# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/762ed417-bc71-4997-8bc7-84381863a855/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Ga2Te2Br7 / P2_1/c (14) / materials id 570186](https://mdr.nims.go.jp/datasets/9c035df5-bb8d-43cb-901e-f45a5c2e133f) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 18:50:04]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)Number of symmetry operations in supercell: 8------------------------------ primitive cell ------------------------------Lattice vectors: a 10.089852010016577 0.000000000000000 0.000000000000000 b 0.000000000000000 10.883945629999999 0.000000000000000 c -1.999251152545778 0.000000000000000 13.748756995955207Atomic positions (fractional): *1 Ga 0.59793246915095 0.68600410231697 0.18188011695428 69.723 *2 Ga 0.21674489958757 0.89259594849193 0.66059790911035 69.723 3 Ga 0.40206753084905 0.18600410231697 0.31811988304571 69.723 4 Ga 0.78325510041243 0.39259594849193 0.83940209088965 69.723 5 Ga 0.78325510041243 0.10740405150807 0.33940209088965 69.723 6 Ga 0.21674489958757 0.60740405150807 0.16059790911035 69.723 7 Ga 0.40206753084905 0.31399589768303 0.81811988304572 69.723 8 Ga 0.59793246915095 0.81399589768303 0.68188011695428 69.723 *9 Te 0.08588295232312 0.46447455818434 0.62896177363113 127.600 *10 Te 0.84578995954004 0.55925322626954 0.55203631084590 127.600 11 Te 0.91411704767688 0.53552544181566 0.37103822636887 127.600 12 Te 0.15421004045996 0.44074677373046 0.44796368915410 127.600 13 Te 0.84578995954004 0.94074677373046 0.05203631084590 127.600 14 Te 0.91411704767688 0.96447455818434 0.87103822636887 127.600 15 Te 0.15421004045996 0.05925322626954 0.94796368915410 127.600 16 Te 0.08588295232312 0.03552544181566 0.12896177363113 127.600 *17 Br 0.11187332224197 0.82499635310475 0.51316243581391 79.904 *18 Br 0.51423818260103 0.86778786578509 0.11441987788876 79.904 *19 Br 0.88475239798014 0.92759193559942 0.28877678306114 79.904 *20 Br 0.78814896142689 0.88096927229554 0.62224770327025 79.904 21 Br 0.48576181739897 0.36778786578509 0.38558012211124 79.904 22 Br 0.11524760201986 0.07240806440058 0.71122321693886 79.904 23 Br 0.21185103857311 0.38096927229554 0.87775229672975 79.904 *24 Br 0.56557427568223 0.47537961898665 0.87099714294481 79.904 25 Br 0.43442572431777 0.97537961898665 0.62900285705519 79.904 *26 Br 0.24537854530980 0.75082642175942 0.78399547591238 79.904 27 Br 0.11524760201986 0.42759193559942 0.21122321693886 79.904 28 Br 0.75462145469020 0.24917357824058 0.21600452408762 79.904 *29 Br 0.37328778797627 0.32047969739070 0.64779608838168 79.904 30 Br 0.24537854530980 0.74917357824058 0.28399547591238 79.904 31 Br 0.75462145469020 0.25082642175942 0.71600452408762 79.904 32 Br 0.62671221202373 0.67952030260930 0.35220391161832 79.904 33 Br 0.62671221202373 0.82047969739070 0.85220391161832 79.904 34 Br 0.88475239798014 0.57240806440058 0.78877678306114 79.904 35 Br 0.88812667775803 0.32499635310475 0.98683756418609 79.904 36 Br 0.11187332224197 0.67500364689525 0.01316243581391 79.904 37 Br 0.37328778797627 0.17952030260930 0.14779608838168 79.904 38 Br 0.51423818260103 0.63221213421491 0.61441987788876 79.904 39 Br 0.88812667775803 0.17500364689525 0.48683756418609 79.904 40 Br 0.56557427568223 0.02462038101335 0.37099714294481 79.904 41 Br 0.78814896142689 0.61903072770446 0.12224770327025 79.904 42 Br 0.21185103857311 0.11903072770446 0.37775229672976 79.904 43 Br 0.48576181739897 0.13221213421491 0.88558012211124 79.904 44 Br 0.43442572431777 0.52462038101335 0.12900285705519 79.904-------------------------------- unit cell ---------------------------------Lattice vectors: a 10.089852010016577 0.000000000000000 0.000000000000000 b 0.000000000000000 10.883945629999999 0.000000000000000 c -1.999251152545778 0.000000000000000 13.748756995955207Atomic positions (fractional): *1 Ga 0.59793246915095 0.68600410231697 0.18188011695428 69.723 > 1 *2 Ga 0.21674489958757 0.89259594849193 0.66059790911035 69.723 > 2 3 Ga 0.40206753084905 0.18600410231697 0.31811988304571 69.723 > 3 4 Ga 0.78325510041243 0.39259594849193 0.83940209088965 69.723 > 4 5 Ga 0.78325510041243 0.10740405150807 0.33940209088965 69.723 > 5 6 Ga 0.21674489958757 0.60740405150807 0.16059790911035 69.723 > 6 7 Ga 0.40206753084905 0.31399589768303 0.81811988304572 69.723 > 7 8 Ga 0.59793246915095 0.81399589768303 0.68188011695428 69.723 > 8 *9 Te 0.08588295232312 0.46447455818434 0.62896177363113 127.600 > 9 *10 Te 0.84578995954004 0.55925322626954 0.55203631084590 127.600 > 10 11 Te 0.91411704767688 0.53552544181566 0.37103822636887 127.600 > 11 12 Te 0.15421004045996 0.44074677373046 0.44796368915410 127.600 > 12 13 Te 0.84578995954004 0.94074677373046 0.05203631084590 127.600 > 13 14 Te 0.91411704767688 0.96447455818434 0.87103822636887 127.600 > 14 15 Te 0.15421004045996 0.05925322626954 0.94796368915410 127.600 > 15 16 Te 0.08588295232312 0.03552544181566 0.12896177363113 127.600 > 16 *17 Br 0.11187332224197 0.82499635310475 0.51316243581391 79.904 > 17 *18 Br 0.51423818260103 0.86778786578509 0.11441987788876 79.904 > 18 *19 Br 0.88475239798014 0.92759193559942 0.28877678306114 79.904 > 19 *20 Br 0.78814896142689 0.88096927229554 0.62224770327025 79.904 > 20 21 Br 0.48576181739897 0.36778786578509 0.38558012211124 79.904 > 21 22 Br 0.11524760201986 0.07240806440058 0.71122321693886 79.904 > 22 23 Br 0.21185103857311 0.38096927229554 0.87775229672975 79.904 > 23 *24 Br 0.56557427568223 0.47537961898665 0.87099714294481 79.904 > 24 25 Br 0.43442572431777 0.97537961898665 0.62900285705519 79.904 > 25 *26 Br 0.24537854530980 0.75082642175942 0.78399547591238 79.904 > 26 27 Br 0.11524760201986 0.42759193559942 0.21122321693886 79.904 > 27 28 Br 0.75462145469020 0.24917357824058 0.21600452408762 79.904 > 28 *29 Br 0.37328778797627 0.32047969739070 0.64779608838168 79.904 > 29 30 Br 0.24537854530980 0.74917357824058 0.28399547591238 79.904 > 30 31 Br 0.75462145469020 0.25082642175942 0.71600452408762 79.904 > 31 32 Br 0.62671221202373 0.67952030260930 0.35220391161832 79.904 > 32 33 Br 0.62671221202373 0.82047969739070 0.85220391161832 79.904 > 33 34 Br 0.88475239798014 0.57240806440058 0.78877678306114 79.904 > 34 35 Br 0.88812667775803 0.32499635310475 0.98683756418609 79.904 > 35 36 Br 0.11187332224197 0.67500364689525 0.01316243581391 79.904 > 36 37 Br 0.37328778797627 0.17952030260930 0.14779608838168 79.904 > 37 38 Br 0.51423818260103 0.63221213421491 0.61441987788876 79.904 > 38 39 Br 0.88812667775803 0.17500364689525 0.48683756418609 79.904 > 39 40 Br 0.56557427568223 0.02462038101335 0.37099714294481 79.904 > 40 41 Br 0.78814896142689 0.61903072770446 0.12224770327025 79.904 > 41 42 Br 0.21185103857311 0.11903072770446 0.37775229672976 79.904 > 42 43 Br 0.48576181739897 0.13221213421491 0.88558012211124 79.904 > 43 44 Br 0.43442572431777 0.52462038101335 0.12900285705519 79.904 > 44-------------------------------- super cell --------------------------------Lattice vectors: a 20.179704020033153 0.000000000000000 0.000000000000000 b 0.000000000000000 10.883945629999999 0.000000000000000 c -1.999251152545778 0.000000000000000 13.748756995955207Atomic positions (fractional): *1 Ga 0.29896623457547 0.68600410231697 0.18188011695428 69.723 > 1 2 Ga 0.79896623457547 0.68600410231697 0.18188011695428 69.723 > 1 *3 Ga 0.10837244979379 0.89259594849193 0.66059790911035 69.723 > 2 4 Ga 0.60837244979379 0.89259594849193 0.66059790911035 69.723 > 2 5 Ga 0.20103376542453 0.18600410231697 0.31811988304571 69.723 > 3 6 Ga 0.70103376542453 0.18600410231697 0.31811988304571 69.723 > 3 7 Ga 0.39162755020621 0.39259594849193 0.83940209088965 69.723 > 4 8 Ga 0.89162755020621 0.39259594849193 0.83940209088965 69.723 > 4 9 Ga 0.39162755020621 0.10740405150807 0.33940209088965 69.723 > 5 10 Ga 0.89162755020621 0.10740405150807 0.33940209088965 69.723 > 5 11 Ga 0.10837244979379 0.60740405150807 0.16059790911035 69.723 > 6 12 Ga 0.60837244979379 0.60740405150807 0.16059790911035 69.723 > 6 13 Ga 0.20103376542453 0.31399589768303 0.81811988304572 69.723 > 7 14 Ga 0.70103376542453 0.31399589768303 0.81811988304572 69.723 > 7 15 Ga 0.29896623457547 0.81399589768303 0.68188011695428 69.723 > 8 16 Ga 0.79896623457547 0.81399589768303 0.68188011695428 69.723 > 8 *17 Te 0.04294147616156 0.46447455818434 0.62896177363113 127.600 > 9 18 Te 0.54294147616156 0.46447455818434 0.62896177363113 127.600 > 9 *19 Te 0.42289497977002 0.55925322626954 0.55203631084590 127.600 > 10 20 Te 0.92289497977002 0.55925322626954 0.55203631084590 127.600 > 10 21 Te 0.45705852383844 0.53552544181566 0.37103822636887 127.600 > 11 22 Te 0.95705852383844 0.53552544181566 0.37103822636887 127.600 > 11 23 Te 0.07710502022998 0.44074677373046 0.44796368915410 127.600 > 12 24 Te 0.57710502022998 0.44074677373046 0.44796368915410 127.600 > 12 25 Te 0.42289497977002 0.94074677373046 0.05203631084590 127.600 > 13 26 Te 0.92289497977002 0.94074677373046 0.05203631084590 127.600 > 13 27 Te 0.45705852383844 0.96447455818434 0.87103822636887 127.600 > 14 28 Te 0.95705852383844 0.96447455818434 0.87103822636887 127.600 > 14 29 Te 0.07710502022998 0.05925322626954 0.94796368915410 127.600 > 15 30 Te 0.57710502022998 0.05925322626954 0.94796368915410 127.600 > 15 31 Te 0.04294147616156 0.03552544181566 0.12896177363113 127.600 > 16 32 Te 0.54294147616156 0.03552544181566 0.12896177363113 127.600 > 16 *33 Br 0.05593666112098 0.82499635310475 0.51316243581391 79.904 > 17 34 Br 0.55593666112098 0.82499635310475 0.51316243581391 79.904 > 17 *35 Br 0.25711909130051 0.86778786578509 0.11441987788876 79.904 > 18 36 Br 0.75711909130051 0.86778786578509 0.11441987788876 79.904 > 18 *37 Br 0.44237619899007 0.92759193559942 0.28877678306114 79.904 > 19 38 Br 0.94237619899007 0.92759193559942 0.28877678306114 79.904 > 19 *39 Br 0.39407448071344 0.88096927229554 0.62224770327025 79.904 > 20 40 Br 0.89407448071344 0.88096927229554 0.62224770327025 79.904 > 20 41 Br 0.24288090869949 0.36778786578509 0.38558012211124 79.904 > 21 42 Br 0.74288090869949 0.36778786578509 0.38558012211124 79.904 > 21 43 Br 0.05762380100993 0.07240806440058 0.71122321693886 79.904 > 22 44 Br 0.55762380100993 0.07240806440058 0.71122321693886 79.904 > 22 45 Br 0.10592551928655 0.38096927229554 0.87775229672975 79.904 > 23 46 Br 0.60592551928656 0.38096927229554 0.87775229672975 79.904 > 23 *47 Br 0.28278713784112 0.47537961898665 0.87099714294481 79.904 > 24 48 Br 0.78278713784112 0.47537961898665 0.87099714294481 79.904 > 24 49 Br 0.21721286215888 0.97537961898665 0.62900285705519 79.904 > 25 50 Br 0.71721286215888 0.97537961898665 0.62900285705519 79.904 > 25 *51 Br 0.12268927265490 0.75082642175942 0.78399547591238 79.904 > 26 52 Br 0.62268927265490 0.75082642175942 0.78399547591238 79.904 > 26 53 Br 0.05762380100993 0.42759193559942 0.21122321693886 79.904 > 27 54 Br 0.55762380100993 0.42759193559942 0.21122321693886 79.904 > 27 55 Br 0.37731072734510 0.24917357824058 0.21600452408762 79.904 > 28 56 Br 0.87731072734510 0.24917357824058 0.21600452408762 79.904 > 28 *57 Br 0.18664389398814 0.32047969739070 0.64779608838168 79.904 > 29 58 Br 0.68664389398814 0.32047969739070 0.64779608838168 79.904 > 29 59 Br 0.12268927265490 0.74917357824058 0.28399547591238 79.904 > 30 60 Br 0.62268927265490 0.74917357824058 0.28399547591238 79.904 > 30 61 Br 0.37731072734510 0.25082642175942 0.71600452408762 79.904 > 31 62 Br 0.87731072734510 0.25082642175942 0.71600452408762 79.904 > 31 63 Br 0.31335610601186 0.67952030260930 0.35220391161832 79.904 > 32 64 Br 0.81335610601186 0.67952030260930 0.35220391161832 79.904 > 32 65 Br 0.31335610601186 0.82047969739070 0.85220391161832 79.904 > 33 66 Br 0.81335610601186 0.82047969739070 0.85220391161832 79.904 > 33 67 Br 0.44237619899007 0.57240806440058 0.78877678306114 79.904 > 34 68 Br 0.94237619899007 0.57240806440058 0.78877678306114 79.904 > 34 69 Br 0.44406333887902 0.32499635310475 0.98683756418609 79.904 > 35 70 Br 0.94406333887902 0.32499635310475 0.98683756418609 79.904 > 35 71 Br 0.05593666112098 0.67500364689525 0.01316243581391 79.904 > 36 72 Br 0.55593666112098 0.67500364689525 0.01316243581391 79.904 > 36 73 Br 0.18664389398814 0.17952030260930 0.14779608838168 79.904 > 37 74 Br 0.68664389398814 0.17952030260930 0.14779608838168 79.904 > 37 75 Br 0.25711909130051 0.63221213421491 0.61441987788876 79.904 > 38 76 Br 0.75711909130051 0.63221213421491 0.61441987788876 79.904 > 38 77 Br 0.44406333887902 0.17500364689525 0.48683756418609 79.904 > 39 78 Br 0.94406333887902 0.17500364689525 0.48683756418609 79.904 > 39 79 Br 0.28278713784112 0.02462038101335 0.37099714294481 79.904 > 40 80 Br 0.78278713784112 0.02462038101335 0.37099714294481 79.904 > 40 81 Br 0.39407448071344 0.61903072770446 0.12224770327025 79.904 > 41 82 Br 0.89407448071344 0.61903072770446 0.12224770327025 79.904 > 41 83 Br 0.10592551928655 0.11903072770446 0.37775229672976 79.904 > 42 84 Br 0.60592551928656 0.11903072770446 0.37775229672976 79.904 > 42 85 Br 0.24288090869949 0.13221213421491 0.88558012211124 79.904 > 43 86 Br 0.74288090869949 0.13221213421491 0.88558012211124 79.904 > 43 87 Br 0.21721286215888 0.52462038101335 0.12900285705519 79.904 > 44 88 Br 0.71721286215888 0.52462038101335 0.12900285705519 79.904 > 44----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.5378394 0.0000000 -0.0869608 0.0000000 3.8621695 0.0000000 -0.0869581 0.0000000 4.8490840-------------------------- Born effective charges -------------------------- 1 Ga 2.9323591 0.6517777 0.7631915 0.2525057 2.2511984 -0.6584923 -0.0077954 -0.3440523 2.6539650 2 Ga 2.9233318 -0.2067881 -0.2585735 -0.1599854 2.2258949 0.0777397 -0.1892033 0.9992584 2.4243442 3 Ga 2.9323591 -0.6517777 0.7631915 -0.2525057 2.2511984 0.6584923 -0.0077954 0.3440523 2.6539650 4 Ga 2.9233318 0.2067881 -0.2585735 0.1599854 2.2258949 -0.0777397 -0.1892033 -0.9992584 2.4243442 5 Ga 2.9233318 -0.2067881 -0.2585735 -0.1599854 2.2258949 0.0777397 -0.1892033 0.9992584 2.4243442 6 Ga 2.9233318 0.2067881 -0.2585735 0.1599854 2.2258949 -0.0777397 -0.1892033 -0.9992584 2.4243442 7 Ga 2.9323591 0.6517777 0.7631915 0.2525057 2.2511984 -0.6584923 -0.0077954 -0.3440523 2.6539650 8 Ga 2.9323591 -0.6517777 0.7631915 -0.2525057 2.2511984 0.6584923 -0.0077954 0.3440523 2.6539650 9 Te 1.4769753 -0.5120755 0.1798668 -0.5406574 0.8366871 -0.2465373 0.4439336 -0.1133422 1.2093410 10 Te 0.6085719 -0.2608532 -0.5518207 -0.1145101 0.8105900 0.1140597 -0.3212661 0.3029250 1.5994763 11 Te 1.4769753 -0.5120755 0.1798668 -0.5406574 0.8366871 -0.2465373 0.4439336 -0.1133422 1.2093410 12 Te 0.6085719 -0.2608532 -0.5518207 -0.1145101 0.8105900 0.1140597 -0.3212661 0.3029250 1.5994763 13 Te 0.6085719 0.2608532 -0.5518207 0.1145101 0.8105900 -0.1140597 -0.3212661 -0.3029250 1.5994763 14 Te 1.4769753 0.5120755 0.1798668 0.5406574 0.8366871 0.2465373 0.4439336 0.1133422 1.2093410 15 Te 0.6085719 0.2608532 -0.5518207 0.1145101 0.8105900 -0.1140597 -0.3212661 -0.3029250 1.5994763 16 Te 1.4769753 0.5120755 0.1798668 0.5406574 0.8366871 0.2465373 0.4439336 0.1133422 1.2093410 17 Br -0.6594574 -0.1246611 -0.1873676 -0.1755392 -0.6170478 -0.2795224 -0.3153563 -0.5280464 -1.3594873 18 Br -0.9577809 -0.0450219 -0.0599245 0.0093206 -1.1966684 0.5239783 0.0088135 0.5806015 -0.7689634 19 Br -1.0174515 0.5341175 0.7465830 0.3473786 -1.0445874 -0.3005076 0.7942058 -0.5252410 -1.6497293 20 Br -1.3923217 0.0834737 0.1987393 0.0285968 -0.8572032 -0.3249758 0.2259502 -0.3425078 -1.0064713 21 Br -0.9577809 0.0450219 -0.0599245 -0.0093206 -1.1966684 -0.5239783 0.0088135 -0.5806015 -0.7689634 22 Br -1.0174515 0.5341175 0.7465830 0.3473786 -1.0445874 -0.3005076 0.7942058 -0.5252410 -1.6497293 23 Br -1.3923217 -0.0834737 0.1987393 -0.0285968 -0.8572032 0.3249758 0.2259502 0.3425078 -1.0064713 24 Br -2.1665396 -0.3674779 -0.1702515 -0.2028717 -0.6918420 -0.1842913 -0.0349866 -0.1331447 -0.3735150 25 Br -2.1665396 0.3674779 -0.1702515 0.2028717 -0.6918420 0.1842913 -0.0349866 0.1331447 -0.3735150 26 Br -0.6823221 0.0080359 0.0212054 -0.0323347 -1.0253341 0.3126472 -0.0630577 -0.0276246 -0.9459211 27 Br -1.0174515 -0.5341175 0.7465830 -0.3473786 -1.0445874 0.3005076 0.7942058 0.5252410 -1.6497293 28 Br -0.6823221 0.0080359 0.0212054 -0.0323347 -1.0253341 0.3126472 -0.0630577 -0.0276246 -0.9459211 29 Br -1.0653651 0.3409945 -0.6816481 0.3542902 -0.6916876 0.5575352 -0.5412378 0.4454626 -1.7830390 30 Br -0.6823221 -0.0080359 0.0212054 0.0323347 -1.0253341 -0.3126472 -0.0630577 0.0276246 -0.9459211 31 Br -0.6823221 -0.0080359 0.0212054 0.0323347 -1.0253341 -0.3126472 -0.0630577 0.0276246 -0.9459211 32 Br -1.0653651 0.3409945 -0.6816481 0.3542902 -0.6916876 0.5575352 -0.5412378 0.4454626 -1.7830390 33 Br -1.0653651 -0.3409945 -0.6816481 -0.3542902 -0.6916876 -0.5575352 -0.5412378 -0.4454626 -1.7830390 34 Br -1.0174515 -0.5341175 0.7465830 -0.3473786 -1.0445874 0.3005076 0.7942058 0.5252410 -1.6497293 35 Br -0.6594574 0.1246611 -0.1873676 0.1755392 -0.6170478 0.2795224 -0.3153563 0.5280464 -1.3594873 36 Br -0.6594574 0.1246611 -0.1873676 0.1755392 -0.6170478 0.2795224 -0.3153563 0.5280464 -1.3594873 37 Br -1.0653651 -0.3409945 -0.6816481 -0.3542902 -0.6916876 -0.5575352 -0.5412378 -0.4454626 -1.7830390 38 Br -0.9577809 0.0450219 -0.0599245 -0.0093206 -1.1966684 -0.5239783 0.0088135 -0.5806015 -0.7689634 39 Br -0.6594574 -0.1246611 -0.1873676 -0.1755392 -0.6170478 -0.2795224 -0.3153563 -0.5280464 -1.3594873 40 Br -2.1665396 0.3674779 -0.1702515 0.2028717 -0.6918420 0.1842913 -0.0349866 0.1331447 -0.3735150 41 Br -1.3923217 -0.0834737 0.1987393 -0.0285968 -0.8572032 0.3249758 0.2259502 0.3425078 -1.0064713 42 Br -1.3923217 0.0834737 0.1987393 0.0285968 -0.8572032 -0.3249758 0.2259502 -0.3425078 -1.0064713 43 Br -0.9577809 -0.0450219 -0.0599245 0.0093206 -1.1966684 0.5239783 0.0088135 0.5806015 -0.7689634 44 Br -2.1665396 -0.3674779 -0.1702515 -0.2028717 -0.6918420 -0.1842913 -0.0349866 -0.1331447 -0.3735150----------------------------------------------------------------------------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: 264/264Permutation basis: 17556/17556Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 4488Number of blocks in projector: 4488Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 968Use submatrix version of eigh solver.(1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found.(1) 478 eigenvectors found.(1) Block: 968 / 968(1) 447 eigenvectors found.(1) Complementary block size: 43(1) Compute compressed projector.(1) Use standard solver.(1) 21 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 968Use submatrix version of eigh solver.(1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found.(1) 478 eigenvectors found.(1) Block: 968 / 968(1) 447 eigenvectors found.(1) Complementary block size: 43(1) Compute compressed projector.(1) Use standard solver.(1) 21 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 968Use submatrix version of eigh solver.(1) Block: 500 / 968 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found.(1) 479 eigenvectors found.(1) Block: 968 / 968(1) 453 eigenvectors found.(1) Complementary block size: 36(1) Compute compressed projector.(1) Use standard solver.(1) 15 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 528Use submatrix version of eigh solver.(1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found.(1) 517 eigenvectors found.(1) Complementary block size: 10(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 5 / 6 ---Block_size: 528Use submatrix version of eigh solver.(1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found.(1) 517 eigenvectors found.(1) Complementary block size: 10(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 6 / 6 ---Block_size: 528Use submatrix version of eigh solver.(1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found.(1) 517 eigenvectors found.(1) Complementary block size: 10(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.Tree of FC basis block matrices:- (4488, 4390), data: False|-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True|-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True|-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True|-- (968, 947), data: False |-- (968, 15), data: (968, 36) @ (36, 15) |-- (468, 453), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True|-- (968, 946), data: False |-- (968, 21), data: (968, 43) @ (43, 21) |-- (468, 447), data: True |-- (500, 478), data: False |-- (500, 21), data: (500, 43) @ (43, 21) |-- (250, 229), data: True |-- (250, 228), data: True|-- (968, 946), data: False |-- (968, 21), data: (968, 43) @ (43, 21) |-- (468, 447), data: True |-- (500, 478), data: False |-- (500, 21), data: (500, 43) @ (43, 21) |-- (250, 229), data: True |-- (250, 228), data: True-----Solver_atoms: 1 -- 88 / 88Time (Solver_compr_matrix_reshape): 0.002Solver_block: 100 / 1360 - Time: 0.879Solver_block: 200 / 1360 - Time: 0.758Solver_block: 300 / 1360 - Time: 0.760Solver_block: 400 / 1360 - Time: 0.761Solver_block: 500 / 1360 - Time: 0.765Solver_block: 600 / 1360 - Time: 0.757Solver_block: 700 / 1360 - Time: 0.759Solver_block: 800 / 1360 - Time: 0.762Solver_block: 900 / 1360 - Time: 0.761Solver_block: 1000 / 1360 - Time: 0.760Solver_block: 1100 / 1360 - Time: 0.755Solver_block: 1200 / 1360 - Time: 0.762Solver_block: 1300 / 1360 - Time: 0.763Solver_block: 1360 / 1360 - Time: 0.515Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.805--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 264/264Permutation basis: 17556/17556Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 4488Number of blocks in projector: 4488Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 968Use submatrix version of eigh solver.(1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found.(1) 478 eigenvectors found.(1) Block: 968 / 968(1) 447 eigenvectors found.(1) Complementary block size: 43(1) Compute compressed projector.(1) Use standard solver.(1) 21 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 968Use submatrix version of eigh solver.(1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found.(1) 478 eigenvectors found.(1) Block: 968 / 968(1) 447 eigenvectors found.(1) Complementary block size: 43(1) Compute compressed projector.(1) Use standard solver.(1) 21 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 968Use submatrix version of eigh solver.(1) Block: 500 / 968 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found.(1) 479 eigenvectors found.(1) Block: 968 / 968(1) 453 eigenvectors found.(1) Complementary block size: 36(1) Compute compressed projector.(1) Use standard solver.(1) 15 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 528Use submatrix version of eigh solver.(1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found.(1) 517 eigenvectors found.(1) Complementary block size: 10(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 5 / 6 ---Block_size: 528Use submatrix version of eigh solver.(1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found.(1) 517 eigenvectors found.(1) Complementary block size: 10(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 6 / 6 ---Block_size: 528Use submatrix version of eigh solver.(1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found.(1) 517 eigenvectors found.