381592268 0.87750063654103 15.999 59 O 0.66734032411693 0.54940381592268 0.62249936345897 15.999 60 O 0.37477756072396 0.37642821357961 0.04383288016777 15.999 61 O 0.21814415513754 0.71196526169863 0.87346331969803 15.999 62 O 0.33265967588307 0.04940381592268 0.87750063654103 15.999 63 O 0.28100099344343 0.36767733454625 0.63683481082329 15.999 64 O 0.87477756072396 0.37642821357961 0.45616711983223 15.999 65 O 0.71899900655657 0.63232266545375 0.36316518917671 15.999 66 O 0.21899900655657 0.63232266545375 0.13683481082329 15.999 67 O 0.83265967588307 0.04940381592268 0.62249936345897 15.999 68 O 0.87477756072396 0.12357178642038 0.95616711983223 15.999 69 O 0.62522243927604 0.62357178642039 0.95616711983223 15.999 70 O 0.66734032411693 0.95059618407732 0.12249936345897 15.999 71 O 0.12522243927604 0.87642821357961 0.04383288016777 15.999 72 O 0.78100099344343 0.13232266545375 0.36316518917671 15.999 73 O 0.62522243927604 0.87642821357961 0.45616711983223 15.999 74 O 0.28185584486246 0.21196526169863 0.87346331969803 15.999 75 O 0.78100099344343 0.36767733454625 0.86316518917671 15.999 76 O 0.78185584486245 0.28803473830137 0.12653668030197 15.999 77 O 0.12522243927604 0.62357178642039 0.54383288016777 15.999 78 O 0.83265967588307 0.45059618407732 0.12249936345897 15.999 79 O 0.71814415513755 0.78803473830137 0.12653668030197 15.999 80 O 0.21899900655657 0.86767733454625 0.63683481082329 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.886980860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 21.409348970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.024310440000001 Atomic positions (fractional): 1 Cs 0.41823227839087 0.49909933953954 0.15936019155869 132.905 > 1 2 Cs 0.58176772160913 0.50090066046046 0.84063980844131 132.905 > 2 3 Cs 0.08176772160913 0.99909933953954 0.15936019155869 132.905 > 3 4 Cs 0.91823227839087 0.49909933953954 0.34063980844131 132.905 > 4 5 Cs 0.91823227839087 0.00090066046046 0.84063980844131 132.905 > 5 6 Cs 0.58176772160913 0.99909933953954 0.34063980844131 132.905 > 6 7 Cs 0.08176772160913 0.50090066046046 0.65936019155869 132.905 > 7 8 Cs 0.41823227839087 0.00090066046046 0.65936019155869 132.905 > 8 9 K 0.41572090038527 0.24864611716957 0.07809379575646 39.098 > 9 10 K 0.90912068930554 0.32583040879127 0.67231491867801 39.098 > 10 11 K 0.09087931069446 0.67416959120873 0.32768508132199 39.098 > 11 12 K 0.91256338264669 0.93367923996658 0.55802277901449 39.098 > 12 13 K 0.40963831538332 0.64415624140251 0.69875104414177 39.098 > 13 14 K 0.91256338264669 0.56632076003342 0.05802277901449 39.098 > 14 15 K 0.41256338264669 0.93367923996658 0.94197722098551 39.098 > 15 16 K 0.09036168461668 0.35584375859749 0.19875104414177 39.098 > 16 17 K 0.58427909961473 0.75135388283043 0.92190620424354 39.098 > 17 18 K 0.90912068930554 0.17416959120873 0.17231491867801 39.098 > 18 19 K 0.59087931069446 0.67416959120873 0.17231491867801 39.098 > 19 20 K 0.40912068930554 0.32583040879127 0.82768508132199 39.098 > 20 21 K 0.41572090038527 0.25135388283043 0.57809379575646 39.098 > 21 22 K 0.08743661735331 0.06632076003342 0.44197722098551 39.098 > 22 23 K 0.59036168461668 0.14415624140251 0.80124895585823 39.098 > 23 24 K 0.09087931069446 0.82583040879127 0.82768508132199 39.098 > 24 25 K 0.40963831538332 0.85584375859749 0.19875104414177 39.098 > 25 26 K 0.08743661735331 0.43367923996658 0.94197722098551 39.098 > 26 27 K 0.08427909961473 0.75135388283043 0.57809379575646 39.098 > 27 28 K 0.58743661735331 0.43367923996658 0.55802277901449 39.098 > 28 29 K 0.90963831538332 0.85584375859749 0.30124895585823 39.098 > 29 30 K 0.09036168461668 0.14415624140251 0.69875104414177 39.098 > 30 31 K 0.40912068930554 0.17416959120873 0.32768508132199 39.098 > 31 32 K 0.58427909961473 0.74864611716957 0.42190620424354 39.098 > 32 33 K 0.59036168461668 0.35584375859749 0.30124895585823 39.098 > 33 34 K 0.08427909961473 0.74864611716957 0.07809379575646 39.098 > 34 35 K 0.91572090038527 0.25135388283043 0.92190620424354 39.098 > 35 36 K 0.91572090038527 0.24864611716957 0.42190620424354 39.098 > 36 37 K 0.90963831538332 0.64415624140251 0.80124895585823 39.098 > 37 38 K 0.58743661735331 0.06632076003342 0.05802277901449 39.098 > 38 39 K 0.59087931069446 0.82583040879127 0.67231491867801 39.098 > 39 40 K 0.41256338264669 0.56632076003342 0.44197722098551 39.098 > 40 41 Tl 0.80977352000744 0.62681218150802 0.53732758237690 204.383 > 41 42 Tl 0.69022647999256 0.12681218150802 0.53732758237690 204.383 > 42 43 Tl 0.19022647999256 0.12681218150802 0.96267241762310 204.383 > 43 44 Tl 0.80977352000744 0.87318781849198 0.03732758237690 204.383 > 44 45 Tl 0.30977352000744 0.87318781849198 0.46267241762310 204.383 > 45 46 Tl 0.30977352000744 0.62681218150802 0.96267241762310 204.383 > 46 47 Tl 0.69022647999256 0.37318781849198 0.03732758237690 204.383 > 47 48 Tl 0.19022647999256 0.37318781849198 0.46267241762310 204.383 > 48 49 O 0.33265967588307 0.45059618407732 0.37750063654103 15.999 > 49 50 O 0.21814415513754 0.78803473830137 0.37346331969803 15.999 > 50 51 O 0.71899900655657 0.86767733454625 0.86316518917671 15.999 > 51 52 O 0.37477756072396 0.12357178642038 0.54383288016777 15.999 > 52 53 O 0.28100099344343 0.13232266545375 0.13683481082329 15.999 > 53 54 O 0.28185584486246 0.28803473830137 0.37346331969803 15.999 > 54 55 O 0.78185584486245 0.21196526169863 0.62653668030197 15.999 > 55 56 O 0.71814415513755 0.71196526169863 0.62653668030197 15.999 > 56 57 O 0.16734032411693 0.95059618407732 0.37750063654103 15.999 > 57 58 O 0.16734032411693 0.54940381592268 0.87750063654103 15.999 > 58 59 O 0.66734032411693 0.54940381592268 0.62249936345897 15.999 > 59 60 O 0.37477756072396 0.37642821357961 0.04383288016777 15.999 > 60 61 O 0.21814415513754 0.71196526169863 0.87346331969803 15.999 > 61 62 O 0.33265967588307 0.04940381592268 0.87750063654103 15.999 > 62 63 O 0.28100099344343 0.36767733454625 0.63683481082329 15.999 > 63 64 O 0.87477756072396 0.37642821357961 0.45616711983223 15.999 > 64 65 O 0.71899900655657 0.63232266545375 0.36316518917671 15.999 > 65 66 O 0.21899900655657 0.63232266545375 0.13683481082329 15.999 > 66 67 O 0.83265967588307 0.04940381592268 0.62249936345897 15.999 > 67 68 O 0.87477756072396 0.12357178642038 0.95616711983223 15.999 > 68 69 O 0.62522243927604 0.62357178642039 0.95616711983223 15.999 > 69 70 O 0.66734032411693 0.95059618407732 0.12249936345897 15.999 > 70 71 O 0.12522243927604 0.87642821357961 0.04383288016777 15.999 > 71 72 O 0.78100099344343 0.13232266545375 0.36316518917671 15.999 > 72 73 O 0.62522243927604 0.87642821357961 0.45616711983223 15.999 > 73 74 O 0.28185584486246 0.21196526169863 0.87346331969803 15.999 > 74 75 O 0.78100099344343 0.36767733454625 0.86316518917671 15.999 > 75 76 O 0.78185584486245 0.28803473830137 0.12653668030197 15.999 > 76 77 O 0.12522243927604 0.62357178642039 0.54383288016777 15.999 > 77 78 O 0.83265967588307 0.45059618407732 0.12249936345897 15.999 > 78 79 O 0.71814415513755 0.78803473830137 0.12653668030197 15.999 > 79 80 O 0.21899900655657 0.86767733454625 0.63683481082329 15.999 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5295317 0.0000000 0.0000000 0.0000000 3.5353949 0.0000000 0.0000000 0.0000000 3.5993001 -------------------------- Born effective charges -------------------------- 1 Cs 1.1021897 -0.2125279 -0.1839319 -0.1490438 1.3818077 -0.1471184 -0.1002213 -0.0949077 1.3063416 2 Cs 1.1021897 -0.2125279 -0.1839319 -0.1490438 1.3818077 -0.1471184 -0.1002213 -0.0949077 1.3063416 3 Cs 1.1021897 0.2125279 0.1839319 0.1490438 1.3818077 -0.1471184 0.1002213 -0.0949077 1.3063416 4 Cs 1.1021897 -0.2125279 0.1839319 -0.1490438 1.3818077 0.1471184 0.1002213 0.0949077 1.3063416 5 Cs 1.1021897 0.2125279 0.1839319 0.1490438 1.3818077 -0.1471184 0.1002213 -0.0949077 1.3063416 6 Cs 1.1021897 0.2125279 -0.1839319 0.1490438 1.3818077 0.1471184 -0.1002213 0.0949077 1.3063416 7 Cs 1.1021897 -0.2125279 0.1839319 -0.1490438 1.3818077 0.1471184 0.1002213 0.0949077 1.3063416 8 Cs 1.1021897 0.2125279 -0.1839319 0.1490438 1.3818077 0.1471184 -0.1002213 0.0949077 1.3063416 9 K 1.0416130 0.2573583 0.0412780 0.2280548 1.3457521 0.2193961 0.0472142 0.1155176 0.9749019 10 K 1.0120890 0.1080061 -0.1794006 0.1406252 1.1916330 -0.0293766 -0.1202706 0.0243761 1.2608283 11 K 1.0120890 0.1080061 -0.1794006 0.1406252 1.1916330 -0.0293766 -0.1202706 0.0243761 1.2608283 12 K 1.3014110 -0.0484250 0.0366892 -0.0889499 1.0766444 0.1555343 -0.0660677 0.0701997 0.9700290 13 K 1.2681585 0.0195014 -0.0201804 0.0035351 0.8241555 -0.0022504 -0.1402525 0.0326783 1.1577025 14 K 1.3014110 0.0484250 0.0366892 0.0889499 1.0766444 -0.1555343 -0.0660677 -0.0701997 0.9700290 15 K 1.3014110 -0.0484250 -0.0366892 -0.0889499 1.0766444 -0.1555343 0.0660677 -0.0701997 0.9700290 16 K 1.2681585 0.0195014 0.0201804 0.0035351 0.8241555 0.0022504 0.1402525 -0.0326783 1.1577025 17 K 1.0416130 0.2573583 0.0412780 0.2280548 1.3457521 0.2193961 0.0472142 0.1155176 0.9749019 18 K 1.0120890 -0.1080061 -0.1794006 -0.1406252 1.1916330 0.0293766 -0.1202706 -0.0243761 1.2608283 19 K 1.0120890 0.1080061 0.1794006 0.1406252 1.1916330 0.0293766 0.1202706 -0.0243761 1.2608283 20 K 1.0120890 0.1080061 0.1794006 0.1406252 1.1916330 0.0293766 0.1202706 -0.0243761 1.2608283 21 K 1.0416130 -0.2573583 0.0412780 -0.2280548 1.3457521 -0.2193961 0.0472142 -0.1155176 0.9749019 22 K 1.3014110 -0.0484250 0.0366892 -0.0889499 1.0766444 0.1555343 -0.0660677 0.0701997 0.9700290 23 K 1.2681585 -0.0195014 -0.0201804 -0.0035351 0.8241555 0.0022504 -0.1402525 -0.0326783 1.1577025 24 K 1.0120890 -0.1080061 -0.1794006 -0.1406252 1.1916330 0.0293766 -0.1202706 -0.0243761 1.2608283 25 K 1.2681585 -0.0195014 -0.0201804 -0.0035351 0.8241555 0.0022504 -0.1402525 -0.0326783 1.1577025 26 K 1.3014110 0.0484250 0.0366892 0.0889499 1.0766444 -0.1555343 -0.0660677 -0.0701997 0.9700290 27 K 1.0416130 0.2573583 -0.0412780 0.2280548 1.3457521 -0.2193961 -0.0472142 -0.1155176 0.9749019 28 K 1.3014110 0.0484250 -0.0366892 0.0889499 1.0766444 0.1555343 0.0660677 0.0701997 0.9700290 29 K 1.2681585 -0.0195014 0.0201804 -0.0035351 0.8241555 -0.0022504 0.1402525 0.0326783 1.1577025 30 K 1.2681585 -0.0195014 0.0201804 -0.0035351 0.8241555 -0.0022504 0.1402525 0.0326783 1.1577025 31 K 1.0120890 -0.1080061 0.1794006 -0.1406252 1.1916330 -0.0293766 0.1202706 0.0243761 1.2608283 32 K 1.0416130 -0.2573583 0.0412780 -0.2280548 1.3457521 -0.2193961 0.0472142 -0.1155176 0.9749019 33 K 1.2681585 0.0195014 -0.0201804 0.0035351 0.8241555 -0.0022504 -0.1402525 0.0326783 1.1577025 34 K 1.0416130 -0.2573583 -0.0412780 -0.2280548 1.3457521 0.2193961 -0.0472142 0.1155176 0.9749019 35 K 1.0416130 -0.2573583 -0.0412780 -0.2280548 1.3457521 0.2193961 -0.0472142 0.1155176 0.9749019 36 K 1.0416130 0.2573583 -0.0412780 0.2280548 1.3457521 -0.2193961 -0.0472142 -0.1155176 0.9749019 37 K 1.2681585 0.0195014 0.0201804 0.0035351 0.8241555 0.0022504 0.1402525 -0.0326783 1.1577025 38 K 1.3014110 -0.0484250 -0.0366892 -0.0889499 1.0766444 -0.1555343 0.0660677 -0.0701997 0.9700290 39 K 1.0120890 -0.1080061 0.1794006 -0.1406252 1.1916330 -0.0293766 0.1202706 0.0243761 1.2608283 40 K 1.3014110 0.0484250 -0.0366892 0.0889499 1.0766444 0.1555343 0.0660677 0.0701997 0.9700290 41 Tl 2.4329660 -0.0377383 -0.0161691 -0.0315923 2.4099018 -0.0138333 -0.0495931 -0.0758130 2.4389934 42 Tl 2.4329660 0.0377383 0.0161691 0.0315923 2.4099018 -0.0138333 0.0495931 -0.0758130 2.4389934 43 Tl 2.4329660 0.0377383 -0.0161691 0.0315923 2.4099018 0.0138333 -0.0495931 0.0758130 2.4389934 44 Tl 2.4329660 0.0377383 -0.0161691 0.0315923 2.4099018 0.0138333 -0.0495931 0.0758130 2.4389934 45 Tl 2.4329660 0.0377383 0.0161691 0.0315923 2.4099018 -0.0138333 0.0495931 -0.0758130 2.4389934 46 Tl 2.4329660 -0.0377383 0.0161691 -0.0315923 2.4099018 0.0138333 0.0495931 0.0758130 2.4389934 47 Tl 2.4329660 -0.0377383 0.0161691 -0.0315923 2.4099018 0.0138333 0.0495931 0.0758130 2.4389934 48 Tl 2.4329660 -0.0377383 -0.0161691 -0.0315923 2.4099018 -0.0138333 -0.0495931 -0.0758130 2.4389934 49 O -2.0138125 -0.2267960 0.1845623 -0.3291464 -2.1779997 0.4295125 0.2606543 0.4511065 -2.0448256 50 O -1.7562706 -0.2678270 -0.1106705 -0.2313841 -2.3616029 -0.2341145 -0.1922374 -0.3171519 -1.8246987 51 O -1.7654685 -0.0818779 -0.2080746 -0.0361764 -1.8916189 -0.0522292 -0.2720803 -0.1389758 -2.6051762 52 O -2.6228756 -0.0728025 0.0415409 -0.1332116 -1.7986730 0.1323534 0.0920629 0.1354102 -1.6340962 53 O -1.7654685 -0.0818779 -0.2080746 -0.0361764 -1.8916189 -0.0522292 -0.2720803 -0.1389758 -2.6051762 54 O -1.7562706 0.2678270 0.1106705 0.2313841 -2.3616029 -0.2341145 0.1922374 -0.3171519 -1.8246987 55 O -1.7562706 -0.2678270 -0.1106705 -0.2313841 -2.3616029 -0.2341145 -0.1922374 -0.3171519 -1.8246987 56 O -1.7562706 0.2678270 0.1106705 0.2313841 -2.3616029 -0.2341145 0.1922374 -0.3171519 -1.8246987 57 O -2.0138125 0.2267960 -0.1845623 0.3291464 -2.1779997 0.4295125 -0.2606543 0.4511065 -2.0448256 58 O -2.0138125 -0.2267960 -0.1845623 -0.3291464 -2.1779997 -0.4295125 -0.2606543 -0.4511065 -2.0448256 59 O -2.0138125 -0.2267960 0.1845623 -0.3291464 -2.1779997 0.4295125 0.2606543 0.4511065 -2.0448256 60 O -2.6228756 0.0728025 0.0415409 0.1332116 -1.7986730 -0.1323534 0.0920629 -0.1354102 -1.6340962 61 O -1.7562706 0.2678270 -0.1106705 0.2313841 -2.3616029 0.2341145 -0.1922374 0.3171519 -1.8246987 62 O -2.0138125 0.2267960 0.1845623 0.3291464 -2.1779997 -0.4295125 0.2606543 -0.4511065 -2.0448256 63 O -1.7654685 0.0818779 -0.2080746 0.0361764 -1.8916189 0.0522292 -0.2720803 0.1389758 -2.6051762 64 O -2.6228756 0.0728025 -0.0415409 0.1332116 -1.7986730 0.1323534 -0.0920629 0.1354102 -1.6340962 65 O -1.7654685 0.0818779 -0.2080746 0.0361764 -1.8916189 0.0522292 -0.2720803 0.1389758 -2.6051762 66 O -1.7654685 0.0818779 0.2080746 0.0361764 -1.8916189 -0.0522292 0.2720803 -0.1389758 -2.6051762 67 O -2.0138125 0.2267960 -0.1845623 0.3291464 -2.1779997 0.4295125 -0.2606543 0.4511065 -2.0448256 68 O -2.6228756 -0.0728025 -0.0415409 -0.1332116 -1.7986730 -0.1323534 -0.0920629 -0.1354102 -1.6340962 69 O -2.6228756 0.0728025 0.0415409 0.1332116 -1.7986730 -0.1323534 0.0920629 -0.1354102 -1.6340962 70 O -2.0138125 0.2267960 0.1845623 0.3291464 -2.1779997 -0.4295125 0.2606543 -0.4511065 -2.0448256 71 O -2.6228756 -0.0728025 -0.0415409 -0.1332116 -1.7986730 -0.1323534 -0.0920629 -0.1354102 -1.6340962 72 O -1.7654685 -0.0818779 0.2080746 -0.0361764 -1.8916189 0.0522292 0.2720803 0.1389758 -2.6051762 73 O -2.6228756 -0.0728025 0.0415409 -0.1332116 -1.7986730 0.1323534 0.0920629 0.1354102 -1.6340962 74 O -1.7562706 -0.2678270 0.1106705 -0.2313841 -2.3616029 0.2341145 0.1922374 0.3171519 -1.8246987 75 O -1.7654685 0.0818779 0.2080746 0.0361764 -1.8916189 -0.0522292 0.2720803 -0.1389758 -2.6051762 76 O -1.7562706 0.2678270 -0.1106705 0.2313841 -2.3616029 0.2341145 -0.1922374 0.3171519 -1.8246987 77 O -2.6228756 0.0728025 -0.0415409 0.1332116 -1.7986730 0.1323534 -0.0920629 0.1354102 -1.6340962 78 O -2.0138125 -0.2267960 -0.1845623 -0.3291464 -2.1779997 -0.4295125 -0.2606543 -0.4511065 -2.0448256 79 O -1.7562706 -0.2678270 0.1106705 -0.2313841 -2.3616029 0.2341145 0.1922374 0.3171519 -1.8246987 80 O -1.7654685 -0.0818779 0.2080746 -0.0361764 -1.8916189 0.0522292 0.2720803 0.1389758 -2.6051762 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 10, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 12, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 50, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 51, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 52, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) 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 17:31:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:31:10]------------------------- 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 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.886980860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 21.409348970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.024310440000001 Atomic positions (fractional): 1 Cs 0.41823227839087 0.49909933953954 0.15936019155869 132.905 2 Cs 0.58176772160913 0.50090066046046 0.84063980844131 132.905 3 Cs 0.08176772160913 0.99909933953954 0.15936019155869 132.905 4 Cs 0.91823227839087 0.49909933953954 0.34063980844131 132.905 5 Cs 0.91823227839087 0.00090066046046 0.84063980844131 132.905 6 Cs 0.58176772160913 0.99909933953954 0.34063980844131 132.905 7 Cs 0.08176772160913 0.50090066046046 0.65936019155869 132.905 8 Cs 0.41823227839087 0.00090066046046 0.65936019155869 132.905 9 K 0.41572090038527 0.24864611716957 0.07809379575646 39.098 10 K 0.90912068930554 0.32583040879127 0.67231491867801 39.098 11 K 0.09087931069446 0.67416959120873 0.32768508132199 39.098 12 K 0.91256338264669 0.93367923996658 0.55802277901449 39.098 13 K 0.40963831538332 0.64415624140251 0.69875104414177 39.098 14 K 0.91256338264669 0.56632076003342 0.05802277901449 39.098 15 K 0.41256338264669 0.93367923996658 0.94197722098551 39.098 16 K 0.09036168461668 0.35584375859749 0.19875104414177 39.098 17 K 0.58427909961473 0.75135388283043 0.92190620424354 39.098 18 K 0.90912068930554 0.17416959120873 0.17231491867801 39.098 19 K 0.59087931069446 0.67416959120873 0.17231491867801 39.098 20 K 0.40912068930554 0.32583040879127 0.82768508132199 39.098 21 K 0.41572090038527 0.25135388283043 0.57809379575646 39.098 22 K 0.08743661735331 0.06632076003342 0.44197722098551 39.098 23 K 0.59036168461668 0.14415624140251 0.80124895585823 39.098 24 K 0.09087931069446 0.82583040879127 0.82768508132199 39.098 25 K 0.40963831538332 0.85584375859749 0.19875104414177 39.098 26 K 0.08743661735331 0.43367923996658 0.94197722098551 39.098 27 K 0.08427909961473 0.75135388283043 0.57809379575646 39.098 28 K 0.58743661735331 0.43367923996658 0.55802277901449 39.098 29 K 0.90963831538332 0.85584375859749 0.30124895585823 39.098 30 K 0.09036168461668 0.14415624140251 0.69875104414177 39.098 31 K 0.40912068930554 0.17416959120873 0.32768508132199 39.098 32 K 0.58427909961473 0.74864611716957 0.42190620424354 39.098 33 K 0.59036168461668 0.35584375859749 0.30124895585823 39.098 34 K 0.08427909961473 0.74864611716957 0.07809379575646 39.098 35 K 0.91572090038527 0.25135388283043 0.92190620424354 39.098 36 K 0.91572090038527 0.24864611716957 0.42190620424354 39.098 37 K 0.90963831538332 0.64415624140251 0.80124895585823 39.098 38 K 0.58743661735331 0.06632076003342 0.05802277901449 39.098 39 K 0.59087931069446 0.82583040879127 0.67231491867801 39.098 40 K 0.41256338264669 0.56632076003342 0.44197722098551 39.098 41 Tl 0.80977352000744 0.62681218150802 0.53732758237690 204.383 42 Tl 0.69022647999256 0.12681218150802 0.53732758237690 204.383 43 Tl 0.19022647999256 0.12681218150802 0.96267241762310 204.383 44 Tl 0.80977352000744 0.87318781849198 0.03732758237690 204.383 45 Tl 0.30977352000744 0.87318781849198 0.46267241762310 204.383 46 Tl 0.30977352000744 0.62681218150802 0.96267241762310 204.383 47 Tl 0.69022647999256 0.37318781849198 0.03732758237690 204.383 48 Tl 0.19022647999256 0.37318781849198 0.46267241762310 204.383 49 O 0.33265967588307 0.45059618407732 0.37750063654103 15.999 50 O 0.21814415513754 0.78803473830137 0.37346331969803 15.999 51 O 0.71899900655657 0.86767733454625 0.86316518917671 15.999 52 O 0.37477756072396 0.12357178642038 0.54383288016777 15.999 53 O 0.28100099344343 0.13232266545375 0.13683481082329 15.999 54 O 0.28185584486246 0.28803473830137 0.37346331969803 15.999 55 O 0.78185584486245 0.21196526169863 0.62653668030197 15.999 56 O 0.71814415513755 0.71196526169863 0.62653668030197 15.999 57 O 0.16734032411693 0.95059618407732 0.37750063654103 15.999 58 O 0.16734032411693 0.54940381592268 0.87750063654103 15.999 59 O 0.66734032411693 0.54940381592268 0.62249936345897 15.999 60 O 0.37477756072396 0.37642821357961 0.04383288016777 15.999 61 O 0.21814415513754 0.71196526169863 0.87346331969803 15.999 62 O 0.33265967588307 0.04940381592268 0.87750063654103 15.999 63 O 0.28100099344343 0.36767733454625 0.63683481082329 15.999 64 O 0.87477756072396 0.37642821357961 0.45616711983223 15.999 65 O 0.71899900655657 0.63232266545375 0.36316518917671 15.999 66 O 0.21899900655657 0.63232266545375 0.13683481082329 15.999 67 O 0.83265967588307 0.04940381592268 0.62249936345897 15.999 68 O 0.87477756072396 0.12357178642038 0.95616711983223 15.999 69 O 0.62522243927604 0.62357178642039 0.95616711983223 15.999 70 O 0.66734032411693 0.95059618407732 0.12249936345897 15.999 71 O 0.12522243927604 0.87642821357961 0.04383288016777 15.999 72 O 0.78100099344343 0.13232266545375 0.36316518917671 15.999 73 O 0.62522243927604 0.87642821357961 0.45616711983223 15.999 74 O 0.28185584486246 0.21196526169863 0.87346331969803 15.999 75 O 0.78100099344343 0.36767733454625 0.86316518917671 15.999 76 O 0.78185584486245 0.28803473830137 0.12653668030197 15.999 77 O 0.12522243927604 0.62357178642039 0.54383288016777 15.999 78 O 0.83265967588307 0.45059618407732 0.12249936345897 15.999 79 O 0.71814415513755 0.78803473830137 0.12653668030197 15.999 80 O 0.21899900655657 0.86767733454625 0.63683481082329 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.886980860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 21.409348970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.024310440000001 Atomic positions (fractional): 1 Cs 0.41823227839087 0.49909933953954 0.15936019155869 132.905 > 1 2 Cs 0.58176772160913 0.50090066046046 0.84063980844131 132.905 > 2 3 Cs 0.08176772160913 0.99909933953954 0.15936019155869 132.905 > 3 4 Cs 0.91823227839087 0.49909933953954 0.34063980844131 132.905 > 4 5 Cs 0.91823227839087 0.00090066046046 0.84063980844131 132.905 > 5 6 Cs 0.58176772160913 0.99909933953954 0.34063980844131 132.905 > 6 7 Cs 0.08176772160913 0.50090066046046 0.65936019155869 132.905 > 7 8 Cs 0.41823227839087 0.00090066046046 0.65936019155869 132.905 > 8 9 K 0.41572090038527 0.24864611716957 0.07809379575646 39.098 > 9 10 K 0.90912068930554 0.32583040879127 0.67231491867801 39.098 > 10 11 K 0.09087931069446 0.67416959120873 0.32768508132199 39.098 > 11 12 K 0.91256338264669 0.93367923996658 0.55802277901449 39.098 > 12 13 K 0.40963831538332 0.64415624140251 0.69875104414177 39.098 > 13 14 K 0.91256338264669 0.56632076003342 0.05802277901449 39.098 > 14 15 K 0.41256338264669 0.93367923996658 0.94197722098551 39.098 > 15 16 K 0.09036168461668 0.35584375859749 0.19875104414177 39.098 > 16 17 K 0.58427909961473 0.75135388283043 0.92190620424354 39.098 > 17 18 K 0.90912068930554 0.17416959120873 0.17231491867801 39.098 > 18 19 K 0.59087931069446 0.67416959120873 0.17231491867801 39.098 > 19 20 K 0.40912068930554 0.32583040879127 0.82768508132199 39.098 > 20 21 K 0.41572090038527 0.25135388283043 0.57809379575646 39.098 > 21 22 K 0.08743661735331 0.06632076003342 0.44197722098551 39.098 > 22 23 K 0.59036168461668 0.14415624140251 0.80124895585823 39.098 > 23 24 K 0.09087931069446 0.82583040879127 0.82768508132199 39.098 > 24 25 K 0.40963831538332 0.85584375859749 0.19875104414177 39.098 > 25 26 K 0.08743661735331 0.43367923996658 0.94197722098551 39.098 > 26 27 K 0.08427909961473 0.75135388283043 0.57809379575646 39.098 > 27 28 K 0.58743661735331 0.43367923996658 0.55802277901449 39.098 > 28 29 K 0.90963831538332 0.85584375859749 0.30124895585823 39.098 > 29 30 K 0.09036168461668 0.14415624140251 0.69875104414177 39.098 > 30 31 K 0.40912068930554 0.17416959120873 0.32768508132199 39.098 > 31 32 K 0.58427909961473 0.74864611716957 0.42190620424354 39.098 > 32 33 K 0.59036168461668 0.35584375859749 0.30124895585823 39.098 > 33 34 K 0.08427909961473 0.74864611716957 0.07809379575646 39.098 > 34 35 K 0.91572090038527 0.25135388283043 0.92190620424354 39.098 > 35 36 K 0.91572090038527 0.24864611716957 0.42190620424354 39.098 > 36 37 K 0.90963831538332 0.64415624140251 0.80124895585823 39.098 > 37 38 K 0.58743661735331 0.06632076003342 0.05802277901449 39.098 > 38 39 K 0.59087931069446 0.82583040879127 0.67231491867801 39.098 > 39 40 K 0.41256338264669 0.56632076003342 0.44197722098551 39.098 > 40 41 Tl 0.80977352000744 0.62681218150802 0.53732758237690 204.383 > 41 42 Tl 0.69022647999256 0.12681218150802 0.53732758237690 204.383 > 42 43 Tl 0.19022647999256 0.12681218150802 0.96267241762310 204.383 > 43 44 Tl 0.80977352000744 0.87318781849198 0.03732758237690 204.383 > 44 45 Tl 0.30977352000744 0.87318781849198 0.46267241762310 204.383 > 45 46 Tl 0.30977352000744 0.62681218150802 0.96267241762310 204.383 > 46 47 Tl 0.69022647999256 0.37318781849198 0.03732758237690 204.383 > 47 48 Tl 0.19022647999256 0.37318781849198 0.46267241762310 204.383 > 48 49 O 0.33265967588307 0.45059618407732 0.37750063654103 15.999 > 49 50 O 0.21814415513754 0.78803473830137 0.37346331969803 15.999 > 50 51 O 0.71899900655657 0.86767733454625 0.86316518917671 15.999 > 51 52 O 0.37477756072396 0.12357178642038 0.54383288016777 15.999 > 52 53 O 0.28100099344343 0.13232266545375 0.13683481082329 15.999 > 53 54 O 0.28185584486246 0.28803473830137 0.37346331969803 15.999 > 54 55 O 0.78185584486245 0.21196526169863 0.62653668030197 15.999 > 55 56 O 0.71814415513755 0.71196526169863 0.62653668030197 15.999 > 56 57 O 0.16734032411693 0.95059618407732 0.37750063654103 15.999 > 57 58 O 0.16734032411693 0.54940381592268 0.87750063654103 15.999 > 58 59 O 0.66734032411693 0.54940381592268 0.62249936345897 15.999 > 59 60 O 0.37477756072396 0.37642821357961 0.04383288016777 15.999 > 60 61 O 0.21814415513754 0.71196526169863 0.87346331969803 15.999 > 61 62 O 0.33265967588307 0.04940381592268 0.87750063654103 15.999 > 62 63 O 0.28100099344343 0.36767733454625 0.63683481082329 15.999 > 63 64 O 0.87477756072396 0.37642821357961 0.45616711983223 15.999 > 64 65 O 0.71899900655657 0.63232266545375 0.36316518917671 15.999 > 65 66 O 0.21899900655657 0.63232266545375 0.13683481082329 15.999 > 66 67 O 0.83265967588307 0.04940381592268 0.62249936345897 15.999 > 67 68 O 0.87477756072396 0.12357178642038 0.95616711983223 15.999 > 68 69 O 0.62522243927604 0.62357178642039 0.95616711983223 15.999 > 69 70 O 0.66734032411693 0.95059618407732 0.12249936345897 15.999 > 70 71 O 0.12522243927604 0.87642821357961 0.04383288016777 15.999 > 71 72 O 0.78100099344343 0.13232266545375 0.36316518917671 15.999 > 72 73 O 0.62522243927604 0.87642821357961 0.45616711983223 15.999 > 73 74 O 0.28185584486246 0.21196526169863 0.87346331969803 15.999 > 74 75 O 0.78100099344343 0.36767733454625 0.86316518917671 15.999 > 75 76 O 0.78185584486245 0.28803473830137 0.12653668030197 15.999 > 76 77 O 0.12522243927604 0.62357178642039 0.54383288016777 15.999 > 77 78 O 0.83265967588307 0.45059618407732 0.12249936345897 15.999 > 78 79 O 0.71814415513755 0.78803473830137 0.12653668030197 15.999 > 79 80 O 0.21899900655657 0.86767733454625 0.63683481082329 15.999 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5295317 0.0000000 0.0000000 0.0000000 3.5353949 0.0000000 0.0000000 0.0000000 3.5993001 -------------------------- Born effective charges -------------------------- 1 Cs 1.1021897 -0.2125279 -0.1839319 -0.1490438 1.3818077 -0.1471184 -0.1002213 -0.0949077 1.3063416 2 Cs 1.1021897 -0.2125279 -0.1839319 -0.1490438 1.3818077 -0.1471184 -0.1002213 -0.0949077 1.3063416 3 Cs 1.1021897 0.2125279 0.1839319 0.1490438 1.3818077 -0.1471184 0.1002213 -0.0949077 1.3063416 4 Cs 1.1021897 -0.2125279 0.1839319 -0.1490438 1.3818077 0.1471184 0.1002213 0.0949077 1.3063416 5 Cs 1.1021897 0.2125279 0.1839319 0.1490438 1.3818077 -0.1471184 0.1002213 -0.0949077 1.3063416 6 Cs 1.1021897 0.2125279 -0.1839319 0.1490438 1.3818077 0.1471184 -0.1002213 0.0949077 1.3063416 7 Cs 1.1021897 -0.2125279 0.1839319 -0.1490438 1.3818077 0.1471184 0.1002213 0.0949077 1.3063416 8 Cs 1.1021897 0.2125279 -0.1839319 0.1490438 1.3818077 0.1471184 -0.1002213 0.0949077 1.3063416 9 K 1.0416130 0.2573583 0.0412780 0.2280548 1.3457521 0.2193961 0.0472142 0.1155176 0.9749019 10 K 1.0120890 0.1080061 -0.1794006 0.1406252 1.1916330 -0.0293766 -0.1202706 0.0243761 1.2608283 11 K 1.0120890 0.1080061 -0.1794006 0.1406252 1.1916330 -0.0293766 -0.1202706 0.0243761 1.2608283 12 K 1.3014110 -0.0484250 0.0366892 -0.0889499 1.0766444 0.1555343 -0.0660677 0.0701997 0.9700290 13 K 1.2681585 0.0195014 -0.0201804 0.0035351 0.8241555 -0.0022504 -0.1402525 0.0326783 1.1577025 14 K 1.3014110 0.0484250 0.0366892 0.0889499 1.0766444 -0.1555343 -0.0660677 -0.0701997 0.9700290 15 K 1.3014110 -0.0484250 -0.0366892 -0.0889499 1.0766444 -0.1555343 0.0660677 -0.0701997 0.9700290 16 K 1.2681585 0.0195014 0.0201804 0.0035351 0.8241555 0.0022504 0.1402525 -0.0326783 1.1577025 17 K 1.0416130 0.2573583 0.0412780 0.2280548 1.3457521 0.2193961 0.0472142 0.1155176 0.9749019 18 K 1.0120890 -0.1080061 -0.1794006 -0.1406252 1.1916330 0.0293766 -0.1202706 -0.0243761 1.2608283 19 K 1.0120890 0.1080061 0.1794006 0.1406252 1.1916330 0.0293766 0.1202706 -0.0243761 1.2608283 20 K 1.0120890 0.1080061 0.1794006 0.1406252 1.1916330 0.0293766 0.1202706 -0.0243761 1.2608283 21 K 1.0416130 -0.2573583 0.0412780 -0.2280548 1.3457521 -0.2193961 0.0472142 -0.1155176 0.9749019 22 K 1.3014110 -0.0484250 0.0366892 -0.0889499 1.0766444 0.1555343 -0.0660677 0.0701997 0.9700290 23 K 1.2681585 -0.0195014 -0.0201804 -0.0035351 0.8241555 0.0022504 -0.1402525 -0.0326783 1.1577025 24 K 1.0120890 -0.1080061 -0.1794006 -0.1406252 1.1916330 0.0293766 -0.1202706 -0.0243761 1.2608283 25 K 1.2681585 -0.0195014 -0.0201804 -0.0035351 0.8241555 0.0022504 -0.1402525 -0.0326783 1.1577025 26 K 1.3014110 0.0484250 0.0366892 0.0889499 1.0766444 -0.1555343 -0.0660677 -0.0701997 0.9700290 27 K 1.0416130 0.2573583 -0.0412780 0.2280548 1.3457521 -0.2193961 -0.0472142 -0.1155176 0.9749019 28 K 1.3014110 0.0484250 -0.0366892 0.0889499 1.0766444 0.1555343 0.0660677 0.0701997 0.9700290 29 K 1.2681585 -0.0195014 0.0201804 -0.0035351 0.8241555 -0.0022504 0.1402525 0.0326783 1.1577025 30 K 1.2681585 -0.0195014 0.0201804 -0.0035351 0.8241555 -0.0022504 0.1402525 0.0326783 1.1577025 31 K 1.0120890 -0.1080061 0.1794006 -0.1406252 1.1916330 -0.0293766 0.1202706 0.0243761 1.2608283 32 K 1.0416130 -0.2573583 0.0412780 -0.2280548 1.3457521 -0.2193961 0.0472142 -0.1155176 0.9749019 33 K 1.2681585 0.0195014 -0.0201804 0.0035351 0.8241555 -0.0022504 -0.1402525 0.0326783 1.1577025 34 K 1.0416130 -0.2573583 -0.0412780 -0.2280548 1.3457521 0.2193961 -0.0472142 0.1155176 0.9749019 35 K 1.0416130 -0.2573583 -0.0412780 -0.2280548 1.3457521 0.2193961 -0.0472142 0.1155176 0.9749019 36 K 1.0416130 0.2573583 -0.0412780 0.2280548 1.3457521 -0.2193961 -0.0472142 -0.1155176 0.9749019 37 K 1.2681585 0.0195014 0.0201804 0.0035351 0.8241555 0.0022504 0.1402525 -0.0326783 1.1577025 38 K 1.3014110 -0.0484250 -0.0366892 -0.0889499 1.0766444 -0.1555343 0.0660677 -0.0701997 0.9700290 39 K 1.0120890 -0.1080061 0.1794006 -0.1406252 1.1916330 -0.0293766 0.1202706 0.0243761 1.2608283 40 K 1.3014110 0.0484250 -0.0366892 0.0889499 1.0766444 0.1555343 0.0660677 0.0701997 0.9700290 41 Tl 2.4329660 -0.0377383 -0.0161691 -0.0315923 2.4099018 -0.0138333 -0.0495931 -0.0758130 2.4389934 42 Tl 2.4329660 0.0377383 0.0161691 0.0315923 2.4099018 -0.0138333 0.0495931 -0.0758130 2.4389934 43 Tl 2.4329660 0.0377383 -0.0161691 0.0315923 2.4099018 0.0138333 -0.0495931 0.0758130 2.4389934 44 Tl 2.4329660 0.0377383 -0.0161691 0.0315923 2.4099018 0.0138333 -0.0495931 0.0758130 2.4389934 45 Tl 2.4329660 0.0377383 0.0161691 0.0315923 2.4099018 -0.0138333 0.0495931 -0.0758130 2.4389934 46 Tl 2.4329660 -0.0377383 0.0161691 -0.0315923 2.4099018 0.0138333 0.0495931 0.0758130 2.4389934 47 Tl 2.4329660 -0.0377383 0.0161691 -0.0315923 2.4099018 0.0138333 0.0495931 0.0758130 2.4389934 48 Tl 2.4329660 -0.0377383 -0.0161691 -0.0315923 2.4099018 -0.0138333 -0.0495931 -0.0758130 2.4389934 49 O -2.0138125 -0.2267960 0.1845623 -0.3291464 -2.1779997 0.4295125 0.2606543 0.4511065 -2.0448256 50 O -1.7562706 -0.2678270 -0.1106705 -0.2313841 -2.3616029 -0.2341145 -0.1922374 -0.3171519 -1.8246987 51 O -1.7654685 -0.0818779 -0.2080746 -0.0361764 -1.8916189 -0.0522292 -0.2720803 -0.1389758 -2.6051762 52 O -2.6228756 -0.0728025 0.0415409 -0.1332116 -1.7986730 0.1323534 0.0920629 0.1354102 -1.6340962 53 O -1.7654685 -0.0818779 -0.2080746 -0.0361764 -1.8916189 -0.0522292 -0.2720803 -0.1389758 -2.6051762 54 O -1.7562706 0.2678270 0.1106705 0.2313841 -2.3616029 -0.2341145 0.1922374 -0.3171519 -1.8246987 55 O -1.7562706 -0.2678270 -0.1106705 -0.2313841 -2.3616029 -0.2341145 -0.1922374 -0.3171519 -1.8246987 56 O -1.7562706 0.2678270 0.1106705 0.2313841 -2.3616029 -0.2341145 0.1922374 -0.3171519 -1.8246987 57 O -2.0138125 0.2267960 -0.1845623 0.3291464 -2.1779997 0.4295125 -0.2606543 0.4511065 -2.0448256 58 O -2.0138125 -0.2267960 -0.1845623 -0.3291464 -2.1779997 -0.4295125 -0.2606543 -0.4511065 -2.0448256 59 O -2.0138125 -0.2267960 0.1845623 -0.3291464 -2.1779997 0.4295125 0.2606543 0.4511065 -2.0448256 60 O -2.6228756 0.0728025 0.0415409 0.1332116 -1.7986730 -0.1323534 0.0920629 -0.1354102 -1.6340962 61 O -1.7562706 0.2678270 -0.1106705 0.2313841 -2.3616029 0.2341145 -0.1922374 0.3171519 -1.8246987 62 O -2.0138125 0.2267960 0.1845623 0.3291464 -2.1779997 -0.4295125 0.2606543 -0.4511065 -2.0448256 63 O -1.7654685 0.0818779 -0.2080746 0.0361764 -1.8916189 0.0522292 -0.2720803 0.1389758 -2.6051762 64 O -2.6228756 0.0728025 -0.0415409 0.1332116 -1.7986730 0.1323534 -0.0920629 0.1354102 -1.6340962 65 O -1.7654685 0.0818779 -0.2080746 0.0361764 -1.8916189 0.0522292 -0.2720803 0.1389758 -2.6051762 66 O -1.7654685 0.0818779 0.2080746 0.0361764 -1.8916189 -0.0522292 0.2720803 -0.1389758 -2.6051762 67 O -2.0138125 0.2267960 -0.1845623 0.3291464 -2.1779997 0.4295125 -0.2606543 0.4511065 -2.0448256 68 O -2.6228756 -0.0728025 -0.0415409 -0.1332116 -1.7986730 -0.1323534 -0.0920629 -0.1354102 -1.6340962 69 O -2.6228756 0.0728025 0.0415409 0.1332116 -1.7986730 -0.1323534 0.0920629 -0.1354102 -1.6340962 70 O -2.0138125 0.2267960 0.1845623 0.3291464 -2.1779997 -0.4295125 0.2606543 -0.4511065 -2.0448256 71 O -2.6228756 -0.0728025 -0.0415409 -0.1332116 -1.7986730 -0.1323534 -0.0920629 -0.1354102 -1.6340962 72 O -1.7654685 -0.0818779 0.2080746 -0.0361764 -1.8916189 0.0522292 0.2720803 0.1389758 -2.6051762 73 O -2.6228756 -0.0728025 0.0415409 -0.1332116 -1.7986730 0.1323534 0.0920629 0.1354102 -1.6340962 74 O -1.7562706 -0.2678270 0.1106705 -0.2313841 -2.3616029 0.2341145 0.1922374 0.3171519 -1.8246987 75 O -1.7654685 0.0818779 0.2080746 0.0361764 -1.8916189 -0.0522292 0.2720803 -0.1389758 -2.6051762 76 O -1.7562706 0.2678270 -0.1106705 0.2313841 -2.3616029 0.2341145 -0.1922374 0.3171519 -1.8246987 77 O -2.6228756 0.0728025 -0.0415409 0.1332116 -1.7986730 0.1323534 -0.0920629 0.1354102 -1.6340962 78 O -2.0138125 -0.2267960 -0.1845623 -0.3291464 -2.1779997 -0.4295125 -0.2606543 -0.4511065 -2.0448256 79 O -1.7562706 -0.2678270 0.1106705 -0.2313841 -2.3616029 0.2341145 0.1922374 0.3171519 -1.8246987 80 O -1.7654685 -0.0818779 0.2080746 -0.0361764 -1.8916189 0.0522292 0.2720803 0.1389758 -2.6051762 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 2 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: 0.34, Number of G-points: 303, Lambda: 0.07 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/24) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 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 0.801 ( 0.000 0.000 0.000) 0.000 0.806 ( 0.000 0.000 0.000) 0.000 0.823 ( 0.000 0.000 0.000) 0.000 0.854 ( 0.000 0.000 0.000) 0.000 1.037 ( 0.000 0.000 0.000) 0.000 1.142 ( 0.000 0.000 0.000) 0.000 1.170 ( 0.000 0.000 0.000) 0.000 1.231 ( 0.000 0.000 0.000) 0.000 1.256 ( 0.000 0.000 0.000) 0.000 1.336 ( 0.000 0.000 0.000) 0.000 1.391 ( 0.000 0.000 0.000) 0.000 1.391 ( 0.000 0.000 0.000) 0.000 1.447 ( 0.000 0.000 0.000) 0.000 1.452 ( 0.000 0.000 0.000) 0.000 1.476 ( 0.000 0.000 0.000) 0.000 1.501 ( 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 1.602 ( 0.000 0.000 0.000) 0.000 1.608 ( 0.000 0.000 0.000) 0.000 1.619 ( 0.000 0.000 0.000) 0.000 1.667 ( 0.000 0.000 0.000) 0.000 1.675 ( 0.000 0.000 0.000) 0.000 1.683 ( 0.000 0.000 0.000) 0.000 1.685 ( 0.000 0.000 0.000) 0.000 1.699 ( 0.000 0.000 0.000) 0.000 1.707 ( 0.000 0.000 0.000) 0.000 1.770 ( 0.000 0.000 0.000) 0.000 1.771 ( 0.000 0.000 0.000) 0.000 1.807 ( 0.000 0.000 0.000) 0.000 1.848 ( 0.000 0.000 0.000) 0.000 1.869 ( 0.000 0.000 0.000) 0.000 1.884 ( 0.000 0.000 0.000) 0.000 1.900 ( 0.000 0.000 0.000) 0.000 1.914 ( 0.000 0.000 0.000) 0.000 1.925 ( 0.000 0.000 0.000) 0.000 1.973 ( 0.000 0.000 0.000) 0.000 2.000 ( 0.000 0.000 0.000) 0.000 2.031 ( 0.000 0.000 0.000) 0.000 2.073 ( 0.000 0.000 0.000) 0.000 2.095 ( 0.000 0.000 0.000) 0.000 2.141 ( 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 2.180 ( 0.000 0.000 0.000) 0.000 2.247 ( 0.000 0.000 0.000) 0.000 2.258 ( 0.000 0.000 0.000) 0.000 2.302 ( 0.000 0.000 0.000) 0.000 2.341 ( 0.000 0.000 0.000) 0.000 2.407 ( 0.000 0.000 0.000) 0.000 2.426 ( 0.000 0.000 0.000) 0.000 2.433 ( 0.000 0.000 0.000) 0.000 2.450 ( 0.000 0.000 0.000) 0.000 2.475 ( 0.000 0.000 0.000) 0.000 2.510 ( 0.000 0.000 0.000) 0.000 2.584 ( 0.000 0.000 0.000) 0.000 2.587 ( 0.000 0.000 0.000) 0.000 2.607 ( 0.000 0.000 0.000) 0.000 2.629 ( 0.000 0.000 0.000) 0.000 2.656 ( 0.000 0.000 0.000) 0.000 2.691 ( 0.000 0.000 0.000) 0.000 2.692 ( 0.000 0.000 0.000) 0.000 2.758 ( 0.000 0.000 0.000) 0.000 2.768 ( 0.000 0.000 0.000) 0.000 2.788 ( 0.000 0.000 0.000) 0.000 2.808 ( 0.000 0.000 0.000) 0.000 2.872 ( 0.000 0.000 0.000) 0.000 2.922 ( 0.000 0.000 0.000) 0.000 2.939 ( 0.000 0.000 0.000) 0.000 2.952 ( 0.000 0.000 0.000) 0.000 2.974 ( 0.000 0.000 0.000) 0.000 3.036 ( 0.000 0.000 0.000) 0.000 3.055 ( 0.000 0.000 0.000) 0.000 3.161 ( 0.000 0.000 0.000) 0.000 3.196 ( 0.000 0.000 0.000) 0.000 3.229 ( 0.000 0.000 0.000) 0.000 3.239 ( 0.000 0.000 0.000) 0.000 3.264 ( 0.000 0.000 0.000) 0.000 3.388 ( 0.000 0.000 0.000) 0.000 3.408 ( 0.000 0.000 0.000) 0.000 3.409 ( 0.000 0.000 0.000) 0.000 3.457 ( 0.000 0.000 0.000) 0.000 3.489 ( 0.000 0.000 0.000) 0.000 3.511 ( 0.000 0.000 0.000) 0.000 3.535 ( 0.000 0.000 0.000) 0.000 3.554 ( 0.000 0.000 0.000) 0.000 3.618 ( 0.000 0.000 0.000) 0.000 3.646 ( 0.000 0.000 0.000) 0.000 3.739 ( 0.000 0.000 0.000) 0.000 3.751 ( 0.000 0.000 0.000) 0.000 3.773 ( 0.000 0.000 0.000) 0.000 3.847 ( 0.000 0.000 0.000) 0.000 3.889 ( 0.000 0.000 0.000) 0.000 3.968 ( 0.000 0.000 0.000) 0.000 4.006 ( 0.000 0.000 0.000) 0.000 4.041 ( 0.000 0.000 0.000) 0.000 4.045 ( 0.000 0.000 0.000) 0.000 4.102 ( 0.000 0.000 0.000) 0.000 4.109 ( 0.000 0.000 0.000) 0.000 4.121 ( 0.000 0.000 0.000) 0.000 4.142 ( 0.000 0.000 0.000) 0.000 4.185 ( 0.000 0.000 0.000) 0.000 4.188 ( 0.000 0.000 0.000) 0.000 4.205 ( 0.000 0.000 0.000) 0.000 4.211 ( 0.000 0.000 0.000) 0.000 4.239 ( 0.000 0.000 0.000) 0.000 4.258 ( 0.000 0.000 0.000) 0.000 4.304 ( 0.000 0.000 0.000) 0.000 4.409 ( 0.000 0.000 0.000) 0.000 4.410 ( 0.000 0.000 0.000) 0.000 4.415 ( 0.000 0.000 0.000) 0.000 4.425 ( 0.000 0.000 0.000) 0.000 4.503 ( 0.000 0.000 0.000) 0.000 4.518 ( 0.000 0.000 0.000) 0.000 4.533 ( 0.000 0.000 0.000) 0.000 4.573 ( 0.000 0.000 0.000) 0.000 4.595 ( 0.000 0.000 0.000) 0.000 4.638 ( 0.000 0.000 0.000) 0.000 4.643 ( 0.000 0.000 0.000) 0.000 4.643 ( 0.000 0.000 0.000) 0.000 4.657 ( 0.000 0.000 0.000) 0.000 4.687 ( 0.000 0.000 0.000) 0.000 4.698 ( 0.000 0.000 0.000) 0.000 4.745 ( 0.000 0.000 0.000) 0.000 4.781 ( 0.000 0.000 0.000) 0.000 4.836 ( 0.000 0.000 0.000) 0.000 4.848 ( 0.000 0.000 0.000) 0.000 4.853 ( 0.000 0.000 0.000) 0.000 4.927 ( 0.000 0.000 0.000) 0.000 4.929 ( 0.000 0.000 0.000) 0.000 4.937 ( 0.000 0.000 0.000) 0.000 4.980 ( 0.000 0.000 0.000) 0.000 4.982 ( 0.000 0.000 0.000) 0.000 4.984 ( 0.000 0.000 0.000) 0.000 4.993 ( 0.000 0.000 0.000) 0.000 5.004 ( 0.000 0.000 0.000) 0.000 5.024 ( 0.000 0.000 0.000) 0.000 5.039 ( 0.000 0.000 0.000) 0.000 5.064 ( 0.000 0.000 0.000) 0.000 5.078 ( 0.000 0.000 0.000) 0.000 5.097 ( 0.000 0.000 0.000) 0.000 5.124 ( 0.000 0.000 0.000) 0.000 5.136 ( 0.000 0.000 0.000) 0.000 5.145 ( 0.000 0.000 0.000) 0.000 5.209 ( 0.000 0.000 0.000) 0.000 5.211 ( 0.000 0.000 0.000) 0.000 5.234 ( 0.000 0.000 0.000) 0.000 5.272 ( 0.000 0.000 0.000) 0.000 5.408 ( 0.000 0.000 0.000) 0.000 5.419 ( 0.000 0.000 0.000) 0.000 5.428 ( 0.000 0.000 0.000) 0.000 5.438 ( 0.000 0.000 0.000) 0.000 5.438 ( 0.000 0.000 0.000) 0.000 5.505 ( 0.000 0.000 0.000) 0.000 5.562 ( 0.000 0.000 0.000) 0.000 5.666 ( 0.000 0.000 0.000) 0.000 5.682 ( 0.000 0.000 0.000) 0.000 5.701 ( 0.000 0.000 0.000) 0.000 5.715 ( 0.000 0.000 0.000) 0.000 5.739 ( 0.000 0.000 0.000) 0.000 5.785 ( 0.000 0.000 0.000) 0.000 5.813 ( 0.000 0.000 0.000) 0.000 5.822 ( 0.000 0.000 0.000) 0.000 5.831 ( 0.000 0.000 0.000) 0.000 5.840 ( 0.000 0.000 0.000) 0.000 5.911 ( 0.000 0.000 0.000) 0.000 5.980 ( 0.000 0.000 0.000) 0.000 6.034 ( 0.000 0.000 0.000) 0.000 6.062 ( 0.000 0.000 0.000) 0.000 6.092 ( 0.000 0.000 0.000) 0.000 6.126 ( 0.000 0.000 0.000) 0.000 6.274 ( 0.000 0.000 0.000) 0.000 6.314 ( 0.000 0.000 0.000) 0.000 6.333 ( 0.000 0.000 0.000) 0.000 6.415 ( 0.000 0.000 0.000) 0.000 6.508 ( 0.000 0.000 0.000) 0.000 6.542 ( 0.000 0.000 0.000) 0.000 6.583 ( 0.000 0.000 0.000) 0.000 6.594 ( 0.000 0.000 0.000) 0.000 6.607 ( 0.000 0.000 0.000) 0.000 6.806 ( 0.000 0.000 0.000) 0.000 6.840 ( 0.000 0.000 0.000) 0.000 6.846 ( 0.000 0.000 0.000) 0.000 6.850 ( 0.000 0.000 0.000) 0.000 6.860 ( 0.000 0.000 0.000) 0.000 6.889 ( 0.000 0.000 0.000) 0.000 6.946 ( 0.000 0.000 0.000) 0.000 6.991 ( 0.000 0.000 0.000) 0.000 7.012 ( 0.000 0.000 0.000) 0.000 7.023 ( 0.000 0.000 0.000) 0.000 7.152 ( 0.000 0.000 0.000) 0.000 7.390 ( 0.000 0.000 0.000) 0.000 7.397 ( 0.000 0.000 0.000) 0.000 7.455 ( 0.000 0.000 0.000) 0.000 7.559 ( 0.000 0.000 0.000) 0.000 7.746 ( 0.000 0.000 0.000) 0.000 7.826 ( 0.000 0.000 0.000) 0.000 7.912 ( 0.000 0.000 0.000) 0.000 8.033 ( 0.000 0.000 0.000) 0.000 8.132 ( 0.000 0.000 0.000) 0.000 8.202 ( 0.000 0.000 0.000) 0.000 8.387 ( 0.000 0.000 0.000) 0.000 8.494 ( 0.000 0.000 0.000) 0.000 8.495 ( 0.000 0.000 0.000) 0.000 8.693 ( 0.000 0.000 0.000) 0.000 11.525 ( 0.000 0.000 0.000) 0.000 11.541 ( 0.000 0.000 0.000) 0.000 11.577 ( 0.000 0.000 0.000) 0.000 11.724 ( 0.000 0.000 0.000) 0.000 11.798 ( 0.000 0.000 0.000) 0.000 11.842 ( 0.000 0.000 0.000) 0.000 11.979 ( 0.000 0.000 0.000) 0.000 12.089 ( 0.000 0.000 0.000) 0.000 12.181 ( 0.000 0.000 0.000) 0.000 12.185 ( 0.000 0.000 0.000) 0.000 12.204 ( 0.000 0.000 0.000) 0.000 12.428 ( 0.000 0.000 0.000) 0.000 12.471 ( 0.000 0.000 0.000) 0.000 12.567 ( 0.000 0.000 0.000) 0.000 12.613 ( 0.000 0.000 0.000) 0.000 12.636 ( 0.000 0.000 0.000) 0.000 12.705 ( 0.000 0.000 0.000) 0.000 12.750 ( 0.000 0.000 0.000) 0.000 12.753 ( 0.000 0.000 0.000) 0.000 12.754 ( 0.000 0.000 0.000) 0.000 12.845 ( 0.000 0.000 0.000) 0.000 13.409 ( 0.000 0.000 0.000) 0.000 13.520 ( 0.000 0.000 0.000) 0.000 13.577 ( 0.000 0.000 0.000) 0.000 14.096 ( 0.000 0.000 0.000) 0.000 14.144 ( 0.000 0.000 0.000) 0.000 14.150 ( 0.000 0.000 0.000) 0.000 14.208 ( 0.000 0.000 0.000) 0.000 14.212 ( 0.000 0.000 0.000) 0.000 14.216 ( 0.000 0.000 0.000) 0.000 14.254 ( 0.000 0.000 0.000) 0.000 14.263 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/24) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.167 ( 6.881 0.000 0.000) 6.881 0.231 ( 11.276 0.000 0.000) 11.276 0.455 ( 20.738 0.000 0.000) 20.738 0.817 ( -0.943 0.000 0.000) 0.943 0.827 ( 1.895 0.000 0.000) 1.895 0.892 ( 6.172 0.000 0.000) 6.172 0.927 ( 9.639 0.000 0.000) 9.639 1.089 ( 4.591 0.000 0.000) 4.591 1.123 ( -5.821 0.000 0.000) 5.821 1.180 ( -3.575 0.000 0.000) 3.575 1.188 ( 2.150 0.000 0.000) 2.150 1.226 ( -2.549 0.000 0.000) 2.549 1.298 ( -3.926 0.000 0.000) 3.926 1.340 ( -3.576 0.000 0.000) 3.576 1.388 ( -0.314 0.000 0.000) 0.314 1.407 ( -1.492 0.000 0.000) 1.492 1.472 ( 0.626 0.000 0.000) 0.626 1.473 ( -1.895 0.000 0.000) 1.895 1.507 ( 0.747 0.000 0.000) 0.747 1.562 ( -4.731 0.000 0.000) 4.731 1.563 ( -4.105 0.000 0.000) 4.105 1.569 ( -2.239 0.000 0.000) 2.239 1.573 ( -2.359 0.000 0.000) 2.359 1.614 ( 8.476 0.000 0.000) 8.476 1.619 ( -0.738 0.000 0.000) 0.738 1.625 ( 0.807 0.000 0.000) 0.807 1.672 ( -1.588 0.000 0.000) 1.588 1.715 ( 1.532 0.000 0.000) 1.532 1.721 ( 0.719 0.000 0.000) 0.719 1.753 ( 2.257 0.000 0.000) 2.257 1.772 ( 0.427 0.000 0.000) 0.427 1.773 ( 0.378 0.000 0.000) 0.378 1.787 ( -1.648 0.000 0.000) 1.648 1.815 ( -2.590 0.000 0.000) 2.590 1.842 ( -1.516 0.000 0.000) 1.516 1.869 ( -1.719 0.000 0.000) 1.719 1.884 ( -2.391 0.000 0.000) 2.391 1.923 ( -0.389 0.000 0.000) 0.389 1.949 ( 1.123 0.000 0.000) 1.123 1.988 ( -0.075 0.000 0.000) 0.075 2.007 ( 0.299 0.000 0.000) 0.299 2.007 ( 0.682 0.000 0.000) 0.682 2.061 ( -0.846 0.000 0.000) 0.846 2.069 ( -3.428 0.000 0.000) 3.428 2.111 ( -3.945 0.000 0.000) 3.945 2.149 ( -1.597 0.000 0.000) 1.597 2.157 ( -3.010 0.000 0.000) 3.010 2.203 ( -4.592 0.000 0.000) 4.592 2.215 ( -2.729 0.000 0.000) 2.729 2.264 ( -3.317 0.000 0.000) 3.317 2.289 ( 7.567 0.000 0.000) 7.567 2.321 ( -2.384 0.000 0.000) 2.384 2.358 ( -3.592 0.000 0.000) 3.592 2.369 ( -2.801 0.000 0.000) 2.801 2.371 ( -7.512 0.000 0.000) 7.512 2.477 ( -1.527 0.000 0.000) 1.527 2.480 ( 1.808 0.000 0.000) 1.808 2.490 ( 0.374 0.000 0.000) 0.374 2.530 ( -1.951 0.000 0.000) 1.951 2.551 ( -2.006 0.000 0.000) 2.006 2.602 ( -4.695 0.000 0.000) 4.695 2.657 ( 0.729 0.000 0.000) 0.729 2.690 ( 2.990 0.000 0.000) 2.990 2.727 ( 2.455 0.000 0.000) 2.455 2.728 ( 2.605 0.000 0.000) 2.605 2.788 ( 0.366 0.000 0.000) 0.366 2.788 ( 1.068 0.000 0.000) 1.068 2.799 ( 1.765 0.000 0.000) 1.765 2.868 ( 2.642 0.000 0.000) 2.642 2.894 ( 4.112 0.000 0.000) 4.112 2.908 ( 1.674 0.000 0.000) 1.674 2.914 ( -1.082 0.000 0.000) 1.082 2.926 ( -1.807 0.000 0.000) 1.807 3.007 ( -2.716 0.000 0.000) 2.716 3.031 ( 4.208 0.000 0.000) 4.208 3.060 ( 0.778 0.000 0.000) 0.778 3.215 ( 0.750 0.000 0.000) 0.750 3.227 ( -0.376 0.000 0.000) 0.376 3.258 ( 5.924 0.000 0.000) 5.924 3.265 ( 3.015 0.000 0.000) 3.015 3.314 ( 4.462 0.000 0.000) 4.462 3.361 ( -3.489 0.000 0.000) 3.489 3.405 ( 0.683 0.000 0.000) 0.683 3.428 ( 3.726 0.000 0.000) 3.726 3.433 ( -1.871 0.000 0.000) 1.871 3.496 ( -4.052 0.000 0.000) 4.052 3.507 ( 2.223 0.000 0.000) 2.223 3.565 ( 2.669 0.000 0.000) 2.669 3.588 ( -10.524 0.000 0.000) 10.524 3.607 ( 5.533 0.000 0.000) 5.533 3.621 ( 0.182 0.000 0.000) 0.182 3.656 ( 0.283 0.000 0.000) 0.283 3.713 ( -3.879 0.000 0.000) 3.879 3.783 ( 2.285 0.000 0.000) 2.285 3.814 ( -2.602 0.000 0.000) 2.602 3.873 ( -1.564 0.000 0.000) 1.564 3.938 ( -5.759 0.000 0.000) 5.759 3.965 ( -1.357 0.000 0.000) 1.357 4.023 ( -3.466 0.000 0.000) 3.466 4.072 ( 0.991 0.000 0.000) 0.991 4.084 ( -2.040 0.000 0.000) 2.040 4.104 ( 0.385 0.000 0.000) 0.385 4.156 ( -2.860 0.000 0.000) 2.860 4.164 ( 3.822 0.000 0.000) 3.822 4.170 ( 0.918 0.000 0.000) 0.918 4.178 ( -2.695 0.000 0.000) 2.695 4.224 ( -1.881 0.000 0.000) 1.881 4.226 ( 2.159 0.000 0.000) 2.159 4.239 ( 2.040 0.000 0.000) 2.040 4.261 ( 4.574 0.000 0.000) 4.574 4.343 ( 0.311 0.000 0.000) 0.311 4.354 ( -1.594 0.000 0.000) 1.594 4.380 ( -2.585 0.000 0.000) 2.585 4.417 ( -0.386 0.000 0.000) 0.386 4.455 ( -2.541 0.000 0.000) 2.541 4.497 ( 2.496 0.000 0.000) 2.496 4.507 ( -4.320 0.000 0.000) 4.320 4.549 ( 3.598 0.000 0.000) 3.598 4.578 ( 1.773 0.000 0.000) 1.773 4.589 ( -0.681 0.000 0.000) 0.681 4.606 ( -3.992 0.000 0.000) 3.992 4.639 ( 0.984 0.000 0.000) 0.984 4.642 ( 2.369 0.000 0.000) 2.369 4.684 ( -1.360 0.000 0.000) 1.360 4.705 ( 2.578 0.000 0.000) 2.578 4.731 ( 1.110 0.000 0.000) 1.110 4.734 ( 0.344 0.000 0.000) 0.344 4.788 ( -0.741 0.000 0.000) 0.741 4.849 ( -0.269 0.000 0.000) 0.269 4.874 ( 1.154 0.000 0.000) 1.154 4.890 ( -1.834 0.000 0.000) 1.834 4.905 ( 3.700 0.000 0.000) 3.700 4.922 ( 0.400 0.000 0.000) 0.400 4.926 ( -3.832 0.000 0.000) 3.832 4.946 ( 0.929 0.000 0.000) 0.929 4.958 ( -2.586 0.000 0.000) 2.586 4.990 ( -0.998 0.000 0.000) 0.998 5.000 ( -0.169 0.000 0.000) 0.169 5.017 ( -1.935 0.000 0.000) 1.935 5.019 ( -0.412 0.000 0.000) 0.412 5.048 ( 0.617 0.000 0.000) 0.617 5.065 ( 1.831 0.000 0.000) 1.831 5.068 ( -0.549 0.000 0.000) 0.549 5.086 ( -0.005 0.000 0.000) 0.005 5.106 ( -1.714 0.000 0.000) 1.714 5.175 ( -2.044 0.000 0.000) 2.044 5.207 ( 4.616 0.000 0.000) 4.616 5.241 ( 0.842 0.000 0.000) 0.842 5.245 ( 6.932 0.000 0.000) 6.932 5.303 ( 5.639 0.000 0.000) 5.639 5.323 ( 3.473 0.000 0.000) 3.473 5.389 ( -1.239 0.000 0.000) 1.239 5.440 ( -1.012 0.000 0.000) 1.012 5.440 ( 0.594 0.000 0.000) 0.594 5.457 ( 1.996 0.000 0.000) 1.996 5.487 ( 3.532 0.000 0.000) 3.532 5.499 ( -0.448 0.000 0.000) 0.448 5.580 ( 1.847 0.000 0.000) 1.847 5.649 ( -0.508 0.000 0.000) 0.508 5.683 ( -2.004 0.000 0.000) 2.004 5.706 ( 1.933 0.000 0.000) 1.933 5.743 ( 1.440 0.000 0.000) 1.440 5.746 ( 0.452 0.000 0.000) 0.452 5.787 ( -2.815 0.000 0.000) 2.815 5.813 ( 0.335 0.000 0.000) 0.335 5.826 ( 3.510 0.000 0.000) 3.510 5.861 ( 1.863 0.000 0.000) 1.863 5.902 ( 6.695 0.000 0.000) 6.695 5.953 ( 3.939 0.000 0.000) 3.939 5.987 ( -2.970 0.000 0.000) 2.970 6.044 ( 4.832 0.000 0.000) 4.832 6.089 ( 1.103 0.000 0.000) 1.103 6.147 ( 4.577 0.000 0.000) 4.577 6.180 ( 2.859 0.000 0.000) 2.859 6.338 ( 2.923 0.000 0.000) 2.923 6.339 ( 1.946 0.000 0.000) 1.946 6.377 ( -4.170 0.000 0.000) 4.170 6.480 ( -1.248 0.000 0.000) 1.248 6.481 ( 5.348 0.000 0.000) 5.348 6.615 ( 3.694 0.000 0.000) 3.694 6.616 ( 3.026 0.000 0.000) 3.026 6.639 ( 5.266 0.000 0.000) 5.266 6.772 ( -1.786 0.000 0.000) 1.786 6.836 ( 2.865 0.000 0.000) 2.865 6.874 ( 1.951 0.000 0.000) 1.951 6.887 ( -0.113 0.000 0.000) 0.113 6.897 ( -0.082 0.000 0.000) 0.082 6.943 ( 4.611 0.000 0.000) 4.611 6.960 ( 4.164 0.000 0.000) 4.164 6.969 ( -0.428 0.000 0.000) 0.428 7.005 ( 1.797 0.000 0.000) 1.797 7.113 ( 5.045 0.000 0.000) 5.045 7.160 ( 0.562 0.000 0.000) 0.562 7.375 ( -2.175 0.000 0.000) 2.175 7.399 ( 1.057 0.000 0.000) 1.057 7.451 ( -0.543 0.000 0.000) 0.543 7.554 ( -0.136 0.000 0.000) 0.136 7.723 ( -5.538 0.000 0.000) 5.538 7.726 ( -1.695 0.000 0.000) 1.695 7.763 ( -5.834 0.000 0.000) 5.834 7.854 ( -5.544 0.000 0.000) 5.544 8.005 ( -2.528 0.000 0.000) 2.528 8.089 ( -3.898 0.000 0.000) 3.898 8.253 ( -11.092 0.000 0.000) 11.092 8.411 ( -7.697 0.000 0.000) 7.697 8.430 ( -6.871 0.000 0.000) 6.871 8.569 ( -11.140 0.000 0.000) 11.140 8.891 ( -11.040 0.000 0.000) 11.040 11.537 ( 1.161 0.000 0.000) 1.161 11.556 ( 1.375 0.000 0.000) 1.375 11.607 ( 2.840 0.000 0.000) 2.840 11.733 ( 0.900 0.000 0.000) 0.900 11.798 ( -0.326 0.000 0.000) 0.326 11.844 ( -2.169 0.000 0.000) 2.169 11.951 ( -2.385 0.000 0.000) 2.385 12.111 ( 2.048 0.000 0.000) 2.048 12.195 ( 1.876 0.000 0.000) 1.876 12.214 ( 2.777 0.000 0.000) 2.777 12.252 ( 4.067 0.000 0.000) 4.067 12.412 ( -6.812 0.000 0.000) 6.812 12.475 ( -6.909 0.000 0.000) 6.909 12.491 ( 1.154 0.000 0.000) 1.154 12.538 ( -2.231 0.000 0.000) 2.231 12.620 ( -1.077 0.000 0.000) 1.077 12.748 ( -0.489 0.000 0.000) 0.489 12.757 ( 0.353 0.000 0.000) 0.353 12.802 ( -3.813 0.000 0.000) 3.813 12.832 ( -0.081 0.000 0.000) 0.081 13.253 ( -11.098 0.000 0.000) 11.098 13.351 ( -11.408 0.000 0.000) 11.408 13.468 ( -8.262 0.000 0.000) 8.262 13.730 ( -19.334 0.000 0.000) 19.334 14.102 ( 1.129 0.000 0.000) 1.129 14.191 ( 3.217 0.000 0.000) 3.217 14.198 ( -0.826 0.000 0.000) 0.826 14.203 ( -0.031 0.000 0.000) 0.031 14.213 ( 0.067 0.000 0.000) 0.067 14.272 ( 1.370 0.000 0.000) 1.370 14.279 ( 1.420 0.000 0.000) 1.420 14.330 ( 6.500 0.000 0.000) 6.500 ======================= Grid point 2 (3/24) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.303 ( 7.394 0.000 0.000) 7.394 0.467 ( 11.359 0.000 0.000) 11.359 0.790 ( 9.927 0.000 0.000) 9.927 0.861 ( 4.425 0.000 0.000) 4.425 0.882 ( 3.476 0.000 0.000) 3.476 0.949 ( -9.150 0.000 0.000) 9.150 1.017 ( -3.080 0.000 0.000) 3.080 1.025 ( 3.584 0.000 0.000) 3.584 1.131 ( -7.890 0.000 0.000) 7.890 1.188 ( -2.485 0.000 0.000) 2.485 1.193 ( 5.277 0.000 0.000) 5.277 1.221 ( 0.982 0.000 0.000) 0.982 1.245 ( 8.232 0.000 0.000) 8.232 1.293 ( 0.464 0.000 0.000) 0.464 1.360 ( -1.695 0.000 0.000) 1.695 1.379 ( -0.278 0.000 0.000) 0.278 1.432 ( -2.609 0.000 0.000) 2.609 1.447 ( -0.887 0.000 0.000) 0.887 1.448 ( -6.260 0.000 0.000) 6.260 1.475 ( -3.434 0.000 0.000) 3.434 1.486 ( -1.972 0.000 0.000) 1.972 1.506 ( -1.116 0.000 0.000) 1.116 1.564 ( -0.021 0.000 0.000) 0.021 1.608 ( -3.466 0.000 0.000) 3.466 1.617 ( 0.540 0.000 0.000) 0.540 1.675 ( 0.338 0.000 0.000) 0.338 1.697 ( -4.610 0.000 0.000) 4.610 1.730 ( 0.066 0.000 0.000) 0.066 1.751 ( 1.183 0.000 0.000) 1.183 1.771 ( -0.322 0.000 0.000) 0.322 1.775 ( -3.354 0.000 0.000) 3.354 1.777 ( -0.893 0.000 0.000) 0.893 1.783 ( 0.333 0.000 0.000) 0.333 1.811 ( -2.314 0.000 0.000) 2.314 1.821 ( -1.068 0.000 0.000) 1.068 1.830 ( 8.919 0.000 0.000) 8.919 1.851 ( 1.207 0.000 0.000) 1.207 1.905 ( -1.279 0.000 0.000) 1.279 1.940 ( -1.285 0.000 0.000) 1.285 1.963 ( -1.094 0.000 0.000) 1.094 1.985 ( -2.940 0.000 0.000) 2.940 1.997 ( -3.642 0.000 0.000) 3.642 2.020 ( -3.749 0.000 0.000) 3.749 2.023 ( -4.187 0.000 0.000) 4.187 2.066 ( 3.852 0.000 0.000) 3.852 2.103 ( -4.552 0.000 0.000) 4.552 2.112 ( -0.953 0.000 0.000) 0.953 2.117 ( -2.650 0.000 0.000) 2.650 2.187 ( -3.530 0.000 0.000) 3.530 2.218 ( 4.017 0.000 0.000) 4.017 2.248 ( -1.096 0.000 0.000) 1.096 2.258 ( -2.565 0.000 0.000) 2.565 2.270 ( -3.840 0.000 0.000) 3.840 2.310 ( -2.863 0.000 0.000) 2.863 2.424 ( 1.898 0.000 0.000) 1.898 2.451 ( -1.120 0.000 0.000) 1.120 2.471 ( 0.323 0.000 0.000) 0.323 2.477 ( -0.706 0.000 0.000) 0.706 2.504 ( -0.922 0.000 0.000) 0.922 2.534 ( -0.926 0.000 0.000) 0.926 2.551 ( 2.681 0.000 0.000) 2.681 2.670 ( -0.477 0.000 0.000) 0.477 2.709 ( -1.650 0.000 0.000) 1.650 2.730 ( -5.124 0.000 0.000) 5.124 2.730 ( -0.560 0.000 0.000) 0.560 2.755 ( -0.466 0.000 0.000) 0.466 2.807 ( 1.088 0.000 0.000) 1.088 2.850 ( -3.200 0.000 0.000) 3.200 2.864 ( 4.013 0.000 0.000) 4.013 2.899 ( -1.018 0.000 0.000) 1.018 2.901 ( -4.000 0.000 0.000) 4.000 2.953 ( -0.633 0.000 0.000) 0.633 3.013 ( 5.348 0.000 0.000) 5.348 3.027 ( 7.096 0.000 0.000) 7.096 3.087 ( 1.025 0.000 0.000) 1.025 3.128 ( 5.029 0.000 0.000) 5.029 3.167 ( -3.430 0.000 0.000) 3.430 3.225 ( 1.390 0.000 0.000) 1.390 3.321 ( 2.762 0.000 0.000) 2.762 3.341 ( 1.968 0.000 0.000) 1.968 3.343 ( -1.380 0.000 0.000) 1.380 3.397 ( 0.254 0.000 0.000) 0.254 3.422 ( -1.441 0.000 0.000) 1.441 3.428 ( 5.916 0.000 0.000) 5.916 3.439 ( -1.111 0.000 0.000) 1.111 3.514 ( 7.155 0.000 0.000) 7.155 3.530 ( 4.667 0.000 0.000) 4.667 3.571 ( 3.842 0.000 0.000) 3.842 3.606 ( 1.144 0.000 0.000) 1.144 3.634 ( -2.830 0.000 0.000) 2.830 3.635 ( -3.941 0.000 0.000) 3.941 3.661 ( 4.651 0.000 0.000) 4.651 3.751 ( 7.491 0.000 0.000) 7.491 3.766 ( -1.731 0.000 0.000) 1.731 3.822 ( -4.144 0.000 0.000) 4.144 3.829 ( 2.390 0.000 0.000) 2.390 3.833 ( -1.709 0.000 0.000) 1.709 3.901 ( -4.662 0.000 0.000) 4.662 3.950 ( -3.334 0.000 0.000) 3.334 4.028 ( -2.888 0.000 0.000) 2.888 4.049 ( -0.434 0.000 0.000) 0.434 4.060 ( -6.585 0.000 0.000) 6.585 4.082 ( -2.240 0.000 0.000) 2.240 4.139 ( -6.234 0.000 0.000) 6.234 4.173 ( -1.536 0.000 0.000) 1.536 4.222 ( 4.572 0.000 0.000) 4.572 4.230 ( -0.959 0.000 0.000) 0.959 4.256 ( 3.316 0.000 0.000) 3.316 4.280 ( 2.834 0.000 0.000) 2.834 4.320 ( -1.909 0.000 0.000) 1.909 4.331 ( -1.650 0.000 0.000) 1.650 4.337 ( 2.201 0.000 0.000) 2.201 4.368 ( 3.090 0.000 0.000) 3.090 4.414 ( -1.788 0.000 0.000) 1.788 4.419 ( 0.244 0.000 0.000) 0.244 4.427 ( -3.827 0.000 0.000) 3.827 4.509 ( -4.996 0.000 0.000) 4.996 4.529 ( 1.038 0.000 0.000) 1.038 4.594 ( 0.745 0.000 0.000) 0.745 4.598 ( 0.270 0.000 0.000) 0.270 4.631 ( -3.413 0.000 0.000) 3.413 4.647 ( 5.391 0.000 0.000) 5.391 4.664 ( 1.022 0.000 0.000) 1.022 4.694 ( -0.354 0.000 0.000) 0.354 4.730 ( 1.895 0.000 0.000) 1.895 4.748 ( -2.505 0.000 0.000) 2.505 4.751 ( 4.340 0.000 0.000) 4.340 4.784 ( 2.514 0.000 0.000) 2.514 4.796 ( -4.036 0.000 0.000) 4.036 4.844 ( -4.534 0.000 0.000) 4.534 4.860 ( -2.332 0.000 0.000) 2.332 4.879 ( -1.134 0.000 0.000) 1.134 4.882 ( -3.379 0.000 0.000) 3.379 4.914 ( -3.532 0.000 0.000) 3.532 4.939 ( 1.627 0.000 0.000) 1.627 4.952 ( 0.168 0.000 0.000) 0.168 4.985 ( -1.454 0.000 0.000) 1.454 5.001 ( 1.432 0.000 0.000) 1.432 5.009 ( -0.509 0.000 0.000) 0.509 5.032 ( -2.390 0.000 0.000) 2.390 5.072 ( 6.007 0.000 0.000) 6.007 5.072 ( 1.435 0.000 0.000) 1.435 5.094 ( 0.770 0.000 0.000) 0.770 5.100 ( 1.069 0.000 0.000) 1.069 5.102 ( 1.722 0.000 0.000) 1.722 5.143 ( -1.186 0.000 0.000) 1.186 5.261 ( -1.047 0.000 0.000) 1.047 5.277 ( 1.537 0.000 0.000) 1.537 5.358 ( -0.557 0.000 0.000) 0.557 5.378 ( 1.056 0.000 0.000) 1.056 5.391 ( 6.223 0.000 0.000) 6.223 5.400 ( 4.319 0.000 0.000) 4.319 5.439 ( 1.841 0.000 0.000) 1.841 5.485 ( 3.225 0.000 0.000) 3.225 5.500 ( 1.249 0.000 0.000) 1.249 5.500 ( 2.065 0.000 0.000) 2.065 5.541 ( 1.719 0.000 0.000) 1.719 5.622 ( -3.620 0.000 0.000) 3.620 5.632 ( 2.402 0.000 0.000) 2.402 5.646 ( 0.068 0.000 0.000) 0.068 5.730 ( -2.568 0.000 0.000) 2.568 5.748 ( 1.913 0.000 0.000) 1.913 5.763 ( 0.967 0.000 0.000) 0.967 5.781 ( 2.400 0.000 0.000) 2.400 5.834 ( 1.546 0.000 0.000) 1.546 5.849 ( -3.045 0.000 0.000) 3.045 5.905 ( 2.040 0.000 0.000) 2.040 5.958 ( 1.247 0.000 0.000) 1.247 6.036 ( 1.648 0.000 0.000) 1.648 6.073 ( 6.143 0.000 0.000) 6.143 6.101 ( -0.293 0.000 0.000) 0.293 6.117 ( 4.418 0.000 0.000) 4.418 6.203 ( 3.159 0.000 0.000) 3.159 6.248 ( 4.399 0.000 0.000) 4.399 6.302 ( -3.128 0.000 0.000) 3.128 6.443 ( 6.893 0.000 0.000) 6.893 6.459 ( 8.049 0.000 0.000) 8.049 6.500 ( 2.941 0.000 0.000) 2.941 6.600 ( 5.764 0.000 0.000) 5.764 6.662 ( 1.019 0.000 0.000) 1.019 6.740 ( 8.611 0.000 0.000) 8.611 6.754 ( -0.165 0.000 0.000) 0.165 6.778 ( 6.488 0.000 0.000) 6.488 6.825 ( -4.747 0.000 0.000) 4.747 6.897 ( 2.251 0.000 0.000) 2.251 6.912 ( 2.276 0.000 0.000) 2.276 6.925 ( 4.122 0.000 0.000) 4.122 6.990 ( 1.558 0.000 0.000) 1.558 6.994 ( -0.374 0.000 0.000) 0.374 7.072 ( 4.826 0.000 0.000) 4.826 7.085 ( 5.999 0.000 0.000) 5.999 7.162 ( -0.688 0.000 0.000) 0.688 7.217 ( 4.762 0.000 0.000) 4.762 7.308 ( -4.119 0.000 0.000) 4.119 7.429 ( -1.536 0.000 0.000) 1.536 7.447 ( 3.930 0.000 0.000) 3.930 7.548 ( -11.153 0.000 0.000) 11.153 7.576 ( 3.032 0.000 0.000) 3.032 7.605 ( -8.822 0.000 0.000) 8.822 7.690 ( -9.748 0.000 0.000) 9.748 7.698 ( 0.087 0.000 0.000) 0.087 7.941 ( -3.260 0.000 0.000) 3.260 7.988 ( -13.374 0.000 0.000) 13.374 7.992 ( -4.558 0.000 0.000) 4.558 8.202 ( -11.436 0.000 0.000) 11.436 8.215 ( -13.163 0.000 0.000) 13.163 8.290 ( -14.116 0.000 0.000) 14.116 8.574 ( -18.664 0.000 0.000) 18.664 11.574 ( 2.326 0.000 0.000) 2.326 11.596 ( 2.470 0.000 0.000) 2.470 11.688 ( 4.634 0.000 0.000) 4.634 11.760 ( 1.799 0.000 0.000) 1.799 11.775 ( -1.974 0.000 0.000) 1.974 11.784 ( -3.421 0.000 0.000) 3.421 11.892 ( -3.098 0.000 0.000) 3.098 12.168 ( -11.060 0.000 0.000) 11.060 12.174 ( 4.021 0.000 0.000) 4.021 12.266 ( 4.892 0.000 0.000) 4.892 12.300 ( 5.447 0.000 0.000) 5.447 12.367 ( 6.998 0.000 0.000) 6.998 12.463 ( 0.385 0.000 0.000) 0.385 12.483 ( -2.489 0.000 0.000) 2.489 12.502 ( -0.772 0.000 0.000) 0.772 12.611 ( 0.488 0.000 0.000) 0.488 12.707 ( -4.945 0.000 0.000) 4.945 12.742 ( 0.356 0.000 0.000) 0.356 12.759 ( -6.090 0.000 0.000) 6.090 12.776 ( 1.815 0.000 0.000) 1.815 13.006 ( -12.099 0.000 0.000) 12.099 13.060 ( -15.058 0.000 0.000) 15.058 13.213 ( -14.263 0.000 0.000) 14.263 13.337 ( -17.498 0.000 0.000) 17.498 14.117 ( 0.242 0.000 0.000) 0.242 14.175 ( -1.384 0.000 0.000) 1.384 14.202 ( -0.007 0.000 0.000) 0.007 14.212 ( -0.130 0.000 0.000) 0.130 14.265 ( 3.179 0.000 0.000) 3.179 14.299 ( 1.059 0.000 0.000) 1.059 14.316 ( 2.107 0.000 0.000) 2.107 14.406 ( 1.271 0.000 0.000) 1.271 ======================= Grid point 3 (4/24) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( 11.512 0.000 0.000) 11.512 0.693 ( 10.069 0.000 0.000) 10.069 0.749 ( -11.235 0.000 0.000) 11.235 0.850 ( -3.433 0.000 0.000) 3.433 0.942 ( 2.276 0.000 0.000) 2.276 0.949 ( -1.616 0.000 0.000) 1.616 0.973 ( 5.194 0.000 0.000) 5.194 0.981 ( -3.710 0.000 0.000) 3.710 0.987 ( -4.059 0.000 0.000) 4.059 1.093 ( -5.828 0.000 0.000) 5.828 1.271 ( 5.612 0.000 0.000) 5.612 1.286 ( -0.502 0.000 0.000) 0.502 1.323 ( -3.451 0.000 0.000) 3.451 1.352 ( -0.158 0.000 0.000) 0.158 1.367 ( -1.640 0.000 0.000) 1.640 1.369 ( 9.924 0.000 0.000) 9.924 1.408 ( -4.701 0.000 0.000) 4.701 1.426 ( 0.089 0.000 0.000) 0.089 1.437 ( 