----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 15:35:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 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 4.911799220064438 0.000000000000000 0.000000000000000 b 0.000000000000000 12.017582579999999 0.000000000000000 c -2.592536728514457 0.000000000000000 9.181612920024858 Atomic positions (fractional): *1 Na 0.85036712255014 0.12057848073928 0.61181490117131 22.990 *2 Na 0.52840841336025 0.80363445961639 0.82308625476728 22.990 3 Na 0.47159158663975 0.30363445961639 0.67691374523272 22.990 4 Na 0.85036712255014 0.37942151926072 0.11181490117131 22.990 5 Na 0.47159158663975 0.19636554038361 0.17691374523272 22.990 6 Na 0.14963287744986 0.62057848073928 0.88818509882869 22.990 7 Na 0.14963287744986 0.87942151926072 0.38818509882869 22.990 8 Na 0.52840841336025 0.69636554038361 0.32308625476728 22.990 *9 Li 0.25898677722985 0.99604552069111 0.02074492494745 6.941 *10 Li 0.72367672102419 0.65312726198385 0.64342765617198 6.941 *11 Li 0.31400328649647 0.35181068733753 0.94144198706627 6.941 12 Li 0.68599671350353 0.85181068733753 0.55855801293373 6.941 *13 Li 0.02341386063093 0.89780214693917 0.79785192490793 6.941 14 Li 0.97658613936907 0.39780214693917 0.70214807509207 6.941 15 Li 0.25898677722985 0.50395447930889 0.52074492494745 6.941 16 Li 0.74101322277015 0.00395447930889 0.97925507505255 6.941 17 Li 0.27632327897581 0.15312726198386 0.85657234382802 6.941 18 Li 0.97658613936907 0.10219785306083 0.20214807509207 6.941 19 Li 0.72367672102419 0.84687273801615 0.14342765617198 6.941 20 Li 0.31400328649647 0.14818931266247 0.44144198706627 6.941 21 Li 0.02341386063093 0.60219785306083 0.29785192490793 6.941 22 Li 0.27632327897581 0.34687273801614 0.35657234382802 6.941 23 Li 0.74101322277015 0.49604552069112 0.47925507505255 6.941 24 Li 0.68599671350353 0.64818931266247 0.05855801293373 6.941 *25 B 0.86069663573322 0.21117042664676 0.92270389606816 10.811 26 B 0.13930336426678 0.71117042664676 0.57729610393184 10.811 27 B 0.86069663573322 0.28882957335324 0.42270389606816 10.811 *28 B 0.45496046834988 0.47720379293782 0.21975632288728 10.811 29 B 0.45496046834988 0.02279620706218 0.71975632288728 10.811 30 B 0.54503953165012 0.97720379293782 0.28024367711272 10.811 31 B 0.13930336426678 0.78882957335324 0.07729610393184 10.811 32 B 0.54503953165012 0.52279620706218 0.78024367711272 10.811 *33 O 0.36170044754661 0.50791559082621 0.34095176449120 15.999 *34 O 0.66631354476329 0.61535519205699 0.85907576952768 15.999 *35 O 0.96686059291577 0.23467263346396 0.31916835934855 15.999 *36 O 0.39403405229221 0.75865717041163 0.05309813208619 15.999 *37 O 0.97614392129757 0.87411520052751 0.99654411941441 15.999 38 O 0.63829955245339 0.00791559082621 0.15904823550880 15.999 *39 O 0.32311598679977 0.46495181825776 0.80781444588259 15.999 40 O 0.63829955245339 0.49208440917379 0.65904823550880 15.999 41 O 0.96686059291577 0.26532736653604 0.81916835934855 15.999 42 O 0.32311598679977 0.03504818174224 0.30781444588259 15.999 43 O 0.03313940708423 0.73467263346396 0.18083164065145 15.999 44 O 0.02385607870243 0.12588479947249 0.00345588058559 15.999 45 O 0.97614392129757 0.62588479947249 0.49654411941441 15.999 46 O 0.60596594770779 0.25865717041163 0.44690186791381 15.999 47 O 0.03313940708423 0.76532736653604 0.68083164065145 15.999 48 O 0.66631354476329 0.88464480794301 0.35907576952768 15.999 49 O 0.36170044754661 0.99208440917379 0.84095176449120 15.999 50 O 0.39403405229221 0.74134282958837 0.55309813208619 15.999 51 O 0.02385607870243 0.37411520052751 0.50345588058559 15.999 52 O 0.33368645523671 0.11535519205699 0.64092423047232 15.999 53 O 0.67688401320023 0.96495181825776 0.69218555411741 15.999 54 O 0.33368645523671 0.38464480794301 0.14092423047232 15.999 55 O 0.60596594770779 0.24134282958837 0.94690186791381 15.999 56 O 0.67688401320023 0.53504818174224 0.19218555411741 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.911799220064438 0.000000000000000 0.000000000000000 b 0.000000000000000 12.017582579999999 0.000000000000000 c -2.592536728514457 0.000000000000000 9.181612920024858 Atomic positions (fractional): *1 Na 0.85036712255014 0.12057848073928 0.61181490117131 22.990 > 1 *2 Na 0.52840841336025 0.80363445961639 0.82308625476728 22.990 > 2 3 Na 0.47159158663975 0.30363445961639 0.67691374523272 22.990 > 3 4 Na 0.85036712255014 0.37942151926072 0.11181490117131 22.990 > 4 5 Na 0.47159158663975 0.19636554038361 0.17691374523272 22.990 > 5 6 Na 0.14963287744986 0.62057848073928 0.88818509882869 22.990 > 6 7 Na 0.14963287744986 0.87942151926072 0.38818509882869 22.990 > 7 8 Na 0.52840841336025 0.69636554038361 0.32308625476728 22.990 > 8 *9 Li 0.25898677722985 0.99604552069111 0.02074492494745 6.941 > 9 *10 Li 0.72367672102419 0.65312726198385 0.64342765617198 6.941 > 10 *11 Li 0.31400328649647 0.35181068733753 0.94144198706627 6.941 > 11 12 Li 0.68599671350353 0.85181068733753 0.55855801293373 6.941 > 12 *13 Li 0.02341386063093 0.89780214693917 0.79785192490793 6.941 > 13 14 Li 0.97658613936907 0.39780214693917 0.70214807509207 6.941 > 14 15 Li 0.25898677722985 0.50395447930889 0.52074492494745 6.941 > 15 16 Li 0.74101322277015 0.00395447930889 0.97925507505255 6.941 > 16 17 Li 0.27632327897581 0.15312726198386 0.85657234382802 6.941 > 17 18 Li 0.97658613936907 0.10219785306083 0.20214807509207 6.941 > 18 19 Li 0.72367672102419 0.84687273801615 0.14342765617198 6.941 > 19 20 Li 0.31400328649647 0.14818931266247 0.44144198706627 6.941 > 20 21 Li 0.02341386063093 0.60219785306083 0.29785192490793 6.941 > 21 22 Li 0.27632327897581 0.34687273801614 0.35657234382802 6.941 > 22 23 Li 0.74101322277015 0.49604552069112 0.47925507505255 6.941 > 23 24 Li 0.68599671350353 0.64818931266247 0.05855801293373 6.941 > 24 *25 B 0.86069663573322 0.21117042664676 0.92270389606816 10.811 > 25 26 B 0.13930336426678 0.71117042664676 0.57729610393184 10.811 > 26 27 B 0.86069663573322 0.28882957335324 0.42270389606816 10.811 > 27 *28 B 0.45496046834988 0.47720379293782 0.21975632288728 10.811 > 28 29 B 0.45496046834988 0.02279620706218 0.71975632288728 10.811 > 29 30 B 0.54503953165012 0.97720379293782 0.28024367711272 10.811 > 30 31 B 0.13930336426678 0.78882957335324 0.07729610393184 10.811 > 31 32 B 0.54503953165012 0.52279620706218 0.78024367711272 10.811 > 32 *33 O 0.36170044754661 0.50791559082621 0.34095176449120 15.999 > 33 *34 O 0.66631354476329 0.61535519205699 0.85907576952768 15.999 > 34 *35 O 0.96686059291577 0.23467263346396 0.31916835934855 15.999 > 35 *36 O 0.39403405229221 0.75865717041163 0.05309813208619 15.999 > 36 *37 O 0.97614392129757 0.87411520052751 0.99654411941441 15.999 > 37 38 O 0.63829955245339 0.00791559082621 0.15904823550880 15.999 > 38 *39 O 0.32311598679977 0.46495181825776 0.80781444588259 15.999 > 39 40 O 0.63829955245339 0.49208440917379 0.65904823550880 15.999 > 40 41 O 0.96686059291577 0.26532736653604 0.81916835934855 15.999 > 41 42 O 0.32311598679977 0.03504818174224 0.30781444588259 15.999 > 42 43 O 0.03313940708423 0.73467263346396 0.18083164065145 15.999 > 43 44 O 0.02385607870243 0.12588479947249 0.00345588058559 15.999 > 44 45 O 0.97614392129757 0.62588479947249 0.49654411941441 15.999 > 45 46 O 0.60596594770779 0.25865717041163 0.44690186791381 15.999 > 46 47 O 0.03313940708423 0.76532736653604 0.68083164065145 15.999 > 47 48 O 0.66631354476329 0.88464480794301 0.35907576952768 15.999 > 48 49 O 0.36170044754661 0.99208440917379 0.84095176449120 15.999 > 49 50 O 0.39403405229221 0.74134282958837 0.55309813208619 15.999 > 50 51 O 0.02385607870243 0.37411520052751 0.50345588058559 15.999 > 51 52 O 0.33368645523671 0.11535519205699 0.64092423047232 15.999 > 52 53 O 0.67688401320023 0.96495181825776 0.69218555411741 15.999 > 53 54 O 0.33368645523671 0.38464480794301 0.14092423047232 15.999 > 54 55 O 0.60596594770779 0.24134282958837 0.94690186791381 15.999 > 55 56 O 0.67688401320023 0.53504818174224 0.19218555411741 15.999 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.823598440128876 0.000000000000000 0.000000000000000 b 0.000000000000000 12.017582579999999 0.000000000000000 c -2.592536728514457 0.000000000000000 9.181612920024858 Atomic positions (fractional): *1 Na 0.42518356127507 0.12057848073928 0.61181490117131 22.990 > 1 2 Na 0.92518356127507 0.12057848073928 0.61181490117131 22.990 > 1 *3 Na 0.26420420668013 0.80363445961639 0.82308625476728 22.990 > 2 4 Na 0.76420420668013 0.80363445961639 0.82308625476728 22.990 > 2 5 Na 0.23579579331987 0.30363445961639 0.67691374523272 22.990 > 3 6 Na 0.73579579331987 0.30363445961639 0.67691374523272 22.990 > 3 7 Na 0.42518356127507 0.37942151926072 0.11181490117131 22.990 > 4 8 Na 0.92518356127507 0.37942151926072 0.11181490117131 22.990 > 4 9 Na 0.23579579331987 0.19636554038361 0.17691374523272 22.990 > 5 10 Na 0.73579579331987 0.19636554038361 0.17691374523272 22.990 > 5 11 Na 0.07481643872493 0.62057848073928 0.88818509882869 22.990 > 6 12 Na 0.57481643872493 0.62057848073928 0.88818509882869 22.990 > 6 13 Na 0.07481643872493 0.87942151926072 0.38818509882869 22.990 > 7 14 Na 0.57481643872493 0.87942151926072 0.38818509882869 22.990 > 7 15 Na 0.26420420668013 0.69636554038361 0.32308625476728 22.990 > 8 16 Na 0.76420420668013 0.69636554038361 0.32308625476728 22.990 > 8 *17 Li 0.12949338861492 0.99604552069111 0.02074492494745 6.941 > 9 18 Li 0.62949338861492 0.99604552069111 0.02074492494745 6.941 > 9 *19 Li 0.36183836051210 0.65312726198385 0.64342765617198 6.941 > 10 20 Li 0.86183836051210 0.65312726198385 0.64342765617198 6.941 > 10 *21 Li 0.15700164324823 0.35181068733753 0.94144198706627 6.941 > 11 22 Li 0.65700164324823 0.35181068733753 0.94144198706627 6.941 > 11 23 Li 0.34299835675177 0.85181068733753 