(1) Complementary block size: 10(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.Tree of FC basis block matrices:- (4488, 4390), data: False|-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True|-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True|-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True|-- (968, 947), data: False |-- (968, 15), data: (968, 36) @ (36, 15) |-- (468, 453), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True|-- (968, 946), data: False |-- (968, 21), data: (968, 43) @ (43, 21) |-- (468, 447), data: True |-- (500, 478), data: False |-- (500, 21), data: (500, 43) @ (43, 21) |-- (250, 229), data: True |-- (250, 228), data: True|-- (968, 946), data: False |-- (968, 21), data: (968, 43) @ (43, 21) |-- (468, 447), data: True |-- (500, 478), data: False |-- (500, 21), data: (500, 43) @ (43, 21) |-- (250, 229), data: True |-- (250, 228), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 18:51:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 18:51:00]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 1 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 10.089852010016577 0.000000000000000 0.000000000000000 b 0.000000000000000 10.883945629999999 0.000000000000000 c -1.999251152545778 0.000000000000000 13.748756995955207Atomic positions (fractional): 1 Ga 0.59793246915095 0.68600410231697 0.18188011695428 69.723 2 Ga 0.21674489958757 0.89259594849193 0.66059790911035 69.723 3 Ga 0.40206753084905 0.18600410231697 0.31811988304571 69.723 4 Ga 0.78325510041243 0.39259594849193 0.83940209088965 69.723 5 Ga 0.78325510041243 0.10740405150807 0.33940209088965 69.723 6 Ga 0.21674489958757 0.60740405150807 0.16059790911035 69.723 7 Ga 0.40206753084905 0.31399589768303 0.81811988304572 69.723 8 Ga 0.59793246915095 0.81399589768303 0.68188011695428 69.723 9 Te 0.08588295232312 0.46447455818434 0.62896177363113 127.600 10 Te 0.84578995954004 0.55925322626954 0.55203631084590 127.600 11 Te 0.91411704767688 0.53552544181566 0.37103822636887 127.600 12 Te 0.15421004045996 0.44074677373046 0.44796368915410 127.600 13 Te 0.84578995954004 0.94074677373046 0.05203631084590 127.600 14 Te 0.91411704767688 0.96447455818434 0.87103822636887 127.600 15 Te 0.15421004045996 0.05925322626954 0.94796368915410 127.600 16 Te 0.08588295232312 0.03552544181566 0.12896177363113 127.600 17 Br 0.11187332224197 0.82499635310475 0.51316243581391 79.904 18 Br 0.51423818260103 0.86778786578509 0.11441987788876 79.904 19 Br 0.88475239798014 0.92759193559942 0.28877678306114 79.904 20 Br 0.78814896142689 0.88096927229554 0.62224770327025 79.904 21 Br 0.48576181739897 0.36778786578509 0.38558012211124 79.904 22 Br 0.11524760201986 0.07240806440058 0.71122321693886 79.904 23 Br 0.21185103857311 0.38096927229554 0.87775229672975 79.904 24 Br 0.56557427568223 0.47537961898665 0.87099714294481 79.904 25 Br 0.43442572431777 0.97537961898665 0.62900285705519 79.904 26 Br 0.24537854530980 0.75082642175942 0.78399547591238 79.904 27 Br 0.11524760201986 0.42759193559942 0.21122321693886 79.904 28 Br 0.75462145469020 0.24917357824058 0.21600452408762 79.904 29 Br 0.37328778797627 0.32047969739070 0.64779608838168 79.904 30 Br 0.24537854530980 0.74917357824058 0.28399547591238 79.904 31 Br 0.75462145469020 0.25082642175942 0.71600452408762 79.904 32 Br 0.62671221202373 0.67952030260930 0.35220391161832 79.904 33 Br 0.62671221202373 0.82047969739070 0.85220391161832 79.904 34 Br 0.88475239798014 0.57240806440058 0.78877678306114 79.904 35 Br 0.88812667775803 0.32499635310475 0.98683756418609 79.904 36 Br 0.11187332224197 0.67500364689525 0.01316243581391 79.904 37 Br 0.37328778797627 0.17952030260930 0.14779608838168 79.904 38 Br 0.51423818260103 0.63221213421491 0.61441987788876 79.904 39 Br 0.88812667775803 0.17500364689525 0.48683756418609 79.904 40 Br 0.56557427568223 0.02462038101335 0.37099714294481 79.904 41 Br 0.78814896142689 0.61903072770446 0.12224770327025 79.904 42 Br 0.21185103857311 0.11903072770446 0.37775229672976 79.904 43 Br 0.48576181739897 0.13221213421491 0.88558012211124 79.904 44 Br 0.43442572431777 0.52462038101335 0.12900285705519 79.904-------------------------------- supercell ---------------------------------Lattice vectors: a 20.179704020033153 0.000000000000000 0.000000000000000 b 0.000000000000000 10.883945629999999 0.000000000000000 c -1.999251152545778 0.000000000000000 13.748756995955207Atomic positions (fractional): 1 Ga 0.29896623457547 0.68600410231697 0.18188011695428 69.723 > 1 2 Ga 0.79896623457547 0.68600410231697 0.18188011695428 69.723 > 1 3 Ga 0.10837244979379 0.89259594849193 0.66059790911035 69.723 > 3 4 Ga 0.60837244979379 0.89259594849193 0.66059790911035 69.723 > 3 5 Ga 0.20103376542453 0.18600410231697 0.31811988304571 69.723 > 5 6 Ga 0.70103376542453 0.18600410231697 0.31811988304571 69.723 > 5 7 Ga 0.39162755020621 0.39259594849193 0.83940209088965 69.723 > 7 8 Ga 0.89162755020621 0.39259594849193 0.83940209088965 69.723 > 7 9 Ga 0.39162755020621 0.10740405150807 0.33940209088965 69.723 > 9 10 Ga 0.89162755020621 0.10740405150807 0.33940209088965 69.723 > 9 11 Ga 0.10837244979379 0.60740405150807 0.16059790911035 69.723 > 11 12 Ga 0.60837244979379 0.60740405150807 0.16059790911035 69.723 > 11 13 Ga 0.20103376542453 0.31399589768303 0.81811988304572 69.723 > 13 14 Ga 0.70103376542453 0.31399589768303 0.81811988304572 69.723 > 13 15 Ga 0.29896623457547 0.81399589768303 0.68188011695428 69.723 > 15 16 Ga 0.79896623457547 0.81399589768303 0.68188011695428 69.723 > 15 17 Te 0.04294147616156 0.46447455818434 0.62896177363113 127.600 > 17 18 Te 0.54294147616156 0.46447455818434 0.62896177363113 127.600 > 17 19 Te 0.42289497977002 0.55925322626954 0.55203631084590 127.600 > 19 20 Te 0.92289497977002 0.55925322626954 0.55203631084590 127.600 > 19 21 Te 0.45705852383844 0.53552544181566 0.37103822636887 127.600 > 21 22 Te 0.95705852383844 0.53552544181566 0.37103822636887 127.600 > 21 23 Te 0.07710502022998 0.44074677373046 0.44796368915410 127.600 > 23 24 Te 0.57710502022998 0.44074677373046 0.44796368915410 127.600 > 23 25 Te 0.42289497977002 0.94074677373046 0.05203631084590 127.600 > 25 26 Te 0.92289497977002 0.94074677373046 0.05203631084590 127.600 > 25 27 Te 0.45705852383844 0.96447455818434 0.87103822636887 127.600 > 27 28 Te 0.95705852383844 0.96447455818434 0.87103822636887 127.600 > 27 29 Te 0.07710502022998 0.05925322626954 0.94796368915410 127.600 > 29 30 Te 0.57710502022998 0.05925322626954 0.94796368915410 127.600 > 29 31 Te 0.04294147616156 0.03552544181566 0.12896177363113 127.600 > 31 32 Te 0.54294147616156 0.03552544181566 0.12896177363113 127.600 > 31 33 Br 0.05593666112098 0.82499635310475 0.51316243581391 79.904 > 33 34 Br 0.55593666112098 0.82499635310475 0.51316243581391 79.904 > 33 35 Br 0.25711909130051 0.86778786578509 0.11441987788876 79.904 > 35 36 Br 0.75711909130051 0.86778786578509 0.11441987788876 79.904 > 35 37 Br 0.44237619899007 0.92759193559942 0.28877678306114 79.904 > 37 38 Br 0.94237619899007 0.92759193559942 0.28877678306114 79.904 > 37 39 Br 0.39407448071344 0.88096927229554 0.62224770327025 79.904 > 39 40 Br 0.89407448071344 0.88096927229554 0.62224770327025 79.904 > 39 41 Br 0.24288090869949 0.36778786578509 0.38558012211124 79.904 > 41 42 Br 0.74288090869949 0.36778786578509 0.38558012211124 79.904 > 41 43 Br 0.05762380100993 0.07240806440058 0.71122321693886 79.904 > 43 44 Br 0.55762380100993 0.07240806440058 0.71122321693886 79.904 > 43 45 Br 0.10592551928655 0.38096927229554 0.87775229672975 79.904 > 45 46 Br 0.60592551928656 0.38096927229554 0.87775229672975 79.904 > 45 47 Br 0.28278713784112 0.47537961898665 0.87099714294481 79.904 > 47 48 Br 0.78278713784112 0.47537961898665 0.87099714294481 79.904 > 47 49 Br 0.21721286215888 0.97537961898665 0.62900285705519 79.904 > 49 50 Br 0.71721286215888 0.97537961898665 0.62900285705519 79.904 > 49 51 Br 0.12268927265490 0.75082642175942 0.78399547591238 79.904 > 51 52 Br 0.62268927265490 0.75082642175942 0.78399547591238 79.904 > 51 53 Br 0.05762380100993 0.42759193559942 0.21122321693886 79.904 > 53 54 Br 0.55762380100993 0.42759193559942 0.21122321693886 79.904 > 53 55 Br 0.37731072734510 0.24917357824058 0.21600452408762 79.904 > 55 56 Br 0.87731072734510 0.24917357824058 0.21600452408762 79.904 > 55 57 Br 0.18664389398814 0.32047969739070 0.64779608838168 79.904 > 57 58 Br 0.68664389398814 0.32047969739070 0.64779608838168 79.904 > 57 59 Br 0.12268927265490 0.74917357824058 0.28399547591238 79.904 > 59 60 Br 0.62268927265490 0.74917357824058 0.28399547591238 79.904 > 59 61 Br 0.37731072734510 0.25082642175942 0.71600452408762 79.904 > 61 62 Br 0.87731072734510 0.25082642175942 0.71600452408762 79.904 > 61 63 Br 0.31335610601186 0.67952030260930 0.35220391161832 79.904 > 63 64 Br 0.81335610601186 0.67952030260930 0.35220391161832 79.904 > 63 65 Br 0.31335610601186 0.82047969739070 0.85220391161832 79.904 > 65 66 Br 0.81335610601186 0.82047969739070 0.85220391161832 79.904 > 65 67 Br 0.44237619899007 0.57240806440058 0.78877678306114 79.904 > 67 68 Br 0.94237619899007 0.57240806440058 0.78877678306114 79.904 > 67 69 Br 0.44406333887902 0.32499635310475 0.98683756418609 79.904 > 69 70 Br 0.94406333887902 0.32499635310475 0.98683756418609 79.904 > 69 71 Br 0.05593666112098 0.67500364689525 0.01316243581391 79.904 > 71 72 Br 0.55593666112098 0.67500364689525 0.01316243581391 79.904 > 71 73 Br 0.18664389398814 0.17952030260930 0.14779608838168 79.904 > 73 74 Br 0.68664389398814 0.17952030260930 0.14779608838168 79.904 > 73 75 Br 0.25711909130051 0.63221213421491 0.61441987788876 79.904 > 75 76 Br 0.75711909130051 0.63221213421491 0.61441987788876 79.904 > 75 77 Br 0.44406333887902 0.17500364689525 0.48683756418609 79.904 > 77 78 Br 0.94406333887902 0.17500364689525 0.48683756418609 79.904 > 77 79 Br 0.28278713784112 0.02462038101335 0.37099714294481 79.904 > 79 80 Br 0.78278713784112 0.02462038101335 0.37099714294481 79.904 > 79 81 Br 0.39407448071344 0.61903072770446 0.12224770327025 79.904 > 81 82 Br 0.89407448071344 0.61903072770446 0.12224770327025 79.904 > 81 83 Br 0.10592551928655 0.11903072770446 0.37775229672976 79.904 > 83 84 Br 0.60592551928656 0.11903072770446 0.37775229672976 79.904 > 83 85 Br 0.24288090869949 0.13221213421491 0.88558012211124 79.904 > 85 86 Br 0.74288090869949 0.13221213421491 0.88558012211124 79.904 > 85 87 Br 0.21721286215888 0.52462038101335 0.12900285705519 79.904 > 87 88 Br 0.71721286215888 0.52462038101335 0.12900285705519 79.904 > 87----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.5378394 0.0000000 -0.0869608 0.0000000 3.8621695 0.0000000 -0.0869581 0.0000000 4.8490840-------------------------- Born effective charges -------------------------- 1 Ga 2.9323591 0.6517777 0.7631915 0.2525057 2.2511984 -0.6584923 -0.0077954 -0.3440523 2.6539650 2 Ga 2.9233318 -0.2067881 -0.2585735 -0.1599854 2.2258949 0.0777397 -0.1892033 0.9992584 2.4243442 3 Ga 2.9323591 -0.6517777 0.7631915 -0.2525057 2.2511984 0.6584923 -0.0077954 0.3440523 2.6539650 4 Ga 2.9233318 0.2067881 -0.2585735 0.1599854 2.2258949 -0.0777397 -0.1892033 -0.9992584 2.4243442 5 Ga 2.9233318 -0.2067881 -0.2585735 -0.1599854 2.2258949 0.0777397 -0.1892033 0.9992584 2.4243442 6 Ga 2.9233318 0.2067881 -0.2585735 0.1599854 2.2258949 -0.0777397 -0.1892033 -0.9992584 2.4243442 7 Ga 2.9323591 0.6517777 0.7631915 0.2525057 2.2511984 -0.6584923 -0.0077954 -0.3440523 2.6539650 8 Ga 2.9323591 -0.6517777 0.7631915 -0.2525057 2.2511984 0.6584923 -0.0077954 0.3440523 2.6539650 9 Te 1.4769753 -0.5120755 0.1798668 -0.5406574 0.8366871 -0.2465373 0.4439336 -0.1133422 1.2093410 10 Te 0.6085719 -0.2608532 -0.5518207 -0.1145101 0.8105900 0.1140597 -0.3212661 0.3029250 1.5994763 11 Te 1.4769753 -0.5120755 0.1798668 -0.5406574 0.8366871 -0.2465373 0.4439336 -0.1133422 1.2093410 12 Te 0.6085719 -0.2608532 -0.5518207 -0.1145101 0.8105900 0.1140597 -0.3212661 0.3029250 1.5994763 13 Te 0.6085719 0.2608532 -0.5518207 0.1145101 0.8105900 -0.1140597 -0.3212661 -0.3029250 1.5994763 14 Te 1.4769753 0.5120755 0.1798668 0.5406574 0.8366871 0.2465373 0.4439336 0.1133422 1.2093410 15 Te 0.6085719 0.2608532 -0.5518207 0.1145101 0.8105900 -0.1140597 -0.3212661 -0.3029250 1.5994763 16 Te 1.4769753 0.5120755 0.1798668 0.5406574 0.8366871 0.2465373 0.4439336 0.1133422 1.2093410 17 Br -0.6594574 -0.1246611 -0.1873676 -0.1755392 -0.6170478 -0.2795224 -0.3153563 -0.5280464 -1.3594873 18 Br -0.9577809 -0.0450219 -0.0599245 0.0093206 -1.1966684 0.5239783 0.0088135 0.5806015 -0.7689634 19 Br -1.0174515 0.5341175 0.7465830 0.3473786 -1.0445874 -0.3005076 0.7942058 -0.5252410 -1.6497293 20 Br -1.3923217 0.0834737 0.1987393 0.0285968 -0.8572032 -0.3249758 0.2259502 -0.3425078 -1.0064713 21 Br -0.9577809 0.0450219 -0.0599245 -0.0093206 -1.1966684 -0.5239783 0.0088135 -0.5806015 -0.7689634 22 Br -1.0174515 0.5341175 0.7465830 0.3473786 -1.0445874 -0.3005076 0.7942058 -0.5252410 -1.6497293 23 Br -1.3923217 -0.0834737 0.1987393 -0.0285968 -0.8572032 0.3249758 0.2259502 0.3425078 -1.0064713 24 Br -2.1665396 -0.3674779 -0.1702515 -0.2028717 -0.6918420 -0.1842913 -0.0349866 -0.1331447 -0.3735150 25 Br -2.1665396 0.3674779 -0.1702515 0.2028717 -0.6918420 0.1842913 -0.0349866 0.1331447 -0.3735150 26 Br -0.6823221 0.0080359 0.0212054 -0.0323347 -1.0253341 0.3126472 -0.0630577 -0.0276246 -0.9459211 27 Br -1.0174515 -0.5341175 0.7465830 -0.3473786 -1.0445874 0.3005076 0.7942058 0.5252410 -1.6497293 28 Br -0.6823221 0.0080359 0.0212054 -0.0323347 -1.0253341 0.3126472 -0.0630577 -0.0276246 -0.9459211 29 Br -1.0653651 0.3409945 -0.6816481 0.3542902 -0.6916876 0.5575352 -0.5412378 0.4454626 -1.7830390 30 Br -0.6823221 -0.0080359 0.0212054 0.0323347 -1.0253341 -0.3126472 -0.0630577 0.0276246 -0.9459211 31 Br -0.6823221 -0.0080359 0.0212054 0.0323347 -1.0253341 -0.3126472 -0.0630577 0.0276246 -0.9459211 32 Br -1.0653651 0.3409945 -0.6816481 0.3542902 -0.6916876 0.5575352 -0.5412378 0.4454626 -1.7830390 33 Br -1.0653651 -0.3409945 -0.6816481 -0.3542902 -0.6916876 -0.5575352 -0.5412378 -0.4454626 -1.7830390 34 Br -1.0174515 -0.5341175 0.7465830 -0.3473786 -1.0445874 0.3005076 0.7942058 0.5252410 -1.6497293 35 Br -0.6594574 0.1246611 -0.1873676 0.1755392 -0.6170478 0.2795224 -0.3153563 0.5280464 -1.3594873 36 Br -0.6594574 0.1246611 -0.1873676 0.1755392 -0.6170478 0.2795224 -0.3153563 0.5280464 -1.3594873 37 Br -1.0653651 -0.3409945 -0.6816481 -0.3542902 -0.6916876 -0.5575352 -0.5412378 -0.4454626 -1.7830390 38 Br -0.9577809 0.0450219 -0.0599245 -0.0093206 -1.1966684 -0.5239783 0.0088135 -0.5806015 -0.7689634 39 Br -0.6594574 -0.1246611 -0.1873676 -0.1755392 -0.6170478 -0.2795224 -0.3153563 -0.5280464 -1.3594873 40 Br -2.1665396 0.3674779 -0.1702515 0.2028717 -0.6918420 0.1842913 -0.0349866 0.1331447 -0.3735150 41 Br -1.3923217 -0.0834737 0.1987393 -0.0285968 -0.8572032 0.3249758 0.2259502 0.3425078 -1.0064713 42 Br -1.3923217 0.0834737 0.1987393 0.0285968 -0.8572032 -0.3249758 0.2259502 -0.3425078 -1.0064713 43 Br -0.9577809 -0.0450219 -0.0599245 0.0093206 -1.1966684 0.5239783 0.0088135 0.5806015 -0.7689634 44 Br -2.1665396 -0.3674779 -0.1702515 -0.2028717 -0.6918420 -0.1842913 -0.0349866 -0.1331447 -0.3735150----------------------------------------------------------------------------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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099]Computing fc3[ 3, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099]Computing fc3[ 17, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099]Computing fc3[ 19, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099]Computing fc3[ 33, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099]Computing fc3[ 35, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099]Computing fc3[ 37, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099]Computing fc3[ 39, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099]Computing fc3[ 47, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099]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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099]Computing fc3[ 57, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099]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 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 18:51:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 18:51:36]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 1 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 10.089852010016577 0.000000000000000 0.000000000000000 b 0.000000000000000 10.883945629999999 0.000000000000000 c -1.999251152545778 0.000000000000000 13.748756995955207Atomic positions (fractional): 1 Ga 0.59793246915095 0.68600410231697 0.18188011695428 69.723 2 Ga 0.21674489958757 0.89259594849193 0.66059790911035 69.723 3 Ga 0.40206753084905 0.18600410231697 0.31811988304571 69.723 4 Ga 0.78325510041243 0.39259594849193 0.83940209088965 69.723 5 Ga 0.78325510041243 0.10740405150807 0.33940209088965 69.723 6 Ga 0.21674489958757 0.60740405150807 0.16059790911035 69.723 7 Ga 0.40206753084905 0.31399589768303 0.81811988304572 69.723 8 Ga 0.59793246915095 0.81399589768303 0.68188011695428 69.723 9 Te 0.08588295232312 0.46447455818434 0.62896177363113 127.600 10 Te 0.84578995954004 0.55925322626954 0.55203631084590 127.600 11 Te 0.91411704767688 0.53552544181566 0.37103822636887 127.600 12 Te 0.15421004045996 0.44074677373046 0.44796368915410 127.600 13 Te 0.84578995954004 0.94074677373046 0.05203631084590 127.600 14 Te 0.91411704767688 0.96447455818434 0.87103822636887 127.600 15 Te 0.15421004045996 0.05925322626954 0.94796368915410 127.600 16 Te 0.08588295232312 0.03552544181566 0.12896177363113 127.600 17 Br 0.11187332224197 0.82499635310475 0.51316243581391 79.904 18 Br 0.51423818260103 0.86778786578509 0.11441987788876 79.904 19 Br 0.88475239798014 0.92759193559942 0.28877678306114 79.904 20 Br 0.78814896142689 0.88096927229554 0.62224770327025 79.904 21 Br 0.48576181739897 0.36778786578509 0.38558012211124 79.904 22 Br 0.11524760201986 0.07240806440058 0.71122321693886 79.904 23 Br 0.21185103857311 0.38096927229554 0.87775229672975 79.904 24 Br 0.56557427568223 0.47537961898665 0.87099714294481 79.904 25 Br 0.43442572431777 0.97537961898665 0.62900285705519 79.904 26 Br 0.24537854530980 0.75082642175942 0.78399547591238 79.904 27 Br 0.11524760201986 0.42759193559942 0.21122321693886 79.904 28 Br 0.75462145469020 0.24917357824058 0.21600452408762 79.904 29 Br 0.37328778797627 0.32047969739070 0.64779608838168 79.904 30 Br 0.24537854530980 0.74917357824058 0.28399547591238 79.904 31 Br 0.75462145469020 0.25082642175942 0.71600452408762 79.904 32 Br 0.62671221202373 0.67952030260930 0.35220391161832 79.904 33 Br 0.62671221202373 0.82047969739070 0.85220391161832 79.904 34 Br 0.88475239798014 0.57240806440058 0.78877678306114 79.904 35 Br 0.88812667775803 0.32499635310475 0.98683756418609 79.904 36 Br 0.11187332224197 0.67500364689525 0.01316243581391 79.904 37 Br 0.37328778797627 0.17952030260930 0.14779608838168 79.904 38 Br 0.51423818260103 0.63221213421491 0.61441987788876 79.904 39 Br 0.88812667775803 0.17500364689525 0.48683756418609 79.904 40 Br 0.56557427568223 0.02462038101335 0.37099714294481 79.904 41 Br 0.78814896142689 0.61903072770446 0.12224770327025 79.904 42 Br 0.21185103857311 0.11903072770446 0.37775229672976 79.904 43 Br 0.48576181739897 0.13221213421491 0.88558012211124 79.904 44 Br 0.43442572431777 0.52462038101335 0.12900285705519 79.904-------------------------------- supercell ---------------------------------Lattice vectors: a 20.179704020033153 0.000000000000000 0.000000000000000 b 0.000000000000000 10.883945629999999 0.000000000000000 c -1.999251152545778 0.000000000000000 13.748756995955207Atomic positions (fractional): 1 Ga 0.29896623457547 0.68600410231697 0.18188011695428 69.723 > 1 2 Ga 0.79896623457547 0.68600410231697 0.18188011695428 69.723 > 1 3 Ga 0.10837244979379 0.89259594849193 0.66059790911035 69.723 > 3 4 Ga 0.60837244979379 0.89259594849193 0.66059790911035 69.723 > 3 5 Ga 0.20103376542453 0.18600410231697 0.31811988304571 69.723 > 5 6 Ga 0.70103376542453 0.18600410231697 0.31811988304571 69.723 > 5 7 Ga 0.39162755020621 0.39259594849193 0.83940209088965 69.723 > 7 8 Ga 0.89162755020621 0.39259594849193 0.83940209088965 69.723 > 7 9 Ga 0.39162755020621 0.10740405150807 0.33940209088965 69.723 > 9 10 Ga 0.89162755020621 0.10740405150807 0.33940209088965 69.723 > 9 11 Ga 0.10837244979379 0.60740405150807 0.16059790911035 69.723 > 11 12 Ga 0.60837244979379 0.60740405150807 0.16059790911035 69.723 > 11 13 Ga 0.20103376542453 0.31399589768303 0.81811988304572 69.723 > 13 14 Ga 0.70103376542453 0.31399589768303 0.81811988304572 69.723 > 13 15 Ga 0.29896623457547 0.81399589768303 0.68188011695428 69.723 > 15 16 Ga 0.79896623457547 0.81399589768303 0.68188011695428 69.723 > 15 17 Te 0.04294147616156 0.46447455818434 0.62896177363113 127.600 > 17 18 Te 0.54294147616156 0.46447455818434 0.62896177363113 127.600 > 17 19 Te 0.42289497977002 0.55925322626954 0.55203631084590 127.600 > 19 20 Te 0.92289497977002 0.55925322626954 0.55203631084590 127.600 > 19 21 Te 0.45705852383844 0.53552544181566 0.37103822636887 127.600 > 21 22 Te 0.95705852383844 0.53552544181566 0.37103822636887 127.600 > 21 23 Te 0.07710502022998 0.44074677373046 0.44796368915410 127.600 > 23 24 Te 0.57710502022998 0.44074677373046 0.44796368915410 127.600 > 23 25 Te 0.42289497977002 0.94074677373046 0.05203631084590 127.600 > 25 26 Te 0.92289497977002 0.94074677373046 0.05203631084590 127.600 > 25 27 Te 0.45705852383844 0.96447455818434 0.87103822636887 127.600 > 27 28 Te 0.95705852383844 0.96447455818434 0.87103822636887 127.600 > 27 29 Te 0.07710502022998 0.05925322626954 0.94796368915410 127.600 > 29 30 Te 0.57710502022998 0.05925322626954 0.94796368915410 127.600 > 29 31 Te 0.04294147616156 0.03552544181566 0.12896177363113 127.600 > 31 32 Te 0.54294147616156 0.03552544181566 0.12896177363113 127.600 > 31 33 Br 0.05593666112098 0.82499635310475 0.51316243581391 79.904 > 33 34 Br 0.55593666112098 0.82499635310475 0.51316243581391 79.904 > 33 35 Br 0.25711909130051 0.86778786578509 0.11441987788876 79.904 > 35 36 Br 0.75711909130051 0.86778786578509 0.11441987788876 79.904 > 35 37 Br 0.44237619899007 0.92759193559942 0.28877678306114 79.904 > 37 38 Br 0.94237619899007 0.92759193559942 0.28877678306114 79.904 > 37 39 Br 0.39407448071344 0.88096927229554 0.62224770327025 79.904 > 39 40 Br 0.89407448071344 0.88096927229554 0.62224770327025 79.904 > 39 41 Br 0.24288090869949 0.36778786578509 0.38558012211124 79.904 > 41 42 Br 0.74288090869949 0.36778786578509 0.38558012211124 79.904 > 41 43 Br 0.05762380100993 0.07240806440058 0.71122321693886 79.904 > 43 44 Br 0.55762380100993 0.07240806440058 0.71122321693886 79.904 > 43 45 Br 0.10592551928655 0.38096927229554 0.87775229672975 79.904 > 45 46 Br 0.60592551928656 0.38096927229554 0.87775229672975 79.904 > 45 47 Br 0.28278713784112 0.47537961898665 0.87099714294481 79.904 > 47 48 Br 0.78278713784112 0.47537961898665 0.87099714294481 79.904 > 47 49 Br 0.21721286215888 0.97537961898665 0.62900285705519 79.904 > 49 50 Br 0.71721286215888 0.97537961898665 0.62900285705519 79.904 > 49 51 Br 0.12268927265490 0.75082642175942 0.78399547591238 79.904 > 51 52 Br 0.62268927265490 0.75082642175942 0.78399547591238 79.904 > 51 53 Br 0.05762380100993 0.42759193559942 0.21122321693886 79.904 > 53 54 Br 0.55762380100993 0.42759193559942 0.21122321693886 79.904 > 53 55 Br 0.37731072734510 0.24917357824058 0.21600452408762 79.904 > 55 56 Br 0.87731072734510 0.24917357824058 0.21600452408762 79.904 > 55 57 Br 0.18664389398814 0.32047969739070 0.64779608838168 79.904 > 57 58 Br 0.68664389398814 0.32047969739070 0.64779608838168 79.904 > 57 59 Br 0.12268927265490 0.74917357824058 0.28399547591238 79.904 > 59 60 Br 0.62268927265490 0.74917357824058 0.28399547591238 79.904 > 59 61 Br 0.37731072734510 0.25082642175942 0.71600452408762 79.904 > 61 62 Br 0.87731072734510 0.25082642175942 0.71600452408762 79.904 > 61 63 Br 0.31335610601186 0.67952030260930 0.35220391161832 79.904 > 63 64 Br 0.81335610601186 0.67952030260930 0.35220391161832 79.904 > 63 65 Br 0.31335610601186 0.82047969739070 0.85220391161832 79.904 > 65 66 Br 0.81335610601186 0.82047969739070 0.85220391161832 79.904 > 65 67 Br 0.44237619899007 0.57240806440058 0.78877678306114 79.904 > 67 68 Br 0.94237619899007 0.57240806440058 0.78877678306114 79.904 > 67 69 Br 0.44406333887902 0.32499635310475 0.98683756418609 79.904 > 69 70 Br 0.94406333887902 0.32499635310475 0.98683756418609 79.904 > 69 71 Br 0.05593666112098 0.67500364689525 0.01316243581391 79.904 > 71 72 Br 0.55593666112098 0.67500364689525 0.01316243581391 79.904 > 71 73 Br 0.18664389398814 0.17952030260930 0.14779608838168 79.904 > 73 74 Br 0.68664389398814 0.17952030260930 0.14779608838168 79.904 > 73 75 Br 0.25711909130051 0.63221213421491 0.61441987788876 79.904 > 75 76 Br 0.75711909130051 0.63221213421491 0.61441987788876 79.904 > 75 77 Br 0.44406333887902 0.17500364689525 0.48683756418609 79.904 > 77 78 Br 0.94406333887902 0.17500364689525 0.48683756418609 79.904 > 77 79 Br 0.28278713784112 0.02462038101335 0.37099714294481 79.904 > 79 80 Br 0.78278713784112 0.02462038101335 0.37099714294481 79.904 > 79 81 Br 0.39407448071344 0.61903072770446 0.12224770327025 79.904 > 81 82 Br 0.89407448071344 0.61903072770446 0.12224770327025 79.904 > 81 83 Br 0.10592551928655 0.11903072770446 0.37775229672976 79.904 > 83 84 Br 0.60592551928656 0.11903072770446 0.37775229672976 79.904 > 83 85 Br 0.24288090869949 0.13221213421491 0.88558012211124 79.904 > 85 86 Br 0.74288090869949 0.13221213421491 0.88558012211124 79.904 > 85 87 Br 0.21721286215888 0.52462038101335 0.12900285705519 79.904 > 87 88 Br 0.71721286215888 0.52462038101335 0.12900285705519 79.904 > 87----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.5378394 0.0000000 -0.0869608 0.0000000 3.8621695 0.0000000 -0.0869581 0.0000000 4.8490840-------------------------- Born effective charges -------------------------- 1 Ga 2.9323591 0.6517777 0.7631915 0.2525057 2.2511984 -0.6584923 -0.0077954 -0.3440523 2.6539650 2 Ga 2.9233318 -0.2067881 -0.2585735 -0.1599854 2.2258949 0.0777397 -0.1892033 0.9992584 2.4243442 3 Ga 2.9323591 -0.6517777 0.7631915 -0.2525057 2.2511984 0.6584923 -0.0077954 0.3440523 2.6539650 4 Ga 2.9233318 0.2067881 -0.2585735 0.1599854 2.2258949 -0.0777397 -0.1892033 -0.9992584 2.4243442 5 Ga 2.9233318 -0.2067881 -0.2585735 -0.1599854 2.2258949 0.0777397 -0.1892033 0.9992584 2.4243442 6 Ga 2.9233318 0.2067881 -0.2585735 0.1599854 2.2258949 -0.0777397 -0.1892033 -0.9992584 2.4243442 7 Ga 2.9323591 0.6517777 0.7631915 0.2525057 2.2511984 -0.6584923 -0.0077954 -0.3440523 2.6539650 8 Ga 2.9323591 -0.6517777 0.7631915 -0.2525057 2.2511984 0.6584923 -0.0077954 0.3440523 2.6539650 9 Te 1.4769753 -0.5120755 0.1798668 -0.5406574 0.8366871 -0.2465373 0.4439336 -0.1133422 1.2093410 10 Te 0.6085719 -0.2608532 -0.5518207 -0.1145101 0.8105900 0.1140597 -0.3212661 0.3029250 1.5994763 11 Te 1.4769753 -0.5120755 0.1798668 -0.5406574 0.8366871 -0.2465373 0.4439336 -0.1133422 1.2093410 12 Te 0.6085719 -0.2608532 -0.5518207 -0.1145101 0.8105900 0.1140597 -0.3212661 0.3029250 1.5994763 13 Te 0.6085719 0.2608532 -0.5518207 0.1145101 0.8105900 -0.1140597 -0.3212661 -0.3029250 1.5994763 14 Te 1.4769753 0.5120755 0.1798668 0.5406574 0.8366871 0.2465373 0.4439336 0.1133422 1.2093410 15 Te 0.6085719 0.2608532 -0.5518207 0.1145101 0.8105900 -0.1140597 -0.3212661 -0.3029250 1.5994763 16 Te 1.4769753 0.5120755 0.1798668 0.5406574 0.8366871 0.2465373 0.4439336 0.1133422 1.2093410 17 Br -0.6594574 -0.1246611 -0.1873676 -0.1755392 -0.6170478 -0.2795224 -0.3153563 -0.5280464 -1.3594873 18 Br -0.9577809 -0.0450219 -0.0599245 0.0093206 -1.1966684 0.5239783 0.0088135 0.5806015 -0.7689634 19 Br -1.0174515 0.5341175 0.7465830 0.3473786 -1.0445874 -0.3005076 0.7942058 -0.5252410 -1.6497293 20 Br -1.3923217 0.0834737 0.1987393 0.0285968 -0.8572032 -0.3249758 0.2259502 -0.3425078 -1.0064713 21 Br -0.9577809 0.0450219 -0.0599245 -0.0093206 -1.1966684 -0.5239783 0.0088135 -0.5806015 -0.7689634 22 Br -1.0174515 0.5341175 0.7465830 0.3473786 -1.0445874 -0.3005076 0.7942058 -0.5252410 -1.6497293 23 Br -1.3923217 -0.0834737 0.1987393 -0.0285968 -0.8572032 0.3249758 0.2259502 0.3425078 -1.0064713 24 Br -2.1665396 -0.3674779 -0.1702515 -0.2028717 -0.6918420 -0.1842913 -0.0349866 -0.1331447 -0.3735150 25 Br -2.1665396 0.3674779 -0.1702515 0.2028717 -0.6918420 0.1842913 -0.0349866 0.1331447 -0.3735150 26 Br -0.6823221 0.0080359 0.0212054 -0.0323347 -1.0253341 0.3126472 -0.0630577 -0.0276246 -0.9459211 27 Br -1.0174515 -0.5341175 0.7465830 -0.3473786 -1.0445874 0.3005076 0.7942058 0.5252410 -1.6497293 28 Br -0.6823221 0.0080359 0.0212054 -0.0323347 -1.0253341 0.3126472 -0.0630577 -0.0276246 -0.9459211 29 Br -1.0653651 0.3409945 -0.6816481 0.3542902 -0.6916876 0.5575352 -0.5412378 0.4454626 -1.7830390 30 Br -0.6823221 -0.0080359 0.0212054 0.0323347 -1.0253341 -0.3126472 -0.0630577 0.0276246 -0.9459211 31 Br -0.6823221 -0.0080359 0.0212054 0.0323347 -1.0253341 -0.3126472 -0.0630577 0.0276246 -0.9459211 32 Br -1.0653651 0.3409945 -0.6816481 0.3542902 -0.6916876 0.5575352 -0.5412378 0.4454626 -1.7830390 33 Br -1.0653651 -0.3409945 -0.6816481 -0.3542902 -0.6916876 -0.5575352 -0.5412378 -0.4454626 -1.7830390 34 Br -1.0174515 -0.5341175 0.7465830 -0.3473786 -1.0445874 0.3005076 0.7942058 0.5252410 -1.6497293 35 Br -0.6594574 0.1246611 -0.1873676 0.1755392 -0.6170478 0.2795224 -0.3153563 0.5280464 -1.3594873 36 Br -0.6594574 0.1246611 -0.1873676 0.1755392 -0.6170478 0.2795224 -0.3153563 0.5280464 -1.3594873 37 Br -1.0653651 -0.3409945 -0.6816481 -0.3542902 -0.6916876 -0.5575352 -0.5412378 -0.4454626 -1.7830390 38 Br -0.9577809 0.0450219 -0.0599245 -0.0093206 -1.1966684 -0.5239783 0.0088135 -0.5806015 -0.7689634 39 Br -0.6594574 -0.1246611 -0.1873676 -0.1755392 -0.6170478 -0.2795224 -0.3153563 -0.5280464 -1.3594873 40 Br -2.1665396 0.3674779 -0.1702515 0.2028717 -0.6918420 0.1842913 -0.0349866 0.1331447 -0.3735150 41 Br -1.3923217 -0.0834737 0.1987393 -0.0285968 -0.8572032 0.3249758 0.2259502 0.3425078 -1.0064713 42 Br -1.3923217 0.0834737 0.1987393 0.0285968 -0.8572032 -0.3249758 0.2259502 -0.3425078 -1.0064713 43 Br -0.9577809 -0.0450219 -0.0599245 0.0093206 -1.1966684 0.5239783 0.0088135 0.5806015 -0.7689634 44 Br -2.1665396 -0.3674779 -0.1702515 -0.2028717 -0.6918420 -0.1842913 -0.0349866 -0.1331447 -0.3735150----------------------------------------------------------------------------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 (zz) -0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 5 5 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: 0.36, Number of G-points: 297, Lambda: 0.08Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/33) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 33Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 0.501 ( 0.000 0.000 0.000) 0.000 0.557 ( 0.000 0.000 0.000) 0.000 0.619 ( 0.000 0.000 0.000) 0.000 0.648 ( 0.000 0.000 0.000) 0.000 0.655 ( 0.000 0.000 0.000) 0.000 0.671 ( 0.000 0.000 0.000) 0.000 0.720 ( 0.000 0.000 0.000) 0.000 0.743 ( 0.000 0.000 0.000) 0.000 0.762 ( 0.000 0.000 0.000) 0.000 0.798 ( 0.000 0.000 0.000) 0.000 0.817 ( 0.000 0.000 0.000) 0.000 0.869 ( 0.000 0.000 0.000) 0.000 0.876 ( 0.000 0.000 0.000) 0.000 0.881 ( 0.000 0.000 0.000) 0.000 0.884 ( 0.000 0.000 0.000) 0.000 0.916 ( 0.000 0.000 0.000) 0.000 0.936 ( 0.000 0.000 0.000) 0.000 0.943 ( 0.000 0.000 0.000) 0.000 0.982 ( 0.000 0.000 0.000) 0.000 0.990 ( 0.000 0.000 0.000) 0.000 1.012 ( 0.000 0.000 0.000) 0.000 1.027 ( 0.000 0.000 0.000) 0.000 1.035 ( 0.000 0.000 0.000) 0.000 1.068 ( 0.000 0.000 0.000) 0.000 1.110 ( 0.000 0.000 0.000) 0.000 1.111 ( 0.000 0.000 0.000) 0.000 1.138 ( 0.000 0.000 0.000) 0.000 1.141 ( 0.000 0.000 0.000) 0.000 1.150 ( 0.000 0.000 0.000) 0.000 1.258 ( 0.000 0.000 0.000) 0.000 1.267 ( 0.000 0.000 0.000) 0.000 1.300 ( 0.000 0.000 0.000) 0.000 1.307 ( 0.000 0.000 0.000) 0.000 1.320 ( 0.000 0.000 0.000) 0.000 1.329 ( 0.000 0.000 0.000) 0.000 1.343 ( 0.000 0.000 0.000) 0.000 1.361 ( 0.000 0.000 0.000) 0.000 1.384 ( 0.000 0.000 0.000) 0.000 1.444 ( 0.000 0.000 0.000) 0.000 1.454 ( 0.000 0.000 0.000) 0.000 1.467 ( 0.000 0.000 0.000) 0.000 1.480 ( 0.000 0.000 0.000) 0.000 1.485 ( 0.000 0.000 0.000) 0.000 1.512 ( 0.000 0.000 0.000) 0.000 1.566 ( 0.000 0.000 0.000) 0.000 1.599 ( 0.000 0.000 0.000) 0.000 1.649 ( 0.000 0.000 0.000) 0.000 1.715 ( 0.000 0.000 0.000) 0.000 1.770 ( 0.000 0.000 0.000) 0.000 1.852 ( 0.000 0.000 0.000) 0.000 1.873 ( 0.000 0.000 0.000) 0.000 1.901 ( 0.000 0.000 0.000) 0.000 1.903 ( 0.000 0.000 0.000) 0.000 1.927 ( 0.000 0.000 0.000) 0.000 2.008 ( 0.000 0.000 0.000) 0.000 2.015 ( 0.000 0.000 0.000) 0.000 2.047 ( 0.000 0.000 0.000) 0.000 2.078 ( 0.000 0.000 0.000) 0.000 2.079 ( 0.000 0.000 0.000) 0.000 2.156 ( 0.000 0.000 0.000) 0.000 2.205 ( 0.000 0.000 0.000) 0.000 2.245 ( 0.000 0.000 0.000) 0.000 2.296 ( 0.000 0.000 0.000) 0.000 2.507 ( 0.000 0.000 0.000) 0.000 2.530 ( 0.000 0.000 0.000) 0.000 2.555 ( 0.000 0.000 0.000) 0.000 2.584 ( 0.000 0.000 0.000) 0.000 2.590 ( 0.000 0.000 0.000) 0.000 2.595 ( 0.000 0.000 0.000) 0.000 2.605 ( 0.000 0.000 0.000) 0.000 2.636 ( 0.000 0.000 0.000) 0.000 2.640 ( 0.000 0.000 0.000) 0.000 2.658 ( 0.000 0.000 0.000) 0.000 2.667 ( 0.000 0.000 0.000) 0.000 2.715 ( 0.000 0.000 0.000) 0.000 2.791 ( 0.000 0.000 0.000) 0.000 2.793 ( 0.000 0.000 0.000) 0.000 2.803 ( 0.000 0.000 0.000) 0.000 2.839 ( 0.000 0.000 0.000) 0.000 2.893 ( 0.000 0.000 0.000) 0.000 2.919 ( 0.000 0.000 0.000) 0.000 2.927 ( 0.000 0.000 0.000) 0.000 3.009 ( 0.000 0.000 0.000) 0.000 3.037 ( 0.000 0.000 0.000) 0.000 3.046 ( 0.000 0.000 0.000) 0.000 3.182 ( 0.000 0.000 0.000) 0.000 3.206 ( 0.000 0.000 0.000) 0.000 3.222 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 0.000) 0.000 5.366 ( 0.000 0.000 0.000) 0.000 5.394 ( 0.000 0.000 0.000) 0.000 5.403 ( 0.000 0.000 0.000) 0.000 5.414 ( 0.000 0.000 0.000) 0.000 5.569 ( 0.000 0.000 0.000) 0.000 5.572 ( 0.000 0.000 0.000) 0.000 5.603 ( 0.000 0.000 0.000) 0.000 5.604 ( 0.000 0.000 0.000) 0.000 5.694 ( 0.000 0.000 0.000) 0.000 5.728 ( 0.000 0.000 0.000) 0.000 5.836 ( 0.000 0.000 0.000) 0.000 5.842 ( 0.000 0.000 0.000) 0.000 5.844 ( 0.000 0.000 0.000) 0.000 5.863 ( 0.000 0.000 0.000) 0.000 6.233 ( 0.000 0.000 0.000) 0.000 6.258 ( 0.000 0.000 0.000) 0.000 6.262 ( 0.000 0.000 0.000) 0.000 6.266 ( 0.000 0.000 0.000) 0.000 6.367 ( 0.000 0.000 0.000) 0.000 6.387 ( 0.000 0.000 0.000) 0.000 6.964 ( 0.000 0.000 0.000) 0.000 6.992 ( 0.000 0.000 0.000) 0.000 7.090 ( 0.000 0.000 0.000) 0.000 7.111 ( 0.000 0.000 0.000) 0.000 8.039 ( 0.000 0.000 0.000) 0.000 8.111 ( 0.000 0.000 0.000) 0.000 8.139 ( 0.000 0.000 0.000) 0.000 8.149 ( 0.000 0.000 0.000) 0.000 8.175 ( 0.000 0.000 0.000) 0.000 8.175 ( 0.000 0.000 0.000) 0.000 8.214 ( 0.000 0.000 0.000) 0.000 8.339 ( 0.000 0.000 0.000) 0.000 8.798 ( 0.000 0.000 0.000) 0.000 8.823 ( 0.000 0.000 0.000) 0.000 8.845 ( 0.000 0.000 0.000) 0.000 8.994 ( 0.000 0.000 0.000) 0.000 9.104 ( 0.000 0.000 0.000) 0.000 9.162 ( 0.000 0.000 0.000) 0.000 9.247 ( 0.000 0.000 0.000) 0.000 9.339 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/33) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 33Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.181 ( 9.655 0.000 -1.182) 9.727 0.191 ( 8.951 0.000 1.612) 9.095 0.368 ( 16.824 0.000 -0.661) 16.837 0.521 ( 1.930 0.000 -0.291) 1.951 0.591 ( 0.422 0.000 1.798) 1.847 0.599 ( -2.537 0.000 3.918) 4.668 0.633 ( -1.214 0.000 -1.856) 2.218 0.659 ( -1.332 0.000 -0.719) 1.514 0.687 ( 0.031 0.000 -0.653) 0.654 0.715 ( -1.147 0.000 -1.473) 1.867 0.723 ( 4.331 0.000 -1.510) 4.587 0.762 ( -0.792 0.000 2.130) 2.272 0.790 ( 0.265 0.000 -1.632) 1.654 0.814 ( -0.343 0.000 1.790) 1.822 0.818 ( -2.896 0.000 2.139) 3.600 0.832 ( -2.492 0.000 3.377) 4.197 0.873 ( -4.026 0.000 -2.516) 4.748 0.884 ( -0.260 0.000 -0.368) 0.451 0.911 ( -2.959 0.000 -0.280) 2.972 0.934 ( 0.828 0.000 -0.593) 1.019 0.953 ( 1.203 0.000 0.666) 1.375 0.978 ( 0.450 0.000 2.870) 2.905 1.000 ( -0.095 0.000 -2.032) 2.035 1.014 ( 1.110 0.000 -3.071) 3.265 1.044 ( 0.910 0.000 -0.281) 0.953 1.053 ( 0.852 0.000 2.945) 3.066 1.072 ( 0.115 0.000 -0.193) 0.225 1.108 ( 0.661 0.000 -1.465) 1.607 1.142 ( -0.724 0.000 -2.260) 2.373 1.145 ( 2.100 0.000 1.322) 2.482 1.161 ( 1.865 0.000 -1.600) 2.457 1.175 ( 0.781 0.000 0.466) 0.909 1.242 ( -1.668 0.000 -0.487) 1.738 1.268 ( -0.149 0.000 1.894) 1.900 1.279 ( -2.801 0.000 0.199) 2.808 1.291 ( -1.444 0.000 2.212) 2.642 1.327 ( 1.662 0.000 0.064) 1.663 1.334 ( -0.052 0.000 -1.459) 1.460 1.344 ( 1.494 0.000 0.462) 1.564 1.371 ( 0.029 0.000 -1.386) 1.386 1.396 ( 1.213 0.000 0.895) 1.508 1.446 ( -0.856 0.000 1.169) 1.449 1.450 ( 0.082 0.000 0.549) 0.556 1.458 ( -0.296 0.000 -0.730) 0.787 1.495 ( -1.473 0.000 -1.904) 2.408 1.508 ( 1.864 0.000 -0.567) 1.948 1.542 ( 1.913 0.000 -0.024) 1.914 1.568 ( -1.010 0.000 -0.158) 1.022 1.615 ( 0.875 0.000 -0.643) 1.086 1.636 ( -1.000 0.000 1.469) 1.776 1.747 ( 2.083 0.000 0.516) 2.146 1.758 ( -0.976 0.000 -0.796) 1.259 1.841 ( -0.906 0.000 -0.472) 1.022 1.877 ( 0.156 0.000 1.516) 1.524 1.891 ( -1.153 0.000 -1.078) 1.578 1.898 ( -0.233 0.000 -0.066) 0.242 1.938 ( 0.273 0.000 0.585) 0.645 1.975 ( -1.941 0.000 -1.764) 2.623 2.019 ( -1.728 0.000 -2.305) 2.881 2.033 ( 0.659 0.000 0.695) 0.958 2.079 ( 0.140 0.000 -0.057) 0.151 2.124 ( -0.025 0.000 1.551) 1.551 2.170 ( 1.196 0.000 0.926) 1.513 2.211 ( 0.404 0.000 -2.911) 2.939 2.246 ( -0.059 0.000 0.250) 0.257 2.279 ( -1.673 0.000 0.179) 1.682 2.513 ( -0.812 0.000 -0.210) 0.838 2.513 ( 0.484 0.000 0.794) 0.930 2.565 ( 0.652 0.000 -0.140) 0.667 2.571 ( -0.996 0.000 -0.277) 1.033 2.596 ( -0.912 0.000 -0.153) 0.925 2.602 ( -1.609 0.000 0.442) 1.668 2.615 ( 0.992 0.000 -0.399) 1.070 2.625 ( -0.438 0.000 -0.785) 0.899 2.635 ( -1.578 0.000 -0.837) 1.787 2.679 ( 0.461 0.000 -0.544) 0.713 2.732 ( 1.368 0.000 -0.290) 1.398 2.776 ( -1.073 0.000 -1.437) 1.793 2.802 ( 0.861 0.000 1.126) 1.417 2.803 ( -1.058 0.000 0.152) 1.069 2.825 ( -1.143 0.000 -1.134) 1.610 2.849 ( -3.162 0.000 6.243) 6.998 2.909 ( -0.902 0.000 1.149) 1.461 2.922 ( 2.106 0.000 -3.126) 3.769 2.930 ( 1.640 0.000 -2.412) 2.916 3.020 ( -1.411 0.000 -1.408) 1.994 3.042 ( 0.033 0.000 0.571) 0.572 3.044 ( 1.606 0.000 0.743) 1.770 3.212 ( -0.112 0.000 -2.247) 2.249 3.215 ( 0.754 0.000 0.155) 0.770 3.240 ( 1.121 0.000 1.114) 1.580 3.243 ( -0.762 0.000 0.584) 0.960 5.386 ( 1.590 0.000 0.491) 1.664 5.423 ( 1.811 0.000 -1.082) 2.110 5.432 ( 1.517 0.000 0.155) 1.524 5.487 ( 0.260 0.000 -0.251) 0.361 5.578 ( 0.670 0.000 -0.075) 0.674 5.580 ( 0.966 0.000 0.076) 0.970 5.614 ( 1.057 0.000 -0.622) 1.226 5.680 ( 0.721 0.000 -1.380) 1.557 5.689 ( -0.345 0.000 -0.081) 0.355 5.741 ( -1.456 0.000 -0.130) 1.462 5.853 ( -0.018 0.000 0.597) 0.597 5.855 ( 0.411 0.000 -0.204) 0.459 5.878 ( 2.112 0.000 0.174) 2.119 5.880 ( 2.093 0.000 0.691) 2.204 6.232 ( -0.176 0.000 1.337) 1.348 6.263 ( 0.055 0.000 -0.303) 0.308 6.270 ( 1.049 0.000 -0.230) 1.074 6.324 ( -3.548 0.000 -0.605) 3.599 6.351 ( -3.148 0.000 -0.843) 3.259 6.620 ( 1.717 0.000 -5.876) 6.122 6.977 ( 1.081 0.000 0.456) 1.173 7.019 ( 0.140 0.000 4.226) 4.229 7.089 ( 0.071 0.000 -0.827) 0.830 7.102 ( -0.822 0.000 0.181) 0.842 8.049 ( 0.941 0.000 -0.050) 0.943 8.104 ( -0.951 0.000 -1.887) 2.114 8.124 ( 0.289 0.000 -0.351) 0.454 8.157 ( -0.675 0.000 -0.269) 0.727 8.190 ( 1.981 0.000 -2.328) 3.057 8.198 ( 1.177 0.000 -0.363) 1.232 8.212 ( -0.286 0.000 -0.056) 0.292 8.336 ( -0.505 0.000 1.116) 1.225 8.805 ( 0.662 0.000 -0.193) 0.689 8.832 ( 0.702 0.000 0.162) 0.720 8.930 ( -0.611 0.000 3.479) 3.532 8.972 ( -1.826 0.000 -0.594) 1.921 9.114 ( -0.747 0.000 4.396) 4.459 9.157 ( -0.408 0.000 0.071) 0.414 9.246 ( -0.037 0.000 0.335) 0.337 9.324 ( -1.321 0.000 -0.197) 1.335======================= Grid point 2 (3/33) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 33Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.355 ( 6.855 0.000 -1.002) 6.928 0.356 ( 6.535 0.000 0.793) 6.583 0.506 ( -3.448 0.000 0.293) 3.461 0.561 ( 2.170 0.000 -0.534) 2.235 0.561 ( -3.877 0.000 0.641) 3.930 0.587 ( 2.169 0.000 -2.236) 3.115 0.589 ( -1.303 0.000 3.841) 4.056 0.657 ( -0.372 0.000 -0.845) 0.923 0.684 ( 0.729 0.000 0.078) 0.733 0.710 ( -4.354 0.000 -0.663) 4.404 0.720 ( -1.932 0.000 3.137) 3.684 0.776 ( 1.414 0.000 0.244) 1.435 0.790 ( 1.712 0.000 -0.742) 1.866 0.811 ( 1.649 0.000 1.598) 2.296 0.824 ( -1.037 0.000 -2.226) 2.456 0.839 ( 1.457 0.000 2.135) 2.585 0.847 ( 0.900 0.000 -0.788) 1.196 0.850 ( 3.385 0.000 -1.430) 3.674 0.910 ( 1.531 0.000 0.224) 1.548 0.939 ( -0.675 0.000 -0.574) 0.886 0.981 ( 1.321 0.000 -0.599) 1.451 0.983 ( 0.297 0.000 2.851) 2.867 0.996 ( 0.237 0.000 -1.529) 1.547 1.018 ( -0.478 0.000 -2.769) 2.810 1.029 ( -2.330 0.000 1.865) 2.985 1.065 ( -0.528 0.000 2.034) 2.101 1.075 ( -0.056 0.000 -1.830) 1.830 1.098 ( -1.083 0.000 -2.923) 3.117 1.136 ( 1.444 0.000 -0.059) 1.445 1.153 ( -2.750 0.000 1.283) 3.034 1.171 ( -1.004 0.000 1.523) 1.825 1.197 ( 1.310 0.000 -0.520) 1.410 1.203 ( -1.788 0.000 0.026) 1.788 1.222 ( -0.531 0.000 0.330) 0.625 1.278 ( 0.840 0.000 -0.382) 0.923 1.310 ( -1.599 0.000 -0.243) 1.618 1.318 ( 2.113 0.000 0.689) 2.222 1.349 ( -0.315 0.000 0.100) 0.330 1.377 ( 1.053 0.000 0.031) 1.053 1.383 ( 1.560 0.000 -0.505) 1.640 1.425 ( 1.261 0.000 0.406) 1.325 1.431 ( -0.263 0.000 -0.421) 0.496 1.450 ( -0.582 0.000 -0.388) 0.699 1.451 ( -0.265 0.000 0.640) 0.693 1.482 ( -0.225 0.000 0.351) 0.417 1.536 ( 0.830 0.000 -0.326) 0.892 1.551 ( -0.298 0.000 -0.119) 0.320 1.567 ( 0.452 0.000 0.169) 0.482 1.625 ( 0.366 0.000 -0.166) 0.402 1.634 ( 0.266 0.000 0.568) 0.627 1.737 ( -0.649 0.000 -0.537) 0.842 1.772 ( 0.194 0.000 -0.230) 0.301 1.826 ( -0.125 0.000 -0.204) 0.239 1.858 ( -1.433 0.000 -0.844) 1.664 1.881 ( -0.118 0.000 0.788) 0.797 1.903 ( 0.489 0.000 -0.368) 0.612 1.935 ( -1.261 0.000 -0.604) 1.398 1.950 ( 0.726 0.000 0.549) 0.910 1.988 ( -0.743 0.000 0.183) 0.765 2.042 ( 0.154 0.000 0.099) 0.184 2.086 ( 0.394 0.000 0.040) 0.396 2.113 ( -0.876 0.000 -0.259) 0.913 2.201 ( 1.554 0.000 0.458) 1.620 2.217 ( 0.477 0.000 -0.829) 0.957 2.240 ( -1.995 0.000 -0.000) 1.995 2.243 ( -0.227 0.000 0.083) 0.242 2.507 ( 0.165 0.000 -0.277) 0.322 2.525 ( 0.309 0.000 0.201) 0.368 2.559 ( 0.080 0.000 0.272) 0.284 2.573 ( -0.379 0.000 -0.764) 0.853 2.574 ( -1.054 0.000 -0.733) 1.283 2.574 ( -0.527 0.000 0.344) 0.629 2.596 ( -0.563 0.000 -0.096) 0.571 2.604 ( -1.053 0.000 0.314) 1.098 2.646 ( 0.758 0.000 0.005) 0.758 2.683 ( 0.278 0.000 -0.246) 0.372 2.750 ( -1.705 0.000 -0.268) 1.725 2.751 ( -1.545 0.000 -0.310) 1.576 2.752 ( 0.506 0.000 -0.069) 0.511 2.801 ( -0.631 0.000 -0.731) 0.966 2.822 ( 0.634 0.000 0.605) 0.876 2.840 ( 0.097 0.000 0.911) 0.916 2.917 ( 1.110 0.000 1.720) 2.047 2.936 ( 0.366 0.000 -0.259) 0.448 2.971 ( -2.344 0.000 -1.737) 2.917 2.980 ( 2.546 0.000 0.125) 2.549 3.032 ( -1.052 0.000 -0.465) 1.151 3.076 ( 0.940 0.000 0.199) 0.961 3.203 ( -0.268 0.000 -0.553) 0.614 3.228 ( -0.081 0.000 -0.344) 0.353 3.230 ( -0.036 0.000 0.794) 0.795 3.260 ( 0.515 0.000 0.482) 0.705 5.414 ( 0.782 0.000 0.194) 0.806 5.451 ( 0.893 0.000 -0.454) 1.002 5.458 ( 0.757 0.000 0.156) 0.773 5.492 ( 0.210 0.000 -0.207) 0.295 5.594 ( 0.721 0.000 -0.113) 0.729 5.600 ( 0.752 0.000 0.082) 0.756 5.635 ( 0.825 0.000 -0.465) 0.947 5.684 ( -0.109 0.000 -0.030) 0.113 5.689 ( 0.336 0.000 -0.183) 0.383 5.717 ( -0.778 0.000 0.031) 0.779 5.852 ( -0.068 0.000 0.192) 0.204 5.857 ( 0.023 0.000 -0.082) 0.085 5.923 ( 1.506 0.000 0.219) 1.521 5.928 ( 1.970 0.000 0.010) 1.970 6.237 ( 0.517 0.000 1.284) 1.384 6.241 ( -1.995 0.000 -0.682) 2.108 6.276 ( -2.497 0.000 -1.288) 2.810 6.276 ( -0.386 0.000 0.203) 0.436 6.292 ( 0.075 0.000 0.201) 0.214 6.633 ( 0.486 0.000 -0.946) 1.063 6.999 ( 0.690 0.000 0.306) 0.754 7.033 ( 0.307 0.000 1.048) 1.092 7.087 ( -0.556 0.000 0.069) 0.560 7.088 ( 0.038 0.000 -0.539) 0.540 8.069 ( 0.750 0.000 -0.017) 0.750 8.083 ( -0.504 0.000 -0.614) 0.794 8.136 ( 0.530 0.000 0.015) 0.530 8.145 ( -0.465 0.000 0.043) 0.467 8.192 ( -0.415 0.000 -0.438) 0.603 8.218 ( 0.850 0.000 -0.726) 1.117 8.225 ( 0.777 0.000 0.035) 0.778 8.326 ( -0.635 0.000 0.954) 1.146 8.817 ( 0.426 0.000 -0.111) 0.440 8.845 ( 0.458 0.000 0.099) 0.469 8.928 ( -0.208 0.000 0.775) 0.802 8.937 ( -1.059 0.000 -0.379) 1.124 9.112 ( -0.225 0.000 1.015) 1.039 9.150 ( -0.252 0.000 0.070) 0.261 9.249 ( 0.146 0.000 0.273) 0.309 9.297 ( -0.975 0.000 -0.197) 0.995======================= Grid point 5 (4/33) =======================q-point: ( 0.00 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 33Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.069 ( 0.000 5.285 0.000) 5.285 0.189 ( 0.000 9.911 0.000) 9.911 0.244 ( 0.000 12.384 0.000) 12.384 0.475 ( 0.000 -4.105 0.000) 4.105 0.528 ( 0.000 -2.174 0.000) 2.174 0.569 ( 0.000 -5.756 0.000) 5.756 0.580 ( 0.000 -3.592 0.000) 3.592 0.668 ( 0.000 1.733 0.000) 1.733 0.685 ( 0.000 1.046 0.000) 1.046 0.697 ( 0.000 -2.763 0.000) 2.763 0.758 ( 0.000 -0.251 0.000) 0.251 0.775 ( 0.000 1.255 0.000) 1.255 0.802 ( 0.000 -1.002 0.000) 1.002 0.823 ( 0.000 1.108 0.000) 1.108 0.844 ( 0.000 -2.561 0.000) 2.561 0.854 ( 0.000 -1.830 0.000) 1.830 0.872 ( 0.000 -1.077 0.000) 1.077 0.909 ( 0.000 2.531 0.000) 2.531 0.916 ( 0.000 1.065 0.000) 1.065 0.938 ( 0.000 -3.953 0.000) 3.953 0.956 ( 0.000 1.105 0.000) 1.105 0.983 ( 0.000 2.367 0.000) 2.367 0.997 ( 0.000 -0.087 0.000) 0.087 1.032 ( 0.000 0.249 0.000) 0.249 1.037 ( 0.000 2.318 0.000) 2.318 1.066 ( 0.000 2.768 0.000) 2.768 1.097 ( 0.000 1.137 0.000) 1.137 1.112 ( 0.000 -1.801 0.000) 1.801 1.117 ( 0.000 -1.032 0.000) 1.032 1.147 ( 0.000 0.523 0.000) 0.523 1.151 ( 0.000 2.371 0.000) 2.371 1.195 ( 0.000 1.268 0.000) 1.268 1.236 ( 0.000 -1.622 0.000) 1.622 1.255 ( 0.000 -1.584 0.000) 1.584 1.309 ( 0.000 0.818 0.000) 0.818 1.316 ( 0.000 0.770 0.000) 0.770 1.325 ( 0.000 0.500 0.000) 0.500 1.331 ( 0.000 0.132 0.000) 0.132 1.337 ( 0.000 -0.441 0.000) 0.441 1.362 ( 0.000 -0.650 0.000) 0.650 1.375 ( 0.000 -0.900 0.000) 0.900 1.437 ( 0.000 -1.956 0.000) 1.956 1.448 ( 0.000 0.297 0.000) 0.297 1.465 ( 0.000 -0.238 0.000) 0.238 1.494 ( 0.000 1.180 0.000) 1.180 1.498 ( 0.000 1.701 0.000) 1.701 1.521 ( 0.000 0.639 0.000) 0.639 1.569 ( 0.000 0.206 0.000) 0.206 1.608 ( 0.000 1.049 0.000) 1.049 1.664 ( 0.000 -1.002 0.000) 1.002 1.694 ( 0.000 -2.045 0.000) 2.045 1.747 ( 0.000 -2.365 0.000) 2.365 1.856 ( 0.000 0.161 0.000) 0.161 1.875 ( 0.000 0.030 0.000) 0.030 1.902 ( 0.000 0.097 0.000) 0.097 1.903 ( 0.000 -0.011 0.000) 0.011 1.932 ( 0.000 0.652 0.000) 0.652 1.999 ( 0.000 -1.010 0.000) 1.010 2.020 ( 0.000 0.594 0.000) 0.594 2.052 ( 0.000 0.328 0.000) 0.328 2.078 ( 0.000 0.027 0.000) 0.027 2.091 ( 0.000 -0.653 0.000) 0.653 2.173 ( 0.000 0.006 0.000) 0.006 2.200 ( 0.000 -0.501 0.000) 0.501 2.254 ( 0.000 0.838 0.000) 0.838 2.295 ( 0.000 -0.178 0.000) 0.178 2.515 ( 0.000 0.807 0.000) 0.807 2.551 ( 0.000 -0.375 0.000) 0.375 2.557 ( 0.000 -0.939 0.000) 0.939 2.573 ( 0.000 -1.155 0.000) 1.155 2.593 ( 0.000 0.489 0.000) 0.489 2.601 ( 0.000 -0.098 0.000) 0.098 2.609 ( 0.000 -0.310 0.000) 0.310 2.633 ( 0.000 0.009 0.000) 0.009 2.646 ( 0.000 -0.117 0.000) 0.117 2.666 ( 0.000 1.345 0.000) 1.345 2.670 ( 0.000 0.119 0.000) 0.119 2.767 ( 0.000 -1.560 0.000) 1.560 2.798 ( 0.000 0.763 0.000) 0.763 2.804 ( 0.000 0.985 0.000) 0.985 2.813 ( 0.000 0.572 0.000) 0.572 2.840 ( 0.000 -0.041 0.000) 0.041 2.894 ( 0.000 0.077 0.000) 0.077 2.917 ( 0.000 -0.394 0.000) 0.394 2.951 ( 0.000 0.759 0.000) 0.759 3.007 ( 0.000 -0.282 0.000) 0.282 3.037 ( 0.000 -0.040 0.000) 0.040 3.043 ( 0.000 -0.336 0.000) 0.336 3.186 ( 0.000 0.453 0.000) 0.453 3.213 ( 0.000 0.719 0.000) 0.719 3.219 ( 0.000 -0.347 0.000) 0.347 3.249 ( 0.000 -0.146 0.000) 0.146 5.368 ( 0.000 0.196 0.000) 0.196 5.389 ( 0.000 -0.419 0.000) 0.419 5.407 ( 0.000 0.260 0.000) 0.260 5.413 ( 0.000 -0.017 0.000) 0.017 5.576 ( 0.000 0.472 0.000) 0.472 5.598 ( 0.000 0.027 0.000) 0.027 5.601 ( 0.000 -0.179 0.000) 0.179 5.603 ( 0.000 -0.095 0.000) 0.095 5.699 ( 0.000 0.234 0.000) 0.234 5.724 ( 0.000 -0.405 0.000) 0.405 5.830 ( 0.000 -0.249 0.000) 0.249 5.840 ( 0.000 -0.396 0.000) 0.396 5.851 ( 0.000 0.668 0.000) 0.668 5.867 ( 0.000 0.163 0.000) 0.163 6.239 ( 0.000 -0.759 0.000) 0.759 6.243 ( 0.000 -0.860 0.000) 0.860 6.278 ( 0.000 0.995 0.000) 0.995 6.282 ( 0.000 0.917 0.000) 0.917 6.367 ( 0.000 -0.024 0.000) 0.024 6.382 ( 0.000 -0.439 0.000) 0.439 6.970 ( 0.000 0.016 0.000) 0.016 6.988 ( 0.000 -0.449 0.000) 0.449 7.093 ( 0.000 0.380 0.000) 0.380 7.111 ( 0.000 -0.030 0.000) 0.030 8.114 ( 0.000 0.402 0.000) 0.402 8.136 ( 0.000 0.677 0.000) 0.677 8.139 ( 0.000 -0.051 0.000) 0.051 8.161 ( 0.000 1.221 0.000) 1.221 8.172 ( 0.000 -0.338 0.000) 0.338 8.210 ( 0.000 -0.349 0.000) 0.349 8.266 ( 0.000 0.162 0.000) 0.162 8.329 ( 0.000 -1.117 0.000) 1.117 8.825 ( 0.000 0.168 0.000) 0.168 8.843 ( 0.000 -0.250 0.000) 0.250 8.946 ( 0.000 0.210 0.000) 0.210 8.985 ( 0.000 -0.862 0.000) 0.862 9.109 ( 0.000 0.477 0.000) 0.477 9.154 ( 0.000 -0.772 0.000) 0.772 9.264 ( 0.000 0.898 0.000) 0.898 9.330 ( 0.000 -0.895 0.000) 0.895======================= Grid point 6 (5/33) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 51Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.198 ( 8.545 2.132 0.117) 8.808 0.243 ( 5.091 5.296 2.395) 7.727 0.413 ( 9.140 3.263 -0.261) 9.709 0.496 ( 2.799 -2.716 -1.129) 4.060 0.537 ( -0.709 -3.966 0.913) 4.131 0.559 ( 2.755 -2.521 1.783) 4.138 0.620 ( 1.466 -4.082 1.413) 4.562 0.674 ( -1.170 1.184 -1.132) 2.013 0.678 ( -0.626 -0.908 -0.788) 1.355 0.692 ( -0.481 -0.365 -1.913) 2.006 0.738 ( -1.028 0.365 0.269) 1.124 0.766 ( 0.003 0.919 1.505) 1.764 0.784 ( -1.000 -0.917 -2.736) 3.054 0.802 ( -1.296 0.182 0.019) 1.308 0.818 ( -0.647 -0.901 1.649) 1.987 0.826 ( -1.441 0.509 1.180) 1.931 0.872 ( -1.525 -0.650 0.179) 1.668 0.898 ( -1.645 0.051 0.758) 1.812 0.922 ( 0.391 -2.711 0.828) 2.861 0.932 ( -1.753 2.205 0.522) 2.865 0.943 ( -1.001 0.397 -0.507) 1.190 0.974 ( 0.310 1.235 0.771) 1.489 0.988 ( 0.156 -0.890 -0.703) 1.145 1.025 ( 1.090 1.642 -1.541) 2.502 1.072 ( 0.688 1.935 1.499) 2.542 1.082 ( -0.474 0.902 0.356) 1.080 1.089 ( 1.883 1.959 -1.527) 3.117 1.108 ( -1.239 -0.775 0.618) 1.586 1.142 ( 0.896 -0.320 -0.963) 1.353 1.149 ( -0.596 -0.711 -0.671) 1.145 1.153 ( 1.064 0.704 -0.344) 1.321 1.190 ( 1.797 1.835 -0.377) 2.596 1.233 ( -1.397 -0.945 -0.493) 1.757 1.248 ( 0.529 -1.260 1.649) 2.141 1.279 ( -2.758 0.050 0.073) 2.759 1.298 ( -1.615 0.273 0.640) 1.758 1.327 ( 0.716 -0.234 -0.284) 0.805 1.341 ( 0.970 0.316 0.012) 1.021 1.348 ( 1.745 0.878 -0.069) 1.955 1.370 ( 0.174 -0.158 -1.018) 1.045 1.391 ( 1.249 -0.353 0.981) 1.627 1.432 ( 0.003 -1.337 0.114) 1.342 1.450 ( 0.361 -0.054 -0.492) 0.612 1.476 ( 0.095 -1.132 -0.547) 1.260 1.477 ( -1.470 1.797 0.012) 2.321 1.521 ( 1.710 0.972 -0.118) 1.970 1.545 ( 1.481 0.296 0.030) 1.511 1.574 ( -0.245 0.191 -0.104) 0.328 1.612 ( 0.421 0.233 -0.762) 0.901 1.639 ( -0.752 0.233 1.435) 1.637 1.726 ( 1.875 -2.058 0.592) 2.846 1.740 ( -0.450 -1.913 -0.802) 2.122 1.845 ( -0.780 0.427 -0.418) 0.983 1.875 ( -0.167 -0.323 0.896) 0.967 1.886 ( -1.147 -0.220 -0.274) 1.200 1.905 ( -0.564 0.175 -0.317) 0.670 1.937 ( 0.380 0.354 0.762) 0.922 1.980 ( -1.528 0.416 -1.399) 2.113 2.010 ( -1.256 -0.602 -1.724) 2.217 2.039 ( -0.023 0.292 0.089) 0.306 2.079 ( -0.265 -0.112 -0.052) 0.292 2.102 ( 0.378 -1.658 0.802) 1.880 2.177 ( 0.771 0.521 0.801) 1.228 2.205 ( 0.601 -0.464 -1.885) 2.032 2.249 ( -0.207 0.390 0.106) 0.454 2.277 ( -1.639 -0.227 0.023) 1.655 2.504 ( -0.276 0.087 0.307) 0.422 2.521 ( -0.564 0.084 -0.135) 0.586 2.560 ( -0.096 -1.058 -0.736) 1.292 2.563 ( -0.940 -0.409 0.410) 1.104 2.596 ( -0.280 0.224 0.456) 0.580 2.609 ( -0.522 0.239 -0.072) 0.579 2.614 ( 0.169 0.022 -0.872) 0.888 2.632 ( -0.280 1.213 -0.804) 1.481 2.653 ( -0.346 1.216 -0.388) 1.322 2.674 ( 0.699 -0.448 -0.439) 0.939 2.714 ( 1.366 -1.352 0.981) 2.158 2.782 ( -0.222 -1.810 -0.881) 2.025 2.787 ( -0.900 0.903 -0.812) 1.512 2.809 ( 0.721 0.731 1.124) 1.523 2.826 ( -1.075 0.046 -1.267) 1.662 2.845 ( -0.051 -0.241 3.619) 3.627 2.906 ( 0.208 -0.216 1.132) 1.171 2.913 ( 1.507 -0.660 -1.250) 2.066 2.941 ( 0.352 1.190 -1.388) 1.862 3.013 ( -1.218 -0.733 -1.513) 2.076 3.041 ( 0.091 -0.112 0.484) 0.505 3.044 ( 1.260 -0.101 0.907) 1.556 3.198 ( 0.566 -0.739 -0.452) 1.035 3.219 ( 0.577 0.333 0.420) 0.788 3.227 ( 0.607 -0.603 0.018) 0.856 3.245 ( -0.321 -0.006 0.419) 0.527 5.390 ( 1.752 0.434 0.429) 1.855 5.421 ( 1.790 -0.283 -1.025) 2.082 5.430 ( 1.588 -0.107 -0.102) 1.595 5.466 ( 2.089 -1.628 0.231) 2.659 5.583 ( 0.691 0.503 -0.192) 0.876 5.590 ( 0.611 0.797 0.127) 1.013 5.612 ( 0.956 -0.196 -0.625) 1.159 5.658 ( 2.019 -1.976 -0.583) 2.884 5.693 ( -0.304 0.261 -0.179) 0.439 5.722 ( -0.601 -1.202 0.448) 1.417 5.844 ( 0.670 -0.469 0.399) 0.910 5.853 ( 0.480 -0.311 -0.169) 0.596 5.877 ( 2.305 0.039 0.177) 2.312 5.880 ( 1.779 0.101 0.204) 1.794 6.236 ( 0.074 0.306 1.235) 1.274 6.264 ( 0.670 -0.155 0.063) 0.690 6.272 ( -0.179 0.466 -0.213) 0.543 6.320 ( -2.418 -0.376 0.138) 2.451 6.345 ( -3.101 -0.549 -1.120) 3.342 6.462 ( 8.503 -8.684 -1.173) 12.210 6.980 ( 0.962 0.199 0.332) 1.037 7.003 ( 0.941 -0.796 1.683) 2.086 7.090 ( -0.172 0.234 -0.572) 0.642 7.108 ( -0.533 0.075 0.207) 0.576 8.103 ( -1.778 2.091 1.504) 3.129 8.109 ( -0.578 0.784 -1.330) 1.649 8.132 ( 0.086 0.797 -0.426) 0.908 8.163 ( -0.851 0.171 -1.186) 1.469 8.185 ( 0.806 -0.407 -2.532) 2.688 8.203 ( -0.414 -0.246 -0.241) 0.538 8.230 ( 0.152 2.274 0.464) 2.326 8.329 ( -0.299 -0.826 1.026) 1.351 8.828 ( 0.073 0.894 0.248) 0.931 8.840 ( 0.654 1.059 -0.833) 1.498 8.923 ( -1.231 -0.323 2.022) 2.390 8.966 ( -1.600 -0.663 -0.357) 1.768 9.113 ( -0.257 0.092 2.413) 2.429 9.149 ( -0.360 -0.742 -0.094) 0.830 9.258 ( -0.394 0.968 0.339) 1.099 9.317 ( -1.206 -0.756 -0.147) 1.431======================= Grid point 7 (6/33) =======================q-point: ( 0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 51Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.343 ( 5.895 -1.316 -0.108) 6.041 0.382 ( 6.473 2.279 -0.066) 6.863 0.432 ( -2.377 -3.658 -0.036) 4.363 0.532 ( -1.982 -2.984 2.960) 4.647 0.547 ( 0.382 -1.974 -1.015) 2.252 0.586 ( -2.087 0.194 2.217) 3.051 0.634 ( 0.747 -0.923 -0.117) 1.193 0.663 ( 0.479 -3.949 -0.797) 4.057 0.676 ( 0.189 1.240 -1.128) 1.687 0.692 ( -1.070 1.963 -1.539) 2.714 0.715 ( -3.387 -0.054 1.624) 3.756 0.748 ( 1.174 -2.206 -0.185) 2.506 0.776 ( -0.767 -0.019 -0.973) 1.239 0.808 ( 4.077 0.298 -1.485) 4.349 0.818 ( 0.312 0.699 1.370) 1.569 0.835 ( 0.597 -0.146 0.763) 0.980 0.860 ( 2.877 0.611 0.633) 3.008 0.891 ( -0.571 0.160 -0.368) 0.698 0.903 ( -0.138 -0.497 0.647) 0.828 0.934 ( 0.148 1.251 0.482) 1.349 0.947 ( 0.944 -0.544 -0.305) 1.131 0.983 ( 0.247 -1.246 -0.290) 1.303 0.990 ( -0.107 -0.654 0.061) 0.666 1.024 ( -0.828 0.868 -1.119) 1.640 1.049 ( -3.012 0.084 1.936) 3.581 1.081 ( -0.652 1.281 0.838) 1.664 1.099 ( 0.398 0.742 -1.242) 1.501 1.100 ( -0.784 -0.074 -1.514) 1.706 1.114 ( 0.302 -0.088 -1.052) 1.098 1.141 ( -0.775 -0.394 0.388) 0.952 1.184 ( 0.939 0.373 -0.410) 1.090 1.203 ( -1.051 0.141 0.693) 1.267 1.220 ( -1.044 1.464 -0.336) 1.830 1.224 ( -0.173 0.796 1.236) 1.480 1.278 ( 1.237 -0.048 -0.742) 1.444 1.309 ( 1.494 -0.530 -0.564) 1.683 1.319 ( -0.639 0.343 1.204) 1.406 1.349 ( -0.406 -0.151 0.163) 0.463 1.379 ( 1.123 0.380 -0.417) 1.257 1.389 ( 1.097 0.350 0.030) 1.152 1.419 ( 1.215 -0.439 0.474) 1.376 1.435 ( -0.170 0.720 -0.808) 1.096 1.445 ( -0.408 -0.540 -0.351) 0.762 1.460 ( -0.104 0.712 0.495) 0.873 1.482 ( 0.188 0.217 0.562) 0.631 1.546 ( 0.103 -0.139 -1.001) 1.016 1.551 ( 0.414 0.935 0.852) 1.331 1.579 ( 0.323 0.931 0.364) 1.050 1.616 ( 0.320 -0.152 -0.169) 0.393 1.644 ( 0.440 0.704 0.208) 0.856 1.722 ( -0.517 -1.486 -0.585) 1.679 1.750 ( 0.043 -2.239 -0.292) 2.258 1.833 ( -0.110 0.594 -0.157) 0.624 1.858 ( -1.095 -0.197 -0.501) 1.220 1.874 ( -0.376 -0.216 0.019) 0.434 1.897 ( 0.203 -0.543 -0.127) 0.593 1.946 ( -0.137 0.289 -0.125) 0.343 1.952 ( -0.387 0.733 0.134) 0.840 1.983 ( -0.700 -0.380 0.589) 0.991 2.044 ( 0.116 0.237 0.372) 0.456 2.078 ( 0.172 -0.978 -0.289) 1.034 2.097 ( -0.571 -1.541 -0.337) 1.677 2.195 ( 0.653 -0.383 -0.208) 0.785 2.215 ( 0.606 -0.216 -0.074) 0.647 2.242 ( -1.455 0.280 -0.104) 1.486 2.247 ( -0.092 0.367 -0.055) 0.382 2.501 ( -0.063 -0.364 -0.069) 0.376 2.521 ( 0.281 -0.228 0.070) 0.368 2.546 ( -0.478 -1.912 -0.732) 2.103 2.559 ( 0.128 0.415 0.217) 0.486 2.580 ( -1.168 0.668 -0.526) 1.444 2.593 ( -0.316 0.119 0.604) 0.692 2.611 ( -0.008 2.162 0.120) 2.165 2.635 ( -0.802 2.352 -0.373) 2.513 2.647 ( 0.600 0.262 0.039) 0.655 2.679 ( 0.121 -0.440 -0.495) 0.674 2.731 ( -0.250 -1.452 1.071) 1.822 2.753 ( -1.067 -0.589 -0.536) 1.332 2.767 ( -0.509 1.481 -0.876) 1.794 2.803 ( -0.632 0.204 -0.752) 1.003 2.827 ( 0.571 0.558 0.589) 0.992 2.844 ( -0.161 0.338 1.059) 1.123 2.915 ( 0.882 -0.119 1.581) 1.814 2.939 ( 0.431 0.161 0.319) 0.560 2.967 ( -1.428 -0.478 -1.873) 2.403 2.973 ( 1.463 -0.560 -0.673) 1.705 3.034 ( -0.757 0.212 -0.067) 0.789 3.072 ( 0.846 -0.475 0.320) 1.022 3.198 ( -0.132 -0.301 -0.226) 0.399 3.225 ( -0.460 -0.447 0.291) 0.704 3.232 ( 0.428 0.280 0.129) 0.528 3.253 ( 0.500 -0.571 0.288) 0.812 