1.265 0.000 0.000) 1.265 1.455 ( -1.463 0.000 0.000) 1.463 1.463 ( 5.900 0.000 0.000) 5.900 1.490 ( -1.592 0.000 0.000) 1.592 1.531 ( 2.959 0.000 0.000) 2.959 1.600 ( -2.050 0.000 0.000) 2.050 1.611 ( 1.129 0.000 0.000) 1.129 1.612 ( -7.460 0.000 0.000) 7.460 1.619 ( -1.428 0.000 0.000) 1.428 1.672 ( -1.664 0.000 0.000) 1.664 1.707 ( -3.129 0.000 0.000) 3.129 1.737 ( -3.215 0.000 0.000) 3.215 1.756 ( 0.553 0.000 0.000) 0.553 1.771 ( 0.231 0.000 0.000) 0.231 1.793 ( 0.507 0.000 0.000) 0.507 1.795 ( 0.726 0.000 0.000) 0.726 1.842 ( 2.458 0.000 0.000) 2.458 1.883 ( -0.331 0.000 0.000) 0.331 1.902 ( 3.386 0.000 0.000) 3.386 1.905 ( -3.405 0.000 0.000) 3.405 1.910 ( -1.888 0.000 0.000) 1.888 1.922 ( -0.004 0.000 0.000) 0.004 1.924 ( -1.418 0.000 0.000) 1.418 1.939 ( -2.971 0.000 0.000) 2.971 1.947 ( -2.726 0.000 0.000) 2.726 1.986 ( -3.788 0.000 0.000) 3.788 2.038 ( 4.376 0.000 0.000) 4.376 2.096 ( 0.119 0.000 0.000) 0.119 2.104 ( -0.371 0.000 0.000) 0.371 2.116 ( -0.458 0.000 0.000) 0.458 2.153 ( 0.505 0.000 0.000) 0.505 2.188 ( -3.458 0.000 0.000) 3.458 2.233 ( -0.113 0.000 0.000) 0.113 2.246 ( -1.389 0.000 0.000) 1.389 2.285 ( 2.888 0.000 0.000) 2.888 2.353 ( -3.846 0.000 0.000) 3.846 2.363 ( 7.237 0.000 0.000) 7.237 2.465 ( -1.655 0.000 0.000) 1.655 2.488 ( 1.643 0.000 0.000) 1.643 2.501 ( 1.439 0.000 0.000) 1.439 2.530 ( 1.005 0.000 0.000) 1.005 2.574 ( 6.414 0.000 0.000) 6.414 2.604 ( -6.164 0.000 0.000) 6.164 2.608 ( 2.146 0.000 0.000) 2.146 2.635 ( -2.002 0.000 0.000) 2.002 2.668 ( -0.891 0.000 0.000) 0.891 2.709 ( -3.303 0.000 0.000) 3.303 2.729 ( -7.681 0.000 0.000) 7.681 2.741 ( 1.810 0.000 0.000) 1.810 2.804 ( -4.113 0.000 0.000) 4.113 2.835 ( 1.326 0.000 0.000) 1.326 2.866 ( -1.795 0.000 0.000) 1.795 2.926 ( 1.919 0.000 0.000) 1.919 2.949 ( -0.434 0.000 0.000) 0.434 3.081 ( 1.400 0.000 0.000) 1.400 3.092 ( -0.104 0.000 0.000) 0.104 3.131 ( 2.429 0.000 0.000) 2.429 3.144 ( 0.354 0.000 0.000) 0.354 3.232 ( 4.476 0.000 0.000) 4.476 3.284 ( 3.193 0.000 0.000) 3.193 3.290 ( -1.680 0.000 0.000) 1.680 3.334 ( -1.454 0.000 0.000) 1.454 3.385 ( 2.758 0.000 0.000) 2.758 3.426 ( -0.918 0.000 0.000) 0.918 3.468 ( 4.651 0.000 0.000) 4.651 3.489 ( 3.121 0.000 0.000) 3.121 3.501 ( 0.055 0.000 0.000) 0.055 3.554 ( -4.115 0.000 0.000) 4.115 3.562 ( -1.496 0.000 0.000) 1.496 3.579 ( 1.492 0.000 0.000) 1.492 3.649 ( 5.346 0.000 0.000) 5.346 3.660 ( 2.888 0.000 0.000) 2.888 3.670 ( 6.265 0.000 0.000) 6.265 3.729 ( -2.358 0.000 0.000) 2.358 3.776 ( -1.925 0.000 0.000) 1.925 3.779 ( -6.722 0.000 0.000) 6.722 3.798 ( 8.271 0.000 0.000) 8.271 3.838 ( 1.255 0.000 0.000) 1.255 3.846 ( 3.315 0.000 0.000) 3.315 3.889 ( -2.571 0.000 0.000) 2.571 3.893 ( 3.206 0.000 0.000) 3.206 3.902 ( -7.046 0.000 0.000) 7.046 3.990 ( -7.213 0.000 0.000) 7.213 3.994 ( -6.771 0.000 0.000) 6.771 4.016 ( 2.396 0.000 0.000) 2.396 4.102 ( -4.416 0.000 0.000) 4.416 4.131 ( 8.308 0.000 0.000) 8.308 4.233 ( 1.187 0.000 0.000) 1.187 4.273 ( -2.297 0.000 0.000) 2.297 4.289 ( -4.330 0.000 0.000) 4.330 4.297 ( 1.812 0.000 0.000) 1.812 4.312 ( 3.388 0.000 0.000) 3.388 4.340 ( -2.305 0.000 0.000) 2.305 4.341 ( 1.255 0.000 0.000) 1.255 4.353 ( -0.551 0.000 0.000) 0.551 4.384 ( -0.708 0.000 0.000) 0.708 4.398 ( -1.795 0.000 0.000) 1.795 4.408 ( -4.429 0.000 0.000) 4.429 4.474 ( 5.463 0.000 0.000) 5.463 4.557 ( -3.488 0.000 0.000) 3.488 4.566 ( 3.680 0.000 0.000) 3.680 4.601 ( 0.224 0.000 0.000) 0.224 4.606 ( 0.093 0.000 0.000) 0.093 4.690 ( -6.521 0.000 0.000) 6.521 4.695 ( 2.271 0.000 0.000) 2.271 4.709 ( 2.889 0.000 0.000) 2.889 4.716 ( -0.125 0.000 0.000) 0.125 4.748 ( -3.387 0.000 0.000) 3.387 4.757 ( 4.750 0.000 0.000) 4.750 4.761 ( -3.874 0.000 0.000) 3.874 4.765 ( 0.177 0.000 0.000) 0.177 4.812 ( -1.428 0.000 0.000) 1.428 4.818 ( -1.146 0.000 0.000) 1.146 4.836 ( -2.901 0.000 0.000) 2.901 4.858 ( 1.095 0.000 0.000) 1.095 4.893 ( 1.065 0.000 0.000) 1.065 4.948 ( 0.696 0.000 0.000) 0.696 4.962 ( 1.909 0.000 0.000) 1.909 4.979 ( -2.240 0.000 0.000) 2.240 4.982 ( 1.270 0.000 0.000) 1.270 4.999 ( -0.531 0.000 0.000) 0.531 5.018 ( -0.537 0.000 0.000) 0.537 5.109 ( 1.372 0.000 0.000) 1.372 5.111 ( 0.547 0.000 0.000) 0.547 5.113 ( 0.293 0.000 0.000) 0.293 5.118 ( 0.436 0.000 0.000) 0.436 5.126 ( -0.041 0.000 0.000) 0.041 5.176 ( -4.922 0.000 0.000) 4.922 5.208 ( 5.726 0.000 0.000) 5.726 5.308 ( -3.852 0.000 0.000) 3.852 5.320 ( 2.166 0.000 0.000) 2.166 5.363 ( -1.885 0.000 0.000) 1.885 5.458 ( 2.795 0.000 0.000) 2.795 5.511 ( 4.303 0.000 0.000) 4.303 5.519 ( 2.427 0.000 0.000) 2.427 5.520 ( -1.454 0.000 0.000) 1.454 5.551 ( -1.895 0.000 0.000) 1.895 5.559 ( -0.473 0.000 0.000) 0.473 5.570 ( 4.737 0.000 0.000) 4.737 5.580 ( 7.011 0.000 0.000) 7.011 5.652 ( -1.299 0.000 0.000) 1.299 5.653 ( 0.677 0.000 0.000) 0.677 5.676 ( -2.218 0.000 0.000) 2.218 5.725 ( -6.150 0.000 0.000) 6.150 5.782 ( 1.230 0.000 0.000) 1.230 5.794 ( -0.181 0.000 0.000) 0.181 5.832 ( 2.140 0.000 0.000) 2.140 5.858 ( 0.039 0.000 0.000) 0.039 5.940 ( 1.379 0.000 0.000) 1.379 5.966 ( -0.920 0.000 0.000) 0.920 6.014 ( -0.527 0.000 0.000) 0.527 6.053 ( -3.231 0.000 0.000) 3.231 6.145 ( 3.861 0.000 0.000) 3.861 6.227 ( -3.705 0.000 0.000) 3.705 6.261 ( 5.417 0.000 0.000) 5.417 6.311 ( 0.552 0.000 0.000) 0.552 6.375 ( 10.628 0.000 0.000) 10.628 6.533 ( -2.218 0.000 0.000) 2.218 6.589 ( 6.090 0.000 0.000) 6.090 6.607 ( 5.368 0.000 0.000) 5.368 6.665 ( -1.157 0.000 0.000) 1.157 6.705 ( -5.712 0.000 0.000) 5.712 6.722 ( 5.215 0.000 0.000) 5.215 6.755 ( 0.242 0.000 0.000) 0.242 6.833 ( 1.213 0.000 0.000) 1.213 6.925 ( -5.686 0.000 0.000) 5.686 6.942 ( 9.935 0.000 0.000) 9.935 6.982 ( 3.627 0.000 0.000) 3.627 6.992 ( 1.670 0.000 0.000) 1.670 7.019 ( 1.983 0.000 0.000) 1.983 7.043 ( 10.329 0.000 0.000) 10.329 7.094 ( -3.575 0.000 0.000) 3.575 7.124 ( -5.058 0.000 0.000) 5.058 7.235 ( 8.014 0.000 0.000) 8.014 7.251 ( 1.587 0.000 0.000) 1.587 7.289 ( -12.948 0.000 0.000) 12.948 7.293 ( 1.150 0.000 0.000) 1.150 7.400 ( 0.218 0.000 0.000) 0.218 7.414 ( -9.186 0.000 0.000) 9.186 7.494 ( -7.888 0.000 0.000) 7.888 7.565 ( 7.062 0.000 0.000) 7.062 7.687 ( 7.729 0.000 0.000) 7.729 7.737 ( -10.131 0.000 0.000) 10.131 7.812 ( 12.368 0.000 0.000) 12.368 7.903 ( 0.687 0.000 0.000) 0.687 7.922 ( -13.996 0.000 0.000) 13.996 7.940 ( 0.404 0.000 0.000) 0.404 7.991 ( -7.742 0.000 0.000) 7.742 8.038 ( -9.140 0.000 0.000) 9.140 8.162 ( -19.733 0.000 0.000) 19.733 11.633 ( 3.302 0.000 0.000) 3.302 11.655 ( 3.134 0.000 0.000) 3.134 11.707 ( -3.771 0.000 0.000) 3.771 11.721 ( -3.073 0.000 0.000) 3.073 11.773 ( 2.963 0.000 0.000) 2.963 11.830 ( -2.829 0.000 0.000) 2.829 11.830 ( 5.543 0.000 0.000) 5.543 11.973 ( -7.993 0.000 0.000) 7.993 12.274 ( 5.531 0.000 0.000) 5.531 12.387 ( 6.001 0.000 0.000) 6.001 12.393 ( -5.568 0.000 0.000) 5.568 12.439 ( 7.779 0.000 0.000) 7.779 12.460 ( -1.072 0.000 0.000) 1.072 12.501 ( 2.898 0.000 0.000) 2.898 12.553 ( 8.815 0.000 0.000) 8.815 12.595 ( -6.392 0.000 0.000) 6.392 12.610 ( -7.478 0.000 0.000) 7.478 12.650 ( 3.539 0.000 0.000) 3.539 12.766 ( -11.007 0.000 0.000) 11.007 12.784 ( -10.273 0.000 0.000) 10.273 12.784 ( 4.336 0.000 0.000) 4.336 12.851 ( 5.845 0.000 0.000) 5.845 12.941 ( -10.886 0.000 0.000) 10.886 13.031 ( -11.733 0.000 0.000) 11.733 14.123 ( 0.594 0.000 0.000) 0.594 14.145 ( -1.388 0.000 0.000) 1.388 14.204 ( 0.122 0.000 0.000) 0.122 14.208 ( -0.256 0.000 0.000) 0.256 14.308 ( 1.019 0.000 0.000) 1.019 14.313 ( 0.294 0.000 0.000) 0.294 14.362 ( 2.179 0.000 0.000) 2.179 14.401 ( -1.360 0.000 0.000) 1.360 ======================= Grid point 7 (5/24) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 12 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( 0.000 -17.685 0.000) 17.685 0.424 ( 0.000 17.685 0.000) 17.685 0.433 ( 0.000 -17.963 0.000) 17.963 0.433 ( 0.000 17.963 0.000) 17.963 0.847 ( 0.000 -32.903 0.000) 32.903 0.847 ( 0.000 32.903 0.000) 32.903 1.111 ( 0.000 -7.660 0.000) 7.660 1.111 ( 0.000 7.660 0.000) 7.660 1.117 ( 0.000 -9.990 0.000) 9.990 1.117 ( 0.000 9.990 0.000) 9.990 1.167 ( 0.000 -7.134 0.000) 7.134 1.167 ( 0.000 7.134 0.000) 7.134 1.267 ( 0.000 -3.543 0.000) 3.543 1.267 ( 0.000 3.543 0.000) 3.543 1.325 ( 0.000 -5.260 0.000) 5.260 1.325 ( 0.000 5.260 0.000) 5.260 1.470 ( 0.000 -3.465 0.000) 3.465 1.470 ( 0.000 3.465 0.000) 3.465 1.489 ( 0.000 -0.217 0.000) 0.217 1.489 ( 0.000 0.217 0.000) 0.217 1.604 ( 0.000 -0.280 0.000) 0.280 1.604 ( 0.000 0.280 0.000) 0.280 1.612 ( 0.000 -2.792 0.000) 2.792 1.612 ( 0.000 2.792 0.000) 2.792 1.667 ( 0.000 -1.487 0.000) 1.487 1.667 ( 0.000 1.487 0.000) 1.487 1.703 ( 0.000 -0.940 0.000) 0.940 1.703 ( 0.000 0.940 0.000) 0.940 1.750 ( 0.000 -2.197 0.000) 2.197 1.750 ( 0.000 2.197 0.000) 2.197 1.789 ( 0.000 -0.883 0.000) 0.883 1.789 ( 0.000 0.883 0.000) 0.883 1.839 ( 0.000 -0.971 0.000) 0.971 1.839 ( 0.000 0.971 0.000) 0.971 1.843 ( 0.000 -1.523 0.000) 1.523 1.843 ( 0.000 1.523 0.000) 1.523 1.917 ( 0.000 -0.377 0.000) 0.377 1.917 ( 0.000 0.377 0.000) 0.377 1.944 ( 0.000 -2.962 0.000) 2.962 1.944 ( 0.000 2.962 0.000) 2.962 1.999 ( 0.000 -4.668 0.000) 4.668 1.999 ( 0.000 4.668 0.000) 4.668 2.089 ( 0.000 -2.632 0.000) 2.632 2.089 ( 0.000 2.632 0.000) 2.632 2.118 ( 0.000 -4.156 0.000) 4.156 2.118 ( 0.000 4.156 0.000) 4.156 2.231 ( 0.000 -2.836 0.000) 2.836 2.231 ( 0.000 2.836 0.000) 2.836 2.319 ( 0.000 -4.126 0.000) 4.126 2.319 ( 0.000 4.126 0.000) 4.126 2.348 ( 0.000 -0.826 0.000) 0.826 2.348 ( 0.000 0.826 0.000) 0.826 2.401 ( 0.000 -10.876 0.000) 10.876 2.401 ( 0.000 10.876 0.000) 10.876 2.417 ( 0.000 -0.458 0.000) 0.458 2.417 ( 0.000 0.458 0.000) 0.458 2.533 ( 0.000 -1.884 0.000) 1.884 2.533 ( 0.000 1.884 0.000) 1.884 2.569 ( 0.000 -1.190 0.000) 1.190 2.569 ( 0.000 1.190 0.000) 1.190 2.664 ( 0.000 -1.355 0.000) 1.355 2.664 ( 0.000 1.355 0.000) 1.355 2.686 ( 0.000 -1.802 0.000) 1.802 2.686 ( 0.000 1.802 0.000) 1.802 2.704 ( 0.000 -11.102 0.000) 11.102 2.704 ( 0.000 11.102 0.000) 11.102 2.763 ( 0.000 -0.383 0.000) 0.383 2.763 ( 0.000 0.383 0.000) 0.383 2.811 ( 0.000 -1.197 0.000) 1.197 2.811 ( 0.000 1.197 0.000) 1.197 2.860 ( 0.000 -3.380 0.000) 3.380 2.860 ( 0.000 3.380 0.000) 3.380 3.050 ( 0.000 -0.697 0.000) 0.697 3.050 ( 0.000 0.697 0.000) 0.697 3.072 ( 0.000 -4.838 0.000) 4.838 3.072 ( 0.000 4.838 0.000) 4.838 3.150 ( 0.000 -4.715 0.000) 4.715 3.150 ( 0.000 4.715 0.000) 4.715 3.244 ( 0.000 -3.568 0.000) 3.568 3.244 ( 0.000 3.568 0.000) 3.568 3.337 ( 0.000 -0.075 0.000) 0.075 3.337 ( 0.000 0.075 0.000) 0.075 3.338 ( 0.000 -4.221 0.000) 4.221 3.338 ( 0.000 4.221 0.000) 4.221 3.444 ( 0.000 -1.840 0.000) 1.840 3.444 ( 0.000 1.840 0.000) 1.840 3.563 ( 0.000 -2.323 0.000) 2.323 3.563 ( 0.000 2.323 0.000) 2.323 3.628 ( 0.000 -4.027 0.000) 4.027 3.628 ( 0.000 4.027 0.000) 4.027 3.684 ( 0.000 -4.410 0.000) 4.410 3.684 ( 0.000 4.410 0.000) 4.410 3.755 ( 0.000 -1.786 0.000) 1.786 3.755 ( 0.000 1.786 0.000) 1.786 3.874 ( 0.000 -4.754 0.000) 4.754 3.874 ( 0.000 4.754 0.000) 4.754 3.971 ( 0.000 -4.903 0.000) 4.903 3.971 ( 0.000 4.903 0.000) 4.903 4.042 ( 0.000 -0.786 0.000) 0.786 4.042 ( 0.000 0.786 0.000) 0.786 4.114 ( 0.000 -0.337 0.000) 0.337 4.114 ( 0.000 0.337 0.000) 0.337 4.120 ( 0.000 -1.204 0.000) 1.204 4.120 ( 0.000 1.204 0.000) 1.204 4.170 ( 0.000 -0.284 0.000) 0.284 4.170 ( 0.000 0.284 0.000) 0.284 4.221 ( 0.000 -1.858 0.000) 1.858 4.221 ( 0.000 1.858 0.000) 1.858 4.245 ( 0.000 -2.895 0.000) 2.895 4.245 ( 0.000 2.895 0.000) 2.895 4.366 ( 0.000 -4.234 0.000) 4.234 4.366 ( 0.000 4.234 0.000) 4.234 4.459 ( 0.000 -3.297 0.000) 3.297 4.459 ( 0.000 3.297 0.000) 3.297 4.476 ( 0.000 -5.182 0.000) 5.182 4.476 ( 0.000 5.182 0.000) 5.182 4.526 ( 0.000 -0.494 0.000) 0.494 4.526 ( 0.000 0.494 0.000) 0.494 4.551 ( 0.000 -5.683 0.000) 5.683 4.551 ( 0.000 5.683 0.000) 5.683 4.653 ( 0.000 -2.174 0.000) 2.174 4.653 ( 0.000 2.174 0.000) 2.174 4.659 ( 0.000 -0.191 0.000) 0.191 4.659 ( 0.000 0.191 0.000) 0.191 4.672 ( 0.000 -1.261 0.000) 1.261 4.672 ( 0.000 1.261 0.000) 1.261 4.774 ( 0.000 -4.535 0.000) 4.535 4.774 ( 0.000 4.535 0.000) 4.535 4.832 ( 0.000 -3.075 0.000) 3.075 4.832 ( 0.000 3.075 0.000) 3.075 4.865 ( 0.000 -0.009 0.000) 0.009 4.865 ( 0.000 0.009 0.000) 0.009 4.959 ( 0.000 -1.813 0.000) 1.813 4.959 ( 0.000 1.813 0.000) 1.813 4.991 ( 0.000 -0.592 0.000) 0.592 4.991 ( 0.000 0.592 0.000) 0.592 4.995 ( 0.000 -0.874 0.000) 0.874 4.995 ( 0.000 0.874 0.000) 0.874 5.012 ( 0.000 -2.868 0.000) 2.868 5.012 ( 0.000 2.868 0.000) 2.868 5.017 ( 0.000 -0.208 0.000) 0.208 5.017 ( 0.000 0.208 0.000) 0.208 5.100 ( 0.000 -1.918 0.000) 1.918 5.100 ( 0.000 1.918 0.000) 1.918 5.135 ( 0.000 -1.682 0.000) 1.682 5.135 ( 0.000 1.682 0.000) 1.682 5.205 ( 0.000 -0.578 0.000) 0.578 5.205 ( 0.000 0.578 0.000) 0.578 5.228 ( 0.000 -3.338 0.000) 3.338 5.228 ( 0.000 3.338 0.000) 3.338 5.348 ( 0.000 -4.191 0.000) 4.191 5.348 ( 0.000 4.191 0.000) 4.191 5.377 ( 0.000 -0.477 0.000) 0.477 5.377 ( 0.000 0.477 0.000) 0.477 5.485 ( 0.000 -2.059 0.000) 2.059 5.485 ( 0.000 2.059 0.000) 2.059 5.519 ( 0.000 -3.155 0.000) 3.155 5.519 ( 0.000 3.155 0.000) 3.155 5.661 ( 0.000 -0.387 0.000) 0.387 5.661 ( 0.000 0.387 0.000) 0.387 5.697 ( 0.000 -0.389 0.000) 0.389 5.697 ( 0.000 0.389 0.000) 0.389 5.783 ( 0.000 -4.012 0.000) 4.012 5.783 ( 0.000 4.012 0.000) 4.012 5.826 ( 0.000 -3.967 0.000) 3.967 5.826 ( 0.000 3.967 0.000) 3.967 5.839 ( 0.000 -0.150 0.000) 0.150 5.839 ( 0.000 0.150 0.000) 0.150 5.932 ( 0.000 -6.334 0.000) 6.334 5.932 ( 0.000 6.334 0.000) 6.334 6.166 ( 0.000 -5.630 0.000) 5.630 6.166 ( 0.000 5.630 0.000) 5.630 6.174 ( 0.000 -4.073 0.000) 4.073 6.174 ( 0.000 4.073 0.000) 4.073 6.225 ( 0.000 -2.070 0.000) 2.070 6.225 ( 0.000 2.070 0.000) 2.070 6.495 ( 0.000 -0.211 0.000) 0.211 6.495 ( 0.000 0.211 0.000) 0.211 6.515 ( 0.000 -4.037 0.000) 4.037 6.515 ( 0.000 4.037 0.000) 4.037 6.616 ( 0.000 -2.643 0.000) 2.643 6.616 ( 0.000 2.643 0.000) 2.643 6.727 ( 0.000 -6.650 0.000) 6.650 6.727 ( 0.000 6.650 0.000) 6.650 6.845 ( 0.000 -1.622 0.000) 1.622 6.845 ( 0.000 1.622 0.000) 1.622 6.887 ( 0.000 -3.782 0.000) 3.782 6.887 ( 0.000 3.782 0.000) 3.782 6.973 ( 0.000 -3.269 0.000) 3.269 6.973 ( 0.000 3.269 0.000) 3.269 7.003 ( 0.000 -1.067 0.000) 1.067 7.003 ( 0.000 1.067 0.000) 1.067 7.248 ( 0.000 -7.975 0.000) 7.975 7.248 ( 0.000 7.975 0.000) 7.975 7.405 ( 0.000 -1.709 0.000) 1.709 7.405 ( 0.000 1.709 0.000) 1.709 7.662 ( 0.000 -5.711 0.000) 5.711 7.662 ( 0.000 5.711 0.000) 5.711 7.882 ( 0.000 -2.609 0.000) 2.609 7.882 ( 0.000 2.609 0.000) 2.609 8.089 ( 0.000 -3.217 0.000) 3.217 8.089 ( 0.000 3.217 0.000) 3.217 8.270 ( 0.000 -4.900 0.000) 4.900 8.270 ( 0.000 4.900 0.000) 4.900 8.440 ( 0.000 -3.595 0.000) 3.595 8.440 ( 0.000 3.595 0.000) 3.595 8.665 ( 0.000 -2.401 0.000) 2.401 8.665 ( 0.000 2.401 0.000) 2.401 11.528 ( 0.000 -0.323 0.000) 0.323 11.528 ( 0.000 0.323 0.000) 0.323 11.648 ( 0.000 -4.616 0.000) 4.616 11.648 ( 0.000 4.616 0.000) 4.616 11.819 ( 0.000 -1.471 0.000) 1.471 11.819 ( 0.000 1.471 0.000) 1.471 12.138 ( 0.000 -2.721 0.000) 2.721 12.138 ( 0.000 2.721 0.000) 2.721 12.200 ( 0.000 -0.383 0.000) 0.383 12.200 ( 0.000 0.383 0.000) 0.383 12.451 ( 0.000 -1.454 0.000) 1.454 12.451 ( 0.000 1.454 0.000) 1.454 12.599 ( 0.000 -2.283 0.000) 2.283 12.599 ( 0.000 2.283 0.000) 2.283 12.607 ( 0.000 -0.464 0.000) 0.464 12.607 ( 0.000 0.464 0.000) 0.464 12.755 ( 0.000 -0.013 0.000) 0.013 12.755 ( 0.000 0.013 0.000) 0.013 12.792 ( 0.000 -3.167 0.000) 3.167 12.792 ( 0.000 3.167 0.000) 3.167 13.469 ( 0.000 -3.719 0.000) 3.719 13.469 ( 0.000 3.719 0.000) 3.719 13.572 ( 0.000 -0.313 0.000) 0.313 13.572 ( 0.000 0.313 0.000) 0.313 14.117 ( 0.000 -1.519 0.000) 1.519 14.117 ( 0.000 1.519 0.000) 1.519 14.205 ( 0.000 -0.879 0.000) 0.879 14.205 ( 0.000 0.879 0.000) 0.879 14.210 ( 0.000 -0.112 0.000) 0.112 14.210 ( 0.000 0.112 0.000) 0.112 14.258 ( 0.000 -0.296 0.000) 0.296 14.258 ( 0.000 0.296 0.000) 0.296 ======================= Grid point 9 (6/24) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 21 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( 3.823 -18.229 0.000) 18.625 0.451 ( 3.823 18.229 0.000) 18.625 0.492 ( 5.933 -15.920 0.000) 16.990 0.492 ( 5.933 15.920 0.000) 16.990 0.935 ( 4.770 -25.496 0.000) 25.939 0.935 ( 4.770 25.496 0.000) 25.939 1.065 ( -4.008 -4.995 0.000) 6.404 1.065 ( -4.008 4.995 0.000) 6.404 1.156 ( 4.860 -5.468 0.000) 7.316 1.156 ( 4.860 5.468 0.000) 7.316 1.201 ( 2.942 -7.855 0.000) 8.388 1.201 ( 2.942 7.855 0.000) 8.388 1.262 ( -0.078 -1.974 0.000) 1.976 1.262 ( -0.078 1.974 0.000) 1.976 1.366 ( 3.001 -7.029 0.000) 7.643 1.366 ( 3.001 7.029 0.000) 7.643 1.433 ( -5.160 -2.564 0.000) 5.762 1.433 ( -5.160 2.564 0.000) 5.762 1.480 ( 0.965 -2.625 0.000) 2.797 1.480 ( 0.965 2.625 0.000) 2.797 1.575 ( -2.942 -0.485 0.000) 2.981 1.575 ( -2.942 0.485 0.000) 2.981 1.587 ( -3.266 -2.005 0.000) 3.832 1.587 ( -3.266 2.005 0.000) 3.832 1.641 ( -1.410 -0.940 0.000) 1.695 1.641 ( -1.410 0.940 0.000) 1.695 1.687 ( 0.234 -0.941 0.000) 0.969 1.687 ( 0.234 0.941 0.000) 0.969 1.751 ( 0.370 -1.665 0.000) 1.706 1.751 ( 0.370 1.665 0.000) 1.706 1.795 ( -1.238 -0.154 0.000) 1.248 1.795 ( -1.238 0.154 0.000) 1.248 1.836 ( 1.120 -0.028 0.000) 1.120 1.836 ( 1.120 0.028 0.000) 1.120 1.840 ( -0.326 -0.972 0.000) 1.025 1.840 ( -0.326 0.972 0.000) 1.025 1.897 ( -1.451 -1.152 0.000) 1.853 1.897 ( -1.451 1.152 0.000) 1.853 1.968 ( -1.235 -4.105 0.000) 4.287 1.968 ( -1.235 4.105 0.000) 4.287 1.970 ( 0.228 -4.425 0.000) 4.431 1.970 ( 0.228 4.425 0.000) 4.431 2.081 ( -0.930 -2.170 0.000) 2.361 2.081 ( -0.930 2.170 0.000) 2.361 2.152 ( 0.206 -3.821 0.000) 3.826 2.152 ( 0.206 3.821 0.000) 3.826 2.155 ( -5.088 -0.442 0.000) 5.107 2.155 ( -5.088 0.442 0.000) 5.107 2.285 ( -3.313 -1.923 0.000) 3.830 2.285 ( -3.313 1.923 0.000) 3.830 2.326 ( -2.749 -2.186 0.000) 3.512 2.326 ( -2.749 2.186 0.000) 3.512 2.388 ( -2.535 -3.261 0.000) 4.131 2.388 ( -2.535 3.261 0.000) 4.131 2.391 ( 0.036 -2.606 0.000) 2.607 2.391 ( 0.036 2.606 0.000) 2.607 2.472 ( -3.108 -0.313 0.000) 3.124 2.472 ( -3.108 0.313 0.000) 3.124 2.571 ( 0.215 -0.550 0.000) 0.590 2.571 ( 0.215 0.550 0.000) 0.590 2.643 ( -2.206 -5.381 0.000) 5.816 2.643 ( -2.206 5.381 0.000) 5.816 2.707 ( 0.836 -4.894 0.000) 4.965 2.707 ( 0.836 4.894 0.000) 4.965 2.741 ( 1.933 -2.784 0.000) 3.389 2.741 ( 1.933 2.784 0.000) 3.389 2.775 ( 1.381 -2.211 0.000) 2.607 2.775 ( 1.381 2.211 0.000) 2.607 2.862 ( 2.662 -0.776 0.000) 2.772 2.862 ( 2.662 0.776 0.000) 2.772 2.889 ( 4.237 -1.777 0.000) 4.595 2.889 ( 4.237 1.777 0.000) 4.595 3.031 ( -0.667 -1.503 0.000) 1.644 3.031 ( -0.667 1.503 0.000) 1.644 3.064 ( -1.256 -4.788 0.000) 4.950 3.064 ( -1.256 4.788 0.000) 4.950 3.151 ( 1.435 -8.702 0.000) 8.819 3.151 ( 1.435 8.702 0.000) 8.819 3.313 ( 4.843 -2.498 0.000) 5.450 3.313 ( 4.843 2.498 0.000) 5.450 3.338 ( -0.311 -2.527 0.000) 2.546 3.338 ( -0.311 2.527 0.000) 2.546 3.353 ( 0.906 -0.481 0.000) 1.026 3.353 ( 0.906 0.481 0.000) 1.026 3.471 ( 3.764 -1.801 0.000) 4.173 3.471 ( 3.764 1.801 0.000) 4.173 3.538 ( -7.127 -2.937 0.000) 7.709 3.538 ( -7.127 2.937 0.000) 7.709 3.601 ( 3.022 -1.981 0.000) 3.613 3.601 ( 3.022 1.981 0.000) 3.613 3.698 ( 1.161 -5.220 0.000) 5.348 3.698 ( 1.161 5.220 0.000) 5.348 3.702 ( -3.104 -4.911 0.000) 5.809 3.702 ( -3.104 4.911 0.000) 5.809 3.844 ( -3.089 -4.603 0.000) 5.543 3.844 ( -3.089 4.603 0.000) 5.543 3.966 ( -0.959 -5.288 0.000) 5.374 3.966 ( -0.959 5.288 0.000) 5.374 4.014 ( -2.757 -1.033 0.000) 2.944 4.014 ( -2.757 1.033 0.000) 2.944 4.126 ( -0.831 -2.168 0.000) 2.321 4.126 ( -0.831 2.168 0.000) 2.321 4.135 ( 1.599 -1.681 0.000) 2.321 4.135 ( 1.599 1.681 0.000) 2.321 4.179 ( 0.162 -0.732 0.000) 0.749 4.179 ( 0.162 0.732 0.000) 0.749 4.233 ( 1.355 -0.933 0.000) 1.646 4.233 ( 1.355 0.933 0.000) 1.646 4.244 ( 0.421 -0.412 0.000) 0.589 4.244 ( 0.421 0.412 0.000) 0.589 4.341 ( -1.552 -1.181 0.000) 1.950 4.341 ( -1.552 1.181 0.000) 1.950 4.437 ( -2.727 -2.787 0.000) 3.900 4.437 ( -2.727 2.787 0.000) 3.900 4.468 ( 1.085 -3.394 0.000) 3.563 4.468 ( 1.085 3.394 0.000) 3.563 4.549 ( 1.540 -2.367 0.000) 2.824 4.549 ( 1.540 2.367 0.000) 2.824 4.561 ( 0.084 -4.590 0.000) 4.590 4.561 ( 0.084 4.590 0.000) 4.590 4.597 ( -2.672 -1.237 0.000) 2.944 4.597 ( -2.672 1.237 0.000) 2.944 4.693 ( 2.494 -0.797 0.000) 2.618 4.693 ( 2.494 0.797 0.000) 2.618 4.706 ( 1.468 -0.949 0.000) 1.748 4.706 ( 1.468 0.949 0.000) 1.748 4.779 ( 0.186 -5.630 0.000) 5.633 4.779 ( 0.186 5.630 0.000) 5.633 4.853 ( 2.043 -3.696 0.000) 4.223 4.853 ( 2.043 3.696 0.000) 4.223 4.872 ( -0.260 -0.956 0.000) 0.991 4.872 ( -0.260 0.956 0.000) 0.991 4.927 ( -2.103 -2.039 0.000) 2.929 4.927 ( -2.103 2.039 0.000) 2.929 4.965 ( -0.768 -0.241 0.000) 0.805 4.965 ( -0.768 0.241 0.000) 0.805 4.974 ( -1.586 -2.617 0.000) 3.060 4.974 ( -1.586 2.617 0.000) 3.060 5.018 ( -1.067 -1.801 0.000) 2.093 5.018 ( -1.067 1.801 0.000) 2.093 5.062 ( 1.580 -1.233 0.000) 2.004 5.062 ( 1.580 1.233 0.000) 2.004 5.086 ( -0.894 -1.255 0.000) 1.541 5.086 ( -0.894 1.255 0.000) 1.541 5.165 ( 2.785 -3.301 0.000) 4.319 5.165 ( 2.785 3.301 0.000) 4.319 5.213 ( 0.899 -3.316 0.000) 3.436 5.213 ( 0.899 3.316 0.000) 3.436 5.254 ( 2.335 -1.654 0.000) 2.862 5.254 ( 2.335 1.654 0.000) 2.862 5.387 ( 1.205 -2.306 0.000) 2.602 5.387 ( 1.205 2.306 0.000) 2.602 5.404 ( 4.265 -2.774 0.000) 5.087 5.404 ( 4.265 2.774 0.000) 5.087 5.482 ( -0.485 -1.244 0.000) 1.335 5.482 ( -0.485 1.244 0.000) 1.335 5.537 ( 1.344 -3.176 0.000) 3.449 5.537 ( 1.344 3.176 0.000) 3.449 5.652 ( -0.309 -1.142 0.000) 1.183 5.652 ( -0.309 1.142 0.000) 1.183 5.710 ( 0.632 -2.275 0.000) 2.361 5.710 ( 0.632 2.275 0.000) 2.361 5.810 ( -0.835 -3.775 0.000) 3.866 5.810 ( -0.835 3.775 0.000) 3.866 5.829 ( 3.808 -3.955 0.000) 5.490 5.829 ( 3.808 3.955 0.000) 5.490 5.858 ( 1.791 -2.394 0.000) 2.990 5.858 ( 1.791 2.394 0.000) 2.990 5.970 ( 3.374 -3.655 0.000) 4.975 5.970 ( 3.374 3.655 0.000) 4.975 6.157 ( -0.210 -6.799 0.000) 6.802 6.157 ( -0.210 6.799 0.000) 6.802 6.165 ( -0.468 -5.623 0.000) 5.642 6.165 ( -0.468 5.623 0.000) 5.642 6.279 ( 4.585 -2.553 0.000) 5.248 6.279 ( 4.585 2.553 0.000) 5.248 6.473 ( -0.443 -12.924 0.000) 12.932 6.473 ( -0.443 12.924 0.000) 12.932 6.567 ( 4.818 -4.146 0.000) 6.356 6.567 ( 4.818 4.146 0.000) 6.356 6.663 ( 2.176 -6.488 0.000) 6.843 6.663 ( 2.176 6.488 0.000) 6.843 6.735 ( 1.525 -6.306 0.000) 6.488 6.735 ( 1.525 6.306 0.000) 6.488 6.844 ( -1.278 -3.250 0.000) 3.492 6.844 ( -1.278 3.250 0.000) 3.492 6.949 ( 5.163 -1.369 0.000) 5.342 6.949 ( 5.163 1.369 0.000) 5.342 6.959 ( -0.301 -1.368 0.000) 1.401 6.959 ( -0.301 1.368 0.000) 1.401 7.063 ( 4.228 -3.708 0.000) 5.624 7.063 ( 4.228 3.708 0.000) 5.624 7.241 ( -0.680 -6.955 0.000) 6.988 7.241 ( -0.680 6.955 0.000) 6.988 7.409 ( 0.505 -1.327 0.000) 1.420 7.409 ( 0.505 1.327 0.000) 1.420 7.651 ( -0.951 -5.294 0.000) 5.378 7.651 ( -0.951 5.294 0.000) 5.378 7.802 ( -7.200 -1.490 0.000) 7.352 7.802 ( -7.200 1.490 0.000) 7.352 8.050 ( -11.260 -13.877 0.000) 17.870 8.050 ( -11.260 13.877 0.000) 17.870 8.051 ( -3.369 -2.747 0.000) 4.347 8.051 ( -3.369 2.747 0.000) 4.347 8.450 ( -6.935 -0.885 0.000) 6.991 8.450 ( -6.935 0.885 0.000) 6.991 8.636 ( -4.909 -8.516 0.000) 9.829 8.636 ( -4.909 8.516 0.000) 9.829 11.542 ( 1.309 -0.462 0.000) 1.388 11.542 ( 1.309 0.462 0.000) 1.388 11.669 ( 1.992 -4.010 0.000) 4.478 11.669 ( 1.992 4.010 0.000) 4.478 11.813 ( -0.979 -1.451 0.000) 1.751 11.813 ( -0.979 1.451 0.000) 1.751 12.154 ( 1.660 -2.573 0.000) 3.062 12.154 ( 1.660 2.573 0.000) 3.062 12.237 ( 3.507 -1.076 0.000) 3.668 12.237 ( 3.507 1.076 0.000) 3.668 12.279 ( -14.667 -12.891 0.000) 19.527 12.279 ( -14.667 12.891 0.000) 19.527 12.480 ( -0.223 -0.858 0.000) 0.886 12.480 ( -0.223 0.858 0.000) 0.886 12.576 ( -1.669 -2.736 0.000) 3.205 12.576 ( -1.669 2.736 0.000) 3.205 12.755 ( -0.001 -0.292 0.000) 0.292 12.755 ( -0.001 0.292 0.000) 0.292 12.817 ( -2.484 -1.176 0.000) 2.749 12.817 ( -2.484 1.176 0.000) 2.749 13.300 ( -10.409 -3.214 0.000) 10.894 13.300 ( -10.409 3.214 0.000) 10.894 13.561 ( -10.166 -7.964 0.000) 12.914 13.561 ( -10.166 7.964 0.000) 12.914 14.128 ( 1.743 -2.133 0.000) 2.754 14.128 ( 1.743 2.133 0.000) 2.754 14.205 ( -0.398 -0.490 0.000) 0.631 14.205 ( -0.398 0.490 0.000) 0.631 14.262 ( 4.418 -2.878 0.000) 5.272 14.262 ( 4.418 2.878 0.000) 5.272 14.275 ( 1.416 -0.217 0.000) 1.432 14.275 ( 1.416 0.217 0.000) 1.432 ======================= Grid point 11 (7/24) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 21 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 4.719 -15.752 0.000) 16.444 0.554 ( 4.719 15.752 0.000) 16.444 0.638 ( 7.339 -12.262 0.000) 14.291 0.638 ( 7.339 12.262 0.000) 14.291 0.970 ( -4.978 -2.613 0.000) 5.623 0.970 ( -4.978 2.613 0.000) 5.623 1.011 ( 3.574 -10.946 0.000) 11.515 1.011 ( 3.574 10.946 0.000) 11.515 1.195 ( -2.072 -2.257 0.000) 3.064 1.195 ( -2.072 2.257 0.000) 3.064 1.265 ( 0.209 -1.196 0.000) 1.214 1.265 ( 0.209 1.196 0.000) 1.214 1.312 ( 3.245 -3.849 0.000) 5.034 1.312 ( 3.245 3.849 0.000) 5.034 1.327 ( -0.752 -4.131 0.000) 4.199 1.327 ( -0.752 4.131 0.000) 4.199 1.422 ( 1.764 -7.414 0.000) 7.621 1.422 ( 1.764 7.414 0.000) 7.621 1.470 ( -2.690 -3.491 0.000) 4.407 1.470 ( -2.690 3.491 0.000) 4.407 1.495 ( -4.190 -1.993 0.000) 4.639 1.495 ( -4.190 1.993 0.000) 4.639 1.572 ( 2.600 -6.761 0.000) 7.243 1.572 ( 2.600 6.761 0.000) 7.243 1.620 ( -0.570 -1.715 0.000) 1.807 1.620 ( -0.570 1.715 0.000) 1.807 1.669 ( -1.666 -1.973 0.000) 2.582 1.669 ( -1.666 1.973 0.000) 2.582 1.750 ( -1.130 -0.863 0.000) 1.422 1.750 ( -1.130 0.863 0.000) 1.422 1.761 ( -1.005 -1.092 0.000) 1.484 1.761 ( -1.005 1.092 0.000) 1.484 1.837 ( -0.546 -3.080 0.000) 3.128 1.837 ( -0.546 3.080 0.000) 3.128 1.841 ( -3.202 -0.358 0.000) 3.222 1.841 ( -3.202 0.358 0.000) 3.222 1.881 ( 1.908 -3.513 0.000) 3.997 1.881 ( 1.908 3.513 0.000) 3.997 1.935 ( -2.276 -3.725 0.000) 4.365 1.935 ( -2.276 3.725 0.000) 4.365 1.971 ( 0.874 -3.755 0.000) 3.856 1.971 ( 0.874 3.755 0.000) 3.856 2.046 ( -3.149 -1.757 0.000) 3.606 2.046 ( -3.149 1.757 0.000) 3.606 2.100 ( -3.969 -1.479 0.000) 4.235 2.100 ( -3.969 1.479 0.000) 4.235 2.101 ( 0.927 -4.866 0.000) 4.953 2.101 ( 0.927 4.866 0.000) 4.953 2.191 ( -5.091 -3.134 0.000) 5.978 2.191 ( -5.091 3.134 0.000) 5.978 2.254 ( -3.132 -1.436 0.000) 3.446 2.254 ( -3.132 1.436 0.000) 3.446 2.316 ( -1.859 -0.402 0.000) 1.901 2.316 ( -1.859 0.402 0.000) 1.901 2.430 ( 1.983 -0.293 0.000) 2.005 2.430 ( 1.983 0.293 0.000) 2.005 2.451 ( 0.604 -1.906 0.000) 2.000 2.451 ( 0.604 1.906 0.000) 2.000 2.576 ( 0.294 -1.602 0.000) 1.629 2.576 ( 0.294 1.602 0.000) 1.629 2.591 ( -2.559 -7.063 0.000) 7.512 2.591 ( -2.559 7.063 0.000) 7.512 2.714 ( -0.656 -3.307 0.000) 3.371 2.714 ( -0.656 3.307 0.000) 3.371 2.759 ( 0.398 -2.808 0.000) 2.836 2.759 ( 0.398 2.808 0.000) 2.836 2.810 ( 2.019 -4.799 0.000) 5.206 2.810 ( 2.019 4.799 0.000) 5.206 2.856 ( -3.095 -1.021 0.000) 3.259 2.856 ( -3.095 1.021 0.000) 3.259 3.000 ( -3.830 -3.319 0.000) 5.068 3.000 ( -3.830 3.319 0.000) 5.068 3.014 ( 6.116 -0.551 0.000) 6.141 3.014 ( 6.116 0.551 0.000) 6.141 3.060 ( 1.975 -1.512 0.000) 2.488 3.060 ( 1.975 1.512 0.000) 2.488 3.212 ( 3.662 -7.345 0.000) 8.208 3.212 ( 3.662 7.345 0.000) 8.208 3.316 ( -1.321 -2.964 0.000) 3.245 3.316 ( -1.321 2.964 0.000) 3.245 3.355 ( 1.612 -2.427 0.000) 2.914 3.355 ( 1.612 2.427 0.000) 2.914 3.439 ( -1.329 -1.281 0.000) 1.846 3.439 ( -1.329 1.281 0.000) 1.846 3.445 ( 6.009 -1.855 0.000) 6.289 3.445 ( 6.009 1.855 0.000) 6.289 3.563 ( 3.784 -0.773 0.000) 3.862 3.563 ( 3.784 0.773 0.000) 3.862 3.631 ( -3.857 -3.412 0.000) 5.150 3.631 ( -3.857 3.412 0.000) 5.150 3.665 ( 2.320 -1.949 0.000) 3.030 3.665 ( 2.320 1.949 0.000) 3.030 3.765 ( 6.454 -2.102 0.000) 6.788 3.765 ( 6.454 2.102 0.000) 6.788 3.778 ( -2.576 -2.109 0.000) 3.329 3.778 ( -2.576 2.109 0.000) 3.329 3.931 ( -1.672 -4.497 0.000) 4.798 3.931 ( -1.672 4.497 0.000) 4.798 3.942 ( -4.178 -1.401 0.000) 4.407 3.942 ( -4.178 1.401 0.000) 4.407 4.070 ( -4.162 -0.672 0.000) 4.216 4.070 ( -4.162 0.672 0.000) 4.216 4.140 ( -3.594 -1.341 0.000) 3.836 4.140 ( -3.594 1.341 0.000) 3.836 4.159 ( 0.684 -4.745 0.000) 4.794 4.159 ( 0.684 4.745 0.000) 4.794 4.258 ( 0.247 -2.107 0.000) 2.122 4.258 ( 0.247 2.107 0.000) 2.122 4.270 ( 1.617 -1.530 0.000) 2.227 4.270 ( 1.617 1.530 0.000) 2.227 4.330 ( 0.545 -1.881 0.000) 1.958 4.330 ( 0.545 1.881 0.000) 1.958 4.396 ( -1.353 -1.290 0.000) 1.869 4.396 ( -1.353 1.290 0.000) 1.869 4.491 ( -4.901 -3.240 0.000) 5.875 4.491 ( -4.901 3.240 0.000) 5.875 4.511 ( 3.115 -5.104 0.000) 5.979 4.511 ( 3.115 5.104 0.000) 5.979 4.574 ( 0.957 -1.901 0.000) 2.129 4.574 ( 0.957 1.901 0.000) 2.129 4.602 ( 0.957 -2.446 0.000) 2.626 4.602 ( 0.957 2.446 0.000) 2.626 4.733 ( 1.402 -0.325 0.000) 1.439 4.733 ( 1.402 0.325 0.000) 1.439 4.734 ( 1.464 -1.701 0.000) 2.245 4.734 ( 1.464 1.701 0.000) 2.245 4.790 ( 0.985 -2.906 0.000) 3.068 4.790 ( 0.985 2.906 0.000) 3.068 4.826 ( -4.280 -2.077 0.000) 4.757 4.826 ( -4.280 2.077 0.000) 4.757 4.880 ( -1.893 -0.512 0.000) 1.961 4.880 ( -1.893 0.512 0.000) 1.961 4.888 ( 0.895 -1.664 0.000) 1.889 4.888 ( 0.895 1.664 0.000) 1.889 4.943 ( -1.626 -3.810 0.000) 4.143 4.943 ( -1.626 3.810 0.000) 4.143 4.978 ( 1.785 -0.888 0.000) 1.994 4.978 ( 1.785 0.888 0.000) 1.994 4.983 ( -1.793 -2.259 0.000) 2.884 4.983 ( -1.793 2.259 0.000) 2.884 5.060 ( -1.298 -4.074 0.000) 4.276 5.060 ( -1.298 4.074 0.000) 4.276 5.068 ( -0.653 -0.248 0.000) 0.698 5.068 ( -0.653 0.248 0.000) 0.698 5.224 ( 1.704 -3.004 0.000) 3.454 5.224 ( 1.704 3.004 0.000) 3.454 5.229 ( 0.304 -4.766 0.000) 4.776 5.229 ( 0.304 4.766 0.000) 4.776 5.305 ( 2.939 -2.509 0.000) 3.864 5.305 ( 2.939 2.509 0.000) 3.864 5.441 ( 3.787 -1.413 0.000) 4.042 5.441 ( 3.787 1.413 0.000) 4.042 5.484 ( 2.587 -1.938 0.000) 3.232 5.484 ( 2.587 1.938 0.000) 3.232 5.484 ( 1.468 -0.261 0.000) 1.491 5.484 ( 1.468 0.261 0.000) 1.491 5.546 ( -0.724 -2.790 0.000) 2.882 5.546 ( -0.724 2.790 0.000) 2.882 5.666 ( 1.651 -1.937 0.000) 2.545 5.666 ( 1.651 1.937 0.000) 2.545 5.700 ( -1.457 -2.448 0.000) 2.849 5.700 ( -1.457 2.448 0.000) 2.849 5.807 ( -0.017 -2.951 0.000) 2.951 5.807 ( -0.017 2.951 0.000) 2.951 5.908 ( 2.466 -4.313 0.000) 4.968 5.908 ( 2.466 4.313 0.000) 4.968 5.910 ( 3.367 -3.800 0.000) 5.077 5.910 ( 3.367 3.800 0.000) 5.077 6.045 ( 3.228 -2.066 0.000) 3.832 6.045 ( 3.228 2.066 0.000) 3.832 6.149 ( -0.799 -5.394 