0.55855801293373 6.941 > 12 24 Li 0.84299835675177 0.85181068733753 0.55855801293373 6.941 > 12 *25 Li 0.01170693031546 0.89780214693917 0.79785192490793 6.941 > 13 26 Li 0.51170693031546 0.89780214693917 0.79785192490793 6.941 > 13 27 Li 0.48829306968454 0.39780214693917 0.70214807509207 6.941 > 14 28 Li 0.98829306968454 0.39780214693917 0.70214807509207 6.941 > 14 29 Li 0.12949338861492 0.50395447930889 0.52074492494745 6.941 > 15 30 Li 0.62949338861492 0.50395447930889 0.52074492494745 6.941 > 15 31 Li 0.37050661138508 0.00395447930889 0.97925507505255 6.941 > 16 32 Li 0.87050661138508 0.00395447930889 0.97925507505255 6.941 > 16 33 Li 0.13816163948790 0.15312726198386 0.85657234382802 6.941 > 17 34 Li 0.63816163948790 0.15312726198386 0.85657234382802 6.941 > 17 35 Li 0.48829306968454 0.10219785306083 0.20214807509207 6.941 > 18 36 Li 0.98829306968454 0.10219785306083 0.20214807509207 6.941 > 18 37 Li 0.36183836051210 0.84687273801615 0.14342765617198 6.941 > 19 38 Li 0.86183836051210 0.84687273801615 0.14342765617198 6.941 > 19 39 Li 0.15700164324823 0.14818931266247 0.44144198706627 6.941 > 20 40 Li 0.65700164324823 0.14818931266247 0.44144198706627 6.941 > 20 41 Li 0.01170693031546 0.60219785306083 0.29785192490793 6.941 > 21 42 Li 0.51170693031546 0.60219785306083 0.29785192490793 6.941 > 21 43 Li 0.13816163948790 0.34687273801614 0.35657234382802 6.941 > 22 44 Li 0.63816163948790 0.34687273801614 0.35657234382802 6.941 > 22 45 Li 0.37050661138508 0.49604552069112 0.47925507505255 6.941 > 23 46 Li 0.87050661138508 0.49604552069112 0.47925507505255 6.941 > 23 47 Li 0.34299835675177 0.64818931266247 0.05855801293373 6.941 > 24 48 Li 0.84299835675177 0.64818931266247 0.05855801293373 6.941 > 24 *49 B 0.43034831786661 0.21117042664676 0.92270389606816 10.811 > 25 50 B 0.93034831786661 0.21117042664676 0.92270389606816 10.811 > 25 51 B 0.06965168213339 0.71117042664676 0.57729610393184 10.811 > 26 52 B 0.56965168213339 0.71117042664676 0.57729610393184 10.811 > 26 53 B 0.43034831786661 0.28882957335324 0.42270389606816 10.811 > 27 54 B 0.93034831786661 0.28882957335324 0.42270389606816 10.811 > 27 *55 B 0.22748023417494 0.47720379293782 0.21975632288728 10.811 > 28 56 B 0.72748023417494 0.47720379293782 0.21975632288728 10.811 > 28 57 B 0.22748023417494 0.02279620706218 0.71975632288728 10.811 > 29 58 B 0.72748023417494 0.02279620706218 0.71975632288728 10.811 > 29 59 B 0.27251976582506 0.97720379293782 0.28024367711272 10.811 > 30 60 B 0.77251976582506 0.97720379293782 0.28024367711272 10.811 > 30 61 B 0.06965168213339 0.78882957335324 0.07729610393184 10.811 > 31 62 B 0.56965168213339 0.78882957335324 0.07729610393184 10.811 > 31 63 B 0.27251976582506 0.52279620706218 0.78024367711272 10.811 > 32 64 B 0.77251976582506 0.52279620706218 0.78024367711272 10.811 > 32 *65 O 0.18085022377330 0.50791559082621 0.34095176449120 15.999 > 33 66 O 0.68085022377330 0.50791559082621 0.34095176449120 15.999 > 33 *67 O 0.33315677238164 0.61535519205699 0.85907576952768 15.999 > 34 68 O 0.83315677238164 0.61535519205699 0.85907576952768 15.999 > 34 *69 O 0.48343029645789 0.23467263346396 0.31916835934855 15.999 > 35 70 O 0.98343029645789 0.23467263346396 0.31916835934855 15.999 > 35 *71 O 0.19701702614610 0.75865717041163 0.05309813208619 15.999 > 36 72 O 0.69701702614610 0.75865717041163 0.05309813208619 15.999 > 36 *73 O 0.48807196064879 0.87411520052751 0.99654411941441 15.999 > 37 74 O 0.98807196064879 0.87411520052751 0.99654411941441 15.999 > 37 75 O 0.31914977622670 0.00791559082621 0.15904823550880 15.999 > 38 76 O 0.81914977622670 0.00791559082621 0.15904823550880 15.999 > 38 *77 O 0.16155799339989 0.46495181825776 0.80781444588259 15.999 > 39 78 O 0.66155799339989 0.46495181825776 0.80781444588259 15.999 > 39 79 O 0.31914977622670 0.49208440917379 0.65904823550880 15.999 > 40 80 O 0.81914977622670 0.49208440917379 0.65904823550880 15.999 > 40 81 O 0.48343029645789 0.26532736653604 0.81916835934855 15.999 > 41 82 O 0.98343029645789 0.26532736653604 0.81916835934855 15.999 > 41 83 O 0.16155799339989 0.03504818174224 0.30781444588259 15.999 > 42 84 O 0.66155799339989 0.03504818174224 0.30781444588259 15.999 > 42 85 O 0.01656970354211 0.73467263346396 0.18083164065145 15.999 > 43 86 O 0.51656970354211 0.73467263346396 0.18083164065145 15.999 > 43 87 O 0.01192803935121 0.12588479947249 0.00345588058559 15.999 > 44 88 O 0.51192803935121 0.12588479947249 0.00345588058559 15.999 > 44 89 O 0.48807196064879 0.62588479947249 0.49654411941441 15.999 > 45 90 O 0.98807196064879 0.62588479947249 0.49654411941441 15.999 > 45 91 O 0.30298297385390 0.25865717041163 0.44690186791381 15.999 > 46 92 O 0.80298297385390 0.25865717041163 0.44690186791381 15.999 > 46 93 O 0.01656970354211 0.76532736653604 0.68083164065145 15.999 > 47 94 O 0.51656970354211 0.76532736653604 0.68083164065145 15.999 > 47 95 O 0.33315677238164 0.88464480794301 0.35907576952768 15.999 > 48 96 O 0.83315677238164 0.88464480794301 0.35907576952768 15.999 > 48 97 O 0.18085022377330 0.99208440917379 0.84095176449120 15.999 > 49 98 O 0.68085022377330 0.99208440917379 0.84095176449120 15.999 > 49 99 O 0.19701702614610 0.74134282958837 0.55309813208619 15.999 > 50 100 O 0.69701702614610 0.74134282958837 0.55309813208619 15.999 > 50 101 O 0.01192803935121 0.37411520052751 0.50345588058559 15.999 > 51 102 O 0.51192803935121 0.37411520052751 0.50345588058559 15.999 > 51 103 O 0.16684322761835 0.11535519205699 0.64092423047232 15.999 > 52 104 O 0.66684322761836 0.11535519205699 0.64092423047232 15.999 > 52 105 O 0.33844200660011 0.96495181825776 0.69218555411741 15.999 > 53 106 O 0.83844200660011 0.96495181825776 0.69218555411741 15.999 > 53 107 O 0.16684322761835 0.38464480794301 0.14092423047232 15.999 > 54 108 O 0.66684322761836 0.38464480794301 0.14092423047232 15.999 > 54 109 O 0.30298297385390 0.24134282958837 0.94690186791381 15.999 > 55 110 O 0.80298297385390 0.24134282958837 0.94690186791381 15.999 > 55 111 O 0.33844200660011 0.53504818174224 0.19218555411741 15.999 > 56 112 O 0.83844200660011 0.53504818174224 0.19218555411741 15.999 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6278087 0.0000000 -0.0732596 0.0000000 2.5674675 0.0000000 -0.0732599 0.0000000 2.5652633 -------------------------- Born effective charges -------------------------- 1 Na 1.0562366 0.0643369 -0.0084566 0.0278389 1.0075012 -0.0563861 0.0198514 -0.0081627 1.0974200 2 Na 1.0103012 0.0480399 0.0112577 -0.0095733 1.0906364 0.0283648 0.0283409 0.0677132 1.0846281 3 Na 1.0103012 -0.0480399 0.0112577 0.0095733 1.0906364 -0.0283648 0.0283409 -0.0677132 1.0846281 4 Na 1.0562366 -0.0643369 -0.0084566 -0.0278389 1.0075012 0.0563861 0.0198514 0.0081627 1.0974200 5 Na 1.0103012 0.0480399 0.0112577 -0.0095733 1.0906364 0.0283648 0.0283409 0.0677132 1.0846281 6 Na 1.0562366 -0.0643369 -0.0084566 -0.0278389 1.0075012 0.0563861 0.0198514 0.0081627 1.0974200 7 Na 1.0562366 0.0643369 -0.0084566 0.0278389 1.0075012 -0.0563861 0.0198514 -0.0081627 1.0974200 8 Na 1.0103012 -0.0480399 0.0112577 0.0095733 1.0906364 -0.0283648 0.0283409 -0.0677132 1.0846281 9 Li 0.9693693 -0.0074938 -0.0230862 -0.0216991 1.0277872 -0.0117334 -0.0036582 -0.0316596 1.0739723 10 Li 1.0841197 0.0080207 -0.0746886 0.0927396 0.9114865 -0.0992997 -0.0932071 -0.1090183 0.8551732 11 Li 0.9659386 0.0203908 0.0177653 0.0238102 1.0362473 0.0302099 -0.0335818 -0.0225899 1.0105697 12 Li 0.9659386 -0.0203908 0.0177653 -0.0238102 1.0362473 -0.0302099 -0.0335818 0.0225899 1.0105697 13 Li 1.0325155 -0.0298126 0.0663520 -0.0002758 1.0145714 0.0303756 -0.0179561 0.0885544 0.9995881 14 Li 1.0325155 0.0298126 0.0663520 0.0002758 1.0145714 -0.0303756 -0.0179561 -0.0885544 0.9995881 15 Li 0.9693693 0.0074938 -0.0230862 0.0216991 1.0277872 0.0117334 -0.0036582 0.0316596 1.0739723 16 Li 0.9693693 -0.0074938 -0.0230862 -0.0216991 1.0277872 -0.0117334 -0.0036582 -0.0316596 1.0739723 17 Li 1.0841197 -0.0080207 -0.0746886 -0.0927396 0.9114865 0.0992997 -0.0932071 0.1090183 0.8551732 18 Li 1.0325155 -0.0298126 0.0663520 -0.0002758 1.0145714 0.0303756 -0.0179561 0.0885544 0.9995881 19 Li 1.0841197 -0.0080207 -0.0746886 -0.0927396 0.9114865 0.0992997 -0.0932071 0.1090183 0.8551732 20 Li 0.9659386 -0.0203908 0.0177653 -0.0238102 1.0362473 -0.0302099 -0.0335818 0.0225899 1.0105697 21 Li 1.0325155 0.0298126 0.0663520 0.0002758 1.0145714 -0.0303756 -0.0179561 -0.0885544 0.9995881 22 Li 1.0841197 0.0080207 -0.0746886 0.0927396 0.9114865 -0.0992997 -0.0932071 -0.1090183 0.8551732 23 Li 0.9693693 0.0074938 -0.0230862 0.0216991 1.0277872 0.0117334 -0.0036582 0.0316596 1.0739723 24 Li 0.9659386 0.0203908 0.0177653 0.0238102 1.0362473 0.0302099 -0.0335818 -0.0225899 1.0105697 25 B 2.3941315 -0.3595139 -0.4258877 -0.3476555 1.5387919 -0.8899755 -0.4348129 -0.8809451 1.4261303 26 B 2.3941315 0.3595139 -0.4258877 0.3476555 1.5387919 0.8899755 -0.4348129 0.8809451 1.4261303 27 B 2.3941315 0.3595139 -0.4258877 0.3476555 1.5387919 0.8899755 -0.4348129 0.8809451 1.4261303 28 B 1.8486678 0.6615970 -0.6598453 0.6985405 1.7839713 0.7231594 -0.6729617 0.6636066 1.6641022 29 B 1.8486678 -0.6615970 -0.6598453 -0.6985405 1.7839713 -0.7231594 -0.6729617 -0.6636066 1.6641022 30 B 1.8486678 -0.6615970 -0.6598453 -0.6985405 1.7839713 -0.7231594 -0.6729617 -0.6636066 1.6641022 31 B 2.3941315 -0.3595139 -0.4258877 -0.3476555 1.5387919 -0.8899755 -0.4348129 -0.8809451 1.4261303 32 B 1.8486678 0.6615970 -0.6598453 0.6985405 1.7839713 0.7231594 -0.6729617 0.6636066 1.6641022 33 O -1.6300017 0.1325043 0.5306019 0.0877949 -1.3604898 -0.2528348 0.5212610 -0.2267758 -1.8495724 34 O -1.3151719 -0.2474196 0.0003940 -0.2693938 -1.8004555 -0.5339077 0.0020112 -0.4708790 -1.6471650 35 O -1.6801149 0.2629706 0.3832332 0.2052871 -1.4981332 -0.4090819 0.3757531 -0.4563734 -1.6253497 36 O -2.2681030 0.3113224 0.1559069 0.3000774 -1.3678842 -0.0145511 0.1907203 -0.0035073 -1.2352584 37 O -1.5632096 0.3031277 -0.1205971 0.3468112 -1.8038175 0.4863394 -0.1118675 0.4718063 -1.5140302 38 O -1.6300017 -0.1325043 0.5306019 -0.0877949 -1.3604898 0.2528348 0.5212610 0.2267758 -1.8495724 39 O -1.9046790 -0.5300524 0.1470504 -0.5458717 -1.5802130 0.0625598 0.2301074 0.1531915 -1.3402082 40 O -1.6300017 0.1325043 0.5306019 0.0877949 -1.3604898 -0.2528348 0.5212610 -0.2267758 -1.8495724 41 O -1.6801149 -0.2629706 0.3832332 -0.2052871 -1.4981332 0.4090819 0.3757531 0.4563734 -1.6253497 42 O -1.9046790 0.5300524 0.1470504 0.5458717 -1.5802130 -0.0625598 0.2301074 -0.1531915 -1.3402082 43 O -1.6801149 -0.2629706 0.3832332 -0.2052871 -1.4981332 0.4090819 0.3757531 0.4563734 -1.6253497 44 O -1.5632096 0.3031277 -0.1205971 0.3468112 -1.8038175 0.4863394 -0.1118675 0.4718063 -1.5140302 45 O -1.5632096 -0.3031277 -0.1205971 -0.3468112 -1.8038175 -0.4863394 -0.1118675 -0.4718063 -1.5140302 46 O -2.2681030 -0.3113224 0.1559069 -0.3000774 -1.3678842 0.0145511 0.1907203 0.0035073 -1.2352584 47 O -1.6801149 0.2629706 0.3832332 0.2052871 -1.4981332 -0.4090819 0.3757531 -0.4563734 -1.6253497 48 O -1.3151719 0.2474196 0.0003940 0.2693938 -1.8004555 0.5339077 0.0020112 0.4708790 -1.6471650 49 O -1.6300017 -0.1325043 0.5306019 -0.0877949 -1.3604898 0.2528348 0.5212610 0.2267758 -1.8495724 50 O -2.2681030 -0.3113224 0.1559069 -0.3000774 -1.3678842 0.0145511 0.1907203 0.0035073 -1.2352584 51 O -1.5632096 -0.3031277 -0.1205971 -0.3468112 -1.8038175 -0.4863394 -0.1118675 -0.4718063 -1.5140302 52 O -1.3151719 0.2474196 0.0003940 0.2693938 -1.8004555 0.5339077 0.0020112 0.4708790 -1.6471650 53 O -1.9046790 0.5300524 0.1470504 0.5458717 -1.5802130 -0.0625598 0.2301074 -0.1531915 -1.3402082 54 O -1.3151719 -0.2474196 0.0003940 -0.2693938 -1.8004555 -0.5339077 0.0020112 -0.4708790 -1.6471650 55 O -2.2681030 0.3113224 0.1559069 0.3000774 -1.3678842 -0.0145511 0.1907203 -0.0035073 -1.2352584 56 O -1.9046790 -0.5300524 0.1470504 -0.5458717 -1.5802130 0.0625598 0.2301074 0.1531915 -1.3402082 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7224 Number of blocks in projector: 7224 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 45 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 224 eigenvectors found. (2) Block: 500 / 568 (2) 226 eigenvectors found. (2) Block: 568 / 568 (2) 56 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 542 eigenvectors found. (1) Complementary block size: 82 (1) Compute compressed projector. (1) Use standard solver. (1) 54 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 45 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 224 eigenvectors found. (2) Block: 500 / 568 (2) 226 eigenvectors found. (2) Block: 568 / 568 (2) 56 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 542 eigenvectors found. (1) Complementary block size: 82 (1) Compute compressed projector. (1) Use standard solver. (1) 54 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7224, 7099), data: False |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 54), data: (1568, 82) @ (82, 54) |-- (568, 542), data: False |-- (568, 36), data: (568, 62) @ (62, 36) |-- (68, 56), data: True |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 472), data: False |-- (500, 17), data: (500, 45) @ (45, 17) |-- (250, 224), data: True |-- (250, 231), data: True |-- (500, 472), data: False |-- (500, 22), data: (500, 50) @ (50, 22) |-- (250, 228), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 54), data: (1568, 82) @ (82, 54) |-- (568, 542), data: False |-- (568, 36), data: (568, 62) @ (62, 36) |-- (68, 56), data: True |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 472), data: False |-- (500, 17), data: (500, 45) @ (45, 17) |-- (250, 224), data: True |-- (250, 231), data: True |-- (500, 472), data: False |-- (500, 22), data: (500, 50) @ (50, 22) |-- (250, 228), data: True |-- (250, 222), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.010 Solver_block: 100 / 1680 - Time: 3.059 Solver_block: 200 / 1680 - Time: 2.603 Solver_block: 300 / 1680 - Time: 2.559 Solver_block: 400 / 1680 - Time: 2.512 Solver_block: 500 / 1680 - Time: 2.579 Solver_block: 600 / 1680 - Time: 2.844 Solver_block: 700 / 1680 - Time: 2.740 Solver_block: 800 / 1680 - Time: 2.647 Solver_block: 900 / 1680 - Time: 2.957 Solver_block: 1000 / 1680 - Time: 2.755 Solver_block: 1100 / 1680 - Time: 2.773 Solver_block: 1200 / 1680 - Time: 2.603 Solver_block: 1300 / 1680 - Time: 2.687 Solver_block: 1400 / 1680 - Time: 2.787 Solver_block: 1500 / 1680 - Time: 2.802 Solver_block: 1600 / 1680 - Time: 2.736 Solver_block: 1680 / 1680 - Time: 2.191 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 47.622 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7224 Number of blocks in projector: 7224 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 45 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 224 eigenvectors found. (2) Block: 500 / 568 (2) 226 eigenvectors found. (2) Block: 568 / 568 (2) 56 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 542 eigenvectors found. (1) Complementary block size: 82 (1) Compute compressed projector. (1) Use standard solver. (1) 54 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 45 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 224 eigenvectors found. (2) Block: 500 / 568 (2) 226 eigenvectors found. (2) Block: 568 / 568 (2) 56 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 542 eigenvectors found. (1) Complementary block size: 82 (1) Compute compressed projector. (1) Use standard solver. (1) 54 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7224, 7099), data: False |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 54), data: (1568, 82) @ (82, 54) |-- (568, 542), data: False |-- (568, 36), data: (568, 62) @ (62, 36) |-- (68, 56), data: True |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 472), data: False |-- (500, 17), data: (500, 45) @ (45, 17) |-- (250, 224), data: True |-- (250, 231), data: True |-- (500, 472), data: False |-- (500, 22), data: (500, 50) @ (50, 22) |-- (250, 228), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 54), data: (1568, 82) @ (82, 54) |-- (568, 542), data: False |-- (568, 36), data: (568, 62) @ (62, 36) |-- (68, 56), data: True |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 472), data: False |-- (500, 17), data: (500, 45) @ (45, 17) |-- (250, 224), data: True |-- (250, 231), data: True |-- (500, 472), data: False |-- (500, 22), data: (500, 50) @ (50, 22) |-- (250, 228), data: True |-- (250, 222), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 15:38:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:38:17]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.911799220064438 0.000000000000000 0.000000000000000 b 0.000000000000000 12.017582579999999 0.000000000000000 c -2.592536728514457 0.000000000000000 9.181612920024858 Atomic positions (fractional): 1 Na 0.85036712255014 0.12057848073928 0.61181490117131 22.990 2 Na 0.52840841336025 0.80363445961639 0.82308625476728 22.990 3 Na 0.47159158663975 0.30363445961639 0.67691374523272 22.990 4 Na 0.85036712255014 0.37942151926072 0.11181490117131 22.990 5 Na 0.47159158663975 0.19636554038361 0.17691374523272 22.990 6 Na 0.14963287744986 0.62057848073928 0.88818509882869 22.990 7 Na 0.14963287744986 0.87942151926072 0.38818509882869 22.990 8 Na 0.52840841336025 0.69636554038361 0.32308625476728 22.990 9 Li 0.25898677722985 0.99604552069111 0.02074492494745 6.941 10 Li 0.72367672102419 0.65312726198385 0.64342765617198 6.941 11 Li 0.31400328649647 0.35181068733753 0.94144198706627 6.941 12 Li 0.68599671350353 0.85181068733753 0.55855801293373 6.941 13 Li 0.02341386063093 0.89780214693917 0.79785192490793 6.941 14 Li 0.97658613936907 0.39780214693917 0.70214807509207 6.941 15 Li 0.25898677722985 0.50395447930889 0.52074492494745 6.941 16 Li 0.74101322277015 0.00395447930889 0.97925507505255 6.941 17 Li 0.27632327897581 0.15312726198386 0.85657234382802 6.941 18 Li 0.97658613936907 0.10219785306083 0.20214807509207 6.941 19 Li 0.72367672102419 0.84687273801615 0.14342765617198 6.941 20 Li 0.31400328649647 0.14818931266247 0.44144198706627 6.941 21 Li 0.02341386063093 0.60219785306083 0.29785192490793 6.941 22 Li 0.27632327897581 0.34687273801614 0.35657234382802 6.941 23 Li 0.74101322277015 0.49604552069112 0.47925507505255 6.941 24 Li 0.68599671350353 0.64818931266247 0.05855801293373 6.941 25 B 0.86069663573322 0.21117042664676 0.92270389606816 10.811 26 B 0.13930336426678 0.71117042664676 0.57729610393184 10.811 27 B 0.86069663573322 0.28882957335324 0.42270389606816 10.811 28 B 0.45496046834988 0.47720379293782 0.21975632288728 10.811 29 B 0.45496046834988 0.02279620706218 0.71975632288728 10.811 30 B 0.54503953165012 0.97720379293782 0.28024367711272 10.811 31 B 0.13930336426678 0.78882957335324 0.07729610393184 10.811 32 B 0.54503953165012 0.52279620706218 0.78024367711272 10.811 33 O 0.36170044754661 0.50791559082621 0.34095176449120 15.999 34 O 0.66631354476329 0.61535519205699 0.85907576952768 15.999 35 O 0.96686059291577 0.23467263346396 0.31916835934855 15.999 36 O 0.39403405229221 0.75865717041163 0.05309813208619 15.999 37 O 0.97614392129757 0.87411520052751 0.99654411941441 15.999 38 O 0.63829955245339 0.00791559082621 0.15904823550880 15.999 39 O 0.32311598679977 0.46495181825776 0.80781444588259 15.999 40 O 0.63829955245339 0.49208440917379 0.65904823550880 15.999 41 O 0.96686059291577 0.26532736653604 0.81916835934855 15.999 42 O 0.32311598679977 0.03504818174224 0.30781444588259 15.999 43 O 0.03313940708423 0.73467263346396 0.18083164065145 15.999 44 O 0.02385607870243 0.12588479947249 0.00345588058559 