5.419 ( 0.805 0.577 0.157) 1.003 5.448 ( 0.879 -0.279 -0.449) 1.026 5.457 ( 0.783 -0.048 0.080) 0.788 5.487 ( 0.440 -0.498 -0.044) 0.665 5.598 ( 0.660 0.401 -0.258) 0.814 5.608 ( 0.755 0.775 0.153) 1.093 5.631 ( 0.761 -0.389 -0.436) 0.959 5.676 ( 0.248 -0.855 0.002) 0.890 5.691 ( 0.082 0.119 -0.107) 0.180 5.710 ( -0.442 -0.623 0.117) 0.772 5.851 ( 0.052 -0.119 0.179) 0.221 5.856 ( 0.038 -0.167 -0.068) 0.184 5.922 ( 1.614 -0.035 0.139) 1.620 5.927 ( 1.950 -0.076 0.007) 1.952 6.230 ( -1.651 -0.255 0.226) 1.685 6.246 ( -0.418 -0.045 0.624) 0.752 6.274 ( -0.521 -0.172 -0.178) 0.577 6.277 ( -1.841 -0.055 -0.943) 2.070 6.303 ( 0.315 1.424 0.151) 1.466 6.558 ( 2.025 -6.799 -0.347) 7.102 7.000 ( 0.644 0.138 0.270) 0.712 7.023 ( 0.538 -0.666 0.807) 1.177 7.086 ( -0.027 -0.067 -0.531) 0.536 7.095 ( -0.551 0.364 0.086) 0.666 8.090 ( -0.216 1.221 0.310) 1.278 8.093 ( -0.309 1.580 -0.738) 1.771 8.139 ( 0.406 0.361 0.019) 0.544 8.148 ( -0.383 0.205 -0.213) 0.484 8.186 ( 0.102 -0.977 -0.870) 1.312 8.192 ( -0.359 -1.085 -0.192) 1.159 8.253 ( 0.993 1.700 0.175) 1.976 8.323 ( -0.516 -0.450 0.823) 1.070 8.832 ( 0.223 1.189 0.001) 1.210 8.855 ( 0.639 1.122 -0.189) 1.305 8.909 ( -0.628 -1.421 0.515) 1.636 8.939 ( -0.730 -0.308 -0.081) 0.797 9.113 ( -0.150 0.139 0.779) 0.805 9.142 ( -0.213 -0.696 -0.010) 0.728 9.254 ( -0.024 0.557 0.237) 0.606 9.292 ( -0.885 -0.503 -0.153) 1.029======================= Grid point 10 (7/33) =======================q-point: ( 0.00 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 33Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.194 ( 0.000 7.960 0.000) 7.960 0.348 ( 0.000 -8.291 0.000) 8.291 0.357 ( 0.000 8.236 0.000) 8.236 0.429 ( 0.000 5.968 0.000) 5.968 0.487 ( 0.000 -4.484 0.000) 4.484 0.487 ( 0.000 -3.167 0.000) 3.167 0.529 ( 0.000 1.501 0.000) 1.501 0.619 ( 0.000 -5.374 0.000) 5.374 0.707 ( 0.000 1.213 0.000) 1.213 0.710 ( 0.000 1.819 0.000) 1.819 0.744 ( 0.000 -0.446 0.000) 0.446 0.770 ( 0.000 -2.053 0.000) 2.053 0.788 ( 0.000 0.198 0.000) 0.198 0.797 ( 0.000 -1.511 0.000) 1.511 0.834 ( 0.000 -0.154 0.000) 0.154 0.845 ( 0.000 -1.480 0.000) 1.480 0.856 ( 0.000 1.427 0.000) 1.427 0.883 ( 0.000 -1.796 0.000) 1.796 0.940 ( 0.000 0.943 0.000) 0.943 0.940 ( 0.000 0.738 0.000) 0.738 0.977 ( 0.000 1.479 0.000) 1.479 1.001 ( 0.000 -0.387 0.000) 0.387 1.018 ( 0.000 1.359 0.000) 1.359 1.030 ( 0.000 -0.302 0.000) 0.302 1.071 ( 0.000 -0.282 0.000) 0.282 1.088 ( 0.000 -1.736 0.000) 1.736 1.093 ( 0.000 2.217 0.000) 2.217 1.111 ( 0.000 0.264 0.000) 0.264 1.140 ( 0.000 3.911 0.000) 3.911 1.157 ( 0.000 0.590 0.000) 0.590 1.170 ( 0.000 -0.563 0.000) 0.563 1.209 ( 0.000 -2.932 0.000) 2.932 1.213 ( 0.000 0.547 0.000) 0.547 1.220 ( 0.000 -0.598 0.000) 0.598 1.321 ( 0.000 0.306 0.000) 0.306 1.323 ( 0.000 -0.042 0.000) 0.042 1.336 ( 0.000 0.211 0.000) 0.211 1.337 ( 0.000 0.382 0.000) 0.382 1.339 ( 0.000 0.878 0.000) 0.878 1.353 ( 0.000 -0.334 0.000) 0.334 1.362 ( 0.000 0.186 0.000) 0.186 1.394 ( 0.000 -2.426 0.000) 2.426 1.452 ( 0.000 0.133 0.000) 0.133 1.457 ( 0.000 -0.445 0.000) 0.445 1.517 ( 0.000 1.229 0.000) 1.229 1.530 ( 0.000 0.016 0.000) 0.016 1.539 ( 0.000 2.183 0.000) 2.183 1.566 ( 0.000 -0.726 0.000) 0.726 1.637 ( 0.000 1.327 0.000) 1.327 1.649 ( 0.000 0.478 0.000) 0.478 1.655 ( 0.000 -1.811 0.000) 1.811 1.694 ( 0.000 -3.038 0.000) 3.038 1.861 ( 0.000 0.386 0.000) 0.386 1.870 ( 0.000 -0.506 0.000) 0.506 1.904 ( 0.000 0.071 0.000) 0.071 1.904 ( 0.000 0.071 0.000) 0.071 1.951 ( 0.000 1.274 0.000) 1.274 1.976 ( 0.000 -1.397 0.000) 1.397 2.035 ( 0.000 0.919 0.000) 0.919 2.050 ( 0.000 -0.611 0.000) 0.611 2.079 ( 0.000 0.077 0.000) 0.077 2.082 ( 0.000 -0.232 0.000) 0.232 2.177 ( 0.000 0.468 0.000) 0.468 2.188 ( 0.000 -0.696 0.000) 0.696 2.271 ( 0.000 0.987 0.000) 0.987 2.287 ( 0.000 -0.668 0.000) 0.668 2.532 ( 0.000 0.961 0.000) 0.961 2.544 ( 0.000 -0.388 0.000) 0.388 2.545 ( 0.000 -0.254 0.000) 0.254 2.553 ( 0.000 -0.949 0.000) 0.949 2.598 ( 0.000 -0.050 0.000) 0.050 2.598 ( 0.000 0.031 0.000) 0.031 2.609 ( 0.000 0.387 0.000) 0.387 2.621 ( 0.000 -0.887 0.000) 0.887 2.655 ( 0.000 0.749 0.000) 0.749 2.667 ( 0.000 -0.486 0.000) 0.486 2.698 ( 0.000 1.950 0.000) 1.950 2.734 ( 0.000 -1.925 0.000) 1.925 2.813 ( 0.000 0.654 0.000) 0.654 2.819 ( 0.000 0.039 0.000) 0.039 2.823 ( 0.000 0.965 0.000) 0.965 2.836 ( 0.000 -0.448 0.000) 0.448 2.897 ( 0.000 0.303 0.000) 0.303 2.906 ( 0.000 -0.638 0.000) 0.638 2.972 ( 0.000 1.366 0.000) 1.366 2.995 ( 0.000 -1.031 0.000) 1.031 3.036 ( 0.000 -0.013 0.000) 0.013 3.038 ( 0.000 -0.168 0.000) 0.168 3.197 ( 0.000 0.693 0.000) 0.693 3.210 ( 0.000 -0.629 0.000) 0.629 3.229 ( 0.000 0.914 0.000) 0.914 3.243 ( 0.000 -0.561 0.000) 0.561 5.373 ( 0.000 0.360 0.000) 0.360 5.380 ( 0.000 -0.444 0.000) 0.444 5.411 ( 0.000 0.168 0.000) 0.168 5.413 ( 0.000 -0.072 0.000) 0.072 5.587 ( 0.000 0.593 0.000) 0.593 5.596 ( 0.000 -0.392 0.000) 0.392 5.599 ( 0.000 0.072 0.000) 0.072 5.601 ( 0.000 -0.133 0.000) 0.133 5.705 ( 0.000 0.443 0.000) 0.443 5.714 ( 0.000 -0.545 0.000) 0.545 5.829 ( 0.000 0.073 0.000) 0.073 5.833 ( 0.000 -0.329 0.000) 0.329 5.862 ( 0.000 0.479 0.000) 0.479 5.868 ( 0.000 -0.112 0.000) 0.112 6.230 ( 0.000 -0.240 0.000) 0.240 6.231 ( 0.000 -0.378 0.000) 0.378 6.292 ( 0.000 0.506 0.000) 0.506 6.294 ( 0.000 0.337 0.000) 0.337 6.368 ( 0.000 0.133 0.000) 0.133 6.373 ( 0.000 -0.464 0.000) 0.464 6.972 ( 0.000 0.236 0.000) 0.236 6.978 ( 0.000 -0.496 0.000) 0.496 7.102 ( 0.000 0.465 0.000) 0.465 7.109 ( 0.000 -0.253 0.000) 0.253 8.125 ( 0.000 0.670 0.000) 0.670 8.135 ( 0.000 -0.410 0.000) 0.410 8.150 ( 0.000 0.813 0.000) 0.813 8.163 ( 0.000 -0.607 0.000) 0.607 8.185 ( 0.000 1.191 0.000) 1.191 8.202 ( 0.000 -0.622 0.000) 0.622 8.276 ( 0.000 0.989 0.000) 0.989 8.302 ( 0.000 -1.657 0.000) 1.657 8.830 ( 0.000 0.345 0.000) 0.345 8.837 ( 0.000 -0.399 0.000) 0.399 8.953 ( 0.000 0.572 0.000) 0.572 8.967 ( 0.000 -0.962 0.000) 0.962 9.121 ( 0.000 0.797 0.000) 0.797 9.137 ( 0.000 -0.953 0.000) 0.953 9.285 ( 0.000 1.283 0.000) 1.283 9.309 ( 0.000 -1.309 0.000) 1.309======================= Grid point 11 (8/33) =======================q-point: ( 0.20 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 51Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.272 ( 6.024 5.836 0.633) 8.411 0.359 ( -0.304 6.222 3.394) 7.094 0.395 ( 3.028 -6.574 1.270) 7.348 0.431 ( -1.085 -1.666 2.720) 3.369 0.482 ( 1.288 -1.457 -0.992) 2.183 0.523 ( 1.548 -5.320 0.391) 5.554 0.581 ( 5.641 3.766 -1.237) 6.894 0.645 ( 1.762 -2.672 -1.721) 3.634 0.690 ( -0.589 0.787 -1.903) 2.142 0.698 ( -1.416 0.291 -1.533) 2.107 0.733 ( -1.213 -0.215 -0.756) 1.445 0.751 ( -0.834 -1.980 -2.029) 2.956 0.780 ( -0.145 0.628 -0.414) 0.766 0.799 ( -0.329 -1.127 -0.955) 1.513 0.825 ( -0.571 1.439 1.537) 2.182 0.843 ( 0.194 0.257 1.103) 1.149 0.858 ( -0.222 -0.295 3.162) 3.184 0.874 ( -0.700 -1.468 2.152) 2.698 0.914 ( -0.894 1.890 -0.219) 2.102 0.946 ( 0.370 -0.570 0.265) 0.730 0.966 ( -1.901 1.105 1.035) 2.430 0.989 ( -0.638 0.634 -0.452) 1.006 1.009 ( -1.037 1.333 0.368) 1.729 1.030 ( -0.100 -0.238 0.180) 0.315 1.066 ( -0.980 -1.301 -0.562) 1.723 1.086 ( -0.912 -1.589 0.071) 1.833 1.106 ( 0.067 1.236 1.107) 1.661 1.115 ( 0.026 -0.179 -0.348) 0.392 1.147 ( -0.001 2.314 -0.647) 2.403 1.159 ( 1.161 1.070 -0.503) 1.657 1.162 ( -0.167 -0.052 -1.143) 1.156 1.201 ( -0.379 -2.071 0.105) 2.108 1.224 ( 1.800 1.100 -0.869) 2.281 1.237 ( 2.150 -0.254 -0.253) 2.179 1.283 ( -2.585 0.486 0.243) 2.642 1.295 ( -2.093 -0.616 0.576) 2.256 1.329 ( 0.004 0.721 -1.137) 1.347 1.343 ( 0.034 -0.319 0.693) 0.764 1.361 ( 1.572 0.209 0.816) 1.784 1.365 ( 1.341 -0.388 -1.581) 2.109 1.391 ( 1.487 0.634 0.740) 1.778 1.408 ( 1.535 -1.062 0.175) 1.875 1.449 ( 0.194 0.060 -0.347) 0.402 1.457 ( 0.209 -0.811 0.209) 0.863 1.518 ( -1.530 2.287 -0.397) 2.780 1.541 ( 1.616 1.010 0.555) 1.985 1.548 ( 0.308 -0.315 0.127) 0.458 1.561 ( 0.373 -1.258 -0.181) 1.324 1.636 ( 0.103 1.934 -0.509) 2.002 1.647 ( 0.283 0.694 0.552) 0.931 1.685 ( 1.682 -1.891 0.794) 2.652 1.696 ( 0.161 -2.515 -0.518) 2.573 1.854 ( -0.585 0.511 -0.126) 0.787 1.865 ( -0.558 -0.641 0.112) 0.857 1.888 ( -0.945 0.530 -0.026) 1.084 1.900 ( -0.593 -0.572 -0.091) 0.829 1.953 ( -0.071 1.137 0.350) 1.192 1.975 ( -0.489 -1.063 -0.419) 1.243 2.013 ( -1.465 0.963 -1.519) 2.320 2.034 ( -0.538 -0.983 -0.749) 1.348 2.076 ( -0.650 0.070 0.094) 0.661 2.083 ( -0.231 -0.557 0.547) 0.815 2.187 ( 0.800 0.595 0.228) 1.023 2.197 ( 0.801 -0.462 -0.651) 1.131 2.259 ( -0.746 0.583 -0.043) 0.948 2.270 ( -1.375 -0.565 -0.109) 1.491 2.514 ( -0.833 0.787 -0.078) 1.149 2.524 ( -0.652 0.193 -0.803) 1.052 2.540 ( -0.847 -0.543 0.079) 1.009 2.552 ( -0.450 -0.984 0.785) 1.337 2.602 ( 0.113 0.356 0.156) 0.405 2.608 ( -0.250 -0.272 -0.407) 0.550 2.621 ( 1.178 0.774 -0.968) 1.710 2.639 ( 1.342 -0.958 -1.043) 1.952 2.667 ( 0.561 1.042 0.407) 1.251 2.681 ( 0.793 -0.030 0.791) 1.120 2.703 ( -0.088 1.084 0.345) 1.141 2.741 ( 0.362 -2.376 -0.841) 2.547 2.809 ( -0.782 1.095 -1.164) 1.778 2.823 ( -0.770 -0.374 -1.165) 1.446 2.825 ( 0.657 0.850 1.181) 1.596 2.839 ( 0.933 -0.526 1.957) 2.231 2.903 ( 0.528 -0.083 1.162) 1.279 2.905 ( 0.330 -0.277 0.764) 0.877 2.967 ( -0.181 1.524 -1.518) 2.159 2.994 ( -0.680 -1.317 -1.576) 2.163 3.039 ( 0.172 0.015 0.615) 0.639 3.041 ( 0.662 -0.171 0.830) 1.076 3.197 ( 0.043 0.535 0.373) 0.653 3.211 ( 0.067 -0.829 0.571) 1.009 3.232 ( 0.284 0.608 -0.264) 0.721 3.241 ( -0.066 -0.351 -0.002) 0.358 5.401 ( 2.077 0.639 0.018) 2.173 5.412 ( 2.063 -0.583 -0.744) 2.269 5.431 ( 1.730 0.303 -0.019) 1.756 5.442 ( 2.263 -0.892 0.499) 2.483 5.595 ( 0.744 0.743 -0.566) 1.195 5.604 ( 0.867 0.699 0.044) 1.114 5.607 ( 0.793 -0.323 -0.359) 0.928 5.624 ( 1.901 -1.448 0.392) 2.422 5.699 ( -0.426 0.358 -0.029) 0.557 5.707 ( -0.576 -0.570 0.197) 0.834 5.841 ( 0.765 0.101 -0.013) 0.772 5.846 ( 0.702 -0.372 -0.162) 0.810 5.880 ( 1.850 0.153 0.115) 1.859 5.881 ( 1.628 -0.004 0.162) 1.636 6.242 ( 0.736 0.441 0.969) 1.295 6.254 ( 0.944 -0.756 0.510) 1.313 6.288 ( -0.982 1.128 0.498) 1.576 6.309 ( -0.849 -0.976 1.104) 1.701 6.343 ( -1.580 0.609 -1.644) 2.360 6.370 ( 2.545 -2.547 -1.061) 3.754 6.985 ( 1.056 0.309 0.402) 1.172 6.992 ( 1.051 -0.476 0.650) 1.324 7.097 ( -0.402 0.463 -0.282) 0.676 7.105 ( -0.424 -0.346 0.000) 0.547 8.120 ( -0.411 0.666 -0.689) 1.042 8.126 ( -0.558 0.226 0.470) 0.764 8.147 ( -0.170 0.763 -0.080) 0.786 8.160 ( -0.389 -0.490 -0.204) 0.658 8.181 ( -0.489 0.309 -1.900) 1.986 8.193 ( -0.656 -0.714 -0.657) 1.171 8.271 ( 0.113 2.057 0.893) 2.245 8.306 ( 0.111 -1.651 0.983) 1.925 8.839 ( 0.697 0.552 0.367) 0.962 8.848 ( 0.981 -0.280 -0.018) 1.021 8.929 ( -1.789 0.912 0.125) 2.012 8.949 ( -1.471 -1.089 -0.242) 1.847 9.120 ( -0.192 0.602 0.735) 0.969 9.134 ( -0.297 -0.839 0.102) 0.896 9.277 ( -0.659 1.146 0.155) 1.331 9.299 ( -0.945 -1.131 -0.022) 1.474======================= Grid point 12 (9/33) =======================q-point: ( 0.40 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 51Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.325 ( 0.340 1.043 0.519) 1.213 0.382 ( -0.882 -3.451 0.426) 3.588 0.445 ( 5.071 4.118 1.784) 6.772 0.474 ( 0.311 -1.446 1.579) 2.164 0.500 ( -0.353 -2.106 -1.471) 2.593 0.550 ( 3.926 -5.065 1.417) 6.563 0.615 ( -1.569 0.362 -0.640) 1.733 0.627 ( 0.141 -0.268 -0.810) 0.865 0.670 ( -2.351 0.118 -1.429) 2.754 0.694 ( -2.635 -1.543 -1.855) 3.573 0.718 ( -0.871 0.258 0.705) 1.150 0.726 ( 0.108 -0.519 -0.306) 0.612 0.804 ( -1.149 1.441 0.554) 1.924 0.818 ( 3.651 -0.517 -0.084) 3.689 0.825 ( 1.479 0.670 -0.972) 1.893 0.836 ( 0.778 -0.382 0.530) 1.016 0.862 ( 0.344 0.542 1.474) 1.608 0.882 ( 0.554 -0.254 1.137) 1.290 0.930 ( -1.040 2.301 0.264) 2.539 0.937 ( 1.934 0.469 0.487) 2.049 0.955 ( 0.535 -0.096 -0.663) 0.857 0.979 ( -0.048 0.583 -1.613) 1.716 0.993 ( -1.672 0.981 2.483) 3.150 1.019 ( -0.583 -1.689 -1.647) 2.431 1.031 ( -2.132 -0.459 0.750) 2.306 1.060 ( -0.829 -2.950 0.702) 3.143 1.097 ( -0.692 0.615 -0.151) 0.938 1.105 ( 0.061 0.011 -0.280) 0.286 1.145 ( -0.523 1.642 -0.795) 1.898 1.152 ( -0.678 0.782 -1.015) 1.450 1.184 ( 0.942 -0.073 -0.540) 1.088 1.193 ( -0.249 -0.918 0.154) 0.964 1.246 ( -0.711 1.197 -0.122) 1.397 1.248 ( -0.632 0.985 1.692) 2.057 1.278 ( 1.487 0.157 -0.751) 1.673 1.292 ( 1.906 -1.140 -0.676) 2.321 1.329 ( -0.113 0.696 0.629) 0.945 1.342 ( -0.063 -0.594 0.247) 0.646 1.389 ( 0.760 0.407 -0.164) 0.877 1.392 ( 0.842 -0.009 0.380) 0.924 1.417 ( 1.035 0.419 0.089) 1.120 1.431 ( 0.123 -0.855 -0.159) 0.878 1.455 ( 0.588 1.128 -0.458) 1.352 1.468 ( 0.410 -0.108 -0.032) 0.425 1.497 ( -0.262 1.466 0.495) 1.570 1.528 ( -0.787 -1.600 -0.098) 1.786 1.572 ( 0.912 1.001 0.470) 1.433 1.584 ( 0.716 -0.275 0.555) 0.947 1.639 ( 0.309 2.291 -0.346) 2.337 1.659 ( 0.686 0.805 -0.174) 1.072 1.690 ( -0.350 -1.707 -0.681) 1.871 1.700 ( -0.442 -2.717 -0.273) 2.766 1.844 ( -0.197 0.529 -0.032) 0.565 1.851 ( -0.458 -0.364 -0.085) 0.591 1.877 ( -0.390 0.348 -0.471) 0.703 1.886 ( -0.464 -0.602 -0.097) 0.767 1.948 ( -0.186 0.229 0.020) 0.296 1.956 ( -0.780 -0.561 -0.380) 1.033 1.996 ( -0.188 1.921 1.227) 2.287 2.037 ( 0.432 -2.043 1.668) 2.673 2.059 ( -0.605 0.243 -1.572) 1.702 2.073 ( -0.444 -0.989 -0.694) 1.287 2.195 ( -0.015 0.417 -0.243) 0.483 2.206 ( 0.055 -0.677 0.002) 0.679 2.249 ( -0.398 0.372 -0.097) 0.553 2.252 ( -0.006 0.091 -0.094) 0.130 2.497 ( -0.578 0.143 -0.281) 0.658 2.511 ( -0.656 -1.364 -0.397) 1.565 2.535 ( 0.486 1.353 0.044) 1.438 2.559 ( 1.181 -0.902 0.250) 1.507 2.590 ( -1.054 0.309 -0.013) 1.099 2.592 ( -1.249 0.149 0.472) 1.343 2.645 ( 1.421 1.215 -1.442) 2.361 2.655 ( 0.464 0.346 -0.247) 0.630 2.672 ( -0.098 0.573 0.620) 0.850 2.685 ( -0.612 2.547 -0.555) 2.677 2.700 ( -0.081 -1.791 1.758) 2.511 2.729 ( -0.697 -1.943 -0.741) 2.193 2.792 ( -0.338 1.054 -0.702) 1.311 2.804 ( -0.496 -0.228 -0.754) 0.930 2.841 ( 0.313 0.779 0.743) 1.121 2.849 ( -0.186 0.020 1.018) 1.035 2.917 ( 0.731 0.458 1.459) 1.695 2.932 ( 0.975 -0.975 1.690) 2.181 2.960 ( -0.395 0.032 -2.616) 2.646 2.965 ( -0.681 -0.385 -1.839) 1.999 3.043 ( -0.041 0.759 0.458) 0.888 3.059 ( 0.541 -0.909 0.512) 1.175 3.198 ( -0.058 0.391 0.195) 0.441 3.211 ( -0.180 -0.901 0.393) 0.999 3.238 ( 0.304 0.356 -0.042) 0.470 3.245 ( 0.260 -0.347 0.000) 0.433 5.431 ( 0.820 0.618 -0.080) 1.030 5.441 ( 0.844 -0.458 -0.362) 1.026 5.461 ( 0.852 0.551 0.117) 1.021 5.475 ( 0.765 -0.810 0.156) 1.125 5.608 ( 0.606 0.693 -0.460) 1.029 5.621 ( 0.711 -0.616 -0.713) 1.180 5.627 ( 0.718 1.233 0.554) 1.531 5.653 ( 0.665 -1.479 0.289) 1.647 5.694 ( -0.047 0.216 -0.045) 0.226 5.700 ( -0.133 -0.437 0.053) 0.460 5.849 ( 0.139 0.038 0.088) 0.169 5.852 ( 0.088 -0.205 -0.016) 0.223 5.923 ( 1.748 0.089 0.047) 1.751 5.925 ( 1.866 -0.142 0.011) 1.872 6.231 ( -2.212 0.279 0.216) 2.240 6.239 ( -1.688 -0.555 0.444) 1.832 6.273 ( -0.168 0.011 -0.262) 0.311 6.274 ( -0.307 -0.144 -0.242) 0.416 6.347 ( 0.960 3.484 -0.002) 3.614 6.434 ( 2.197 -5.964 0.039) 6.356 7.005 ( 0.607 0.370 0.294) 0.769 7.013 ( 0.627 -0.500 0.492) 0.941 7.088 ( -0.256 0.318 -0.323) 0.520 7.095 ( -0.382 -0.297 -0.088) 0.491 8.111 ( -0.211 1.169 -0.297) 1.225 8.120 ( -0.164 0.604 0.146) 0.643 8.146 ( 0.016 0.125 -0.042) 0.133 8.150 ( -0.392 -0.135 -0.229) 0.474 8.167 ( -0.213 -0.204 -0.828) 0.879 8.178 ( -0.538 -0.836 -0.373) 1.062 8.284 ( 0.496 1.553 0.477) 1.699 8.308 ( -0.103 -1.096 0.638) 1.272 8.851 ( 0.378 1.004 0.131) 1.080 8.870 ( 1.098 -0.602 -0.174) 1.264 8.898 ( -1.272 1.128 0.205) 1.712 8.924 ( -0.695 -1.221 -0.074) 1.407 9.118 ( -0.113 0.427 0.345) 0.560 9.129 ( -0.168 -0.698 0.045) 0.720 9.267 ( -0.335 0.726 0.112) 0.807 9.280 ( -0.649 -0.745 -0.038) 0.988======================= Grid point 25 (10/33) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.140 ( 1.244 0.000 7.669) 7.770 0.164 ( -4.749 0.000 9.196) 10.350 0.343 ( -3.021 0.000 16.307) 16.585 0.444 ( 0.483 0.000 -4.191) 4.218 0.538 ( 2.994 0.000 -7.117) 7.721 0.595 ( 1.219 0.000 1.741) 2.126 0.664 ( -1.048 0.000 -0.912) 1.390 0.671 ( 0.815 0.000 1.706) 1.891 0.707 ( -2.975 0.000 0.094) 2.976 0.717 ( -0.368 0.000 1.360) 1.409 0.723 ( 0.559 0.000 0.724) 0.915 0.767 ( 1.717 0.000 0.313) 1.745 0.798 ( -3.171 0.000 -1.052) 3.341 0.819 ( 3.040 0.000 0.857) 3.159 0.869 ( 1.045 0.000 -0.798) 1.315 0.883 ( -2.094 0.000 -0.835) 2.254 0.887 ( 1.034 0.000 -0.421) 1.117 0.891 ( 2.362 0.000 -0.354) 2.388 0.904 ( 1.375 0.000 0.460) 1.450 0.933 ( -1.661 0.000 0.637) 1.779 0.955 ( 0.288 0.000 0.860) 0.907 0.973 ( -1.271 0.000 0.183) 1.284 0.993 ( -0.578 0.000 -0.236) 0.624 1.001 ( 3.801 0.000 -1.423) 4.059 1.026 ( -1.339 0.000 -1.087) 1.724 1.059 ( -1.947 0.000 1.616) 2.530 1.073 ( 0.096 0.000 -1.202) 1.206 1.079 ( 0.527 0.000 1.235) 1.343 1.126 ( -0.687 0.000 0.237) 0.727 1.142 ( -0.579 0.000 -0.851) 1.030 1.155 ( -2.521 0.000 1.381) 2.874 1.163 ( -0.259 0.000 0.956) 0.990 1.245 ( 1.262 0.000 -1.667) 2.090 1.255 ( 0.480 0.000 -1.829) 1.891 1.295 ( -1.445 0.000 -0.499) 1.529 1.296 ( -0.920 0.000 -1.172) 1.490 1.318 ( 1.514 0.000 0.700) 1.668 1.324 ( 2.683 0.000 -1.390) 3.022 1.360 ( 0.170 0.000 0.019) 0.171 1.375 ( -1.495 0.000 0.380) 1.543 1.389 ( 1.464 0.000 0.820) 1.678 1.439 ( -1.062 0.000 -0.807) 1.334 1.466 ( -0.214 0.000 -0.503) 0.546 1.475 ( -2.319 0.000 0.630) 2.402 1.478 ( 0.183 0.000 -0.180) 0.257 1.525 ( -0.097 0.000 1.201) 1.205 1.539 ( -0.311 0.000 -1.688) 1.717 1.565 ( 0.082 0.000 -0.434) 0.441 1.603 ( -0.464 0.000 0.424) 0.628 1.637 ( 1.726 0.000 -1.181) 2.092 1.746 ( 0.122 0.000 0.263) 0.290 1.764 ( -0.906 0.000 -0.560) 1.065 1.857 ( -0.696 0.000 0.553) 0.889 1.876 ( 1.862 0.000 -0.172) 1.870 1.900 ( -0.352 0.000 -0.155) 0.385 1.901 ( -0.858 0.000 -0.213) 0.884 1.937 ( 0.838 0.000 0.519) 0.985 1.978 ( -1.842 0.000 -1.805) 2.579 2.029 ( 1.085 0.000 0.271) 1.119 2.036 ( -2.502 0.000 -0.772) 2.618 2.079 ( -0.181 0.000 0.022) 0.182 2.082 ( 0.992 0.000 0.096) 0.997 2.164 ( 1.057 0.000 0.955) 1.424 2.220 ( -1.823 0.000 -1.595) 2.423 2.261 ( -1.595 0.000 0.832) 1.799 2.290 ( 0.369 0.000 -0.625) 0.726 2.510 ( 1.204 0.000 0.278) 1.236 2.520 ( 0.231 0.000 -0.649) 0.689 2.565 ( -0.939 0.000 0.908) 1.306 2.584 ( -0.578 0.000 -0.003) 0.578 2.591 ( -0.108 0.000 -0.215) 0.241 2.609 ( 3.741 0.000 -0.805) 3.827 2.612 ( -0.846 0.000 0.682) 1.087 2.633 ( 1.734 0.000 -0.675) 1.860 2.636 ( -0.697 0.000 -0.337) 0.775 2.643 ( 0.827 0.000 -1.201) 1.459 2.679 ( -0.968 0.000 0.770) 1.237 2.709 ( -0.171 0.000 -0.608) 0.632 2.783 ( -0.326 0.000 -0.492) 0.591 2.784 ( 0.863 0.000 -0.492) 0.993 2.827 ( 1.186 0.000 1.528) 1.934 2.845 ( -0.961 0.000 0.413) 1.046 2.928 ( -1.530 0.000 0.665) 1.668 2.928 ( 1.117 0.000 0.169) 1.129 3.002 ( -0.080 0.000 -0.651) 0.656 3.003 ( -0.765 0.000 -1.809) 1.964 3.074 ( -0.669 0.000 2.351) 2.444 3.098 ( 0.910 0.000 1.446) 1.709 3.189 ( -0.343 0.000 -0.175) 0.385 3.198 ( 0.148 0.000 -0.667) 0.683 3.238 ( -2.531 0.000 1.283) 2.838 3.255 ( 0.725 0.000 0.349) 0.805 5.360 ( 0.397 0.000 -0.300) 0.498 5.377 ( 0.046 0.000 -1.147) 1.148 5.416 ( -1.257 0.000 1.053) 1.640 5.427 ( 1.462 0.000 0.695) 1.619 5.570 ( 0.027 0.000 0.072) 0.078 5.571 ( 0.124 0.000 -0.015) 0.125 5.605 ( -0.613 0.000 0.110) 0.623 5.606 ( -0.376 0.000 0.102) 0.390 5.697 ( -0.211 0.000 0.338) 0.398 5.724 ( 1.195 0.000 -0.797) 1.437 5.837 ( 0.434 0.000 -0.234) 0.493 5.839 ( -0.005 0.000 -0.200) 0.200 5.854 ( 0.105 0.000 0.482) 0.493 5.863 ( 0.098 0.000 -0.050) 0.110 6.240 ( 1.190 0.000 0.549) 1.310 6.253 ( -0.154 0.000 -0.394) 0.423 6.267 ( -0.495 0.000 1.126) 1.230 6.286 ( 1.033 0.000 1.371) 1.716 6.354 ( -1.753 0.000 -1.278) 2.169 6.373 ( -0.454 0.000 -1.427) 1.497 6.981 ( 0.110 0.000 1.723) 1.726 7.049 ( 1.691 0.000 -0.865) 1.900 7.086 ( -0.639 0.000 -0.066) 0.643 7.106 ( 0.319 0.000 -0.559) 0.643 8.051 ( -0.228 0.000 1.171) 1.193 8.101 ( 0.183 0.000 -1.026) 1.043 8.148 ( -0.565 0.000 0.096) 0.573 8.165 ( -0.993 0.000 -0.562) 1.141 8.188 ( 0.634 0.000 0.900) 1.100 8.211 ( 0.230 0.000 0.266) 0.352 8.300 ( -6.242 0.000 0.248) 6.247 8.331 ( 1.170 0.000 -0.817) 1.426 8.802 ( -0.321 0.000 0.380) 0.498 8.820 ( 0.733 0.000 -0.368) 0.821 8.901 ( 3.101 0.000 1.326) 3.372 8.976 ( -0.398 0.000 -1.859) 1.902 9.181 ( -0.526 0.000 1.842) 1.916 9.240 ( 0.423 0.000 -0.741) 0.853 9.281 ( 2.845 0.000 0.558) 2.899 9.326 ( -0.050 0.000 -1.359) 1.360======================= Grid point 26 (11/33) =======================q-point: ( 0.20 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.257 ( 6.551 0.000 5.029) 8.259 0.264 ( 5.977 0.000 6.386) 8.747 0.446 ( 8.035 0.000 -3.227) 8.659 0.478 ( 5.833 0.000 7.934) 9.847 0.560 ( -0.849 0.000 -6.147) 6.206 0.614 ( -1.943 0.000 -0.175) 1.951 0.648 ( 1.308 0.000 1.136) 1.733 0.669 ( -3.939 0.000 1.817) 4.338 0.676 ( -2.664 0.000 -1.001) 2.846 0.701 ( 1.056 0.000 0.483) 1.161 0.708 ( 2.756 0.000 0.039) 2.757 0.751 ( 1.198 0.000 -1.645) 2.035 0.809 ( -4.847 0.000 -3.779) 6.146 0.810 ( 1.297 0.000 1.725) 2.159 0.841 ( -2.671 0.000 1.797) 3.219 0.876 ( -0.595 0.000 1.822) 1.916 0.883 ( -0.430 0.000 2.064) 2.108 0.906 ( -1.898 0.000 2.159) 2.874 0.912 ( -0.324 0.000 -0.847) 0.907 0.933 ( -1.494 0.000 1.877) 2.399 0.952 ( 0.361 0.000 -1.621) 1.661 0.960 ( 1.470 0.000 -2.478) 2.881 0.979 ( -0.106 0.000 0.192) 0.219 1.016 ( -1.595 0.000 1.648) 2.293 1.018 ( 1.363 0.000 -0.936) 1.654 1.054 ( 0.772 0.000 -3.136) 3.230 1.085 ( 1.586 0.000 -1.201) 1.990 1.092 ( 0.370 0.000 1.134) 1.193 1.128 ( 0.382 0.000 2.018) 2.054 1.136 ( 0.450 0.000 -0.466) 0.648 1.162 ( 0.758 0.000 -0.631) 0.986 1.176 ( 2.450 0.000 -0.303) 2.469 1.237 ( -2.273 0.000 -0.544) 2.337 1.265 ( 0.301 0.000 -1.844) 1.869 1.269 ( -1.123 0.000 -0.981) 1.492 1.274 ( 1.222 0.000 -0.284) 1.254 1.344 ( -1.950 0.000 -0.732) 2.083 1.348 ( 0.140 0.000 -0.262) 0.297 1.351 ( 1.312 0.000 0.620) 1.451 1.356 ( 0.038 0.000 1.895) 1.896 1.405 ( 0.355 0.000 0.228) 0.422 1.423 ( -0.468 0.000 -1.451) 1.524 1.443 ( -0.402 0.000 -0.978) 1.057 1.459 ( -0.165 0.000 -0.481) 0.509 1.494 ( 1.321 0.000 -0.670) 1.481 1.508 ( -0.828 0.000 1.891) 2.064 1.547 ( 1.381 0.000 0.376) 1.432 1.562 ( -0.569 0.000 -0.461) 0.733 1.605 ( 0.785 0.000 -0.273) 0.831 1.649 ( -0.206 0.000 -0.117) 0.237 1.738 ( -0.905 0.000 -1.272) 1.561 1.759 ( 0.754 0.000 0.619) 0.975 1.837 ( -1.047 0.000 -0.174) 1.061 1.869 ( -1.620 0.000 -0.575) 1.719 1.887 ( -0.874 0.000 -0.643) 1.085 1.896 ( 0.262 0.000 0.211) 0.337 1.952 ( -0.907 0.000 -0.717) 1.156 1.963 ( 0.874 0.000 1.887) 2.079 1.996 ( -0.446 0.000 0.119) 0.462 2.042 ( -0.388 0.000 0.233) 0.453 2.081 ( 0.788 0.000 0.252) 0.827 2.120 ( 0.839 0.000 -1.541) 1.755 2.182 ( -0.490 0.000 -0.763) 0.907 2.189 ( 1.027 0.000 1.131) 1.528 2.250 ( -0.377 0.000 0.320) 0.494 2.278 ( -1.487 0.000 -0.203) 1.501 2.508 ( -0.919 0.000 -0.399) 1.002 2.520 ( 0.231 0.000 0.050) 0.236 2.569 ( 0.728 0.000 0.422) 0.841 2.569 ( -0.719 0.000 -0.024) 0.719 2.591 ( -1.784 0.000 -0.879) 1.989 2.594 ( -0.388 0.000 0.045) 0.391 2.605 ( 0.737 0.000 -0.644) 0.979 2.610 ( -0.698 0.000 -0.349) 0.781 2.632 ( -0.985 0.000 0.274) 1.023 2.678 ( 0.635 0.000 0.239) 0.678 2.724 ( 1.476 0.000 -0.451) 1.543 2.737 ( 1.335 0.000 -1.894) 2.317 2.778 ( -0.686 0.000 -1.173) 1.359 2.804 ( 0.090 0.000 -0.817) 0.822 2.823 ( -0.430 0.000 0.694) 0.817 2.881 ( 1.932 0.000 0.295) 1.955 2.903 ( -0.410 0.000 -1.381) 1.441 2.931 ( -0.325 0.000 1.268) 1.309 2.964 ( -0.727 0.000 3.163) 3.245 3.004 ( -0.916 0.000 -0.793) 1.212 3.065 ( 0.118 0.000 1.416) 1.421 3.071 ( -2.226 0.000 2.011) 3.000 3.188 ( 0.407 0.000 -0.144) 0.432 3.207 ( 0.770 0.000 -0.848) 1.145 3.245 ( 1.346 0.000 -0.274) 1.374 3.260 ( -0.541 0.000 1.024) 1.158 5.395 ( 2.198 0.000 0.526) 2.260 5.416 ( 1.159 0.000 0.304) 1.199 5.418 ( 2.158 0.000 -1.721) 2.760 5.472 ( 1.507 0.000 -0.486) 1.583 5.579 ( 0.475 0.000 0.135) 0.494 5.581 ( 0.791 0.000 0.081) 0.795 5.612 ( 1.363 0.000 0.326) 1.402 5.657 ( 2.854 0.000 -0.610) 2.919 5.690 ( -0.389 0.000 0.187) 0.432 5.729 ( -0.354 0.000 -0.886) 0.954 5.850 ( 0.405 0.000 -0.371) 0.549 5.857 ( 0.154 0.000 0.131) 0.202 5.878 ( 2.801 0.000 -0.735) 2.896 5.880 ( 2.053 0.000 0.124) 2.056 6.255 ( -0.384 0.000 -0.623) 0.732 6.260 ( -0.497 0.000 1.209) 1.307 6.266 ( 1.019 0.000 -0.186) 1.036 6.305 ( -2.381 0.000 -1.032) 2.595 6.343 ( -2.152 0.000 0.374) 2.184 6.428 ( 9.566 0.000 -7.139) 11.937 6.991 ( 0.363 0.000 0.871) 0.944 7.043 ( -1.149 0.000 -1.350) 1.773 7.080 ( 0.084 0.000 0.086) 0.120 7.103 ( -0.409 0.000 -0.042) 0.411 8.059 ( 0.727 0.000 1.095) 1.314 8.107 ( 0.379 0.000 -0.433) 0.576 8.129 ( -1.007 0.000 1.693) 1.970 8.157 ( 0.036 0.000 0.175) 0.179 8.194 ( 0.065 0.000 0.139) 0.153 8.201 ( -1.185 0.000 -0.055) 1.186 8.233 ( -0.380 0.000 2.722) 2.748 8.343 ( -0.079 0.000 -0.285) 0.296 8.805 ( 0.526 0.000 0.108) 0.536 8.835 ( 0.824 0.000 -0.021) 0.824 8.931 ( 0.057 0.000 -0.391) 0.395 8.946 ( -1.536 0.000 -2.053) 2.564 9.165 ( -1.457 0.000 1.698) 2.238 9.235 ( -4.071 0.000 3.985) 5.697 9.242 ( -0.009 0.000 -0.877) 0.877 9.304 ( -1.346 0.000 -1.956) 2.375======================= Grid point 27 (12/33) =======================q-point: ( 0.40 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.388 ( 4.030 0.000 2.401) 4.691 0.398 ( 6.706 0.000 2.263) 7.077 0.490 ( -1.479 0.000 -2.000) 2.488 0.525 ( 1.703 0.000 -0.545) 1.788 0.567 ( -5.321 0.000 0.759) 5.375 0.573 ( -2.974 0.000 0.154) 2.978 0.641 ( 1.845 0.000 -0.524) 1.918 0.655 ( 0.046 0.000 -0.202) 0.207 0.683 ( 0.722 0.000 -0.338) 0.797 0.697 ( -1.733 0.000 1.796) 2.496 0.745 ( -2.346 0.000 -0.797) 2.478 0.773 ( 0.356 0.000 -2.687) 2.710 0.777 ( 5.966 0.000 -1.127) 6.071 0.811 ( 0.140 0.000 0.927) 0.938 0.818 ( -2.065 0.000 1.813) 2.748 0.838 ( 0.330 0.000 1.177) 1.222 0.859 ( -1.352 0.000 0.890) 1.618 0.872 ( 0.149 0.000 1.395) 1.403 0.907 ( 0.503 0.000 -2.000) 2.062 0.926 ( -0.157 0.000 0.109) 0.191 0.955 ( 0.050 0.000 -2.586) 2.587 0.957 ( -1.299 0.000 -1.659) 2.106 0.994 ( 1.454 0.000 1.065) 1.802 1.021 ( 0.678 0.000 -2.193) 2.296 1.048 ( 0.478 0.000 1.816) 1.878 1.055 ( 2.107 0.000 0.558) 2.180 1.079 ( -2.136 0.000 2.954) 3.645 1.119 ( 2.001 0.000 1.709) 2.631 1.132 ( -0.034 0.000 0.093) 0.099 1.146 ( -1.272 0.000 -2.102) 2.458 1.184 ( 0.215 0.000 -1.603) 1.617 1.203 ( -3.684 0.000 1.316) 3.912 1.207 ( 1.322 0.000 1.646) 2.111 1.213 ( 0.725 0.000 -1.318) 1.505 1.262 ( -0.959 0.000 -1.048) 1.421 1.308 ( -0.184 0.000 -0.471) 0.505 1.311 ( 1.776 0.000 -1.307) 2.205 1.348 ( -1.030 0.000 -0.315) 1.078 1.373 ( 0.699 0.000 -0.479) 0.848 1.382 ( 1.459 0.000 -0.148) 1.466 1.414 ( 0.536 0.000 -0.570) 0.783 1.417 ( 0.119 0.000 -0.226) 0.255 1.436 ( 0.105 0.000 -1.009) 1.014 1.454 ( -0.478 0.000 -0.323) 0.577 1.501 ( -0.828 0.000 1.145) 1.413 1.519 ( 1.256 0.000 -1.283) 1.796 1.550 ( -0.199 0.000 0.042) 0.203 1.564 ( 0.256 0.000 -0.408) 0.482 1.625 ( 0.790 0.000 0.242) 0.827 1.643 ( -0.260 0.000 0.164) 0.308 1.736 ( 0.604 0.000 0.535) 0.807 1.767 ( 0.345 0.000 -0.295) 0.454 1.831 ( 0.309 0.000 0.819) 0.875 1.843 ( -0.471 0.000 -0.702) 0.846 1.865 ( -0.856 0.000 -1.552) 1.773 1.903 ( 0.469 0.000 -0.030) 0.470 1.936 ( -0.249 0.000 0.500) 0.559 1.963 ( -0.137 