0.000) 5.453 6.149 ( -0.799 5.394 0.000) 5.453 6.179 ( 2.503 -4.982 0.000) 5.575 6.179 ( 2.503 4.982 0.000) 5.575 6.399 ( 6.868 -1.687 0.000) 7.073 6.399 ( 6.868 1.687 0.000) 7.073 6.465 ( -1.367 -14.898 0.000) 14.960 6.465 ( -1.367 14.898 0.000) 14.960 6.689 ( 0.146 -6.158 0.000) 6.159 6.689 ( 0.146 6.158 0.000) 6.159 6.700 ( 7.390 -4.720 0.000) 8.769 6.700 ( 7.390 4.720 0.000) 8.769 6.811 ( 5.769 -4.533 0.000) 7.337 6.811 ( 5.769 4.533 0.000) 7.337 6.829 ( 0.488 -4.894 0.000) 4.918 6.829 ( 0.488 4.894 0.000) 4.918 6.974 ( 2.029 -2.156 0.000) 2.961 6.974 ( 2.029 2.156 0.000) 2.961 7.032 ( 2.303 -3.395 0.000) 4.103 7.032 ( 2.303 3.395 0.000) 4.103 7.155 ( 4.344 -4.189 0.000) 6.035 7.155 ( 4.344 4.189 0.000) 6.035 7.221 ( -1.169 -4.486 0.000) 4.636 7.221 ( -1.169 4.486 0.000) 4.636 7.435 ( 2.100 -0.750 0.000) 2.230 7.435 ( 2.100 0.750 0.000) 2.230 7.604 ( -11.491 -2.048 0.000) 11.672 7.604 ( -11.491 2.048 0.000) 11.672 7.642 ( 1.067 -4.032 0.000) 4.171 7.642 ( 1.067 4.032 0.000) 4.171 7.830 ( -10.458 -9.987 0.000) 14.460 7.830 ( -10.458 9.987 0.000) 14.460 7.968 ( -3.989 -1.727 0.000) 4.347 7.968 ( -3.989 1.727 0.000) 4.347 8.227 ( -12.571 -1.063 0.000) 12.616 8.227 ( -12.571 1.063 0.000) 12.616 8.418 ( -15.015 -9.662 0.000) 17.855 8.418 ( -15.015 9.662 0.000) 17.855 11.581 ( 2.402 -0.681 0.000) 2.497 11.581 ( 2.402 0.681 0.000) 2.497 11.727 ( 3.448 -2.356 0.000) 4.176 11.727 ( 3.448 2.356 0.000) 4.176 11.773 ( -2.757 -0.558 0.000) 2.813 11.773 ( -2.757 0.558 0.000) 2.813 12.051 ( -8.074 -9.053 0.000) 12.131 12.051 ( -8.074 9.053 0.000) 12.131 12.209 ( 3.659 -2.696 0.000) 4.545 12.209 ( 3.659 2.696 0.000) 4.545 12.343 ( 6.588 -1.903 0.000) 6.857 12.343 ( 6.588 1.903 0.000) 6.857 12.470 ( -1.365 -0.769 0.000) 1.566 12.470 ( -1.365 0.769 0.000) 1.566 12.554 ( -0.043 -3.526 0.000) 3.526 12.554 ( -0.043 3.526 0.000) 3.526 12.721 ( -5.794 -1.756 0.000) 6.054 12.721 ( -5.794 1.756 0.000) 6.054 12.763 ( 1.183 -1.071 0.000) 1.596 12.763 ( 1.183 1.071 0.000) 1.596 13.051 ( -13.134 -1.948 0.000) 13.278 13.051 ( -13.134 1.948 0.000) 13.278 13.264 ( -15.412 -4.344 0.000) 16.013 13.264 ( -15.412 4.344 0.000) 16.013 14.148 ( 0.379 -2.455 0.000) 2.484 14.148 ( 0.379 2.455 0.000) 2.484 14.193 ( -0.854 -1.235 0.000) 1.501 14.193 ( -0.854 1.235 0.000) 1.501 14.309 ( 1.680 -0.571 0.000) 1.774 14.309 ( 1.680 0.571 0.000) 1.774 14.341 ( 2.420 -4.282 0.000) 4.918 14.341 ( 2.420 4.282 0.000) 4.918 ======================= Grid point 13 (8/24) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 21 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 5.114 -11.186 0.000) 12.299 0.650 ( 5.114 11.186 0.000) 12.299 0.740 ( -0.563 -7.432 0.000) 7.453 0.740 ( -0.563 7.432 0.000) 7.453 0.900 ( 1.459 -6.356 0.000) 6.521 0.900 ( 1.459 6.356 0.000) 6.521 1.008 ( -5.343 -7.646 0.000) 9.328 1.008 ( -5.343 7.646 0.000) 9.328 1.204 ( 4.131 -7.918 0.000) 8.931 1.204 ( 4.131 7.918 0.000) 8.931 1.241 ( 0.377 -9.936 0.000) 9.943 1.241 ( 0.377 9.936 0.000) 9.943 1.340 ( 0.451 -2.990 0.000) 3.024 1.340 ( 0.451 2.990 0.000) 3.024 1.355 ( -0.336 -4.921 0.000) 4.933 1.355 ( -0.336 4.921 0.000) 4.933 1.398 ( -3.885 -3.362 0.000) 5.138 1.398 ( -3.885 3.362 0.000) 5.138 1.399 ( -4.279 -0.770 0.000) 4.348 1.399 ( -4.279 0.770 0.000) 4.348 1.491 ( 5.279 -6.037 0.000) 8.020 1.491 ( 5.279 6.037 0.000) 8.020 1.577 ( -1.928 -3.141 0.000) 3.686 1.577 ( -1.928 3.141 0.000) 3.686 1.637 ( 1.881 -0.034 0.000) 1.881 1.637 ( 1.881 0.034 0.000) 1.881 1.662 ( -0.235 -2.034 0.000) 2.048 1.662 ( -0.235 2.034 0.000) 2.048 1.735 ( -1.738 -4.064 0.000) 4.420 1.735 ( -1.738 4.064 0.000) 4.420 1.747 ( -0.798 -6.145 0.000) 6.196 1.747 ( -0.798 6.145 0.000) 6.196 1.771 ( -1.356 -4.658 0.000) 4.851 1.771 ( -1.356 4.658 0.000) 4.851 1.797 ( -0.665 -3.320 0.000) 3.386 1.797 ( -0.665 3.320 0.000) 3.386 1.890 ( -1.461 -2.198 0.000) 2.639 1.890 ( -1.461 2.198 0.000) 2.639 1.899 ( -2.340 -4.517 0.000) 5.087 1.899 ( -2.340 4.517 0.000) 5.087 1.982 ( 1.310 -2.551 0.000) 2.868 1.982 ( 1.310 2.551 0.000) 2.868 2.011 ( -0.345 -0.850 0.000) 0.918 2.011 ( -0.345 0.850 0.000) 0.918 2.060 ( 0.341 -2.891 0.000) 2.911 2.060 ( 0.341 2.891 0.000) 2.911 2.090 ( -2.937 -3.657 0.000) 4.691 2.090 ( -2.937 3.657 0.000) 4.691 2.151 ( 1.921 -4.783 0.000) 5.154 2.151 ( 1.921 4.783 0.000) 5.154 2.198 ( -2.480 -3.311 0.000) 4.137 2.198 ( -2.480 3.311 0.000) 4.137 2.350 ( 4.416 -3.799 0.000) 5.825 2.350 ( 4.416 3.799 0.000) 5.825 2.432 ( -2.227 -4.670 0.000) 5.174 2.432 ( -2.227 4.670 0.000) 5.174 2.486 ( 2.456 -3.962 0.000) 4.661 2.486 ( 2.456 3.962 0.000) 4.661 2.539 ( -2.506 -4.816 0.000) 5.430 2.539 ( -2.506 4.816 0.000) 5.430 2.600 ( 2.356 -1.974 0.000) 3.074 2.600 ( 2.356 1.974 0.000) 3.074 2.671 ( -3.543 -1.399 0.000) 3.809 2.671 ( -3.543 1.399 0.000) 3.809 2.759 ( 0.006 -5.860 0.000) 5.860 2.759 ( 0.006 5.860 0.000) 5.860 2.781 ( -2.726 -4.594 0.000) 5.341 2.781 ( -2.726 4.594 0.000) 5.341 2.861 ( 2.560 -6.145 0.000) 6.656 2.861 ( 2.560 6.145 0.000) 6.656 2.919 ( -3.345 -4.862 0.000) 5.902 2.919 ( -3.345 4.862 0.000) 5.902 3.097 ( 1.447 -1.275 0.000) 1.929 3.097 ( 1.308 -1.096 0.000) 1.706 3.097 ( 1.226 1.006 0.000) 1.586 3.097 ( 1.546 1.364 0.000) 2.062 3.282 ( 2.758 -3.626 0.000) 4.556 3.282 ( 2.758 3.626 0.000) 4.556 3.308 ( 0.028 -0.370 0.000) 0.371 3.308 ( 0.028 0.370 0.000) 0.371 3.409 ( 2.752 -2.240 0.000) 3.548 3.409 ( 2.752 2.240 0.000) 3.548 3.440 ( 0.047 -2.003 0.000) 2.004 3.440 ( 0.047 2.003 0.000) 2.004 3.533 ( 1.392 -2.425 0.000) 2.796 3.533 ( 1.392 2.425 0.000) 2.796 3.557 ( -2.537 -2.441 0.000) 3.520 3.557 ( -2.537 2.441 0.000) 3.520 3.631 ( 4.474 -1.112 0.000) 4.610 3.631 ( 4.474 1.112 0.000) 4.610 3.729 ( -3.218 -1.313 0.000) 3.476 3.729 ( -3.218 1.313 0.000) 3.476 3.752 ( 6.034 -3.425 0.000) 6.938 3.752 ( 6.034 3.425 0.000) 6.938 3.846 ( -4.310 -2.620 0.000) 5.044 3.846 ( -4.310 2.620 0.000) 5.044 3.857 ( 1.414 -0.672 0.000) 1.565 3.857 ( 1.414 0.672 0.000) 1.565 3.953 ( -6.786 -2.764 0.000) 7.328 3.953 ( -6.786 2.764 0.000) 7.328 3.975 ( 6.073 -5.591 0.000) 8.254 3.975 ( 6.073 5.591 0.000) 8.254 4.069 ( -3.072 -3.984 0.000) 5.031 4.069 ( -3.072 3.984 0.000) 5.031 4.176 ( 1.476 -5.457 0.000) 5.654 4.176 ( 1.476 5.457 0.000) 5.654 4.231 ( -2.873 -2.214 0.000) 3.627 4.231 ( -2.873 2.214 0.000) 3.627 4.313 ( 2.649 -1.846 0.000) 3.229 4.313 ( 2.649 1.846 0.000) 3.229 4.347 ( 0.996 -1.062 0.000) 1.456 4.347 ( 0.996 1.062 0.000) 1.456 4.361 ( -1.936 -1.001 0.000) 2.179 4.361 ( -1.936 1.001 0.000) 2.179 4.396 ( -3.855 -2.728 0.000) 4.723 4.396 ( -3.855 2.728 0.000) 4.723 4.571 ( 1.726 -0.914 0.000) 1.953 4.571 ( 1.726 0.914 0.000) 1.953 4.601 ( -1.091 -1.119 0.000) 1.563 4.601 ( -1.091 1.119 0.000) 1.563 4.619 ( 4.116 -4.559 0.000) 6.142 4.619 ( 4.116 4.559 0.000) 6.142 4.718 ( -5.057 -2.179 0.000) 5.507 4.718 ( -5.057 2.179 0.000) 5.507 4.768 ( 1.911 -3.176 0.000) 3.707 4.768 ( 1.911 3.176 0.000) 3.707 4.774 ( 1.345 -2.110 0.000) 2.502 4.774 ( 1.345 2.110 0.000) 2.502 4.811 ( 1.046 -2.711 0.000) 2.906 4.811 ( 1.046 2.711 0.000) 2.906 4.847 ( -1.776 -2.884 0.000) 3.387 4.847 ( -1.776 2.884 0.000) 3.387 4.899 ( 0.309 -5.230 0.000) 5.239 4.899 ( 0.309 5.230 0.000) 5.239 4.906 ( -1.146 -3.617 0.000) 3.794 4.906 ( -1.146 3.617 0.000) 3.794 4.957 ( -0.369 -1.313 0.000) 1.364 4.957 ( -0.369 1.313 0.000) 1.364 4.981 ( -2.042 -2.673 0.000) 3.363 4.981 ( -2.042 2.673 0.000) 3.363 5.049 ( 0.802 -0.430 0.000) 0.910 5.049 ( 0.802 0.430 0.000) 0.910 5.061 ( -0.255 -1.376 0.000) 1.399 5.061 ( -0.255 1.376 0.000) 1.399 5.228 ( -0.196 -3.813 0.000) 3.818 5.228 ( -0.196 3.813 0.000) 3.818 5.229 ( -0.354 -1.969 0.000) 2.000 5.229 ( -0.354 1.969 0.000) 2.000 5.381 ( 3.999 -4.175 0.000) 5.781 5.381 ( 3.999 4.175 0.000) 5.781 5.463 ( -3.596 -4.573 0.000) 5.818 5.463 ( -3.596 4.573 0.000) 5.818 5.511 ( 2.816 -0.483 0.000) 2.857 5.511 ( 2.816 0.483 0.000) 2.857 5.545 ( -0.129 -0.597 0.000) 0.611 5.545 ( -0.129 0.597 0.000) 0.611 5.561 ( 4.989 -0.170 0.000) 4.992 5.561 ( 4.989 0.170 0.000) 4.992 5.652 ( -3.356 -1.072 0.000) 3.523 5.652 ( -3.356 1.072 0.000) 3.523 5.715 ( 2.996 -2.818 0.000) 4.113 5.715 ( 2.996 2.818 0.000) 4.113 5.780 ( -2.730 -1.570 0.000) 3.150 5.780 ( -2.730 1.570 0.000) 3.150 5.939 ( 0.916 -3.819 0.000) 3.928 5.939 ( 0.916 3.819 0.000) 3.928 5.950 ( 0.340 -2.656 0.000) 2.678 5.950 ( 0.340 2.656 0.000) 2.678 6.108 ( 2.248 -6.994 0.000) 7.347 6.108 ( 2.248 6.994 0.000) 7.347 6.132 ( -0.668 -5.309 0.000) 5.351 6.132 ( -0.668 5.309 0.000) 5.351 6.265 ( 5.706 -9.218 0.000) 10.841 6.265 ( 5.706 9.218 0.000) 10.841 6.392 ( -5.495 -13.089 0.000) 14.196 6.392 ( -5.495 13.089 0.000) 14.196 6.551 ( 7.003 -3.549 0.000) 7.851 6.551 ( 7.003 3.549 0.000) 7.851 6.659 ( -3.199 -4.538 0.000) 5.553 6.659 ( -3.199 4.538 0.000) 5.553 6.824 ( 3.854 -4.084 0.000) 5.616 6.824 ( 3.854 4.084 0.000) 5.616 6.854 ( 0.817 -7.158 0.000) 7.204 6.854 ( 0.817 7.158 0.000) 7.204 6.960 ( 6.600 -0.971 0.000) 6.671 6.960 ( 6.600 0.971 0.000) 6.671 7.037 ( -1.749 -4.040 0.000) 4.402 7.037 ( -1.749 4.040 0.000) 4.402 7.054 ( 6.671 -3.450 0.000) 7.511 7.054 ( 6.671 3.450 0.000) 7.511 7.189 ( -2.840 -2.638 0.000) 3.876 7.189 ( -2.840 2.638 0.000) 3.876 7.231 ( 2.986 -4.034 0.000) 5.019 7.231 ( 2.986 4.034 0.000) 5.019 7.354 ( -10.990 -5.440 0.000) 12.263 7.354 ( -10.990 5.440 0.000) 12.263 7.494 ( 3.972 -5.585 0.000) 6.854 7.494 ( 3.972 5.585 0.000) 6.854 7.625 ( -8.623 -8.125 0.000) 11.848 7.625 ( -8.623 8.125 0.000) 11.848 7.754 ( 10.362 -4.140 0.000) 11.159 7.754 ( 10.362 4.140 0.000) 11.159 7.923 ( 0.776 -1.284 0.000) 1.501 7.923 ( 0.776 1.284 0.000) 1.501 7.989 ( -9.799 -2.613 0.000) 10.141 7.989 ( -9.799 2.613 0.000) 10.141 8.079 ( -15.512 -5.026 0.000) 16.306 8.079 ( -15.512 5.026 0.000) 16.306 11.639 ( 3.122 -0.669 0.000) 3.193 11.639 ( 3.122 0.669 0.000) 3.193 11.707 ( -3.359 -0.277 0.000) 3.371 11.707 ( -3.359 0.277 0.000) 3.371 11.810 ( 4.488 -1.839 0.000) 4.850 11.810 ( 4.488 1.839 0.000) 4.850 11.914 ( -5.626 -4.667 0.000) 7.310 11.914 ( -5.626 4.667 0.000) 7.310 12.304 ( 5.269 -2.939 0.000) 6.033 12.304 ( 5.269 2.939 0.000) 6.033 12.410 ( -4.408 -2.009 0.000) 4.844 12.410 ( -4.408 2.009 0.000) 4.844 12.499 ( 7.363 -1.829 0.000) 7.587 12.499 ( 7.363 1.829 0.000) 7.587 12.590 ( 4.538 -3.699 0.000) 5.855 12.590 ( 4.538 3.699 0.000) 5.855 12.608 ( -4.708 -1.382 0.000) 4.906 12.608 ( -4.708 1.382 0.000) 4.906 12.781 ( -12.241 -1.563 0.000) 12.340 12.781 ( -12.241 1.563 0.000) 12.340 12.823 ( 5.070 -2.112 0.000) 5.493 12.823 ( 5.070 2.112 0.000) 5.493 12.986 ( -10.773 -3.127 0.000) 11.218 12.986 ( -10.773 3.127 0.000) 11.218 14.156 ( 0.535 -2.490 0.000) 2.547 14.156 ( 0.535 2.490 0.000) 2.547 14.172 ( -0.986 -2.038 0.000) 2.264 14.172 ( -0.986 2.038 0.000) 2.264 14.342 ( 1.387 -1.546 0.000) 2.077 14.342 ( 1.387 1.546 0.000) 2.077 14.361 ( -0.265 -2.930 0.000) 2.942 14.361 ( -0.265 2.930 0.000) 2.942 ======================= Grid point 21 (9/24) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 16 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( 0.000 0.000 17.346) 17.346 0.376 ( 0.000 0.000 17.563) 17.563 0.754 ( 0.000 0.000 33.111) 33.111 0.898 ( 0.000 0.000 4.200) 4.200 0.908 ( 0.000 0.000 9.320) 9.320 0.952 ( 0.000 0.000 10.548) 10.548 0.973 ( 0.000 0.000 -8.001) 8.001 0.978 ( 0.000 0.000 11.168) 11.168 0.981 ( 0.000 0.000 -10.483) 10.483 1.199 ( 0.000 0.000 -3.739) 3.739 1.268 ( 0.000 0.000 4.458) 4.458 1.328 ( 0.000 0.000 -1.200) 1.200 1.338 ( 0.000 0.000 1.965) 1.965 1.349 ( 0.000 0.000 -3.121) 3.121 1.383 ( 0.000 0.000 -0.717) 0.717 1.392 ( 0.000 0.000 -2.350) 2.350 1.434 ( 0.000 0.000 -1.586) 1.586 1.493 ( 0.000 0.000 3.085) 3.085 1.504 ( 0.000 0.000 -1.843) 1.843 1.554 ( 0.000 0.000 4.789) 4.789 1.556 ( 0.000 0.000 0.536) 0.536 1.591 ( 0.000 0.000 1.140) 1.140 1.597 ( 0.000 0.000 0.920) 0.920 1.632 ( 0.000 0.000 0.944) 0.944 1.660 ( 0.000 0.000 0.548) 0.548 1.668 ( 0.000 0.000 1.101) 1.101 1.710 ( 0.000 0.000 0.682) 0.682 1.711 ( 0.000 0.000 2.667) 2.667 1.742 ( 0.000 0.000 2.362) 2.362 1.756 ( 0.000 0.000 -1.074) 1.074 1.758 ( 0.000 0.000 -1.390) 1.390 1.789 ( 0.000 0.000 3.497) 3.497 1.806 ( 0.000 0.000 -1.336) 1.336 1.821 ( 0.000 0.000 -0.719) 0.719 1.828 ( 0.000 0.000 -3.473) 3.473 1.840 ( 0.000 0.000 -1.794) 1.794 1.907 ( 0.000 0.000 0.999) 0.999 1.923 ( 0.000 0.000 -0.718) 0.718 1.944 ( 0.000 0.000 -0.270) 0.270 1.996 ( 0.000 0.000 -0.463) 0.463 2.018 ( 0.000 0.000 -3.297) 3.297 2.062 ( 0.000 0.000 2.472) 2.472 2.073 ( 0.000 0.000 -1.453) 1.453 2.085 ( 0.000 0.000 -6.711) 6.711 2.089 ( 0.000 0.000 -2.371) 2.371 2.096 ( 0.000 0.000 1.790) 1.790 2.180 ( 0.000 0.000 1.635) 1.635 2.209 ( 0.000 0.000 -2.660) 2.660 2.221 ( 0.000 0.000 0.493) 0.493 2.238 ( 0.000 0.000 -0.795) 0.795 2.250 ( 0.000 0.000 -5.184) 5.184 2.300 ( 0.000 0.000 2.607) 2.607 2.311 ( 0.000 0.000 -6.918) 6.918 2.444 ( 0.000 0.000 0.174) 0.174 2.465 ( 0.000 0.000 -2.626) 2.626 2.466 ( 0.000 0.000 1.147) 1.147 2.512 ( 0.000 0.000 4.107) 4.107 2.553 ( 0.000 0.000 -1.692) 1.692 2.563 ( 0.000 0.000 -0.017) 0.017 2.578 ( 0.000 0.000 3.672) 3.672 2.599 ( 0.000 0.000 -2.466) 2.466 2.625 ( 0.000 0.000 0.650) 0.650 2.643 ( 0.000 0.000 1.152) 1.152 2.671 ( 0.000 0.000 -5.100) 5.100 2.728 ( 0.000 0.000 1.114) 1.114 2.770 ( 0.000 0.000 3.146) 3.146 2.807 ( 0.000 0.000 8.119) 8.119 2.840 ( 0.000 0.000 6.301) 6.301 2.859 ( 0.000 0.000 -4.805) 4.805 2.894 ( 0.000 0.000 -0.963) 0.963 2.957 ( 0.000 0.000 0.706) 0.706 2.958 ( 0.000 0.000 -0.089) 0.089 2.990 ( 0.000 0.000 5.705) 5.705 3.001 ( 0.000 0.000 -1.379) 1.379 3.019 ( 0.000 0.000 4.040) 4.040 3.020 ( 0.000 0.000 -0.171) 0.171 3.136 ( 0.000 0.000 -2.369) 2.369 3.136 ( 0.000 0.000 -4.730) 4.730 3.151 ( 0.000 0.000 -4.110) 4.110 3.161 ( 0.000 0.000 -7.046) 7.046 3.295 ( 0.000 0.000 -1.634) 1.634 3.350 ( 0.000 0.000 -4.064) 4.064 3.358 ( 0.000 0.000 -2.893) 2.893 3.391 ( 0.000 0.000 -3.112) 3.112 3.439 ( 0.000 0.000 0.705) 0.705 3.494 ( 0.000 0.000 0.166) 0.166 3.505 ( 0.000 0.000 3.594) 3.594 3.559 ( 0.000 0.000 2.112) 2.112 3.563 ( 0.000 0.000 -5.449) 5.449 3.598 ( 0.000 0.000 2.805) 2.805 3.667 ( 0.000 0.000 1.070) 1.070 3.690 ( 0.000 0.000 -9.741) 9.741 3.715 ( 0.000 0.000 -2.830) 2.830 3.735 ( 0.000 0.000 0.521) 0.521 3.834 ( 0.000 0.000 -1.085) 1.085 3.854 ( 0.000 0.000 -8.260) 8.260 3.907 ( 0.000 0.000 3.420) 3.420 3.965 ( 0.000 0.000 -0.673) 0.673 4.012 ( 0.000 0.000 -1.265) 1.265 4.031 ( 0.000 0.000 -1.019) 1.019 4.123 ( 0.000 0.000 0.835) 0.835 4.135 ( 0.000 0.000 -1.445) 1.445 4.172 ( 0.000 0.000 3.972) 3.972 4.179 ( 0.000 0.000 1.363) 1.363 4.219 ( 0.000 0.000 1.066) 1.066 4.239 ( 0.000 0.000 2.638) 2.638 4.242 ( 0.000 0.000 5.401) 5.401 4.256 ( 0.000 0.000 -1.481) 1.481 4.258 ( 0.000 0.000 3.839) 3.839 4.283 ( 0.000 0.000 2.769) 2.769 4.364 ( 0.000 0.000 4.408) 4.408 4.388 ( 0.000 0.000 -0.876) 0.876 4.388 ( 0.000 0.000 -2.890) 2.890 4.427 ( 0.000 0.000 2.267) 2.267 4.483 ( 0.000 0.000 -1.023) 1.023 4.509 ( 0.000 0.000 -2.817) 2.817 4.515 ( 0.000 0.000 5.289) 5.289 4.540 ( 0.000 0.000 1.495) 1.495 4.541 ( 0.000 0.000 -2.592) 2.592 4.567 ( 0.000 0.000 0.674) 0.674 4.646 ( 0.000 0.000 1.026) 1.026 4.651 ( 0.000 0.000 0.311) 0.311 4.662 ( 0.000 0.000 -2.087) 2.087 4.671 ( 0.000 0.000 0.720) 0.720 4.676 ( 0.000 0.000 1.235) 1.235 4.753 ( 0.000 0.000 -3.068) 3.068 4.776 ( 0.000 0.000 5.146) 5.146 4.780 ( 0.000 0.000 -4.975) 4.975 4.786 ( 0.000 0.000 2.871) 2.871 4.836 ( 0.000 0.000 -7.246) 7.246 4.865 ( 0.000 0.000 -0.313) 0.313 4.875 ( 0.000 0.000 1.951) 1.951 4.932 ( 0.000 0.000 -1.761) 1.761 4.935 ( 0.000 0.000 -1.940) 1.940 4.946 ( 0.000 0.000 -0.241) 0.241 4.950 ( 0.000 0.000 -0.057) 0.057 4.953 ( 0.000 0.000 -3.869) 3.869 5.003 ( 0.000 0.000 1.254) 1.254 5.008 ( 0.000 0.000 -1.593) 1.593 5.013 ( 0.000 0.000 -4.291) 4.291 5.040 ( 0.000 0.000 -0.604) 0.604 5.054 ( 0.000 0.000 -2.175) 2.175 5.068 ( 0.000 0.000 -1.400) 1.400 5.080 ( 0.000 0.000 -1.661) 1.661 5.122 ( 0.000 0.000 0.817) 0.817 5.147 ( 0.000 0.000 1.654) 1.654 5.152 ( 0.000 0.000 1.911) 1.911 5.185 ( 0.000 0.000 -1.462) 1.462 5.266 ( 0.000 0.000 -0.088) 0.088 5.268 ( 0.000 0.000 -0.536) 0.536 5.284 ( 0.000 0.000 3.312) 3.312 5.389 ( 0.000 0.000 -1.660) 1.660 5.395 ( 0.000 0.000 -0.127) 0.127 5.440 ( 0.000 0.000 2.234) 2.234 5.455 ( 0.000 0.000 0.043) 0.043 5.511 ( 0.000 0.000 4.000) 4.000 5.529 ( 0.000 0.000 0.974) 0.974 5.611 ( 0.000 0.000 3.832) 3.832 5.633 ( 0.000 0.000 -2.172) 2.172 5.674 ( 0.000 0.000 -2.950) 2.950 5.702 ( 0.000 0.000 -0.736) 0.736 5.705 ( 0.000 0.000 3.295) 3.295 5.754 ( 0.000 0.000 -0.037) 0.037 5.790 ( 0.000 0.000 -0.045) 0.045 5.825 ( 0.000 0.000 0.360) 0.360 5.829 ( 0.000 0.000 1.417) 1.417 5.861 ( 0.000 0.000 0.610) 0.610 5.921 ( 0.000 0.000 -2.028) 2.028 5.949 ( 0.000 0.000 2.776) 2.776 6.026 ( 0.000 0.000 3.940) 3.940 6.051 ( 0.000 0.000 -2.805) 2.805 6.054 ( 0.000 0.000 3.221) 3.221 6.146 ( 0.000 0.000 1.466) 1.466 6.213 ( 0.000 0.000 -3.269) 3.269 6.240 ( 0.000 0.000 -2.512) 2.512 6.282 ( 0.000 0.000 -4.039) 4.039 6.461 ( 0.000 0.000 4.229) 4.229 6.526 ( 0.000 0.000 1.707) 1.707 6.539 ( 0.000 0.000 1.924) 1.924 6.583 ( 0.000 0.000 -0.762) 0.762 6.611 ( 0.000 0.000 -0.348) 0.348 6.630 ( 0.000 0.000 5.781) 5.781 6.722 ( 0.000 0.000 -6.107) 6.107 6.843 ( 0.000 0.000 -1.756) 1.756 6.853 ( 0.000 0.000 1.158) 1.158 6.883 ( 0.000 0.000 1.723) 1.723 6.890 ( 0.000 0.000 2.625) 2.625 6.953 ( 0.000 0.000 4.592) 4.592 6.954 ( 0.000 0.000 0.667) 0.667 6.977 ( 0.000 0.000 0.746) 0.746 6.999 ( 0.000 0.000 -0.815) 0.815 7.001 ( 0.000 0.000 -0.410) 0.410 7.242 ( 0.000 0.000 6.235) 6.235 7.310 ( 0.000 0.000 -3.743) 3.743 7.388 ( 0.000 0.000 -0.425) 0.425 7.430 ( 0.000 0.000 -6.080) 6.080 7.543 ( 0.000 0.000 4.415) 4.415 7.708 ( 0.000 0.000 -5.651) 5.651 7.747 ( 0.000 0.000 0.490) 0.490 7.867 ( 0.000 0.000 -3.755) 3.755 8.048 ( 0.000 0.000 1.322) 1.322 8.107 ( 0.000 0.000 6.056) 6.056 8.140 ( 0.000 0.000 0.858) 0.858 8.176 ( 0.000 0.000 -2.968) 2.968 8.399 ( 0.000 0.000 1.574) 1.574 8.489 ( 0.000 0.000 0.887) 0.887 8.491 ( 0.000 0.000 -0.655) 0.655 8.645 ( 0.000 0.000 -4.105) 4.105 11.568 ( 0.000 0.000 1.826) 1.826 11.586 ( 0.000 0.000 0.695) 0.695 11.699 ( 0.000 0.000 -0.052) 0.052 11.719 ( 0.000 0.000 -0.467) 0.467 11.816 ( 0.000 0.000 1.549) 1.549 11.874 ( 0.000 0.000 2.818) 2.818 11.928 ( 0.000 0.000 -3.641) 3.641 12.084 ( 0.000 0.000 -7.131) 7.131 12.230 ( 0.000 0.000 4.252) 4.252 12.285 ( 0.000 0.000 6.354) 6.354 12.425 ( 0.000 0.000 -1.499) 1.499 12.462 ( 0.000 0.000 -1.022) 1.022 12.571 ( 0.000 0.000 0.671) 0.671 12.606 ( 0.000 0.000 0.269) 0.269 12.668 ( 0.000 0.000 2.050) 2.050 12.705 ( 0.000 0.000 -3.599) 3.599 12.717 ( 0.000 0.000 1.081) 1.081 12.718 ( 0.000 0.000 -2.796) 2.796 12.738 ( 0.000 0.000 -1.261) 1.261 12.791 ( 0.000 0.000 -3.781) 3.781 13.420 ( 0.000 0.000 1.163) 1.163 13.506 ( 0.000 0.000 -0.891) 0.891 13.520 ( 0.000 0.000 -2.756) 2.756 13.546 ( 0.000 0.000 -2.460) 2.460 14.104 ( 0.000 0.000 0.831) 0.831 14.142 ( 0.000 0.000 -0.185) 0.185 14.142 ( 0.000 0.000 -0.446) 0.446 14.166 ( 0.000 0.000 -2.469) 2.469 14.239 ( 0.000 0.000 2.018) 2.018 14.242 ( 0.000 0.000 2.739) 2.739 14.270 ( 0.000 0.000 0.947) 0.947 14.302 ( 0.000 0.000 1.304) 1.304 ======================= Grid point 22 (10/24) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( 3.002 0.000 16.175) 16.451 0.517 ( 11.824 0.000 10.134) 15.573 0.770 ( 1.252 0.000 27.300) 27.328 0.845 ( -2.195 0.000 3.735) 4.332 0.974 ( -0.323 0.000 2.602) 2.622 0.982 ( 1.720 0.000 10.099) 10.244 1.000 ( 5.995 0.000 1.805) 6.260 1.001 ( 0.928 0.000 -8.590) 8.640 1.031 ( 6.164 0.000 -0.190) 6.167 1.175 ( 0.477 0.000 0.361) 0.598 1.217 ( -6.329 0.000 -0.413) 6.342 1.285 ( -0.817 0.000 2.752) 2.871 1.287 ( -4.751 0.000 1.078) 4.871 1.338 ( -0.155 0.000 -0.570) 0.591 1.355 ( -0.732 0.000 -0.456) 0.862 1.429 ( -1.428 0.000 -0.901) 1.688 1.449 ( 0.570 0.000 -2.542) 2.605 1.481 ( -1.514 0.000 0.759) 1.694 1.523 ( 0.148 0.000 1.459) 1.466 1.554 ( -3.076 0.000 -0.656) 3.145 1.571 ( -1.295 0.000 1.732) 2.163 1.583 ( -2.537 0.000 0.409) 2.570 1.596 ( -4.195 0.000 2.426) 4.846 1.633 ( 3.546 0.000 2.327) 4.241 1.633 ( 3.949 0.000 2.243) 4.542 1.657 ( 0.998 0.000 4.831) 4.933 1.700 ( -0.309 0.000 2.881) 2.898 1.723 ( -0.124 0.000 0.066) 0.141 1.733 ( -1.814 0.000 -1.446) 2.320 1.741 ( 1.550 0.000 -0.581) 1.656 1.766 ( -1.406 0.000 0.244) 1.427 1.779 ( -0.071 0.000 -0.201) 0.213 1.801 ( -0.701 0.000 -0.056) 0.703 1.814 ( -0.732 0.000 -4.700) 4.756 1.830 ( 0.886 0.000 2.133) 2.309 1.835 ( -0.230 0.000 -0.268) 0.353 1.897 ( -0.042 0.000 2.548) 2.549 1.911 ( -0.247 0.000 -1.923) 1.939 1.963 ( 0.948 0.000 0.176) 0.964 1.966 ( -1.953 0.000 -1.286) 2.338 2.007 ( -2.208 0.000 0.652) 2.303 2.019 ( 1.060 0.000 -2.616) 2.823 2.020 ( -3.993 0.000 -5.320) 6.651 2.043 ( -0.284 0.000 0.469) 0.548 2.095 ( -2.683 0.000 -0.582) 2.745 2.131 ( -3.186 0.000 -2.588) 4.105 2.170 ( 0.581 0.000 1.459) 1.571 2.197 ( -1.000 0.000 -1.075) 1.468 2.203 ( -1.026 0.000 -0.335) 1.079 2.233 ( -1.693 0.000 -0.512) 1.769 2.260 ( -0.338 0.000 -1.958) 1.986 2.301 ( 0.573 0.000 -3.486) 3.533 2.327 ( 0.366 0.000 1.867) 1.903 2.439 ( -1.421 0.000 -0.703) 1.585 2.448 ( -3.396 0.000 5.781) 6.704 2.462 ( -0.045 0.000 -1.445) 1.446 2.469 ( -6.317 0.000 3.714) 7.328 2.517 ( 2.387 0.000 0.284) 2.404 2.531 ( -1.090 0.000 -0.265) 1.121 2.545 ( -1.575 0.000 -1.924) 2.487 2.551 ( -4.299 0.000 -1.979) 4.733 2.603 ( 0.291 0.000 -0.951) 0.995 2.688 ( 1.741 0.000 -2.309) 2.891 2.697 ( -0.701 0.000 -4.982) 5.031 2.760 ( -0.868 0.000 -1.982) 2.164 2.798 ( -0.907 0.000 6.050) 6.117 2.800 ( -0.726 0.000 -3.193) 3.275 2.827 ( 4.068 0.000 2.252) 4.650 2.835 ( -0.244 0.000 3.855) 3.863 2.924 ( 2.170 0.000 1.983) 2.940 2.935 ( 0.243 0.000 1.547) 1.566 2.951 ( 0.842 0.000 1.621) 1.826 2.960 ( -2.404 0.000 1.168) 2.673 3.011 ( 0.168 0.000 1.524) 1.533 3.028 ( 2.274 0.000 -1.549) 2.751 3.051 ( 3.022 0.000 2.809) 4.126 3.164 ( 2.013 0.000 -5.011) 5.400 3.179 ( 2.988 0.000 -4.455) 5.364 3.206 ( 2.556 0.000 -6.104) 6.618 3.245 ( 6.768 0.000 0.399) 6.780 3.294 ( 0.168 0.000 -1.689) 1.697 3.358 ( 0.912 0.000 -2.430) 2.595 3.386 ( -0.708 0.000 -1.625) 1.773 3.408 ( 0.068 0.000 -2.495) 2.496 3.412 ( 1.564 0.000 -0.058) 1.565 3.458 ( -0.169 0.000 0.918) 0.934 3.533 ( -2.182 0.000 3.207) 3.879 3.558 ( -0.620 0.000 -2.508) 2.583 3.573 ( -4.584 0.000 -1.705) 4.891 3.590 ( 4.709 0.000 -0.599) 4.747 3.607 ( -1.277 0.000 -0.313) 1.315 3.671 ( -0.743 0.000 0.626) 0.971 3.678 ( -1.298 0.000 -6.019) 6.157 3.774 ( 3.077 0.000 1.117) 3.273 3.805 ( -1.094 0.000 -2.661) 2.877 3.863 ( 0.205 0.000 -6.415) 6.418 3.884 ( -1.894 0.000 3.889) 4.325 3.936 ( -2.560 0.000 0.842) 2.695 4.004 ( -2.097 0.000 -2.051) 2.933 4.066 ( 0.448 0.000 -0.580) 0.733 4.106 ( 0.009 0.000 0.219) 0.219 4.136 ( -3.518 0.000 2.874) 4.543 4.163 ( -0.171 0.000 -1.957) 1.964 4.167 ( -3.209 0.000 0.474) 3.244 4.186 ( 0.186 0.000 0.979) 0.996 4.201 ( -2.578 0.000 0.772) 2.691 4.232 ( -1.436 0.000 1.685) 2.214 4.247 ( 0.414 0.000 1.787) 1.834 4.269 ( 0.856 0.000 1.628) 1.840 4.270 ( 0.330 0.000 2.343) 2.366 4.349 ( -1.579 0.000 1.465) 2.154 4.361 ( -0.673 0.000 -0.400) 0.783 4.400 ( -0.583 0.000 0.809) 0.997 4.438 ( -2.029 0.000 -0.727) 2.156 4.481 ( -0.320 0.000 -0.274) 0.421 4.488 ( -1.273 0.000 -0.362) 1.324 4.507 ( -1.980 0.000 1.323) 2.381 4.557 ( 3.787 0.000 1.219) 3.979 4.563 ( 2.271 0.000 -0.575) 2.342 4.579 ( 1.069 0.000 0.904) 1.400 4.592 ( -3.324 0.000 -0.478) 3.358 4.644 ( -0.932 0.000 0.544) 1.079 4.659 ( 0.171 0.000 1.785) 1.793 4.662 ( -1.408 0.000 -0.779) 1.609 4.704 ( 3.186 0.000 -0.343) 3.205 4.749 ( -0.927 0.000 1.861) 2.079 4.756 ( -1.478 0.000 -2.075) 2.547 4.803 ( -0.679 0.000 -1.176) 1.358 4.805 ( 2.132 0.000 -4.457) 4.941 4.851 ( 0.961 0.000 -1.309) 1.624 4.865 ( 0.267 0.000 -1.295) 1.322 4.878 ( -0.913 0.000 -2.327) 2.499 4.883 ( -1.883 0.000 -3.748) 4.195 4.902 ( -1.993 0.000 -1.964) 2.798 4.923 ( -0.489 0.000 -0.149) 0.511 4.937 ( -2.208 0.000 0.023) 2.209 4.985 ( -1.916 0.000 -3.382) 3.887 4.992 ( 0.290 0.000 -0.886) 0.932 5.013 ( -1.425 0.000 2.225) 2.642 5.019 ( 1.584 0.000 -1.292) 2.044 5.046 ( 0.374 0.000 0.830) 0.911 5.057 ( 0.405 0.000 -0.572) 0.701 5.087 ( 2.246 0.000 -0.715) 2.357 5.090 ( 1.148 0.000 -0.896) 1.456 5.106 ( 1.627 0.000 3.377) 3.749 5.153 ( -0.326 0.000 -1.459) 1.495 5.218 ( 2.415 0.000 1.600) 2.896 5.248 ( 4.106 0.000 -0.587) 4.148 5.288 ( 2.149 0.000 2.641) 3.405 5.296 ( 4.260 0.000 -0.736) 4.323 5.313 ( 2.549 0.000 -0.084) 2.550 5.392 ( 0.676 0.000 -0.669) 0.951 5.441 ( 2.903 0.000 1.958) 3.501 5.452 ( 2.138 0.000 2.994) 3.679 5.469 ( 2.070 0.000 1.689) 2.671 5.536 ( 0.003 0.000 2.307) 2.307 5.542 ( 2.350 0.000 2.989) 3.803 5.624 ( 1.177 0.000 3.745) 3.925 5.663 ( -1.523 0.000 0.622) 1.646 5.664 ( -0.488 0.000 -2.236) 2.288 5.668 ( 2.552 0.000 -2.731) 3.737 5.745 ( 1.901 0.000 1.615) 2.495 5.770 ( 0.943 0.000 0.107) 0.949 5.809 ( -0.424 0.000 0.195) 0.466 5.817 ( 2.092 0.000 -1.516) 2.583 5.831 ( -0.991 0.000 2.453) 2.646 5.874 ( 1.363 0.000 -1.114) 1.760 5.917 ( 1.514 0.000 -0.665) 1.654 5.993 ( 3.661 0.000 3.237) 4.887 6.026 ( -1.783 0.000 3.506) 3.933 6.059 ( 3.349 0.000 1.498) 3.669 6.102 ( 2.735 0.000 -1.071) 2.937 6.183 ( -1.144 0.000 0.152) 1.155 6.189 ( 1.480 0.000 0.015) 1.480 6.284 ( 4.053 0.000 1.312) 4.260 6.309 ( 3.932 0.000 -1.826) 4.335 6.413 ( -0.948 0.000 2.561) 2.731 6.514 ( -1.245 0.000 2.124) 2.462 6.536 ( 0.683 0.000 2.930) 3.009 6.585 ( 1.525 0.000 -2.442) 2.879 6.588 ( 3.339 0.000 -0.328) 3.355 6.683 ( 3.846 0.000 3.485) 5.190 6.729 ( 1.323 0.000 -6.245) 6.383 6.840 ( 0.052 0.000 4.836) 4.837 6.897 ( 2.312 0.000 -2.393) 3.327 6.918 ( 2.671 0.000 1.607) 3.117 6.919 ( 0.495 0.000 3.134) 3.173 6.974 ( 2.692 0.000 1.113) 2.913 6.988 ( 1.254 0.000 3.581) 3.794 6.996 ( 2.872 0.000 0.599) 2.934 7.018 ( 2.850 0.000 1.973) 3.466 7.042 ( 3.090 0.000 -2.823) 4.185 7.258 ( 1.409 0.000 4.740) 4.945 7.308 ( -0.408 0.000 -1.606) 1.657 7.398 ( 1.214 0.000 -0.466) 1.300 7.484 ( 1.175 0.000 -6.004) 6.118 7.528 ( -1.505 0.000 4.255) 4.513 7.679 ( -3.923 0.000 -3.592) 5.319 7.733 ( -1.879 0.000 -0.630) 1.982 7.815 ( -4.986 0.000 -3.290) 5.974 7.893 ( -8.912 0.000 9.623) 13.116 8.013 ( -3.250 0.000 0.689) 3.322 8.093 ( -4.327 0.000 0.577) 4.366 8.237 ( -8.558 0.000 -2.915) 9.041 8.407 ( -7.740 0.000 -1.049) 7.811 8.412 ( -7.433 0.000 -0.163) 7.434 8.523 ( -10.944 0.000 -3.913) 11.622 8.530 ( 4.701 0.000 -15.826) 16.510 11.576 ( 0.885 0.000 1.873) 2.071 11.613 ( 2.525 0.000 0.360) 2.551 11.660 ( -2.291 0.000 4.042) 4.647 11.726 ( 0.639 0.000 -0.743) 0.980 11.812 ( -0.352 0.000 1.575) 1.613 11.866 ( -1.244 0.000 2.476) 2.771 11.916 ( -1.212 0.000 -2.794) 3.046 12.086 ( -0.270 0.000 -7.893) 7.898 12.242 ( 0.471 0.000 4.062) 4.089 12.293 ( 1.201 0.000 4.462) 4.621 12.325 ( -8.685 0.000 10.740) 13.812 12.435 ( 0.448 0.000 -2.133) 2.180 12.473 ( 0.707 0.000 -1.608) 1.756 12.506 ( -8.485 0.000 3.429) 9.152 12.530 ( -3.403 0.000 -0.202) 3.409 12.617 ( -1.827 0.000 -0.528) 1.902 12.744 ( 0.013 0.000 -0.189) 0.190 12.758 ( 0.149 0.000 0.092) 0.175 12.791 ( -2.118 0.000 -1.334) 2.503 12.805 ( 0.536 0.000 -2.070) 2.139 13.274 ( -11.416 0.000 2.109) 11.609 13.340 ( -11.706 0.000 -0.447) 11.714 13.422 ( -9.243 0.000 -3.574) 9.910 13.540 ( -10.751 0.000 -12.154) 16.227 14.115 ( 1.163 0.000 1.100) 1.601 14.163 ( 1.167 0.000 -0.754) 1.390 14.174 ( 1.512 0.000 -1.456) 2.099 14.184 ( 1.130 0.000 -2.042) 2.334 14.251 ( 1.121 0.000 2.884) 3.094 14.285 ( 3.076 0.000 0.419) 3.104 14.288 ( 1.365 0.000 1.171) 1.799 14.321 ( 2.531 0.000 0.420) 2.566 ======================= Grid point 23 (11/24) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 4.685 0.000 14.255) 15.005 0.752 ( 8.545 0.000 10.555) 13.580 0.818 ( 3.685 0.000 11.402) 11.983 0.848 ( 1.438 0.000 0.925) 1.710 0.939 ( -1.565 0.000 -2.488) 2.940 0.966 ( -3.270 0.000 -0.894) 3.390 1.017 ( 1.284 0.000 6.655) 6.778 1.101 ( 3.466 0.000 -8.643) 9.312 1.120 ( -2.150 0.000 1.607) 2.684 1.131 ( -3.875 0.000 3.238) 5.050 1.218 ( -3.489 0.000 2.646) 4.379 1.228 ( 3.797 0.000 1.943) 4.265 1.298 ( 7.984 0.000 4.316) 9.076 1.335 ( -1.958 0.000 -2.945) 3.537 1.348 ( 1.242 0.000 4.664) 4.827 1.376 ( -2.298 0.000 -0.731) 2.411 1.405 ( -2.368 0.000 -2.348) 3.335 1.452 ( -1.332 0.000 0.346) 1.377 1.454 ( -5.620 0.000 0.540) 5.646 1.470 ( -4.349 0.000 0.513) 4.379 1.496 ( -1.967 0.000 2.377) 3.085 1.523 ( -3.533 0.000 -2.804) 4.510 1.565 ( -2.129 0.000 1.783) 2.777 1.627 ( -1.615 0.000 2.988) 3.396 1.663 ( 1.223 0.000 3.819) 4.010 1.675 ( -2.287 0.000 -0.486) 2.338 1.677 ( -2.953 0.000 -3.577) 4.638 1.697 ( -2.764 0.000 -1.896) 3.351 1.731 ( -1.761 0.000 -0.677) 1.887 1.760 ( 0.918 0.000 0.740) 1.179 1.785 ( 2.319 0.000 2.466) 3.385 1.789 ( 2.833 0.000 -0.383) 2.859 1.828 ( -0.239 0.000 0.864) 0.896 1.836 ( 1.218 0.000 1.520) 1.948 1.843 ( 0.148 0.000 2.453) 2.457 1.857 ( 5.257 0.000 2.308) 5.741 1.880 ( -1.405 0.000 2.672) 3.019 1.893 ( -2.107 0.000 -1.485) 2.577 1.934 ( -0.534 0.000 -1.062) 1.189 1.955 ( -1.686 0.000 1.881) 2.526 1.958 ( -1.439 0.000 -2.977) 3.306 1.971 ( -1.121 0.000 -0.299) 1.160 2.032 ( -3.012 0.000 -0.670) 3.085 2.038 ( -2.350 0.000 0.408) 2.385 2.059 ( 0.642 0.000 -0.197) 0.672 2.079 ( -0.890 0.000 0.809) 1.203 2.143 ( -2.856 0.000 2.181) 3.593 2.155 ( 1.429 0.000 -1.984) 2.445 2.185 ( -1.665 0.000 -0.552) 1.754 2.194 ( -1.047 0.000 -0.555) 1.185 2.252 ( -0.317 0.000 -0.096) 0.332 2.263 ( -2.654 0.000 0.817) 2.776 2.294 ( -2.707 0.000 2.296) 3.549 2.331 ( -4.655 0.000 1.282) 4.828 2.405 ( -1.966 0.000 -0.328) 1.993 2.439 ( 1.550 0.000 0.597) 1.661 2.479 ( 0.610 0.000 -0.382) 0.720 2.492 ( 0.047 0.000 -0.117) 0.127 2.511 ( 0.266 0.000 0.076) 0.277 2.524 ( -0.603 0.000 -0.479) 0.770 2.556 ( 0.817 0.000 1.180) 1.435 2.626 ( 0.980 0.000 -2.460) 2.648 2.666 ( -1.965 0.000 -5.929) 6.246 2.701 ( -0.069 0.000 -3.944) 3.944 2.705 ( -3.299 0.000 -4.787) 5.814 2.757 ( -2.390 0.000 4.218) 4.848 2.769 ( -1.335 0.000 -2.591) 2.914 2.846 ( 0.338 0.000 1.854) 1.885 2.868 ( -4.429 0.000 -0.470) 4.454 2.923 ( -2.372 0.000 2.723) 3.611 2.945 ( 1.104 0.000 -0.652) 1.282 2.949 ( 1.129 0.000 2.450) 2.698 3.033 ( 2.446 0.000 0.952) 2.625 3.038 ( 5.608 0.000 1.166) 5.728 3.086 ( 2.213 0.000 0.280) 2.231 3.130 ( 3.680 0.000 0.626) 3.733 3.171 ( -0.172 0.000 -0.389) 0.425 