15.999 45 O 0.97614392129757 0.62588479947249 0.49654411941441 15.999 46 O 0.60596594770779 0.25865717041163 0.44690186791381 15.999 47 O 0.03313940708423 0.76532736653604 0.68083164065145 15.999 48 O 0.66631354476329 0.88464480794301 0.35907576952768 15.999 49 O 0.36170044754661 0.99208440917379 0.84095176449120 15.999 50 O 0.39403405229221 0.74134282958837 0.55309813208619 15.999 51 O 0.02385607870243 0.37411520052751 0.50345588058559 15.999 52 O 0.33368645523671 0.11535519205699 0.64092423047232 15.999 53 O 0.67688401320023 0.96495181825776 0.69218555411741 15.999 54 O 0.33368645523671 0.38464480794301 0.14092423047232 15.999 55 O 0.60596594770779 0.24134282958837 0.94690186791381 15.999 56 O 0.67688401320023 0.53504818174224 0.19218555411741 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.823598440128876 0.000000000000000 0.000000000000000 b 0.000000000000000 12.017582579999999 0.000000000000000 c -2.592536728514457 0.000000000000000 9.181612920024858 Atomic positions (fractional): 1 Na 0.42518356127507 0.12057848073928 0.61181490117131 22.990 > 1 2 Na 0.92518356127507 0.12057848073928 0.61181490117131 22.990 > 1 3 Na 0.26420420668013 0.80363445961639 0.82308625476728 22.990 > 3 4 Na 0.76420420668013 0.80363445961639 0.82308625476728 22.990 > 3 5 Na 0.23579579331987 0.30363445961639 0.67691374523272 22.990 > 5 6 Na 0.73579579331987 0.30363445961639 0.67691374523272 22.990 > 5 7 Na 0.42518356127507 0.37942151926072 0.11181490117131 22.990 > 7 8 Na 0.92518356127507 0.37942151926072 0.11181490117131 22.990 > 7 9 Na 0.23579579331987 0.19636554038361 0.17691374523272 22.990 > 9 10 Na 0.73579579331987 0.19636554038361 0.17691374523272 22.990 > 9 11 Na 0.07481643872493 0.62057848073928 0.88818509882869 22.990 > 11 12 Na 0.57481643872493 0.62057848073928 0.88818509882869 22.990 > 11 13 Na 0.07481643872493 0.87942151926072 0.38818509882869 22.990 > 13 14 Na 0.57481643872493 0.87942151926072 0.38818509882869 22.990 > 13 15 Na 0.26420420668013 0.69636554038361 0.32308625476728 22.990 > 15 16 Na 0.76420420668013 0.69636554038361 0.32308625476728 22.990 > 15 17 Li 0.12949338861492 0.99604552069111 0.02074492494745 6.941 > 17 18 Li 0.62949338861492 0.99604552069111 0.02074492494745 6.941 > 17 19 Li 0.36183836051210 0.65312726198385 0.64342765617198 6.941 > 19 20 Li 0.86183836051210 0.65312726198385 0.64342765617198 6.941 > 19 21 Li 0.15700164324823 0.35181068733753 0.94144198706627 6.941 > 21 22 Li 0.65700164324823 0.35181068733753 0.94144198706627 6.941 > 21 23 Li 0.34299835675177 0.85181068733753 0.55855801293373 6.941 > 23 24 Li 0.84299835675177 0.85181068733753 0.55855801293373 6.941 > 23 25 Li 0.01170693031546 0.89780214693917 0.79785192490793 6.941 > 25 26 Li 0.51170693031546 0.89780214693917 0.79785192490793 6.941 > 25 27 Li 0.48829306968454 0.39780214693917 0.70214807509207 6.941 > 27 28 Li 0.98829306968454 0.39780214693917 0.70214807509207 6.941 > 27 29 Li 0.12949338861492 0.50395447930889 0.52074492494745 6.941 > 29 30 Li 0.62949338861492 0.50395447930889 0.52074492494745 6.941 > 29 31 Li 0.37050661138508 0.00395447930889 0.97925507505255 6.941 > 31 32 Li 0.87050661138508 0.00395447930889 0.97925507505255 6.941 > 31 33 Li 0.13816163948790 0.15312726198386 0.85657234382802 6.941 > 33 34 Li 0.63816163948790 0.15312726198386 0.85657234382802 6.941 > 33 35 Li 0.48829306968454 0.10219785306083 0.20214807509207 6.941 > 35 36 Li 0.98829306968454 0.10219785306083 0.20214807509207 6.941 > 35 37 Li 0.36183836051210 0.84687273801615 0.14342765617198 6.941 > 37 38 Li 0.86183836051210 0.84687273801615 0.14342765617198 6.941 > 37 39 Li 0.15700164324823 0.14818931266247 0.44144198706627 6.941 > 39 40 Li 0.65700164324823 0.14818931266247 0.44144198706627 6.941 > 39 41 Li 0.01170693031546 0.60219785306083 0.29785192490793 6.941 > 41 42 Li 0.51170693031546 0.60219785306083 0.29785192490793 6.941 > 41 43 Li 0.13816163948790 0.34687273801614 0.35657234382802 6.941 > 43 44 Li 0.63816163948790 0.34687273801614 0.35657234382802 6.941 > 43 45 Li 0.37050661138508 0.49604552069112 0.47925507505255 6.941 > 45 46 Li 0.87050661138508 0.49604552069112 0.47925507505255 6.941 > 45 47 Li 0.34299835675177 0.64818931266247 0.05855801293373 6.941 > 47 48 Li 0.84299835675177 0.64818931266247 0.05855801293373 6.941 > 47 49 B 0.43034831786661 0.21117042664676 0.92270389606816 10.811 > 49 50 B 0.93034831786661 0.21117042664676 0.92270389606816 10.811 > 49 51 B 0.06965168213339 0.71117042664676 0.57729610393184 10.811 > 51 52 B 0.56965168213339 0.71117042664676 0.57729610393184 10.811 > 51 53 B 0.43034831786661 0.28882957335324 0.42270389606816 10.811 > 53 54 B 0.93034831786661 0.28882957335324 0.42270389606816 10.811 > 53 55 B 0.22748023417494 0.47720379293782 0.21975632288728 10.811 > 55 56 B 0.72748023417494 0.47720379293782 0.21975632288728 10.811 > 55 57 B 0.22748023417494 0.02279620706218 0.71975632288728 10.811 > 57 58 B 0.72748023417494 0.02279620706218 0.71975632288728 10.811 > 57 59 B 0.27251976582506 0.97720379293782 0.28024367711272 10.811 > 59 60 B 0.77251976582506 0.97720379293782 0.28024367711272 10.811 > 59 61 B 0.06965168213339 0.78882957335324 0.07729610393184 10.811 > 61 62 B 0.56965168213339 0.78882957335324 0.07729610393184 10.811 > 61 63 B 0.27251976582506 0.52279620706218 0.78024367711272 10.811 > 63 64 B 0.77251976582506 0.52279620706218 0.78024367711272 10.811 > 63 65 O 0.18085022377330 0.50791559082621 0.34095176449120 15.999 > 65 66 O 0.68085022377330 0.50791559082621 0.34095176449120 15.999 > 65 67 O 0.33315677238164 0.61535519205699 0.85907576952768 15.999 > 67 68 O 0.83315677238164 0.61535519205699 0.85907576952768 15.999 > 67 69 O 0.48343029645789 0.23467263346396 0.31916835934855 15.999 > 69 70 O 0.98343029645789 0.23467263346396 0.31916835934855 15.999 > 69 71 O 0.19701702614610 0.75865717041163 0.05309813208619 15.999 > 71 72 O 0.69701702614610 0.75865717041163 0.05309813208619 15.999 > 71 73 O 0.48807196064879 0.87411520052751 0.99654411941441 15.999 > 73 74 O 0.98807196064879 0.87411520052751 0.99654411941441 15.999 > 73 75 O 0.31914977622670 0.00791559082621 0.15904823550880 15.999 > 75 76 O 0.81914977622670 0.00791559082621 0.15904823550880 15.999 > 75 77 O 0.16155799339989 0.46495181825776 0.80781444588259 15.999 > 77 78 O 0.66155799339989 0.46495181825776 0.80781444588259 15.999 > 77 79 O 0.31914977622670 0.49208440917379 0.65904823550880 15.999 > 79 80 O 0.81914977622670 0.49208440917379 0.65904823550880 15.999 > 79 81 O 0.48343029645789 0.26532736653604 0.81916835934855 15.999 > 81 82 O 0.98343029645789 0.26532736653604 0.81916835934855 15.999 > 81 83 O 0.16155799339989 0.03504818174224 0.30781444588259 15.999 > 83 84 O 0.66155799339989 0.03504818174224 0.30781444588259 15.999 > 83 85 O 0.01656970354211 0.73467263346396 0.18083164065145 15.999 > 85 86 O 0.51656970354211 0.73467263346396 0.18083164065145 15.999 > 85 87 O 0.01192803935121 0.12588479947249 0.00345588058559 15.999 > 87 88 O 0.51192803935121 0.12588479947249 0.00345588058559 15.999 > 87 89 O 0.48807196064879 0.62588479947249 0.49654411941441 15.999 > 89 90 O 0.98807196064879 0.62588479947249 0.49654411941441 15.999 > 89 91 O 0.30298297385390 0.25865717041163 0.44690186791381 15.999 > 91 92 O 0.80298297385390 0.25865717041163 0.44690186791381 15.999 > 91 93 O 0.01656970354211 0.76532736653604 0.68083164065145 15.999 > 93 94 O 0.51656970354211 0.76532736653604 0.68083164065145 15.999 > 93 95 O 0.33315677238164 0.88464480794301 0.35907576952768 15.999 > 95 96 O 0.83315677238164 0.88464480794301 0.35907576952768 15.999 > 95 97 O 0.18085022377330 0.99208440917379 0.84095176449120 15.999 > 97 98 O 0.68085022377330 0.99208440917379 0.84095176449120 15.999 > 97 99 O 0.19701702614610 0.74134282958837 0.55309813208619 15.999 > 99 100 O 0.69701702614610 0.74134282958837 0.55309813208619 15.999 > 99 101 O 0.01192803935121 0.37411520052751 0.50345588058559 15.999 > 101 102 O 0.51192803935121 0.37411520052751 0.50345588058559 15.999 > 101 103 O 0.16684322761835 0.11535519205699 0.64092423047232 15.999 > 103 104 O 0.66684322761836 0.11535519205699 0.64092423047232 15.999 > 103 105 O 0.33844200660011 0.96495181825776 0.69218555411741 15.999 > 105 106 O 0.83844200660011 0.96495181825776 0.69218555411741 15.999 > 105 107 O 0.16684322761835 0.38464480794301 0.14092423047232 15.999 > 107 108 O 0.66684322761836 0.38464480794301 0.14092423047232 15.999 > 107 109 O 0.30298297385390 0.24134282958837 0.94690186791381 15.999 > 109 110 O 0.80298297385390 0.24134282958837 0.94690186791381 15.999 > 109 111 O 0.33844200660011 0.53504818174224 0.19218555411741 15.999 > 111 112 O 0.83844200660011 0.53504818174224 0.19218555411741 15.999 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6278087 0.0000000 -0.0732596 0.0000000 2.5674675 0.0000000 -0.0732599 0.0000000 2.5652633 -------------------------- Born effective charges -------------------------- 1 Na 1.0562366 0.0643369 -0.0084566 0.0278389 1.0075012 -0.0563861 0.0198514 -0.0081627 1.0974200 2 Na 1.0103012 0.0480399 0.0112577 -0.0095733 1.0906364 0.0283648 0.0283409 0.0677132 1.0846281 3 Na 1.0103012 -0.0480399 0.0112577 0.0095733 1.0906364 -0.0283648 0.0283409 -0.0677132 1.0846281 4 Na 1.0562366 -0.0643369 -0.0084566 -0.0278389 1.0075012 0.0563861 0.0198514 0.0081627 1.0974200 5 Na 1.0103012 0.0480399 0.0112577 -0.0095733 1.0906364 0.0283648 0.0283409 0.0677132 1.0846281 6 Na 1.0562366 -0.0643369 -0.0084566 -0.0278389 1.0075012 0.0563861 0.0198514 0.0081627 1.0974200 7 Na 1.0562366 0.0643369 -0.0084566 0.0278389 1.0075012 -0.0563861 0.0198514 -0.0081627 1.0974200 8 Na 1.0103012 -0.0480399 0.0112577 0.0095733 1.0906364 -0.0283648 0.0283409 -0.0677132 1.0846281 9 Li 0.9693693 -0.0074938 -0.0230862 -0.0216991 1.0277872 -0.0117334 -0.0036582 -0.0316596 1.0739723 10 Li 1.0841197 