0.000 0.902) 0.912 2.001 ( -1.657 0.000 0.465) 1.721 2.028 ( -0.419 0.000 -1.129) 1.204 2.100 ( 0.453 0.000 0.945) 1.048 2.106 ( 0.135 0.000 -0.311) 0.339 2.201 ( 1.557 0.000 -0.672) 1.696 2.211 ( 0.860 0.000 0.620) 1.060 2.239 ( -2.013 0.000 -0.060) 2.014 2.242 ( -0.314 0.000 -0.146) 0.346 2.501 ( 0.330 0.000 -0.384) 0.507 2.520 ( -0.188 0.000 -0.465) 0.502 2.561 ( -0.800 0.000 -0.380) 0.886 2.562 ( -0.542 0.000 -0.522) 0.752 2.569 ( 0.726 0.000 0.579) 0.929 2.588 ( 0.039 0.000 0.183) 0.187 2.599 ( -0.156 0.000 1.398) 1.407 2.615 ( -0.889 0.000 0.663) 1.109 2.647 ( 1.543 0.000 0.166) 1.552 2.679 ( -0.633 0.000 -0.020) 0.633 2.739 ( -0.426 0.000 -0.736) 0.850 2.748 ( 0.719 0.000 -0.652) 0.970 2.750 ( -0.230 0.000 0.059) 0.237 2.777 ( -1.135 0.000 -0.858) 1.423 2.834 ( 0.439 0.000 0.031) 0.440 2.861 ( -1.740 0.000 0.798) 1.914 2.914 ( 1.138 0.000 -1.436) 1.832 2.927 ( -1.091 0.000 -0.041) 1.092 2.977 ( -0.091 0.000 1.575) 1.577 3.013 ( 1.917 0.000 2.398) 3.070 3.036 ( -1.261 0.000 0.718) 1.451 3.081 ( 0.490 0.000 0.307) 0.578 3.196 ( 0.469 0.000 -0.039) 0.470 3.216 ( 0.260 0.000 -0.893) 0.930 3.245 ( -0.925 0.000 0.724) 1.175 3.258 ( 0.063 0.000 -0.647) 0.650 5.419 ( 0.371 0.000 0.373) 0.526 5.445 ( 0.871 0.000 -1.308) 1.571 5.453 ( 1.439 0.000 0.732) 1.615 5.490 ( 0.558 0.000 -0.080) 0.564 5.592 ( 0.609 0.000 -0.140) 0.625 5.594 ( 0.440 0.000 -0.381) 0.582 5.651 ( 1.614 0.000 1.755) 2.384 5.686 ( -0.095 0.000 0.219) 0.239 5.687 ( 0.577 0.000 -0.040) 0.579 5.720 ( -0.341 0.000 0.019) 0.342 5.854 ( 0.195 0.000 -0.307) 0.363 5.854 ( -0.295 0.000 0.061) 0.301 5.925 ( 1.466 0.000 -0.041) 1.467 5.927 ( 1.843 0.000 -0.053) 1.844 6.230 ( -1.014 0.000 -0.473) 1.119 6.245 ( -1.094 0.000 -0.536) 1.218 6.279 ( -0.360 0.000 0.089) 0.371 6.281 ( 0.579 0.000 0.738) 0.938 6.306 ( -1.537 0.000 2.669) 3.079 6.538 ( 3.829 0.000 -7.736) 8.632 6.995 ( -0.031 0.000 -0.580) 0.581 7.018 ( -0.791 0.000 -1.944) 2.099 7.088 ( 0.603 0.000 0.317) 0.681 7.095 ( -0.462 0.000 0.631) 0.782 8.079 ( 0.604 0.000 1.041) 1.204 8.111 ( 0.002 0.000 2.458) 2.458 8.130 ( 0.324 0.000 0.097) 0.338 8.153 ( -0.610 0.000 0.710) 0.936 8.187 ( -0.144 0.000 -0.264) 0.301 8.210 ( 1.659 0.000 -0.223) 1.673 8.241 ( 0.250 0.000 1.139) 1.166 8.321 ( -1.838 0.000 -1.390) 2.305 8.818 ( 0.578 0.000 0.218) 0.617 8.848 ( 0.330 0.000 -0.055) 0.335 8.918 ( -0.905 0.000 -0.837) 1.232 8.922 ( -0.151 0.000 -1.213) 1.222 9.141 ( -1.312 0.000 2.016) 2.406 9.191 ( -1.703 0.000 3.358) 3.765 9.237 ( -0.186 0.000 -1.610) 1.620 9.277 ( -0.360 0.000 -1.915) 1.949======================= Grid point 28 (13/33) =======================q-point: (-0.40 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.362 ( -6.076 0.000 1.141) 6.182 0.420 ( -7.293 0.000 2.143) 7.601 0.495 ( 0.336 0.000 -0.263) 0.427 0.524 ( 1.446 0.000 -1.037) 1.779 0.552 ( 3.579 0.000 0.533) 3.619 0.561 ( 2.017 0.000 0.246) 2.032 0.650 ( -2.778 0.000 2.893) 4.011 0.652 ( -1.937 0.000 -2.322) 3.024 0.660 ( 2.393 0.000 0.104) 2.395 0.706 ( 0.724 0.000 0.294) 0.781 0.721 ( -1.116 0.000 0.370) 1.176 0.743 ( -1.984 0.000 -3.606) 4.116 0.781 ( 1.003 0.000 -0.218) 1.027 0.802 ( -0.193 0.000 1.291) 1.305 0.829 ( -1.639 0.000 1.950) 2.547 0.841 ( 2.261 0.000 -0.960) 2.457 0.866 ( -1.708 0.000 0.733) 1.858 0.881 ( -0.659 0.000 1.146) 1.322 0.918 ( 0.350 0.000 -3.732) 3.749 0.922 ( -1.586 0.000 0.761) 1.759 0.925 ( 0.429 0.000 -1.551) 1.609 0.988 ( 3.006 0.000 -1.136) 3.214 1.010 ( -0.441 0.000 0.984) 1.078 1.021 ( 0.223 0.000 -1.087) 1.110 1.040 ( -1.500 0.000 2.806) 3.182 1.072 ( -0.372 0.000 1.914) 1.949 1.104 ( 1.961 0.000 1.031) 2.216 1.124 ( -1.474 0.000 -1.282) 1.953 1.130 ( 1.557 0.000 -0.823) 1.761 1.143 ( 1.130 0.000 -0.821) 1.396 1.159 ( 0.068 0.000 1.889) 1.890 1.184 ( -3.084 0.000 -1.827) 3.584 1.203 ( 1.900 0.000 1.052) 2.172 1.225 ( 1.176 0.000 0.870) 1.463 1.285 ( -2.782 0.000 -2.459) 3.713 1.285 ( -0.224 0.000 -0.369) 0.432 1.314 ( 2.032 0.000 0.959) 2.247 1.346 ( 0.344 0.000 -0.979) 1.038 1.375 ( -0.189 0.000 -0.659) 0.685 1.385 ( -1.043 0.000 -2.644) 2.842 1.400 ( -0.609 0.000 0.852) 1.047 1.415 ( -0.228 0.000 -0.423) 0.481 1.454 ( 1.052 0.000 0.096) 1.056 1.458 ( 1.309 0.000 -0.045) 1.309 1.478 ( -1.352 0.000 0.025) 1.352 1.530 ( 0.055 0.000 -0.693) 0.695 1.553 ( 0.326 0.000 0.099) 0.341 1.559 ( -0.568 0.000 -0.536) 0.781 1.629 ( -0.316 0.000 0.344) 0.467 1.631 ( -1.241 0.000 0.114) 1.247 1.750 ( 0.657 0.000 0.722) 0.977 1.771 ( -0.534 0.000 -0.470) 0.711 1.834 ( 0.757 0.000 0.458) 0.884 1.855 ( 0.007 0.000 -1.516) 1.516 1.873 ( 1.906 0.000 0.904) 2.109 1.890 ( -1.179 0.000 -1.705) 2.073 1.946 ( -1.093 0.000 0.120) 1.099 1.957 ( 1.979 0.000 1.480) 2.471 1.998 ( 2.156 0.000 0.731) 2.277 2.023 ( 0.267 0.000 -1.463) 1.487 2.097 ( -0.880 0.000 0.726) 1.140 2.114 ( -0.201 0.000 -0.036) 0.204 2.195 ( -1.948 0.000 -0.179) 1.956 2.226 ( 1.159 0.000 0.223) 1.181 2.239 ( 1.482 0.000 -0.049) 1.483 2.240 ( 0.055 0.000 -0.232) 0.239 2.510 ( 0.406 0.000 0.092) 0.416 2.513 ( -0.565 0.000 -0.937) 1.094 2.555 ( 0.348 0.000 -0.136) 0.374 2.567 ( 1.194 0.000 -0.421) 1.266 2.579 ( -0.084 0.000 -0.131) 0.156 2.585 ( -0.793 0.000 -0.225) 0.824 2.610 ( 1.071 0.000 1.763) 2.063 2.611 ( 0.986 0.000 0.926) 1.353 2.650 ( -0.977 0.000 0.726) 1.217 2.685 ( 1.065 0.000 -0.201) 1.084 2.733 ( 0.271 0.000 -0.849) 0.892 2.748 ( -0.207 0.000 -1.045) 1.066 2.770 ( 1.469 0.000 0.578) 1.578 2.776 ( 1.085 0.000 -1.539) 1.883 2.829 ( -1.572 0.000 -0.478) 1.643 2.840 ( 0.026 0.000 1.230) 1.231 2.893 ( -1.371 0.000 -0.445) 1.441 2.934 ( 1.070 0.000 0.077) 1.072 2.997 ( -1.311 0.000 0.718) 1.495 3.013 ( 2.262 0.000 2.185) 3.145 3.054 ( 0.310 0.000 1.827) 1.853 3.071 ( -1.447 0.000 -0.465) 1.520 3.208 ( 0.538 0.000 -0.239) 0.589 3.215 ( -0.143 0.000 -0.766) 0.779 3.233 ( -0.266 0.000 0.297) 0.399 3.249 ( -0.449 0.000 -0.190) 0.487 5.413 ( -1.075 0.000 0.189) 1.091 5.445 ( -0.471 0.000 -0.988) 1.095 5.466 ( -0.373 0.000 1.052) 1.116 5.491 ( -0.476 0.000 -0.505) 0.694 5.593 ( -0.409 0.000 -0.359) 0.544 5.594 ( -0.403 0.000 -0.134) 0.424 5.665 ( -1.021 0.000 2.364) 2.575 5.686 ( 0.139 0.000 0.147) 0.203 5.690 ( -0.080 0.000 -0.123) 0.147 5.715 ( -0.107 0.000 -0.562) 0.572 5.848 ( -0.354 0.000 -0.196) 0.404 5.857 ( 0.177 0.000 -0.097) 0.202 5.921 ( -1.681 0.000 0.124) 1.686 5.926 ( -1.982 0.000 -0.141) 1.987 6.223 ( -0.667 0.000 -0.260) 0.716 6.248 ( 2.759 0.000 -0.157) 2.763 6.274 ( -0.283 0.000 0.112) 0.305 6.286 ( -0.466 0.000 -0.283) 0.545 6.317 ( 1.891 0.000 3.210) 3.725 6.550 ( -0.165 0.000 -8.582) 8.583 6.988 ( -0.418 0.000 -0.562) 0.701 6.999 ( -0.511 0.000 -1.589) 1.669 7.090 ( -0.021 0.000 0.303) 0.304 7.100 ( 0.304 0.000 0.492) 0.578 8.079 ( -0.859 0.000 1.017) 1.332 8.124 ( -0.193 0.000 2.211) 2.220 8.127 ( 0.174 0.000 -0.206) 0.269 8.152 ( 0.409 0.000 0.729) 0.836 8.197 ( 0.962 0.000 0.015) 0.962 8.236 ( -0.480 0.000 1.113) 1.212 8.251 ( 0.737 0.000 2.316) 2.430 8.285 ( 0.179 0.000 -3.519) 3.523 8.823 ( -0.271 0.000 0.529) 0.594 8.844 ( -0.630 0.000 -0.393) 0.743 8.894 ( -1.277 0.000 -1.481) 1.955 8.935 ( 1.527 0.000 -0.619) 1.648 9.131 ( -0.202 0.000 2.872) 2.879 9.179 ( -0.464 0.000 2.656) 2.697 9.228 ( 0.074 0.000 -1.870) 1.871 9.285 ( 1.397 0.000 -1.489) 2.041======================= Grid point 29 (14/33) =======================q-point: (-0.20 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.216 ( -8.152 0.000 4.188) 9.165 0.300 ( -6.746 0.000 7.499) 10.087 0.471 ( -4.757 0.000 -0.429) 4.777 0.473 ( -9.588 0.000 5.212) 10.913 0.512 ( 1.705 0.000 -5.855) 6.098 0.593 ( -0.416 0.000 1.990) 2.033 0.663 ( 1.488 0.000 1.050) 1.822 0.664 ( 3.274 0.000 0.851) 3.382 0.686 ( -1.831 0.000 -3.656) 4.089 0.697 ( 0.544 0.000 0.564) 0.784 0.720 ( 3.588 0.000 -1.141) 3.765 0.755 ( 4.339 0.000 -2.131) 4.834 0.780 ( -3.167 0.000 0.509) 3.208 0.790 ( -1.708 0.000 1.435) 2.230 0.833 ( 2.498 0.000 2.203) 3.331 0.847 ( 1.165 0.000 3.642) 3.824 0.899 ( -0.046 0.000 -0.737) 0.738 0.907 ( -0.445 0.000 -3.316) 3.346 0.913 ( 2.877 0.000 1.066) 3.068 0.918 ( 2.858 0.000 -0.688) 2.940 0.931 ( 0.677 0.000 -0.520) 0.854 0.954 ( -2.657 0.000 1.145) 2.893 1.009 ( -1.144 0.000 -1.354) 1.773 1.019 ( -2.225 0.000 0.010) 2.225 1.043 ( 0.451 0.000 0.132) 0.470 1.062 ( -0.313 0.000 1.393) 1.428 1.085 ( -2.097 0.000 0.667) 2.200 1.099 ( -1.198 0.000 -1.080) 1.613 1.140 ( -0.478 0.000 0.381) 0.611 1.146 ( 1.033 0.000 -2.170) 2.404 1.179 ( -1.226 0.000 0.987) 1.574 1.185 ( 1.053 0.000 -0.015) 1.053 1.218 ( 1.348 0.000 -2.677) 2.997 1.243 ( -1.121 0.000 -0.763) 1.356 1.264 ( 1.863 0.000 1.511) 2.399 1.277 ( 2.231 0.000 0.298) 2.251 1.334 ( -1.959 0.000 0.419) 2.004 1.338 ( -1.864 0.000 -0.299) 1.887 1.354 ( 0.801 0.000 -2.966) 3.072 1.375 ( -0.261 0.000 1.769) 1.788 1.397 ( -0.594 0.000 0.766) 0.969 1.428 ( 2.633 0.000 -0.055) 2.634 1.456 ( -0.759 0.000 -0.371) 0.845 1.472 ( 0.652 0.000 0.519) 0.833 1.499 ( 2.843 0.000 -1.303) 3.128 1.509 ( -1.617 0.000 0.014) 1.617 1.550 ( -1.116 0.000 0.473) 1.212 1.565 ( 0.686 0.000 -0.520) 0.861 1.609 ( 0.317 0.000 -1.090) 1.135 1.621 ( -0.884 0.000 0.387) 0.965 1.736 ( -1.234 0.000 -0.911) 1.534 1.767 ( 0.601 0.000 0.235) 0.645 1.848 ( 0.785 0.000 -1.345) 1.558 1.855 ( 0.730 0.000 0.962) 1.208 1.898 ( 0.885 0.000 -0.406) 0.973 1.899 ( 0.722 0.000 0.009) 0.722 1.934 ( -0.442 0.000 0.199) 0.484 2.000 ( 1.264 0.000 0.288) 1.296 2.024 ( -0.506 0.000 0.002) 0.506 2.051 ( 2.380 0.000 0.716) 2.486 2.079 ( -0.417 0.000 0.010) 0.417 2.090 ( -1.832 0.000 -1.289) 2.240 2.160 ( -1.089 0.000 -0.088) 1.092 2.235 ( -0.154 0.000 -0.995) 1.006 2.257 ( 1.432 0.000 1.492) 2.069 2.271 ( 1.596 0.000 -0.619) 1.712 2.495 ( -0.396 0.000 -0.773) 0.868 2.515 ( 0.173 0.000 0.040) 0.178 2.571 ( 0.980 0.000 -0.120) 0.987 2.572 ( -0.307 0.000 0.115) 0.328 2.594 ( 1.167 0.000 -0.215) 1.186 2.596 ( 1.145 0.000 -0.184) 1.159 2.627 ( -1.295 0.000 1.382) 1.894 2.631 ( 0.716 0.000 -1.095) 1.309 2.633 ( 0.500 0.000 0.188) 0.534 2.683 ( -1.679 0.000 -2.373) 2.907 2.718 ( -1.983 0.000 -2.251) 3.000 2.732 ( -1.330 0.000 -0.223) 1.349 2.782 ( -0.209 0.000 -0.949) 0.972 2.798 ( -0.603 0.000 -0.766) 0.975 2.805 ( 0.798 0.000 1.297) 1.523 2.849 ( 0.324 0.000 1.452) 1.487 2.892 ( 1.553 0.000 -0.677) 1.695 2.948 ( -0.446 0.000 1.204) 1.284 2.994 ( 1.108 0.000 -0.154) 1.119 3.030 ( -2.071 0.000 -0.919) 2.266 3.060 ( 1.393 0.000 2.453) 2.820 3.060 ( 0.479 0.000 2.556) 2.601 3.200 ( -0.700 0.000 -1.711) 1.849 3.205 ( -0.465 0.000 -0.693) 0.835 3.239 ( 0.654 0.000 -0.036) 0.654 3.257 ( 0.583 0.000 1.635) 1.736 5.381 ( -1.889 0.000 0.015) 1.889 5.425 ( -1.054 0.000 -0.467) 1.153 5.447 ( -1.738 0.000 1.338) 2.193 5.463 ( -2.406 0.000 -2.330) 3.349 5.579 ( -0.771 0.000 0.048) 0.772 5.581 ( -0.720 0.000 0.154) 0.736 5.633 ( -2.201 0.000 1.261) 2.537 5.673 ( -2.320 0.000 -2.765) 3.609 5.693 ( 0.374 0.000 0.414) 0.557 5.710 ( 0.202 0.000 -1.688) 1.700 5.839 ( -0.400 0.000 -0.138) 0.423 5.857 ( -0.404 0.000 0.051) 0.408 5.874 ( -2.183 0.000 -0.285) 2.201 5.878 ( -2.264 0.000 0.341) 2.290 6.221 ( 0.469 0.000 0.232) 0.523 6.267 ( -0.396 0.000 0.152) 0.425 6.275 ( -0.588 0.000 0.418) 0.721 6.305 ( 2.106 0.000 -2.763) 3.474 6.363 ( 1.612 0.000 0.350) 1.649 6.462 ( -6.661 0.000 -9.357) 11.486 6.979 ( -0.353 0.000 0.809) 0.883 7.003 ( 1.481 0.000 0.642) 1.615 7.097 ( 0.587 0.000 -0.429) 0.727 7.099 ( -0.505 0.000 0.238) 0.559 8.061 ( -1.034 0.000 1.117) 1.522 8.108 ( -0.583 0.000 -0.944) 1.110 8.146 ( 0.599 0.000 1.047) 1.206 8.168 ( 0.885 0.000 0.884) 1.251 8.200 ( -2.123 0.000 -0.454) 2.171 8.207 ( 0.137 0.000 -0.111) 0.176 8.306 ( 1.741 0.000 -1.918) 2.590 8.310 ( 3.798 0.000 3.587) 5.224 8.813 ( -0.780 0.000 0.615) 0.993 8.823 ( -1.125 0.000 -1.259) 1.688 8.865 ( -0.803 0.000 0.875) 1.188 8.967 ( 1.543 0.000 -1.038) 1.860 9.161 ( 2.472 0.000 4.483) 5.119 9.186 ( 0.506 0.000 3.203) 3.243 9.232 ( 0.626 0.000 -1.258) 1.405 9.313 ( 1.523 0.000 -1.314) 2.012======================= Grid point 30 (15/33) =======================q-point: ( 0.00 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 50Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.187 ( 2.023 6.217 3.842) 7.583 0.259 ( -0.565 4.924 8.105) 9.500 0.396 ( -4.231 6.200 12.850) 14.881 0.434 ( -0.274 -0.973 -4.293) 4.411 0.554 ( 3.417 0.079 -2.007) 3.963 0.561 ( 2.044 -5.290 2.833) 6.339 0.609 ( -1.036 -1.097 -2.079) 2.569 0.614 ( -1.874 -5.440 0.735) 5.800 0.672 ( -0.135 -0.571 -1.596) 1.701 0.710 ( -1.245 -1.578 0.080) 2.012 0.742 ( 0.098 -0.116 0.448) 0.473 0.773 ( 1.480 0.376 -0.259) 1.549 0.793 ( 0.536 -3.842 -1.631) 4.208 0.803 ( 0.565 -1.877 -1.202) 2.300 0.842 ( -2.774 2.706 0.026) 3.875 0.874 ( 0.011 -0.334 1.874) 1.904 0.885 ( 1.401 0.942 -0.191) 1.699 0.903 ( 2.593 0.517 0.231) 2.654 0.922 ( 0.217 -1.134 1.343) 1.771 0.952 ( -0.228 2.098 0.465) 2.161 0.965 ( 1.957 -0.567 -1.864) 2.762 0.980 ( -1.859 0.998 -0.194) 2.119 0.985 ( -0.346 0.435 1.202) 1.324 1.019 ( 0.627 0.935 -0.747) 1.351 1.044 ( -0.867 0.902 0.532) 1.360 1.058 ( 0.942 1.639 -0.198) 1.900 1.085 ( -1.632 1.557 -1.708) 2.829 1.107 ( -0.230 -1.476 -0.260) 1.517 1.110 ( 0.189 0.517 -0.600) 0.814 1.142 ( 0.723 0.601 -0.050) 0.942 1.159 ( -1.651 1.106 1.802) 2.682 1.190 ( -0.490 1.845 -0.064) 1.910 1.234 ( 0.681 -0.790 -0.683) 1.247 1.263 ( -0.891 -0.077 -0.540) 1.045 1.271 ( 0.327 -0.931 -1.876) 2.119 1.307 ( -0.058 0.212 -1.356) 1.374 1.319 ( 0.956 0.244 0.396) 1.063 1.328 ( 1.991 0.276 -0.412) 2.052 1.342 ( -1.842 -0.807 -0.188) 2.020 1.371 ( 0.868 -1.283 -0.770) 1.730 1.381 ( -0.733 -0.462 1.267) 1.535 1.432 ( 0.324 -1.284 -0.670) 1.484 1.455 ( -1.088 -0.331 0.559) 1.267 1.478 ( -0.498 -0.525 -0.203) 0.752 1.493 ( -0.950 1.201 0.074) 1.533 1.509 ( 0.284 -0.390 0.696) 0.847 1.534 ( 0.180 0.328 0.862) 0.940 1.566 ( -0.053 0.317 -0.364) 0.485 1.608 ( -0.662 0.632 -0.006) 0.916 1.635 ( 1.719 -0.407 -1.751) 2.487 1.712 ( 0.996 -2.694 1.015) 3.046 1.741 ( -0.836 -2.327 -0.562) 2.536 1.859 ( -0.545 0.146 0.412) 0.698 1.876 ( 1.291 -0.033 -0.081) 1.294 1.900 ( -0.091 -0.034 -0.141) 0.171 1.902 ( -0.501 0.030 -0.170) 0.530 1.940 ( 0.708 0.510 0.667) 1.098 1.983 ( -1.754 0.376 -1.583) 2.392 2.012 ( -0.467 -1.205 -0.303) 1.328 2.033 ( -1.076 -0.442 -1.362) 1.791 2.086 ( 0.996 0.441 0.494) 1.196 2.092 ( -0.274 0.494 0.027) 0.565 2.170 ( 0.872 0.557 0.697) 1.247 2.218 ( -2.044 -0.591 -0.469) 2.179 2.250 ( 0.075 -0.145 0.587) 0.609 2.287 ( 0.177 -0.359 -0.817) 0.910 2.494 ( 0.481 -0.134 -0.607) 0.786 2.521 ( -0.552 -0.675 -1.585) 1.809 2.561 ( -0.524 -0.173 0.940) 1.090 2.585 ( 1.056 -0.547 0.446) 1.270 2.598 ( 0.318 -0.029 0.027) 0.320 2.600 ( 0.035 0.128 -0.299) 0.327 2.610 ( 0.814 -0.284 -0.147) 0.875 2.631 ( -0.608 -0.794 -1.012) 1.423 2.641 ( 0.705 0.974 0.157) 1.213 2.660 ( -0.185 1.378 -0.657) 1.538 2.678 ( -0.086 -0.008 0.821) 0.826 2.723 ( -0.400 0.374 -1.962) 2.037 2.789 ( 0.464 0.713 -0.334) 0.914 2.796 ( 0.214 0.961 -0.492) 1.101 2.830 ( 0.902 0.349 1.410) 1.710 2.846 ( -0.870 0.077 0.462) 0.988 2.919 ( 0.253 -0.148 1.118) 1.156 2.946 ( -0.462 1.104 -0.183) 1.210 2.983 ( -0.698 -1.806 0.810) 2.099 3.001 ( -0.178 -0.175 -0.585) 0.636 3.062 ( 0.162 -1.242 2.716) 2.990 3.072 ( -0.186 -1.081 2.431) 2.667 3.188 ( 0.148 0.252 0.117) 0.315 3.202 ( 0.314 0.244 -0.711) 0.815 3.238 ( -1.559 0.106 1.384) 2.087 3.255 ( 0.657 -0.058 0.415) 0.779 5.361 ( 0.327 0.157 -0.345) 0.501 5.376 ( -0.115 -0.193 -0.996) 1.021 5.418 ( -1.055 0.134 0.968) 1.438 5.426 ( 0.991 -0.077 0.706) 1.220 5.576 ( 0.185 0.494 0.016) 0.528 5.583 ( 0.081 0.798 -0.622) 1.015 5.604 ( -0.143 -0.170 0.099) 0.243 5.604 ( -0.632 -0.175 0.069) 0.659 5.699 ( -0.160 0.187 0.162) 0.295 5.719 ( 0.738 -0.431 -0.600) 1.044 5.833 ( -0.078 -0.139 0.179) 0.240 5.841 ( -0.054 -0.093 -0.040) 0.115 5.854 ( 0.180 0.200 0.288) 0.394 5.864 ( 0.176 0.087 -0.199) 0.279 6.239 ( 0.386 -0.191 0.388) 0.579 6.256 ( 0.383 -0.751 0.958) 1.276 6.264 ( 1.384 0.924 -0.369) 1.704 6.295 ( 0.206 0.448 0.634) 0.804 6.354 ( -1.823 0.110 -1.079) 2.122 6.372 ( -0.512 -0.083 -1.054) 1.175 6.983 ( 0.127 0.174 1.616) 1.630 7.023 ( 0.708 -1.740 1.353) 2.315 7.086 ( -0.400 0.213 -0.496) 0.672 7.105 ( 0.341 -0.139 -0.678) 0.772 8.087 ( 0.156 2.496 -0.787) 2.622 8.110 ( 0.221 0.947 -0.884) 1.314 8.151 ( -0.427 0.224 0.261) 0.548 8.170 ( -1.543 0.483 -0.109) 1.620 8.183 ( 0.370 -0.475 0.985) 1.154 8.208 ( 0.146 -0.389 -0.171) 0.449 8.285 ( -2.929 -0.952 0.988) 3.235 8.322 ( 1.211 -1.047 -0.769) 1.776 8.822 ( 0.271 0.648 -0.210) 0.733 8.832 ( -0.559 1.446 -0.734) 1.716 8.904 ( 2.246 0.458 -0.052) 2.293 8.966 ( -0.287 -0.959 -1.893) 2.141 9.175 ( -0.468 -0.468 2.072) 2.176 9.210 ( 0.799 -3.164 3.717) 4.946 9.260 ( 0.693 0.201 -0.147) 0.736 9.316 ( 0.034 -0.973 -1.506) 1.793======================= Grid point 31 (16/33) =======================q-point: ( 0.20 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 50Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.271 ( 3.898 1.563 4.300) 6.011 0.314 ( 2.001 4.862 4.806) 7.123 0.430 ( 5.162 -1.625 -5.033) 7.391 0.502 ( 7.047 1.574 7.779) 10.614 0.534 ( -2.541 -2.511 0.091) 3.574 0.584 ( 0.332 -2.211 -1.319) 2.596 0.629 ( 0.416 -1.822 -1.466) 2.375 0.655 ( 3.312 -1.750 0.998) 3.877 0.670 ( 0.737 -1.113 0.007) 1.335 0.686 ( -0.753 -0.328 1.591) 1.791 0.734 ( -0.754 -1.874 -2.462) 3.185 0.747 ( -2.126 -0.471 0.782) 2.314 0.765 ( -1.337 2.215 -2.104) 3.335 0.815 ( -1.781 -2.240 1.626) 3.291 0.817 ( 0.433 -1.267 0.562) 1.452 0.867 ( -1.926 -0.568 -0.990) 2.239 0.887 ( -0.873 1.085 2.594) 2.944 0.914 ( 0.377 -0.477 -1.429) 1.553 0.918 ( -1.514 0.678 1.633) 2.328 0.935 ( -0.970 0.823 -0.528) 1.377 0.957 ( -0.963 0.227 0.690) 1.207 0.972 ( -1.799 0.935 -0.027) 2.028 0.990 ( 0.401 0.033 -0.620) 0.739 1.006 ( 1.118 0.817 1.832) 2.296 1.050 ( 0.955 0.790 -2.504) 2.794 1.060 ( -0.024 2.259 -1.837) 2.912 1.084 ( 1.042 -0.207 -1.991) 2.256 1.118 ( -0.323 0.410 0.293) 0.598 1.128 ( 0.660 -0.345 0.269) 0.791 1.145 ( 0.362 1.695 1.624) 2.376 1.159 ( 1.134 -0.305 0.725) 1.380 1.183 ( 0.984 1.450 -1.080) 2.059 1.225 ( -1.792 -0.865 -0.704) 2.111 1.260 ( 1.267 -0.227 -1.383) 1.889 1.274 ( -0.070 -0.862 0.271) 0.906 1.280 ( -1.361 0.815 -0.453) 1.649 1.319 ( -0.271 -0.711 -0.621) 0.982 1.334 ( 0.613 -0.798 -0.055) 1.007 1.357 ( 0.497 -0.055 -0.363) 0.618 1.375 ( 0.727 0.786 0.879) 1.385 1.398 ( 1.718 -0.918 -0.499) 2.010 1.420 ( -1.301 0.515 -0.403) 1.456 1.437 ( 0.104 -0.696 -0.599) 0.924 1.461 ( -0.641 0.136 -0.102) 0.663 1.502 ( 0.107 0.199 0.393) 0.453 1.516 ( 1.001 1.410 0.322) 1.759 1.550 ( 0.358 0.103 0.274) 0.462 1.566 ( 0.636 0.214 -0.605) 0.903 1.603 ( 0.480 0.233 -0.199) 0.569 1.650 ( 0.101 -0.016 -0.219) 0.241 1.718 ( -0.738 -1.922 -1.226) 2.396 1.737 ( 0.789 -2.134 0.464) 2.322 1.842 ( -0.871 0.518 -0.149) 1.024 1.873 ( -1.565 0.272 -0.515) 1.670 1.883 ( -0.868 -0.406 0.008) 0.959 1.896 ( -0.073 0.121 -0.341) 0.369 1.951 ( -0.319 -0.077 -0.141) 0.357 1.968 ( -0.246 0.294 0.562) 0.680 1.994 ( 0.570 0.022 0.570) 0.806 2.044 ( 0.430 -0.006 0.291) 0.519 2.075 ( -0.340 -0.638 -0.324) 0.792 2.104 ( -0.062 -1.267 -0.572) 1.392 2.185 ( -0.368 0.332 -0.398) 0.635 2.194 ( 1.024 0.423 0.906) 1.431 2.249 ( -0.264 0.032 0.106) 0.287 2.273 ( -1.401 -0.511 -0.419) 1.548 2.505 ( -0.266 -0.071 -0.227) 0.357 2.512 ( 0.318 -0.468 -0.305) 0.642 2.558 ( -0.560 -1.273 0.201) 1.405 2.570 ( -1.028 0.030 0.222) 1.052 2.585 ( -0.886 -0.106 -1.233) 1.522 2.596 ( 0.328 -0.605 -1.042) 1.249 2.605 ( 0.633 0.545 0.323) 0.896 2.630 ( -0.971 2.048 0.067) 2.268 2.646 ( 0.168 0.323 0.100) 0.378 2.673 ( 0.918 0.137 -0.039) 0.929 2.720 ( 1.261 -0.311 -0.027) 1.300 2.741 ( 1.666 -0.238 -1.682) 2.379 2.776 ( -1.412 0.310 -0.487) 1.525 2.807 ( -0.687 0.150 -0.861) 1.112 2.828 ( 0.450 0.613 0.682) 1.021 2.877 ( 1.884 -0.486 0.559) 2.024 2.912 ( -0.483 0.920 -1.174) 1.568 2.933 ( -0.625 0.157 1.110) 1.284 2.960 ( -0.474 -0.344 3.109) 3.163 2.998 ( -1.184 -0.694 -0.507) 1.464 3.060 ( -0.125 -0.331 1.473) 1.515 3.068 ( -0.745 -0.277 1.521) 1.716 3.191 ( 0.221 0.367 0.037) 0.430 3.212 ( 0.582 0.438 -0.755) 1.049 3.236 ( 0.984 -0.644 0.240) 1.200 3.258 ( -0.557 -0.242 0.864) 1.056 5.396 ( 2.384 0.080 0.294) 2.404 5.408 ( 1.963 -0.550 -0.848) 2.208 5.423 ( 1.397 0.443 -0.106) 1.469 5.465 ( 1.748 -0.628 -0.026) 1.858 5.579 ( 0.497 0.220 -0.131) 0.559 5.592 ( 0.552 0.695 0.111) 0.894 5.609 ( 1.317 -0.157 0.253) 1.351 5.649 ( 2.841 -0.726 -0.079) 2.933 5.692 ( -0.379 0.193 0.059) 0.430 5.720 ( -0.371 -0.844 -0.599) 1.099 5.847 ( 0.705 -0.277 -0.063) 0.760 5.853 ( 0.317 -0.315 0.220) 0.498 5.876 ( 2.392 -0.005 -0.423) 2.429 5.881 ( 1.885 0.035 -0.002) 1.886 6.252 ( 0.136 -0.003 0.025) 0.139 6.265 ( 0.967 -0.136 0.024) 0.977 6.273 ( -0.936 1.016 0.206) 1.397 6.304 ( -2.458 0.011 -1.262) 2.763 6.340 ( -2.041 -0.349 0.714) 2.190 6.393 ( 7.389 -2.939 -3.717) 8.778 6.992 ( 0.336 0.176 0.819) 0.903 7.027 ( -0.381 -1.219 0.038) 1.278 7.080 ( -0.021 0.213 -0.197) 0.291 7.106 ( -0.176 -0.067 -0.328) 0.378 8.088 ( 0.219 2.153 -0.243) 2.178 8.116 ( 0.379 1.000 -0.687) 1.271 8.135 ( -1.092 0.699 1.560) 2.028 8.152 ( -0.144 -0.484 0.649) 0.822 8.186 ( -0.340 -0.606 0.673) 0.967 8.198 ( -0.712 -0.501 -0.422) 0.967 8.250 ( -0.291 1.514 1.313) 2.026 8.334 ( 0.030 -0.947 -0.443) 1.046 8.823 ( 0.302 1.604 -0.407) 1.682 8.839 ( 0.757 0.339 0.163) 0.846 8.922 ( -0.283 -0.767 -0.360) 0.893 8.942 ( -1.127 -0.555 -1.973) 2.339 9.163 ( -1.349 -0.257 1.918) 2.359 9.201 ( -1.952 -2.268 3.636) 4.709 9.255 ( -0.588 0.611 -0.494) 0.981 9.298 ( -1.155 -0.673 -1.926) 2.345======================= Grid point 32 (17/33) =======================q-point: ( 0.40 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 50Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.347 ( 3.874 -3.836 -0.850) 5.517 0.388 ( 2.162 -0.516 0.868) 2.387 0.472 ( -0.540 0.301 2.914) 2.979 0.512 ( 2.148 -1.800 -1.349) 3.110 0.575 ( -3.070 -0.112 0.900) 3.201 0.598 ( -2.352 -1.541 0.114) 2.814 0.625 ( 0.058 -0.143 -0.693) 0.710 0.639 ( -1.232 -0.998 -2.186) 2.701 0.685 ( 1.085 -0.295 1.660) 2.005 0.689 ( 0.804 -0.249 0.893) 1.228 0.729 ( -0.775 -1.188 1.420) 2.007 0.747 ( 1.679 -3.024 -2.482) 4.257 0.768 ( -0.691 -0.518 0.535) 1.016 0.802 ( 1.411 0.713 1.093) 1.921 0.818 ( -1.215 0.413 -1.402) 1.901 0.836 ( 2.097 0.157 1.234) 2.438 0.878 ( -0.311 1.620 -0.719) 1.800 0.885 ( -1.259 1.319 0.444) 1.877 0.912 ( -1.199 -1.185 0.539) 1.770 0.919 ( -0.028 0.714 -0.277) 0.766 0.943 ( 0.727 -0.436 -0.467) 0.968 0.958 ( -0.298 -0.675 -1.708) 1.861 1.011 ( 0.091 -1.369 -0.654) 1.520 1.020 ( 0.639 2.125 0.761) 2.346 1.044 ( 0.579 0.648 -0.840) 1.209 1.078 ( 0.622 0.576 -0.249) 0.884 1.087 ( -1.508 -1.233 0.024) 1.948 1.104 ( 0.282 1.198 1.052) 1.619 1.119 ( 0.373 -0.292 1.777) 1.839 1.158 ( -0.466 -0.060 0.498) 0.684 1.180 ( -0.145 -0.458 0.660) 0.816 1.198 ( -0.281 0.008 -1.165) 1.198 1.217 ( 0.172 1.394 -1.463) 2.029 1.235 ( 1.272 1.241 0.599) 1.875 1.255 ( -1.814 -0.145 -0.377) 1.858 1.305 ( 0.922 -0.323 -0.633) 1.164 1.327 ( 1.760 1.057 -0.732) 2.180 1.350 ( -1.206 0.116 -0.311) 1.251 1.364 ( 1.467 -0.842 -0.817) 1.878 1.388 ( -0.653 0.863 -0.033) 1.083 1.413 ( 0.844 0.203 -0.217) 0.894 1.424 ( 0.895 0.379 -0.507) 1.096 1.434 ( 0.219 -0.246 -0.576) 0.663 1.452 ( -0.513 -0.014 -0.736) 0.897 1.499 ( -0.404 -0.113 0.626) 0.754 1.523 ( -0.140 0.073 -1.085) 1.097 1.559 ( 0.960 1.228 -0.040) 1.559 1.580 ( 0.077 1.230 -0.306) 1.270 1.622 ( 0.822 -0.034 0.674) 1.064 1.647 ( -0.128 0.335 0.006) 0.359 1.719 ( 0.726 -1.702 0.378) 1.888 1.744 ( 0.336 -2.269 -0.271) 2.309 1.837 ( 0.314 0.627 0.750) 1.027 1.847 ( -0.561 0.357 -0.551) 0.864 1.862 ( -0.772 -0.211 -1.036) 1.309 1.896 ( 0.203 -0.558 -0.030) 0.595 1.945 ( -0.020 0.640 -0.031) 0.641 1.959 ( -0.135 -0.360 0.793) 0.882 1.998 ( -2.096 -0.096 0.400) 2.136 2.028 ( -0.776 -0.003 -1.400) 1.600 2.090 ( 0.800 -0.859 0.900) 1.479 2.094 ( 0.377 -1.325 0.173) 1.388 2.194 ( 0.904 -0.185 0.204) 0.945 2.218 ( 1.034 0.270 0.415) 1.147 2.237 ( -1.725 -0.012 -0.326) 1.755 2.244 ( -0.118 0.180 -0.228) 0.313 2.499 ( 0.011 -0.255 -0.211) 0.331 2.512 ( -0.174 -0.234 -0.722) 0.779 2.550 ( 0.229 -1.650 0.525) 1.747 2.568 ( 0.579 0.561 0.510) 0.954 2.579 ( -0.139 0.588 0.865) 1.055 2.593 ( 0.064 1.246 -1.081) 1.651 2.603 ( -1.095 0.002 0.317) 1.140 2.631 ( 0.134 1.689 -0.001) 1.695 2.656 ( 1.058 0.869 0.520) 1.464 2.672 ( -0.862 -0.449 0.016) 0.972 2.736 ( 0.569 -0.539 -0.808) 1.125 2.741 ( -1.077 -0.793 -0.683) 1.501 2.761 ( 0.715 1.218 0.268) 1.438 2.780 ( -0.874 0.379 -0.822) 1.258 2.840 ( 0.251 0.607 0.125) 0.669 2.864 ( -1.646 0.260 0.737) 1.822 2.912 ( 0.418 -0.166 -1.324) 1.398 2.926 ( -0.957 -0.124 -0.573) 1.123 2.975 ( 0.277 -0.245 1.854) 1.891 3.003 ( 1.999 -0.955 2.543) 3.373 3.040 ( -1.209 0.468 0.603) 1.430 3.078 ( 0.277 -0.348 0.293) 0.533 3.196 ( 0.189 0.047 0.054) 0.202 3.216 ( 0.045 0.035 -0.863) 0.865 3.244 ( -0.665 -0.163 0.722) 0.995 3.251 ( 0.203 -0.567 -0.474) 0.766 5.423 ( 0.496 0.421 0.262) 0.701 5.444 ( 1.082 -0.111 -0.676) 1.281 5.452 ( 1.225 0.014 0.322) 1.267 5.487 ( 0.532 -0.417 -0.101) 0.683 5.593 ( 0.791 0.315 -0.180) 0.871 5.603 ( 0.378 0.715 -0.277) 0.855 5.646 ( 1.471 -0.501 1.418) 2.104 5.680 ( 0.216 -0.587 0.393) 0.739 5.690 ( 0.215 0.172 -0.014) 0.276 5.712 ( -0.204 -0.717 -0.063) 0.748 5.853 ( 0.025 -0.062 -0.012) 0.067 5.853 ( -0.065 -0.046 -0.061) 0.100 5.923 ( 1.600 -0.145 -0.059) 1.608 5.926 ( 1.845 -0.126 -0.108) 1.853 6.229 ( -1.467 0.094 -0.061) 1.471 6.253 ( -1.110 0.569 -0.990) 1.592 6.272 ( -0.176 -0.550 0.988) 1.144 6.281 ( 0.324 -0.016 0.766) 0.832 6.309 ( -1.031 0.574 1.341) 1.786 6.491 ( 3.353 -4.517 -5.922) 8.168 6.996 ( -0.026 0.146 -0.578) 0.596 7.015 ( -0.566 -0.252 -1.390) 1.521 7.087 ( 0.583 -0.014 0.478) 0.754 7.099 ( -0.370 0.176 0.330) 0.526 8.094 ( 0.206 1.438 0.624) 1.581 8.119 ( 0.016 0.841 2.003) 2.173 8.134 ( 0.184 0.424 0.269) 0.535 8.151 ( -0.263 -0.241 0.597) 0.695 8.183 ( 0.060 -0.440 -0.042) 0.446 8.197 ( 0.799 -1.042 0.707) 1.491 8.256 ( 0.369 1.206 -0.041) 1.262 8.315 ( -1.562 -0.576 -1.482) 2.228 8.832 ( 0.437 1.272 0.002) 1.345 8.852 ( 0.553 0.492 -0.210) 0.770 8.906 ( -0.829 -0.883 -0.300) 1.248 8.923 ( -0.267 -0.274 -1.332) 1.386 9.141 ( -1.172 0.070 2.080) 2.389 9.178 ( -1.212 -1.168 2.948) 3.394 9.243 ( -0.331 0.517 -1.417) 1.544 9.273 ( -0.349 -0.426 -1.877) 1.956======================= Grid point 33 (18/33) =======================q-point: (-0.40 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 50Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.347 ( -4.968 -1.725 -0.243) 5.265 0.380 ( -2.299 -3.531 -0.801) 4.288 0.476 ( -3.667 -1.205 2.013) 4.353 0.497 ( -1.178 -1.960 0.735) 2.402 0.547 ( 3.534 -0.988 0.231) 3.677 0.560 ( 0.050 0.186 0.409) 0.453 0.640 ( 1.020 -0.675 0.429) 1.296 0.652 ( 1.340 -1.252 -1.826) 2.588 0.686 ( 0.750 0.794 0.295) 1.131 0.705 ( -0.578 0.525 0.656) 1.020 0.739 ( 1.124 0.547 0.197) 1.266 0.744 ( -2.539 1.303 0.220) 2.862 0.773 ( -1.064 0.013 -2.076) 2.333 0.794 ( 0.115 -0.128 0.582) 0.607 0.824 ( 1.446 -1.651 1.649) 2.745 0.849 ( 0.797 0.354 1.591) 