3.239 ( 2.670 0.000 -4.805) 5.497 3.274 ( 0.274 0.000 0.268) 0.383 3.285 ( 4.440 0.000 -4.497) 6.320 3.330 ( 1.593 0.000 1.034) 1.900 3.380 ( 2.065 0.000 -2.714) 3.410 3.389 ( 0.483 0.000 0.405) 0.630 3.424 ( -2.851 0.000 0.538) 2.901 3.462 ( 4.475 0.000 -2.379) 5.068 3.479 ( 2.433 0.000 -1.082) 2.663 3.513 ( 4.144 0.000 -1.456) 4.392 3.539 ( 3.080 0.000 2.634) 4.053 3.567 ( 0.801 0.000 -3.820) 3.903 3.623 ( -0.785 0.000 -2.494) 2.614 3.643 ( -0.370 0.000 0.328) 0.494 3.686 ( 3.249 0.000 1.256) 3.483 3.730 ( 7.167 0.000 -1.578) 7.339 3.797 ( 0.023 0.000 -2.367) 2.367 3.833 ( 0.750 0.000 0.221) 0.782 3.842 ( -0.265 0.000 4.169) 4.177 3.847 ( -1.541 0.000 -3.434) 3.764 3.873 ( -3.153 0.000 3.518) 4.724 3.936 ( -3.722 0.000 -1.271) 3.933 4.019 ( -3.689 0.000 -1.016) 3.826 4.059 ( -2.991 0.000 1.105) 3.189 4.077 ( -5.066 0.000 1.104) 5.185 4.105 ( 0.059 0.000 -1.476) 1.478 4.126 ( -3.893 0.000 0.273) 3.903 4.140 ( -6.040 0.000 1.299) 6.178 4.170 ( 0.747 0.000 -2.329) 2.446 4.229 ( 3.212 0.000 -1.956) 3.761 4.266 ( -0.553 0.000 1.191) 1.313 4.284 ( 0.035 0.000 0.251) 0.254 4.285 ( 0.005 0.000 -2.862) 2.862 4.330 ( -0.862 0.000 -2.216) 2.377 4.333 ( -1.058 0.000 1.229) 1.622 4.385 ( -2.024 0.000 -0.793) 2.173 4.390 ( -0.437 0.000 0.704) 0.828 4.461 ( -0.910 0.000 1.666) 1.899 4.463 ( -1.847 0.000 0.485) 1.910 4.491 ( -0.819 0.000 -2.699) 2.821 4.513 ( -2.031 0.000 1.504) 2.527 4.577 ( -0.230 0.000 -1.546) 1.563 4.590 ( -0.003 0.000 -1.343) 1.343 4.611 ( -1.552 0.000 -0.115) 1.556 4.627 ( -1.780 0.000 0.161) 1.788 4.683 ( 4.096 0.000 1.625) 4.406 4.684 ( 2.528 0.000 -1.317) 2.850 4.711 ( -1.575 0.000 -1.677) 2.301 4.755 ( 1.215 0.000 1.191) 1.702 4.763 ( 0.989 0.000 -1.534) 1.825 4.784 ( -4.353 0.000 -1.535) 4.616 4.786 ( 1.665 0.000 1.091) 1.991 4.824 ( -3.836 0.000 -3.129) 4.950 4.828 ( -3.041 0.000 -2.063) 3.675 4.843 ( -0.612 0.000 -2.199) 2.282 4.885 ( 0.724 0.000 0.256) 0.768 4.905 ( -0.637 0.000 -2.029) 2.127 4.909 ( 0.506 0.000 -2.545) 2.595 4.920 ( -0.264 0.000 -2.743) 2.756 4.943 ( -1.444 0.000 -2.533) 2.916 4.945 ( -2.075 0.000 1.125) 2.360 5.006 ( -0.714 0.000 0.004) 0.714 5.009 ( -0.894 0.000 -3.034) 3.163 5.075 ( 1.331 0.000 0.549) 1.440 5.090 ( 1.899 0.000 -0.264) 1.917 5.126 ( 0.868 0.000 4.240) 4.328 5.133 ( 1.263 0.000 1.597) 2.036 5.151 ( 3.522 0.000 2.933) 4.584 5.159 ( 1.571 0.000 1.856) 2.431 5.244 ( -0.430 0.000 -1.033) 1.119 5.294 ( 1.016 0.000 -3.679) 3.817 5.323 ( 0.851 0.000 3.787) 3.882 5.379 ( 2.680 0.000 -0.004) 2.680 5.382 ( 2.416 0.000 -1.117) 2.662 5.440 ( 3.962 0.000 -0.069) 3.963 5.495 ( 3.661 0.000 7.472) 8.321 5.531 ( 3.846 0.000 2.400) 4.533 5.532 ( 0.832 0.000 2.974) 3.088 5.542 ( 3.302 0.000 3.172) 4.579 5.584 ( 1.567 0.000 2.314) 2.794 5.642 ( -0.403 0.000 0.884) 0.971 5.642 ( -0.539 0.000 0.957) 1.099 5.659 ( 1.599 0.000 2.006) 2.565 5.731 ( 2.746 0.000 -1.670) 3.214 5.776 ( -1.765 0.000 3.924) 4.302 5.780 ( 0.047 0.000 0.087) 0.099 5.791 ( 1.329 0.000 0.825) 1.564 5.840 ( 2.040 0.000 0.561) 2.116 5.864 ( 1.844 0.000 -2.815) 3.365 5.878 ( -1.401 0.000 -0.919) 1.675 5.936 ( -0.937 0.000 -1.680) 1.924 6.065 ( 3.769 0.000 -0.568) 3.812 6.070 ( 0.520 0.000 2.072) 2.136 6.091 ( 0.883 0.000 -0.275) 0.925 6.117 ( 3.502 0.000 1.671) 3.880 6.216 ( 2.933 0.000 1.297) 3.207 6.245 ( 4.461 0.000 -0.722) 4.519 6.320 ( -2.022 0.000 1.548) 2.547 6.419 ( 5.098 0.000 -3.314) 6.080 6.470 ( 7.255 0.000 2.726) 7.750 6.540 ( 3.845 0.000 2.622) 4.654 6.612 ( 4.753 0.000 0.683) 4.802 6.657 ( 3.106 0.000 0.377) 3.129 6.668 ( 5.758 0.000 -4.368) 7.227 6.761 ( 2.885 0.000 2.144) 3.594 6.795 ( 5.046 0.000 -4.981) 7.090 6.880 ( 2.915 0.000 7.074) 7.651 6.882 ( -1.518 0.000 1.019) 1.828 6.909 ( 0.163 0.000 1.769) 1.777 6.963 ( 0.690 0.000 -0.999) 1.214 7.036 ( 3.104 0.000 4.910) 5.809 7.044 ( 2.140 0.000 2.662) 3.415 7.090 ( 5.118 0.000 -2.134) 5.545 7.092 ( 5.291 0.000 0.926) 5.372 7.107 ( 2.627 0.000 -0.222) 2.636 7.261 ( -2.688 0.000 -1.415) 3.038 7.316 ( 2.423 0.000 6.052) 6.519 7.441 ( 1.394 0.000 -1.565) 2.096 7.468 ( -2.689 0.000 -4.425) 5.178 7.481 ( -3.001 0.000 3.262) 4.433 7.572 ( -3.745 0.000 -1.468) 4.022 7.669 ( -8.498 0.000 -1.677) 8.662 7.679 ( -2.220 0.000 -1.111) 2.483 7.715 ( -7.615 0.000 7.676) 10.813 7.925 ( -4.643 0.000 -1.528) 4.888 7.983 ( -5.401 0.000 -0.380) 5.414 8.000 ( -12.606 0.000 0.881) 12.637 8.186 ( -12.868 0.000 -2.104) 13.039 8.200 ( -12.279 0.000 -0.224) 12.281 8.250 ( -13.582 0.000 -3.333) 13.985 8.415 ( -13.148 0.000 -11.838) 17.692 11.607 ( 2.136 0.000 2.242) 3.096 11.645 ( 0.795 0.000 3.860) 3.941 11.686 ( 4.225 0.000 -0.424) 4.246 11.745 ( 1.312 0.000 -1.404) 1.921 11.793 ( -1.595 0.000 1.777) 2.388 11.818 ( -3.178 0.000 3.079) 4.425 11.877 ( -2.344 0.000 -1.329) 2.695 12.044 ( -4.271 0.000 -7.403) 8.547 12.234 ( 1.517 0.000 4.764) 4.999 12.329 ( 4.142 0.000 2.841) 5.023 12.337 ( 2.390 0.000 2.648) 3.567 12.400 ( 1.560 0.000 0.987) 1.846 12.462 ( 0.450 0.000 1.426) 1.495 12.472 ( -1.252 0.000 -0.899) 1.541 12.488 ( -0.451 0.000 -1.035) 1.129 12.594 ( -0.041 0.000 -1.629) 1.630 12.699 ( -4.464 0.000 -0.621) 4.507 12.726 ( -2.115 0.000 -1.382) 2.526 12.763 ( -3.019 0.000 0.581) 3.074 12.780 ( 0.761 0.000 0.352) 0.838 13.013 ( -12.670 0.000 1.066) 12.715 13.049 ( -15.052 0.000 -0.601) 15.064 13.166 ( -13.764 0.000 -3.901) 14.306 13.248 ( -14.581 0.000 -7.334) 16.322 14.133 ( 0.526 0.000 1.395) 1.491 14.173 ( -0.260 0.000 0.044) 0.264 14.190 ( 0.434 0.000 -0.964) 1.058 14.202 ( 0.448 0.000 -0.980) 1.078 14.286 ( 1.853 0.000 1.624) 2.464 14.313 ( 0.864 0.000 1.223) 1.497 14.321 ( 1.369 0.000 0.186) 1.382 14.379 ( 1.491 0.000 -1.878) 2.398 ======================= Grid point 24 (12/24) ======================= q-point: ( 0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 8.966 0.000 11.044) 14.225 0.814 ( -6.218 0.000 5.204) 8.109 0.847 ( 2.313 0.000 7.424) 7.776 0.876 ( 0.292 0.000 2.161) 2.181 0.948 ( -0.130 0.000 2.039) 2.043 0.953 ( 2.853 0.000 3.681) 4.657 0.961 ( -3.243 0.000 -1.148) 3.441 1.038 ( -4.770 0.000 3.477) 5.903 1.100 ( 2.480 0.000 9.066) 9.399 1.167 ( -3.207 0.000 5.107) 6.030 1.175 ( 5.001 0.000 -6.693) 8.355 1.287 ( -2.313 0.000 -2.809) 3.639 1.298 ( 0.147 0.000 -3.910) 3.913 1.329 ( -1.018 0.000 1.499) 1.812 1.356 ( -4.433 0.000 -2.250) 4.971 1.372 ( 3.539 0.000 -1.026) 3.684 1.378 ( 2.347 0.000 -1.554) 2.815 1.418 ( -4.051 0.000 0.836) 4.137 1.443 ( 0.127 0.000 -2.723) 2.726 1.457 ( -3.943 0.000 -1.467) 4.207 1.473 ( 0.591 0.000 1.909) 1.998 1.474 ( 4.877 0.000 -2.857) 5.652 1.499 ( -1.485 0.000 1.990) 2.483 1.573 ( -2.608 0.000 -2.512) 3.621 1.629 ( 0.047 0.000 -0.718) 0.719 1.635 ( 1.139 0.000 1.733) 2.074 1.674 ( -0.281 0.000 1.422) 1.450 1.691 ( -1.850 0.000 5.231) 5.549 1.708 ( -0.138 0.000 1.866) 1.871 1.769 ( -4.491 0.000 1.419) 4.710 1.773 ( 1.243 0.000 0.738) 1.446 1.794 ( -0.780 0.000 0.565) 0.963 1.805 ( -0.770 0.000 2.529) 2.644 1.837 ( -2.141 0.000 1.610) 2.678 1.845 ( 1.034 0.000 0.774) 1.291 1.875 ( -1.742 0.000 -1.127) 2.074 1.885 ( 2.766 0.000 -0.873) 2.900 1.889 ( 2.582 0.000 1.672) 3.077 1.935 ( -0.763 0.000 2.976) 3.072 1.938 ( 1.434 0.000 2.129) 2.567 1.943 ( -0.848 0.000 1.238) 1.500 1.965 ( -2.609 0.000 1.966) 3.267 1.976 ( -1.558 0.000 0.816) 1.758 1.983 ( -5.108 0.000 0.970) 5.199 2.047 ( 4.132 0.000 0.204) 4.137 2.068 ( 1.449 0.000 -0.882) 1.696 2.131 ( -3.803 0.000 0.064) 3.803 2.131 ( -2.426 0.000 0.293) 2.444 2.172 ( 1.149 0.000 0.647) 1.318 2.198 ( -1.826 0.000 1.006) 2.085 2.216 ( 1.123 0.000 -2.327) 2.584 2.231 ( -0.315 0.000 -0.600) 0.678 2.294 ( 1.734 0.000 1.729) 2.449 2.347 ( -3.049 0.000 0.849) 3.164 2.376 ( 6.701 0.000 0.818) 6.750 2.476 ( -1.239 0.000 0.628) 1.389 2.485 ( 2.374 0.000 -1.621) 2.874 2.515 ( -0.376 0.000 0.202) 0.427 2.516 ( 0.398 0.000 -1.557) 1.607 2.556 ( 3.499 0.000 -0.991) 3.637 2.580 ( 1.839 0.000 0.691) 1.965 2.581 ( -4.079 0.000 -3.779) 5.561 2.628 ( -1.755 0.000 -1.467) 2.287 2.657 ( -2.731 0.000 -3.565) 4.491 2.682 ( 0.635 0.000 0.276) 0.693 2.734 ( -1.651 0.000 2.678) 3.146 2.744 ( -0.896 0.000 -3.528) 3.640 2.765 ( -3.659 0.000 0.086) 3.660 2.826 ( -1.186 0.000 -2.556) 2.818 2.850 ( -2.647 0.000 1.906) 3.262 2.946 ( 0.393 0.000 -0.532) 0.662 2.958 ( -0.477 0.000 0.773) 0.908 3.084 ( 1.700 0.000 0.092) 1.702 3.105 ( -0.299 0.000 0.002) 0.299 3.129 ( 2.648 0.000 -0.319) 2.667 3.152 ( 0.072 0.000 0.148) 0.165 3.250 ( 4.830 0.000 1.913) 5.195 3.281 ( 1.257 0.000 -1.858) 2.243 3.288 ( 0.453 0.000 1.236) 1.317 3.311 ( -0.797 0.000 1.564) 1.755 3.395 ( 3.822 0.000 0.337) 3.837 3.429 ( 1.857 0.000 0.655) 1.969 3.448 ( 3.094 0.000 -3.652) 4.786 3.456 ( 0.281 0.000 -1.569) 1.594 3.474 ( 3.223 0.000 -2.112) 3.854 3.502 ( -1.154 0.000 -3.201) 3.403 3.525 ( -3.666 0.000 -0.492) 3.699 3.552 ( -2.203 0.000 -3.321) 3.986 3.627 ( 7.712 0.000 -1.636) 7.884 3.692 ( 3.003 0.000 1.061) 3.185 3.720 ( 5.814 0.000 3.488) 6.780 3.731 ( -0.213 0.000 -1.980) 1.992 3.768 ( -3.964 0.000 0.662) 4.019 3.799 ( 2.051 0.000 -0.696) 2.166 3.809 ( -3.036 0.000 2.770) 4.110 3.830 ( 1.038 0.000 -0.200) 1.057 3.856 ( 0.907 0.000 0.060) 0.909 3.872 ( 0.077 0.000 -0.936) 0.939 3.891 ( 1.153 0.000 -0.054) 1.154 3.946 ( -4.229 0.000 2.689) 5.011 3.969 ( -2.718 0.000 -2.814) 3.912 4.005 ( -5.296 0.000 2.331) 5.786 4.033 ( -1.921 0.000 1.178) 2.253 4.089 ( -2.773 0.000 -0.610) 2.840 4.114 ( 6.893 0.000 -0.745) 6.934 4.196 ( 1.477 0.000 -3.420) 3.725 4.238 ( -2.331 0.000 -3.156) 3.924 4.259 ( -4.311 0.000 -2.033) 4.766 4.281 ( 2.187 0.000 -0.955) 2.387 4.301 ( -0.015 0.000 -1.005) 1.005 4.309 ( 2.445 0.000 -1.405) 2.820 4.329 ( -0.997 0.000 -2.628) 2.811 4.331 ( -1.197 0.000 -0.617) 1.346 4.365 ( -1.252 0.000 -0.968) 1.582 4.393 ( -3.587 0.000 -0.793) 3.674 4.403 ( -4.589 0.000 -1.566) 4.849 4.504 ( 2.649 0.000 1.945) 3.287 4.524 ( 1.023 0.000 0.143) 1.033 4.576 ( 0.447 0.000 -1.957) 2.007 4.580 ( -0.138 0.000 0.074) 0.157 4.594 ( -1.200 0.000 -1.649) 2.040 4.630 ( 3.325 0.000 -2.278) 4.030 4.648 ( -4.731 0.000 -1.790) 5.058 4.708 ( -3.953 0.000 -2.462) 4.657 4.714 ( 0.232 0.000 -0.531) 0.579 4.720 ( 1.373 0.000 -2.184) 2.580 4.752 ( -1.376 0.000 -1.164) 1.802 4.759 ( -2.803 0.000 -0.309) 2.820 4.784 ( 3.288 0.000 2.183) 3.947 4.820 ( 1.118 0.000 0.566) 1.253 4.839 ( -0.156 0.000 0.388) 0.418 4.849 ( -2.772 0.000 0.632) 2.843 4.852 ( 2.854 0.000 -0.971) 3.015 4.882 ( -1.008 0.000 1.692) 1.969 4.897 ( 0.063 0.000 -2.999) 2.999 4.912 ( -0.829 0.000 -2.401) 2.540 4.949 ( 1.276 0.000 -1.881) 2.273 4.958 ( 1.957 0.000 -1.718) 2.604 4.982 ( -1.355 0.000 -2.072) 2.476 4.992 ( -1.077 0.000 -3.070) 3.253 5.103 ( 1.383 0.000 -0.617) 1.515 5.115 ( 0.785 0.000 -0.171) 0.803 5.129 ( -0.468 0.000 2.226) 2.275 5.135 ( -1.088 0.000 1.380) 1.757 5.191 ( 0.890 0.000 4.831) 4.912 5.210 ( -1.649 0.000 3.439) 3.814 5.228 ( 3.633 0.000 1.819) 4.063 5.289 ( -1.791 0.000 -0.313) 1.818 5.350 ( 1.982 0.000 1.932) 2.768 5.390 ( -1.324 0.000 1.211) 1.794 5.426 ( 2.473 0.000 -2.198) 3.309 5.474 ( -1.349 0.000 -3.150) 3.427 5.564 ( 2.484 0.000 3.091) 3.966 5.566 ( 2.472 0.000 4.534) 5.164 5.588 ( 0.583 0.000 3.145) 3.198 5.597 ( 0.112 0.000 2.949) 2.951 5.628 ( 2.732 0.000 2.726) 3.860 5.652 ( 0.642 0.000 1.417) 1.556 5.667 ( 4.240 0.000 4.311) 6.047 5.683 ( 1.228 0.000 2.803) 3.060 5.730 ( -2.397 0.000 3.952) 4.622 5.753 ( -1.934 0.000 -0.717) 2.062 5.785 ( 0.857 0.000 0.371) 0.934 5.816 ( -3.026 0.000 2.508) 3.930 5.822 ( 2.024 0.000 -0.407) 2.065 5.868 ( -0.898 0.000 0.291) 0.944 5.890 ( 0.948 0.000 -3.714) 3.834 5.912 ( -1.279 0.000 -4.395) 4.577 6.040 ( 0.372 0.000 2.127) 2.160 6.085 ( -2.498 0.000 3.386) 4.208 6.142 ( 4.633 0.000 -0.446) 4.655 6.219 ( 0.470 0.000 -0.808) 0.935 6.271 ( 0.426 0.000 0.854) 0.954 6.302 ( 0.411 0.000 -0.562) 0.696 6.343 ( 7.985 0.000 -2.406) 8.340 6.464 ( -2.123 0.000 -5.646) 6.032 6.622 ( 5.639 0.000 2.944) 6.361 6.639 ( 5.258 0.000 3.015) 6.061 6.678 ( 0.092 0.000 1.272) 1.275 6.726 ( -2.059 0.000 0.157) 2.064 6.732 ( 5.151 0.000 1.952) 5.509 6.835 ( 3.478 0.000 0.822) 3.574 6.839 ( -2.175 0.000 5.518) 5.931 6.890 ( 4.376 0.000 -4.483) 6.264 6.942 ( 3.959 0.000 -2.522) 4.694 6.956 ( -3.180 0.000 2.815) 4.247 6.962 ( 2.184 0.000 -0.886) 2.356 7.083 ( 6.314 0.000 3.164) 7.063 7.091 ( 2.656 0.000 3.598) 4.472 7.098 ( -4.270 0.000 -1.284) 4.459 7.165 ( -4.123 0.000 3.641) 5.501 7.231 ( 6.498 0.000 -0.696) 6.535 7.248 ( 8.770 0.000 0.725) 8.800 7.274 ( -10.519 0.000 -1.391) 10.611 7.353 ( -2.173 0.000 4.869) 5.332 7.424 ( 0.292 0.000 2.309) 2.328 7.438 ( -8.449 0.000 0.933) 8.501 7.506 ( -6.225 0.000 1.492) 6.401 7.569 ( 5.208 0.000 0.083) 5.208 7.671 ( 0.323 0.000 -2.512) 2.533 7.712 ( 3.814 0.000 -0.925) 3.924 7.815 ( 2.254 0.000 1.111) 2.513 7.867 ( 0.442 0.000 -3.304) 3.334 7.907 ( -12.886 0.000 -0.854) 12.914 7.912 ( -0.234 0.000 -2.354) 2.366 7.965 ( -8.764 0.000 -2.452) 9.101 8.007 ( -9.093 0.000 -2.449) 9.417 8.083 ( -16.914 0.000 -6.365) 18.072 11.662 ( 2.946 0.000 2.472) 3.846 11.680 ( 2.028 0.000 2.225) 3.011 11.746 ( -2.943 0.000 3.086) 4.264 11.749 ( -2.679 0.000 2.876) 3.930 11.764 ( 2.531 0.000 -0.954) 2.704 11.791 ( 2.151 0.000 -2.659) 3.421 11.836 ( 0.148 0.000 -0.557) 0.577 11.930 ( -5.954 0.000 -3.725) 7.024 12.304 ( 4.630 0.000 2.684) 5.352 12.401 ( -3.330 0.000 0.507) 3.369 12.407 ( 4.067 0.000 0.956) 4.178 12.454 ( -0.235 0.000 -1.629) 1.646 12.456 ( 5.738 0.000 1.788) 6.010 12.498 ( 2.740 0.000 -0.811) 2.858 12.511 ( 3.295 0.000 -0.071) 3.295 12.588 ( -4.693 0.000 -1.019) 4.803 12.637 ( 2.449 0.000 -0.815) 2.581 12.646 ( -2.687 0.000 1.770) 3.218 12.728 ( -4.339 0.000 -2.411) 4.964 12.768 ( -9.937 0.000 -1.404) 10.035 12.807 ( -2.852 0.000 1.630) 3.285 12.834 ( 4.178 0.000 -1.226) 4.354 12.910 ( -9.775 0.000 -2.440) 10.075 12.987 ( -10.171 0.000 -3.920) 10.900 14.143 ( 0.572 0.000 1.654) 1.750 14.159 ( -0.884 0.000 1.208) 1.497 14.198 ( 0.352 0.000 -0.552) 0.655 14.204 ( -0.180 0.000 -0.493) 0.525 14.314 ( 0.809 0.000 0.630) 1.025 14.322 ( 0.025 0.000 0.789) 0.789 14.352 ( 1.565 0.000 -0.859) 1.785 14.381 ( -0.967 0.000 -1.653) 1.915 ======================= Grid point 28 (13/24) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 16 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 0.000 -12.361 11.581) 16.939 0.566 ( 0.000 12.361 11.581) 16.939 0.685 ( 0.000 -11.922 13.949) 18.350 0.685 ( 0.000 11.922 13.949) 18.350 1.001 ( 0.000 -11.067 7.405) 13.316 1.001 ( 0.000 11.067 7.405) 13.316 1.077 ( 0.000 -8.288 1.126) 8.364 1.077 ( 0.000 8.288 1.126) 8.364 1.127 ( 0.000 -9.308 -3.389) 9.906 1.127 ( 0.000 9.308 -3.389) 9.906 1.186 ( 0.000 -0.129 5.180) 5.181 1.186 ( 0.000 0.129 5.180) 5.181 1.279 ( 0.000 -1.499 2.973) 3.330 1.279 ( 0.000 1.499 2.973) 3.330 1.350 ( 0.000 -5.189 2.717) 5.857 1.350 ( 0.000 5.189 2.717) 5.857 1.454 ( 0.000 -1.670 -1.972) 2.584 1.454 ( 0.000 1.670 -1.972) 2.584 1.506 ( 0.000 -2.020 1.852) 2.740 1.506 ( 0.000 2.020 1.852) 2.740 1.551 ( 0.000 -0.142 -3.229) 3.232 1.551 ( 0.000 0.142 -3.229) 3.232 1.619 ( 0.000 -1.677 0.938) 1.921 1.619 ( 0.000 1.677 0.938) 1.921 1.678 ( 0.000 -1.189 0.578) 1.322 1.678 ( 0.000 1.189 0.578) 1.322 1.729 ( 0.000 -0.778 0.158) 0.794 1.729 ( 0.000 0.778 0.158) 0.794 1.755 ( 0.000 -0.736 -1.191) 1.401 1.755 ( 0.000 0.736 -1.191) 1.401 1.776 ( 0.000 -2.276 1.907) 2.969 1.776 ( 0.000 2.276 1.907) 2.969 1.823 ( 0.000 -0.029 -0.865) 0.865 1.823 ( 0.000 0.029 -0.865) 0.865 1.848 ( 0.000 -0.692 0.275) 0.745 1.848 ( 0.000 0.692 0.275) 0.745 1.915 ( 0.000 -0.913 -0.705) 1.153 1.915 ( 0.000 0.913 -0.705) 1.153 1.964 ( 0.000 -3.810 0.380) 3.829 1.964 ( 0.000 3.810 0.380) 3.829 2.009 ( 0.000 -1.237 -1.558) 1.989 2.009 ( 0.000 1.237 -1.558) 1.989 2.050 ( 0.000 -3.836 -1.026) 3.971 2.050 ( 0.000 3.836 -1.026) 3.971 2.140 ( 0.000 -3.431 0.698) 3.501 2.140 ( 0.000 3.431 0.698) 3.501 2.160 ( 0.000 -0.700 -4.716) 4.767 2.160 ( 0.000 0.700 -4.716) 4.767 2.256 ( 0.000 -0.677 -3.553) 3.617 2.256 ( 0.000 0.677 -3.553) 3.617 2.307 ( 0.000 -2.307 -4.228) 4.817 2.307 ( 0.000 2.307 -4.228) 4.817 2.427 ( 0.000 -1.805 1.964) 2.667 2.427 ( 0.000 1.805 1.964) 2.667 2.445 ( 0.000 -6.924 1.987) 7.203 2.445 ( 0.000 6.924 1.987) 7.203 2.554 ( 0.000 -1.975 1.979) 2.796 2.554 ( 0.000 1.975 1.979) 2.796 2.577 ( 0.000 -1.173 0.749) 1.392 2.577 ( 0.000 1.173 0.749) 1.392 2.602 ( 0.000 -0.435 -1.825) 1.876 2.602 ( 0.000 0.435 -1.825) 1.876 2.685 ( 0.000 -4.996 -2.015) 5.387 2.685 ( 0.000 4.996 -2.015) 5.387 2.767 ( 0.000 -0.529 1.910) 1.981 2.767 ( 0.000 0.529 1.910) 1.981 2.778 ( 0.000 -6.235 -0.908) 6.301 2.778 ( 0.000 6.235 -0.908) 6.301 2.836 ( 0.000 -0.143 5.814) 5.816 2.836 ( 0.000 0.143 5.814) 5.816 2.911 ( 0.000 -0.377 4.177) 4.194 2.911 ( 0.000 0.377 4.177) 4.194 3.006 ( 0.000 -0.567 -3.253) 3.302 3.006 ( 0.000 0.567 -3.253) 3.302 3.064 ( 0.000 -3.413 -1.146) 3.600 3.064 ( 0.000 3.413 -1.146) 3.600 3.126 ( 0.000 -0.302 -1.648) 1.676 3.126 ( 0.000 0.302 -1.648) 1.676 3.193 ( 0.000 -0.300 -5.525) 5.533 3.193 ( 0.000 0.300 -5.525) 5.533 3.289 ( 0.000 -5.484 0.201) 5.488 3.289 ( 0.000 5.484 0.201) 5.488 3.394 ( 0.000 -1.431 -1.086) 1.796 3.394 ( 0.000 1.431 -1.086) 1.796 3.425 ( 0.000 -1.919 0.260) 1.937 3.425 ( 0.000 1.919 0.260) 1.937 3.530 ( 0.000 -1.927 1.234) 2.288 3.530 ( 0.000 1.927 1.234) 2.288 3.623 ( 0.000 -4.317 -6.227) 7.577 3.623 ( 0.000 4.317 -6.227) 7.577 3.661 ( 0.000 -2.846 1.392) 3.169 3.661 ( 0.000 2.846 1.392) 3.169 3.739 ( 0.000 -3.107 -1.593) 3.492 3.739 ( 0.000 3.107 -1.593) 3.492 3.804 ( 0.000 -3.411 -4.369) 5.543 3.804 ( 0.000 3.411 -4.369) 5.543 3.975 ( 0.000 -2.321 0.526) 2.380 3.975 ( 0.000 2.321 0.526) 2.380 3.999 ( 0.000 -1.386 -2.247) 2.640 3.999 ( 0.000 1.386 -2.247) 2.640 4.120 ( 0.000 -0.050 0.520) 0.522 4.120 ( 0.000 0.050 0.520) 0.522 4.170 ( 0.000 -0.859 3.545) 3.648 4.170 ( 0.000 0.859 3.545) 3.648 4.234 ( 0.000 -0.052 3.134) 3.135 4.234 ( 0.000 0.052 3.134) 3.135 4.257 ( 0.000 -0.539 2.564) 2.620 4.257 ( 0.000 0.539 2.564) 2.620 4.289 ( 0.000 -3.007 2.768) 4.087 4.289 ( 0.000 3.007 2.768) 4.087 4.363 ( 0.000 -4.535 0.535) 4.566 4.363 ( 0.000 4.535 0.535) 4.566 4.433 ( 0.000 -3.147 -2.124) 3.796 4.433 ( 0.000 3.147 -2.124) 3.796 4.450 ( 0.000 -4.649 -1.785) 4.980 4.450 ( 0.000 4.649 -1.785) 4.980 4.536 ( 0.000 -0.515 1.958) 2.025 4.536 ( 0.000 0.515 1.958) 2.025 4.570 ( 0.000 -2.664 1.667) 3.143 4.570 ( 0.000 2.664 1.667) 3.143 4.630 ( 0.000 -1.917 -1.114) 2.217 4.630 ( 0.000 1.917 -1.114) 2.217 4.669 ( 0.000 -1.085 0.725) 1.305 4.669 ( 0.000 1.085 0.725) 1.305 4.732 ( 0.000 -3.995 0.859) 4.086 4.732 ( 0.000 3.995 0.859) 4.086 4.777 ( 0.000 -0.364 1.021) 1.084 4.777 ( 0.000 0.364 1.021) 1.084 4.804 ( 0.000 -1.250 -3.118) 3.360 4.804 ( 0.000 1.250 -3.118) 3.360 4.871 ( 0.000 -0.237 -0.204) 0.313 4.871 ( 0.000 0.237 -0.204) 0.313 4.924 ( 0.000 -1.121 -4.130) 4.279 4.924 ( 0.000 1.121 -4.130) 4.279 4.947 ( 0.000 -0.402 -1.395) 1.451 4.947 ( 0.000 0.402 -1.395) 1.451 5.000 ( 0.000 -0.193 -1.569) 1.581 5.000 ( 0.000 0.193 -1.569) 1.581 5.011 ( 0.000 -1.974 0.844) 2.147 5.011 ( 0.000 1.974 0.844) 2.147 5.036 ( 0.000 -1.437 0.282) 1.464 5.036 ( 0.000 1.437 0.282) 1.464 5.064 ( 0.000 -1.400 -0.677) 1.555 5.064 ( 0.000 1.400 -0.677) 1.555 5.130 ( 0.000 -1.356 0.401) 1.414 5.130 ( 0.000 1.356 0.401) 1.414 5.187 ( 0.000 -0.588 -1.401) 1.520 5.187 ( 0.000 0.588 -1.401) 1.520 5.252 ( 0.000 -4.166 2.151) 4.688 5.252 ( 0.000 4.166 2.151) 4.688 5.327 ( 0.000 -2.445 -1.119) 2.689 5.327 ( 0.000 2.445 -1.119) 2.689 5.422 ( 0.000 -0.007 2.514) 2.514 5.422 ( 0.000 0.007 2.514) 2.514 5.481 ( 0.000 -3.580 -0.064) 3.581 5.481 ( 0.000 3.580 -0.064) 3.581 5.567 ( 0.000 -2.726 3.107) 4.134 5.567 ( 0.000 2.726 3.107) 4.134 5.653 ( 0.000 -1.568 -0.253) 1.588 5.653 ( 0.000 1.568 -0.253) 1.588 5.720 ( 0.000 -1.533 1.159) 1.922 5.720 ( 0.000 1.533 1.159) 1.922 5.767 ( 0.000 -2.509 -1.154) 2.761 5.767 ( 0.000 2.509 -1.154) 2.761 5.836 ( 0.000 -1.787 0.180) 1.796 5.836 ( 0.000 1.787 0.180) 1.796 5.865 ( 0.000 -0.234 0.311) 0.389 5.865 ( 0.000 0.234 0.311) 0.389 5.963 ( 0.000 -4.220 4.175) 5.937 5.963 ( 0.000 4.220 4.175) 5.937 6.129 ( 0.000 -5.807 -1.776) 6.073 6.129 ( 0.000 5.807 -1.776) 6.073 6.170 ( 0.000 -5.376 -0.581) 5.408 6.170 ( 0.000 5.376 -0.581) 5.408 6.208 ( 0.000 -0.561 -1.746) 1.834 6.208 ( 0.000 0.561 -1.746) 1.834 6.490 ( 0.000 -1.652 1.550) 2.266 6.490 ( 0.000 1.652 1.550) 2.266 6.556 ( 0.000 -0.363 -0.714) 0.801 6.556 ( 0.000 0.363 -0.714) 0.801 6.616 ( 0.000 -1.368 3.453) 3.714 6.616 ( 0.000 1.368 3.453) 3.714 6.790 ( 0.000 -1.308 -0.219) 1.326 6.790 ( 0.000 1.308 -0.219) 1.326 6.878 ( 0.000 -2.029 2.645) 3.334 6.878 ( 0.000 2.029 2.645) 3.334 6.916 ( 0.000 -2.833 1.763) 3.337 6.916 ( 0.000 2.833 1.763) 3.337 6.962 ( 0.000 -0.937 1.124) 1.463 6.962 ( 0.000 0.937 1.124) 1.463 6.996 ( 0.000 -0.449 -0.378) 0.587 6.996 ( 0.000 0.449 -0.378) 0.587 7.267 ( 0.000 -2.323 1.829) 2.957 7.267 ( 0.000 2.323 1.829) 2.957 7.410 ( 0.000 -2.308 -0.905) 2.479 7.410 ( 0.000 2.308 -0.905) 2.479 7.658 ( 0.000 -6.296 0.399) 6.309 7.658 ( 0.000 6.296 0.399) 6.309 7.815 ( 0.000 -4.601 -5.934) 7.509 7.815 ( 0.000 4.601 -5.934) 7.509 8.079 ( 0.000 -1.898 0.492) 1.961 8.079 ( 0.000 1.898 0.492) 1.961 8.233 ( 0.000 -2.721 -5.693) 6.309 8.233 ( 0.000 2.721 -5.693) 6.309 8.410 ( 0.000 -5.959 2.864) 6.611 8.410 ( 0.000 5.959 2.864) 6.611 8.594 ( 0.000 -4.430 -3.722) 5.786 8.594 ( 0.000 4.430 -3.722) 5.786 11.592 ( 0.000 -3.318 3.391) 4.744 11.592 ( 0.000 3.318 3.391) 4.744 11.648 ( 0.000 -4.086 -0.076) 4.086 11.648 ( 0.000 4.086 -0.076) 4.086 11.844 ( 0.000 -2.169 2.238) 3.116 11.844 ( 0.000 2.169 2.238) 3.116 12.044 ( 0.000 -3.816 -7.347) 8.279 12.044 ( 0.000 3.816 -7.347) 8.279 12.247 ( 0.000 -1.650 5.825) 6.054 12.247 ( 0.000 1.650 5.825) 6.054 12.449 ( 0.000 -1.266 -1.282) 1.801 12.449 ( 0.000 1.266 -1.282) 1.801 12.597 ( 0.000 -1.322 0.596) 1.450 12.597 ( 0.000 1.322 0.596) 1.450 12.661 ( 0.000 -1.180 2.958) 3.185 12.661 ( 0.000 1.180 2.958) 3.185 12.723 ( 0.000 -0.396 -3.751) 3.772 12.723 ( 0.000 0.396 -3.751) 3.772 12.753 ( 0.000 -1.857 -2.177) 2.861 12.753 ( 0.000 1.857 -2.177) 2.861 13.467 ( 0.000 -2.882 0.107) 2.884 13.467 ( 0.000 2.882 0.107) 2.884 13.537 ( 0.000 -0.701 -2.719) 2.808 13.537 ( 0.000 0.701 -2.719) 2.808 14.116 ( 0.000 -0.905 0.314) 0.958 14.116 ( 0.000 0.905 0.314) 0.958 14.162 ( 0.000 -0.414 -1.929) 1.973 14.162 ( 0.000 0.414 -1.929) 1.973 14.240 ( 0.000 -0.109 2.358) 2.360 14.240 ( 0.000 0.109 2.358) 2.360 14.289 ( 0.000 -1.003 1.008) 1.422 14.289 ( 0.000 1.003 1.008) 1.422 ======================= Grid point 30 (14/24) ======================= q-point: ( 0.14 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 0.497 -13.461 9.450) 16.454 0.546 ( 0.497 13.461 9.450) 16.454 0.733 ( 3.776 -9.324 12.971) 16.415 0.733 ( 3.776 9.324 12.971) 16.415 0.989 ( -2.881 -2.386 -2.078) 4.279 0.989 ( -2.881 2.386 -2.078) 4.279 1.082 ( 0.473 -12.358 5.226) 13.426 1.082 ( 0.473 12.358 5.226) 13.426 1.149 ( 3.094 -0.575 0.044) 3.148 1.149 ( 3.094 0.575 0.044) 3.148 1.237 ( 2.190 -4.844 3.411) 6.317 1.237 ( 2.190 4.844 3.411) 6.317 1.293 ( 3.023 -3.219 3.322) 5.526 1.293 ( 3.023 3.219 3.322) 5.526 1.382 ( 2.457 -4.337 2.137) 5.424 1.382 ( 2.457 4.337 2.137) 5.424 1.444 ( -4.570 -3.791 2.381) 6.397 1.444 ( -4.570 3.791 2.381) 6.397 1.454 ( -0.742 -1.181 -2.486) 2.850 1.454 ( -0.742 1.181 -2.486) 2.850 1.565 ( 0.571 -1.283 -0.008) 1.404 1.565 ( 0.571 1.283 -0.008) 1.404 1.606 ( -2.805 -1.623 0.647) 3.305 1.606 ( -2.805 1.623 0.647) 3.305 1.644 ( -1.241 -1.920 0.756) 2.408 1.644 ( -1.241 1.920 0.756) 2.408 1.710 ( -1.402 -1.786 0.003) 2.271 1.710 ( -1.402 1.786 0.003) 2.271 1.762 ( -0.012 -0.874 0.693) 1.115 1.762 ( -0.012 0.874 0.693) 1.115 1.782 ( -0.551 -0.631 -0.851) 1.194 1.782 ( -0.551 0.631 -0.851) 1.194 1.809 ( 0.229 -1.563 -0.137) 1.586 1.809 ( 0.229 1.563 -0.137) 1.586 1.842 ( -0.079 -2.140 0.005) 2.142 1.842 ( -0.079 2.140 0.005) 2.142 1.908 ( -0.185 -0.787 -0.457) 0.929 1.908 ( -0.185 0.787 -0.457) 0.929 1.974 ( 0.618 -2.985 1.183) 3.270 1.974 ( 0.618 2.985 1.183) 3.270 1.999 ( -1.448 -2.004 -0.786) 2.594 1.999 ( -1.448 2.004 -0.786) 2.594 2.040 ( -0.934 -1.744 -4.194) 4.637 2.040 ( -0.934 1.744 -4.194) 4.637 2.087 ( -2.660 -2.827 -0.401) 3.903 2.087 ( -2.660 2.827 -0.401) 3.903 2.175 ( -0.962 -2.738 -0.040) 2.902 2.175 ( -0.962 2.738 -0.040) 2.902 2.238 ( -1.514 -1.732 -3.043) 3.815 2.238 ( -1.514 1.732 -3.043) 3.815 2.288 ( -3.069 -1.438 -4.497) 5.631 2.288 ( -3.069 1.438 -4.497) 5.631 2.398 ( -0.156 -2.374 3.490) 4.223 2.398 ( -0.156 2.374 3.490) 4.223 2.451 ( -1.785 -1.867 3.570) 4.406 2.451 ( -1.785 1.867 3.570) 4.406 2.520 ( -1.926 -1.333 1.507) 2.785 2.520 ( -1.926 1.333 1.507) 2.785 2.552 ( -0.720 -1.285 -0.196) 1.486 2.552 ( -0.720 1.285 -0.196) 1.486 2.622 ( -1.351 -3.375 -3.359) 4.950 2.622 ( -1.351 3.375 -3.359) 4.950 2.667 ( 0.139 -7.486 -0.981) 7.551 2.667 ( 0.139 7.486 -0.981) 7.551 2.750 ( -0.679 -1.784 -1.476) 2.413 2.750 ( -0.679 1.784 -1.476) 2.413 2.793 ( 0.251 -1.386 1.662) 2.179 2.793 ( 0.251 1.386 1.662) 2.179 2.872 ( 2.478 -2.774 1.677) 4.080 2.872 ( 2.478 2.774 1.677) 4.080 2.928 ( 1.777 -1.243 3.401) 4.033 2.928 ( 1.777 1.243 3.401) 4.033 3.004 ( 1.210 -1.247 -1.154) 2.086 3.004 ( 1.210 1.247 -1.154) 2.086 3.059 ( 0.023 -4.600 -0.782) 4.667 3.059 ( 0.023 4.600 -0.782) 4.667 3.144 ( 1.605 -3.370 -2.455) 4.467 3.144 ( 1.605 3.370 -2.455) 4.467 3.253 ( 4.182 -2.128 -5.313) 7.088 3.253 ( 4.182 2.128 -5.313) 7.088 3.312 ( 1.495 -4.909 1.303) 5.295 3.312 ( 1.495 4.909 1.303) 5.295 3.381 ( -0.992 -1.221 -0.080) 1.575 3.381 ( -0.992 1.221 -0.080) 1.575 3.450 ( 2.526 -1.285 0.084) 2.835 3.450 ( 2.526 1.285 0.084) 2.835 3.539 ( -2.355 -1.972 -0.839) 3.184 3.539 ( -2.355 1.972 -0.839) 3.184 3.581 ( -1.374 -0.479 -0.139) 1.461 3.581 ( -1.374 0.479 -0.139) 1.461 3.634 ( 0.393 -3.934 -5.396) 6.690 3.634 ( 0.393 3.934 -5.396) 6.690 3.727 ( -0.506 -4.625 1.130) 4.788 3.727 ( -0.506 4.625 1.130) 4.788 3.818 ( 0.661 -2.467 -2.453) 3.541 3.818 ( 0.661 2.467 -2.453) 3.541 3.950 ( -1.930 -1.299 -0.182) 2.334 3.950 ( -1.930 1.299 -0.182) 2.334 4.013 ( -0.662 -0.972 -0.715) 1.376 4.013 ( -0.662 0.972 -0.715) 1.376 4.109 ( -0.721 -1.589 0.007) 1.744 4.109 ( -0.721 1.589 0.007) 1.744 4.151 ( -1.430 -0.785 0.927) 1.876 4.151 ( -1.430 0.785 0.927) 1.876 4.212 ( -2.797 -1.070 2.206) 3.719 4.212 ( -2.797 1.070 2.206) 3.719 4.258 ( -0.059 -0.884 1.190) 1.484 4.258 ( -0.059 0.884 1.190) 1.484 4.273 ( -0.703 -1.068 1.914) 2.301 4.273 ( -0.703 1.068 1.914) 2.301 4.357 ( -0.673 -1.436 1.213) 1.997 4.357 ( -0.673 1.436 1.213) 1.997 4.421 ( -0.554 -2.270 -1.080) 2.574 4.421 ( -0.554 2.270 -1.080) 2.574 4.460 ( 0.792 -1.041 -0.793) 1.529 4.460 ( 0.792 1.041 -0.793) 1.529 4.548 ( 1.060 -2.047 1.343) 2.668 4.548 ( 1.060 2.047 1.343) 2.668 4.577 ( -1.893 -2.707 0.042) 3.304 4.577 ( -1.893 2.707 0.042) 3.304 4.590 ( -0.145 -1.143 0.108) 1.157 4.590 ( -0.145 1.143 0.108) 1.157 4.674 ( -0.079 -1.409 -0.581) 1.527 4.674 ( -0.079 1.409 -0.581) 1.527 4.730 ( 0.001 -1.704 0.134) 1.709 4.730 ( 0.001 1.704 0.134) 1.709 4.778 ( 0.811 -1.101 -2.764) 3.084 4.778 ( 0.811 1.101 -2.764) 3.084 4.832 ( 0.249 -0.033 0.753) 0.794 4.832 ( 0.249 0.033 0.753) 0.794 4.861 ( -0.905 -0.761 -1.130) 1.635 4.861 ( -0.905 0.761 -1.130) 1.635 4.893 ( -1.182 -0.437 -4.010) 4.203 4.893 ( -1.182 0.437 -4.010) 4.203 4.960 ( -0.266 -0.404 -1.077) 1.180 4.960 ( -0.266 0.404 -1.077) 1.180 4.979 ( -1.049 -2.879 -0.348) 3.084 4.979 ( -1.049 2.879 -0.348) 3.084 5.008 ( -0.994 -3.288 0.984) 3.573 5.008 ( -0.994 3.288 0.984) 3.573 5.050 ( 1.331 -0.726 0.102) 1.520 5.050 ( 1.331 0.726 0.102) 1.520 5.080 ( 0.651 -1.761 -0.215) 1.890 5.080 ( 0.651 1.761 -0.215) 1.890 5.160 ( 2.284 -3.465 -0.065) 4.151 5.160 ( 2.284 3.465 -0.065) 4.151 5.189 ( 0.975 -2.657 -1.729) 3.317 5.189 ( 0.975 2.657 -1.729) 3.317 5.291 ( 3.056 -1.741 2.506) 4.319 5.291 ( 3.056 1.741 2.506) 4.319 5.374 ( 3.221 -1.138 -0.822) 3.514 5.374 ( 3.221 1.138 -0.822) 3.514 5.440 ( 2.537 -1.314 2.923) 4.088 5.440 ( 2.537 1.314 2.923) 4.088 5.499 ( 1.365 -2.595 2.045) 3.574 5.499 ( 1.365 2.595 2.045) 3.574 5.587 ( 1.553 -2.254 2.941) 4.017 5.587 ( 1.553 2.254 2.941) 4.017 5.648 ( -0.415 -1.058 -0.605) 1.288 5.648 ( -0.415 1.058 -0.605) 1.288 5.718 ( 0.535 -2.803 0.855) 2.979 5.718 ( 0.535 2.803 0.855) 2.979 5.801 ( 2.153 -2.433 -1.463) 3.564 5.801 ( 2.153 2.433 -1.463) 3.564 5.847 ( 1.286 -1.388 0.419) 1.938 5.847 ( 1.286 1.388 0.419) 1.938 5.865 ( 0.026 -1.882 0.134) 1.887 5.865 ( 0.026 1.882 0.134) 1.887 5.994 ( 3.106 -1.609 3.446) 4.911 5.994 ( 3.106 1.609 3.446) 4.911 6.147 ( 0.758 -6.398 -0.840) 6.497 6.147 ( 0.758 6.398 -0.840) 6.497 6.172 ( 0.249 -4.499 0.030) 4.506 6.172 ( 0.249 4.499 0.030) 4.506 6.247 ( 3.012 -1.680 -2.479) 4.248 6.247 ( 3.012 1.680 -2.479) 4.248 6.481 ( 1.719 -7.207 2.235) 7.739 6.481 ( 1.719 7.207 2.235) 7.739 6.597 ( 3.027 -0.725 -2.693) 4.116 6.597 ( 3.027 0.725 -2.693) 4.116 6.638 ( 2.139 -2.831 3.577) 5.038 6.638 ( 2.139 2.831 3.577) 5.038 6.782 ( 0.256 -3.852 0.228) 3.867 6.782 ( 0.256 3.852 0.228) 3.867 6.874 ( -1.094 -2.957 2.769) 4.196 6.874 ( -1.094 2.957 2.769) 4.196 6.959 ( 1.276 -1.683 1.662) 2.687 6.959 ( 1.276 1.683 1.662) 2.687 6.982 ( 3.406 -0.353 0.768) 3.509 6.982 ( 3.406 0.353 0.768) 3.509 7.039 ( 3.862 -0.492 -1.007) 4.022 7.039 ( 3.862 0.492 -1.007) 4.022 7.271 ( 0.448 -1.725 2.679) 3.217 7.271 ( 0.448 1.725 2.679) 3.217 7.417 ( 0.707 -2.138 -0.423) 2.291 7.417 ( 0.707 2.138 -0.423) 2.291 7.641 ( -1.709 -5.439 -0.057) 5.702 7.641 ( -1.709 5.439 -0.057) 5.702 7.764 ( -4.998 -3.215 -3.794) 7.051 7.764 ( -4.998 3.215 -3.794) 7.051 8.029 ( -5.171 -4.057 0.760) 6.617 8.029 ( -5.171 4.057 0.760) 6.617 8.104 ( -8.151 -6.807 1.348) 10.705 8.104 ( -8.151 6.807 1.348) 10.705 8.416 ( -4.859 -0.992 -2.563) 5.583 8.416 ( -4.859 0.992 -2.563) 5.583 8.520 ( -6.319 -0.321 -6.364) 8.974 8.520 ( -6.319 0.321 -6.364) 8.974 11.594 ( 0.424 -2.143 3.367) 4.014 11.594 ( 0.424 2.143 3.367) 4.014 11.665 ( 1.687 -3.303 -0.391) 3.730 11.665 ( 1.687 3.303 -0.391) 3.730 11.838 ( -0.837 -1.846 2.263) 3.038 11.838 ( -0.837 1.846 2.263) 3.038 12.037 ( -1.153 -4.530 -7.483) 8.823 12.037 ( -1.153 4.530 -7.483) 8.823 12.255 ( 0.692 -1.097 4.878) 5.047 12.255 ( 0.692 1.097 4.878) 5.047 12.430 ( -8.279 -5.075 5.557) 11.189 12.430 ( -8.279 5.075 5.557) 11.189 12.459 ( -0.374 -1.735 -1.223) 2.156 12.459 ( -0.374 