0.0080207 -0.0746886 0.0927396 0.9114865 -0.0992997 -0.0932071 -0.1090183 0.8551732 11 Li 0.9659386 0.0203908 0.0177653 0.0238102 1.0362473 0.0302099 -0.0335818 -0.0225899 1.0105697 12 Li 0.9659386 -0.0203908 0.0177653 -0.0238102 1.0362473 -0.0302099 -0.0335818 0.0225899 1.0105697 13 Li 1.0325155 -0.0298126 0.0663520 -0.0002758 1.0145714 0.0303756 -0.0179561 0.0885544 0.9995881 14 Li 1.0325155 0.0298126 0.0663520 0.0002758 1.0145714 -0.0303756 -0.0179561 -0.0885544 0.9995881 15 Li 0.9693693 0.0074938 -0.0230862 0.0216991 1.0277872 0.0117334 -0.0036582 0.0316596 1.0739723 16 Li 0.9693693 -0.0074938 -0.0230862 -0.0216991 1.0277872 -0.0117334 -0.0036582 -0.0316596 1.0739723 17 Li 1.0841197 -0.0080207 -0.0746886 -0.0927396 0.9114865 0.0992997 -0.0932071 0.1090183 0.8551732 18 Li 1.0325155 -0.0298126 0.0663520 -0.0002758 1.0145714 0.0303756 -0.0179561 0.0885544 0.9995881 19 Li 1.0841197 -0.0080207 -0.0746886 -0.0927396 0.9114865 0.0992997 -0.0932071 0.1090183 0.8551732 20 Li 0.9659386 -0.0203908 0.0177653 -0.0238102 1.0362473 -0.0302099 -0.0335818 0.0225899 1.0105697 21 Li 1.0325155 0.0298126 0.0663520 0.0002758 1.0145714 -0.0303756 -0.0179561 -0.0885544 0.9995881 22 Li 1.0841197 0.0080207 -0.0746886 0.0927396 0.9114865 -0.0992997 -0.0932071 -0.1090183 0.8551732 23 Li 0.9693693 0.0074938 -0.0230862 0.0216991 1.0277872 0.0117334 -0.0036582 0.0316596 1.0739723 24 Li 0.9659386 0.0203908 0.0177653 0.0238102 1.0362473 0.0302099 -0.0335818 -0.0225899 1.0105697 25 B 2.3941315 -0.3595139 -0.4258877 -0.3476555 1.5387919 -0.8899755 -0.4348129 -0.8809451 1.4261303 26 B 2.3941315 0.3595139 -0.4258877 0.3476555 1.5387919 0.8899755 -0.4348129 0.8809451 1.4261303 27 B 2.3941315 0.3595139 -0.4258877 0.3476555 1.5387919 0.8899755 -0.4348129 0.8809451 1.4261303 28 B 1.8486678 0.6615970 -0.6598453 0.6985405 1.7839713 0.7231594 -0.6729617 0.6636066 1.6641022 29 B 1.8486678 -0.6615970 -0.6598453 -0.6985405 1.7839713 -0.7231594 -0.6729617 -0.6636066 1.6641022 30 B 1.8486678 -0.6615970 -0.6598453 -0.6985405 1.7839713 -0.7231594 -0.6729617 -0.6636066 1.6641022 31 B 2.3941315 -0.3595139 -0.4258877 -0.3476555 1.5387919 -0.8899755 -0.4348129 -0.8809451 1.4261303 32 B 1.8486678 0.6615970 -0.6598453 0.6985405 1.7839713 0.7231594 -0.6729617 0.6636066 1.6641022 33 O -1.6300017 0.1325043 0.5306019 0.0877949 -1.3604898 -0.2528348 0.5212610 -0.2267758 -1.8495724 34 O -1.3151719 -0.2474196 0.0003940 -0.2693938 -1.8004555 -0.5339077 0.0020112 -0.4708790 -1.6471650 35 O -1.6801149 0.2629706 0.3832332 0.2052871 -1.4981332 -0.4090819 0.3757531 -0.4563734 -1.6253497 36 O -2.2681030 0.3113224 0.1559069 0.3000774 -1.3678842 -0.0145511 0.1907203 -0.0035073 -1.2352584 37 O -1.5632096 0.3031277 -0.1205971 0.3468112 -1.8038175 0.4863394 -0.1118675 0.4718063 -1.5140302 38 O -1.6300017 -0.1325043 0.5306019 -0.0877949 -1.3604898 0.2528348 0.5212610 0.2267758 -1.8495724 39 O -1.9046790 -0.5300524 0.1470504 -0.5458717 -1.5802130 0.0625598 0.2301074 0.1531915 -1.3402082 40 O -1.6300017 0.1325043 0.5306019 0.0877949 -1.3604898 -0.2528348 0.5212610 -0.2267758 -1.8495724 41 O -1.6801149 -0.2629706 0.3832332 -0.2052871 -1.4981332 0.4090819 0.3757531 0.4563734 -1.6253497 42 O -1.9046790 0.5300524 0.1470504 0.5458717 -1.5802130 -0.0625598 0.2301074 -0.1531915 -1.3402082 43 O -1.6801149 -0.2629706 0.3832332 -0.2052871 -1.4981332 0.4090819 0.3757531 0.4563734 -1.6253497 44 O -1.5632096 0.3031277 -0.1205971 0.3468112 -1.8038175 0.4863394 -0.1118675 0.4718063 -1.5140302 45 O -1.5632096 -0.3031277 -0.1205971 -0.3468112 -1.8038175 -0.4863394 -0.1118675 -0.4718063 -1.5140302 46 O -2.2681030 -0.3113224 0.1559069 -0.3000774 -1.3678842 0.0145511 0.1907203 0.0035073 -1.2352584 47 O -1.6801149 0.2629706 0.3832332 0.2052871 -1.4981332 -0.4090819 0.3757531 -0.4563734 -1.6253497 48 O -1.3151719 0.2474196 0.0003940 0.2693938 -1.8004555 0.5339077 0.0020112 0.4708790 -1.6471650 49 O -1.6300017 -0.1325043 0.5306019 -0.0877949 -1.3604898 0.2528348 0.5212610 0.2267758 -1.8495724 50 O -2.2681030 -0.3113224 0.1559069 -0.3000774 -1.3678842 0.0145511 0.1907203 0.0035073 -1.2352584 51 O -1.5632096 -0.3031277 -0.1205971 -0.3468112 -1.8038175 -0.4863394 -0.1118675 -0.4718063 -1.5140302 52 O -1.3151719 0.2474196 0.0003940 0.2693938 -1.8004555 0.5339077 0.0020112 0.4708790 -1.6471650 53 O -1.9046790 0.5300524 0.1470504 0.5458717 -1.5802130 -0.0625598 0.2301074 -0.1531915 -1.3402082 54 O -1.3151719 -0.2474196 0.0003940 -0.2693938 -1.8004555 -0.5339077 0.0020112 -0.4708790 -1.6471650 55 O -2.2681030 0.3113224 0.1559069 0.3000774 -1.3678842 -0.0145511 0.1907203 -0.0035073 -1.2352584 56 O -1.9046790 -0.5300524 0.1470504 -0.5458717 -1.5802130 0.0625598 0.2301074 0.1531915 -1.3402082 ---------------------------------------------------------------------------- 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 21, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 25, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 55, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 67, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 71, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 73, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zxz) -0.00000000 (zxz) -0.00000000 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:39:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:39:24]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.911799220064438 0.000000000000000 0.000000000000000 b 0.000000000000000 12.017582579999999 0.000000000000000 c -2.592536728514457 0.000000000000000 9.181612920024858 Atomic positions (fractional): 1 Na 0.85036712255014 0.12057848073928 0.61181490117131 22.990 2 Na 0.52840841336025 0.80363445961639 0.82308625476728 22.990 3 Na 0.47159158663975 0.30363445961639 0.67691374523272 22.990 4 Na 0.85036712255014 0.37942151926072 0.11181490117131 22.990 5 Na 0.47159158663975 0.19636554038361 0.17691374523272 22.990 6 Na 0.14963287744986 0.62057848073928 0.88818509882869 22.990 7 Na 0.14963287744986 0.87942151926072 0.38818509882869 22.990 8 Na 0.52840841336025 0.69636554038361 0.32308625476728 22.990 9 Li 0.25898677722985 0.99604552069111 0.02074492494745 6.941 10 Li 0.72367672102419 0.65312726198385 0.64342765617198 6.941 11 Li 0.31400328649647 0.35181068733753 0.94144198706627 6.941 12 Li 0.68599671350353 0.85181068733753 0.55855801293373 6.941 13 Li 0.02341386063093 0.89780214693917 0.79785192490793 6.941 14 Li 0.97658613936907 0.39780214693917 0.70214807509207 6.941 15 Li 0.25898677722985 0.50395447930889 0.52074492494745 6.941 16 Li 0.74101322277015 0.00395447930889 0.97925507505255 6.941 17 Li 0.27632327897581 0.15312726198386 0.85657234382802 6.941 18 Li 0.97658613936907 0.10219785306083 0.20214807509207 6.941 19 Li 0.72367672102419 0.84687273801615 0.14342765617198 6.941 20 Li 0.31400328649647 0.14818931266247 0.44144198706627 6.941 21 Li 0.02341386063093 0.60219785306083 0.29785192490793 6.941 22 Li 0.27632327897581 0.34687273801614 0.35657234382802 6.941 23 Li 0.74101322277015 0.49604552069112 0.47925507505255 6.941 24 Li 0.68599671350353 0.64818931266247 0.05855801293373 6.941 25 B 0.86069663573322 0.21117042664676 0.92270389606816 10.811 26 B 0.13930336426678 0.71117042664676 0.57729610393184 10.811 27 B 0.86069663573322 0.28882957335324 0.42270389606816 10.811 28 B 0.45496046834988 0.47720379293782 0.21975632288728 10.811 29 B 0.45496046834988 0.02279620706218 0.71975632288728 10.811 30 B 0.54503953165012 0.97720379293782 0.28024367711272 10.811 31 B 0.13930336426678 0.78882957335324 0.07729610393184 10.811 32 B 0.54503953165012 0.52279620706218 0.78024367711272 10.811 33 O 0.36170044754661 0.50791559082621 0.34095176449120 15.999 34 O 0.66631354476329 0.61535519205699 0.85907576952768 15.999 35 O 0.96686059291577 0.23467263346396 0.31916835934855 15.999 36 O 0.39403405229221 0.75865717041163 0.05309813208619 15.999 37 O 0.97614392129757 0.87411520052751 0.99654411941441 15.999 38 O 0.63829955245339 0.00791559082621 0.15904823550880 15.999 39 O 0.32311598679977 0.46495181825776 0.80781444588259 15.999 40 O 0.63829955245339 0.49208440917379 0.65904823550880 15.999 41 O 0.96686059291577 0.26532736653604 0.81916835934855 15.999 42 O 0.32311598679977 0.03504818174224 0.30781444588259 15.999 43 O 0.03313940708423 0.73467263346396 0.18083164065145 15.999 44 O 0.02385607870243 0.12588479947249 0.00345588058559 15.999 45 O 0.97614392129757 0.62588479947249 0.49654411941441 15.999 46 O 0.60596594770779 0.25865717041163 0.44690186791381 15.999 47 O 0.03313940708423 0.76532736653604 0.68083164065145 15.999 48 O 0.66631354476329 0.88464480794301 0.35907576952768 15.999 49 O 0.36170044754661 0.99208440917379 0.84095176449120 15.999 50 O 0.39403405229221 0.74134282958837 0.55309813208619 15.999 51 O 0.02385607870243 0.37411520052751 0.50345588058559 15.999 52 O 0.33368645523671 0.11535519205699 0.64092423047232 15.999 53 O 0.67688401320023 0.96495181825776 0.69218555411741 15.999 54 O 0.33368645523671 0.38464480794301 0.14092423047232 15.999 55 O 0.60596594770779 0.24134282958837 0.94690186791381 15.999 56 O 0.67688401320023 0.53504818174224 0.19218555411741 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.823598440128876 0.000000000000000 0.000000000000000 b 0.000000000000000 12.017582579999999 0.000000000000000 c -2.592536728514457 0.000000000000000 9.181612920024858 Atomic positions (fractional): 1 Na 0.42518356127507 0.12057848073928 0.61181490117131 22.990 > 1 2 Na 0.92518356127507 0.12057848073928 0.61181490117131 22.990 > 1 3 Na 0.26420420668013 0.80363445961639 0.82308625476728 22.990 > 3 4 Na 0.76420420668013 0.80363445961639 0.82308625476728 22.990 > 3 5 Na 0.23579579331987 0.30363445961639 0.67691374523272 22.990 > 5 6 Na 0.73579579331987 0.30363445961639 0.67691374523272 22.990 > 5 7 Na 0.42518356127507 