1.814 0.853 ( -1.630 -0.443 0.076) 1.691 0.884 ( -0.600 -1.475 -1.931) 2.503 0.895 ( -0.830 0.465 -0.297) 0.996 0.911 ( 0.306 0.743 0.245) 0.840 0.936 ( -1.423 -0.431 -1.610) 2.191 0.972 ( 2.158 -1.364 -1.506) 2.964 1.001 ( -1.599 -0.575 0.631) 1.812 1.032 ( 1.340 0.450 -0.759) 1.604 1.051 ( -0.841 0.492 1.350) 1.665 1.069 ( -0.165 0.044 0.559) 0.584 1.105 ( 0.496 -1.469 -0.650) 1.681 1.117 ( 1.468 0.565 0.987) 1.857 1.133 ( 0.088 1.493 1.005) 1.802 1.165 ( 0.796 0.515 1.231) 1.554 1.176 ( 0.889 1.457 -0.723) 1.853 1.189 ( -1.921 0.457 -1.289) 2.358 1.206 ( 0.626 0.361 0.471) 0.862 1.228 ( 0.830 0.161 -0.119) 0.854 1.277 ( -0.822 0.661 0.036) 1.056 1.298 ( -2.187 0.498 -1.263) 2.574 1.315 ( 1.307 -0.032 0.306) 1.342 1.348 ( 0.137 0.095 -1.434) 1.444 1.373 ( -0.443 -0.900 -0.166) 1.017 1.376 ( 0.175 -0.057 -1.446) 1.458 1.403 ( -1.412 0.575 -0.369) 1.569 1.430 ( -0.504 0.802 -0.328) 1.003 1.450 ( 0.850 -0.243 -0.264) 0.923 1.453 ( 1.312 -0.147 -0.284) 1.351 1.482 ( -1.131 0.484 0.552) 1.348 1.527 ( 0.732 -0.356 -1.140) 1.401 1.560 ( -1.195 0.690 0.181) 1.392 1.570 ( -0.329 1.017 -0.348) 1.124 1.626 ( -0.570 0.162 0.744) 0.951 1.641 ( -0.699 0.814 -0.119) 1.079 1.734 ( 0.508 -1.635 0.498) 1.783 1.750 ( -0.372 -2.155 -0.403) 2.224 1.839 ( 0.694 0.477 0.378) 0.923 1.856 ( 0.655 0.028 -0.759) 1.003 1.875 ( 1.197 0.220 0.413) 1.285 1.888 ( -0.767 -0.206 -1.204) 1.442 1.942 ( -1.198 -0.109 -0.105) 1.207 1.962 ( 1.837 0.469 1.030) 2.158 1.989 ( 1.846 -0.959 0.673) 2.187 2.021 ( 0.574 -0.309 -1.506) 1.641 2.093 ( -0.717 -0.416 0.731) 1.105 2.102 ( -0.265 -1.098 0.229) 1.152 2.199 ( -1.353 0.334 0.167) 1.404 2.221 ( 0.846 -0.476 0.488) 1.086 2.240 ( 0.841 0.244 -0.260) 0.913 2.244 ( 0.430 0.274 -0.361) 0.625 2.500 ( -0.032 -0.323 -0.211) 0.387 2.511 ( 0.267 -0.290 -0.710) 0.812 2.558 ( -0.630 0.435 0.127) 0.776 2.567 ( -0.154 -1.361 0.191) 1.383 2.587 ( 0.500 -0.693 1.104) 1.396 2.592 ( 0.991 1.583 -0.224) 1.881 2.602 ( 0.402 1.143 0.179) 1.225 2.634 ( 0.804 1.501 0.261) 1.723 2.657 ( -0.690 0.814 0.231) 1.092 2.678 ( 0.753 -0.595 -0.431) 1.052 2.719 ( -0.964 -1.315 -0.117) 1.635 2.750 ( 0.798 0.043 -1.061) 1.329 2.780 ( 1.146 0.781 0.113) 1.392 2.783 ( 1.318 0.621 -1.354) 1.989 2.832 ( -1.406 0.356 -0.195) 1.463 2.845 ( -0.221 0.438 1.318) 1.406 2.892 ( -0.957 -0.052 -0.531) 1.095 2.930 ( 0.907 -0.507 -0.166) 1.052 3.000 ( -1.395 0.328 0.926) 1.706 3.012 ( 2.113 -0.131 2.275) 3.107 3.049 ( 0.372 -0.523 1.706) 1.823 3.065 ( -1.464 -0.633 -0.530) 1.680 3.199 ( 0.060 -0.608 -0.142) 0.627 3.213 ( -0.107 -0.273 -0.676) 0.737 3.235 ( -0.378 0.150 0.160) 0.437 3.249 ( -0.134 -0.081 0.052) 0.165 5.419 ( -1.067 0.609 0.144) 1.237 5.446 ( -0.448 0.119 -0.806) 0.929 5.463 ( -0.411 -0.290 0.982) 1.103 5.484 ( -0.742 -0.652 -0.487) 1.101 5.599 ( -0.513 0.598 -0.447) 0.905 5.601 ( -0.244 0.662 0.005) 0.706 5.658 ( -0.952 -0.730 1.876) 2.227 5.678 ( -0.222 -0.894 0.188) 0.940 5.692 ( -0.037 0.127 0.010) 0.132 5.707 ( -0.299 -0.649 -0.426) 0.832 5.848 ( -0.330 0.040 -0.061) 0.338 5.856 ( 0.134 -0.101 -0.030) 0.170 5.921 ( -1.699 -0.045 0.038) 1.700 5.925 ( -1.937 -0.106 -0.167) 1.947 6.224 ( -0.203 0.154 -0.083) 0.268 6.246 ( 1.780 -0.241 -0.021) 1.796 6.274 ( -0.315 0.069 0.211) 0.385 6.292 ( -0.046 0.345 -0.295) 0.456 6.313 ( 1.765 -0.012 2.363) 2.950 6.494 ( -1.125 -5.106 -6.374) 8.244 6.991 ( -0.310 0.241 -0.469) 0.612 6.999 ( -0.495 -0.002 -1.235) 1.330 7.095 ( -0.079 0.267 0.130) 0.307 7.099 ( 0.309 -0.091 0.527) 0.618 8.094 ( -0.461 1.362 0.645) 1.576 8.129 ( -0.558 0.409 0.873) 1.114 8.132 ( 0.525 0.574 0.934) 1.215 8.154 ( 0.528 0.141 0.505) 0.744 8.194 ( 0.851 -0.255 0.281) 0.932 8.225 ( 1.451 -1.182 2.471) 3.100 8.252 ( -1.447 0.376 -0.064) 1.496 8.286 ( 0.320 -0.089 -2.983) 3.001 8.833 ( -0.407 0.847 0.130) 0.949 8.857 ( 0.048 1.382 -0.368) 1.431 8.886 ( -1.097 -0.787 -0.875) 1.609 8.930 ( 1.269 -0.518 -0.796) 1.585 9.133 ( -0.198 0.229 2.739) 2.756 9.170 ( -0.360 -0.851 2.421) 2.592 9.236 ( 0.207 0.662 -1.682) 1.819 9.279 ( 1.262 -0.594 -1.543) 2.080======================= Grid point 34 (19/33) =======================q-point: (-0.20 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 50Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.230 ( -5.844 2.385 1.894) 6.589 0.299 ( -4.694 0.134 6.465) 7.990 0.450 ( -0.701 -1.853 -0.987) 2.213 0.480 ( 0.187 -2.677 -0.002) 2.684 0.543 ( -6.161 2.291 2.751) 7.126 0.560 ( -2.779 -1.100 2.219) 3.722 0.624 ( 0.383 -3.136 0.665) 3.228 0.656 ( -1.813 0.764 -2.361) 3.073 0.679 ( 0.407 0.444 -0.202) 0.636 0.711 ( 1.545 -1.788 -1.194) 2.647 0.727 ( 2.331 0.346 -0.852) 2.506 0.740 ( 0.075 1.318 1.097) 1.716 0.778 ( -1.998 -0.560 -0.753) 2.208 0.813 ( 1.482 -0.020 0.081) 1.484 0.830 ( 2.532 -0.201 1.201) 2.810 0.847 ( 1.090 0.384 3.672) 3.850 0.864 ( -0.738 -2.924 -1.862) 3.544 0.901 ( -1.016 0.636 -0.488) 1.294 0.908 ( 1.413 -0.851 1.724) 2.386 0.916 ( 2.712 0.034 -1.435) 3.069 0.929 ( 2.039 0.664 -1.123) 2.420 0.979 ( -0.574 1.210 0.359) 1.387 1.000 ( -0.017 -0.784 0.181) 0.805 1.041 ( -0.751 0.945 -0.339) 1.254 1.052 ( 0.043 1.121 0.117) 1.128 1.058 ( -0.707 -0.158 -1.655) 1.807 1.098 ( 0.566 -0.278 -0.798) 1.017 1.117 ( -0.873 1.022 0.649) 1.493 1.127 ( -0.563 -0.419 -0.711) 0.999 1.146 ( -1.423 1.180 -0.193) 1.858 1.175 ( -1.347 0.013 0.624) 1.484 1.200 ( 0.865 1.190 0.168) 1.481 1.224 ( 0.720 0.801 -1.275) 1.669 1.255 ( -0.310 0.418 -0.900) 1.039 1.257 ( 0.703 -0.216 1.157) 1.371 1.278 ( 2.546 0.032 0.182) 2.553 1.332 ( -1.615 -0.442 -0.644) 1.794 1.340 ( -1.650 0.423 0.211) 1.716 1.353 ( 0.441 -0.271 -2.653) 2.703 1.368 ( -0.211 -0.832 1.236) 1.505 1.393 ( -0.421 -0.016 0.599) 0.732 1.421 ( 0.560 -0.816 -0.258) 1.023 1.452 ( -0.222 -0.146 -0.572) 0.631 1.481 ( 1.621 -1.548 -0.223) 2.253 1.487 ( 0.925 1.510 0.476) 1.834 1.517 ( -1.496 0.704 -0.133) 1.658 1.547 ( -0.512 -0.303 0.030) 0.595 1.570 ( 0.308 0.420 -0.427) 0.674 1.611 ( -0.178 0.285 -1.177) 1.224 1.626 ( -0.754 0.662 0.724) 1.237 1.712 ( -1.743 -2.271 -0.844) 2.985 1.748 ( 0.298 -2.070 0.074) 2.093 1.850 ( 0.531 0.317 -0.705) 0.938 1.862 ( 0.572 0.586 0.546) 0.984 1.890 ( 0.907 -0.409 0.117) 1.002 1.901 ( 0.720 -0.108 -0.599) 0.943 1.933 ( -0.076 0.136 0.185) 0.242 1.995 ( 0.716 -0.674 -0.138) 0.993 2.030 ( 0.278 0.527 0.463) 0.754 2.048 ( 2.367 -0.207 0.634) 2.459 2.074 ( -1.359 -0.517 -0.616) 1.579 2.085 ( -0.300 -0.600 -0.618) 0.912 2.169 ( -1.114 0.934 0.068) 1.455 2.238 ( -0.213 -0.427 -0.272) 0.549 2.242 ( 0.675 -0.484 0.747) 1.117 2.271 ( 1.530 -0.157 -0.577) 1.642 2.494 ( -0.110 0.096 -0.550) 0.569 2.515 ( 0.442 0.312 -0.386) 0.665 2.555 ( 0.631 -0.813 -0.395) 1.102 2.576 ( 0.641 -1.127 0.389) 1.353 2.596 ( -0.201 -0.095 0.617) 0.656 2.602 ( -0.144 0.393 -0.304) 0.517 2.613 ( 0.154 0.070 -1.120) 1.133 2.642 ( -0.476 1.140 0.127) 1.242 2.649 ( 0.172 0.656 -0.517) 0.852 2.676 ( -0.962 -0.165 -1.990) 2.216 2.696 ( -1.297 -0.956 1.139) 1.973 2.752 ( -0.712 0.396 -1.658) 1.848 2.791 ( -0.347 0.713 -1.161) 1.406 2.799 ( -0.179 0.178 -0.758) 0.799 2.813 ( 0.381 0.857 1.139) 1.475 2.851 ( 0.257 0.122 1.401) 1.429 2.895 ( 1.280 0.301 -0.244) 1.337 2.947 ( 0.420 -0.491 0.919) 1.123 2.984 ( -0.377 -0.564 1.194) 1.373 3.026 ( -1.759 -0.506 -0.963) 2.068 3.050 ( -0.128 -0.531 1.924) 2.000 3.057 ( 1.102 -0.479 2.501) 2.775 3.191 ( -0.505 -0.458 -0.620) 0.922 3.207 ( -0.345 0.060 -0.588) 0.685 3.236 ( 0.618 -0.112 0.269) 0.683 3.253 ( 0.048 -0.189 1.220) 1.235 5.385 ( -2.033 0.425 -0.079) 2.079 5.426 ( -1.266 0.054 -0.474) 1.353 5.441 ( -2.300 -0.854 0.372) 2.481 5.451 ( -2.244 -0.667 -0.504) 2.395 5.581 ( -0.842 0.412 -0.210) 0.960 5.592 ( -0.582 0.782 0.223) 1.000 5.628 ( -1.905 -0.493 0.773) 2.114 5.652 ( -2.691 -1.709 -1.155) 3.391 5.695 ( 0.343 0.124 0.087) 0.375 5.706 ( 0.520 -0.319 -0.833) 1.033 5.840 ( -0.386 0.193 0.140) 0.454 5.856 ( -0.378 -0.155 0.134) 0.430 5.874 ( -2.113 0.057 -0.326) 2.138 5.877 ( -2.171 -0.060 0.120) 2.175 6.224 ( 0.462 0.291 0.137) 0.563 6.263 ( -0.529 -0.659 -0.114) 0.853 6.274 ( -0.485 -0.045 -0.193) 0.524 6.299 ( 0.976 -0.354 -1.559) 1.873 6.360 ( 1.768 -0.205 0.355) 1.814 6.415 ( -4.485 -3.149 -3.447) 6.474 6.982 ( -0.405 0.225 0.673) 0.817 7.000 ( 0.784 -0.245 0.690) 1.073 7.095 ( -0.178 -0.040 -0.046) 0.188 7.100 ( 0.098 0.019 -0.399) 0.411 8.087 ( -0.154 2.094 -0.011) 2.099 8.115 ( -0.462 0.673 -0.691) 1.069 8.149 ( 0.458 0.381 1.360) 1.485 8.169 ( 0.662 -0.062 0.524) 0.846 8.203 ( 0.128 -0.165 -0.043) 0.213 8.208 ( -2.047 0.644 -0.956) 2.349 8.279 ( 2.520 -1.977 2.753) 4.223 8.303 ( 1.300 -0.888 -1.299) 2.042 8.822 ( -0.381 0.595 -0.279) 0.760 8.856 ( -0.764 1.739 -2.607) 3.226 8.864 ( 0.352 0.823 1.667) 1.892 8.958 ( 1.409 -0.916 -1.115) 2.017 9.156 ( 1.588 -0.395 4.249) 4.553 9.175 ( 0.084 -0.824 2.587) 2.716 9.243 ( 0.857 0.952 -1.173) 1.737 9.304 ( 1.409 -0.881 -1.433) 2.194======================= Grid point 35 (20/33) =======================q-point: ( 0.00 0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 50Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.290 ( -0.034 5.234 3.838) 6.491 0.361 ( 1.907 4.208 3.205) 5.623 0.403 ( 2.282 -1.582 3.151) 4.200 0.460 ( 0.533 -0.791 0.002) 0.954 0.495 ( 1.359 -5.450 0.956) 5.697 0.504 ( -0.300 -4.319 2.381) 4.941 0.546 ( -2.819 5.691 3.863) 7.434 0.636 ( -2.715 -3.614 0.366) 4.535 0.651 ( -1.261 3.308 -3.727) 5.141 0.692 ( -0.667 -0.521 -1.650) 1.854 0.726 ( -0.526 -1.021 -0.917) 1.469 0.736 ( -1.314 -2.394 -1.419) 3.077 0.775 ( 1.720 -0.208 -0.715) 1.874 0.778 ( 0.708 -0.413 -0.114) 0.827 0.861 ( -0.197 0.270 2.005) 2.033 0.873 ( 0.963 -0.636 1.252) 1.703 0.899 ( 0.091 0.441 1.966) 2.017 0.909 ( 1.409 -0.293 2.491) 2.877 0.935 ( 1.041 1.570 -0.441) 1.934 0.952 ( 1.283 -0.429 -0.765) 1.554 0.962 ( -0.508 1.167 0.657) 1.433 0.989 ( 1.015 0.241 -1.269) 1.643 1.025 ( 0.427 0.392 -0.285) 0.646 1.031 ( -1.590 1.473 0.280) 2.186 1.058 ( -0.621 -0.139 -1.483) 1.614 1.070 ( 0.350 -0.061 -1.891) 1.924 1.075 ( 1.400 0.035 -2.296) 2.690 1.084 ( -0.846 -1.777 -0.646) 2.071 1.147 ( -0.161 2.389 0.373) 2.424 1.157 ( -0.001 0.752 0.259) 0.796 1.184 ( -0.040 1.287 1.935) 2.324 1.214 ( -0.915 0.573 -0.120) 1.087 1.221 ( -0.467 -0.597 0.214) 0.788 1.226 ( -0.744 -2.360 1.085) 2.702 1.289 ( 0.129 1.513 -2.962) 3.328 1.307 ( 0.043 -0.213 -1.918) 1.931 1.322 ( 0.402 0.029 -0.015) 0.404 1.327 ( 0.064 -0.393 -0.529) 0.662 1.341 ( 0.251 0.079 -1.183) 1.212 1.346 ( 0.233 -0.926 -0.916) 1.323 1.375 ( -0.849 0.344 1.350) 1.631 1.399 ( 0.467 -1.862 0.332) 1.948 1.454 ( -0.333 0.149 0.293) 0.468 1.462 ( 0.225 -0.721 0.315) 0.818 1.514 ( 0.406 1.118 -0.112) 1.195 1.526 ( -0.026 0.411 -0.701) 0.813 1.542 ( -0.416 1.049 0.665) 1.310 1.565 ( -1.033 -0.709 -0.212) 1.270 1.627 ( 0.262 0.891 -0.598) 1.104 1.634 ( 0.757 0.802 -1.155) 1.596 1.667 ( 1.481 -1.521 0.940) 2.321 1.691 ( -0.405 -2.760 -0.357) 2.813 1.863 ( -0.161 0.321 0.262) 0.445 1.871 ( 0.380 -0.469 0.069) 0.608 1.900 ( 0.114 0.101 -0.265) 0.306 1.902 ( -0.204 -0.048 -0.246) 0.323 1.956 ( 0.632 1.104 0.510) 1.371 1.978 ( -0.074 -1.118 0.158) 1.132 2.005 ( -1.747 0.588 -2.148) 2.830 2.020 ( -1.484 -0.895 -2.136) 2.751 2.093 ( 0.606 0.293 0.779) 1.030 2.096 ( 0.368 0.006 0.649) 0.747 2.183 ( 0.229 0.829 0.795) 1.171 2.200 ( -0.790 -1.023 0.775) 1.508 2.260 ( 0.088 0.886 -0.845) 1.228 2.276 ( 0.021 -0.768 -1.043) 1.296 2.501 ( -0.044 0.571 -1.669) 1.765 2.510 ( -0.344 -0.488 -1.776) 1.873 2.560 ( -0.257 0.160 1.009) 1.054 2.570 ( 0.853 -0.835 0.906) 1.499 2.597 ( 1.450 0.238 -0.204) 1.484 2.604 ( 0.707 -0.232 -0.220) 0.775 2.607 ( -0.839 0.133 -0.040) 0.850 2.614 ( -1.528 -0.780 -0.770) 1.880 2.660 ( 0.443 0.978 0.452) 1.165 2.674 ( 0.415 -0.467 0.600) 0.866 2.688 ( -0.647 1.560 -0.836) 1.884 2.714 ( -0.701 -1.157 -1.534) 2.045 2.804 ( 0.737 0.743 -0.281) 1.083 2.810 ( 0.676 0.297 -0.377) 0.829 2.838 ( -0.238 0.477 1.055) 1.182 2.845 ( -0.681 -0.208 0.690) 0.991 2.923 ( 0.583 0.619 1.621) 1.830 2.943 ( 0.562 -1.390 1.276) 1.969 2.976 ( -1.009 1.110 0.859) 1.729 2.994 ( -0.507 -0.688 -0.148) 0.867 3.050 ( 0.181 -0.094 1.605) 1.618 3.056 ( -0.194 -0.663 1.634) 1.774 3.196 ( 0.304 0.512 -0.077) 0.601 3.204 ( 0.336 -0.179 -0.488) 0.619 3.243 ( -0.623 0.453 1.138) 1.374 3.251 ( 0.155 -0.362 0.679) 0.785 5.365 ( 0.136 0.275 -0.483) 0.572 5.371 ( -0.072 -0.295 -0.717) 0.778 5.421 ( -0.461 0.178 0.822) 0.959 5.424 ( 0.276 -0.141 0.731) 0.794 5.587 ( 0.081 0.587 0.035) 0.594 5.593 ( 0.069 0.202 -0.294) 0.363 5.599 ( 0.009 -0.255 0.027) 0.257 5.600 ( -0.411 -0.227 -0.048) 0.472 5.703 ( 0.005 0.325 -0.104) 0.341 5.711 ( 0.272 -0.446 -0.375) 0.643 5.833 ( -0.299 0.120 0.395) 0.510 5.837 ( -0.288 -0.260 0.346) 0.520 5.860 ( 0.279 0.337 -0.173) 0.470 5.865 ( 0.263 -0.103 -0.303) 0.414 6.237 ( 0.559 0.094 0.833) 1.007 6.243 ( 0.736 -0.554 1.103) 1.436 6.282 ( 0.898 0.872 -0.748) 1.458 6.294 ( 0.477 -0.445 -0.393) 0.762 6.360 ( -1.471 0.469 -0.538) 1.635 6.368 ( -0.859 -0.371 -0.556) 1.088 6.988 ( 0.126 0.410 1.600) 1.657 6.999 ( 0.189 -0.910 1.672) 1.913 7.093 ( -0.088 0.431 -0.837) 0.945 7.100 ( 0.176 -0.337 -0.859) 0.940 8.120 ( -0.110 1.176 -0.323) 1.225 8.129 ( 0.278 0.495 -0.644) 0.858 8.155 ( -0.578 0.479 0.637) 0.984 8.170 ( -0.254 -0.870 0.809) 1.215 8.183 ( -0.990 0.856 -0.220) 1.327 8.198 ( -0.438 -0.668 -0.565) 0.978 8.279 ( 0.066 0.422 0.340) 0.546 8.297 ( 1.036 -1.388 -0.443) 1.788 8.833 ( 0.313 0.654 0.431) 0.844 8.843 ( -0.068 -0.210 0.478) 0.527 8.920 ( 0.567 1.210 -1.952) 2.365 8.944 ( -0.044 -1.336 -2.026) 2.427 9.168 ( -0.341 -0.231 2.731) 2.761 9.173 ( -0.056 -0.935 3.773) 3.887 9.273 ( 0.335 1.022 -1.187) 1.602 9.294 ( 0.185 -1.237 -1.557) 1.997======================= Grid point 36 (21/33) =======================q-point: ( 0.20 0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 50Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.322 ( 1.320 3.951 2.458) 4.837 0.379 ( -1.139 -0.725 -0.335) 1.391 0.433 ( 1.752 2.910 -1.081) 3.565 0.458 ( -0.160 -2.831 -2.303) 3.653 0.497 ( 1.878 -2.235 3.300) 4.406 0.545 ( 0.422 -2.346 5.517) 6.010 0.623 ( 4.235 0.473 3.967) 5.823 0.641 ( 0.749 1.230 -2.256) 2.676 0.653 ( 2.929 -1.096 1.090) 3.312 0.675 ( 0.718 -0.699 0.576) 1.156 0.698 ( -1.367 -1.397 -2.618) 3.267 0.709 ( 0.278 -1.856 -1.352) 2.313 0.782 ( -1.391 -0.461 0.374) 1.512 0.789 ( 0.333 -0.893 1.010) 1.389 0.840 ( -1.767 2.292 0.343) 2.914 0.873 ( -2.015 -1.296 1.249) 2.702 0.888 ( -0.239 1.672 -0.085) 1.691 0.920 ( -0.827 -0.779 0.723) 1.347 0.929 ( -0.963 1.629 0.956) 2.120 0.937 ( -0.983 0.831 -0.671) 1.451 0.970 ( -0.459 -1.090 0.105) 1.187 0.974 ( -1.794 -0.485 -1.151) 2.186 0.999 ( -1.315 2.244 -1.509) 3.007 1.035 ( 0.199 -0.381 0.118) 0.446 1.045 ( 0.107 0.436 -1.472) 1.539 1.077 ( 0.582 1.341 -1.471) 2.074 1.080 ( 0.911 -2.032 -1.664) 2.780 1.101 ( 0.981 -0.729 -1.297) 1.783 1.151 ( -0.821 1.599 1.094) 2.104 1.155 ( -0.270 0.629 1.501) 1.650 1.182 ( -0.461 0.867 1.661) 1.930 1.206 ( -0.500 -0.808 0.082) 0.954 1.209 ( 1.323 1.013 -0.958) 1.922 1.236 ( 1.391 -1.883 0.274) 2.357 1.275 ( -1.218 1.153 -1.277) 2.108 1.292 ( -1.675 0.018 -0.408) 1.724 1.310 ( 0.737 -0.165 -0.881) 1.160 1.320 ( 1.333 -1.008 -1.490) 2.239 1.363 ( 1.229 0.958 -0.099) 1.562 1.380 ( 1.431 -0.627 0.261) 1.584 1.390 ( 2.166 0.601 -0.215) 2.258 1.411 ( 0.692 -1.401 0.484) 1.635 1.442 ( -0.580 1.062 -0.368) 1.265 1.458 ( -0.494 -0.575 0.002) 0.758 1.512 ( -0.688 1.120 -0.286) 1.345 1.538 ( -0.873 -1.380 -0.774) 1.807 1.548 ( 1.868 1.660 0.191) 2.506 1.567 ( 1.779 -0.278 0.446) 1.855 1.624 ( 0.288 1.817 -0.698) 1.967 1.648 ( 0.493 -0.266 -0.269) 0.621 1.681 ( -0.401 -1.516 -0.962) 1.840 1.693 ( 0.543 -2.220 0.119) 2.289 1.856 ( -0.512 0.899 0.230) 1.059 1.869 ( -0.784 -0.566 0.460) 1.071 1.884 ( -1.193 0.465 -0.327) 1.322 1.894 ( -0.609 -0.440 -0.484) 0.893 1.953 ( -0.523 0.307 -0.321) 0.687 1.963 ( -0.850 -0.676 -0.528) 1.208 2.006 ( 1.583 1.106 0.821) 2.099 2.029 ( 1.999 -1.381 0.324) 2.451 2.072 ( -2.130 0.484 -0.423) 2.224 2.085 ( -1.533 -0.825 -0.239) 1.757 2.193 ( 0.161 0.500 0.261) 0.586 2.199 ( 0.799 -0.017 0.805) 1.134 2.253 ( -0.492 0.338 -0.417) 0.729 2.262 ( -1.044 -0.626 -0.621) 1.367 2.506 ( -0.373 0.206 -0.653) 0.780 2.511 ( 0.992 -0.066 -0.269) 1.030 2.542 ( -1.732 0.165 0.041) 1.740 2.560 ( -0.764 -1.202 0.181) 1.436 2.585 ( 0.113 0.027 -1.180) 1.186 2.586 ( 0.220 -0.128 -1.331) 1.355 2.618 ( 0.757 0.812 0.380) 1.174 2.634 ( 1.090 -0.951 0.263) 1.471 2.670 ( -0.184 2.016 -0.072) 2.026 2.689 ( 0.844 0.736 0.358) 1.176 2.709 ( 0.519 -0.544 -0.223) 0.785 2.724 ( 1.706 -1.332 -0.278) 2.183 2.792 ( -1.317 0.996 -0.576) 1.749 2.805 ( -1.189 -0.414 -0.728) 1.454 2.845 ( 1.058 1.101 0.616) 1.646 2.864 ( 1.420 -0.914 0.646) 1.808 2.930 ( -0.202 0.706 0.214) 0.765 2.936 ( -1.022 0.019 0.539) 1.155 2.958 ( -0.639 0.484 2.078) 2.228 2.978 ( -1.361 -1.310 0.115) 1.893 3.057 ( 0.223 0.092 1.170) 1.194 3.062 ( 0.175 -0.366 1.182) 1.250 3.201 ( 0.220 0.653 -0.025) 0.689 3.213 ( 0.558 -0.511 -0.391) 0.852 3.235 ( -0.138 0.679 0.507) 0.858 3.249 ( -0.524 -0.702 0.714) 1.130 5.397 ( 2.405 0.063 -0.175) 2.412 5.400 ( 2.259 -0.296 -0.547) 2.343 5.435 ( 1.419 0.843 0.323) 1.682 5.451 ( 1.728 -0.875 0.351) 1.968 5.586 ( 0.425 0.515 -0.276) 0.723 5.595 ( 0.494 -0.396 -0.227) 0.673 5.616 ( 1.520 0.848 0.484) 1.806 5.633 ( 2.279 -0.982 0.484) 2.528 5.697 ( -0.431 0.356 -0.144) 0.577 5.705 ( -0.482 -0.639 -0.346) 0.872 5.844 ( 0.770 0.031 0.287) 0.822 5.847 ( 0.604 -0.298 0.301) 0.738 5.878 ( 1.834 0.178 -0.294) 1.866 5.881 ( 1.715 -0.074 -0.190) 1.727 6.255 ( 0.420 0.232 0.137) 0.499 6.260 ( 0.730 -0.318 0.192) 0.819 6.292 ( -0.717 1.047 -0.755) 1.477 6.306 ( -2.114 -0.108 -1.687) 2.707 6.332 ( -0.612 -0.149 1.311) 1.454 6.347 ( 2.544 -1.721 -0.570) 3.124 6.998 ( 0.369 0.448 0.803) 0.991 7.009 ( 0.282 -0.774 0.734) 1.104 7.088 ( -0.123 0.605 -0.487) 0.787 7.099 ( -0.087 -0.563 -0.488) 0.750 8.118 ( -0.003 1.138 0.196) 1.155 8.132 ( 0.317 -0.126 -0.435) 0.553 8.148 ( -0.337 0.623 0.531) 0.885 8.152 ( -1.222 0.725 0.826) 1.643 8.175 ( -0.362 -0.408 0.569) 0.788 8.184 ( -0.655 -0.974 -0.465) 1.263 8.280 ( 0.126 1.681 -0.054) 1.687 8.310 ( 0.233 -1.567 -0.516) 1.666 8.846 ( 0.680 0.426 0.382) 0.889 8.847 ( 0.424 0.637 -0.099) 0.772 8.914 ( -0.651 0.153 -0.990) 1.195 8.927 ( -0.824 -0.986 -1.780) 2.195 9.160 ( -1.114 0.068 2.476) 2.716 9.169 ( -1.077 -1.056 3.208) 3.544 9.267 ( -0.518 0.764 -1.225) 1.534 9.282 ( -0.786 -0.893 -1.716) 2.088======================= Grid point 37 (22/33) =======================q-point: ( 0.40 0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 50Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.315 ( -0.660 1.268 -1.276) 1.916 0.365 ( -1.368 -2.535 -1.140) 3.098 0.469 ( 2.303 -0.956 -1.330) 2.825 0.479 ( 1.983 -1.680 0.383) 2.627 0.550 ( 1.262 0.470 5.180) 5.353 0.583 ( -2.221 -0.432 -1.783) 2.881 0.607 ( 0.444 -1.235 1.959) 2.358 0.639 ( 2.144 -2.620 1.942) 3.903 0.647 ( -1.531 0.591 -0.783) 1.819 0.671 ( -0.410 -1.078 0.493) 1.254 0.712 ( -1.164 -0.186 -1.510) 1.916 0.717 ( -0.874 -0.571 -0.634) 1.221 0.794 ( -1.825 1.547 -0.797) 2.522 0.812 ( -0.871 -0.423 -0.950) 1.356 0.829 ( 2.526 1.090 0.362) 2.775 0.841 ( 1.779 -0.044 1.062) 2.072 0.882 ( -0.321 -0.012 0.399) 0.512 0.897 ( -1.036 -0.659 1.355) 1.829 0.932 ( -0.434 0.638 -0.918) 1.199 0.936 ( 1.028 0.542 -1.023) 1.549 0.938 ( 0.027 1.022 0.104) 1.028 0.951 ( -0.616 1.910 -0.554) 2.082 0.992 ( 0.712 -1.231 -0.682) 1.577 1.011 ( -1.123 -2.582 -0.608) 2.880 1.054 ( -0.579 1.490 0.220) 1.614 1.079 ( 0.264 0.338 -0.966) 1.057 1.089 ( 0.233 -0.925 1.122) 1.473 1.100 ( -0.996 -1.017 -0.056) 1.425 1.138 ( 0.561 1.846 0.665) 2.041 1.153 ( -0.289 -0.126 0.891) 0.945 1.181 ( -0.167 0.401 0.271) 0.512 1.197 ( -0.087 -0.596 0.138) 0.618 1.232 ( -0.615 0.308 -0.340) 0.767 1.238 ( 0.085 -0.064 -1.672) 1.675 1.280 ( 1.429 1.732 0.295) 2.265 1.299 ( 1.751 -0.371 -0.362) 1.826 1.333 ( 1.345 -0.096 -0.195) 1.363 1.339 ( 0.471 -0.808 -0.522) 1.071 1.374 ( -0.548 1.222 -1.004) 1.674 1.392 ( -0.934 -0.576 -0.149) 1.107 1.418 ( 0.579 0.339 0.157) 0.689 1.427 ( 0.476 -0.514 -0.035) 0.702 1.440 ( 1.169 1.221 -1.079) 2.005 1.453 ( 0.142 -0.092 -1.272) 1.283 1.500 ( -0.225 0.434 -0.060) 0.493 1.515 ( -0.657 -0.890 -0.706) 1.312 1.585 ( 0.993 1.152 0.288) 1.548 1.594 ( 0.356 0.151 0.272) 0.473 1.640 ( 0.989 1.977 0.486) 2.263 1.657 ( 0.378 0.895 -0.011) 0.971 1.682 ( 0.916 -2.097 -0.023) 2.288 1.695 ( 0.032 -2.725 -0.172) 2.731 1.849 ( -0.551 0.364 0.437) 0.792 1.851 ( -0.625 0.052 0.139) 0.642 1.865 ( -0.032 0.796 -0.548) 0.966 1.884 ( -0.086 -0.897 -0.066) 0.903 1.951 ( 0.271 -0.005 -0.097) 0.288 1.952 ( -0.125 -0.256 0.249) 0.378 2.005 ( -2.445 0.850 -0.405) 2.620 2.023 ( -1.875 -0.775 -1.750) 2.680 2.071 ( 1.270 -0.589 1.322) 1.926 2.075 ( 1.103 -0.739 0.939) 1.626 2.199 ( 0.208 0.601 0.583) 0.863 2.213 ( 0.011 -0.742 0.607) 0.959 2.242 ( -0.234 0.412 -0.527) 0.709 2.247 ( 0.026 -0.005 -0.406) 0.406 2.496 ( -0.113 0.290 0.066) 0.318 2.511 ( -0.417 -1.027 -0.015) 1.108 2.532 ( 0.471 0.996 -0.005) 1.102 2.561 ( 0.392 -1.602 -0.037) 1.650 2.591 ( 0.660 0.789 -0.170) 1.042 2.599 ( -0.033 0.095 0.259) 0.277 2.623 ( -0.150 1.402 -0.132) 1.416 2.647 ( 0.321 -1.049 0.122) 1.104 2.675 ( 0.340 2.101 -0.661) 2.229 2.685 ( -0.759 1.243 -0.105) 1.460 2.719 ( 0.708 -1.298 -0.161) 1.487 2.721 ( -1.158 -1.290 0.224) 1.748 2.782 ( 0.312 0.808 -0.381) 0.946 2.787 ( -0.231 0.175 -0.647) 0.709 2.855 ( -0.214 0.845 0.303) 0.923 2.866 ( -1.020 -0.244 0.589) 1.203 2.911 ( -0.732 0.223 -1.373) 1.572 2.920 ( -1.022 -0.539 -1.372) 1.794 2.973 ( 1.151 0.196 2.468) 2.730 2.984 ( 1.751 -0.953 2.679) 3.339 3.052 ( -0.815 0.794 0.423) 1.214 3.067 ( -0.236 -0.776 0.303) 0.866 3.201 ( -0.257 0.559 0.122) 0.627 3.213 ( -0.397 -0.516 -0.353) 0.740 3.240 ( 0.154 -0.056 0.236) 0.287 3.243 ( 0.046 -0.304 -0.126) 0.332 5.431 ( 0.951 0.416 0.082) 1.041 5.439 ( 1.254 -0.398 0.087) 1.318 5.460 ( 0.735 0.766 -0.134) 1.070 5.475 ( 0.546 -0.805 -0.120) 0.980 5.602 ( 1.035 0.661 -0.084) 1.231 5.612 ( 0.858 -0.074 -0.122) 0.869 5.642 ( 0.670 0.519 0.797) 1.163 5.662 ( 0.186 -1.264 0.514) 1.377 5.693 ( 0.148 0.253 0.012) 0.293 5.700 ( 0.057 -0.502 -0.064) 0.509 5.852 ( 0.001 -0.025 0.159) 0.161 5.852 ( 0.049 -0.050 0.049) 0.085 5.921 ( 1.743 0.016 -0.138) 1.749 5.923 ( 1.810 -0.152 -0.169) 1.824 6.236 ( -1.778 0.569 0.256) 1.884 6.249 ( -1.752 -0.828 0.041) 1.938 6.272 ( 0.108 0.407 0.693) 0.811 6.279 ( -0.096 -0.271 0.740) 0.794 6.337 ( 0.441 2.530 -0.861) 2.708 6.402 ( 1.991 -4.491 -3.042) 5.779 7.001 ( -0.062 0.430 -0.546) 0.697 7.009 ( -0.249 -0.382 -0.764) 0.890 7.090 ( 0.315 0.335 0.433) 0.631 7.097 ( -0.047 -0.346 0.282) 0.449 8.121 ( 0.060 1.290 0.639) 1.441 8.137 ( 0.006 0.857 0.056) 0.859 8.140 ( -0.219 -0.366 1.216) 1.289 8.145 ( -0.015 -0.020 0.407) 0.408 8.174 ( 0.309 -0.329 0.752) 0.877 8.179 ( 0.305 -0.812 0.928) 1.271 8.279 ( -0.172 1.230 -1.034) 1.616 8.300 ( -0.906 -1.026 -1.478) 2.015 8.853 ( 0.195 0.914 0.068) 0.937 8.863 ( 0.868 0.169 -0.495) 1.014 8.896 ( -0.830 0.221 -0.193) 0.881 8.911 ( -0.236 -0.958 -1.115) 1.489 9.145 ( -0.905 0.413 2.252) 2.462 9.157 ( -0.833 -0.931 2.538) 2.829 9.253 ( -0.342 0.554 -1.534) 1.667 9.263 ( -0.334 -0.593 -1.742) 1.870======================= Grid point 38 (23/33) =======================q-point: (-0.40 0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 50Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.307 ( -0.424 -0.865 -0.534) 1.101 0.331 ( -0.930 -2.487 -2.928) 3.953 0.448 ( -3.280 -0.303 0.260) 3.304 0.470 ( -3.549 -1.783 -0.132) 3.974 0.539 ( -0.902 0.862 3.528) 3.742 0.564 ( -3.097 -0.720 1.469) 3.503 0.621 ( 3.667 0.410 -0.321) 3.704 0.650 ( 1.260 -0.701 1.041) 1.778 0.686 ( 3.357 -0.023 0.019) 3.357 0.705 ( 0.842 0.887 -0.316) 1.264 0.727 ( 1.556 -1.270 1.237) 2.359 0.736 ( 2.813 -2.540 0.871) 3.889 0.775 ( -2.312 0.019 -1.628) 2.828 0.780 ( 0.797 -0.999 -2.739) 3.023 0.818 ( -0.775 1.463 -0.271) 1.678 0.844 ( -1.126 -1.535 -1.226) 2.264 0.868 ( -2.314 0.906 1.911) 3.135 0.880 ( -1.833 0.080 2.670) 3.240 0.917 ( 0.046 1.606 -1.187) 1.998 0.930 ( -0.805 1.047 -0.477) 1.404 0.938 ( 0.000 1.592 -1.093) 1.931 0.962 ( 1.580 0.748 -0.881) 1.957 0.992 ( -1.155 -0.358 -0.299) 1.245 1.020 ( 0.997 -2.220 -0.584) 2.503 1.044 ( -1.218 -0.448 0.584) 1.423 1.063 ( 1.062 -1.618 -0.194) 1.945 1.094 ( 0.034 1.232 0.597) 1.370 1.116 ( 0.758 -0.773 0.560) 1.219 1.163 ( 0.836 1.209 1.143) 1.862 1.173 ( 1.066 0.130 0.444) 1.162 1.189 ( 0.827 0.408 0.356) 0.988 1.193 ( 0.854 -0.042 -0.293) 0.904 1.220 ( -0.431 0.720 -0.522) 0.988 1.227 ( 0.115 -0.186 -1.242) 1.261 1.300 ( -1.512 0.510 0.993) 1.880 1.306 ( -2.441 -0.026 -0.279) 2.457 1.317 ( 0.988 1.404 -0.415) 1.766 1.345 ( -0.417 -0.873 0.059) 0.970 1.360 ( -0.220 0.015 -1.679) 1.694 1.370 ( -0.250 -0.683 -1.914) 2.048 1.418 ( -0.695 0.889 0.005) 1.128 1.431 ( -0.394 -0.463 0.185) 0.636 1.450 ( -0.039 0.272 -1.089) 1.123 1.455 ( 0.239 -0.069 -0.994) 1.024 1.497 ( 0.213 1.129 0.515) 1.259 1.516 ( 0.958 -0.820 -0.761) 1.473 1.574 ( -1.900 0.677 0.089) 2.018 1.582 ( -1.320 -0.024 0.484) 1.406 1.646 ( -0.378 2.067 0.299) 2.122 1.661 ( -0.382 1.238 0.032) 1.296 1.698 ( 0.083 -2.056 -0.056) 2.058 1.701 ( 0.096 -2.654 -0.094) 2.657 1.848 ( 0.747 0.460 0.261) 0.915 1.854 ( 0.925 -0.201 0.151) 0.959 1.879 ( 0.449 0.229 -0.073) 0.509 1.883 ( -0.036 -0.240 -0.401) 0.469 1.947 ( -0.603 0.654 -0.168) 0.905 1.964 ( 0.687 -0.974 0.326) 1.236 1.980 ( 1.856 1.090 -0.020) 2.152 2.007 ( 1.100 -1.330 -1.338) 2.184 2.084 ( -0.332 -0.321 0.928) 1.036 2.087 ( -0.368 -0.466 0.532) 0.797 2.205 ( -0.238 0.346 0.645) 0.769 2.212 ( 0.311 -0.438 0.580) 0.790 2.245 ( 0.423 0.260 -0.430) 0.657 2.248 ( 0.155 0.041 -0.555) 0.578 2.502 ( 0.466 0.597 0.069) 0.761 2.513 ( 0.441 0.106 -0.556) 0.718 2.538 ( 0.098 -0.872 0.677) 1.108 2.549 ( -1.238 -1.178 -0.739) 1.862 2.595 ( 0.317 0.968 1.097) 1.497 2.607 ( 0.448 -0.106 1.739) 1.799 2.629 ( 0.354 1.643 -1.682) 2.378 2.651 ( 0.804 -0.229 -1.496) 1.713 2.663 ( -0.609 0.448 -0.405) 0.858 2.686 ( -0.508 -0.727 0.073) 0.890 2.700 ( -0.269 1.484 0.823) 1.718 2.737 ( 0.718 -1.568 -0.135) 1.730 2.793 ( 0.988 0.514 -0.942) 1.458 2.794 ( 1.199 0.380 -1.082) 1.659 2.841 ( -1.137 0.567 0.406) 1.334 2.849 ( -0.810 -0.133 1.160) 1.421 2.897 ( -0.076 0.670 -0.571) 0.883 2.915 ( 0.431 -1.076 -0.439) 1.240 3.007 ( -0.561 0.331 1.799) 1.913 3.010 ( 1.353 -0.056 2.435) 2.786 3.041 ( -0.052 -0.054 0.615) 0.620 3.050 ( -1.200 -0.855 -0.452) 1.542 3.195 ( -0.274 0.236 -0.014) 0.361 3.205 ( -0.241 -0.619 -0.240) 0.707 3.239 ( -0.143 0.339 0.005) 0.368 3.245 ( 0.070 -0.278 0.088) 0.300 5.433 ( -0.867 0.881 0.127) 1.243 5.446 ( -0.431 -0.332 -0.145) 0.564 5.459 ( -0.762 0.170 0.313) 0.841 5.470 ( -1.025 -0.814 -0.355) 1.356 5.612 ( -0.462 0.738 -0.357) 0.941 5.615 ( -0.220 0.684 -0.092) 0.724 5.644 ( -0.964 -0.475 1.108) 1.543 5.655 ( -0.800 -1.365 0.442) 1.643 5.695 ( -0.087 0.155 0.035) 0.181 5.698 ( -0.198 -0.286 -0.116) 0.367 5.850 ( -0.182 0.164 0.111) 0.269 5.853 ( 0.007 -0.190 0.099) 0.214 5.921 ( -1.748 0.060 -0.115) 1.753 5.923 ( -1.839 -0.158 -0.197) 1.857 6.230 ( 0.387 0.429 0.183) 0.606 6.239 ( 0.767 -0.503 0.199) 0.939 6.278 ( 0.047 0.318 0.494) 0.589 6.286 ( 0.627 -0.618 0.895) 1.255 6.337 ( 0.341 2.466 -0.843) 2.628 6.400 ( -0.915 -4.468 -3.143) 5.539 6.996 ( -0.312 0.267 -0.439) 0.601 6.999 ( -0.438 -0.078 -0.731) 0.856 7.097 ( 0.067 0.057 0.389) 0.399 7.098 ( 0.096 -0.064 0.216) 0.245 8.120 ( -0.193 1.286 0.332) 1.342 8.134 ( -0.462 -0.094 0.307) 0.563 8.144 ( 0.501 0.622 0.800) 1.131 8.153 ( 0.594 -0.319 0.320) 0.746 8.191 ( 0.864 0.073 1.284) 1.549 8.202 ( 1.269 -1.059 2.511) 3.006 8.264 ( -1.050 0.809 -1.607) 2.083 8.278 ( -0.190 -0.664 -2.477) 2.571 8.850 ( -0.606 0.968 -0.029) 1.143 8.868 ( -0.663 -1.020 -0.371) 1.272 8.888 ( 0.579 1.686 -0.505) 1.852 8.915 ( 0.913 -1.163 -0.870) 1.716 9.140 ( -0.187 0.552 2.489) 2.556 9.154 ( -0.226 -0.849 2.339) 2.499 9.249 ( 0.546 0.820 -1.624) 1.900 9.265 ( 0.937 -0.850 -1.615) 2.051======================= Grid point 39 (24/33) =======================q-point: (-0.20 0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 50Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.299 ( -0.194 4.017 -1.845) 4.425 0.319 ( 0.142 1.898 3.557) 4.034 0.403 ( -2.120 -3.118 0.363) 3.788 0.411 ( 0.359 -2.920 0.603) 3.003 0.511 ( -2.424 -1.781 1.509) 3.365 0.526 ( -1.281 -3.331 2.525) 4.372 0.653 ( -6.668 3.598 5.340) 9.270 0.679 ( 0.183 0.379 -0.947) 1.036 0.693 ( 0.004 0.632 -2.008) 2.105 0.707 ( 1.500 1.220 -0.358) 1.966 0.734 ( -3.206 -0.828 -0.258) 3.321 0.736 ( -0.183 0.832 -0.008) 0.852 0.762 ( 1.321 -1.074 -0.420) 1.754 0.780 ( -0.967 -3.208 -3.584) 4.906 0.833 ( 2.655 0.506 1.322) 3.009 0.841 ( 2.778 0.211 1.313) 3.080 0.851 ( -0.048 0.568 2.549) 2.612 0.883 ( 0.499 -1.763 2.327) 2.962 0.917 ( 0.523 1.037 -0.226) 1.183 0.928 ( 0.975 0.315 -1.206) 1.583 0.952 ( 1.617 1.776 -0.570) 2.468 0.979 ( 0.088 -0.353 -1.403) 1.449 1.000 ( 2.250 -0.061 -1.091) 2.501 1.024 ( 0.997 -2.258 -0.523) 2.523 1.054 ( 1.060 0.792 -1.129) 1.739 1.073 ( -0.178 0.382 -1.634) 1.687 1.091 ( -0.382 -0.261 0.482) 0.668 1.102 ( -1.259 -0.674 -1.117) 1.813 1.166 ( -1.416 2.156 0.954) 2.750 1.171 ( -1.369 0.921 0.030) 1.650 1.181 ( -0.197 0.635 1.223) 1.392 1.207 ( 1.091 -0.878 0.417) 1.461 1.244 ( -0.612 0.967 0.283) 1.179 1.250 ( -2.048 0.044 0.943) 2.255 1.267 ( 1.416 0.452 -1.135) 1.870 1.275 ( 3.018 -0.374 -0.585) 3.097 1.329 ( -1.544 0.303 -1.084) 1.911 1.341 ( -1.720 -0.623 -1.959) 2.680 1.345 ( 0.801 -0.142 -1.266) 1.505 1.350 ( 0.352 -0.743 0.010) 0.822 1.400 ( -1.378 0.570 0.919) 1.752 1.409 ( -1.558 -0.450 0.394) 1.669 1.448 ( 0.056 -0.163 -0.448) 0.480 1.455 ( 0.541 -1.017 0.133) 1.160 1.518 ( 0.659 1.427 -0.563) 1.670 1.536 ( -1.246 0.403 -0.185) 1.322 1.539 ( 0.897 0.477 -0.093) 1.020 1.567 ( 0.554 -1.060 0.263) 1.225 1.625 ( -1.322 1.482 -0.988) 2.219 1.651 ( -0.418 1.879 0.525) 1.995 1.665 ( -2.274 -2.335 -1.080) 3.434 1.700 ( -0.283 -2.856 -0.083) 2.871 1.858 ( 0.200 0.539 0.151) 0.595 1.868 ( 0.103 -0.252 0.560) 0.622 1.887 ( 1.032 0.348 -0.108) 1.094 1.896 ( 0.832 -0.408 -0.474) 1.041 1.945 ( 0.328 1.232 -0.341) 1.320 1.973 ( 0.358 -1.583 -0.474) 1.691 2.041 ( 1.572 0.635 0.966) 1.951 2.047 ( 1.992 0.013 0.482) 2.050 2.066 ( -1.357 -0.254 -1.149) 1.796 2.070 ( 0.177 -0.759 -0.232) 0.813 2.190 ( -1.004 1.240 0.412) 1.648 2.214 ( -0.629 -1.350 0.862) 1.721 2.252 ( 0.742 0.730 -0.682) 1.245 2.264 ( 1.217 -0.587 -0.606) 1.481 2.505 ( 0.305 1.031 -0.809) 1.345 2.525 ( -0.414 -0.069 -0.973) 1.060 2.535 ( 1.462 -0.471 0.134) 1.542 2.552 ( 0.677 -1.357 0.544) 1.611 2.596 ( -0.511 0.289 -0.539) 0.797 2.601 ( -1.454 -0.258 -0.776) 1.668 2.625 ( -0.178 0.823 -0.421) 0.941 2.642 ( -0.923 -0.950 -0.946) 1.628 2.663 ( -0.013 1.074 0.254) 1.104 2.680 ( -0.349 -0.826 0.934) 1.295 2.701 ( -0.190 2.223 -0.058) 2.232 2.739 ( -0.635 -1.636 -0.646) 1.870 2.801 ( -0.070 0.396 -1.067) 1.140 2.804 ( -0.209 0.172 -1.336) 1.363 2.832 ( 0.378 1.059 1.069) 1.551 2.848 ( 0.322 -0.541 1.195) 1.351 2.904 ( 0.666 0.771 0.809) 1.301 2.924 ( 0.425 -1.445 1.484) 2.114 2.991 ( -0.931 1.032 0.667) 1.542 3.011 ( -1.119 -1.038 -0.404) 1.579 3.045 ( -0.054 -0.040 1.445) 1.446 3.048 ( 0.558 -0.366 1.881) 1.996 3.192 ( 0.023 0.427 -0.092) 0.437 3.202 ( 0.016 -0.533 -0.266) 0.596 3.240 ( 0.278 0.489 0.431) 0.709 3.249 ( 0.070 -0.363 0.677) 0.772 5.396 ( -2.437 0.823 -0.325) 2.593 5.414 ( -2.861 -1.125 -0.667) 3.145 5.436 ( -1.290 0.316 0.395) 1.386 5.443 ( -1.512 -0.416 0.570) 1.669 5.593 ( -0.905 0.797 -0.492) 1.303 5.603 ( -0.835 0.112 -0.146) 0.855 5.617 ( -1.470 -0.295 0.218) 1.515 5.627 ( -1.977 -0.966 0.793) 2.339 5.697 ( 0.418 0.154 -0.128) 0.464 5.701 ( 0.549 -0.229 -0.378) 0.704 5.845 ( -0.428 0.336 0.395) 0.672 5.852 ( -0.435 -0.321 0.356) 0.647 5.875 ( -1.958 0.062 -0.368) 1.993 5.876 ( -1.942 -0.041 -0.238) 1.957 6.231 ( 0.009 0.471 -0.014) 0.471 6.244 ( -0.545 -0.984 -0.285) 1.160 6.280 ( -0.152 0.658 -0.382) 0.776 6.292 ( 0.113 -0.511 -0.580) 0.782 6.360 ( 1.422 0.349 0.269) 1.488 6.375 ( -0.527 -1.325 -0.384) 1.477 6.987 ( -0.404 0.358 0.698) 0.882 6.994 ( -0.048 -0.373 0.736) 0.826 7.096 ( -0.090 0.137 -0.276) 0.321 7.099 ( 0.092 -0.141 -0.524) 0.550 8.120 ( 0.167 1.241 -0.192) 1.267 8.127 ( -0.107 0.385 -0.247) 0.470 8.157 ( 0.347 0.427 1.071) 1.204 8.164 ( 0.360 -0.389 0.424) 0.679 8.201 ( -0.184 0.235 0.327) 0.443 8.213 ( -1.140 -0.610 -0.007) 1.294 8.261 ( 1.388 0.417 0.485) 1.528 8.281 ( 0.819 -1.354 -1.339) 2.073 8.835 ( -0.579 0.817 0.066) 1.004 8.850 ( -0.796 -0.716 0.262) 1.102 8.905 ( 1.226 1.978 -1.568) 2.806 8.936 ( 1.226 -1.433 -1.351) 2.320 9.153 ( 0.550 0.160 3.322) 3.371 9.161 ( 0.152 -0.652 2.627) 2.711 9.262 ( 0.994 1.139 -1.394) 2.056 9.284 ( 1.184 -1.205 -1.535) 2.282======================= Grid point 50 (25/33) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 18Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.265 ( -1.617 0.000 -3.851) 4.177 0.265 ( 1.617 0.000 3.851) 4.177 0.387 ( 2.520 0.000 -6.366) 6.847 0.387 ( -2.520 0.000 6.366) 6.847 0.614 ( 1.771 0.000 -7.644) 7.846 0.614 ( -1.771 0.000 7.644) 7.846 0.639 ( 0.242 0.000 -0.567) 0.617 0.639 ( -0.242 0.000 0.567) 0.617 0.689 ( -2.567 0.000 0.183) 2.574 0.689 ( 2.567 0.000 -0.183) 2.574 0.788 ( -0.397 0.000 -3.489) 3.512 0.788 ( 0.397 0.000 3.489) 3.512 0.819 ( 2.107 0.000 -2.032) 2.927 0.819 ( -2.107 0.000 2.032) 2.927 0.835 ( -5.019 0.000 -2.226) 5.491 0.835 ( 5.019 0.000 2.226) 5.491 0.888 ( 1.049 0.000 -0.962) 1.423 0.888 ( -1.049 0.000 0.962) 1.423 0.925 ( 0.135 0.000 -2.215) 2.219 0.925 ( -0.135 0.000 2.215) 2.219 0.968 ( 1.124 0.000 -1.003) 1.506 0.968 ( -1.124 0.000 1.003) 1.506 1.001 ( -2.859 0.000 -1.176) 3.092 1.001 ( 2.859 0.000 1.176) 3.092 1.022 ( -1.902 0.000 -2.692) 3.296 1.022 ( 1.902 0.000 2.692) 3.296 1.106 ( -0.752 0.000 -1.085) 1.320 1.106 ( 0.752 0.000 1.085) 1.320 1.117 ( -1.324 0.000 -0.638) 1.469 1.117 ( 1.324 0.000 0.638) 1.469 1.177 ( -1.534 0.000 0.110) 1.538 1.177 ( 1.534 0.000 -0.110) 1.538 1.221 ( 0.458 0.000 -0.632) 0.780 1.221 ( -0.458 0.000 0.632) 0.780 1.288 ( -2.404 0.000 0.455) 2.446 1.288 ( 2.404 0.000 -0.455) 2.446 1.319 ( 1.093 0.000 -0.723) 1.311 1.319 ( -1.093 0.000 0.723) 1.311 1.365 ( 0.257 0.000 -0.782) 0.823 1.365 ( -0.257 0.000 0.782) 0.823 1.415 ( -1.261 0.000 -1.578) 2.020 1.415 ( 1.261 0.000 1.578) 2.020 1.467 ( 0.098 0.000 -0.445) 0.455 1.467 ( -0.098 0.000 0.445) 0.455 1.504 ( 1.893 0.000 -1.890) 2.675 1.504 ( -1.893 0.000 1.890) 2.675 1.549 ( 0.451 0.000 -1.217) 1.298 1.549 ( -0.451 0.000 1.217) 1.298 1.615 ( 1.614 0.000 -0.984) 1.891 1.615 ( -1.614 0.000 0.984) 1.891 1.754 ( -1.579 0.000 -0.553) 1.672 1.754 ( 1.579 0.000 0.553) 1.672 1.869 ( 1.576 0.000 -0.603) 1.687 1.869 ( -1.576 0.000 0.603) 1.687 1.898 ( -0.590 0.000 -0.039) 0.591 1.898 ( 0.590 0.000 0.039) 0.591 1.952 ( -1.324 0.000 -1.090) 1.715 1.952 ( 1.324 0.000 1.090) 1.715 2.029 ( -2.118 0.000 -0.004) 2.118 2.029 ( 2.118 0.000 0.004) 2.118 2.081 ( -0.774 0.000 0.124) 0.784 2.081 ( 0.774 0.000 -0.124) 0.784 2.189 ( -1.220 0.000 -1.658) 2.059 2.189 ( 1.220 0.000 1.658) 2.059 2.276 ( 0.817 0.000 -0.810) 1.151 2.276 ( -0.817 0.000 0.810) 1.151 2.514 ( -0.674 0.000 -0.129) 0.686 2.514 ( 0.674 0.000 0.129) 0.686 2.583 ( -0.313 0.000 -0.546) 0.629 2.583 ( 0.313 0.000 0.546) 0.629 2.589 ( 1.087 0.000 -0.631) 1.257 2.589 ( -1.087 0.000 0.631) 1.257 2.625 ( 1.240 0.000 -0.783) 1.467 2.625 ( -1.240 0.000 0.783) 1.467 2.631 ( -1.964 0.000 -0.173) 1.972 2.631 ( 1.964 0.000 0.173) 1.972 2.695 ( 0.342 0.000 -0.908) 0.970 2.695 ( -0.342 0.000 0.908) 0.970 2.779 ( -0.555 0.000 0.023) 0.555 2.779 ( 0.555 0.000 -0.023) 0.555 2.846 ( -1.283 0.000 -0.437) 1.356 2.846 ( 1.283 0.000 0.437) 1.356 2.933 ( -2.272 0.000 -0.181) 2.279 2.933 ( 2.272 0.000 0.181) 2.279 2.990 ( -0.271 0.000 -0.361) 0.451 2.990 ( 0.271 0.000 0.361) 0.451 3.106 ( 0.819 0.000 -0.727) 1.095 3.106 ( -0.819 0.000 0.727) 1.095 3.189 ( -0.306 0.000 -0.235) 0.386 3.189 ( 0.306 0.000 0.235) 0.386 3.255 ( -1.772 0.000 0.458) 1.830 3.255 ( 1.772 0.000 -0.458) 1.830 5.362 ( -0.311 0.000 -0.513) 0.600 5.362 ( 0.311 0.000 0.513) 0.600 5.430 ( -1.503 0.000 0.330) 1.539 5.430 ( 1.503 0.000 -0.330) 1.539 5.571 ( -0.091 0.000 0.020) 0.093 5.571 ( 0.091 0.000 -0.020) 0.093 5.607 ( -0.668 0.000 0.032) 0.669 5.607 ( 0.668 0.000 -0.032) 0.669 5.708 ( 0.618 0.000 -0.837) 1.041 5.708 ( -0.618 0.000 0.837) 1.041 5.836 ( -0.002 0.000 -0.110) 0.110 5.836 ( 0.002 0.000 0.110) 0.110 5.861 ( 0.121 0.000 -0.242) 0.270 5.861 ( -0.121 0.000 0.242) 0.270 6.247 ( -0.532 0.000 -0.283) 0.603 6.247 ( 0.532 0.000 0.283) 0.603 6.294 ( 1.036 0.000 -1.161) 1.556 6.294 ( -1.036 0.000 1.161) 1.556 6.345 ( 0.992 0.000 -1.057) 1.450 6.345 ( -0.992 0.000 1.057) 1.450 7.019 ( 0.404 0.000 -2.164) 2.201 7.019 ( -0.404 0.000 2.164) 2.201 7.093 ( 0.537 0.000 -0.696) 0.879 7.093 ( -0.537 0.000 0.696) 0.879 8.077 ( 0.282 0.000 -1.544) 1.570 8.077 ( -0.282 0.000 1.544) 1.570 8.155 ( -0.228 0.000 -0.564) 0.608 8.155 ( 0.228 0.000 0.564) 0.608 8.205 ( -0.314 0.000 -0.862) 0.917 8.205 ( 0.314 0.000 0.862) 0.917 8.313 ( 2.311 0.000 -1.056) 2.541 8.313 ( -2.311 0.000 1.056) 2.541 8.811 ( 0.684 0.000 -0.577) 0.895 8.811 ( -0.684 0.000 0.577) 0.895 8.935 ( -1.003 0.000 -2.298) 2.508 8.935 ( 1.003 0.000 2.298) 2.508 9.217 ( 0.651 0.000 -1.832) 1.945 9.217 ( -0.651 0.000 1.832) 1.945 9.299 ( -0.681 0.000 -1.340) 1.503 9.299 ( 0.681 0.000 1.340) 1.503======================= Grid point 52 (26/33) =======================q-point: ( 0.20 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 33Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.324 ( 5.910 0.000 -7.034) 9.187 0.360 ( 4.698 0.000 5.714) 7.397 0.390 ( 2.233 0.000 7.243) 7.579 0.434 ( 2.490 0.000 -6.661) 7.111 0.606 ( 0.257 0.000 1.454) 1.477 0.628 ( 2.424 0.000 -5.034) 5.587 0.649 ( -0.296 0.000 -0.194) 0.354 0.682 ( 2.285 0.000 -0.033) 2.285 0.689 ( 2.214 0.000 5.719) 6.132 0.695 ( -4.234 0.000 -0.360) 4.250 0.721 ( 0.530 0.000 -1.738) 1.817 0.723 ( -5.384 0.000 -3.411) 6.374 0.742 ( -1.679 0.000 3.639) 4.008 0.825 ( 1.197 0.000 -0.939) 1.521 0.860 ( -0.006 0.000 -1.490) 1.490 0.878 ( -1.593 0.000 -2.237) 2.746 0.884 ( -0.258 0.000 2.007) 2.023 0.912 ( -0.165 0.000 0.815) 0.832 0.914 ( -0.953 0.000 -2.073) 2.282 0.917 ( -2.773 0.000 -1.657) 3.231 0.931 ( -3.106 0.000 -1.466) 3.435 0.984 ( 1.319 0.000 1.865) 2.284 0.987 ( 3.774 0.000 2.510) 4.532 0.992 ( 1.228 0.000 -1.334) 1.813 1.046 ( 0.453 0.000 2.272) 2.317 1.052 ( 1.522 0.000 -1.191) 1.932 1.084 ( -2.311 0.000 3.107) 3.873 1.097 ( 1.041 0.000 -0.104) 1.046 1.121 ( 1.495 0.000 -1.969) 2.472 1.141 ( -1.158 0.000 0.225) 1.179 1.169 ( -1.734 0.000 1.388) 2.221 1.176 ( 2.982 0.000 0.613) 3.044 1.211 ( -1.998 0.000 -1.658) 2.596 1.254 ( 2.375 0.000 -1.000) 2.577 1.270 ( 1.082 0.000 1.776) 2.080 1.278 ( -1.840 0.000 0.271) 1.859 1.319 ( -2.870 0.000 -1.018) 3.046 1.336 ( 1.813 0.000 -0.391) 1.854 1.349 ( 0.721 0.000 -0.578) 0.924 1.393 ( 2.067 0.000 0.028) 2.068 1.406 ( 0.532 0.000 -0.481) 0.717 1.414 ( -3.741 0.000 2.109) 4.294 1.434 ( -1.100 0.000 0.332) 1.150 1.467 ( -0.198 0.000 0.839) 0.862 1.487 ( 0.029 0.000 -0.137) 0.140 1.518 ( 0.149 0.000 -0.465) 0.488 1.554 ( -0.312 0.000 -0.235) 0.391 1.555 ( 0.342 0.000 0.490) 0.597 1.602 ( 0.982 0.000 -0.093) 0.987 1.636 ( 0.551 0.000 -1.083) 1.215 1.724 ( 0.104 0.000 0.008) 0.104 1.767 ( -0.198 0.000 0.249) 0.318 1.834 ( -1.271 0.000 0.150) 1.280 1.872 ( -1.071 0.000 -0.908) 1.404 1.879 ( -1.275 0.000 1.275) 1.803 1.898 ( 0.025 0.000 0.055) 0.060 1.942 ( -0.067 0.000 -0.511) 0.516 1.989 ( -0.445 0.000 1.028) 1.120 2.016 ( 1.606 0.000 1.301) 2.067 2.047 ( -1.682 0.000 0.498) 1.754 2.084 ( 1.850 0.000 -0.011) 1.850 2.091 ( 0.004 0.000 -1.339) 1.339 2.167 ( 0.226 0.000 -0.782) 0.814 2.212 ( 0.673 0.000 1.374) 1.530 2.259 ( -1.112 0.000 0.636) 1.281 2.272 ( -1.317 0.000 -0.465) 1.397 2.496 ( -0.339 0.000 -0.710) 0.787 2.518 ( 0.089 0.000 -0.250) 0.266 2.567 ( -0.396 0.000 0.188) 0.438 2.572 ( -0.870 0.000 -0.093) 0.875 2.590 ( -1.478 0.000 0.408) 1.533 2.594 ( -1.397 0.000 -0.356) 1.442 2.611 ( 1.983 0.000 1.227) 2.332 2.623 ( 0.804 0.000 2.271) 2.409 2.633 ( -0.463 0.000 -0.040) 0.465 2.665 ( 1.493 0.000 -2.007) 2.501 2.717 ( 1.526 0.000 -0.368) 1.570 2.725 ( 2.248 0.000 0.390) 2.281 2.770 ( -1.358 0.000 0.283) 1.387 2.794 ( 0.261 0.000 -0.251) 0.362 2.825 ( -0.716 0.000 -0.572) 0.917 2.874 ( 0.886 0.000 -1.090) 1.404 2.888 ( -1.306 0.000 -0.264) 1.332 2.954 ( -0.384 0.000 0.964) 1.038 2.988 ( 0.089 0.000 -0.649) 0.655 3.006 ( 1.501 0.000 1.745) 2.302 3.083 ( -0.691 0.000 0.204) 0.721 3.089 ( -2.162 0.000 -0.336) 2.188 3.192 ( 0.574 0.000 -0.588) 0.821 3.195 ( 0.061 0.000 0.487) 0.490 3.239 ( 0.271 0.000 -0.170) 0.320 3.271 ( -0.414 0.000 0.041) 0.416 5.390 ( 2.303 0.000 -1.051) 2.532 5.411 ( 2.080 0.000 1.151) 2.377 5.428 ( 1.811 0.000 1.124) 2.131 5.465 ( 1.573 0.000 -0.575) 1.674 5.581 ( 0.543 0.000 -0.023) 0.543 5.582 ( 0.682 0.000 0.001) 0.682 5.627 ( 2.597 0.000 1.571) 3.035 5.650 ( 3.073 0.000 -0.495) 3.113 5.696 ( -0.520 0.000 0.483) 0.709 5.708 ( -0.114 0.000 -1.266) 1.272 5.843 ( 0.273 0.000 -0.388) 0.475 5.858 ( 0.433 0.000 -0.015) 0.433 5.870 ( 2.398 0.000 -0.001) 2.398 5.882 ( 2.143 0.000 -0.032) 2.143 6.237 ( -0.530 0.000 -1.238) 1.347 6.265 ( 0.810 0.000 0.406) 0.906 6.271 ( -1.114 0.000 0.358) 1.170 6.287 ( -0.647 0.000 -0.921) 1.126 6.369 ( 2.552 0.000 -0.768) 2.665 6.373 ( 1.075 0.000 2.762) 2.964 7.004 ( -1.212 0.000 0.445) 1.292 7.007 ( -0.746 0.000 -2.078) 2.208 7.087 ( -0.134 0.000 0.546) 0.562 7.102 ( 0.365 0.000 -0.105) 0.380 8.085 ( 0.593 0.000 1.508) 1.620 8.085 ( 0.954 0.000 -1.451) 1.736 8.158 ( 0.511 0.000 -0.261) 0.574 8.171 ( 0.723 0.000 2.142) 2.261 8.189 ( -0.586 0.000 -0.817) 1.005 8.202 ( -0.632 0.000 0.487) 0.798 8.274 ( -1.873 0.000 1.732) 2.551 8.333 ( -0.725 0.000 -0.603) 0.943 8.809 ( 0.489 0.000 0.402) 0.633 8.827 ( 0.934 0.000 -0.806) 1.234 8.903 ( -0.893 0.000 -2.504) 2.659 8.942 ( -0.825 0.000 1.350) 1.582 9.201 ( -1.318 0.000 1.990) 2.387 9.214 ( -0.434 0.000 -2.142) 2.186 9.255 ( -1.931 0.000 -3.399) 3.909 9.282 ( -2.163 0.000 1.918) 2.891======================= Grid point 53 (27/33) =======================q-point: ( 0.40 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 33Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.386 ( 3.376 0.000 -1.629) 3.748 0.418 ( -0.527 0.000 0.506) 0.731 0.482 ( 5.058 0.000 2.305) 5.558 0.515 ( 5.173 0.000 -1.837) 5.489 0.588 ( -4.933 0.000 0.519) 4.961 0.589 ( -4.802 0.000 -2.681) 5.500 0.611 ( -0.208 0.000 1.858) 1.870 0.664 ( -0.822 0.000 -1.646) 1.840 0.665 ( 2.416 0.000 2.841) 3.729 0.712 ( -0.884 0.000 -2.695) 2.836 0.725 ( 2.147 0.000 -1.447) 2.589 0.735 ( 1.974 0.000 -1.208) 2.314 0.788 ( -1.012 0.000 4.253) 4.372 0.812 ( -3.476 0.000 -2.023) 4.022 0.846 ( 1.033 0.000 1.969) 2.223 0.851 ( 1.079 0.000 -2.563) 2.781 0.878 ( 0.413 0.000 -1.555) 1.609 0.884 ( -0.476 0.000 0.234) 0.530 0.890 ( -0.345 0.000 1.776) 1.809 0.900 ( -1.078 0.000 0.298) 1.118 0.902 ( 1.074 0.000 -1.275) 1.667 0.961 ( -3.978 0.000 1.054) 4.115 1.018 ( 1.347 0.000 1.209) 1.811 1.023 ( 1.602 0.000 0.909) 1.842 1.072 ( 0.974 0.000 0.815) 1.269 1.074 ( 0.544 0.000 0.133) 0.560 1.109 ( -0.220 0.000 -0.312) 0.382 1.114 ( 0.623 0.000 -1.463) 1.590 1.127 ( -0.286 0.000 1.322) 1.353 1.143 ( -0.673 0.000 -1.170) 1.350 1.155 ( 3.347 0.000 0.808) 3.443 1.183 ( 0.728 0.000 -1.434) 1.608 1.225 ( -2.436 0.000 0.872) 2.588 1.239 ( 2.040 0.000 0.972) 2.260 1.246 ( -3.062 0.000 -0.955) 3.207 1.285 ( -0.966 0.000 -0.789) 1.247 1.301 ( 1.448 0.000 1.579) 2.142 1.335 ( -1.637 0.000 -1.047) 1.943 1.370 ( 0.505 0.000 -0.548) 0.746 1.371 ( 0.827 0.000 0.021) 0.827 1.413 ( 0.328 0.000 -0.446) 0.554 1.418 ( -0.031 0.000 -0.403) 0.405 1.433 ( 0.594 0.000 1.715) 1.815 1.452 ( -1.224 0.000 0.167) 1.235 1.495 ( 1.266 0.000 -1.328) 1.835 1.517 ( -0.692 0.000 0.740) 1.013 1.552 ( 0.338 0.000 0.202) 0.394 1.556 ( -0.049 0.000 -0.321) 0.325 1.631 ( 1.093 0.000 0.198) 1.111 1.638 ( 0.184 0.000 -0.544) 0.574 1.754 ( 1.186 0.000 1.208) 1.693 1.761 ( -0.023 0.000 -0.429) 0.429 1.837 ( 0.490 0.000 0.317) 0.583 1.844 ( -1.133 0.000 -0.778) 1.374 1.856 ( 0.055 0.000 1.746) 1.747 1.892 ( -0.875 0.000 -1.071) 1.383 1.945 ( 0.646 0.000 0.338) 0.729 1.975 ( -1.351 0.000 -0.075) 1.353 2.003 ( -1.659 0.000 0.410) 1.709 2.010 ( -1.432 0.000 -0.749) 1.616 2.104 ( 1.267 0.000 -0.070) 1.269 2.112 ( 0.572 0.000 0.341) 0.666 2.194 ( 1.903 0.000 -0.119) 1.907 2.222 ( -0.234 0.000 0.577) 0.623 2.238 ( -1.330 0.000 -0.023) 1.330 2.239 ( -0.752 0.000 -0.124) 0.762 2.499 ( 0.539 0.000 0.356) 0.646 2.513 ( -0.624 0.000 -0.274) 0.682 2.555 ( -0.358 0.000 -0.184) 0.403 2.560 ( -0.790 0.000 0.277) 0.838 2.578 ( 0.693 0.000 0.391) 0.796 2.582 ( 0.270 0.000 -0.438) 0.515 2.623 ( -0.261 0.000 0.062) 0.268 2.624 ( -0.359 0.000 0.194) 0.408 2.664 ( 1.272 0.000 1.881) 2.271 2.679 ( 0.208 0.000 -1.167) 1.186 2.721 ( -1.324 0.000 0.412) 1.387 2.731 ( -0.511 0.000 -0.744) 0.902 2.761 ( 0.485 0.000 0.689) 0.843 2.772 ( -1.253 0.000 0.091) 1.256 2.829 ( 1.140 0.000 -0.373) 1.199 2.859 ( -1.550 0.000 -0.843) 1.764 2.896 ( 1.732 0.000 -0.559) 1.820 2.932 ( -1.778 0.000 0.384) 1.819 2.997 ( 1.204 0.000 0.522) 1.312 3.036 ( -2.123 0.000 -0.104) 2.126 3.056 ( 1.709 0.000 1.214) 2.097 3.081 ( -0.191 0.000 -0.658) 0.685 3.202 ( 0.419 0.000 0.628) 0.755 3.203 ( 0.531 0.000 -0.187) 0.563 3.243 ( 0.147 0.000 -0.815) 0.828 3.252 ( -1.020 0.000 -0.050) 1.021 5.423 ( 1.112 0.000 -0.926) 1.447 5.428 ( 0.217 0.000 0.732) 0.764 5.473 ( 1.220 0.000 1.273) 1.763 5.483 ( 0.406 0.000 -0.737) 0.841 5.590 ( 0.361 0.000 0.003) 0.361 5.591 ( 0.234 0.000 0.084) 0.248 5.682 ( 1.233 0.000 1.087) 1.644 5.687 ( 0.450 0.000 -0.065) 0.455 5.695 ( 0.528 0.000 1.097) 1.218 5.706 ( 0.308 0.000 -1.628) 1.657 5.848 ( 0.384 0.000 -0.229) 0.447 5.855 ( -0.337 0.000 0.073) 0.345 5.924 ( 1.865 0.000 0.048) 1.866 5.925 ( 1.631 0.000 -0.201) 1.643 6.224 ( -0.093 0.000 -0.226) 0.245 6.241 ( -1.605 0.000 0.231) 1.622 6.280 ( 0.360 0.000 -0.392) 0.532 6.281 ( -0.012 0.000 0.221) 0.221 6.397 ( -0.098 0.000 7.035) 7.036 6.403 ( 1.565 0.000 -6.357) 6.547 6.987 ( -0.368 0.000 -0.075) 0.375 6.989 ( -0.442 0.000 -0.868) 0.974 7.093 ( 0.537 0.000 0.084) 0.544 7.103 ( -0.319 0.000 0.191) 0.372 8.102 ( 0.899 0.000 -1.344) 1.617 8.103 ( 0.490 0.000 1.446) 1.527 8.161 ( -0.162 0.000 -0.387) 0.419 8.165 ( -0.664 0.000 -0.217) 0.699 8.202 ( 0.893 0.000 -0.681) 1.123 8.208 ( 0.589 0.000 4.134) 4.176 8.251 ( -0.150 0.000 -0.239) 0.283 8.288 ( -2.684 0.000 -1.849) 3.259 8.828 ( 0.834 0.000 0.899) 1.226 8.837 ( 0.234 0.000 -0.951) 0.979 8.898 ( 0.790 0.000 -1.236) 1.467 8.919 ( -1.475 0.000 0.801) 1.679 9.185 ( -0.759 0.000 2.658) 2.764 9.192 ( -0.536 0.000 -3.199) 3.243 9.232 ( 0.383 0.000 -2.891) 2.917 9.247 ( -1.799 0.000 2.617) 3.176======================= Grid point 56 (28/33) =======================q-point: ( 0.00 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 28Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.293 ( -1.634 2.402 -5.912) 6.587 0.293 ( 1.634 2.402 5.912) 6.587 0.425 ( 1.231 3.688 -6.401) 7.489 0.425 ( -1.231 3.688 6.401) 7.489 0.592 ( -2.251 -5.397 -2.253) 6.267 0.592 ( 2.251 -5.397 2.253) 6.267 0.626 ( -1.591 -0.427 -2.184) 2.735 0.626 ( 1.591 -0.427 2.184) 2.735 0.661 ( 0.043 -0.073 -6.534) 6.534 0.661 ( -0.043 -0.073 6.534) 6.534 0.758 ( -2.633 -2.226 0.454) 3.478 0.758 ( 2.633 -2.226 -0.454) 3.478 0.789 ( 0.646 -1.676 -0.978) 2.045 0.789 ( -0.646 -1.676 0.978) 2.045 0.855 ( 0.048 1.147 -2.172) 2.457 0.855 ( -0.048 1.147 2.172) 2.457 0.900 ( -0.408 0.403 -0.445) 0.726 0.900 ( 0.408 0.403 0.445) 0.726 0.936 ( -0.253 1.173 -0.501) 1.301 0.936 ( 0.253 1.173 0.501) 1.301 0.970 ( -0.648 0.507 -1.457) 1.673 0.970 ( 0.648 0.507 1.457) 1.673 1.018 ( 0.659 0.454 -1.589) 1.780 1.018 ( -0.659 0.454 1.589) 1.780 1.032 ( -1.016 1.006 -0.337) 1.469 1.032 ( 1.016 1.006 0.337) 1.469 1.098 ( 1.648 -1.495 -1.290) 2.572 1.098 ( -1.648 -1.495 1.290) 2.572 1.122 ( -0.516 1.722 -1.598) 2.405 1.122 ( 0.516 1.722 1.598) 2.405 1.187 ( -1.226 0.982 -0.577) 1.673 1.187 ( 1.226 0.982 0.577) 1.673 1.225 ( 0.750 0.351 -0.888) 1.214 1.225 ( -0.750 0.351 0.888) 1.214 1.281 ( 2.090 -0.638 -1.260) 2.522 1.281 ( -2.090 -0.638 1.260) 2.522 1.325 ( -1.627 0.351 0.139) 1.670 1.325 ( 1.627 0.351 -0.139) 1.670 1.349 ( 0.716 -1.357 -1.164) 1.926 1.349 ( -0.716 -1.357 1.164) 1.926 1.408 ( -0.105 -0.788 -1.539) 1.732 1.408 ( 0.105 -0.788 1.539) 1.732 1.470 ( -0.232 -0.093 -0.572) 0.624 1.470 ( 0.232 -0.093 0.572) 0.624 1.502 ( 0.513 0.237 -0.629) 0.846 1.502 ( -0.513 0.237 0.629) 0.846 1.553 ( -0.081 0.362 -1.059) 1.122 1.553 ( 0.081 0.362 1.059) 1.122 1.613 ( 0.369 -0.059 -0.414) 0.558 1.613 ( -0.369 -0.059 0.414) 0.558 1.728 ( -1.548 -2.397 -0.776) 2.957 1.728 ( 1.548 -2.397 0.776) 2.957 1.870 ( -0.242 0.013 -0.346) 0.422 1.870 ( 0.242 0.013 0.346) 0.422 1.899 ( -0.129 0.016 -0.100) 0.164 1.899 ( 0.129 0.016 0.100) 0.164 1.956 ( -1.701 0.510 -1.147) 2.114 1.956 ( 1.701 0.510 1.147) 2.114 2.015 ( -1.443 -1.250 -0.384) 1.947 2.015 ( 1.443 -1.250 0.384) 1.947 2.091 ( -0.710 0.743 -0.072) 1.031 2.091 ( 0.710 0.743 0.072) 1.031 2.193 ( -1.114 0.400 -1.574) 1.969 2.193 ( 1.114 0.400 1.574) 1.969 2.269 ( 0.344 -0.666 -1.089) 1.323 2.269 ( -0.344 -0.666 1.089) 1.323 2.499 ( -0.649 -0.936 -0.883) 1.441 2.499 ( 0.649 -0.936 0.883) 1.441 2.583 ( 0.699 -0.203 -1.238) 1.436 2.583 ( -0.699 -0.203 1.238) 1.436 2.593 ( -0.847 0.227 -0.348) 0.943 2.593 ( 0.847 0.227 0.348) 0.943 2.615 ( -0.250 -0.597 -0.556) 0.853 2.615 ( 0.250 -0.597 0.556) 0.853 2.647 ( -0.614 1.216 -0.571) 1.477 2.647 ( 0.614 1.216 0.571) 1.477 2.696 ( 0.111 0.007 -1.189) 1.194 2.696 ( -0.111 0.007 1.189) 1.194 2.789 ( -0.471 0.925 -0.218) 1.061 2.789 ( 0.471 0.925 0.218) 1.061 2.848 ( -1.217 0.177 -0.365) 1.283 2.848 ( 1.217 0.177 0.365) 1.283 2.937 ( -1.499 0.392 -0.653) 1.682 2.937 ( 1.499 0.392 0.653) 1.682 2.989 ( -0.142 -0.081 -0.557) 0.581 2.989 ( 0.142 -0.081 0.557) 0.581 3.093 ( -0.201 -1.187 -0.298) 1.240 3.093 ( 0.201 -1.187 0.298) 1.240 3.192 ( -0.226 0.279 -0.338) 0.494 3.192 ( 0.226 0.279 0.338) 0.494 3.256 ( -0.776 0.090 0.183) 0.802 3.256 ( 0.776 0.090 -0.183) 0.802 5.362 ( -0.248 0.021 -0.422) 0.490 5.362 ( 0.248 0.021 0.422) 0.490 5.430 ( -1.157 0.000 0.235) 1.181 5.430 ( 1.157 0.000 -0.235) 1.181 5.578 ( -0.673 0.585 -0.089) 0.897 5.578 ( 0.673 0.585 0.089) 0.897 5.605 ( -0.773 -0.205 -0.008) 0.800 5.605 ( 0.773 -0.205 0.008) 0.800 5.706 ( 0.443 -0.123 -0.645) 0.793 5.706 ( -0.443 -0.123 0.645) 0.793 5.838 ( 0.193 0.121 -0.269) 0.353 5.838 ( -0.193 0.121 0.269) 0.353 5.860 ( 0.154 -0.047 -0.288) 0.330 5.860 ( -0.154 -0.047 0.288) 0.330 6.249 ( -0.393 0.230 -0.659) 0.801 6.249 ( 0.393 0.230 0.659) 0.801 6.288 ( -0.487 -0.534 -1.471) 1.639 6.288 ( 0.487 -0.534 1.471) 1.639 6.351 ( 0.421 0.493 -0.910) 1.117 6.351 ( -0.421 0.493 0.910) 1.117 7.017 ( 0.260 -0.196 -1.683) 1.715 7.017 ( -0.260 -0.196 1.683) 1.715 7.090 ( 0.502 -0.310 -0.788) 0.985 7.090 ( -0.502 -0.310 0.788) 0.985 8.092 ( 0.162 1.470 -0.931) 1.747 8.092 ( -0.162 1.470 0.931) 1.747 8.161 ( -0.092 0.588 -0.707) 0.925 8.161 ( 0.092 0.588 0.707) 0.925 8.200 ( -0.292 -0.611 -0.746) 1.008 8.200 ( 0.292 -0.611 0.746) 1.008 8.303 ( 1.811 -0.914 -1.120) 2.317 8.303 ( -1.811 -0.914 1.120) 2.317 8.823 ( -0.324 1.127 -0.260) 1.201 8.823 ( 0.324 1.127 0.260) 1.201 8.927 ( -0.842 -0.784 -2.070) 2.368 8.927 ( 0.842 -0.784 2.070) 2.368 9.215 ( 0.545 -0.233 -1.818) 1.912 9.215 ( -0.545 -0.233 1.818) 1.912 9.282 ( -0.375 -1.382 -1.991) 2.452 9.282 ( 0.375 -1.382 1.991) 2.452======================= Grid point 58 (29/33) =======================q-point: ( 0.20 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 51Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.294 ( 2.405 -1.109 -3.609) 4.477 0.366 ( 3.262 0.436 -0.461) 3.323 0.398 ( 0.836 0.605 3.502) 3.651 0.471 ( 0.856 1.016 -1.476) 1.986 0.580 ( 2.701 -2.157 1.288) 3.689 0.588 ( -0.570 -2.607 -1.947) 3.303 0.650 ( 0.658 -1.396 -2.946) 3.326 0.668 ( 1.497 -2.343 0.575) 2.839 0.684 ( -1.193 -0.562 1.701) 2.152 0.698 ( 0.663 0.693 -1.315) 1.627 0.718 ( -0.444 2.683 0.069) 2.720 0.728 ( 2.785 0.330 3.239) 4.285 0.755 ( -2.185 0.657 0.819) 2.425 0.817 ( -0.573 -2.191 -0.821) 2.409 0.839 ( -0.494 -1.158 -0.924) 1.562 0.867 ( -0.192 -0.475 1.694) 1.770 0.880 ( -1.124 -0.019 -1.215) 1.655 0.899 ( -0.234 0.268 -2.139) 2.168 0.912 ( -1.949 0.110 -0.921) 2.158 0.923 ( -1.312 0.853 -0.257) 1.586 0.940 ( -0.993 0.073 -1.758) 2.021 0.986 ( -0.361 -0.604 1.867) 1.995 0.996 ( -1.011 0.233 -1.680) 1.975 1.021 ( 0.018 1.315 0.193) 1.329 1.040 ( 1.330 -0.348 1.077) 1.747 1.060 ( 0.727 0.228 -0.494) 0.908 1.065 ( 0.234 -0.513 3.165) 3.215 1.101 ( -0.682 0.095 -0.201) 0.717 1.140 ( 1.504 2.088 -0.494) 2.620 1.153 ( 1.721 0.741 -0.852) 2.058 1.178 ( 0.562 1.088 0.893) 1.516 1.185 ( -0.456 1.138 1.419) 1.875 1.205 ( -2.196 -0.303 -0.660) 2.313 1.255 ( 2.111 -0.011 0.164) 2.117 1.274 ( 1.346 0.661 0.730) 1.668 1.281 ( -2.035 -0.174 -0.150) 2.048 1.312 ( -2.714 -0.975 -0.649) 2.955 1.327 ( 1.906 -0.937 0.089) 2.126 1.348 ( 0.606 -0.166 -0.293) 0.693 1.381 ( 1.678 -1.058 -0.502) 2.047 1.401 ( 0.717 -0.419 1.376) 1.607 1.408 ( -1.460 0.358 -0.666) 1.644 1.439 ( -0.856 -0.002 0.531) 1.008 1.473 ( -1.160 -0.110 0.888) 1.465 1.493 ( 0.538 0.891 -0.617) 1.210 1.522 ( 0.270 0.694 -0.193) 0.770 1.547 ( -0.440 -0.745 -0.267) 0.905 1.563 ( 0.513 0.771 0.270) 0.965 1.601 ( 1.209 0.117 0.049) 1.215 1.639 ( 0.719 0.332 -0.761) 1.099 1.704 ( 0.374 -2.022 -0.156) 2.062 1.744 ( -0.089 -2.262 0.356) 2.292 1.840 ( -0.938 0.694 0.176) 1.180 1.876 ( -0.986 0.321 -0.433) 1.124 1.882 ( -1.373 0.253 0.689) 1.557 1.893 ( -0.016 -0.464 0.068) 0.469 1.942 ( -0.069 -0.033 -0.638) 0.643 1.983 ( -0.727 -0.714 0.903) 1.362 2.019 ( 2.027 0.413 1.483) 2.546 2.050 ( -1.162 0.225 0.329) 1.228 2.070 ( 1.059 -1.222 -0.210) 1.631 2.088 ( -0.879 -0.411 -0.852) 1.292 2.176 ( 0.407 0.891 -0.545) 1.121 2.215 ( 0.644 0.320 1.362) 1.540 2.255 ( -0.928 -0.521 0.210) 1.085 2.265 ( -1.036 -0.608 -0.314) 1.242 2.494 ( 0.109 -0.137 -0.574) 0.600 2.512 ( 0.023 -0.067 0.006) 0.071 2.554 ( -1.025 -0.983 -0.301) 1.452 2.577 ( -1.436 -0.547 0.055) 1.537 2.585 ( 0.937 -0.256 1.435) 1.733 2.592 ( 0.210 -0.808 0.554) 1.002 2.608 ( 0.401 0.472 -0.040) 0.620 2.630 ( -0.269 1.424 0.330) 1.486 2.652 ( -0.070 0.311 0.115) 0.339 2.665 ( 1.532 1.018 -0.679) 1.961 2.713 ( 1.068 -0.509 -0.675) 1.362 2.733 ( 1.942 0.404 0.529) 2.052 2.775 ( -1.204 0.579 0.420) 1.400 2.796 ( -0.278 0.158 -0.307) 0.443 2.830 ( -0.310 0.596 -0.491) 0.832 2.872 ( 0.811 -0.210 -0.842) 1.188 2.897 ( -1.332 0.934 -0.459) 1.690 2.951 ( -0.605 -0.342 0.613) 0.927 2.988 ( 0.083 0.045 -0.400) 0.412 3.002 ( 1.168 -0.433 1.708) 2.114 3.077 ( -0.221 -0.551 -0.192) 0.624 3.083 ( -1.656 -0.573 -0.163) 1.760 3.190 ( 0.314 0.094 -0.344) 0.475 3.202 ( 0.265 0.482 -0.124) 0.564 3.237 ( -0.103 -0.100 0.041) 0.149 3.267 ( -0.403 -0.376 -0.089) 0.559 5.390 ( 2.327 0.060 -0.719) 2.437 5.409 ( 2.835 -0.287 1.125) 3.063 5.429 ( 1.092 0.256 0.554) 1.251 5.462 ( 1.529 -0.352 -0.488) 1.643 5.578 ( 0.608 0.171 0.069) 0.636 5.594 ( 0.571 0.720 0.031) 0.919 5.620 ( 2.169 -0.583 0.914) 2.425 5.649 ( 3.088 -0.309 -0.231) 3.112 5.696 ( -0.527 -0.012 0.375) 0.647 5.704 ( -0.295 -0.372 -0.915) 1.031 5.845 ( 0.298 0.201 -0.196) 0.409 5.857 ( 0.376 -0.136 0.078) 0.408 5.870 ( 2.297 0.045 -0.031) 2.298 5.880 ( 2.088 -0.164 -0.118) 2.098 6.239 ( -0.536 0.175 -1.168) 1.297 6.264 ( -0.707 -0.634 -0.556) 1.100 6.267 ( 0.879 0.252 0.215) 0.939 6.291 ( -0.687 0.212 -0.322) 0.788 6.361 ( 1.542 -0.615 0.112) 1.664 6.369 ( 0.416 -0.454 1.811) 1.913 7.001 ( -0.947 -0.085 -0.456) 1.054 7.009 ( -0.715 0.066 -0.956) 1.196 7.086 ( 0.051 -0.036 0.659) 0.662 7.100 ( 0.497 -0.245 -0.215) 0.595 8.096 ( 0.488 1.168 0.083) 1.268 8.100 ( 0.606 1.312 -0.099) 1.449 8.161 ( 0.155 0.285 0.194) 0.377 8.176 ( 0.582 0.476 2.091) 2.222 8.185 ( -0.492 -0.432 -0.696) 0.956 8.199 ( -0.319 -0.335 0.501) 0.682 8.271 ( -1.586 -0.237 1.092) 1.940 8.318 ( -0.529 -1.437 -1.200) 1.946 8.819 ( 0.378 1.016 -0.012) 1.084 8.838 ( 0.742 1.019 0.009) 1.261 8.900 ( -0.763 -0.300 -2.203) 2.351 8.933 ( -0.706 -0.878 1.232) 1.669 9.199 ( -1.235 -0.183 1.575) 2.010 9.210 ( -0.559 -0.419 -1.934) 2.056 9.250 ( -1.386 -0.379 -2.812) 3.157 9.271 ( -1.742 -1.028 1.947) 2.807======================= Grid point 59 (30/33) =======================q-point: ( 0.40 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 51Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.333 ( 2.907 -3.590 0.296) 4.629 0.383 ( -1.202 -2.918 -1.234) 3.389 0.486 ( 4.814 -1.081 0.826) 5.003 0.519 ( 4.544 -0.858 -1.486) 4.857 0.559 ( -1.285 -1.296 -1.057) 2.109 0.585 ( -3.609 -0.595 -1.248) 3.865 0.622 ( -3.107 0.370 1.247) 3.369 0.658 ( 2.021 0.530 2.151) 2.998 0.672 ( -2.023 -0.258 -1.269) 2.402 0.699 ( 2.945 -1.000 0.162) 3.114 0.722 ( -1.383 -0.305 -0.411) 1.475 0.752 ( -1.286 0.406 -0.559) 1.460 0.778 ( 0.819 -0.732 0.869) 1.401 0.807 ( -1.895 -1.215 -0.488) 2.303 0.826 ( -0.677 0.896 2.058) 2.345 0.854 ( -2.213 -1.096 -0.362) 2.496 0.875 ( 3.661 0.555 1.198) 3.892 0.885 ( -0.031 0.098 -1.506) 1.510 0.894 ( 0.315 0.046 -2.671) 2.690 0.914 ( 0.098 1.602 0.865) 1.824 0.921 ( -0.214 1.261 -1.859) 2.256 0.946 ( -2.162 -0.740 1.055) 2.517 1.000 ( 1.473 -1.448 0.553) 2.138 1.030 ( 0.290 0.038 0.112) 0.313 1.057 ( 0.931 -1.767 0.392) 2.036 1.073 ( 0.450 0.007 0.189) 0.488 1.093 ( 0.379 0.150 0.585) 0.713 1.131 ( -1.638 1.339 0.777) 2.254 1.140 ( 2.627 -0.453 0.413) 2.697 1.165 ( -1.154 1.142 0.263) 1.645 1.172 ( 1.123 1.718 -0.971) 2.271 1.178 ( 0.759 0.415 -0.549) 1.024 1.210 ( -0.847 -0.431 1.259) 1.577 1.237 ( -2.741 -0.567 -1.445) 3.149 1.264 ( 0.904 1.328 1.238) 2.029 1.288 ( 0.195 -0.175 0.214) 0.339 1.309 ( 1.031 1.185 -0.438) 1.631 1.336 ( -1.566 0.180 -0.888) 1.809 1.357 ( 1.554 -1.073 0.136) 1.893 1.385 ( -0.496 0.848 -0.463) 1.086 1.408 ( 1.575 0.054 -0.758) 1.749 1.429 ( 0.981 -0.042 0.523) 1.112 1.431 ( -0.779 0.467 0.972) 1.330 1.447 ( -1.225 -0.535 0.116) 1.342 1.499 ( 0.608 0.187 -0.809) 1.030 1.513 ( -0.864 -0.158 0.274) 0.920 1.557 ( 1.241 0.824 0.087) 1.492 1.572 ( 0.231 1.349 -0.363) 1.416 1.633 ( 1.165 0.323 0.325) 1.252 1.642 ( 0.048 0.451 -0.419) 0.618 1.734 ( 1.184 -2.008 0.909) 2.502 1.741 ( 0.014 -1.992 -0.043) 1.992 1.842 ( -0.039 0.531 0.045) 0.535 1.848 ( -1.260 0.391 -0.322) 1.358 1.859 ( 0.405 0.324 1.489) 1.577 1.889 ( -0.641 -0.303 -0.742) 1.026 1.944 ( 0.658 -0.080 -0.127) 0.675 1.973 ( -0.961 -0.285 0.263) 1.036 1.997 ( -2.115 -0.478 -0.161) 2.174 2.008 ( -1.795 -0.347 -0.559) 1.912 2.098 ( 1.214 -0.632 0.159) 1.378 2.103 ( 0.881 -0.806 0.286) 1.228 2.199 ( 1.463 0.451 0.171) 1.541 2.227 ( -0.372 0.393 0.162) 0.565 2.234 ( -0.751 -0.423 0.153) 0.876 2.241 ( -0.702 0.102 -0.075) 0.713 2.497 ( 0.198 -0.279 0.074) 0.350 2.504 ( -0.582 -0.231 -0.026) 0.627 2.557 ( 1.126 -0.875 0.351) 1.469 2.566 ( 0.230 0.708 -0.365) 0.829 2.582 ( -0.279 0.428 0.279) 0.582 2.602 ( -1.265 1.133 0.102) 1.701 2.615 ( 0.707 0.329 -0.012) 0.780 2.630 ( -0.252 0.585 0.806) 1.027 2.659 ( 1.065 -0.419 -0.359) 1.199 2.678 ( -0.460 -0.008 0.103) 0.471 2.718 ( -0.121 -0.357 -0.424) 0.567 2.732 ( -0.767 0.002 0.118) 0.776 2.768 ( -0.027 0.659 0.506) 0.831 2.776 ( -1.019 0.380 0.166) 1.100 2.835 ( 1.071 0.689 -0.384) 1.330 2.864 ( -1.390 0.388 -0.687) 1.598 2.894 ( 1.279 -0.167 -0.588) 1.417 2.926 ( -1.777 -0.640 0.289) 1.911 2.999 ( 1.261 0.282 0.737) 1.488 3.035 ( -1.095 -0.208 0.212) 1.135 3.051 ( 0.976 -0.401 0.786) 1.315 3.077 ( -0.345 -0.493 -0.746) 0.959 3.199 ( 0.499 -0.125 -0.068) 0.519 3.205 ( -0.017 0.040 0.076) 0.088 3.240 ( 0.353 -0.179 -0.551) 0.679 3.252 ( -0.845 -0.147 0.014) 0.858 5.426 ( 1.174 0.310 -0.449) 1.295 5.433 ( 0.220 0.471 0.329) 0.615 5.469 ( 1.315 -0.459 1.096) 1.772 5.480 ( 0.368 -0.396 -0.692) 0.879 5.593 ( 0.686 0.447 0.191) 0.841 5.601 ( 0.017 0.775 -0.019) 0.775 5.668 ( 1.620 -1.127 0.734) 2.105 5.687 ( -0.455 -0.663 -0.002) 0.804 5.693 ( 0.983 0.056 0.551) 1.129 5.701 ( 0.319 -0.356 -0.996) 1.105 5.849 ( 0.295 0.133 -0.201) 0.381 5.855 ( -0.271 -0.019 0.072) 0.281 5.922 ( 1.865 -0.158 0.013) 1.872 5.924 ( 1.648 -0.160 -0.121) 1.661 6.227 ( 0.002 0.357 -0.264) 0.444 6.243 ( -1.327 0.159 -0.006) 1.336 6.280 ( 0.375 0.116 0.004) 0.393 6.285 ( -0.038 0.296 0.052) 0.303 6.377 ( -0.336 -1.905 5.539) 5.867 6.383 ( 0.963 -1.938 -5.179) 5.613 6.988 ( -0.189 0.192 -0.084) 0.282 6.993 ( -0.510 0.255 -0.715) 0.914 7.094 ( 0.536 0.137 0.237) 0.602 7.103 ( -0.201 -0.023 0.042) 0.207 8.109 ( 0.680 0.780 -0.328) 1.085 8.112 ( 0.380 0.885 0.369) 1.031 8.159 ( -0.230 -0.184 -0.048) 0.298 8.165 ( -0.707 -0.139 -0.277) 0.772 8.203 ( 0.943 0.156 0.351) 1.018 8.210 ( 0.665 0.130 3.170) 3.241 8.249 ( -0.279 -0.144 -0.499) 0.590 8.280 ( -2.264 -0.830 -2.024) 3.148 8.835 ( 0.906 0.760 0.208) 1.200 8.846 ( -0.052 0.832 -0.089) 0.838 8.895 ( 0.706 -0.272 -1.194) 1.414 8.914 ( -1.291 -0.560 0.751) 1.595 9.184 ( -0.639 -0.104 2.043) 2.143 9.189 ( -0.480 -0.210 -2.547) 2.601 9.231 ( 0.177 -0.135 -2.371) 2.382 9.242 ( -1.521 -0.474 2.235) 2.745======================= Grid point 62 (31/33) =======================q-point: ( 0.00 0.40 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 28Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.344 ( -1.837 3.267 -3.341) 5.021 0.344 ( 1.837 3.267 3.341) 5.021 0.464 ( 0.305 -5.321 -0.951) 5.414 0.464 ( -0.305 -5.321 0.951) 5.414 0.509 ( -0.027 3.508 -4.747) 5.903 0.509 ( 0.027 3.508 4.747) 5.903 0.592 ( -2.438 -3.110 -3.910) 5.559 0.592 ( 2.438 -3.110 3.910) 5.559 0.670 ( -0.190 0.029 -1.993) 2.003 0.670 ( 0.190 0.029 1.993) 2.003 0.746 ( 2.329 0.889 -3.633) 4.406 0.746 ( -2.329 0.889 3.633) 4.406 0.766 ( 2.395 -1.060 -1.721) 3.134 0.766 ( -2.395 -1.060 1.721) 3.134 0.880 ( 0.510 0.913 -0.242) 1.074 0.880 ( -0.510 0.913 0.242) 1.074 0.909 ( -0.053 1.437 -0.931) 1.713 0.909 ( 0.053 1.437 0.931) 1.713 0.947 ( -0.203 -0.576 -1.293) 1.430 0.947 ( 0.203 -0.576 1.293) 1.430 0.984 ( 0.160 0.896 -2.412) 2.578 0.984 ( -0.160 0.896 2.412) 2.578 1.012 ( 2.012 -0.675 -3.092) 3.750 1.012 ( -2.012 -0.675 3.092) 3.750 1.044 ( 0.928 0.314 -1.083) 1.461 1.044 ( -0.928 0.314 1.083) 1.461 1.065 ( -0.310 -1.728 -1.172) 2.111 1.065 ( 0.310 -1.728 1.172) 2.111 1.168 ( -0.364 2.401 -0.803) 2.558 1.168 ( 0.364 2.401 0.803) 2.558 1.208 ( -0.900 0.652 -0.192) 1.128 1.208 ( 0.900 0.652 0.192) 1.128 1.225 ( 0.766 -0.025 -1.561) 1.740 1.225 ( -0.766 -0.025 1.561) 1.740 1.266 ( 0.638 -1.107 -1.835) 2.236 1.266 ( -0.638 -1.107 1.835) 2.236 1.325 ( -1.866 -0.156 -0.201) 1.883 1.325 ( 1.866 -0.156 0.201) 1.883 1.330 ( -0.905 -0.565 -0.603) 1.225 1.330 ( 0.905 -0.565 0.603) 1.225 1.395 ( 0.683 -0.393 -0.729) 1.074 1.395 ( -0.683 -0.393 0.729) 1.074 1.462 ( -0.129 -0.407 -0.229) 0.485 1.462 ( 0.129 -0.407 0.229) 0.485 1.515 ( -0.717 0.741 -0.282) 1.069 1.515 ( 0.717 0.741 0.282) 1.069 1.556 ( -0.680 -0.069 -0.723) 0.995 1.556 ( 0.680 -0.069 0.723) 0.995 1.621 ( -1.273 0.944 -0.038) 1.585 1.621 ( 1.273 0.944 0.038) 1.585 1.682 ( -1.126 -2.108 -0.626) 2.470 1.682 ( 1.126 -2.108 0.626) 2.470 1.869 ( -0.270 -0.063 -0.184) 0.332 1.869 ( 0.270 -0.063 0.184) 0.332 1.898 ( 0.003 -0.044 -0.067) 0.080 1.898 ( -0.003 -0.044 0.067) 0.080 1.969 ( -1.844 0.858 -1.005) 2.269 1.969 ( 1.844 0.858 1.005) 2.269 1.991 ( -1.452 -1.152 -0.780) 2.011 1.991 ( 1.452 -1.152 0.780) 2.011 2.101 ( -0.340 0.258 -0.029) 0.427 2.101 ( 0.340 0.258 0.029) 0.427 2.200 ( -0.564 0.270 -0.797) 1.013 2.200 ( 0.564 0.270 0.797) 1.013 2.258 ( -0.049 -0.366 -0.688) 0.781 2.258 ( 0.049 -0.366 0.688) 0.781 2.490 ( -0.219 -0.147 -0.358) 0.445 2.490 ( 0.219 -0.147 0.358) 0.445 2.579 ( 0.655 -0.113 -0.669) 0.943 2.579 ( -0.655 -0.113 0.669) 0.943 2.593 ( -0.890 -0.252 -0.600) 1.103 2.593 ( 0.890 -0.252 0.600) 1.103 2.607 ( -1.011 -0.178 -0.026) 1.027 2.607 ( 1.011 -0.178 0.026) 1.027 2.669 ( -0.477 0.986 -0.625) 1.261 2.669 ( 0.477 0.986 0.625) 1.261 2.692 ( -0.304 -0.467 -0.915) 1.071 2.692 ( 0.304 -0.467 0.915) 1.071 2.805 ( -0.240 0.551 -0.179) 0.627 2.805 ( 0.240 0.551 0.179) 0.627 2.851 ( -0.560 0.141 -0.144) 0.595 2.851 ( 0.560 0.141 0.144) 0.595 2.942 ( -0.426 0.122 -0.561) 0.714 2.942 ( 0.426 0.122 0.561) 0.714 2.989 ( 0.071 0.071 -0.417) 0.429 2.989 ( -0.071 0.071 0.417) 0.429 3.073 ( -0.284 -0.700 -0.211) 0.784 3.073 ( 0.284 -0.700 0.211) 0.784 3.197 ( -0.117 0.187 -0.164) 0.275 3.197 ( 0.117 0.187 0.164) 0.275 3.258 ( 0.052 0.040 -0.094) 0.115 3.258 ( -0.052 0.040 0.094) 0.115 5.362 ( -0.094 0.013 -0.165) 0.190 5.362 ( 0.094 0.013 0.165) 0.190 5.430 ( -0.413 0.001 0.074) 0.420 5.430 ( 0.413 0.001 -0.074) 0.420 5.589 ( -0.765 0.514 -0.085) 0.926 5.589 ( 0.765 0.514 0.085) 0.926 5.600 ( -0.807 -0.334 -0.025) 0.873 5.600 ( 0.807 -0.334 0.025) 0.873 5.704 ( 0.140 -0.067 -0.230) 0.278 5.704 ( -0.140 -0.067 0.230) 0.278 5.839 ( 0.125 0.066 -0.166) 0.218 5.839 ( -0.125 0.066 0.166) 0.218 5.860 ( 0.084 -0.011 -0.160) 0.181 5.860 ( -0.084 -0.011 0.160) 0.181 6.254 ( -0.323 0.185 -0.612) 0.716 6.254 ( 0.323 0.185 0.612) 0.716 6.279 ( -0.544 -0.335 -0.939) 1.136 6.279 ( 0.544 -0.335 0.939) 1.136 6.358 ( 0.106 0.225 -0.355) 0.434 6.358 ( -0.106 0.225 0.355) 0.434 7.014 ( 0.063 -0.100 -0.606) 0.618 7.014 ( -0.063 -0.100 0.606) 0.618 7.085 ( 0.219 -0.142 -0.393) 0.472 7.085 ( -0.219 -0.142 0.393) 0.472 8.119 ( 0.104 1.083 -0.294) 1.127 8.119 ( -0.104 1.083 0.294) 1.127 8.172 ( 0.054 0.559 -1.014) 1.159 8.172 ( -0.054 0.559 1.014) 1.159 8.185 ( -0.220 -0.816 -0.704) 1.100 8.185 ( 0.220 -0.816 0.704) 1.100 8.287 ( 0.721 -0.571 -0.573) 1.084 8.287 ( -0.721 -0.571 0.573) 1.084 8.843 ( -0.271 0.822 -0.491) 0.996 8.843 ( 0.271 0.822 0.491) 0.996 8.912 ( -0.378 -0.666 -1.070) 1.316 8.912 ( 0.378 -0.666 1.070) 1.316 9.210 ( 0.230 -0.202 -0.875) 0.927 9.210 ( -0.230 -0.202 0.875) 0.927 9.262 ( -0.048 -0.582 -1.175) 1.312 9.262 ( 0.048 -0.582 1.175) 1.312======================= Grid point 64 (32/33) =======================q-point: ( 0.20 0.40 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 51Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.310 ( -0.316 2.978 -2.601) 3.966 0.378 ( -2.441 -0.845 -3.335) 4.218 0.389 ( 0.958 -0.972 1.451) 1.992 0.427 ( -0.213 -3.441 -0.934) 3.571 0.538 ( 1.844 0.303 -0.636) 1.975 0.585 ( 1.981 -3.765 -2.175) 4.778 0.617 ( 2.078 3.225 2.305) 4.476 0.655 ( 0.549 -0.628 1.225) 1.482 0.674 ( -0.032 0.252 0.402) 0.476 0.714 ( 3.166 -3.032 2.588) 5.090 0.716 ( -0.480 0.940 2.902) 3.089 0.731 ( 0.672 -0.593 1.824) 2.032 0.776 ( 0.749 0.971 -2.097) 2.429 0.793 ( 1.258 -0.862 -2.066) 2.568 0.848 ( -3.400 3.054 0.587) 4.608 0.866 ( -1.675 0.132 -1.840) 2.492 0.879 ( -0.556 0.439 -0.691) 0.990 0.914 ( -1.084 0.953 0.016) 1.443 0.921 ( -2.207 -0.879 -0.141) 2.379 0.934 ( -0.108 -0.044 -2.399) 2.401 0.943 ( -0.168 0.569 -0.341) 0.684 0.952 ( -2.861 -1.837 -0.208) 3.407 0.996 ( -1.598 -0.277 -0.882) 1.846 1.009 ( 0.456 -0.743 -0.016) 0.872 1.049 ( -0.365 1.186 0.283) 1.273 1.065 ( 1.103 0.594 -0.116) 1.258 1.069 ( 2.166 -0.159 1.305) 2.534 1.089 ( -0.238 -1.622 0.420) 1.692 1.173 ( 1.533 1.521 0.176) 2.167 1.182 ( 1.324 1.345 -0.509) 1.955 1.197 ( -1.626 0.445 1.513) 2.265 1.201 ( -0.911 0.658 -0.450) 1.211 1.214 ( -0.980 1.266 1.282) 2.051 1.245 ( 1.453 -1.442 1.117) 2.332 1.267 ( -1.226 -0.172 0.407) 1.303 1.283 ( -0.914 -1.421 -0.324) 1.720 1.294 ( 0.899 0.845 -0.301) 1.270 1.312 ( 1.098 -0.916 0.483) 1.509 1.349 ( 1.203 0.436 -0.867) 1.545 1.361 ( 1.782 -0.906 -1.031) 2.249 1.404 ( 1.426 0.656 0.824) 1.773 1.417 ( 1.054 -0.248 -0.534) 1.208 1.439 ( -1.286 0.662 0.383) 1.496 1.460 ( -1.033 -1.154 -0.102) 1.552 1.509 ( -0.324 0.886 0.172) 0.959 1.529 ( -0.590 -1.169 -0.013) 1.309 1.548 ( 0.709 1.748 -0.350) 1.918 1.571 ( 0.721 -0.407 -0.073) 0.831 1.615 ( 1.286 1.585 -0.030) 2.042 1.648 ( 1.487 -0.301 0.376) 1.563 1.664 ( -0.023 -0.858 -0.711) 1.114 1.696 ( 0.101 -2.662 0.232) 2.674 1.859 ( -0.142 1.253 0.065) 1.263 1.879 ( 0.230 -0.765 -0.100) 0.806 1.883 ( -1.278 0.191 0.222) 1.311 1.886 ( -1.305 0.053 0.197) 1.321 1.945 ( -0.372 0.530 -0.346) 0.734 1.963 ( -0.710 -1.285 0.455) 1.537 2.029 ( 2.164 0.605 1.397) 2.646 2.043 ( 2.614 -0.914 1.023) 2.952 2.063 ( -2.934 0.581 -0.608) 3.052 2.076 ( -2.058 -0.792 -0.611) 2.288 2.196 ( 0.482 1.168 -0.108) 1.268 2.215 ( 0.589 -0.660 0.760) 1.166 2.247 ( -0.707 0.102 -0.281) 0.768 2.255 ( -0.682 -0.521 0.162) 0.873 2.497 ( 0.214 0.597 -0.119) 0.645 2.512 ( 1.304 -0.581 0.302) 1.459 2.539 ( -2.188 0.276 -0.294) 2.225 2.560 ( -0.953 -1.530 -0.344) 1.835 2.579 ( 0.156 0.131 0.815) 0.840 2.582 ( 0.924 -0.198 0.857) 1.276 2.622 ( 0.661 0.848 0.034) 1.076 2.637 ( 1.340 -0.692 -0.125) 1.514 2.668 ( -0.518 1.624 -0.168) 1.713 2.692 ( 0.390 -0.054 -0.159) 0.424 2.701 ( 1.189 0.731 -0.274) 1.422 2.727 ( 1.505 -1.033 0.488) 1.890 2.788 ( -0.990 0.681 0.204) 1.219 2.796 ( -0.892 -0.190 -0.192) 0.932 2.846 ( 0.149 1.051 -0.390) 1.131 2.863 ( 0.500 -0.771 -0.524) 1.058 2.918 ( -1.299 1.287 -0.693) 1.956 2.940 ( -0.981 -0.948 -0.301) 1.397 2.989 ( 0.135 0.103 0.576) 0.601 2.994 ( 0.548 -0.393 1.445) 1.595 3.069 ( 0.085 -0.165 -0.376) 0.419 3.072 ( -0.618 -0.473 -0.300) 0.833 3.196 ( 0.229 0.442 -0.436) 0.662 3.204 ( 0.367 -0.317 -0.440) 0.655 3.243 ( -0.629 0.739 0.185) 0.988 3.257 ( -0.525 -0.712 -0.041) 0.885 5.393 ( 2.519 0.301 -0.084) 2.538 5.401 ( 2.897 -0.507 0.572) 2.996 5.439 ( 1.000 0.716 0.049) 1.231 5.452 ( 1.334 -0.668 -0.269) 1.516 5.586 ( 0.594 0.573 0.220) 0.854 5.597 ( 0.694 -0.507 0.348) 0.927 5.620 ( 1.838 0.768 0.008) 1.992 5.637 ( 2.504 -0.890 -0.177) 2.664 5.696 ( -0.497 0.051 0.113) 0.513 5.698 ( -0.451 -0.216 -0.298) 0.582 5.849 ( 0.341 0.246 0.133) 0.441 5.853 ( 0.354 -0.211 0.218) 0.466 5.872 ( 2.069 0.191 -0.182) 2.085 5.876 ( 2.000 -0.233 -0.229) 2.026 6.243 ( -0.436 0.332 -1.126) 1.252 6.252 ( -0.383 -0.616 -1.057) 1.282 6.276 ( 0.629 0.704 -0.067) 0.946 6.289 ( 0.150 -0.509 -0.242) 0.583 6.354 ( -0.233 -0.009 0.851) 0.882 6.359 ( -0.588 -0.472 1.258) 1.467 7.003 ( -0.635 0.252 -0.519) 0.858 7.008 ( -0.543 -0.198 -0.635) 0.858 7.088 ( 0.336 0.195 0.471) 0.611 7.093 ( 0.541 -0.399 -0.015) 0.672 8.119 ( 0.144 1.058 0.061) 1.070 8.123 ( 0.280 0.819 -0.192) 0.887 8.165 ( -0.539 0.177 0.494) 0.752 8.173 ( -0.642 -0.681 -0.415) 1.024 8.185 ( 0.632 0.400 2.097) 2.226 8.191 ( 0.296 -0.374 1.215) 1.305 8.271 ( -0.890 0.455 -0.597) 1.164 8.289 ( -0.437 -1.435 -1.610) 2.201 8.841 ( 0.294 1.146 -0.455) 1.268 8.852 ( 0.433 0.163 0.165) 0.491 8.898 ( -0.534 0.298 -0.849) 1.047 8.913 ( -0.507 -1.178 0.782) 1.503 9.197 ( -0.981 0.003 0.447) 1.078 9.201 ( -0.734 -0.425 -0.984) 1.299 9.247 ( -0.934 0.063 -1.045) 1.403 9.254 ( -1.132 -0.699 0.911) 1.613======================= Grid point 65 (33/33) =======================q-point: ( 0.40 0.40 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 51Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.298 ( 0.336 0.104 0.034) 0.354 0.329 ( -2.041 -2.754 -2.295) 4.125 0.460 ( 5.479 -0.605 -0.320) 5.522 0.481 ( 5.013 -2.416 -0.929) 5.641 0.559 ( -0.432 1.188 0.492) 1.357 0.576 ( -2.296 -0.427 -0.773) 2.460 0.623 ( -1.988 0.233 -0.156) 2.008 0.653 ( 1.190 -2.245 0.807) 2.666 0.667 ( -4.508 0.237 -0.065) 4.515 0.682 ( -2.599 -0.925 1.868) 3.332 0.713 ( 0.975 0.612 2.399) 2.661 0.746 ( 1.330 -2.515 2.027) 3.494 0.758 ( -1.770 1.366 -2.232) 3.159 0.788 ( -1.381 -1.337 -1.398) 2.376 0.846 ( -0.459 0.682 0.196) 0.845 0.852 ( -0.915 0.057 -1.806) 2.025 0.880 ( 2.036 0.561 -1.381) 2.523 0.891 ( 0.209 -0.159 0.558) 0.617 0.921 ( 0.384 1.179 -0.465) 1.324 0.926 ( 0.433 1.355 0.097) 1.426 0.943 ( 0.615 1.338 -0.411) 1.529 0.957 ( 0.044 1.218 0.262) 1.247 0.977 ( 2.154 -0.779 -0.251) 2.304 1.012 ( -0.131 -2.535 0.436) 2.575 1.037 ( 0.191 0.770 0.219) 0.823 1.064 ( -1.019 -1.290 -0.695) 1.784 1.102 ( 0.842 0.376 0.416) 1.012 1.113 ( 0.142 -1.255 0.884) 1.542 1.160 ( 0.066 0.834 1.106) 1.387 1.171 ( -1.157 -0.354 0.872) 1.491 1.182 ( -1.358 1.222 -0.256) 1.845 1.203 ( -1.057 -0.083 0.334) 1.112 1.220 ( 1.159 1.100 -0.717) 1.751 1.229 ( -0.261 -0.048 -0.625) 0.679 1.279 ( 0.824 0.361 1.054) 1.386 1.285 ( 0.673 -0.137 0.375) 0.783 1.324 ( 1.221 0.381 -0.462) 1.360 1.336 ( 2.143 -1.024 0.249) 2.388 1.354 ( -1.144 1.656 -1.246) 2.367 1.382 ( -0.899 -1.126 -1.176) 1.860 1.421 ( 0.758 0.922 -0.423) 1.267 1.430 ( 0.198 0.159 1.040) 1.070 1.434 ( -0.074 -0.220 0.063) 0.240 1.438 ( 0.149 -0.272 0.220) 0.381 1.502 ( -0.096 0.286 0.138) 0.331 1.509 ( -0.775 -0.389 -0.007) 0.867 1.580 ( 1.881 1.276 -0.568) 2.343 1.591 ( 0.898 0.295 -0.417) 1.033 1.648 ( 1.261 1.538 0.144) 1.994 1.658 ( -0.075 1.421 0.234) 1.442 1.689 ( 1.260 -2.548 0.653) 2.917 1.697 ( 0.111 -2.466 0.345) 2.492 1.852 ( -1.302 0.347 -0.146) 1.355 1.854 ( -1.522 0.114 0.133) 1.532 1.870 ( 0.831 0.774 0.852) 1.419 1.882 ( 0.007 -0.485 -0.180) 0.517 1.946 ( 0.728 0.458 -0.173) 0.877 1.962 ( 0.428 -0.969 0.558) 1.197 1.992 ( -3.254 0.058 -0.887) 3.373 1.998 ( -2.688 -0.543 -0.597) 2.806 2.088 ( 1.282 -0.284 0.478) 1.397 2.090 ( 1.207 -0.490 0.355) 1.350 2.209 ( 0.538 0.628 0.309) 0.883 2.222 ( -0.511 -0.691 -0.057) 0.861 2.236 ( 0.076 0.426 0.220) 0.486 2.241 ( -0.371 -0.095 -0.058) 0.387 2.498 ( 0.179 0.593 0.266) 0.674 2.507 ( -0.832 0.146 -0.059) 0.847 2.537 ( 1.101 -0.553 0.389) 1.292 2.552 ( -0.180 -1.645 -0.708) 1.800 2.597 ( 1.051 1.242 0.863) 1.842 2.615 ( 0.339 -0.310 0.969) 1.072 2.629 ( 0.519 0.998 0.319) 1.170 2.646 ( -0.269 -0.160 -1.669) 1.699 2.658 ( 0.188 1.256 -0.169) 1.281 2.679 ( -1.589 -0.333 0.310) 1.653 2.713 ( 0.675 0.251 -0.567) 0.917 2.727 ( -0.713 -0.693 0.657) 1.192 2.779 ( -0.410 0.425 0.310) 0.667 2.782 ( -0.532 0.130 0.074) 0.552 2.851 ( 0.758 0.987 -0.464) 1.328 2.866 ( -0.140 -0.374 -0.530) 0.664 2.895 ( -0.467 0.460 -0.387) 0.761 2.910 ( -1.571 -1.001 0.018) 1.863 3.008 ( 1.424 0.680 1.190) 1.976 3.023 ( 1.298 -0.896 1.284) 2.033 3.051 ( -0.938 0.441 -0.610) 1.203 3.064 ( -0.731 -0.817 -0.900) 1.419 3.200 ( 0.273 0.250 -0.387) 0.536 3.204 ( -0.161 -0.127 -0.230) 0.308 3.240 ( 0.182 0.155 -0.086) 0.254 3.246 ( -0.485 -0.424 0.117) 0.655 5.434 ( 1.227 0.567 0.140) 1.359 5.441 ( 0.586 0.082 0.159) 0.612 5.462 ( 1.069 -0.033 0.373) 1.133 5.470 ( 0.409 -0.638 -0.478) 0.897 5.605 ( 0.972 0.776 0.319) 1.284 5.613 ( 0.383 0.241 0.170) 0.483 5.652 ( 1.069 -0.217 0.143) 1.101 5.666 ( -0.054 -1.321 -0.306) 1.357 5.695 ( 0.477 0.112 0.125) 0.506 5.697 ( 0.331 -0.138 -0.164) 0.394 5.852 ( 0.095 0.146 -0.096) 0.199 5.854 ( -0.110 -0.074 0.026) 0.135 5.920 ( 1.810 -0.063 -0.001) 1.811 5.920 ( 1.712 -0.131 -0.062) 1.718 6.236 ( 0.074 0.495 -0.305) 0.586 6.243 ( -0.436 -0.234 -0.330) 0.595 6.287 ( 0.381 0.604 0.198) 0.741 6.291 ( 0.105 0.295 0.265) 0.410 6.344 ( -0.960 -1.259 2.140) 2.663 6.346 ( -0.363 -1.521 -2.203) 2.701 6.993 ( -0.166 0.288 -0.168) 0.372 6.996 ( -0.367 0.031 -0.474) 0.600 7.097 ( 0.405 0.182 0.247) 0.508 7.101 ( 0.114 -0.206 0.050) 0.241 8.125 ( 0.429 0.817 -0.111) 0.930 8.129 ( 0.223 0.638 -0.018) 0.676 8.155 ( -0.415 -0.210 0.192) 0.504 8.159 ( -0.661 -0.478 -0.100) 0.822 8.207 ( 0.890 0.257 1.774) 2.001 8.211 ( 0.859 -0.068 2.385) 2.536 8.250 ( -0.724 0.346 -1.464) 1.669 8.262 ( -1.427 -0.942 -2.168) 2.761 8.852 ( 0.742 0.914 -0.257) 1.205 8.859 ( 0.059 0.310 0.316) 0.446 8.891 ( 0.158 0.029 -0.673) 0.692 8.901 ( -0.810 -0.818 0.484) 1.249 9.183 ( -0.442 0.015 0.638) 0.776 9.185 ( -0.396 -0.208 -1.025) 1.118 9.229 ( -0.334 0.035 -0.918) 0.978 9.233 ( -0.942 -0.379 0.918) 1.369=================== 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 3/13200 10.0 0.888 0.590 0.760 0.000 -0.069 0.000 3/13200 20.0 0.351 0.231 0.308 0.000 -0.024 0.000 3/13200 30.0 0.225 0.149 0.197 0.000 -0.014 0.000 3/13200 40.0 0.170 0.112 0.148 0.000 -0.009 0.000 3/13200 50.0 0.138 0.091 0.120 0.000 -0.007 0.000 3/13200 60.0 0.118 0.078 0.102 0.000 -0.006 0.000 3/13200 70.0 0.103 0.068 0.090 0.000 -0.005 0.000 3/13200 80.0 0.092 0.061 0.080 0.000 -0.004 0.000 3/13200 90.0 0.084 0.055 0.073 0.000 -0.004 0.000 3/13200 100.0 0.077 0.050 0.067 0.000 -0.003 0.000 3/13200 110.0 0.071 0.046 0.062 0.000 -0.003 0.000 3/13200 120.0 0.066 0.043 0.058 0.000 -0.003 0.000 3/13200 130.0 0.062 0.040 0.054 0.000 -0.003 0.000 3/13200 140.0 0.058 0.037 0.051 0.000 -0.002 0.000 3/13200 150.0 0.055 0.035 0.048 0.000 -0.002 0.000 3/13200 160.0 0.052 0.033 0.046 0.000 -0.002 0.000 3/13200 170.0 0.049 0.032 0.043 0.000 -0.002 0.000 3/13200 180.0 0.047 0.030 0.041 0.000 -0.002 0.000 3/13200 190.0 0.044 0.029 0.039 0.000 -0.002 0.000 3/13200 200.0 0.042 0.027 0.038 0.000 -0.002 0.000 3/13200 210.0 0.041 0.026 0.036 0.000 -0.002 0.000 3/13200 220.0 0.039 0.025 0.035 0.000 -0.002 0.000 3/13200 230.0 0.037 0.024 0.033 0.000 -0.002 0.000 3/13200 240.0 0.036 0.023 0.032 0.000 -0.001 0.000 3/13200 250.0 0.035 0.022 0.031 0.000 -0.001 0.000 3/13200 260.0 0.033 0.021 0.030 0.000 -0.001 0.000 3/13200 270.0 0.032 0.021 0.029 0.000 -0.001 0.000 3/13200 280.0 0.031 0.020 0.028 0.000 -0.001 0.000 3/13200 290.0 0.030 0.019 0.027 0.000 -0.001 0.000 3/13200 300.0 0.029 0.019 0.026 0.000 -0.001 0.000 3/13200 310.0 0.028 0.018 0.026 0.000 -0.001 0.000 3/13200 320.0 0.028 0.018 0.025 0.000 -0.001 0.000 3/13200 330.0 0.027 0.017 0.024 0.000 -0.001 0.000 3/13200 340.0 0.026 0.017 0.023 0.000 -0.001 0.000 3/13200 350.0 0.025 0.016 0.023 0.000 -0.001 0.000 3/13200 360.0 0.025 0.016 0.022 0.000 -0.001 0.000 3/13200 370.0 0.024 0.015 0.022 0.000 -0.001 0.000 3/13200 380.0 0.024 0.015 0.021 0.000 -0.001 0.000 3/13200 390.0 0.023 0.015 0.021 0.000 -0.001 0.000 3/13200 400.0 0.022 0.014 0.020 0.000 -0.001 0.000 3/13200 410.0 0.022 0.014 0.020 0.000 -0.001 0.000 3/13200 420.0 0.021 0.014 0.019 0.000 -0.001 0.000 3/13200 430.0 0.021 0.013 0.019 0.000 -0.001 0.000 3/13200 440.0 0.020 0.013 0.018 0.000 -0.001 0.000 3/13200 450.0 0.020 0.013 0.018 0.000 -0.001 0.000 3/13200 460.0 0.020 0.012 0.018 0.000 -0.001 0.000 3/13200 470.0 0.019 0.012 0.017 0.000 -0.001 0.000 3/13200 480.0 0.019 0.012 0.017 0.000 -0.001 0.000 3/13200 490.0 0.018 0.012 0.017 0.000 -0.001 0.000 3/13200 500.0 0.018 0.011 0.016 0.000 -0.001 0.000 3/13200 510.0 0.018 0.011 0.016 0.000 -0.001 0.000 3/13200 520.0 0.017 0.011 0.016 0.000 -0.001 0.000 3/13200 530.0 0.017 0.011 0.015 0.000 -0.001 0.000 3/13200 540.0 0.017 0.011 0.015 0.000 -0.001 0.000 3/13200 550.0 0.017 0.010 0.015 0.000 -0.001 0.000 3/13200 560.0 0.016 0.010 0.015 0.000 -0.001 0.000 3/13200 570.0 0.016 0.010 0.014 0.000 -0.001 0.000 3/13200 580.0 0.016 0.010 0.014 0.000 -0.001 0.000 3/13200 590.0 0.015 0.010 0.014 0.000 -0.001 0.000 3/13200 600.0 0.015 0.010 0.014 0.000 -0.001 0.000 3/13200 610.0 0.015 0.009 0.014 0.000 -0.001 0.000 3/13200 620.0 0.015 0.009 0.013 0.000 -0.001 0.000 3/13200 630.0 0.015 0.009 0.013 0.000 -0.001 0.000 3/13200 640.0 0.014 0.009 0.013 0.000 -0.001 0.000 3/13200 650.0 0.014 0.009 0.013 0.000 -0.001 0.000 3/13200 660.0 0.014 0.009 0.013 0.000 -0.001 0.000 3/13200 670.0 0.014 0.009 0.012 0.000 -0.001 0.000 3/13200 680.0 0.013 0.008 0.012 0.000 -0.001 0.000 3/13200 690.0 0.013 0.008 0.012 0.000 -0.001 0.000 3/13200 700.0 0.013 0.008 0.012 0.000 -0.001 0.000 3/13200 710.0 0.013 0.008 0.012 0.000 -0.001 0.000 3/13200 720.0 0.013 0.008 0.012 0.000 -0.001 0.000 3/13200 730.0 0.013 0.008 0.011 0.000 -0.001 0.000 3/13200 740.0 0.012 0.008 0.011 0.000 -0.000 0.000 3/13200 750.0 0.012 0.008 0.011 0.000 -0.000 0.000 3/13200 760.0 0.012 0.008 0.011 0.000 -0.000 0.000 3/13200 770.0 0.012 0.007 0.011 0.000 -0.000 0.000 3/13200 780.0 0.012 0.007 0.011 0.000 -0.000 0.000 3/13200 790.0 0.012 0.007 0.011 0.000 -0.000 0.000 3/13200 800.0 0.012 0.007 0.010 0.000 -0.000 0.000 3/13200 810.0 0.011 0.007 0.010 0.000 -0.000 0.000 3/13200 820.0 0.011 0.007 0.010 0.000 -0.000 0.000 3/13200 830.0 0.011 0.007 0.010 0.000 -0.000 0.000 3/13200 840.0 0.011 0.007 0.010 0.000 -0.000 0.000 3/13200 850.0 0.011 0.007 0.010 0.000 -0.000 0.000 3/13200 860.0 0.011 0.007 0.010 0.000 -0.000 0.000 3/13200 870.0 0.011 0.007 0.010 0.000 -0.000 0.000 3/13200 880.0 0.010 0.007 0.010 0.000 -0.000 0.000 3/13200 890.0 0.010 0.007 0.009 0.000 -0.000 0.000 3/13200 900.0 0.010 0.006 0.009 0.000 -0.000 0.000 3/13200 910.0 0.010 0.006 0.009 0.000 -0.000 0.000 3/13200 920.0 0.010 0.006 0.009 0.000 -0.000 0.000 3/13200 930.0 0.010 0.006 0.009 0.000 -0.000 0.000 3/13200 940.0 0.010 0.006 0.009 0.000 -0.000 0.000 3/13200 950.0 0.010 0.006 0.009 0.000 -0.000 0.000 3/13200 960.0 0.010 0.006 0.009 0.000 -0.000 0.000 3/13200 970.0 0.010 0.006 0.009 0.000 -0.000 0.000 3/13200 980.0 0.009 0.006 0.009 0.000 -0.000 0.000 3/13200 990.0 0.009 0.006 0.009 0.000 -0.000 0.000 3/13200 1000.0 0.009 0.006 0.008 0.000 -0.000 0.000 3/13200Thermal conductivity related properties were written into "kappa-m554.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 18:57:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|