1.735 -1.223) 2.156 12.570 ( -2.434 -2.965 -0.818) 3.922 12.570 ( -2.434 2.965 -0.818) 3.922 12.754 ( 0.260 -0.507 0.012) 0.569 12.754 ( 0.260 0.507 0.012) 0.569 12.798 ( -0.684 -0.644 -1.657) 1.905 12.798 ( -0.684 0.644 -1.657) 1.905 13.307 ( -11.256 -2.196 0.936) 11.506 13.307 ( -11.256 2.196 0.936) 11.506 13.469 ( -9.926 -3.773 -6.678) 12.544 13.469 ( -9.926 3.773 -6.678) 12.544 14.133 ( 1.550 -1.434 0.517) 2.175 14.133 ( 1.550 1.434 0.517) 2.175 14.181 ( 0.892 -0.206 -1.752) 1.976 14.181 ( 0.892 0.206 -1.752) 1.976 14.268 ( 2.417 -0.959 1.664) 3.088 14.268 ( 2.417 0.959 1.664) 3.088 14.304 ( 1.439 -0.963 0.901) 1.952 14.304 ( 1.439 0.963 0.901) 1.952 ======================= Grid point 32 (15/24) ======================= q-point: ( 0.29 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 3.416 -11.253 6.079) 13.239 0.594 ( 3.416 11.253 6.079) 13.239 0.819 ( 3.347 -4.662 6.475) 8.652 0.819 ( 3.347 4.662 6.475) 8.652 0.959 ( 1.129 -3.852 3.623) 5.407 0.959 ( 1.129 3.852 3.623) 5.407 1.092 ( 0.998 -8.565 4.304) 9.638 1.092 ( 0.998 8.565 4.304) 9.638 1.160 ( -1.679 -2.466 -2.480) 3.879 1.160 ( -1.679 2.466 -2.480) 3.879 1.249 ( -2.000 -1.844 -0.587) 2.783 1.249 ( -2.000 1.844 -0.587) 2.783 1.319 ( -2.157 -1.154 0.687) 2.541 1.319 ( -2.157 1.154 0.687) 2.541 1.387 ( 1.273 -4.303 3.699) 5.816 1.387 ( 1.273 4.303 3.699) 5.816 1.419 ( -1.674 -3.263 0.413) 3.691 1.419 ( -1.674 3.263 0.413) 3.691 1.444 ( 0.394 -3.626 -0.254) 3.657 1.444 ( 0.394 3.626 -0.254) 3.657 1.526 ( -2.795 -3.542 1.499) 4.755 1.526 ( -2.795 3.542 1.499) 4.755 1.592 ( 1.209 -2.677 0.862) 3.062 1.592 ( 1.209 2.677 0.862) 3.062 1.613 ( -1.529 -4.821 0.115) 5.059 1.613 ( -1.529 4.821 0.115) 5.059 1.686 ( -0.151 -2.269 0.336) 2.299 1.686 ( -0.151 2.269 0.336) 2.299 1.734 ( -2.275 -1.779 -1.186) 3.122 1.734 ( -2.275 1.779 -1.186) 3.122 1.777 ( 0.708 -1.424 2.160) 2.683 1.777 ( 0.708 1.424 2.160) 2.683 1.829 ( 1.186 -2.180 0.099) 2.484 1.829 ( 1.186 2.180 0.099) 2.484 1.864 ( -0.498 -1.843 0.030) 1.910 1.864 ( -0.498 1.843 0.030) 1.910 1.898 ( -0.232 -2.773 1.179) 3.023 1.898 ( -0.232 2.773 1.179) 3.023 1.936 ( -3.490 -1.796 -0.022) 3.925 1.936 ( -3.490 1.796 -0.022) 3.925 1.980 ( -0.718 -2.848 -0.239) 2.947 1.980 ( -0.718 2.848 -0.239) 2.947 2.034 ( 0.808 -2.110 0.958) 2.454 2.034 ( 0.808 2.110 0.958) 2.454 2.063 ( 0.516 -1.982 -0.347) 2.077 2.063 ( 0.516 1.982 -0.347) 2.077 2.134 ( -2.029 -3.045 -0.113) 3.661 2.134 ( -2.029 3.045 -0.113) 3.661 2.174 ( -4.600 -2.810 -1.136) 5.508 2.174 ( -4.600 2.810 -1.136) 5.508 2.220 ( -2.240 -0.080 -2.170) 3.120 2.220 ( -2.240 0.080 -2.170) 3.120 2.357 ( -2.215 -2.091 2.762) 4.112 2.357 ( -2.215 2.091 2.762) 4.112 2.443 ( -0.258 -1.082 0.892) 1.426 2.443 ( -0.258 1.082 0.892) 1.426 2.483 ( -0.083 -1.334 2.198) 2.573 2.483 ( -0.083 1.334 2.198) 2.573 2.542 ( -0.178 -1.905 -1.908) 2.702 2.542 ( -0.178 1.905 -1.908) 2.702 2.599 ( -1.078 -5.994 -2.442) 6.561 2.599 ( -1.078 5.994 -2.442) 6.561 2.667 ( -0.388 -3.974 -1.476) 4.257 2.667 ( -0.388 3.974 -1.476) 4.257 2.741 ( -1.112 -0.686 -2.529) 2.847 2.741 ( -1.112 0.686 -2.529) 2.847 2.784 ( -0.883 -3.044 -0.492) 3.207 2.784 ( -0.883 3.044 -0.492) 3.207 2.887 ( -0.561 -1.372 1.895) 2.406 2.887 ( -0.561 1.372 1.895) 2.406 2.974 ( 1.266 -2.359 -0.378) 2.704 2.974 ( 1.266 2.359 -0.378) 2.704 3.046 ( 1.138 -3.032 0.586) 3.291 3.046 ( 1.138 3.032 0.586) 3.291 3.073 ( 1.954 -2.158 0.739) 3.004 3.073 ( 1.954 2.158 0.739) 3.004 3.197 ( 3.350 -3.394 -1.341) 4.954 3.197 ( 3.350 3.394 -1.341) 4.954 3.291 ( 0.806 -1.420 -1.554) 2.254 3.291 ( 0.806 1.420 -1.554) 2.254 3.357 ( 1.063 -1.949 0.480) 2.271 3.357 ( 1.063 1.949 0.480) 2.271 3.395 ( 3.861 -1.969 -3.183) 5.377 3.395 ( 3.861 1.969 -3.183) 5.377 3.471 ( 0.228 -0.949 2.115) 2.329 3.471 ( 0.228 0.949 2.115) 2.329 3.527 ( 2.525 -2.571 -0.412) 3.627 3.527 ( 2.525 2.571 -0.412) 3.627 3.599 ( -0.123 -2.878 -3.661) 4.659 3.599 ( -0.123 2.878 -3.661) 4.659 3.659 ( 2.618 -3.505 -1.766) 4.717 3.659 ( 2.618 3.505 -1.766) 4.717 3.760 ( 4.207 -3.022 0.135) 5.182 3.760 ( 4.207 3.022 0.135) 5.182 3.821 ( -0.341 -1.192 1.144) 1.687 3.821 ( -0.341 1.192 1.144) 1.687 3.897 ( -2.888 -2.045 -0.351) 3.556 3.897 ( -2.888 2.045 -0.351) 3.556 3.965 ( -3.188 -1.524 0.519) 3.572 3.965 ( -3.188 1.524 0.519) 3.572 4.073 ( -2.502 -0.729 0.190) 2.613 4.073 ( -2.502 0.729 0.190) 2.613 4.122 ( -4.576 -0.748 -0.521) 4.666 4.122 ( -4.576 0.748 -0.521) 4.666 4.148 ( -0.029 -2.685 -0.386) 2.713 4.148 ( -0.029 2.685 -0.386) 2.713 4.253 ( 0.006 -1.784 -1.410) 2.274 4.253 ( 0.006 1.784 -1.410) 2.274 4.263 ( -0.461 -1.202 0.147) 1.296 4.263 ( -0.461 1.202 0.147) 1.296 4.328 ( -1.861 -2.155 -0.515) 2.894 4.328 ( -1.861 2.155 -0.515) 2.894 4.411 ( -1.186 -1.531 0.819) 2.102 4.411 ( -1.186 1.531 0.819) 2.102 4.465 ( -1.900 -2.554 -1.232) 3.414 4.465 ( -1.900 2.554 -1.232) 3.414 4.524 ( -0.326 -1.096 -0.012) 1.144 4.524 ( -0.326 1.096 -0.012) 1.144 4.579 ( 1.761 -0.626 1.468) 2.376 4.579 ( 1.761 0.626 1.468) 2.376 4.607 ( -0.418 -1.300 -0.354) 1.411 4.607 ( -0.418 1.300 -0.354) 1.411 4.679 ( 1.664 -3.680 -3.027) 5.047 4.679 ( 1.664 3.680 -3.027) 5.047 4.746 ( 0.606 -1.183 -0.176) 1.341 4.746 ( 0.606 1.183 -0.176) 1.341 4.777 ( -0.603 -1.836 -3.057) 3.617 4.777 ( -0.603 1.836 -3.057) 3.617 4.804 ( -2.498 -0.432 -0.434) 2.572 4.804 ( -2.498 0.432 -0.434) 2.572 4.839 ( -0.615 -0.960 -0.481) 1.238 4.839 ( -0.615 0.960 -0.481) 1.238 4.879 ( -0.182 -2.907 -3.344) 4.435 4.879 ( -0.182 2.907 -3.344) 4.435 4.935 ( -1.506 -0.750 -0.071) 1.684 4.935 ( -1.506 0.750 -0.071) 1.684 4.973 ( -1.337 -3.015 0.821) 3.399 4.973 ( -1.337 3.015 0.821) 3.399 4.986 ( 0.594 -3.656 -0.569) 3.747 4.986 ( 0.594 3.656 -0.569) 3.747 5.058 ( -0.302 -0.347 0.495) 0.675 5.058 ( -0.302 0.347 0.495) 0.675 5.083 ( -1.100 -2.710 0.165) 2.930 5.083 ( -1.100 2.710 0.165) 2.930 5.198 ( 1.931 -1.707 0.310) 2.595 5.198 ( 1.931 1.707 0.310) 2.595 5.239 ( 2.490 -1.532 -0.343) 2.944 5.239 ( 2.490 1.532 -0.343) 2.944 5.341 ( 1.752 -1.509 2.214) 3.201 5.341 ( 1.752 1.509 2.214) 3.201 5.438 ( 2.849 -0.851 -0.507) 3.016 5.438 ( 2.849 0.851 -0.507) 3.016 5.515 ( 2.602 -1.186 4.243) 5.116 5.515 ( 2.602 1.186 4.243) 5.116 5.536 ( 3.390 -1.090 3.778) 5.192 5.536 ( 3.390 1.090 3.778) 5.192 5.606 ( -0.078 -1.950 3.546) 4.048 5.606 ( -0.078 1.950 3.546) 4.048 5.653 ( 1.119 -1.479 -0.403) 1.898 5.653 ( 1.119 1.479 -0.403) 1.898 5.741 ( 1.070 -1.923 2.469) 3.308 5.741 ( 1.070 1.923 2.469) 3.308 5.814 ( -0.399 -3.454 -0.814) 3.571 5.814 ( -0.399 3.454 -0.814) 3.571 5.879 ( 1.656 -2.121 -1.926) 3.310 5.879 ( 1.656 2.121 -1.926) 3.310 5.901 ( 2.264 -2.649 -1.093) 3.652 5.901 ( 2.264 2.649 -1.093) 3.652 6.066 ( 3.086 -1.309 2.398) 4.122 6.066 ( 3.086 1.309 2.398) 4.122 6.157 ( 0.545 -4.276 0.266) 4.319 6.157 ( 0.545 4.276 0.266) 4.319 6.175 ( 0.759 -4.498 0.089) 4.563 6.175 ( 0.759 4.498 0.089) 4.563 6.319 ( 3.352 -2.865 -4.848) 6.553 6.319 ( 3.352 2.865 -4.848) 6.553 6.550 ( 3.609 -7.714 5.027) 9.890 6.550 ( 3.609 7.714 5.027) 9.890 6.689 ( 5.287 -0.549 -1.628) 5.559 6.689 ( 5.287 0.549 -1.628) 5.559 6.696 ( 2.970 -2.122 1.637) 4.000 6.696 ( 2.970 2.122 1.637) 4.000 6.814 ( 2.693 -2.816 -0.694) 3.958 6.814 ( 2.693 2.816 -0.694) 3.958 6.873 ( 2.104 -2.867 3.648) 5.095 6.873 ( 2.104 2.867 3.648) 5.095 6.975 ( 1.349 -0.514 0.473) 1.519 6.975 ( 1.349 0.514 0.473) 1.519 7.047 ( 1.754 -2.265 0.518) 2.911 7.047 ( 1.754 2.265 0.518) 2.911 7.129 ( 4.014 -0.477 -0.692) 4.101 7.129 ( 4.014 0.477 -0.692) 4.101 7.288 ( 1.220 -1.705 4.347) 4.826 7.288 ( 1.220 1.705 4.347) 4.826 7.443 ( 1.772 -0.477 0.106) 1.838 7.443 ( 1.772 0.477 0.106) 1.838 7.572 ( -6.758 -3.043 -1.583) 7.578 7.572 ( -6.758 3.043 -1.583) 7.578 7.638 ( -3.998 -1.587 -1.238) 4.476 7.638 ( -3.998 1.587 -1.238) 4.476 7.862 ( -9.556 -8.231 3.004) 12.965 7.862 ( -9.556 8.231 3.004) 12.965 7.962 ( -5.698 -2.268 -0.555) 6.158 7.962 ( -5.698 2.268 -0.555) 6.158 8.210 ( -12.523 -1.191 -1.382) 12.655 8.210 ( -12.523 1.191 -1.382) 12.655 8.321 ( -13.056 -5.798 -7.324) 16.054 8.321 ( -13.056 5.798 -7.324) 16.054 11.618 ( 1.921 -1.103 2.985) 3.717 11.618 ( 1.921 1.103 2.985) 3.717 11.715 ( 2.942 -1.785 -1.024) 3.590 11.715 ( 2.942 1.785 -1.024) 3.590 11.803 ( -2.439 -0.888 2.584) 3.663 11.803 ( -2.439 0.888 2.584) 3.663 11.978 ( -4.277 -5.189 -5.196) 8.498 11.978 ( -4.277 5.189 -5.196) 8.498 12.272 ( 1.642 -2.489 4.469) 5.372 12.272 ( 1.642 2.489 4.469) 5.372 12.381 ( 3.096 -1.694 2.437) 4.289 12.381 ( 3.096 1.694 2.437) 4.289 12.461 ( -0.231 -0.489 -0.520) 0.751 12.461 ( -0.231 0.489 -0.520) 0.751 12.537 ( -0.581 -3.502 -1.597) 3.893 12.537 ( -0.581 3.502 -1.597) 3.893 12.721 ( -4.667 -2.092 0.340) 5.126 12.721 ( -4.667 2.092 0.340) 5.126 12.761 ( -0.063 -1.448 -0.342) 1.489 12.761 ( -0.063 1.448 -0.342) 1.489 13.046 ( -13.230 -1.344 0.045) 13.298 13.046 ( -13.230 1.344 0.045) 13.298 13.197 ( -14.011 -2.913 -5.603) 15.369 13.197 ( -14.011 2.913 -5.603) 15.369 14.155 ( 0.629 -1.571 0.660) 1.817 14.155 ( 0.629 1.571 0.660) 1.817 14.189 ( -0.103 -0.583 -0.500) 0.775 14.189 ( -0.103 0.583 -0.500) 0.775 14.311 ( 1.513 -0.384 0.535) 1.650 14.311 ( 1.513 0.384 0.535) 1.650 14.341 ( 1.480 -2.320 -0.209) 2.760 14.341 ( 1.480 2.320 -0.209) 2.760 ======================= Grid point 34 (16/24) ======================= q-point: ( 0.43 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 5.668 -7.082 5.010) 10.363 0.686 ( 5.668 7.082 5.010) 10.363 0.808 ( -4.608 -3.382 3.705) 6.812 0.808 ( -4.608 3.382 3.705) 6.812 1.027 ( 4.142 -4.656 9.911) 11.707 1.027 ( 4.142 4.656 9.911) 11.707 1.099 ( -2.214 -6.554 5.585) 8.891 1.099 ( -2.214 6.554 5.585) 8.891 1.147 ( 2.605 -3.091 -2.843) 4.942 1.147 ( 2.605 3.091 -2.843) 4.942 1.208 ( -1.048 -6.976 -3.725) 7.977 1.208 ( -1.048 6.976 -3.725) 7.977 1.298 ( -0.686 -0.478 -2.856) 2.975 1.298 ( -0.686 0.478 -2.856) 2.975 1.327 ( -3.662 -1.349 -0.844) 3.992 1.327 ( -3.662 1.349 -0.844) 3.992 1.401 ( 0.112 -1.822 0.923) 2.045 1.401 ( 0.112 1.822 0.923) 2.045 1.444 ( -3.511 -0.701 1.786) 4.001 1.444 ( -3.511 0.701 1.786) 4.001 1.491 ( 1.947 -2.511 0.121) 3.180 1.491 ( 1.947 2.511 0.121) 3.180 1.545 ( -2.625 -3.299 -3.626) 5.561 1.545 ( -2.625 3.299 -3.626) 5.561 1.670 ( 3.038 -2.413 2.519) 4.625 1.670 ( 3.038 2.413 2.519) 4.625 1.698 ( 1.551 -4.638 0.617) 4.929 1.698 ( 1.551 4.638 0.617) 4.929 1.739 ( 2.793 -2.436 1.147) 3.880 1.739 ( 2.793 2.436 1.147) 3.880 1.770 ( -2.162 -1.468 2.605) 3.690 1.770 ( -2.162 1.468 2.605) 3.690 1.802 ( -3.455 -2.118 2.583) 4.806 1.802 ( -3.455 2.118 2.583) 4.806 1.827 ( -1.152 -2.151 2.827) 3.734 1.827 ( -1.152 2.151 2.827) 3.734 1.864 ( -2.181 -1.397 -1.731) 3.115 1.864 ( -2.181 1.397 -1.731) 3.115 1.885 ( -1.646 -1.867 0.032) 2.489 1.885 ( -1.646 1.867 0.032) 2.489 1.995 ( 1.534 -0.647 -0.114) 1.669 1.995 ( 1.534 0.647 -0.114) 1.669 2.032 ( -1.833 -1.634 0.900) 2.615 2.032 ( -1.833 1.634 0.900) 2.615 2.072 ( 1.128 -3.819 1.069) 4.123 2.072 ( 1.128 3.819 1.069) 4.123 2.101 ( -1.455 -3.592 1.551) 4.174 2.101 ( -1.455 3.592 1.551) 4.174 2.145 ( 1.515 -2.822 -0.557) 3.251 2.145 ( 1.515 2.822 -0.557) 3.251 2.180 ( -1.710 -2.424 -1.271) 3.227 2.180 ( -1.710 2.424 -1.271) 3.227 2.372 ( 3.344 -3.405 1.792) 5.098 2.372 ( 3.344 3.405 1.792) 5.098 2.433 ( -1.435 -4.348 0.016) 4.579 2.433 ( -1.435 4.348 0.016) 4.579 2.494 ( 1.297 -1.380 0.577) 1.980 2.494 ( 1.297 1.380 0.577) 1.980 2.531 ( -1.266 -2.034 -1.217) 2.687 2.531 ( -1.266 2.034 -1.217) 2.687 2.597 ( 1.387 -3.463 -1.466) 4.009 2.597 ( 1.387 3.463 -1.466) 4.009 2.653 ( -2.412 -1.801 -1.637) 3.427 2.653 ( -2.412 1.801 -1.637) 3.427 2.694 ( -0.527 -2.746 -3.266) 4.299 2.694 ( -0.527 2.746 -3.266) 4.299 2.739 ( -3.226 -2.517 -3.199) 5.194 2.739 ( -3.226 2.517 -3.199) 5.194 2.901 ( 1.932 -3.036 3.316) 4.893 2.901 ( 1.932 3.036 3.316) 4.893 2.948 ( -2.431 -1.689 2.524) 3.890 2.948 ( -2.431 1.689 2.524) 3.890 3.081 ( 1.768 -1.560 -1.365) 2.725 3.081 ( 1.768 1.560 -1.365) 2.725 3.101 ( 0.131 -1.074 -0.726) 1.303 3.101 ( 0.131 1.074 -0.726) 1.303 3.268 ( 3.339 -0.800 0.163) 3.438 3.268 ( 3.339 0.800 0.163) 3.438 3.313 ( -0.236 -0.886 0.617) 1.105 3.313 ( -0.236 0.886 0.617) 1.105 3.405 ( 3.226 -1.071 -0.774) 3.486 3.405 ( 3.226 1.071 -0.774) 3.486 3.445 ( 0.479 -1.392 0.111) 1.476 3.445 ( 0.479 1.392 0.111) 1.476 3.500 ( 0.700 -1.943 -3.271) 3.869 3.500 ( 0.700 1.943 -3.271) 3.869 3.529 ( -1.217 -2.031 -2.065) 3.142 3.529 ( -1.217 2.031 -2.065) 3.142 3.638 ( 4.655 -1.547 0.918) 4.990 3.638 ( 4.655 1.547 0.918) 4.990 3.732 ( 1.159 -1.343 -0.360) 1.811 3.732 ( 1.159 1.343 -0.360) 1.811 3.776 ( -1.145 -1.373 1.889) 2.601 3.776 ( -1.145 1.373 1.889) 2.601 3.824 ( -1.147 -2.127 -1.158) 2.680 3.824 ( -1.147 2.127 -1.158) 2.680 3.878 ( 1.586 -2.173 0.637) 2.765 3.878 ( 1.586 2.173 0.637) 2.765 3.934 ( 0.196 -2.380 -0.223) 2.399 3.934 ( 0.196 2.380 -0.223) 2.399 4.004 ( -2.699 -1.940 1.390) 3.602 4.004 ( -2.699 1.940 1.390) 3.602 4.038 ( -2.475 -2.307 -2.183) 4.026 4.038 ( -2.475 2.307 -2.183) 4.026 4.164 ( 1.624 -3.754 -0.703) 4.150 4.164 ( 1.624 3.754 -0.703) 4.150 4.223 ( -3.200 -2.572 -1.014) 4.229 4.223 ( -3.200 2.572 -1.014) 4.229 4.290 ( 2.773 -1.230 -1.758) 3.506 4.290 ( 2.773 1.230 -1.758) 3.506 4.308 ( 0.160 -0.438 -1.931) 1.987 4.308 ( 0.160 0.438 -1.931) 1.987 4.364 ( -2.209 -0.984 -0.430) 2.456 4.364 ( -2.209 0.984 -0.430) 2.456 4.394 ( -3.871 -0.994 -0.606) 4.043 4.394 ( -3.871 0.994 -0.606) 4.043 4.545 ( 1.329 -0.797 -1.832) 2.400 4.545 ( 1.329 0.797 -1.832) 2.400 4.577 ( -1.666 -0.657 -2.155) 2.802 4.577 ( -1.666 0.657 -2.155) 2.802 4.630 ( 2.874 -3.277 1.236) 4.530 4.630 ( 2.874 3.277 1.236) 4.530 4.695 ( -2.445 -0.872 -1.319) 2.911 4.695 ( -2.445 0.872 -1.319) 2.911 4.732 ( 0.207 -0.631 -2.479) 2.567 4.732 ( 0.207 0.631 -2.479) 2.567 4.752 ( -1.570 -1.679 -1.752) 2.890 4.752 ( -1.570 1.679 -1.752) 2.890 4.800 ( 2.481 -1.104 -0.087) 2.717 4.800 ( 2.481 1.104 -0.087) 2.717 4.852 ( -0.892 -2.524 0.012) 2.677 4.852 ( -0.892 2.524 0.012) 2.677 4.874 ( 1.264 -1.087 -1.932) 2.552 4.874 ( 1.264 1.087 -1.932) 2.552 4.909 ( -1.216 -0.733 -0.822) 1.640 4.909 ( -1.216 0.733 -0.822) 1.640 4.963 ( 1.117 -3.590 1.293) 3.976 4.963 ( 1.117 3.590 1.293) 3.976 5.001 ( -0.142 -0.612 0.253) 0.677 5.001 ( -0.142 0.612 0.253) 0.677 5.036 ( -1.906 -1.558 -0.793) 2.586 5.036 ( -1.906 1.558 -0.793) 2.586 5.045 ( -1.097 -0.892 -0.209) 1.429 5.045 ( -1.097 0.892 -0.209) 1.429 5.237 ( 1.626 -0.748 2.237) 2.865 5.237 ( 1.626 0.748 2.237) 2.865 5.260 ( -0.383 -1.315 2.196) 2.589 5.260 ( -0.383 1.315 2.196) 2.589 5.389 ( 2.990 -2.081 0.060) 3.643 5.389 ( 2.990 2.081 0.060) 3.643 5.448 ( -2.024 -2.131 -1.398) 3.255 5.448 ( -2.024 2.131 -1.398) 3.255 5.562 ( 2.481 -0.113 4.476) 5.119 5.562 ( 2.481 0.113 4.476) 5.119 5.596 ( -0.387 -1.179 3.743) 3.943 5.596 ( -0.387 1.179 3.743) 3.943 5.621 ( 3.172 -0.946 3.865) 5.089 5.621 ( 3.172 0.946 3.865) 5.089 5.665 ( -0.688 -0.251 1.128) 1.345 5.665 ( -0.688 0.251 1.128) 1.345 5.760 ( 1.628 -1.620 3.251) 3.980 5.760 ( 1.628 1.620 3.251) 3.980 5.803 ( -1.353 -1.442 0.664) 2.086 5.803 ( -1.353 1.442 0.664) 2.086 5.898 ( 0.477 -0.996 -3.288) 3.469 5.898 ( 0.477 0.996 -3.288) 3.469 5.913 ( -0.790 -0.841 -2.589) 2.834 5.913 ( -0.790 0.841 -2.589) 2.834 6.122 ( 2.572 -5.166 2.010) 6.111 6.122 ( 2.572 5.166 2.010) 6.111 6.160 ( -0.850 -4.212 2.200) 4.828 6.160 ( -0.850 4.212 2.200) 4.828 6.239 ( 5.102 -7.443 -2.243) 9.299 6.239 ( 5.102 7.443 -2.243) 9.299 6.334 ( -2.643 -7.674 -4.390) 9.228 6.334 ( -2.643 7.674 -4.390) 9.228 6.630 ( 4.209 -2.881 5.584) 7.563 6.630 ( 4.209 2.881 5.584) 7.563 6.699 ( -1.951 -3.407 3.634) 5.350 6.699 ( -1.951 3.407 3.634) 5.350 6.806 ( 4.804 -3.999 -1.304) 6.385 6.806 ( 4.804 3.999 -1.304) 6.385 6.864 ( 0.052 -1.865 -1.139) 2.186 6.864 ( 0.052 1.865 -1.139) 2.186 6.963 ( 5.380 -3.364 1.729) 6.576 6.963 ( 5.380 3.364 1.729) 6.576 7.039 ( 0.724 -1.414 -0.075) 1.590 7.039 ( 0.724 1.414 -0.075) 1.590 7.051 ( 3.466 -4.335 0.002) 5.550 7.051 ( 3.466 4.335 0.002) 5.550 7.169 ( -1.770 -3.282 -1.372) 3.973 7.169 ( -1.770 3.282 -1.372) 3.973 7.318 ( 1.320 -3.616 5.829) 6.985 7.318 ( 1.320 3.616 5.829) 6.985 7.381 ( -6.919 -6.366 3.388) 9.994 7.381 ( -6.919 6.366 3.388) 9.994 7.497 ( 2.712 -4.857 -0.229) 5.568 7.497 ( 2.712 4.857 -0.229) 5.568 7.598 ( -5.024 -6.358 -3.196) 8.711 7.598 ( -5.024 6.358 -3.196) 8.711 7.758 ( 5.156 -3.768 1.315) 6.520 7.758 ( 5.156 3.768 1.315) 6.520 7.891 ( 0.095 -1.509 -2.875) 3.248 7.891 ( 0.095 1.509 -2.875) 3.248 7.966 ( -10.402 -2.778 -1.847) 10.923 7.966 ( -10.402 2.778 -1.847) 10.923 8.024 ( -13.412 -3.440 -4.424) 14.535 8.024 ( -13.412 3.440 -4.424) 14.535 11.670 ( 2.983 -0.599 2.752) 4.103 11.670 ( 2.983 0.599 2.752) 4.103 11.735 ( -2.946 -0.140 2.454) 3.836 11.735 ( -2.946 0.140 2.454) 3.836 11.794 ( 3.653 -1.194 -1.484) 4.120 11.794 ( 3.653 1.194 -1.484) 4.120 11.882 ( -4.626 -3.313 -2.816) 6.349 11.882 ( -4.626 3.313 -2.816) 6.349 12.339 ( 4.463 -2.883 3.149) 6.176 12.339 ( 4.463 2.883 3.149) 6.176 12.427 ( -3.026 -1.775 1.350) 3.759 12.427 ( -3.026 1.775 1.350) 3.759 12.490 ( 5.237 -1.269 -1.050) 5.490 12.490 ( 5.237 1.269 -1.050) 5.490 12.540 ( 0.251 -3.512 -3.033) 4.647 12.540 ( 0.251 3.512 -3.033) 4.647 12.641 ( -0.621 -1.751 1.993) 2.725 12.641 ( -0.621 1.751 1.993) 2.725 12.759 ( -6.423 -0.874 -2.285) 6.873 12.759 ( -6.423 0.874 -2.285) 6.873 12.823 ( -0.812 -0.363 0.625) 1.087 12.823 ( -0.812 0.363 0.625) 1.087 12.946 ( -9.507 -2.746 -3.502) 10.497 12.946 ( -9.507 2.746 -3.502) 10.497 14.166 ( 0.571 -1.546 0.849) 1.854 14.166 ( 0.571 1.546 0.849) 1.854 14.180 ( -0.657 -1.176 0.493) 1.435 14.180 ( -0.657 1.176 0.493) 1.435 14.337 ( 1.044 -0.756 -0.258) 1.315 14.337 ( 1.044 0.756 -0.258) 1.315 14.352 ( -0.275 -1.879 -0.698) 2.023 14.352 ( -0.275 1.879 -0.698) 2.023 ======================= Grid point 42 (17/24) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 16 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 0.000 0.000 -15.047) 15.047 0.709 ( 0.000 0.000 15.047) 15.047 0.717 ( 0.000 0.000 -14.759) 14.759 0.717 ( 0.000 0.000 14.759) 14.759 1.001 ( 0.000 0.000 -3.603) 3.603 1.001 ( 0.000 0.000 3.603) 3.603 1.114 ( 0.000 0.000 -1.263) 1.263 1.114 ( 0.000 0.000 1.263) 1.263 1.204 ( 0.000 0.000 -9.045) 9.045 1.204 ( 0.000 0.000 9.045) 9.045 1.298 ( 0.000 0.000 -0.020) 0.020 1.298 ( 0.000 0.000 0.020) 0.020 1.345 ( 0.000 0.000 -2.701) 2.701 1.345 ( 0.000 0.000 2.701) 2.701 1.364 ( 0.000 0.000 -18.540) 18.540 1.364 ( 0.000 0.000 18.540) 18.540 1.391 ( 0.000 0.000 -1.817) 1.817 1.391 ( 0.000 0.000 1.817) 1.817 1.546 ( 0.000 0.000 -1.326) 1.326 1.546 ( 0.000 0.000 1.326) 1.326 1.637 ( 0.000 0.000 -0.224) 0.224 1.637 ( 0.000 0.000 0.224) 0.224 1.673 ( 0.000 0.000 -0.499) 0.499 1.673 ( 0.000 0.000 0.499) 0.499 1.676 ( 0.000 0.000 -4.596) 4.596 1.676 ( 0.000 0.000 4.596) 4.596 1.722 ( 0.000 0.000 -3.832) 3.832 1.722 ( 0.000 0.000 3.832) 3.832 1.751 ( 0.000 0.000 -2.976) 2.976 1.751 ( 0.000 0.000 2.976) 2.976 1.758 ( 0.000 0.000 -0.957) 0.957 1.758 ( 0.000 0.000 0.957) 0.957 1.801 ( 0.000 0.000 -2.724) 2.724 1.801 ( 0.000 0.000 2.724) 2.724 1.805 ( 0.000 0.000 -2.780) 2.780 1.805 ( 0.000 0.000 2.780) 2.780 1.916 ( 0.000 0.000 -1.750) 1.750 1.916 ( 0.000 0.000 1.750) 1.750 1.924 ( 0.000 0.000 -1.627) 1.627 1.924 ( 0.000 0.000 1.627) 1.627 1.972 ( 0.000 0.000 -0.568) 0.568 1.972 ( 0.000 0.000 0.568) 0.568 2.062 ( 0.000 0.000 -0.310) 0.310 2.062 ( 0.000 0.000 0.310) 0.310 2.136 ( 0.000 0.000 -2.858) 2.858 2.136 ( 0.000 0.000 2.858) 2.858 2.173 ( 0.000 0.000 -0.271) 0.271 2.173 ( 0.000 0.000 0.271) 0.271 2.189 ( 0.000 0.000 -3.803) 3.803 2.189 ( 0.000 0.000 3.803) 3.803 2.237 ( 0.000 0.000 -0.038) 0.038 2.237 ( 0.000 0.000 0.038) 0.038 2.393 ( 0.000 0.000 -4.448) 4.448 2.393 ( 0.000 0.000 4.448) 4.448 2.490 ( 0.000 0.000 -2.242) 2.242 2.490 ( 0.000 0.000 2.242) 2.242 2.505 ( 0.000 0.000 -5.412) 5.412 2.505 ( 0.000 0.000 5.412) 5.412 2.566 ( 0.000 0.000 -3.320) 3.320 2.566 ( 0.000 0.000 3.320) 3.320 2.635 ( 0.000 0.000 -0.385) 0.385 2.635 ( 0.000 0.000 0.385) 0.385 2.668 ( 0.000 0.000 -9.261) 9.261 2.668 ( 0.000 0.000 9.261) 9.261 2.731 ( 0.000 0.000 -5.934) 5.934 2.731 ( 0.000 0.000 5.934) 5.934 2.843 ( 0.000 0.000 -5.063) 5.063 2.843 ( 0.000 0.000 5.063) 5.063 2.947 ( 0.000 0.000 -1.926) 1.926 2.947 ( 0.000 0.000 1.926) 1.926 2.993 ( 0.000 0.000 -7.890) 7.890 2.993 ( 0.000 0.000 7.890) 7.890 3.005 ( 0.000 0.000 -4.706) 4.706 3.005 ( 0.000 0.000 4.706) 4.706 3.037 ( 0.000 0.000 -4.717) 4.717 3.037 ( 0.000 0.000 4.717) 4.717 3.045 ( 0.000 0.000 -0.658) 0.658 3.045 ( 0.000 0.000 0.658) 0.658 3.118 ( 0.000 0.000 -1.950) 1.950 3.118 ( 0.000 0.000 1.950) 1.950 3.272 ( 0.000 0.000 -4.093) 4.093 3.272 ( 0.000 0.000 4.093) 4.093 3.399 ( 0.000 0.000 -7.350) 7.350 3.399 ( 0.000 0.000 7.350) 7.350 3.419 ( 0.000 0.000 -5.947) 5.947 3.419 ( 0.000 0.000 5.947) 5.947 3.489 ( 0.000 0.000 -1.134) 1.134 3.489 ( 0.000 0.000 1.134) 1.134 3.621 ( 0.000 0.000 -5.738) 5.738 3.621 ( 0.000 0.000 5.738) 5.738 3.644 ( 0.000 0.000 -2.773) 2.773 3.644 ( 0.000 0.000 2.773) 2.773 3.697 ( 0.000 0.000 -6.591) 6.591 3.697 ( 0.000 0.000 6.591) 6.591 3.787 ( 0.000 0.000 -3.440) 3.440 3.787 ( 0.000 0.000 3.440) 3.440 3.980 ( 0.000 0.000 -3.578) 3.578 3.980 ( 0.000 0.000 3.578) 3.578 3.983 ( 0.000 0.000 -1.627) 1.627 3.983 ( 0.000 0.000 1.627) 1.627 4.156 ( 0.000 0.000 -2.294) 2.294 4.156 ( 0.000 0.000 2.294) 2.294 4.167 ( 0.000 0.000 -3.938) 3.938 4.167 ( 0.000 0.000 3.938) 3.938 4.243 ( 0.000 0.000 -2.078) 2.078 4.243 ( 0.000 0.000 2.078) 2.078 4.308 ( 0.000 0.000 -0.129) 0.129 4.308 ( 0.000 0.000 0.129) 0.129 4.310 ( 0.000 0.000 -4.457) 4.457 4.310 ( 0.000 0.000 4.457) 4.457 4.357 ( 0.000 0.000 -2.907) 2.907 4.357 ( 0.000 0.000 2.907) 2.907 4.433 ( 0.000 0.000 -1.820) 1.820 4.433 ( 0.000 0.000 1.820) 1.820 4.480 ( 0.000 0.000 -0.346) 0.346 4.480 ( 0.000 0.000 0.346) 0.346 4.557 ( 0.000 0.000 -3.608) 3.608 4.557 ( 0.000 0.000 3.608) 3.608 4.597 ( 0.000 0.000 -3.669) 3.669 4.597 ( 0.000 0.000 3.669) 3.669 4.634 ( 0.000 0.000 -4.410) 4.410 4.634 ( 0.000 0.000 4.410) 4.410 4.661 ( 0.000 0.000 -1.785) 1.785 4.661 ( 0.000 0.000 1.785) 1.785 4.680 ( 0.000 0.000 -1.302) 1.302 4.680 ( 0.000 0.000 1.302) 1.302 4.706 ( 0.000 0.000 -0.692) 0.692 4.706 ( 0.000 0.000 0.692) 0.692 4.864 ( 0.000 0.000 -3.141) 3.141 4.864 ( 0.000 0.000 3.141) 3.141 4.867 ( 0.000 0.000 -0.027) 0.027 4.867 ( 0.000 0.000 0.027) 0.027 4.897 ( 0.000 0.000 -1.031) 1.031 4.897 ( 0.000 0.000 1.031) 1.031 4.903 ( 0.000 0.000 -2.268) 2.268 4.903 ( 0.000 0.000 2.268) 2.268 4.974 ( 0.000 0.000 -0.006) 0.006 4.974 ( 0.000 0.000 0.006) 0.006 5.002 ( 0.000 0.000 -0.891) 0.891 5.002 ( 0.000 0.000 0.891) 0.891 5.042 ( 0.000 0.000 -1.203) 1.203 5.042 ( 0.000 0.000 1.203) 1.203 5.046 ( 0.000 0.000 -1.121) 1.121 5.046 ( 0.000 0.000 1.121) 1.121 5.153 ( 0.000 0.000 -1.681) 1.681 5.153 ( 0.000 0.000 1.681) 1.681 5.178 ( 0.000 0.000 -0.478) 0.478 5.178 ( 0.000 0.000 0.478) 0.478 5.260 ( 0.000 0.000 -0.182) 0.182 5.260 ( 0.000 0.000 0.182) 0.182 5.348 ( 0.000 0.000 -2.555) 2.555 5.348 ( 0.000 0.000 2.555) 2.555 5.427 ( 0.000 0.000 -2.366) 2.366 5.427 ( 0.000 0.000 2.366) 2.366 5.496 ( 0.000 0.000 -3.037) 3.037 5.496 ( 0.000 0.000 3.037) 3.037 5.595 ( 0.000 0.000 -4.104) 4.104 5.595 ( 0.000 0.000 4.104) 4.104 5.640 ( 0.000 0.000 -1.295) 1.295 5.640 ( 0.000 0.000 1.295) 1.295 5.725 ( 0.000 0.000 -2.515) 2.515 5.725 ( 0.000 0.000 2.515) 2.515 5.769 ( 0.000 0.000 -2.181) 2.181 5.769 ( 0.000 0.000 2.181) 2.181 5.843 ( 0.000 0.000 -1.360) 1.360 5.843 ( 0.000 0.000 1.360) 1.360 5.870 ( 0.000 0.000 -2.446) 2.446 5.870 ( 0.000 0.000 2.446) 2.446 6.000 ( 0.000 0.000 -2.156) 2.156 6.000 ( 0.000 0.000 2.156) 2.156 6.122 ( 0.000 0.000 -4.911) 4.911 6.122 ( 0.000 0.000 4.911) 4.911 6.151 ( 0.000 0.000 -3.381) 3.381 6.151 ( 0.000 0.000 3.381) 3.381 6.206 ( 0.000 0.000 -0.648) 0.648 6.206 ( 0.000 0.000 0.648) 0.648 6.556 ( 0.000 0.000 -2.352) 2.352 6.556 ( 0.000 0.000 2.352) 2.352 6.563 ( 0.000 0.000 -1.353) 1.353 6.563 ( 0.000 0.000 1.353) 1.353 6.607 ( 0.000 0.000 -2.411) 2.411 6.607 ( 0.000 0.000 2.411) 2.411 6.758 ( 0.000 0.000 -5.847) 5.847 6.758 ( 0.000 0.000 5.847) 5.847 6.882 ( 0.000 0.000 -1.342) 1.342 6.882 ( 0.000 0.000 1.342) 1.342 6.945 ( 0.000 0.000 -1.939) 1.939 6.945 ( 0.000 0.000 1.939) 1.939 6.991 ( 0.000 0.000 -0.356) 0.356 6.991 ( 0.000 0.000 0.356) 0.356 7.009 ( 0.000 0.000 -0.254) 0.254 7.009 ( 0.000 0.000 0.254) 0.254 7.306 ( 0.000 0.000 -3.896) 3.896 7.306 ( 0.000 0.000 3.896) 3.896 7.352 ( 0.000 0.000 -3.584) 3.584 7.352 ( 0.000 0.000 3.584) 3.584 7.621 ( 0.000 0.000 -3.401) 3.401 7.621 ( 0.000 0.000 3.401) 3.401 7.785 ( 0.000 0.000 -3.327) 3.327 7.785 ( 0.000 0.000 3.327) 3.327 8.097 ( 0.000 0.000 -3.562) 3.562 8.097 ( 0.000 0.000 3.562) 3.562 8.159 ( 0.000 0.000 -0.275) 0.275 8.159 ( 0.000 0.000 0.275) 0.275 8.454 ( 0.000 0.000 -2.900) 2.900 8.454 ( 0.000 0.000 2.900) 2.900 8.550 ( 0.000 0.000 -4.378) 4.378 8.550 ( 0.000 0.000 4.378) 4.378 11.593 ( 0.000 0.000 -0.373) 0.373 11.593 ( 0.000 0.000 0.373) 0.373 11.706 ( 0.000 0.000 -0.639) 0.639 11.706 ( 0.000 0.000 0.639) 0.639 11.859 ( 0.000 0.000 -2.687) 2.687 11.859 ( 0.000 0.000 2.687) 2.687 11.953 ( 0.000 0.000 -4.965) 4.965 11.953 ( 0.000 0.000 4.965) 4.965 12.344 ( 0.000 0.000 -5.765) 5.765 12.344 ( 0.000 0.000 5.765) 5.765 12.412 ( 0.000 0.000 -4.509) 4.509 12.412 ( 0.000 0.000 4.509) 4.509 12.619 ( 0.000 0.000 -4.518) 4.518 12.619 ( 0.000 0.000 4.518) 4.518 12.635 ( 0.000 0.000 -2.546) 2.546 12.635 ( 0.000 0.000 2.546) 2.546 12.707 ( 0.000 0.000 -1.683) 1.683 12.707 ( 0.000 0.000 1.683) 1.683 12.743 ( 0.000 0.000 -1.405) 1.405 12.743 ( 0.000 0.000 1.405) 1.405 13.460 ( 0.000 0.000 -2.627) 2.627 13.460 ( 0.000 0.000 2.627) 2.627 13.504 ( 0.000 0.000 -1.026) 1.026 13.504 ( 0.000 0.000 1.026) 1.026 14.128 ( 0.000 0.000 -1.382) 1.382 14.128 ( 0.000 0.000 1.382) 1.382 14.138 ( 0.000 0.000 -0.074) 0.074 14.138 ( 0.000 0.000 0.074) 0.074 14.273 ( 0.000 0.000 -0.869) 0.869 14.273 ( 0.000 0.000 0.869) 0.869 14.295 ( 0.000 0.000 -1.844) 1.844 14.295 ( 0.000 0.000 1.844) 1.844 ======================= Grid point 44 (18/24) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 22 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 2.080 0.000 -2.978) 3.633 0.707 ( 2.080 0.000 2.978) 3.633 0.805 ( 5.300 0.000 -0.131) 5.302 0.805 ( 5.300 0.000 0.131) 5.302 0.947 ( -3.846 0.000 -4.709) 6.080 0.947 ( -3.846 0.000 4.709) 6.080 1.122 ( -0.570 0.000 -6.320) 6.345 1.122 ( -0.570 0.000 6.320) 6.345 1.172 ( -0.295 0.000 -3.292) 3.306 1.172 ( -0.295 0.000 3.292) 3.306 1.259 ( -3.488 0.000 -7.766) 8.513 1.259 ( -3.488 0.000 7.766) 8.513 1.332 ( 0.445 0.000 -1.278) 1.353 1.332 ( 0.445 0.000 1.278) 1.353 1.395 ( -0.712 0.000 -0.145) 0.726 1.395 ( -0.712 0.000 0.145) 0.726 1.423 ( 3.375 0.000 -8.722) 9.352 1.423 ( 3.375 0.000 8.722) 9.352 1.552 ( -1.723 0.000 -0.899) 1.944 1.552 ( -1.723 0.000 0.899) 1.944 1.579 ( -3.524 0.000 -0.569) 3.570 1.579 ( -3.524 0.000 0.569) 3.570 1.680 ( -3.588 0.000 -4.282) 5.587 1.680 ( -3.588 0.000 4.282) 5.587 1.697 ( 0.063 0.000 -0.014) 0.065 1.697 ( 0.063 0.000 0.014) 0.065 1.719 ( 2.452 0.000 -1.989) 3.157 1.719 ( 2.452 0.000 1.989) 3.157 1.730 ( -1.977 0.000 -0.296) 1.999 1.730 ( -1.977 0.000 0.296) 1.999 1.776 ( 2.519 0.000 -0.357) 2.544 1.776 ( 2.519 0.000 0.357) 2.544 1.793 ( 0.519 0.000 -4.782) 4.810 1.793 ( 0.519 0.000 4.782) 4.810 1.826 ( 2.171 0.000 -2.600) 3.388 1.826 ( 2.171 0.000 2.600) 3.388 1.899 ( -2.140 0.000 -1.331) 2.520 1.899 ( -2.140 0.000 1.331) 2.520 1.924 ( 0.906 0.000 -0.637) 1.107 1.924 ( 0.906 0.000 0.637) 1.107 1.962 ( 0.137 0.000 -2.506) 2.510 1.962 ( 0.137 0.000 2.506) 2.510 2.049 ( -0.551 0.000 -1.060) 1.194 2.049 ( -0.551 0.000 1.060) 1.194 2.090 ( -3.605 0.000 -0.567) 3.650 2.090 ( -3.605 0.000 0.567) 3.650 2.165 ( 0.826 0.000 -0.508) 0.970 2.165 ( 0.826 0.000 0.508) 0.970 2.220 ( -0.605 0.000 -1.480) 1.599 2.220 ( -0.605 0.000 1.480) 1.599 2.257 ( 1.164 0.000 -1.082) 1.589 2.257 ( 1.164 0.000 1.082) 1.589 2.401 ( 0.497 0.000 -4.304) 4.332 2.401 ( 0.497 0.000 4.304) 4.332 2.458 ( -3.903 0.000 -1.723) 4.266 2.458 ( -3.903 0.000 1.723) 4.266 2.503 ( -1.302 0.000 -1.819) 2.237 2.503 ( -1.302 0.000 1.819) 2.237 2.539 ( -0.366 0.000 -1.096) 1.155 2.539 ( -0.366 0.000 1.096) 1.155 2.608 ( -1.922 0.000 -2.568) 3.208 2.608 ( -1.922 0.000 2.568) 3.208 2.626 ( -2.844 0.000 -7.306) 7.840 2.626 ( -2.844 0.000 7.306) 7.840 2.718 ( -1.378 0.000 -5.061) 5.246 2.718 ( -1.378 0.000 5.061) 5.246 2.900 ( 3.212 0.000 -0.985) 3.360 2.900 ( 3.212 0.000 0.985) 3.360 2.906 ( -2.522 0.000 -3.240) 4.106 2.906 ( -2.522 0.000 3.240) 4.106 2.967 ( -1.716 0.000 -1.491) 2.273 2.967 ( -1.716 0.000 1.491) 2.273 2.989 ( 1.162 0.000 -2.208) 2.495 2.989 ( 1.162 0.000 2.208) 2.495 3.064 ( 2.806 0.000 -3.039) 4.137 3.064 ( 2.806 0.000 3.039) 4.137 3.101 ( 3.848 0.000 -0.364) 3.865 3.101 ( 3.848 0.000 0.364) 3.865 3.164 ( 2.258 0.000 -6.476) 6.858 3.164 ( 2.258 0.000 6.476) 6.858 3.315 ( 3.413 0.000 -4.287) 5.480 3.315 ( 3.413 0.000 4.287) 5.480 3.396 ( 0.087 0.000 -3.772) 3.773 3.396 ( 0.087 0.000 3.772) 3.773 3.435 ( 1.202 0.000 -5.626) 5.753 3.435 ( 1.202 0.000 5.626) 5.753 3.513 ( -0.641 0.000 -3.065) 3.131 3.513 ( -0.641 0.000 3.065) 3.131 3.586 ( -0.642 0.000 -0.866) 1.078 3.586 ( -0.642 0.000 0.866) 1.078 3.603 ( -0.978 0.000 -1.770) 2.022 3.603 ( -0.978 0.000 1.770) 2.022 3.700 ( 0.015 0.000 -3.999) 3.999 3.700 ( 0.015 0.000 3.999) 3.999 3.814 ( 1.689 0.000 -1.778) 2.453 3.814 ( 1.689 0.000 1.778) 2.453 3.946 ( -2.053 0.000 -2.891) 3.546 3.946 ( -2.053 0.000 2.891) 3.546 4.007 ( 0.236 0.000 -4.883) 4.888 4.007 ( 0.236 0.000 4.883) 4.888 4.132 ( -1.500 0.000 -1.741) 2.298 4.132 ( -1.500 0.000 1.741) 2.298 4.146 ( -2.701 0.000 -1.738) 3.212 4.146 ( -2.701 0.000 1.738) 3.212 4.208 ( -2.090 0.000 -0.615) 2.179 4.208 ( -2.090 0.000 0.615) 2.179 4.296 ( -1.069 0.000 -1.879) 2.162 4.296 ( -1.069 0.000 1.879) 2.162 4.298 ( -1.715 0.000 -0.458) 1.775 4.298 ( -1.715 0.000 0.458) 1.775 4.336 ( -1.529 0.000 -2.404) 2.849 4.336 ( -1.529 0.000 2.404) 2.849 4.411 ( -1.501 0.000 -0.116) 1.505 4.411 ( -1.501 0.000 0.116) 1.505 4.470 ( -0.876 0.000 -0.128) 0.885 4.470 ( -0.876 0.000 0.128) 0.885 4.578 ( -0.308 0.000 -2.607) 2.625 4.578 ( -0.308 0.000 2.607) 2.625 4.584 ( -2.365 0.000 -3.745) 4.429 4.584 ( -2.365 