0.37942151926072 0.11181490117131 22.990 > 7 8 Na 0.92518356127507 0.37942151926072 0.11181490117131 22.990 > 7 9 Na 0.23579579331987 0.19636554038361 0.17691374523272 22.990 > 9 10 Na 0.73579579331987 0.19636554038361 0.17691374523272 22.990 > 9 11 Na 0.07481643872493 0.62057848073928 0.88818509882869 22.990 > 11 12 Na 0.57481643872493 0.62057848073928 0.88818509882869 22.990 > 11 13 Na 0.07481643872493 0.87942151926072 0.38818509882869 22.990 > 13 14 Na 0.57481643872493 0.87942151926072 0.38818509882869 22.990 > 13 15 Na 0.26420420668013 0.69636554038361 0.32308625476728 22.990 > 15 16 Na 0.76420420668013 0.69636554038361 0.32308625476728 22.990 > 15 17 Li 0.12949338861492 0.99604552069111 0.02074492494745 6.941 > 17 18 Li 0.62949338861492 0.99604552069111 0.02074492494745 6.941 > 17 19 Li 0.36183836051210 0.65312726198385 0.64342765617198 6.941 > 19 20 Li 0.86183836051210 0.65312726198385 0.64342765617198 6.941 > 19 21 Li 0.15700164324823 0.35181068733753 0.94144198706627 6.941 > 21 22 Li 0.65700164324823 0.35181068733753 0.94144198706627 6.941 > 21 23 Li 0.34299835675177 0.85181068733753 0.55855801293373 6.941 > 23 24 Li 0.84299835675177 0.85181068733753 0.55855801293373 6.941 > 23 25 Li 0.01170693031546 0.89780214693917 0.79785192490793 6.941 > 25 26 Li 0.51170693031546 0.89780214693917 0.79785192490793 6.941 > 25 27 Li 0.48829306968454 0.39780214693917 0.70214807509207 6.941 > 27 28 Li 0.98829306968454 0.39780214693917 0.70214807509207 6.941 > 27 29 Li 0.12949338861492 0.50395447930889 0.52074492494745 6.941 > 29 30 Li 0.62949338861492 0.50395447930889 0.52074492494745 6.941 > 29 31 Li 0.37050661138508 0.00395447930889 0.97925507505255 6.941 > 31 32 Li 0.87050661138508 0.00395447930889 0.97925507505255 6.941 > 31 33 Li 0.13816163948790 0.15312726198386 0.85657234382802 6.941 > 33 34 Li 0.63816163948790 0.15312726198386 0.85657234382802 6.941 > 33 35 Li 0.48829306968454 0.10219785306083 0.20214807509207 6.941 > 35 36 Li 0.98829306968454 0.10219785306083 0.20214807509207 6.941 > 35 37 Li 0.36183836051210 0.84687273801615 0.14342765617198 6.941 > 37 38 Li 0.86183836051210 0.84687273801615 0.14342765617198 6.941 > 37 39 Li 0.15700164324823 0.14818931266247 0.44144198706627 6.941 > 39 40 Li 0.65700164324823 0.14818931266247 0.44144198706627 6.941 > 39 41 Li 0.01170693031546 0.60219785306083 0.29785192490793 6.941 > 41 42 Li 0.51170693031546 0.60219785306083 0.29785192490793 6.941 > 41 43 Li 0.13816163948790 0.34687273801614 0.35657234382802 6.941 > 43 44 Li 0.63816163948790 0.34687273801614 0.35657234382802 6.941 > 43 45 Li 0.37050661138508 0.49604552069112 0.47925507505255 6.941 > 45 46 Li 0.87050661138508 0.49604552069112 0.47925507505255 6.941 > 45 47 Li 0.34299835675177 0.64818931266247 0.05855801293373 6.941 > 47 48 Li 0.84299835675177 0.64818931266247 0.05855801293373 6.941 > 47 49 B 0.43034831786661 0.21117042664676 0.92270389606816 10.811 > 49 50 B 0.93034831786661 0.21117042664676 0.92270389606816 10.811 > 49 51 B 0.06965168213339 0.71117042664676 0.57729610393184 10.811 > 51 52 B 0.56965168213339 0.71117042664676 0.57729610393184 10.811 > 51 53 B 0.43034831786661 0.28882957335324 0.42270389606816 10.811 > 53 54 B 0.93034831786661 0.28882957335324 0.42270389606816 10.811 > 53 55 B 0.22748023417494 0.47720379293782 0.21975632288728 10.811 > 55 56 B 0.72748023417494 0.47720379293782 0.21975632288728 10.811 > 55 57 B 0.22748023417494 0.02279620706218 0.71975632288728 10.811 > 57 58 B 0.72748023417494 0.02279620706218 0.71975632288728 10.811 > 57 59 B 0.27251976582506 0.97720379293782 0.28024367711272 10.811 > 59 60 B 0.77251976582506 0.97720379293782 0.28024367711272 10.811 > 59 61 B 0.06965168213339 0.78882957335324 0.07729610393184 10.811 > 61 62 B 0.56965168213339 0.78882957335324 0.07729610393184 10.811 > 61 63 B 0.27251976582506 0.52279620706218 0.78024367711272 10.811 > 63 64 B 0.77251976582506 0.52279620706218 0.78024367711272 10.811 > 63 65 O 0.18085022377330 0.50791559082621 0.34095176449120 15.999 > 65 66 O 0.68085022377330 0.50791559082621 0.34095176449120 15.999 > 65 67 O 0.33315677238164 0.61535519205699 0.85907576952768 15.999 > 67 68 O 0.83315677238164 0.61535519205699 0.85907576952768 15.999 > 67 69 O 0.48343029645789 0.23467263346396 0.31916835934855 15.999 > 69 70 O 0.98343029645789 0.23467263346396 0.31916835934855 15.999 > 69 71 O 0.19701702614610 0.75865717041163 0.05309813208619 15.999 > 71 72 O 0.69701702614610 0.75865717041163 0.05309813208619 15.999 > 71 73 O 0.48807196064879 0.87411520052751 0.99654411941441 15.999 > 73 74 O 0.98807196064879 0.87411520052751 0.99654411941441 15.999 > 73 75 O 0.31914977622670 0.00791559082621 0.15904823550880 15.999 > 75 76 O 0.81914977622670 0.00791559082621 0.15904823550880 15.999 > 75 77 O 0.16155799339989 0.46495181825776 0.80781444588259 15.999 > 77 78 O 0.66155799339989 0.46495181825776 0.80781444588259 15.999 > 77 79 O 0.31914977622670 0.49208440917379 0.65904823550880 15.999 > 79 80 O 0.81914977622670 0.49208440917379 0.65904823550880 15.999 > 79 81 O 0.48343029645789 0.26532736653604 0.81916835934855 15.999 > 81 82 O 0.98343029645789 0.26532736653604 0.81916835934855 15.999 > 81 83 O 0.16155799339989 0.03504818174224 0.30781444588259 15.999 > 83 84 O 0.66155799339989 0.03504818174224 0.30781444588259 15.999 > 83 85 O 0.01656970354211 0.73467263346396 0.18083164065145 15.999 > 85 86 O 0.51656970354211 0.73467263346396 0.18083164065145 15.999 > 85 87 O 0.01192803935121 0.12588479947249 0.00345588058559 15.999 > 87 88 O 0.51192803935121 0.12588479947249 0.00345588058559 15.999 > 87 89 O 0.48807196064879 0.62588479947249 0.49654411941441 15.999 > 89 90 O 0.98807196064879 0.62588479947249 0.49654411941441 15.999 > 89 91 O 0.30298297385390 0.25865717041163 0.44690186791381 15.999 > 91 92 O 0.80298297385390 0.25865717041163 0.44690186791381 15.999 > 91 93 O 0.01656970354211 0.76532736653604 0.68083164065145 15.999 > 93 94 O 0.51656970354211 0.76532736653604 0.68083164065145 15.999 > 93 95 O 0.33315677238164 0.88464480794301 0.35907576952768 15.999 > 95 96 O 0.83315677238164 0.88464480794301 0.35907576952768 15.999 > 95 97 O 0.18085022377330 0.99208440917379 0.84095176449120 15.999 > 97 98 O 0.68085022377330 0.99208440917379 0.84095176449120 15.999 > 97 99 O 0.19701702614610 0.74134282958837 0.55309813208619 15.999 > 99 100 O 0.69701702614610 0.74134282958837 0.55309813208619 15.999 > 99 101 O 0.01192803935121 0.37411520052751 0.50345588058559 15.999 > 101 102 O 0.51192803935121 0.37411520052751 0.50345588058559 15.999 > 101 103 O 0.16684322761835 0.11535519205699 0.64092423047232 15.999 > 103 104 O 0.66684322761836 0.11535519205699 0.64092423047232 15.999 > 103 105 O 0.33844200660011 0.96495181825776 0.69218555411741 15.999 > 105 106 O 0.83844200660011 0.96495181825776 0.69218555411741 15.999 > 105 107 O 0.16684322761835 0.38464480794301 0.14092423047232 15.999 > 107 108 O 0.66684322761836 0.38464480794301 0.14092423047232 15.999 > 107 109 O 0.30298297385390 0.24134282958837 0.94690186791381 15.999 > 109 110 O 0.80298297385390 0.24134282958837 0.94690186791381 15.999 > 109 111 O 0.33844200660011 0.53504818174224 0.19218555411741 15.999 > 111 112 O 0.83844200660011 0.53504818174224 0.19218555411741 15.999 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6278087 0.0000000 -0.0732596 0.0000000 2.5674675 0.0000000 -0.0732599 0.0000000 2.5652633 -------------------------- Born effective charges -------------------------- 1 Na 1.0562366 0.0643369 -0.0084566 0.0278389 1.0075012 -0.0563861 0.0198514 -0.0081627 1.0974200 2 Na 1.0103012 0.0480399 0.0112577 -0.0095733 1.0906364 0.0283648 0.0283409 0.0677132 1.0846281 3 Na 1.0103012 -0.0480399 0.0112577 0.0095733 1.0906364 -0.0283648 0.0283409 -0.0677132 1.0846281 4 Na 1.0562366 -0.0643369 -0.0084566 -0.0278389 1.0075012 0.0563861 0.0198514 0.0081627 1.0974200 5 Na 1.0103012 0.0480399 0.0112577 -0.0095733 1.0906364 0.0283648 0.0283409 0.0677132 1.0846281 6 Na 1.0562366 -0.0643369 -0.0084566 -0.0278389 1.0075012 0.0563861 0.0198514 0.0081627 1.0974200 7 Na 1.0562366 0.0643369 -0.0084566 0.0278389 1.0075012 -0.0563861 0.0198514 -0.0081627 1.0974200 8 Na 1.0103012 -0.0480399 0.0112577 0.0095733 1.0906364 -0.0283648 0.0283409 -0.0677132 1.0846281 9 Li 0.9693693 -0.0074938 -0.0230862 -0.0216991 1.0277872 -0.0117334 -0.0036582 -0.0316596 1.0739723 10 Li 1.0841197 0.0080207 -0.0746886 0.0927396 0.9114865 -0.0992997 -0.0932071 -0.1090183 0.8551732 11 Li 0.9659386 0.0203908 0.0177653 0.0238102 1.0362473 0.0302099 -0.0335818 -0.0225899 1.0105697 12 Li 0.9659386 -0.0203908 0.0177653 -0.0238102 1.0362473 -0.0302099 -0.0335818 0.0225899 1.0105697 13 Li 1.0325155 -0.0298126 0.0663520 -0.0002758 1.0145714 0.0303756 -0.0179561 0.0885544 0.9995881 14 Li 1.0325155 0.0298126 0.0663520 0.0002758 1.0145714 -0.0303756 -0.0179561 -0.0885544 0.9995881 15 Li 0.9693693 0.0074938 -0.0230862 0.0216991 1.0277872 0.0117334 -0.0036582 0.0316596 1.0739723 16 Li 0.9693693 -0.0074938 -0.0230862 -0.0216991 1.0277872 -0.0117334 -0.0036582 -0.0316596 1.0739723 17 Li 1.0841197 -0.0080207 -0.0746886 -0.0927396 0.9114865 0.0992997 -0.0932071 0.1090183 0.8551732 18 Li 1.0325155 -0.0298126 0.0663520 -0.0002758 1.0145714 0.0303756 -0.0179561 0.0885544 0.9995881 19 Li 1.0841197 -0.0080207 -0.0746886 -0.0927396 0.9114865 0.0992997 -0.0932071 0.1090183 0.8551732 20 Li 0.9659386 -0.0203908 0.0177653 -0.0238102 1.0362473 -0.0302099 -0.0335818 0.0225899 1.0105697 21 Li 1.0325155 0.0298126 0.0663520 0.0002758 1.0145714 -0.0303756 -0.0179561 -0.0885544 0.9995881 22 Li 1.0841197 0.0080207 -0.0746886 0.0927396 0.9114865 -0.0992997 -0.0932071 -0.1090183 0.8551732 23 Li 0.9693693 0.0074938 -0.0230862 0.0216991 1.0277872 0.0117334 -0.0036582 0.0316596 1.0739723 24 Li 0.9659386 0.0203908 0.0177653 0.0238102 1.0362473 