0.000 3.745) 4.429 4.621 ( 2.998 0.000 -1.222) 3.237 4.621 ( 2.998 0.000 1.222) 3.237 4.657 ( -1.481 0.000 -1.168) 1.886 4.657 ( -1.481 0.000 1.168) 1.886 4.687 ( 0.593 0.000 -0.781) 0.980 4.687 ( 0.593 0.000 0.781) 0.980 4.734 ( 2.153 0.000 -2.196) 3.076 4.734 ( 2.153 0.000 2.196) 3.076 4.841 ( -1.519 0.000 -2.003) 2.514 4.841 ( -1.519 0.000 2.003) 2.514 4.844 ( -1.707 0.000 -0.238) 1.724 4.844 ( -1.707 0.000 0.238) 1.724 4.863 ( -1.211 0.000 -2.949) 3.188 4.863 ( -1.211 0.000 2.949) 3.188 4.914 ( -0.621 0.000 -2.004) 2.098 4.914 ( -0.621 0.000 2.004) 2.098 4.966 ( -0.301 0.000 -0.893) 0.942 4.966 ( -0.301 0.000 0.893) 0.942 5.025 ( -0.820 0.000 -1.180) 1.437 5.025 ( -0.820 0.000 1.180) 1.437 5.059 ( 0.508 0.000 -0.002) 0.508 5.059 ( 0.508 0.000 0.002) 0.508 5.081 ( 3.460 0.000 -0.254) 3.469 5.081 ( 3.460 0.000 0.254) 3.469 5.135 ( 2.603 0.000 -0.190) 2.610 5.135 ( 2.603 0.000 0.190) 2.610 5.254 ( -0.451 0.000 -0.078) 0.458 5.254 ( -0.451 0.000 0.078) 0.458 5.277 ( 5.504 0.000 -0.001) 5.504 5.277 ( 5.504 0.000 0.001) 5.504 5.369 ( 1.702 0.000 -2.481) 3.009 5.369 ( 1.702 0.000 2.481) 3.009 5.473 ( 4.099 0.000 -1.498) 4.365 5.473 ( 4.099 0.000 1.498) 4.365 5.544 ( 3.898 0.000 -3.359) 5.145 5.544 ( 3.898 0.000 3.359) 5.145 5.596 ( 0.159 0.000 -2.346) 2.352 5.596 ( 0.159 0.000 2.346) 2.352 5.638 ( 0.174 0.000 -0.131) 0.217 5.638 ( 0.174 0.000 0.131) 0.217 5.728 ( 0.270 0.000 -3.764) 3.773 5.728 ( 0.270 0.000 3.764) 3.773 5.793 ( 2.076 0.000 -1.504) 2.564 5.793 ( 2.076 0.000 1.504) 2.564 5.825 ( -0.370 0.000 -2.095) 2.128 5.825 ( -0.370 0.000 2.095) 2.128 5.882 ( 0.137 0.000 -2.331) 2.335 5.882 ( 0.137 0.000 2.331) 2.335 6.055 ( 3.564 0.000 -2.187) 4.181 6.055 ( 3.564 0.000 2.187) 4.181 6.092 ( -1.418 0.000 -0.417) 1.478 6.092 ( -1.418 0.000 0.417) 1.478 6.163 ( 2.181 0.000 -1.222) 2.500 6.163 ( 2.181 0.000 1.222) 2.500 6.294 ( 5.690 0.000 -0.297) 5.698 6.294 ( 5.690 0.000 0.297) 5.698 6.505 ( -2.643 0.000 -4.088) 4.868 6.505 ( -2.643 0.000 4.088) 4.868 6.558 ( 0.485 0.000 -0.556) 0.737 6.558 ( 0.485 0.000 0.556) 0.737 6.620 ( 2.278 0.000 -3.700) 4.345 6.620 ( 2.278 0.000 3.700) 4.345 6.794 ( 2.745 0.000 -6.316) 6.887 6.794 ( 2.745 0.000 6.316) 6.887 6.927 ( 3.228 0.000 -3.059) 4.448 6.927 ( 3.228 0.000 3.059) 4.448 6.969 ( 0.797 0.000 -0.486) 0.934 6.969 ( 0.797 0.000 0.486) 0.934 7.003 ( 1.841 0.000 -3.292) 3.772 7.003 ( 1.841 0.000 3.292) 3.772 7.044 ( 2.904 0.000 -0.690) 2.985 7.044 ( 2.904 0.000 0.690) 2.985 7.324 ( 1.130 0.000 -5.770) 5.879 7.324 ( 1.130 0.000 5.770) 5.879 7.377 ( 1.825 0.000 -3.661) 4.091 7.377 ( 1.825 0.000 3.661) 4.091 7.606 ( -1.941 0.000 -3.396) 3.912 7.606 ( -1.941 0.000 3.396) 3.912 7.747 ( -3.557 0.000 -2.371) 4.275 7.747 ( -3.557 0.000 2.371) 4.275 8.018 ( -6.414 0.000 -1.650) 6.623 8.018 ( -6.414 0.000 1.650) 6.623 8.132 ( -3.739 0.000 -4.133) 5.574 8.132 ( -3.739 0.000 4.133) 5.574 8.404 ( -5.167 0.000 -0.007) 5.167 8.404 ( -5.167 0.000 0.007) 5.167 8.438 ( -10.164 0.000 -3.315) 10.691 8.438 ( -10.164 0.000 3.315) 10.691 11.609 ( 1.602 0.000 -0.987) 1.882 11.609 ( 1.602 0.000 0.987) 1.882 11.704 ( -0.087 0.000 -1.252) 1.255 11.704 ( -0.087 0.000 1.252) 1.255 11.858 ( -0.303 0.000 -2.596) 2.614 11.858 ( -0.303 0.000 2.596) 2.614 11.945 ( -0.934 0.000 -5.225) 5.308 11.945 ( -0.934 0.000 5.225) 5.308 12.343 ( -0.366 0.000 -4.744) 4.758 12.343 ( -0.366 0.000 4.744) 4.758 12.397 ( -1.718 0.000 -3.145) 3.584 12.397 ( -1.718 0.000 3.145) 3.584 12.484 ( -4.460 0.000 -3.014) 5.383 12.484 ( -4.460 0.000 3.014) 5.383 12.587 ( -4.285 0.000 -2.556) 4.989 12.587 ( -4.285 0.000 2.556) 4.989 12.752 ( -0.301 0.000 -1.109) 1.149 12.752 ( -0.301 0.000 1.109) 1.149 12.771 ( 1.782 0.000 -0.771) 1.942 12.771 ( 1.782 0.000 0.771) 1.942 13.351 ( -9.769 0.000 -3.921) 10.526 13.351 ( -9.769 0.000 3.921) 10.526 13.358 ( -12.607 0.000 -0.238) 12.609 13.358 ( -12.607 0.000 0.238) 12.609 14.143 ( 1.193 0.000 -1.600) 1.996 14.143 ( 1.193 0.000 1.600) 1.996 14.159 ( 1.430 0.000 -0.329) 1.467 14.159 ( 1.430 0.000 0.329) 1.467 14.291 ( 1.313 0.000 -0.429) 1.381 14.291 ( 1.313 0.000 0.429) 1.381 14.313 ( 1.589 0.000 -1.239) 2.015 14.313 ( 1.589 0.000 1.239) 2.015 ======================= Grid point 46 (19/24) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 22 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 3.708 0.000 -9.437) 10.140 0.779 ( 3.708 0.000 9.437) 10.140 0.872 ( 1.401 0.000 -0.225) 1.419 0.872 ( 1.401 0.000 0.225) 1.419 0.910 ( 0.710 0.000 -2.378) 2.482 0.910 ( 0.710 0.000 2.378) 2.482 1.109 ( -0.741 0.000 -0.463) 0.874 1.109 ( -0.741 0.000 0.463) 0.874 1.190 ( 0.842 0.000 -1.806) 1.992 1.190 ( 0.842 0.000 1.806) 1.992 1.199 ( -0.785 0.000 -8.131) 8.169 1.199 ( -0.785 0.000 8.131) 8.169 1.339 ( -2.453 0.000 -4.083) 4.764 1.339 ( -2.453 0.000 4.083) 4.764 1.364 ( -2.005 0.000 -1.217) 2.346 1.364 ( -2.005 0.000 1.217) 2.346 1.434 ( 1.237 0.000 -3.213) 3.443 1.434 ( 1.237 0.000 3.213) 3.443 1.477 ( -5.957 0.000 -0.260) 5.962 1.477 ( -5.957 0.000 0.260) 5.962 1.532 ( -0.710 0.000 -4.620) 4.674 1.532 ( -0.710 0.000 4.620) 4.674 1.573 ( -5.795 0.000 -4.939) 7.614 1.573 ( -5.795 0.000 4.939) 7.614 1.661 ( -3.140 0.000 -0.601) 3.197 1.661 ( -3.140 0.000 0.601) 3.197 1.702 ( 0.870 0.000 -2.383) 2.537 1.702 ( 0.870 0.000 2.383) 2.537 1.749 ( 0.400 0.000 -1.934) 1.975 1.749 ( 0.400 0.000 1.934) 1.975 1.823 ( 1.279 0.000 -3.478) 3.706 1.823 ( 1.279 0.000 3.478) 3.706 1.837 ( 1.092 0.000 -1.048) 1.514 1.837 ( 1.092 0.000 1.048) 1.514 1.860 ( -0.553 0.000 -3.025) 3.075 1.860 ( -0.553 0.000 3.025) 3.075 1.903 ( 2.504 0.000 -2.072) 3.250 1.903 ( 2.504 0.000 2.072) 3.250 1.931 ( 1.388 0.000 -3.155) 3.446 1.931 ( 1.388 0.000 3.155) 3.447 1.983 ( 0.215 0.000 -3.334) 3.340 1.983 ( 0.215 0.000 3.334) 3.340 2.022 ( -1.596 0.000 -2.448) 2.922 2.022 ( -1.596 0.000 2.448) 2.922 2.072 ( 2.126 0.000 -1.990) 2.912 2.072 ( 2.126 0.000 1.990) 2.912 2.149 ( -2.976 0.000 -2.782) 4.073 2.149 ( -2.976 0.000 2.782) 4.073 2.174 ( -2.071 0.000 -1.307) 2.449 2.174 ( -2.071 0.000 1.307) 2.449 2.257 ( -2.215 0.000 -0.173) 2.222 2.257 ( -2.215 0.000 0.173) 2.222 2.355 ( -2.677 0.000 -0.805) 2.795 2.355 ( -2.677 0.000 0.805) 2.795 2.414 ( 1.243 0.000 -3.779) 3.978 2.414 ( 1.243 0.000 3.779) 3.978 2.477 ( -1.682 0.000 -3.304) 3.708 2.477 ( -1.682 0.000 3.304) 3.708 2.545 ( 0.678 0.000 -2.003) 2.114 2.545 ( 0.678 0.000 2.003) 2.114 2.554 ( -2.397 0.000 -2.838) 3.715 2.554 ( -2.397 0.000 2.838) 3.715 2.608 ( 0.181 0.000 -2.217) 2.224 2.608 ( 0.181 0.000 2.217) 2.224 2.697 ( -0.066 0.000 -4.339) 4.340 2.697 ( -0.066 0.000 4.339) 4.340 2.857 ( -3.014 0.000 -0.498) 3.055 2.857 ( -3.014 0.000 0.498) 3.055 2.873 ( -2.819 0.000 -5.069) 5.800 2.873 ( -2.819 0.000 5.069) 5.800 2.987 ( -1.198 0.000 -1.713) 2.091 2.987 ( -1.198 0.000 1.713) 2.091 3.042 ( 3.610 0.000 -1.084) 3.769 3.042 ( 3.610 0.000 1.084) 3.769 3.111 ( 1.512 0.000 -2.638) 3.041 3.111 ( 1.512 0.000 2.638) 3.041 3.193 ( 4.400 0.000 -0.840) 4.479 3.193 ( 4.400 0.000 0.840) 4.479 3.221 ( 5.217 0.000 -2.293) 5.699 3.221 ( 5.217 0.000 2.293) 5.699 3.357 ( 1.032 0.000 -0.712) 1.254 3.357 ( 1.032 0.000 0.712) 1.254 3.429 ( -0.777 0.000 -1.072) 1.324 3.429 ( -0.777 0.000 1.072) 1.324 3.463 ( 4.095 0.000 -4.700) 6.233 3.463 ( 4.095 0.000 4.700) 6.233 3.483 ( 0.906 0.000 -0.811) 1.216 3.483 ( 0.906 0.000 0.811) 1.216 3.579 ( -0.517 0.000 -0.696) 0.867 3.579 ( -0.517 0.000 0.696) 0.867 3.684 ( 6.189 0.000 -1.855) 6.461 3.684 ( 6.189 0.000 1.855) 6.461 3.712 ( 1.892 0.000 -2.513) 3.145 3.712 ( 1.892 0.000 2.513) 3.145 3.834 ( 0.309 0.000 -0.164) 0.350 3.834 ( 0.309 0.000 0.164) 0.350 3.901 ( -2.587 0.000 -1.873) 3.194 3.901 ( -2.587 0.000 1.873) 3.194 3.962 ( -3.973 0.000 -4.515) 6.014 3.962 ( -3.973 0.000 4.515) 6.014 4.068 ( -3.474 0.000 -0.672) 3.538 4.068 ( -3.474 0.000 0.672) 3.538 4.108 ( -1.587 0.000 -1.948) 2.512 4.108 ( -1.587 0.000 1.948) 2.512 4.189 ( -1.084 0.000 -2.158) 2.415 4.189 ( -1.084 0.000 2.158) 2.415 4.217 ( -3.022 0.000 -4.183) 5.161 4.217 ( -3.022 0.000 4.183) 5.161 4.284 ( -0.827 0.000 -0.011) 0.827 4.284 ( -0.827 0.000 0.011) 0.827 4.301 ( -1.852 0.000 -2.301) 2.954 4.301 ( -1.852 0.000 2.301) 2.954 4.398 ( -0.834 0.000 -0.850) 1.190 4.398 ( -0.834 0.000 0.850) 1.190 4.447 ( -1.918 0.000 -0.380) 1.955 4.447 ( -1.918 0.000 0.380) 1.955 4.525 ( -0.758 0.000 -3.582) 3.662 4.525 ( -0.758 0.000 3.582) 3.662 4.568 ( -2.253 0.000 -3.496) 4.159 4.568 ( -2.253 0.000 3.496) 4.159 4.600 ( -0.965 0.000 -1.001) 1.390 4.600 ( -0.965 0.000 1.001) 1.390 4.674 ( -0.688 0.000 -0.530) 0.868 4.674 ( -0.688 0.000 0.530) 0.868 4.741 ( 4.669 0.000 -1.519) 4.910 4.741 ( 4.669 0.000 1.519) 4.910 4.762 ( -1.334 0.000 -0.447) 1.407 4.762 ( -1.334 0.000 0.447) 1.407 4.780 ( -2.281 0.000 -1.132) 2.546 4.780 ( -2.281 0.000 1.132) 2.546 4.831 ( 0.264 0.000 -2.782) 2.794 4.831 ( 0.264 0.000 2.782) 2.794 4.863 ( 0.941 0.000 -3.638) 3.758 4.863 ( 0.941 0.000 3.638) 3.758 4.891 ( -1.081 0.000 -0.284) 1.118 4.891 ( -1.081 0.000 0.284) 1.118 4.932 ( -2.485 0.000 -1.329) 2.818 4.932 ( -2.485 0.000 1.329) 2.818 4.995 ( -1.193 0.000 -1.033) 1.578 4.995 ( -1.193 0.000 1.033) 1.578 5.080 ( 0.935 0.000 -0.342) 0.995 5.080 ( 0.935 0.000 0.342) 0.995 5.159 ( 2.707 0.000 -0.078) 2.708 5.159 ( 2.707 0.000 0.078) 2.708 5.199 ( 2.829 0.000 -0.834) 2.950 5.199 ( 2.829 0.000 0.834) 2.950 5.249 ( 0.624 0.000 -0.818) 1.029 5.249 ( 0.624 0.000 0.818) 1.029 5.370 ( 2.910 0.000 -0.142) 2.914 5.370 ( 2.910 0.000 0.142) 2.914 5.401 ( 0.930 0.000 -2.958) 3.101 5.401 ( 0.930 0.000 2.958) 3.101 5.569 ( 4.394 0.000 -0.802) 4.467 5.569 ( 4.394 0.000 0.802) 4.467 5.586 ( 0.637 0.000 -1.580) 1.704 5.586 ( 0.637 0.000 1.580) 1.704 5.646 ( 3.273 0.000 -3.475) 4.774 5.646 ( 3.273 0.000 3.475) 4.774 5.659 ( 2.353 0.000 -2.828) 3.679 5.659 ( 2.353 0.000 2.828) 3.679 5.735 ( 0.374 0.000 -3.926) 3.944 5.735 ( 0.374 0.000 3.926) 3.944 5.811 ( -0.993 0.000 -2.297) 2.502 5.811 ( -0.993 0.000 2.297) 2.502 5.846 ( 2.482 0.000 -0.436) 2.520 5.846 ( 2.482 0.000 0.436) 2.520 5.879 ( -0.917 0.000 -4.130) 4.231 5.879 ( -0.917 0.000 4.130) 4.231 6.062 ( -0.273 0.000 -0.582) 0.643 6.062 ( -0.273 0.000 0.582) 0.643 6.129 ( 3.597 0.000 -1.486) 3.892 6.129 ( 3.597 0.000 1.486) 3.892 6.244 ( 3.926 0.000 -0.497) 3.958 6.244 ( 3.926 0.000 0.497) 3.958 6.347 ( -0.458 0.000 -2.497) 2.539 6.347 ( -0.458 0.000 2.497) 2.539 6.549 ( 6.899 0.000 -3.276) 7.637 6.549 ( 6.899 0.000 3.276) 7.637 6.613 ( 4.110 0.000 -0.081) 4.110 6.613 ( 4.110 0.000 0.081) 4.110 6.699 ( 4.842 0.000 -3.639) 6.057 6.699 ( 4.842 0.000 3.639) 6.057 6.836 ( 1.351 0.000 -4.298) 4.505 6.836 ( 1.351 0.000 4.298) 4.505 6.955 ( -0.432 0.000 -1.765) 1.817 6.955 ( -0.432 0.000 1.765) 1.817 7.027 ( 3.171 0.000 -5.715) 6.536 7.027 ( 3.171 0.000 5.715) 6.536 7.054 ( 4.570 0.000 -0.001) 4.570 7.054 ( 4.570 0.000 0.001) 4.570 7.115 ( 3.226 0.000 -0.311) 3.241 7.115 ( 3.226 0.000 0.311) 3.241 7.323 ( -2.045 0.000 -6.250) 6.577 7.323 ( -2.045 0.000 6.250) 6.577 7.426 ( 3.543 0.000 -3.425) 4.928 7.426 ( 3.543 0.000 3.425) 4.928 7.532 ( -4.589 0.000 -1.770) 4.918 7.532 ( -4.589 0.000 1.770) 4.918 7.652 ( -5.046 0.000 -0.675) 5.091 7.652 ( -5.046 0.000 0.675) 5.091 7.863 ( -7.633 0.000 -5.111) 9.186 7.863 ( -7.633 0.000 5.111) 9.186 7.998 ( -8.445 0.000 -1.369) 8.555 7.998 ( -8.445 0.000 1.369) 8.555 8.172 ( -13.805 0.000 -1.647) 13.903 8.172 ( -13.805 0.000 1.647) 13.903 8.234 ( -11.172 0.000 -3.787) 11.797 8.234 ( -11.172 0.000 3.787) 11.797 11.658 ( 3.012 0.000 -2.261) 3.766 11.658 ( 3.012 0.000 2.261) 3.766 11.708 ( 0.594 0.000 -2.161) 2.241 11.708 ( 0.594 0.000 2.161) 2.241 11.840 ( -1.498 0.000 -2.256) 2.708 11.840 ( -1.498 0.000 2.256) 2.708 11.907 ( -2.769 0.000 -5.510) 6.167 11.907 ( -2.769 0.000 5.510) 6.167 12.332 ( 0.505 0.000 -4.096) 4.128 12.332 ( 0.505 0.000 4.096) 4.128 12.380 ( 0.789 0.000 -0.637) 1.014 12.380 ( 0.789 0.000 0.637) 1.014 12.465 ( 1.106 0.000 -0.818) 1.376 12.465 ( 1.106 0.000 0.818) 1.376 12.538 ( -0.551 0.000 -3.800) 3.840 12.538 ( -0.551 0.000 3.800) 3.840 12.698 ( -3.654 0.000 -0.862) 3.754 12.698 ( -3.654 0.000 0.862) 3.754 12.780 ( -0.979 0.000 -0.607) 1.152 12.780 ( -0.979 0.000 0.607) 1.152 13.052 ( -14.897 0.000 -0.424) 14.903 13.052 ( -14.897 0.000 0.424) 14.903 13.114 ( -11.940 0.000 -2.483) 12.196 13.114 ( -11.940 0.000 2.483) 12.196 14.165 ( 0.804 0.000 -1.454) 1.661 14.165 ( 0.804 0.000 1.454) 1.662 14.181 ( 0.610 0.000 -0.745) 0.963 14.181 ( 0.610 0.000 0.745) 0.963 14.315 ( 0.945 0.000 -0.899) 1.304 14.315 ( 0.945 0.000 0.899) 1.304 14.343 ( 0.868 0.000 -1.578) 1.801 14.343 ( 0.868 0.000 1.578) 1.801 ======================= Grid point 48 (20/24) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 22 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 3.674 0.000 -5.006) 6.209 0.848 ( 3.674 0.000 5.006) 6.209 0.909 ( -0.399 0.000 -0.784) 0.880 0.909 ( -0.399 0.000 0.784) 0.880 0.943 ( 3.400 0.000 -5.814) 6.735 0.943 ( 3.400 0.000 5.814) 6.735 1.044 ( -5.204 0.000 -4.168) 6.668 1.044 ( -5.204 0.000 4.168) 6.668 1.181 ( 1.606 0.000 -4.713) 4.979 1.181 ( 1.606 0.000 4.713) 4.979 1.242 ( -0.023 0.000 -0.472) 0.472 1.242 ( -0.023 0.000 0.472) 0.473 1.308 ( -0.624 0.000 -7.343) 7.370 1.308 ( -0.624 0.000 7.343) 7.370 1.312 ( -1.427 0.000 -1.814) 2.308 1.312 ( -1.427 0.000 1.814) 2.308 1.359 ( -1.384 0.000 -0.804) 1.601 1.359 ( -1.384 0.000 0.804) 1.601 1.444 ( -6.313 0.000 -0.797) 6.364 1.444 ( -6.313 0.000 0.797) 6.364 1.493 ( 0.923 0.000 -1.677) 1.914 1.493 ( 0.923 0.000 1.677) 1.914 1.516 ( -0.409 0.000 -0.574) 0.705 1.516 ( -0.409 0.000 0.574) 0.705 1.637 ( 3.041 0.000 -0.914) 3.175 1.637 ( 3.041 0.000 0.914) 3.175 1.736 ( -0.457 0.000 -2.388) 2.432 1.736 ( -0.457 0.000 2.388) 2.432 1.753 ( -0.346 0.000 -2.111) 2.139 1.753 ( -0.346 0.000 2.111) 2.139 1.783 ( -2.657 0.000 -0.248) 2.668 1.783 ( -2.657 0.000 0.248) 2.668 1.838 ( 0.110 0.000 -0.152) 0.187 1.838 ( 0.110 0.000 0.152) 0.187 1.852 ( -1.457 0.000 -1.411) 2.029 1.852 ( -1.457 0.000 1.411) 2.029 1.921 ( 2.726 0.000 -1.198) 2.977 1.921 ( 2.726 0.000 1.198) 2.977 1.979 ( 0.766 0.000 -0.319) 0.829 1.979 ( 0.766 0.000 0.319) 0.829 1.983 ( -0.941 0.000 -1.387) 1.676 1.983 ( -0.941 0.000 1.387) 1.676 2.017 ( 0.145 0.000 -2.218) 2.223 2.017 ( 0.145 0.000 2.218) 2.223 2.050 ( -1.572 0.000 -3.691) 4.012 2.050 ( -1.572 0.000 3.691) 4.012 2.096 ( -2.762 0.000 -1.451) 3.120 2.096 ( -2.762 0.000 1.451) 3.120 2.177 ( 2.352 0.000 -0.758) 2.471 2.177 ( 2.352 0.000 0.758) 2.471 2.216 ( -1.194 0.000 -0.747) 1.409 2.216 ( -1.194 0.000 0.747) 1.409 2.364 ( 2.215 0.000 -2.767) 3.544 2.364 ( 2.215 0.000 2.767) 3.544 2.417 ( -2.534 0.000 -5.643) 6.186 2.417 ( -2.534 0.000 5.643) 6.186 2.470 ( 2.799 0.000 -1.616) 3.232 2.470 ( 2.799 0.000 1.616) 3.232 2.523 ( -1.468 0.000 -0.750) 1.649 2.523 ( -1.468 0.000 0.750) 1.649 2.572 ( 1.874 0.000 -2.113) 2.824 2.572 ( 1.874 0.000 2.113) 2.824 2.603 ( -0.652 0.000 -0.370) 0.750 2.603 ( -0.652 0.000 0.370) 0.750 2.700 ( 0.195 0.000 -1.816) 1.826 2.700 ( 0.195 0.000 1.816) 1.826 2.754 ( -5.118 0.000 -0.218) 5.123 2.754 ( -5.118 0.000 0.218) 5.123 2.864 ( 1.710 0.000 -5.659) 5.912 2.864 ( 1.710 0.000 5.659) 5.912 2.924 ( -3.442 0.000 -4.095) 5.350 2.924 ( -3.442 0.000 4.095) 5.350 3.105 ( 2.338 0.000 -1.996) 3.074 3.105 ( 2.338 0.000 1.996) 3.074 3.132 ( -0.095 0.000 -2.115) 2.117 3.132 ( -0.095 0.000 2.115) 2.117 3.287 ( 4.112 0.000 -0.228) 4.119 3.287 ( 4.112 0.000 0.228) 4.119 3.319 ( 1.989 0.000 -1.097) 2.272 3.319 ( 1.989 0.000 1.097) 2.272 3.396 ( 2.901 0.000 -0.458) 2.937 3.396 ( 2.901 0.000 0.458) 2.937 3.435 ( 0.216 0.000 -1.311) 1.328 3.435 ( 0.216 0.000 1.311) 1.328 3.458 ( -0.377 0.000 -1.151) 1.211 3.458 ( -0.377 0.000 1.151) 1.211 3.501 ( -2.427 0.000 -0.543) 2.487 3.501 ( -2.427 0.000 0.543) 2.487 3.644 ( 6.113 0.000 -3.107) 6.857 3.644 ( 6.113 0.000 3.107) 6.857 3.745 ( -0.312 0.000 -0.849) 0.905 3.745 ( -0.312 0.000 0.849) 0.905 3.796 ( 2.665 0.000 -0.767) 2.773 3.796 ( 2.665 0.000 0.767) 2.773 3.817 ( -2.457 0.000 -2.814) 3.736 3.817 ( -2.457 0.000 2.814) 3.736 3.880 ( 1.822 0.000 -0.710) 1.955 3.880 ( 1.822 0.000 0.710) 1.955 3.885 ( -1.907 0.000 -4.068) 4.493 3.885 ( -1.907 0.000 4.068) 4.493 4.005 ( -1.055 0.000 -2.818) 3.009 4.005 ( -1.055 0.000 2.818) 3.009 4.086 ( -5.972 0.000 -3.237) 6.793 4.086 ( -5.972 0.000 3.237) 6.793 4.125 ( 3.463 0.000 -2.074) 4.037 4.125 ( 3.463 0.000 2.074) 4.037 4.201 ( -2.161 0.000 -1.934) 2.900 4.201 ( -2.161 0.000 1.934) 2.900 4.282 ( 0.401 0.000 -0.763) 0.862 4.282 ( 0.401 0.000 0.763) 0.862 4.292 ( 1.064 0.000 -0.573) 1.209 4.292 ( 1.064 0.000 0.573) 1.209 4.344 ( -2.577 0.000 -1.057) 2.785 4.344 ( -2.577 0.000 1.057) 2.785 4.378 ( -3.848 0.000 -0.020) 3.848 4.378 ( -3.848 0.000 0.020) 3.848 4.535 ( 0.416 0.000 -1.642) 1.693 4.535 ( 0.416 0.000 1.642) 1.693 4.551 ( -0.339 0.000 -1.571) 1.607 4.551 ( -0.339 0.000 1.571) 1.607 4.595 ( 1.536 0.000 -1.562) 2.190 4.595 ( 1.536 0.000 1.562) 2.190 4.653 ( -3.205 0.000 -2.238) 3.910 4.653 ( -3.205 0.000 2.238) 3.910 4.701 ( 0.846 0.000 -0.406) 0.938 4.701 ( 0.846 0.000 0.406) 0.938 4.744 ( -2.075 0.000 -0.396) 2.112 4.744 ( -2.075 0.000 0.396) 2.112 4.832 ( 1.597 0.000 -1.384) 2.113 4.832 ( 1.597 0.000 1.384) 2.113 4.846 ( 1.472 0.000 -1.756) 2.291 4.846 ( 1.472 0.000 1.756) 2.291 4.856 ( -0.712 0.000 -0.462) 0.849 4.856 ( -0.712 0.000 0.462) 0.849 4.886 ( -1.715 0.000 -0.777) 1.883 4.886 ( -1.715 0.000 0.777) 1.883 4.919 ( 2.689 0.000 -1.484) 3.071 4.919 ( 2.689 0.000 1.484) 3.071 4.967 ( -1.724 0.000 -0.398) 1.770 4.967 ( -1.724 0.000 0.398) 1.770 5.101 ( 1.588 0.000 -0.586) 1.693 5.101 ( 1.588 0.000 0.586) 1.693 5.149 ( -2.509 0.000 -0.150) 2.513 5.149 ( -2.509 0.000 0.150) 2.513 5.263 ( 3.036 0.000 -0.327) 3.054 5.263 ( 3.036 0.000 0.327) 3.054 5.286 ( 1.270 0.000 -2.032) 2.396 5.286 ( 1.270 0.000 2.032) 2.396 5.394 ( -0.055 0.000 -0.834) 0.836 5.394 ( -0.055 0.000 0.834) 0.836 5.399 ( -0.739 0.000 -2.723) 2.821 5.399 ( -0.739 0.000 2.723) 2.821 5.610 ( 1.595 0.000 -1.029) 1.898 5.610 ( 1.595 0.000 1.029) 1.898 5.630 ( 0.709 0.000 -0.271) 0.759 5.630 ( 0.709 0.000 0.271) 0.759 5.689 ( 1.288 0.000 -2.782) 3.066 5.689 ( 1.288 0.000 2.782) 3.066 5.694 ( 0.492 0.000 -2.535) 2.582 5.694 ( 0.492 0.000 2.535) 2.582 5.766 ( 2.675 0.000 -3.548) 4.444 5.766 ( 2.675 0.000 3.548) 4.444 5.809 ( 0.337 0.000 -3.798) 3.813 5.809 ( 0.337 0.000 3.798) 3.813 5.837 ( -1.951 0.000 -1.290) 2.339 5.837 ( -1.951 0.000 1.290) 2.339 5.859 ( -1.448 0.000 -0.627) 1.578 5.859 ( -1.448 0.000 0.627) 1.578 6.100 ( 3.788 0.000 -3.287) 5.015 6.100 ( 3.788 0.000 3.287) 5.015 6.173 ( -1.584 0.000 -4.043) 4.342 6.173 ( -1.584 0.000 4.043) 4.342 6.294 ( 3.059 0.000 -1.911) 3.607 6.294 ( 3.059 0.000 1.911) 3.607 6.346 ( -0.694 0.000 -4.856) 4.905 6.346 ( -0.694 0.000 4.856) 4.905 6.684 ( 4.125 0.000 -0.505) 4.156 6.684 ( 4.125 0.000 0.505) 4.156 6.698 ( 2.686 0.000 -1.528) 3.090 6.698 ( 2.686 0.000 1.528) 3.090 6.797 ( 4.875 0.000 -4.118) 6.381 6.797 ( 4.875 0.000 4.118) 6.381 6.870 ( 0.306 0.000 -3.103) 3.118 6.870 ( 0.306 0.000 3.103) 3.118 6.939 ( 1.151 0.000 -2.767) 2.997 6.939 ( 1.151 0.000 2.767) 2.997 7.034 ( -3.743 0.000 -4.340) 5.731 7.034 ( -3.743 0.000 4.340) 5.731 7.130 ( 3.280 0.000 -0.283) 3.292 7.130 ( 3.280 0.000 0.283) 3.292 7.227 ( -0.686 0.000 -2.218) 2.322 7.227 ( -0.686 0.000 2.218) 2.322 7.249 ( 4.251 0.000 -1.467) 4.497 7.249 ( 4.251 0.000 1.467) 4.497 7.424 ( -6.856 0.000 -1.764) 7.080 7.424 ( -6.856 0.000 1.764) 7.080 7.520 ( 4.120 0.000 -5.692) 7.026 7.520 ( 4.120 0.000 5.692) 7.026 7.570 ( -2.201 0.000 -4.474) 4.987 7.570 ( -2.201 0.000 4.474) 4.987 7.775 ( 1.223 0.000 -5.017) 5.164 7.775 ( 1.223 0.000 5.017) 5.164 7.858 ( -2.107 0.000 -2.662) 3.395 7.858 ( -2.107 0.000 2.662) 3.395 7.913 ( -10.291 0.000 -1.640) 10.421 7.913 ( -10.291 0.000 1.640) 10.421 7.982 ( -11.460 0.000 -1.545) 11.564 7.982 ( -11.460 0.000 1.545) 11.564 11.725 ( 2.802 0.000 -3.328) 4.351 11.725 ( 2.802 0.000 3.328) 4.351 11.731 ( 1.408 0.000 -2.303) 2.700 11.731 ( 1.408 0.000 2.303) 2.700 11.804 ( -1.208 0.000 -2.454) 2.735 11.804 ( -1.208 0.000 2.454) 2.735 11.838 ( -3.524 0.000 -4.743) 5.909 11.838 ( -3.524 0.000 4.743) 5.909 12.376 ( 2.981 0.000 -4.029) 5.012 12.376 ( 2.981 0.000 4.029) 5.012 12.410 ( 0.682 0.000 -0.395) 0.789 12.410 ( 0.682 0.000 0.395) 0.789 12.501 ( 2.382 0.000 -1.629) 2.886 12.501 ( 2.382 0.000 1.629) 2.886 12.542 ( -0.141 0.000 -3.033) 3.036 12.542 ( -0.141 0.000 3.033) 3.036 12.640 ( -0.283 0.000 -1.312) 1.343 12.640 ( -0.283 0.000 1.312) 1.343 12.729 ( -5.868 0.000 -2.157) 6.252 12.729 ( -5.868 0.000 2.157) 6.252 12.827 ( -2.861 0.000 -0.530) 2.910 12.827 ( -2.861 0.000 0.530) 2.910 12.900 ( -7.827 0.000 -3.109) 8.421 12.900 ( -7.827 0.000 3.109) 8.421 14.178 ( 0.501 0.000 -1.410) 1.497 14.178 ( 0.501 0.000 1.411) 1.497 14.186 ( -0.149 0.000 -1.185) 1.194 14.186 ( -0.149 0.000 1.185) 1.194 14.332 ( 0.759 0.000 -0.981) 1.240 14.332 ( 0.759 0.000 0.981) 1.240 14.346 ( -0.469 0.000 -1.492) 1.564 14.346 ( -0.469 0.000 1.492) 1.564 ======================= Grid point 56 (21/24) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 12 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 0.000 -7.591 -10.520) 12.973 0.823 ( 0.000 7.591 -10.520) 12.973 0.823 ( 0.000 -7.591 10.520) 12.973 0.823 ( 0.000 7.591 10.520) 12.973 0.937 ( 0.000 -11.518 -8.233) 14.158 0.937 ( 0.000 11.518 -8.233) 14.158 0.937 ( 0.000 -11.518 8.233) 14.158 0.937 ( 0.000 11.518 8.233) 14.158 1.297 ( 0.000 -3.494 -3.550) 4.981 1.297 ( 0.000 3.494 -3.550) 4.981 1.297 ( 0.000 -3.494 3.550) 4.981 1.297 ( 0.000 3.494 3.550) 4.981 1.367 ( 0.000 -1.172 -2.500) 2.761 1.367 ( 0.000 1.172 -2.500) 2.761 1.367 ( 0.000 -1.172 2.500) 2.761 1.367 ( 0.000 1.172 2.500) 2.761 1.464 ( 0.000 -5.670 -8.222) 9.987 1.464 ( 0.000 5.670 -8.222) 9.987 1.464 ( 0.000 -5.670 8.222) 9.987 1.464 ( 0.000 5.670 8.222) 9.987 1.596 ( 0.000 -2.414 -6.036) 6.501 1.596 ( 0.000 2.414 -6.036) 6.501 1.596 ( 0.000 -2.414 6.036) 6.501 1.596 ( 0.000 2.414 6.036) 6.501 1.679 ( 0.000 -0.160 -2.685) 2.690 1.679 ( 0.000 0.160 -2.685) 2.690 1.679 ( 0.000 -0.160 2.685) 2.690 1.679 ( 0.000 0.160 2.685) 2.690 1.775 ( 0.000 -0.748 -1.728) 1.883 1.775 ( 0.000 0.748 -1.728) 1.883 1.775 ( 0.000 -0.748 1.728) 1.883 1.775 ( 0.000 0.748 1.728) 1.883 1.843 ( 0.000 -1.581 -3.384) 3.735 1.843 ( 0.000 1.581 -3.384) 3.735 1.843 ( 0.000 -1.581 3.384) 3.735 1.843 ( 0.000 1.581 3.384) 3.735 1.892 ( 0.000 -1.445 -2.831) 3.179 1.892 ( 0.000 1.445 -2.831) 3.179 1.892 ( 0.000 -1.445 2.831) 3.179 1.892 ( 0.000 1.445 2.831) 3.179 2.006 ( 0.000 -3.028 -1.219) 3.264 2.006 ( 0.000 -3.028 1.219) 3.264 2.006 ( 0.000 3.028 -1.219) 3.264 2.006 ( 0.000 3.028 1.219) 3.264 2.175 ( 0.000 -1.553 -0.667) 1.690 2.175 ( 0.000 -1.553 0.667) 1.690 2.175 ( 0.000 1.553 -0.667) 1.690 2.175 ( 0.000 1.553 0.667) 1.690 2.203 ( 0.000 -1.531 -2.689) 3.094 2.203 ( 0.000 1.531 -2.689) 3.094 2.203 ( 0.000 -1.531 2.689) 3.094 2.203 ( 0.000 1.531 2.689) 3.094 2.462 ( 0.000 -2.632 -0.354) 2.656 2.462 ( 0.000 -2.632 0.354) 2.656 2.462 ( 0.000 2.632 -0.354) 2.656 2.462 ( 0.000 2.632 0.354) 2.656 2.588 ( 0.000 -4.529 -1.450) 4.755 2.588 ( 0.000 -4.529 1.450) 4.755 2.588 ( 0.000 4.529 -1.450) 4.755 2.588 ( 0.000 4.529 1.450) 4.755 2.627 ( 0.000 -4.106 -3.402) 5.332 2.627 ( 0.000 4.106 -3.402) 5.332 2.627 ( 0.000 -4.106 3.402) 5.332 2.627 ( 0.000 4.106 3.402) 5.332 2.748 ( 0.000 -2.766 -1.916) 3.365 2.748 ( 0.000 2.766 -1.916) 3.365 2.748 ( 0.000 -2.766 1.916) 3.365 2.748 ( 0.000 2.766 1.916) 3.365 2.981 ( 0.000 -1.058 -2.752) 2.949 2.981 ( 0.000 1.058 -2.752) 2.949 2.981 ( 0.000 -1.058 2.752) 2.949 2.981 ( 0.000 1.058 2.752) 2.949 3.018 ( 0.000 -1.041 -2.776) 2.965 3.018 ( 0.000 1.041 -2.776) 2.965 3.018 ( 0.000 -1.041 2.776) 2.965 3.018 ( 0.000 1.041 2.776) 2.965 3.068 ( 0.000 -2.032 -3.197) 3.789 3.068 ( 0.000 2.032 -3.197) 3.789 3.068 ( 0.000 -2.032 3.197) 3.789 3.068 ( 0.000 2.032 3.197) 3.789 3.386 ( 0.000 -5.688 -6.210) 8.422 3.386 ( 0.000 5.688 -6.210) 8.422 3.386 ( 0.000 -5.688 6.210) 8.422 3.386 ( 0.000 5.688 6.210) 8.422 3.416 ( 0.000 -0.449 -5.542) 5.560 3.416 ( 0.000 0.449 -5.542) 5.560 3.416 ( 0.000 -0.449 5.542) 5.560 3.416 ( 0.000 0.449 5.542) 5.560 3.636 ( 0.000 -0.209 -4.282) 4.288 3.636 ( 0.000 0.209 -4.282) 4.288 3.636 ( 0.000 -0.209 4.282) 4.288 3.636 ( 0.000 0.209 4.282) 4.288 3.741 ( 0.000 -3.877 -2.226) 4.471 3.741 ( 0.000 -3.877 2.226) 4.471 3.741 ( 0.000 3.877 -2.226) 4.471 3.741 ( 0.000 3.877 2.226) 4.471 3.974 ( 0.000 -0.445 -0.764) 0.884 3.974 ( 0.000 0.445 -0.764) 0.884 3.974 ( 0.000 -0.445 0.764) 0.884 3.974 ( 0.000 0.445 0.764) 0.884 4.166 ( 0.000 -0.458 -3.222) 3.254 4.166 ( 0.000 0.458 -3.222) 3.254 4.166 ( 0.000 -0.458 3.222) 3.254 4.166 ( 0.000 0.458 3.222) 3.254 4.275 ( 0.000 -2.545 -1.234) 2.829 4.275 ( 0.000 -2.545 1.234) 2.829 4.275 ( 0.000 2.545 -1.234) 2.829 4.275 ( 0.000 2.545 1.234) 2.829 4.371 ( 0.000 -2.607 -3.673) 4.504 4.371 ( 0.000 2.607 -3.673) 4.504 4.371 ( 0.000 -2.607 3.673) 4.504 4.371 ( 0.000 2.607 3.673) 4.504 4.405 ( 0.000 -4.797 -2.251) 5.299 4.405 ( 0.000 -4.797 2.251) 5.299 4.405 ( 0.000 4.797 -2.251) 5.299 4.405 ( 0.000 4.797 2.251) 5.299 4.591 ( 0.000 -1.250 -3.060) 3.306 4.591 ( 0.000 1.250 -3.060) 3.306 4.591 ( 0.000 -1.250 3.060) 3.306 4.591 ( 0.000 1.250 3.060) 3.306 4.653 ( 0.000 -1.402 -3.378) 3.657 4.653 ( 0.000 1.402 -3.378) 3.657 4.653 ( 0.000 -1.402 3.378) 3.657 4.653 ( 0.000 1.402 3.378) 3.657 4.699 ( 0.000 -0.783 -2.895) 2.999 4.699 ( 0.000 0.783 -2.895) 2.999 4.699 ( 0.000 -0.783 2.895) 2.999 4.699 ( 0.000 0.783 2.895) 2.999 4.860 ( 0.000 -1.122 -2.609) 2.840 4.860 ( 0.000 1.122 -2.609) 2.840 4.860 ( 0.000 -1.122 2.609) 2.840 4.860 ( 0.000 1.122 2.609) 2.840 4.884 ( 0.000 -0.651 -3.130) 3.197 4.884 ( 0.000 0.651 -3.130) 3.197 4.884 ( 0.000 -0.651 3.130) 3.197 4.884 ( 0.000 0.651 3.130) 3.197 5.005 ( 0.000 -0.240 -1.072) 1.099 5.005 ( 0.000 0.240 -1.072) 1.099 5.005 ( 0.000 -0.240 1.072) 1.099 5.005 ( 0.000 0.240 1.072) 1.099 5.053 ( 0.000 -0.760 -0.735) 1.057 5.053 ( 0.000 0.760 -0.735) 1.057 5.053 ( 0.000 -0.760 0.735) 1.057 5.053 ( 0.000 0.760 0.735) 1.057 5.153 ( 0.000 -1.426 -1.558) 2.112 5.153 ( 0.000 1.426 -1.558) 2.112 5.153 ( 0.000 -1.426 1.558) 2.112 5.153 ( 0.000 1.426 1.558) 2.112 5.300 ( 0.000 -3.497 -1.832) 3.948 5.300 ( 0.000 -3.497 1.832) 3.948 5.300 ( 0.000 3.497 -1.832) 3.948 5.300 ( 0.000 3.497 1.832) 3.948 5.466 ( 0.000 -2.298 -1.594) 2.796 5.466 ( 0.000 2.298 -1.594) 2.796 5.466 ( 0.000 -2.298 1.594) 2.796 5.466 ( 0.000 2.298 1.594) 2.796 5.625 ( 0.000 -1.265 -2.394) 2.708 5.625 ( 0.000 1.265 -2.394) 2.708 5.625 ( 0.000 -1.265 2.394) 2.708 5.625 ( 0.000 1.265 2.394) 2.708 5.745 ( 0.000 -0.465 -1.056) 1.154 5.745 ( 0.000 0.465 -1.056) 1.154 5.745 ( 0.000 -0.465 1.056) 1.154 5.745 ( 0.000 0.465 1.056) 1.154 5.846 ( 0.000 -0.194 -1.051) 1.069 5.846 ( 0.000 0.194 -1.051) 1.069 5.846 ( 0.000 -0.194 1.051) 1.069 5.846 ( 0.000 0.194 1.051) 1.069 6.068 ( 0.000 -4.120 -4.546) 6.135 6.068 ( 0.000 4.120 -4.546) 6.135 6.068 ( 0.000 -4.120 4.546) 6.135 6.068 ( 0.000 4.120 4.546) 6.135 6.175 ( 0.000 -3.401 -1.097) 3.573 6.175 ( 0.000 -3.401 1.097) 3.573 6.175 ( 0.000 3.401 -1.097) 3.573 6.175 ( 0.000 3.401 1.097) 3.573 6.528 ( 0.000 -0.976 -1.623) 1.894 6.528 ( 0.000 0.976 -1.623) 1.894 6.528 ( 0.000 -0.976 1.623) 1.894 6.528 ( 0.000 0.976 1.623) 1.894 6.714 ( 0.000 -4.257 -5.232) 6.745 6.714 ( 0.000 4.257 -5.232) 6.745 6.714 ( 0.000 -4.257 5.232) 6.745 6.714 ( 0.000 4.257 5.232) 6.745 6.919 ( 0.000 -2.422 -1.140) 2.677 6.919 ( 0.000 -2.422 1.140) 2.677 6.919 ( 0.000 2.422 -1.140) 2.677 6.919 ( 0.000 2.422 1.140) 2.677 6.996 ( 0.000 -0.846 -0.497) 0.981 6.996 ( 0.000 -0.846 0.497) 0.981 6.996 ( 0.000 0.846 -0.497) 0.981 6.996 ( 0.000 0.846 0.497) 0.981 7.339 ( 0.000 -1.299 -4.800) 4.973 7.339 ( 0.000 1.299 -4.800) 4.973 7.339 ( 0.000 -1.299 4.800) 4.973 7.339 ( 0.000 1.299 4.800) 4.973 7.703 ( 0.000 -5.617 -3.930) 6.855 7.703 ( 0.000 5.617 -3.930) 6.855 7.703 ( 0.000 -5.617 3.930) 6.855 7.703 ( 0.000 5.617 3.930) 6.855 8.127 ( 0.000 -2.020 -3.862) 4.358 8.127 ( 0.000 2.020 -3.862) 4.358 8.127 ( 0.000 -2.020 3.862) 4.358 8.127 ( 0.000 2.020 3.862) 4.358 8.508 ( 0.000 -3.174 -4.881) 5.823 8.508 ( 0.000 3.174 -4.881) 5.823 8.508 ( 0.000 -3.174 4.881) 5.823 8.508 ( 0.000 3.174 4.881) 5.823 11.637 ( 0.000 -3.532 -1.167) 3.720 11.637 ( 0.000 -3.532 1.167) 3.720 11.637 ( 0.000 3.532 -1.167) 3.720 11.637 ( 0.000 3.532 1.167) 3.720 11.915 ( 0.000 -2.874 -4.760) 5.560 11.915 ( 0.000 2.874 -4.760) 5.560 11.915 ( 0.000 -2.874 4.760) 5.560 11.915 ( 0.000 2.874 4.760) 5.560 12.379 ( 0.000 -2.274 -5.589) 6.034 12.379 ( 0.000 2.274 -5.589) 6.034 12.379 ( 0.000 -2.274 5.589) 6.034 12.379 ( 0.000 2.274 5.589) 6.034 12.632 ( 0.000 -0.551 -3.200) 3.247 12.632 ( 0.000 0.551 -3.200) 3.247 12.632 ( 0.000 -0.551 3.200) 3.247 12.632 ( 0.000 0.551 3.200) 3.247 12.715 ( 0.000 -1.166 -1.942) 2.265 12.715 ( 0.000 1.166 -1.942) 2.265 12.715 ( 0.000 -1.166 1.942) 2.265 12.715 ( 0.000 1.166 1.942) 2.265 13.485 ( 0.000 -1.458 -1.824) 2.335 13.485 ( 0.000 1.458 -1.824) 2.335 13.485 ( 0.000 -1.458 1.824) 2.335 13.485 ( 0.000 1.458 1.824) 2.335 14.132 ( 0.000 -0.338 -1.094) 1.145 14.132 ( 0.000 0.338 -1.094) 1.145 14.132 ( 0.000 -0.338 1.094) 1.145 14.132 ( 0.000 0.338 1.094) 1.145 14.284 ( 0.000 -0.749 -1.426) 1.610 14.284 ( 0.000 0.749 -1.426) 1.610 14.284 ( 0.000 -0.749 1.426) 1.610 14.284 ( 0.000 0.749 1.426) 1.610 ======================= Grid point 60 (22/24) ======================= q-point: ( 0.14 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 21 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -2.525 -7.873 -9.835) 12.849 0.767 ( -2.525 7.863 -9.832) 12.840 0.767 ( -2.525 -7.863 9.832) 12.840 0.767 ( -2.525 7.873 9.835) 12.849 1.000 ( 3.617 -9.118 -7.357) 12.261 1.000 ( 3.617 1.967 -4.347) 5.987 1.000 ( 3.617 -1.967 4.347) 5.987 1.000 ( 3.617 9.118 7.357) 12.261 1.270 ( -2.168 -3.290 -3.256) 5.111 1.270 ( -2.168 -1.420 -2.586) 3.661 1.270 ( -2.168 1.420 2.586) 3.661 1.270 ( -2.168 3.290 3.256) 5.111 1.372 ( 0.249 -2.371 -2.560) 3.498 1.372 ( 0.249 -1.079 -2.138) 2.407 1.372 ( 0.249 1.079 2.138) 2.407 1.372 ( 0.249 2.371 2.560) 3.498 1.502 ( 1.947 -6.419 -4.689) 8.185 1.502 ( 1.947 -1.160 -2.066) 3.067 1.502 ( 1.947 1.160 2.066) 3.067 1.502 ( 1.947 6.419 4.689) 8.185 1.583 ( -1.075 -2.213 -3.883) 4.597 1.583 ( -1.075 0.530 -3.609) 3.803 1.583 ( -1.075 -0.530 3.609) 3.803 1.583 ( -1.075 2.213 3.883) 4.597 1.669 ( -1.052 -1.755 -3.129) 3.739 1.669 ( -1.052 1.533 -3.077) 3.595 1.669 ( -1.052 -1.533 3.077) 3.595 1.669 ( -1.052 1.755 3.129) 3.739 1.760 ( -0.894 -0.611 -0.557) 1.218 1.760 ( -0.894 -0.143 -0.392) 0.986 1.760 ( -0.894 0.143 0.392) 0.986 1.760 ( -0.894 0.611 0.557) 1.218 1.844 ( -0.259 -2.633 -2.181) 3.429 1.844 ( -0.259 1.489 -1.632) 2.225 1.844 ( -0.259 -1.489 1.632) 2.225 1.844 ( -0.259 2.633 2.181) 3.429 1.886 ( 0.451 -2.165 -2.784) 3.555 1.886 ( 0.451 -0.746 -2.432) 2.584 1.886 ( 0.451 0.746 2.432) 2.584 1.886 ( 0.451 2.165 2.784) 3.555 2.004 ( 0.266 -2.971 -0.953) 3.132 2.004 ( 0.266 -2.969 0.950) 3.128 2.004 ( 0.266 2.969 -0.950) 3.128 2.004 ( 0.266 2.971 0.953) 3.132 2.150 ( -1.686 -2.811 -3.469) 4.772 2.150 ( -1.686 2.379 -3.322) 4.420 2.150 ( -1.686 -2.379 3.322) 4.420 2.150 ( -1.686 2.811 3.469) 4.772 2.211 ( -0.612 -0.844 -1.977) 2.235 2.211 ( -0.612 0.633 -1.942) 2.132 2.211 ( -0.612 -0.633 1.942) 2.132 2.211 ( -0.612 0.844 1.977) 2.235 2.460 ( -0.796 -2.085 -2.250) 3.169 2.460 ( -0.796 0.642 -1.821) 2.089 2.460 ( -0.796 -0.642 1.821) 2.089 2.460 ( -0.796 2.085 2.250) 3.169 2.551 ( -3.174 -2.801 -2.034) 4.696 2.551 ( -3.174 0.879 -0.996) 3.441 2.551 ( -3.174 -0.879 0.996) 3.441 2.551 ( -3.174 2.801 2.034) 4.696 2.614 ( -0.414 -4.327 -3.502) 5.582 2.614 ( -0.414 -1.418 -2.200) 2.650 2.614 ( -0.414 1.418 2.200) 2.650 2.614 ( -0.414 4.327 3.502) 5.582 2.757 ( 0.438 -4.580 -2.793) 5.382 2.757 ( 0.438 -2.613 -1.232) 2.922 2.757 ( 0.438 2.613 1.232) 2.922 2.757 ( 0.438 4.580 2.793) 5.382 2.954 ( -1.982 -0.856 -3.726) 4.306 2.954 ( -1.982 0.630 -3.706) 4.249 2.954 ( -1.982 -0.630 3.706) 4.249 2.954 ( -1.982 0.856 3.726) 4.306 3.026 ( 1.953 -1.821 -2.571) 3.707 3.026 ( 1.953 1.757 -2.551) 3.662 3.026 ( 1.953 -1.757 2.551) 3.662 3.026 ( 1.953 1.821 2.571) 3.707 3.127 ( 4.333 -1.876 -4.732) 6.684 3.127 ( 4.333 1.819 -4.722) 6.661 3.127 ( 4.333 -1.819 4.722) 6.661 3.127 ( 4.333 1.876 4.732) 6.684 3.385 ( -0.848 -2.691 -2.669) 3.884 3.385 ( -0.848 0.344 -1.989) 2.189 3.385 ( -0.848 -0.344 1.989) 2.189 3.385 ( -0.848 2.691 2.669) 3.884 3.458 ( 3.766 -1.981 -3.317) 5.395 3.458 ( 3.766 -1.452 -3.193) 5.146 3.458 ( 3.766 1.452 3.193) 5.146 3.458 ( 3.766 1.981 3.317) 5.395 3.579 ( -3.019 -0.829 -1.172) 3.343 3.579 ( -3.019 -0.650 -1.120) 3.285 3.579 ( -3.019 0.650 1.120) 3.285 3.579 ( -3.019 0.829 1.172) 3.343 3.766 ( 1.193 -3.917 -2.472) 4.783 3.766 ( 1.193 -1.286 0.172) 1.763 3.766 ( 1.193 1.286 -0.172) 1.763 3.766 ( 1.193 3.917 2.472) 4.783 3.972 ( -0.530 -1.910 -2.378) 3.096 3.972 ( -0.530 1.777 -2.332) 2.980 3.972 ( -0.530 -1.777 2.332) 2.980 3.972 ( -0.530 1.910 2.378) 3.096 4.139 ( -2.143 -0.749 -2.121) 3.107 4.139 ( -2.143 0.634 -2.105) 3.069 4.139 ( -2.143 -0.634 2.105) 3.069 4.139 ( -2.143 0.749 2.121) 3.107 4.253 ( -2.326 -2.783 -1.302) 3.853 4.253 ( -2.326 -1.982 0.009) 3.056 4.253 ( -2.326 1.982 -0.009) 3.056 4.253 ( -2.326 2.783 1.302) 3.853 4.335 ( -2.329 -0.576 -3.639) 4.358 4.335 ( -2.329 0.048 -3.619) 4.303 4.335 ( -2.329 -0.048 3.619) 4.303 4.335 ( -2.329 0.576 3.639) 4.358 4.430 ( 1.531 -2.626 -1.901) 3.585 4.430 ( 1.531 -0.423 -0.793) 1.775 4.430 ( 1.531 0.423 0.793) 1.775 4.430 ( 1.531 2.626 1.901) 3.585 4.589 ( 0.396 -0.657 -1.587) 1.763 4.589 ( 0.396 -0.104 -1.527) 1.581 4.589 ( 0.396 0.104 1.527) 1.581 4.589 ( 0.396 0.657 1.587) 1.763 4.614 ( -2.760 -2.216 -3.380) 4.894 4.614 ( -2.760 1.634 -3.229) 4.551 4.614 ( -2.760 -1.634 3.229) 4.551 4.614 ( -2.760 2.216 3.380) 4.894 4.723 ( 1.188 -1.069 -1.901) 2.484 4.723 ( 1.188 0.874 -1.857) 2.371 4.723 ( 1.188 -0.874 1.857) 2.371 4.723 ( 1.188 1.069 1.901) 2.484 4.839 ( -1.249 -0.890 -0.255) 1.554 4.839 ( -1.249 -0.811 0.075) 1.491 4.839 ( -1.249 0.811 -0.075) 1.491 4.839 ( -1.249 0.890 0.255) 1.554 4.893 ( 0.284 -1.367 -3.545) 3.810 4.893 ( 0.284 1.178 -3.515) 3.717 4.893 ( 0.284 -1.178 3.515) 3.717 4.893 ( 0.284 1.367 3.545) 3.810 5.005 ( -0.752 -2.736 -1.108) 3.046 5.005 ( -0.752 -2.610 0.964) 2.882 5.005 ( -0.752 2.610 -0.964) 2.882 5.005 ( -0.752 2.736 1.108) 3.046 5.071 ( 1.136 -0.892 -1.352) 1.978 5.071 ( 1.136 0.696 -1.300) 1.862 5.071 ( 1.136 -0.696 1.300) 1.862 5.071 ( 1.136 0.892 1.352) 1.978 5.163 ( 1.718 -3.137 -0.509) 3.613 5.163 ( 1.718 -3.134 0.501) 3.609 5.163 ( 1.718 3.134 -0.501) 3.609 5.163 ( 1.718 3.137 0.509) 3.613 5.345 ( 3.290 -2.252 -2.219) 4.562 5.345 ( 3.290 1.922 -2.077) 4.340 5.345 ( 3.290 -1.922 2.077) 4.340 5.345 ( 3.290 2.252 2.219) 4.562 5.506 ( 3.624 -2.065 -2.103) 4.671 5.506 ( 3.624 0.048 -1.591) 3.958 5.506 ( 3.624 -0.048 1.591) 3.958 5.506 ( 3.624 2.065 2.103) 4.671 5.627 ( 0.272 -1.377 -1.350) 1.948 5.627 ( 0.272 1.073 -1.221) 1.648 5.627 ( 0.272 -1.073 1.221) 1.648 5.627 ( 0.272 1.377 1.350) 1.948 5.755 ( 1.115 -1.228 -2.396) 2.914 5.755 ( 1.115 -0.141 -2.254) 2.519 5.755 ( 1.115 0.141 2.254) 2.519 5.755 ( 1.115 1.228 2.396) 2.914 5.854 ( 0.555 -1.773 -0.483) 1.920 5.854 ( 0.555 -1.639 0.170) 1.738 5.854 ( 0.555 1.639 -0.170) 1.738 5.854 ( 0.555 1.773 0.483) 1.920 6.087 ( 1.874 -1.865 -4.249) 5.004 6.087 ( 1.874 0.903 -4.107) 4.604 6.087 ( 1.874 -0.903 4.107) 4.604 6.087 ( 1.874 1.865 4.249) 5.004 6.198 ( 1.231 -5.487 -2.002) 5.969 6.198 ( 1.231 -5.168 1.580) 5.542 6.198 ( 1.231 5.168 -1.580) 5.542 6.198 ( 1.231 5.487 2.002) 5.969 6.538 ( 2.439 -2.682 -2.749) 4.550 6.538 ( 2.439 2.209 -2.556) 4.167 6.538 ( 2.439 -2.209 2.556) 4.167 6.538 ( 2.439 2.682 2.749) 4.550 6.726 ( 1.006 -5.621 -4.177) 7.075 6.726 ( 1.006 -0.231 -1.851) 2.119 6.726 ( 1.006 0.231 1.851) 2.119 6.726 ( 1.006 5.621 4.177) 7.075 6.940 ( 0.818 -1.194 -3.020) 3.349 6.940 ( 0.818 0.556 -2.937) 3.099 6.940 ( 0.818 -0.556 2.937) 3.099 6.940 ( 0.818 1.194 3.020) 3.349 7.019 ( 2.803 -1.155 -2.195) 3.743 7.019 ( 2.803 0.879 -2.137) 3.633 7.019 ( 2.803 -0.879 2.137) 3.633 7.019 ( 2.803 1.155 2.195) 3.743 7.355 ( 1.317 -1.571 -4.801) 5.220 7.355 ( 1.317 1.570 -4.801) 5.220 7.355 ( 1.317 -1.570 4.801) 5.220 7.355 ( 1.317 1.571 4.801) 5.220 7.678 ( -2.713 -4.544 -3.393) 6.286 7.678 ( -2.713 -0.170 -1.533) 3.121 7.678 ( -2.713 0.170 1.533) 3.121 7.678 ( -2.713 4.544 3.393) 6.286 8.074 ( -5.003 -3.492 -2.952) 6.778 8.074 ( -5.003 0.027 -1.815) 5.322 8.074 ( -5.003 -0.027 1.815) 5.322 8.074 ( -5.003 3.492 2.952) 6.778 8.425 ( -7.790 -1.076 -3.292) 8.525 8.425 ( -7.790 1.044 -3.288) 8.519 8.425 ( -7.790 -1.044 3.288) 8.519 8.425 ( -7.790 1.076 3.292) 8.525 11.647 ( 0.968 -2.914 -1.571) 3.449 11.647 ( 0.968 -1.757 0.261) 2.023 11.647 ( 0.968 1.757 -0.261) 2.023 11.647 ( 0.968 2.914 1.571) 3.449 11.908 ( -0.771 -2.732 -4.716) 5.504 11.908 ( -0.771 2.732 -4.716) 5.504 11.908 ( -0.771 -2.732 4.716) 5.504 11.908 ( -0.771 2.732 4.716) 5.504 12.372 ( -0.776 -1.629 -5.355) 5.651 12.372 ( -0.776 1.355 -5.321) 5.545 12.372 ( -0.776 -1.355 5.321) 5.545 12.372 ( -0.776 1.629 5.355) 5.651 12.532 ( -4.607 -3.379 -2.946) 6.429 12.532 ( -4.607 2.069 -2.347) 5.569 12.532 ( -4.607 -2.069 2.347) 5.569 12.532 ( -4.607 3.379 2.946) 6.429 12.764 ( 0.983 -0.607 -1.166) 1.641 12.764 ( 0.983 0.437 -1.131) 1.561 12.764 ( 0.983 -0.437 1.131) 1.561 12.764 ( 0.983 0.607 1.166) 1.641 13.354 ( -11.362 -0.131 -3.826) 11.990 13.354 ( -11.362 0.116 -3.826) 11.990 13.354 ( -11.362 -0.116 3.826) 11.990 13.354 ( -11.362 0.131 3.826) 11.990 14.151 ( 1.331 -0.515 -1.159) 1.838 14.151 ( 1.331 0.479 -1.152) 1.824 14.151 ( 1.331 -0.479 1.152) 1.824 14.151 ( 1.331 0.515 1.159) 1.838 14.302 ( 1.430 -0.666 -1.076) 1.910 14.302 ( 1.430 0.378 -1.012) 1.793 14.302 ( 1.430 -0.378 1.012) 1.793 14.302 ( 1.430 0.666 1.076) 1.910 ======================= Grid point 64 (23/24) ======================= q-point: ( 0.29 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 21 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 1.587 -4.007 -7.924) 9.020 0.757 ( 1.587 3.997 -7.921) 9.013 0.757 ( 1.587 -3.997 7.921) 9.013 0.757 ( 1.587 4.007 7.924) 9.020 1.069 ( 3.259 -6.762 -4.533) 8.769 1.069 ( 3.259 -2.045 -1.445) 4.110 1.069 ( 3.259 2.045 1.445) 4.110 1.069 ( 3.259 6.762 4.533) 8.769 1.222 ( -2.493 -2.911 -4.044) 5.572 1.222 ( -2.493 1.335 -3.658) 4.624 1.222 ( -2.493 -1.335 3.658) 4.624 1.222 ( -2.493 2.911 4.044) 5.572 1.348 ( -2.706 -1.591 -2.778) 4.192 1.348 ( -2.706 0.745 -2.615) 3.836 1.348 ( -2.706 -0.745 2.615) 3.836 1.348 ( -2.706 1.591 2.778) 4.192 1.508 ( -1.478 -4.536 -3.462) 5.895 1.508 ( -1.478 0.008 -1.687) 2.243 1.508 ( -1.478 -0.008 1.687) 2.243 1.508 ( -1.478 4.536 3.463) 5.895 1.523 ( -3.329 -2.751 -3.488) 5.552 1.523 ( -3.329 0.352 -2.976) 4.480 1.523 ( -3.329 -0.352 2.976) 4.480 1.523 ( -3.329 2.751 3.488) 5.552 1.666 ( -0.465 -3.583 -2.834) 4.592 1.666 ( -0.465 2.194 -2.114) 3.082 1.666 ( -0.465 -2.194 2.114) 3.082 1.666 ( -0.465 3.583 2.834) 4.592 1.760 ( 1.744 -2.173 -4.420) 5.225 1.760 ( 1.744 1.510 -4.295) 4.875 1.760 ( 1.744 -1.510 4.295) 4.875 1.760 ( 1.744 2.173 4.420) 5.225 1.847 ( 0.582 -1.068 -2.234) 2.543 1.847 ( 0.582 0.481 -2.142) 2.271 1.847 ( 0.582 -0.481 2.142) 2.271 1.847 ( 0.582 1.068 2.234) 2.543 1.914 ( 0.753 -1.884 -1.496) 2.520 1.914 ( 0.753 0.149 -0.818) 1.122 1.914 ( 0.753 -0.149 0.818) 1.122 1.914 ( 0.753 1.884 1.496) 2.520 2.010 ( 0.042 -3.466 -2.473) 4.258 2.010 ( 0.042 -1.868 -1.524) 2.411 2.010 ( 0.042 1.868 1.524) 2.411 2.010 ( 0.042 3.466 2.473) 4.258 2.113 ( -1.454 -4.564 -2.403) 5.359 2.113 ( -1.454 -2.861 0.394) 3.233 2.113 ( -1.454 2.861 -0.394) 3.233 2.113 ( -1.454 4.564 2.403) 5.359 2.177 ( -1.923 -0.707 -1.697) 2.660 2.177 ( -1.923 0.635 -1.684) 2.634 2.177 ( -1.923 -0.635 1.684) 2.634 2.177 ( -1.923 0.707 1.697) 2.660 2.415 ( -2.041 -2.745 -2.847) 4.450 2.415 ( -2.041 -0.724 -2.233) 3.111 2.415 ( -2.041 0.724 2.233) 3.111 2.415 ( -2.041 2.745 2.847) 4.450 2.514 ( -0.626 -1.424 -1.557) 2.201 2.514 ( -0.626 1.345 -1.525) 2.128 2.514 ( -0.626 -1.345 1.525) 2.128 2.514 ( -0.626 1.424 1.557) 2.201 2.601 ( -0.972 -4.664 -4.413) 6.494 2.601 ( -0.972 0.146 -3.133) 3.284 2.601 ( -0.972 -0.146 3.133) 3.284 2.601 ( -0.972 4.664 4.413) 6.494 2.747 ( -1.862 -5.167 -2.546) 6.054 2.747 ( -1.862 -3.480 0.020) 3.946 2.747 ( -1.862 3.480 -0.020) 3.946 2.747 ( -1.862 5.167 2.546) 6.054 2.945 ( 1.224 -3.132 -3.080) 4.560 2.945 ( 1.224 1.845 -2.577) 3.398 2.945 ( 1.224 -1.845 2.577) 3.398 2.945 ( 1.224 3.132 3.080) 4.560 3.063 ( 0.908 -2.294 -1.542) 2.909 3.063 ( 0.908 -0.765 -0.547) 1.307 3.063 ( 0.908 0.765 0.547) 1.307 3.063 ( 0.908 2.294 1.542) 2.909 3.224 ( 4.361 -0.793 -4.138) 6.064 3.224 ( 4.361 0.734 -4.133) 6.053 3.224 ( 4.361 -0.734 4.133) 6.053 3.224 ( 4.361 0.793 4.138) 6.064 3.370 ( 0.898 -1.725 -0.205) 1.956 3.370 ( 0.898 -1.703 0.091) 1.927 3.370 ( 0.898 1.703 -0.091) 1.927 3.370 ( 0.898 1.725 0.205) 1.956 3.503 ( -0.527 -1.388 -1.828) 2.355 3.503 ( -0.527 0.704 -1.645) 1.866 3.503 ( -0.527 -0.704 1.645) 1.866 3.503 ( -0.527 1.388 1.828) 2.355 3.596 ( 4.697 -3.593 -3.267) 6.757 3.596 ( 4.697 1.999 -2.591) 5.725 3.596 ( 4.697 -1.999 2.591) 5.725 3.596 ( 4.697 3.593 3.267) 6.757 3.784 ( 0.921 -3.058 -2.331) 3.954 3.784 ( 0.921 0.458 -1.171) 1.559 3.784 ( 0.921 -0.458 1.171) 1.559 3.784 ( 0.921 3.058 2.331) 3.954 3.939 ( -2.508 -2.056 -2.580) 4.144 3.939 ( -2.508 1.685 -2.457) 3.894 3.939 ( -2.508 -1.685 2.457) 3.894 3.939 ( -2.508 2.056 2.580) 4.144 4.095 ( -2.356 -1.554 -1.704) 3.297 4.095 ( -2.356 1.509 -1.686) 3.266 4.095 ( -2.356 -1.509 1.686) 3.266 4.095 ( -2.356 1.554 1.704) 3.297 4.194 ( -2.457 -0.869 -3.676) 4.506 4.194 ( -2.457 0.698 -3.659) 4.462 4.194 ( -2.457 -0.698 3.659) 4.462 4.194 ( -2.457 0.869 3.676) 4.506 4.291 ( -1.645 -0.576 -2.239) 2.838 4.291 ( -1.645 0.539 -2.235) 2.827 4.291 ( -1.645 -0.539 2.235) 2.827 4.291 ( -1.645 0.576 2.239) 2.838 4.437 ( -1.794 -1.080 -1.716) 2.708 4.437 ( -1.794 0.187 -1.563) 2.387 4.437 ( -1.794 -0.187 1.563) 2.387 4.437 ( -1.794 1.080 1.716) 2.708 4.557 ( -1.889 -1.056 -3.254) 3.908 4.557 ( -1.889 1.000 -3.246) 3.887 4.557 ( -1.889 -1.000 3.246) 3.887 4.557 ( -1.889 1.056 3.254) 3.908 4.623 ( 2.287 -3.351 -1.322) 4.267 4.623 ( 2.287 -3.149 1.078) 4.038 4.623 ( 2.287 3.149 -1.078) 4.038 4.623 ( 2.287 3.351 1.322) 4.267 4.740 ( 0.273 -1.198 -1.110) 1.656 4.740 ( 0.273 0.431 -0.822) 0.967 4.740 ( 0.273 -0.431 0.822) 0.967 4.740 ( 0.273 1.198 1.110) 1.656 4.810 ( -1.423 -1.816 -1.203) 2.602 4.810 ( -1.423 -0.268 -0.112) 1.452 4.810 ( -1.423 0.268 0.112) 1.452 4.810 ( -1.423 1.816 1.203) 2.602 4.892 ( -0.124 -1.134 -3.276) 3.469 4.892 ( -0.124 0.718 -3.224) 3.305 4.892 ( -0.124 -0.718 3.224) 3.305 4.892 ( -0.124 1.134 3.276) 3.469 4.980 ( -1.015 -2.459 -0.308) 2.678 4.980 ( -1.015 -2.458 0.306) 2.677 4.980 ( -1.015 2.458 -0.306) 2.677 4.980 ( -1.015 2.459 0.308) 2.678 5.075 ( -0.815 -2.968 -1.027) 3.244 5.075 ( -0.815 -2.537 0.002) 2.665 5.075 ( -0.815 2.537 -0.002) 2.665 5.075 ( -0.815 2.968 1.027) 3.244 5.226 ( 3.593 -0.914 -1.215) 3.901 5.226 ( 3.593 0.425 -1.089) 3.778 5.226 ( 3.593 -0.425 1.089) 3.778 5.226 ( 3.593 0.914 1.215) 3.901 5.397 ( 1.340 -1.125 -3.020) 3.490 5.397 ( 1.340 1.053 -3.008) 3.457 5.397 ( 1.340 -1.053 3.008) 3.457 5.397 ( 1.340 1.125 3.020) 3.490 5.591 ( 3.474 -1.038 -0.443) 3.653 5.591 ( 3.474 -0.841 0.175) 3.578 5.591 ( 3.474 0.841 -0.175) 3.578 5.591 ( 3.474 1.038 0.443) 3.653 5.646 ( 1.868 -1.434 -1.763) 2.942 5.646 ( 1.868 0.734 -1.560) 2.542 5.646 ( 1.868 -0.734 1.560) 2.542 5.646 ( 1.868 1.434 1.763) 2.942 5.776 ( 0.459 -3.111 -1.607) 3.532 5.776 ( 0.459 -2.086 -0.463) 2.186 5.776 ( 0.459 2.086 0.463) 2.186 5.776 ( 0.459 3.111 1.607) 3.532 5.871 ( 0.944 -2.400 -1.448) 2.958 5.871 ( 0.944 -1.330 0.568) 1.727 5.871 ( 0.944 1.330 -0.568) 1.727 5.871 ( 0.944 2.400 1.448) 2.958 6.125 ( 1.684 -0.907 -2.503) 3.150 6.125 ( 1.684 0.552 -2.457) 3.029 6.125 ( 1.684 -0.552 2.457) 3.029 6.125 ( 1.684 0.907 2.503) 3.150 6.224 ( 1.573 -3.509 -3.908) 5.483 6.224 ( 1.573 3.298 -3.826) 5.290 6.224 ( 1.573 -3.298 3.826) 5.290 6.224 ( 1.573 3.509 3.908) 5.483 6.634 ( 5.519 -3.312 -3.123) 7.154 6.634 ( 5.519 1.804 -2.515) 6.327 6.634 ( 5.519 -1.804 2.515) 6.327 6.634 ( 5.519 3.312 3.123) 7.154 6.765 ( 2.908 -7.114 -2.938) 8.228 6.765 ( 2.908 -5.773 -0.977) 6.538 6.765 ( 2.908 5.773 0.977) 6.538 6.765 ( 2.908 7.114 2.938) 8.228 6.948 ( 0.744 -1.006 -3.093) 3.336 6.948 ( 0.744 0.784 -3.064) 3.249 6.948 ( 0.744 -0.784 3.064) 3.249 6.948 ( 0.744 1.006 3.093) 3.336 7.092 ( 3.169 -2.313 -3.157) 5.035 7.092 ( 3.169 2.017 -3.066) 4.848 7.092 ( 3.169 -2.017 3.066) 4.848 7.092 ( 3.169 2.313 3.157) 5.035 7.389 ( 1.911 -2.968 -4.879) 6.022 7.389 ( 1.911 2.846 -4.846) 5.936 7.389 ( 1.911 -2.846 4.846) 5.936 7.389 ( 1.911 2.968 4.879) 6.022 7.590 ( -5.121 -3.379 -2.265) 6.540 7.590 ( -5.121 -2.188 -1.478) 5.762 7.590 ( -5.121 2.188 1.478) 5.762 7.590 ( -5.121 3.379 2.265) 6.540 7.931 ( -7.972 -4.411 -2.814) 9.535 7.931 ( -7.972 -1.736 0.782) 8.196 7.931 ( -7.972 1.736 -0.782) 8.196 7.931 ( -7.972 4.411 2.814) 9.535 8.206 ( -12.464 -2.014 -2.426) 12.856 8.206 ( -12.464 1.831 -2.361) 12.817 8.206 ( -12.464 -1.831 2.361) 12.817 8.206 ( -12.464 2.014 2.426) 12.856 11.679 ( 2.197 -1.615 -2.490) 3.693 11.679 ( 2.197 1.528 -2.466) 3.639 11.679 ( 2.197 -1.528 2.466) 3.639 11.679 ( 2.197 1.615 2.490) 3.693 11.875 ( -2.511 -2.176 -4.330) 5.459 11.875 ( -2.511 2.053 -4.304) 5.389 11.875 ( -2.511 -2.053 4.304) 5.389 11.875 ( -2.511 2.176 4.330) 5.459 12.364 ( 0.866 -1.280 -3.677) 3.989 12.364 ( 0.866 0.678 -3.605) 3.769 12.364 ( 0.866 -0.678 3.605) 3.769 12.364 ( 0.866 1.280 3.677) 3.989 12.491 ( -0.119 -2.413 -2.699) 3.622 12.491 ( -0.119 2.195 -2.615) 3.415 12.491 ( -0.119 -2.195 2.615) 3.415 12.491 ( -0.119 2.413 2.699) 3.622 12.742 ( -2.489 -2.590 -1.333) 3.832 12.742 ( -2.489 -1.781 0.451) 3.093 12.742 ( -2.489 1.781 -0.451) 3.093 12.742 ( -2.489 2.590 1.333) 3.832 13.084 ( -13.057 -1.195 -3.892) 13.677 13.084 ( -13.057 -0.046 -3.810) 13.601 13.084 ( -13.057 0.046 3.810) 13.601 13.084 ( -13.057 1.195 3.892) 13.677 14.173 ( 0.726 -0.497 -0.913) 1.268 14.173 ( 0.726 0.342 -0.880) 1.191 14.173 ( 0.726 -0.342 0.880) 1.191 14.173 ( 0.726 0.497 0.913) 1.268 14.329 ( 0.908 -0.960 -0.889) 1.592 14.329 ( 0.908 0.953 -0.885) 1.586 14.329 ( 0.908 -0.953 0.885) 1.586 14.329 ( 0.908 0.960 0.889) 1.592 ======================= Grid point 68 (24/24) ======================= q-point: ( 0.43 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 21 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 2.746 -1.539 -4.764) 5.710 0.813 ( 2.746 1.524 -4.761) 5.704 0.813 ( 2.746 -1.524 4.761) 5.704 0.813 ( 2.746 1.539 4.764) 5.710 1.096 ( -1.671 -3.599 -3.165) 5.076 1.096 ( -1.671 2.000 -2.457) 3.582 1.096 ( -1.671 -2.000 2.457) 3.582 1.096 ( -1.671 3.600 3.165) 5.076 1.200 ( 1.818 -2.580 -1.900) 3.684 1.200 ( 1.818 1.466 -1.268) 2.657 1.200 ( 1.818 -1.466 1.268) 2.657 1.200 ( 1.818 2.580 1.900) 3.684 1.294 ( -2.061 -1.041 -5.223) 5.710 1.294 ( -2.061 0.953 -5.216) 5.688 1.294 ( -2.061 -0.953 5.216) 5.688 1.294 ( -2.061 1.041 5.223) 5.710 1.422 ( -2.913 -1.624 -3.784) 5.045 1.422 ( -2.913 0.408 -3.636) 4.677 1.422 ( -2.913 -0.408 3.636) 4.677 1.422 ( -2.913 1.624 3.784) 5.045 1.502 ( -1.441 -1.030 -0.267) 1.791 1.502 ( -1.441 -0.958 0.088) 1.733 1.502 ( -1.441 0.958 -0.088) 1.733 1.502 ( -1.441 1.030 0.267) 1.791 1.689 ( 3.560 -4.484 -0.366) 5.737 1.689 ( 3.560 -4.450 -0.044) 5.699 1.689 ( 3.560 4.450 0.044) 5.699 1.689 ( 3.560 4.484 0.366) 5.737 1.796 ( 0.224 -2.122 -2.471) 3.265 1.796 ( 0.224 1.695 -2.320) 2.882 1.796 ( 0.224 -1.695 2.320) 2.882 1.796 ( 0.224 2.122 2.471) 3.265 1.826 ( -3.038 -1.515 -0.964) 3.529 1.826 ( -3.038 -0.755 -0.403) 3.156 1.826 ( -3.038 0.755 0.403) 3.156 1.826 ( -3.038 1.515 0.964) 3.529 1.897 ( -0.447 -1.016 -1.254) 1.675 1.897 ( -0.447 0.662 -1.144) 1.395 1.897 ( -0.447 -0.662 1.144) 1.395 1.897 ( -0.447 1.016 1.254) 1.675 1.999 ( -0.913 -1.391 -2.040) 2.633 1.999 ( -0.913 1.001 -1.936) 2.363 1.999 ( -0.913 -1.001 1.936) 2.363 1.999 ( -0.913 1.391 2.040) 2.633 2.117 ( 1.589 -4.100 -1.769) 4.740 2.117 ( 1.589 -3.931 1.589) 4.528 2.117 ( 1.589 3.931 -1.589) 4.528 2.117 ( 1.589 4.100 1.769) 4.740 2.149 ( -1.138 -2.441 -1.893) 3.292 2.149 ( -1.138 1.966 -1.629) 2.795 2.149 ( -1.138 -1.966 1.629) 2.795 2.149 ( -1.138 2.441 1.893) 3.292 2.420 ( 1.906 -2.013 -2.396) 3.664 2.420 ( 1.906 -1.405 -2.195) 3.229 2.420 ( 1.906 1.405 2.195) 3.229 2.420 ( 1.906 2.013 2.396) 3.664 2.498 ( -1.163 -2.395 -1.945) 3.297 2.498 ( -1.163 0.250 -1.123) 1.636 2.498 ( -1.163 -0.250 1.123) 1.636 2.498 ( -1.163 2.395 1.945) 3.297 2.586 ( -0.122 -2.454 -2.250) 3.331 2.586 ( -0.122 -0.874 -1.651) 1.872 2.586 ( -0.122 0.874 1.651) 1.872 2.586 ( -0.122 2.454 2.250) 3.331 2.691 ( -2.536 -1.475 -1.304) 3.210 2.691 ( -2.536 -0.685 -0.970) 2.800 2.691 ( -2.536 0.685 0.970) 2.800 2.691 ( -2.536 1.475 1.304) 3.210 2.973 ( 0.804 -2.831 -2.019) 3.570 2.973 ( 0.804 -1.063 -1.008) 1.671 2.973 ( 0.804 1.063 1.008) 1.671 2.973 ( 0.804 2.831 2.019) 3.570 3.068 ( -0.030 -2.213 -1.303) 2.569 3.068 ( -0.030 -1.398 -0.625) 1.531 3.068 ( -0.030 1.398 0.625) 1.531 3.068 ( -0.030 2.213 1.303) 2.569 3.302 ( 2.935 -0.838 -2.279) 3.809 3.302 ( 2.935 0.320 -2.220) 3.694 3.302 ( 2.935 -0.320 2.220) 3.694 3.302 ( 2.935 0.838 2.279) 3.809 3.415 ( 1.854 -1.100 -2.598) 3.376 3.415 ( 1.854 0.368 -2.504) 3.137 3.415 ( 1.854 -0.368 2.504) 3.137 3.415 ( 1.854 1.100 2.598) 3.376 3.473 ( -1.653 -1.270 -1.827) 2.772 3.473 ( -1.653 -0.033 -1.619) 2.315 3.473 ( -1.653 0.033 1.619) 2.315 3.473 ( -1.653 1.270 1.827) 2.772 3.692 ( 3.445 -3.292 -3.171) 5.724 3.692 ( 3.445 1.893 -2.614) 4.721 3.692 ( 3.445 -1.893 2.614) 4.721 3.692 ( 3.445 3.292 3.171) 5.724 3.801 ( -0.407 -0.341 -1.067) 1.192 3.801 ( -0.407 0.339 -1.067) 1.191 3.801 ( -0.407 -0.339 1.067) 1.191 3.801 ( -0.407 0.341 1.067) 1.192 3.913 ( 1.876 -2.009 -2.598) 3.782 3.913 ( 1.876 1.493 -2.439) 3.420 3.913 ( 1.876 -1.493 2.439) 3.420 3.913 ( 1.876 2.009 2.598) 3.782 4.015 ( -5.031 -3.230 -1.025) 6.066 4.015 ( -5.031 -3.228 1.022) 6.064 4.015 ( -5.031 3.228 -1.022) 6.064 4.015 ( -5.031 3.230 1.025) 6.066 4.181 ( 0.589 -2.369 -2.488) 3.486 4.181 ( 0.589 2.202 -2.419) 3.323 4.181 ( 0.589 -2.202 2.419) 3.323 4.181 ( 0.589 2.369 2.488) 3.486 4.277 ( 0.307 -0.196 -0.849) 0.924 4.277 ( 0.307 0.122 -0.843) 0.905 4.277 ( 0.307 -0.122 0.843) 0.905 4.277 ( 0.307 0.196 0.849) 0.924 4.369 ( -3.304 -0.925 -1.268) 3.658 4.369 ( -3.304 0.631 -1.185) 3.566 4.369 ( -3.304 -0.631 1.185) 3.566 4.369 ( -3.304 0.925 1.268) 3.658 4.536 ( -0.505 -0.281 -1.177) 1.311 4.536 ( -0.505 0.005 -1.162) 1.267 4.536 ( -0.505 -0.005 1.162) 1.267 4.536 ( -0.505 0.281 1.177) 1.311 4.664 ( 1.609 -2.870 -1.877) 3.788 4.664 ( 1.609 -0.892 -0.464) 1.898 4.664 ( 1.609 0.892 0.464) 1.898 4.664 ( 1.609 2.870 1.877) 3.788 4.716 ( -2.069 -2.194 -1.370) 3.313 4.716 ( -2.069 -0.802 0.148) 2.224 4.716 ( -2.069 0.802 -0.148) 2.224 4.716 ( -2.069 2.194 1.370) 3.313 4.814 ( 1.323 -1.363 -1.464) 2.398 4.814 ( 1.323 1.094 -1.359) 2.190 4.814 ( 1.323 -1.094 1.359) 2.190 4.814 ( 1.323 1.363 1.464) 2.398 4.887 ( -0.456 -0.856 -1.196) 1.540 4.887 ( -0.456 -0.218 -1.061) 1.175 4.887 ( -0.456 0.218 1.061) 1.175 4.887 ( -0.456 0.856 1.196) 1.540 4.984 ( 1.540 -2.835 -1.215) 3.447 4.984 ( 1.540 -2.500 0.826) 3.050 4.984 ( 1.540 2.500 -0.826) 3.050 4.984 ( 1.540 2.835 1.215) 3.447 5.039 ( -2.389 -3.185 -0.853) 4.072 5.039 ( -2.389 -3.096 0.694) 3.972 5.039 ( -2.389 3.096 -0.694) 3.972 5.039 ( -2.389 3.185 0.853) 4.072 5.290 ( 2.135 -0.409 -1.057) 2.417 5.290 ( 2.135 0.378 -1.052) 2.410 5.290 ( 2.135 -0.378 1.052) 2.410 5.290 ( 2.135 0.409 1.057) 2.417 5.401 ( -0.523 -0.562 -2.198) 2.329 5.401 ( -0.523 0.534 -2.195) 2.319 5.401 ( -0.523 -0.534 2.195) 2.319 5.401 ( -0.523 0.562 2.198) 2.329 5.641 ( 1.931 -1.291 -1.729) 2.896 5.641 ( 1.931 1.128 -1.677) 2.795 5.641 ( 1.931 -1.128 1.677) 2.795 5.641 ( 1.931 1.291 1.729) 2.896 5.673 ( -0.391 -0.953 -2.202) 2.431 5.673 ( -0.391 0.680 -2.157) 2.295 5.673 ( -0.391 -0.680 2.157) 2.295 5.673 ( -0.391 0.953 2.202) 2.431 5.799 ( 2.221 -2.169 -1.260) 3.350 5.799 ( 2.221 -1.860 1.018) 3.071 5.799 ( 2.221 1.860 -1.018) 3.071 5.799 ( 2.221 2.169 1.260) 3.350 5.864 ( -1.700 -1.919 -1.696) 3.074 5.864 ( -1.700 0.858 -1.251) 2.278 5.864 ( -1.700 -0.858 1.251) 2.278 5.864 ( -1.700 1.919 1.696) 3.074 6.180 ( 3.402 -5.207 -2.994) 6.903 6.180 ( 3.402 -4.502 2.434) 6.145 6.180 ( 3.402 4.502 -2.434) 6.145 6.180 ( 3.402 5.207 2.994) 6.903 6.235 ( -1.118 -4.886 -4.545) 6.766 6.235 ( -1.118 2.989 -3.744) 4.919 6.235 ( -1.118 -2.989 3.744) 4.919 6.235 ( -1.118 4.886 4.545) 6.766 6.730 ( 3.347 -2.037 -3.314) 5.132 6.730 ( 3.347 1.561 -3.197) 4.885 6.730 ( 3.347 -1.561 3.197) 4.885 6.730 ( 3.347 2.037 3.314) 5.132 6.810 ( 0.377 -3.499 -2.884) 4.550 6.810 ( 0.377 -1.862 -2.102) 2.833 6.810 ( 0.377 1.862 2.102) 2.833 6.810 ( 0.377 3.499 2.884) 4.550 7.008 ( 5.126 -5.056 -1.588) 7.373 7.008 ( 5.126 -4.477 -0.269) 6.812 7.008 ( 5.126 4.477 0.269) 6.812 7.008 ( 5.126 5.056 1.588) 7.373 7.107 ( -2.601 -4.806 -4.093) 6.827 7.107 ( -2.601 4.770 -4.075) 6.791 7.107 ( -2.601 -4.770 4.075) 6.791 7.107 ( -2.601 4.806 4.093) 6.827 7.432 ( 2.574 -6.658 -3.352) 7.886 7.432 ( 2.574 -4.367 -0.082) 5.069 7.432 ( 2.574 4.367 0.082) 5.069 7.432 ( 2.574 6.658 3.352) 7.886 7.503 ( -3.428 -4.213 -4.281) 6.916 7.503 ( -3.428 0.388 -3.241) 4.734 7.503 ( -3.428 -0.388 3.241) 4.734 7.503 ( -3.428 4.213 4.281) 6.916 7.818 ( -0.296 -2.710 -3.791) 4.669 7.818 ( -0.296 2.707 -3.790) 4.667 7.818 ( -0.296 -2.707 3.790) 4.667 7.818 ( -0.296 2.710 3.791) 4.669 7.951 ( -10.954 -2.239 -1.429) 11.271 7.951 ( -10.954 -0.647 -0.012) 10.973 7.951 ( -10.954 0.647 0.012) 10.973 7.951 ( -10.954 2.239 1.429) 11.271 11.736 ( 3.109 -0.349 -3.019) 4.348 11.736 ( 3.109 0.244 -3.014) 4.337 11.736 ( 3.109 -0.244 3.014) 4.337 11.736 ( 3.109 0.349 3.019) 4.348 11.811 ( -3.389 -1.167 -3.582) 5.068 11.811 ( -3.389 0.881 -3.546) 4.983 11.811 ( -3.389 -0.881 3.546) 4.983 11.811 ( -3.389 1.167 3.582) 5.068 12.415 ( 3.414 -1.419 -3.392) 5.017 12.415 ( 3.414 1.282 -3.367) 4.964 12.415 ( 3.414 -1.282 3.367) 4.964 12.415 ( 3.414 1.419 3.392) 5.017 12.487 ( -1.088 -1.307 -1.853) 2.516 12.487 ( -1.088 0.913 -1.746) 2.251 12.487 ( -1.088 -0.913 1.746) 2.251 12.487 ( -1.088 1.307 1.853) 2.516 12.696 ( -1.124 -2.381 -3.118) 4.081 12.696 ( -1.124 0.674 -2.721) 3.020 12.696 ( -1.124 -0.674 2.721) 3.020 12.696 ( -1.124 2.381 3.118) 4.081 12.866 ( -6.649 -2.068 -3.329) 7.718 12.866 ( -6.649 0.671 -3.063) 7.351 12.866 ( -6.649 -0.671 3.063) 7.351 12.866 ( -6.649 2.068 3.330) 7.718 14.182 ( 0.202 -0.219 -0.407) 0.505 14.182 ( 0.202 0.129 -0.390) 0.458 14.182 ( 0.202 -0.129 0.390) 0.458 14.182 ( 0.202 0.219 0.407) 0.505 14.339 ( 0.127 -0.465 -0.459) 0.665 14.339 ( 0.127 0.362 -0.416) 0.566 14.339 ( 0.127 -0.362 0.416) 0.566 14.339 ( 0.127 0.465 0.459) 0.665 =================== 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 3/13440 10.0 4.946 17.055 20.746 0.000 0.000 -0.000 3/13440 20.0 1.435 4.070 5.586 0.000 0.000 -0.000 3/13440 30.0 0.882 2.167 2.942 0.000 0.000 -0.000 3/13440 40.0 0.653 1.468 1.962 0.000 0.000 -0.000 3/13440 50.0 0.521 1.104 1.458 0.000 0.000 -0.000 3/13440 60.0 0.435 0.882 1.155 0.000 0.000 -0.000 3/13440 70.0 0.375 0.733 0.954 0.000 0.000 -0.000 3/13440 80.0 0.330 0.627 0.812 0.000 0.000 -0.000 3/13440 90.0 0.296 0.548 0.707 0.000 0.000 -0.000 3/13440 100.0 0.270 0.486 0.627 0.000 0.000 -0.000 3/13440 110.0 0.248 0.438 0.563 0.000 0.000 -0.000 3/13440 120.0 0.231 0.398 0.511 0.000 0.000 -0.000 3/13440 130.0 0.216 0.365 0.468 0.000 0.000 -0.000 3/13440 140.0 0.203 0.337 0.432 0.000 0.000 -0.000 3/13440 150.0 0.191 0.314 0.402 0.000 0.000 -0.000 3/13440 160.0 0.181 0.293 0.375 0.000 0.000 -0.000 3/13440 170.0 0.172 0.275 0.352 0.000 0.000 -0.000 3/13440 180.0 0.164 0.259 0.331 0.000 0.000 -0.000 3/13440 190.0 0.157 0.245 0.313 0.000 0.000 -0.000 3/13440 200.0 0.150 0.232 0.297 0.000 0.000 -0.000 3/13440 210.0 0.144 0.221 0.283 0.000 0.000 -0.000 3/13440 220.0 0.139 0.211 0.269 0.000 0.000 -0.000 3/13440 230.0 0.133 0.201 0.257 0.000 0.000 -0.000 3/13440 240.0 0.128 0.193 0.246 0.000 0.000 -0.000 3/13440 250.0 0.124 0.185 0.236 0.000 0.000 -0.000 3/13440 260.0 0.120 0.178 0.227 0.000 0.000 -0.000 3/13440 270.0 0.116 0.171 0.219 0.000 0.000 -0.000 3/13440 280.0 0.112 0.165 0.211 0.000 0.000 -0.000 3/13440 290.0 0.109 0.159 0.203 0.000 0.000 -0.000 3/13440 300.0 0.105 0.154 0.196 0.000 0.000 -0.000 3/13440 310.0 0.102 0.149 0.190 0.000 0.000 -0.000 3/13440 320.0 0.099 0.144 0.184 0.000 0.000 -0.000 3/13440 330.0 0.097 0.140 0.178 0.000 0.000 -0.000 3/13440 340.0 0.094 0.135 0.173 0.000 0.000 -0.000 3/13440 350.0 0.092 0.131 0.168 0.000 0.000 -0.000 3/13440 360.0 0.089 0.128 0.163 0.000 0.000 -0.000 3/13440 370.0 0.087 0.124 0.159 0.000 0.000 -0.000 3/13440 380.0 0.085 0.121 0.155 0.000 0.000 -0.000 3/13440 390.0 0.083 0.118 0.151 0.000 0.000 -0.000 3/13440 400.0 0.081 0.115 0.147 0.000 0.000 -0.000 3/13440 410.0 0.079 0.112 0.143 0.000 0.000 -0.000 3/13440 420.0 0.077 0.109 0.140 0.000 0.000 -0.000 3/13440 430.0 0.076 0.107 0.137 0.000 0.000 -0.000 3/13440 440.0 0.074 0.104 0.133 0.000 0.000 -0.000 3/13440 450.0 0.072 0.102 0.130 0.000 0.000 -0.000 3/13440 460.0 0.071 0.100 0.128 0.000 0.000 -0.000 3/13440 470.0 0.069 0.098 0.125 0.000 0.000 -0.000 3/13440 480.0 0.068 0.096 0.122 0.000 0.000 -0.000 3/13440 490.0 0.067 0.094 0.120 0.000 0.000 -0.000 3/13440 500.0 0.065 0.092 0.117 0.000 0.000 -0.000 3/13440 510.0 0.064 0.090 0.115 0.000 0.000 -0.000 3/13440 520.0 0.063 0.088 0.113 0.000 0.000 -0.000 3/13440 530.0 0.062 0.087 0.111 0.000 0.000 -0.000 3/13440 540.0 0.061 0.085 0.109 0.000 0.000 -0.000 3/13440 550.0 0.060 0.083 0.107 0.000 0.000 -0.000 3/13440 560.0 0.059 0.082 0.105 0.000 0.000 -0.000 3/13440 570.0 0.058 0.080 0.103 0.000 0.000 -0.000 3/13440 580.0 0.057 0.079 0.101 0.000 0.000 -0.000 3/13440 590.0 0.056 0.078 0.099 0.000 0.000 -0.000 3/13440 600.0 0.055 0.076 0.098 0.000 0.000 -0.000 3/13440 610.0 0.054 0.075 0.096 0.000 0.000 -0.000 3/13440 620.0 0.053 0.074 0.095 0.000 0.000 -0.000 3/13440 630.0 0.052 0.073 0.093 0.000 0.000 -0.000 3/13440 640.0 0.052 0.072 0.092 0.000 0.000 -0.000 3/13440 650.0 0.051 0.071 0.090 0.000 0.000 -0.000 3/13440 660.0 0.050 0.069 0.089 0.000 0.000 -0.000 3/13440 670.0 0.049 0.068 0.088 0.000 0.000 -0.000 3/13440 680.0 0.049 0.067 0.086 0.000 0.000 -0.000 3/13440 690.0 0.048 0.066 0.085 0.000 0.000 -0.000 3/13440 700.0 0.047 0.066 0.084 0.000 0.000 -0.000 3/13440 710.0 0.047 0.065 0.083 0.000 0.000 -0.000 3/13440 720.0 0.046 0.064 0.081 0.000 0.000 -0.000 3/13440 730.0 0.045 0.063 0.080 0.000 0.000 -0.000 3/13440 740.0 0.045 0.062 0.079 0.000 0.000 -0.000 3/13440 750.0 0.044 0.061 0.078 0.000 0.000 -0.000 3/13440 760.0 0.044 0.060 0.077 0.000 0.000 -0.000 3/13440 770.0 0.043 0.060 0.076 0.000 0.000 -0.000 3/13440 780.0 0.043 0.059 0.075 0.000 0.000 -0.000 3/13440 790.0 0.042 0.058 0.074 0.000 0.000 -0.000 3/13440 800.0 0.041 0.057 0.073 0.000 0.000 -0.000 3/13440 810.0 0.041 0.057 0.072 0.000 0.000 -0.000 3/13440 820.0 0.041 0.056 0.071 0.000 0.000 -0.000 3/13440 830.0 0.040 0.055 0.071 0.000 0.000 -0.000 3/13440 840.0 0.040 0.055 0.070 0.000 0.000 -0.000 3/13440 850.0 0.039 0.054 0.069 0.000 0.000 -0.000 3/13440 860.0 0.039 0.053 0.068 0.000 0.000 -0.000 3/13440 870.0 0.038 0.053 0.067 0.000 0.000 -0.000 3/13440 880.0 0.038 0.052 0.067 0.000 0.000 -0.000 3/13440 890.0 0.037 0.052 0.066 0.000 0.000 -0.000 3/13440 900.0 0.037 0.051 0.065 0.000 0.000 -0.000 3/13440 910.0 0.037 0.050 0.064 0.000 0.000 -0.000 3/13440 920.0 0.036 0.050 0.064 0.000 0.000 -0.000 3/13440 930.0 0.036 0.049 0.063 0.000 0.000 -0.000 3/13440 940.0 0.035 0.049 0.062 0.000 0.000 -0.000 3/13440 950.0 0.035 0.048 0.062 0.000 0.000 -0.000 3/13440 960.0 0.035 0.048 0.061 0.000 0.000 -0.000 3/13440 970.0 0.034 0.047 0.060 0.000 0.000 -0.000 3/13440 980.0 0.034 0.047 0.060 0.000 0.000 -0.000 3/13440 990.0 0.034 0.046 0.059 0.000 0.000 -0.000 3/13440 1000.0 0.033 0.046 0.059 0.000 0.000 -0.000 3/13440 Thermal conductivity related properties were written into "kappa-m724.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:45:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|