0.0302099 -0.0335818 -0.0225899 1.0105697 25 B 2.3941315 -0.3595139 -0.4258877 -0.3476555 1.5387919 -0.8899755 -0.4348129 -0.8809451 1.4261303 26 B 2.3941315 0.3595139 -0.4258877 0.3476555 1.5387919 0.8899755 -0.4348129 0.8809451 1.4261303 27 B 2.3941315 0.3595139 -0.4258877 0.3476555 1.5387919 0.8899755 -0.4348129 0.8809451 1.4261303 28 B 1.8486678 0.6615970 -0.6598453 0.6985405 1.7839713 0.7231594 -0.6729617 0.6636066 1.6641022 29 B 1.8486678 -0.6615970 -0.6598453 -0.6985405 1.7839713 -0.7231594 -0.6729617 -0.6636066 1.6641022 30 B 1.8486678 -0.6615970 -0.6598453 -0.6985405 1.7839713 -0.7231594 -0.6729617 -0.6636066 1.6641022 31 B 2.3941315 -0.3595139 -0.4258877 -0.3476555 1.5387919 -0.8899755 -0.4348129 -0.8809451 1.4261303 32 B 1.8486678 0.6615970 -0.6598453 0.6985405 1.7839713 0.7231594 -0.6729617 0.6636066 1.6641022 33 O -1.6300017 0.1325043 0.5306019 0.0877949 -1.3604898 -0.2528348 0.5212610 -0.2267758 -1.8495724 34 O -1.3151719 -0.2474196 0.0003940 -0.2693938 -1.8004555 -0.5339077 0.0020112 -0.4708790 -1.6471650 35 O -1.6801149 0.2629706 0.3832332 0.2052871 -1.4981332 -0.4090819 0.3757531 -0.4563734 -1.6253497 36 O -2.2681030 0.3113224 0.1559069 0.3000774 -1.3678842 -0.0145511 0.1907203 -0.0035073 -1.2352584 37 O -1.5632096 0.3031277 -0.1205971 0.3468112 -1.8038175 0.4863394 -0.1118675 0.4718063 -1.5140302 38 O -1.6300017 -0.1325043 0.5306019 -0.0877949 -1.3604898 0.2528348 0.5212610 0.2267758 -1.8495724 39 O -1.9046790 -0.5300524 0.1470504 -0.5458717 -1.5802130 0.0625598 0.2301074 0.1531915 -1.3402082 40 O -1.6300017 0.1325043 0.5306019 0.0877949 -1.3604898 -0.2528348 0.5212610 -0.2267758 -1.8495724 41 O -1.6801149 -0.2629706 0.3832332 -0.2052871 -1.4981332 0.4090819 0.3757531 0.4563734 -1.6253497 42 O -1.9046790 0.5300524 0.1470504 0.5458717 -1.5802130 -0.0625598 0.2301074 -0.1531915 -1.3402082 43 O -1.6801149 -0.2629706 0.3832332 -0.2052871 -1.4981332 0.4090819 0.3757531 0.4563734 -1.6253497 44 O -1.5632096 0.3031277 -0.1205971 0.3468112 -1.8038175 0.4863394 -0.1118675 0.4718063 -1.5140302 45 O -1.5632096 -0.3031277 -0.1205971 -0.3468112 -1.8038175 -0.4863394 -0.1118675 -0.4718063 -1.5140302 46 O -2.2681030 -0.3113224 0.1559069 -0.3000774 -1.3678842 0.0145511 0.1907203 0.0035073 -1.2352584 47 O -1.6801149 0.2629706 0.3832332 0.2052871 -1.4981332 -0.4090819 0.3757531 -0.4563734 -1.6253497 48 O -1.3151719 0.2474196 0.0003940 0.2693938 -1.8004555 0.5339077 0.0020112 0.4708790 -1.6471650 49 O -1.6300017 -0.1325043 0.5306019 -0.0877949 -1.3604898 0.2528348 0.5212610 0.2267758 -1.8495724 50 O -2.2681030 -0.3113224 0.1559069 -0.3000774 -1.3678842 0.0145511 0.1907203 0.0035073 -1.2352584 51 O -1.5632096 -0.3031277 -0.1205971 -0.3468112 -1.8038175 -0.4863394 -0.1118675 -0.4718063 -1.5140302 52 O -1.3151719 0.2474196 0.0003940 0.2693938 -1.8004555 0.5339077 0.0020112 0.4708790 -1.6471650 53 O -1.9046790 0.5300524 0.1470504 0.5458717 -1.5802130 -0.0625598 0.2301074 -0.1531915 -1.3402082 54 O -1.3151719 -0.2474196 0.0003940 -0.2693938 -1.8004555 -0.5339077 0.0020112 -0.4708790 -1.6471650 55 O -2.2681030 0.3113224 0.1559069 0.3000774 -1.3678842 -0.0145511 0.1907203 -0.0035073 -1.2352584 56 O -1.9046790 -0.5300524 0.1470504 -0.5458717 -1.5802130 0.0625598 0.2301074 0.1531915 -1.3402082 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zxz) -0.00000000 (zxz) -0.00000000 (zzx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 4 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.51, Number of G-points: 303, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.060 ( 0.000 0.000 0.000) 0.000 2.909 ( 0.000 0.000 0.000) 0.000 2.914 ( 0.000 0.000 0.000) 0.000 2.962 ( 0.000 0.000 0.000) 0.000 3.185 ( 0.000 0.000 0.000) 0.000 3.311 ( 0.000 0.000 0.000) 0.000 3.445 ( 0.000 0.000 0.000) 0.000 3.655 ( 0.000 0.000 0.000) 0.000 3.749 ( 0.000 0.000 0.000) 0.000 3.796 ( 0.000 0.000 0.000) 0.000 3.935 ( 0.000 0.000 0.000) 0.000 3.985 ( 0.000 0.000 0.000) 0.000 4.300 ( 0.000 0.000 0.000) 0.000 4.301 ( 0.000 0.000 0.000) 0.000 4.519 ( 0.000 0.000 0.000) 0.000 4.597 ( 0.000 0.000 0.000) 0.000 4.646 ( 0.000 0.000 0.000) 0.000 4.695 ( 0.000 0.000 0.000) 0.000 4.778 ( 0.000 0.000 0.000) 0.000 4.891 ( 0.000 0.000 0.000) 0.000 4.903 ( 0.000 0.000 0.000) 0.000 5.044 ( 0.000 0.000 0.000) 0.000 5.215 ( 0.000 0.000 0.000) 0.000 5.391 ( 0.000 0.000 0.000) 0.000 5.411 ( 0.000 0.000 0.000) 0.000 5.506 ( 0.000 0.000 0.000) 0.000 5.566 ( 0.000 0.000 0.000) 0.000 5.650 ( 0.000 0.000 0.000) 0.000 5.659 ( 0.000 0.000 0.000) 0.000 5.679 ( 0.000 0.000 0.000) 0.000 5.832 ( 0.000 0.000 0.000) 0.000 5.883 ( 0.000 0.000 0.000) 0.000 5.902 ( 0.000 0.000 0.000) 0.000 6.071 ( 0.000 0.000 0.000) 0.000 6.172 ( 0.000 0.000 0.000) 0.000 6.181 ( 0.000 0.000 0.000) 0.000 6.263 ( 0.000 0.000 0.000) 0.000 6.263 ( 0.000 0.000 0.000) 0.000 6.305 ( 0.000 0.000 0.000) 0.000 6.512 ( 0.000 0.000 0.000) 0.000 6.628 ( 0.000 0.000 0.000) 0.000 6.720 ( 0.000 0.000 0.000) 0.000 6.769 ( 0.000 0.000 0.000) 0.000 7.161 ( 0.000 0.000 0.000) 0.000 7.183 ( 0.000 0.000 0.000) 0.000 7.240 ( 0.000 0.000 0.000) 0.000 7.341 ( 0.000 0.000 0.000) 0.000 7.456 ( 0.000 0.000 0.000) 0.000 7.459 ( 0.000 0.000 0.000) 0.000 7.626 ( 0.000 0.000 0.000) 0.000 7.701 ( 0.000 0.000 0.000) 0.000 7.721 ( 0.000 0.000 0.000) 0.000 7.938 ( 0.000 0.000 0.000) 0.000 7.949 ( 0.000 0.000 0.000) 0.000 7.970 ( 0.000 0.000 0.000) 0.000 8.202 ( 0.000 0.000 0.000) 0.000 8.233 ( 0.000 0.000 0.000) 0.000 8.249 ( 0.000 0.000 0.000) 0.000 8.260 ( 0.000 0.000 0.000) 0.000 8.441 ( 0.000 0.000 0.000) 0.000 8.627 ( 0.000 0.000 0.000) 0.000 8.879 ( 0.000 0.000 0.000) 0.000 8.961 ( 0.000 0.000 0.000) 0.000 8.992 ( 0.000 0.000 0.000) 0.000 9.017 ( 0.000 0.000 0.000) 0.000 9.044 ( 0.000 0.000 0.000) 0.000 9.117 ( 0.000 0.000 0.000) 0.000 9.432 ( 0.000 0.000 0.000) 0.000 9.491 ( 0.000 0.000 0.000) 0.000 9.752 ( 0.000 0.000 0.000) 0.000 9.801 ( 0.000 0.000 0.000) 0.000 9.905 ( 0.000 0.000 0.000) 0.000 10.141 ( 0.000 0.000 0.000) 0.000 10.757 ( 0.000 0.000 0.000) 0.000 10.758 ( 0.000 0.000 0.000) 0.000 11.230 ( 0.000 0.000 0.000) 0.000 11.408 ( 0.000 0.000 0.000) 0.000 11.558 ( 0.000 0.000 0.000) 0.000 11.662 ( 0.000 0.000 0.000) 0.000 11.765 ( 0.000 0.000 0.000) 0.000 11.918 ( 0.000 0.000 0.000) 0.000 11.971 ( 0.000 0.000 0.000) 0.000 12.174 ( 0.000 0.000 0.000) 0.000 12.231 ( 0.000 0.000 0.000) 0.000 12.288 ( 0.000 0.000 0.000) 0.000 12.725 ( 0.000 0.000 0.000) 0.000 12.743 ( 0.000 0.000 0.000) 0.000 12.860 ( 0.000 0.000 0.000) 0.000 12.894 ( 0.000 0.000 0.000) 0.000 12.980 ( 0.000 0.000 0.000) 0.000 13.193 ( 0.000 0.000 0.000) 0.000 13.216 ( 0.000 0.000 0.000) 0.000 13.360 ( 0.000 0.000 0.000) 0.000 13.580 ( 0.000 0.000 0.000) 0.000 13.930 ( 0.000 0.000 0.000) 0.000 14.111 ( 0.000 0.000 0.000) 0.000 14.135 ( 0.000 0.000 0.000) 0.000 14.143 ( 0.000 0.000 0.000) 0.000 14.462 ( 0.000 0.000 0.000) 0.000 14.474 ( 0.000 0.000 0.000) 0.000 14.607 ( 0.000 0.000 0.000) 0.000 14.724 ( 0.000 0.000 0.000) 0.000 14.875 ( 0.000 0.000 0.000) 0.000 14.902 ( 0.000 0.000 0.000) 0.000 15.143 ( 0.000 0.000 0.000) 0.000 15.448 ( 0.000 0.000 0.000) 0.000 15.725 ( 0.000 0.000 0.000) 0.000 15.898 ( 0.000 0.000 0.000) 0.000 15.975 ( 0.000 0.000 0.000) 0.000 16.113 ( 0.000 0.000 0.000) 0.000 16.174 ( 0.000 0.000 0.000) 0.000 16.353 ( 0.000 0.000 0.000) 0.000 16.538 ( 0.000 0.000 0.000) 0.000 16.939 ( 0.000 0.000 0.000) 0.000 17.022 ( 0.000 0.000 0.000) 0.000 17.166 ( 0.000 0.000 0.000) 0.000 17.344 ( 0.000 0.000 0.000) 0.000 17.439 ( 0.000 0.000 0.000) 0.000 17.679 ( 0.000 0.000 0.000) 0.000 17.725 ( 0.000 0.000 0.000) 0.000 17.853 ( 0.000 0.000 0.000) 0.000 17.856 ( 0.000 0.000 0.000) 0.000 17.969 ( 0.000 0.000 0.000) 0.000 18.014 ( 0.000 0.000 0.000) 0.000 18.029 ( 0.000 0.000 0.000) 0.000 18.500 ( 0.000 0.000 0.000) 0.000 18.593 ( 0.000 0.000 0.000) 0.000 18.629 ( 0.000 0.000 0.000) 0.000 18.902 ( 0.000 0.000 0.000) 0.000 18.933 ( 0.000 0.000 0.000) 0.000 18.945 ( 0.000 0.000 0.000) 0.000 19.084 ( 0.000 0.000 0.000) 0.000 19.223 ( 0.000 0.000 0.000) 0.000 22.006 ( 0.000 0.000 0.000) 0.000 22.034 ( 0.000 0.000 0.000) 0.000 22.215 ( 0.000 0.000 0.000) 0.000 22.270 ( 0.000 0.000 0.000) 0.000 22.558 ( 0.000 0.000 0.000) 0.000 22.567 ( 0.000 0.000 0.000) 0.000 22.723 ( 0.000 0.000 0.000) 0.000 22.764 ( 0.000 0.000 0.000) 0.000 27.192 ( 0.000 0.000 0.000) 0.000 27.243 ( 0.000 0.000 0.000) 0.000 27.254 ( 0.000 0.000 0.000) 0.000 27.254 ( 0.000 0.000 0.000) 0.000 27.604 ( 0.000 0.000 0.000) 0.000 27.612 ( 0.000 0.000 0.000) 0.000 27.727 ( 0.000 0.000 0.000) 0.000 27.728 ( 0.000 0.000 0.000) 0.000 35.587 ( 0.000 0.000 0.000) 0.000 35.657 ( 0.000 0.000 0.000) 0.000 35.855 ( 0.000 0.000 0.000) 0.000 36.102 ( 0.000 0.000 0.000) 0.000 36.131 ( 0.000 0.000 0.000) 0.000 36.628 ( 0.000 0.000 0.000) 0.000 37.160 ( 0.000 0.000 0.000) 0.000 37.428 ( 0.000 0.000 0.000) 0.000 37.664 ( 0.000 0.000 0.000) 0.000 37.670 ( 0.000 0.000 0.000) 0.000 37.894 ( 0.000 0.000 0.000) 0.000 38.148 ( 0.000 0.000 0.000) 0.000 38.577 ( 0.000 0.000 0.000) 0.000 38.917 ( 0.000 0.000 0.000) 0.000 39.436 ( 0.000 0.000 0.000) 0.000 39.942 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 31.946 0.000 16.599) 36.001 0.787 ( 42.479 0.000 -2.897) 42.578 1.388 ( 72.200 0.000 1.680) 72.220 2.162 ( 8.376 0.000 6.890) 10.845 2.818 ( -7.883 0.000 1.453) 8.016 2.901 ( -2.761 0.000 4.615) 5.378 2.930 ( -3.140 0.000 -0.197) 3.146 3.232 ( 4.744 0.000 -7.018) 8.471 3.351 ( 4.494 0.000 -1.283) 4.674 3.521 ( 7.490 0.000 -2.155) 7.794 3.654 ( 0.171 0.000 3.795) 3.798 3.793 ( 0.750 0.000 -9.098) 9.129 3.846 ( 4.413 0.000 2.014) 4.851 4.005 ( 6.756 0.000 1.407) 6.901 4.032 ( 5.122 0.000 5.289) 7.362 4.229 ( -5.804 0.000 3.977) 7.036 4.341 ( 3.508 0.000 2.382) 4.240 4.486 ( -2.804 0.000 1.748) 3.304 4.639 ( 5.432 0.000 -12.161) 13.319 4.658 ( 3.227 0.000 -7.058) 7.761 4.783 ( 5.856 0.000 5.866) 8.288 4.819 ( 7.152 0.000 -1.807) 7.377 4.909 ( 0.397 0.000 0.644) 0.757 5.009 ( -0.238 0.000 -3.887) 3.894 5.121 ( 7.551 0.000 -2.085) 7.834 5.175 ( -5.371 0.000 7.402) 9.146 5.299 ( -3.484 0.000 -1.951) 3.993 5.386 ( -1.833 0.000 7.227) 7.455 5.417 ( -6.925 0.000 -2.195) 7.264 5.550 ( -6.321 0.000 -2.553) 6.817 5.635 ( -2.774 0.000 -0.757) 2.875 5.749 ( -3.255 0.000 1.432) 3.556 5.776 ( 3.550 0.000 -1.834) 3.995 5.818 ( -1.291 0.000 0.077) 1.293 5.950 ( 1.502 0.000 1.286) 1.977 6.021 ( 9.426 0.000 -7.789) 12.228 6.025 ( -2.144 0.000 -4.232) 4.744 6.101 ( 0.025 0.000 -0.847) 0.847 6.184 ( -2.140 0.000 7.726) 8.017 6.316 ( 0.308 0.000 0.170) 0.352 6.355 ( 5.026 0.000 0.365) 5.039 6.448 ( 5.870 0.000 3.754) 6.968 6.604 ( 9.086 0.000 4.446) 10.116 6.623 ( -2.651 0.000 9.550) 9.912 6.768 ( 0.335 0.000 2.998) 3.016 6.897 ( 10.476 0.000 -0.804) 10.506 7.055 ( -4.710 0.000 -1.086) 4.833 7.108 ( -4.372 0.000 1.671) 4.680 7.306 ( -6.718 0.000 1.634) 6.914 7.387 ( 7.808 0.000 4.483) 9.004 7.474 ( 1.464 0.000 -0.330) 1.500 7.501 ( -10.172 0.000 3.714) 10.829 7.594 ( -2.364 0.000 -4.165) 4.789 7.725 ( 6.275 0.000 -5.491) 8.339 7.789 ( 1.579 0.000 8.116) 8.268 7.925 ( -0.494 0.000 -6.155) 6.175 7.997 ( 0.738 0.000 9.659) 9.687 8.100 ( -5.687 0.000 3.278) 6.564 8.134 ( -6.715 0.000 0.471) 6.732 8.151 ( -7.820 0.000 7.773) 11.026 8.288 ( 3.974 0.000 -8.955) 9.797 8.305 ( 2.917 0.000 -4.404) 5.282 8.444 ( 1.395 0.000 -3.359) 3.637 8.604 ( -2.634 0.000 -1.213) 2.900 8.854 ( -3.937 0.000 0.398) 3.957 8.939 ( -0.386 0.000 -2.188) 2.222 8.973 ( -0.419 0.000 -1.346) 1.410 9.036 ( -1.660 0.000 3.372) 3.759 9.044 ( 2.491 0.000 -1.216) 2.772 9.154 ( 3.564 0.000 -0.268) 3.574 9.455 ( 1.313 0.000 3.232) 3.488 9.490 ( 0.648 0.000 -2.865) 2.938 9.736 ( -2.122 0.000 1.809) 2.788 9.836 ( -4.030 0.000 -5.907) 7.151 9.918 ( -1.599 0.000 -1.533) 2.216 10.080 ( -4.624 0.000 -3.851) 6.017 10.855 ( 9.251 0.000 0.105) 9.252 10.917 ( 12.394 0.000 -9.767) 15.780 11.249 ( 1.344 0.000 2.714) 3.029 11.390 ( -0.572 0.000 -1.408) 1.520 11.673 ( -0.774 0.000 -0.332) 0.842 11.690 ( -6.772 0.000 5.402) 8.663 11.910 ( 0.968 0.000 8.773) 8.826 11.932 ( -1.879 0.000 -0.044) 1.879 11.932 ( -1.472 0.000 2.146) 2.603 12.184 ( 0.826 0.000 -2.862) 2.979 12.248 ( 0.832 0.000 1.974) 2.142 12.275 ( -1.026 0.000 -1.163) 1.551 12.723 ( -0.251 0.000 0.252) 0.356 12.825 ( -1.800 0.000 -1.926) 2.636 12.858 ( -1.261 0.000 -0.340) 1.306 12.883 ( -0.917 0.000 0.751) 1.185 13.022 ( 4.645 0.000 -2.294) 5.180 13.167 ( 0.434 0.000 -4.652) 4.673 13.299 ( 5.040 0.000 4.285) 6.615 13.398 ( 1.912 0.000 4.699) 5.073 13.589 ( 0.917 0.000 0.009) 0.917 13.993 ( -3.760 0.000 0.380) 3.779 14.044 ( -7.231 0.000 -0.322) 7.238 14.155 ( 4.300 0.000 -4.442) 6.182 14.195 ( 1.010 0.000 0.842) 1.314 14.399 ( -2.185 0.000 -3.066) 3.765 14.541 ( 4.383 0.000 -0.563) 4.419 14.743 ( 2.724 0.000 -3.491) 4.427 14.881 ( 0.161 0.000 3.141) 3.145 14.979 ( 7.757 0.000 -1.281) 7.862 15.178 ( 4.651 0.000 -3.052) 5.563 15.462 ( -1.012 0.000 10.741) 10.789 15.570 ( -3.244 0.000 -4.012) 5.159 15.879 ( -2.916 0.000 0.486) 2.956 15.955 ( -0.685 0.000 -3.185) 3.257 16.024 ( -7.652 0.000 -0.169) 7.654 16.121 ( -4.351 0.000 -4.781) 6.464 16.326 ( -3.988 0.000 2.285) 4.596 16.480 ( -6.188 0.000 13.377) 14.739 16.840 ( -7.106 0.000 3.700) 8.012 16.946 ( -1.658 0.000 3.859) 4.200 17.049 ( -7.989 0.000 -1.336) 8.100 17.292 ( -6.952 0.000 -4.291) 8.170 17.342 ( -2.515 0.000 -17.327) 17.508 17.518 ( 10.642 0.000 1.333) 10.726 17.748 ( -0.702 0.000 7.075) 7.110 17.757 ( 2.062 0.000 3.741) 4.272 17.793 ( -0.092 0.000 -7.889) 7.889 17.941 ( 2.024 0.000 -1.638) 2.604 17.972 ( 3.153 0.000 -5.164) 6.050 18.050 ( 0.933 0.000 3.974) 4.082 18.060 ( 2.798 0.000 3.657) 4.605 18.469 ( -3.307 0.000 -0.247) 3.316 18.569 ( -12.715 0.000 -1.565) 12.811 18.589 ( -2.185 0.000 -0.314) 2.207 18.800 ( -8.508 0.000 -3.046) 9.037 18.901 ( -1.376 0.000 -4.026) 4.255 18.937 ( -1.918 0.000 4.586) 4.971 19.155 ( 6.073 0.000 -6.824) 9.135 19.198 ( -2.258 0.000 -0.516) 2.316 22.006 ( -0.109 0.000 0.384) 0.400 22.032 ( -0.038 0.000 -0.411) 0.413 22.248 ( -1.968 0.000 -0.709) 2.092 22.467 ( -8.022 0.000 14.129) 16.248 22.568 ( 0.702 0.000 -0.532) 0.881 22.662 ( -2.868 0.000 17.004) 17.244 22.712 ( -1.009 0.000 -0.674) 1.213 22.753 ( -0.784 0.000 -1.570) 1.755 27.200 ( 1.016 0.000 -1.035) 1.450 27.248 ( 1.014 0.000 -2.001) 2.243 27.254 ( 0.244 0.000 1.002) 1.031 27.276 ( 1.641 0.000 0.788) 1.821 27.611 ( 1.063 0.000 -1.054) 1.496 27.613 ( 0.558 0.000 -1.467) 1.570 27.736 ( 0.313 0.000 1.635) 1.665 27.739 ( 0.220 0.000 2.504) 2.513 35.602 ( -0.172 0.000 1.327) 1.338 35.712 ( 4.280 0.000 2.566) 4.991 35.791 ( -6.601 0.000 5.862) 8.828 36.217 ( 8.932 0.000 -5.618) 10.552 36.260 ( 11.198 0.000 -35.087) 36.831 36.586 ( -4.071 0.000 -0.595) 4.115 37.188 ( 2.361 0.000 1.271) 2.681 37.521 ( -4.305 0.000 -2.471) 4.964 37.866 ( 10.182 0.000 4.329) 11.065 37.890 ( -0.059 0.000 -1.889) 1.890 38.245 ( 16.442 0.000 -38.187) 41.576 38.340 ( 15.947 0.000 8.758) 18.194 38.606 ( 5.126 0.000 -6.916) 8.608 38.940 ( 4.203 0.000 -8.327) 9.327 39.398 ( -4.285 0.000 3.758) 5.700 41.315 ( 2.196 0.000 -25.931) 26.024 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 32.216 0.000 15.335) 35.680 1.521 ( 38.222 0.000 -4.716) 38.512 2.356 ( 11.602 0.000 11.298) 16.194 2.667 ( 55.031 0.000 2.335) 55.080 2.704 ( -4.210 0.000 1.919) 4.627 2.853 ( -3.584 0.000 -4.623) 5.850 2.873 ( 0.893 0.000 -0.738) 1.158 3.240 ( 0.217 0.000 -9.119) 9.122 3.459 ( 8.346 0.000 -2.501) 8.713 3.673 ( 9.320 0.000 -0.653) 9.343 3.733 ( -1.539 0.000 -5.250) 5.471 3.740 ( 8.130 0.000 4.255) 9.176 3.907 ( 1.210 0.000 4.715) 4.868 4.095 ( -0.323 0.000 2.584) 2.604 4.220 ( 8.398 0.000 6.960) 10.907 4.224 ( 5.006 0.000 0.861) 5.079 4.405 ( -8.258 0.000 -1.288) 8.358 4.434 ( 5.342 0.000 -1.610) 5.580 4.686 ( 2.501 0.000 -8.280) 8.649 4.706 ( 6.037 0.000 -3.589) 7.023 4.858 ( -6.592 0.000 -6.586) 9.318 4.864 ( -6.414 0.000 4.083) 7.604 4.927 ( 2.410 0.000 13.129) 13.348 5.040 ( 11.759 0.000 -6.097) 13.246 5.083 ( 4.150 0.000 -5.484) 6.877 5.133 ( -0.621 0.000 1.760) 1.866 5.242 ( -3.622 0.000 6.228) 7.205 5.329 ( -1.324 0.000 -1.343) 1.886 5.417 ( -3.063 0.000 -4.366) 5.334 5.516 ( -4.109 0.000 2.348) 4.732 5.621 ( -7.061 0.000 -0.403) 7.072 5.738 ( 15.957 0.000 6.878) 17.376 5.827 ( 5.061 0.000 -2.757) 5.764 5.831 ( -0.795 0.000 3.117) 3.217 5.954 ( -3.551 0.000 -5.437) 6.494 6.033 ( -6.933 0.000 3.899) 7.954 6.051 ( -1.021 0.000 -3.643) 3.783 6.093 ( 9.940 0.000 0.395) 9.948 6.271 ( 7.949 0.000 -6.048) 9.988 6.324 ( 0.881 0.000 1.931) 2.122 6.474 ( 6.319 0.000 1.683) 6.539 6.533 ( 3.986 0.000 -0.179) 3.990 6.710 ( 6.700 0.000 5.294) 8.539 6.718 ( 3.767 0.000 -2.088) 4.307 6.886 ( -5.166 0.000 -1.395) 5.351 6.907 ( 7.653 0.000 8.573) 11.492 7.083 ( -0.098 0.000 0.907) 0.913 7.146 ( 9.687 0.000 -4.862) 10.838 7.173 ( -7.100 0.000 2.857) 7.653 7.270 ( -11.602 0.000 -4.661) 12.503 7.421 ( -2.858 0.000 -6.105) 6.741 7.546 ( 2.039 0.000 10.287) 10.487 7.590 ( 0.675 0.000 1.940) 2.054 7.802 ( -3.050 0.000 2.397) 3.879 7.845 ( 9.865 0.000 -6.595) 11.866 7.888 ( -3.131 0.000 3.400) 4.622 7.970 ( -9.792 0.000 12.440) 15.831 7.977 ( -7.922 0.000 3.170) 8.532 8.074 ( 2.078 0.000 -4.206) 4.692 8.098 ( -0.683 0.000 4.656) 4.706 8.283 ( 0.665 0.000 -9.687) 9.710 8.283 ( -4.108 0.000 -0.670) 4.162 8.488 ( 6.697 0.000 -5.000) 8.357 8.508 ( -7.001 0.000 1.279) 7.117 8.773 ( -3.224 0.000 -0.926) 3.355 8.950 ( 3.077 0.000 -4.084) 5.113 8.965 ( -0.598 0.000 0.074) 0.603 9.025 ( -1.423 0.000 4.362) 4.588 9.094 ( 3.249 0.000 -1.327) 3.510 9.225 ( 4.041 0.000 -1.339) 4.257 9.477 ( 0.202 0.000 -5.924) 5.928 9.509 ( 2.161 0.000 5.183) 5.615 9.703 ( -2.286 0.000 3.043) 3.806 9.723 ( -5.669 0.000 -1.177) 5.790 9.869 ( -3.024 0.000 1.444) 3.351 9.960 ( -5.189 0.000 -5.751) 7.746 11.035 ( 8.146 0.000 -0.257) 8.150 11.130 ( 12.463 0.000 -2.136) 12.645 11.309 ( 2.849 0.000 4.787) 5.571 11.406 ( 3.307 0.000 -0.129) 3.309 11.598 ( -4.322 0.000 -3.751) 5.723 11.612 ( -3.431 0.000 3.941) 5.225 11.901 ( -1.617 0.000 3.390) 3.756 11.925 ( -0.552 0.000 -1.834) 1.915 11.978 ( 1.631 0.000 2.100) 2.659 12.188 ( 2.679 0.000 -1.845) 3.253 12.241 ( -1.455 0.000 -2.655) 3.028 12.268 ( -0.472 0.000 3.869) 3.898 12.724 ( 0.783 0.000 -0.860) 1.163 12.808 ( 0.947 0.000 -1.552) 1.818 12.840 ( 0.154 0.000 -2.869) 2.873 12.874 ( -0.664 0.000 1.176) 1.350 13.118 ( 6.849 0.000 -1.961) 7.125 13.154 ( -0.015 0.000 -3.668) 3.668 13.418 ( 4.995 0.000 2.651) 5.655 13.456 ( 1.355 0.000 4.825) 5.012 13.616 ( 2.259 0.000 0.787) 2.393 13.888 ( -9.149 0.000 0.114) 9.149 13.928 ( -3.483 0.000 0.796) 3.573 14.062 ( -11.819 0.000 -6.634) 13.553 14.213 ( 3.539 0.000 -0.243) 3.548 14.434 ( 3.407 0.000 4.362) 5.535 14.624 ( 5.124 0.000 -1.550) 5.353 14.762 ( 0.937 0.000 -4.454) 4.552 14.907 ( 1.677 0.000 -0.464) 1.740 15.146 ( 9.019 0.000 2.247) 9.295 15.263 ( 6.122 0.000 -6.448) 8.891 15.452 ( -7.766 0.000 -0.207) 7.768 15.541 ( 1.237 0.000 17.639) 17.682 15.742 ( -11.130 0.000 1.564) 11.239 15.913 ( -5.227 0.000 -3.463) 6.270 15.942 ( -0.380 0.000 -1.492) 1.540 15.987 ( -3.802 0.000 -6.159) 7.238 16.207 ( -10.630 0.000 3.815) 11.293 16.392 ( -9.401 0.000 8.626) 12.759 16.703 ( -8.005 0.000 -1.511) 8.146 16.893 ( -6.038 0.000 -4.637) 7.613 16.916 ( -3.901 0.000 4.487) 5.946 17.192 ( -3.342 0.000 -15.017) 15.384 17.216 ( -0.041 0.000 -0.932) 0.933 17.673 ( 4.165 0.000 -0.071) 4.165 17.732 ( -1.697 0.000 0.943) 1.942 17.767 ( -0.590 0.000 0.979) 1.143 17.806 ( 1.630 0.000 -0.484) 1.700 17.935 ( -1.001 0.000 -3.034) 3.195 18.018 ( 2.813 0.000 -2.803) 3.971 18.067 ( -5.945 0.000 9.400) 11.122 18.129 ( 1.917 0.000 3.101) 3.646 18.305 ( -9.133 0.000 -0.743) 9.163 18.368 ( -8.150 0.000 0.765) 8.186 18.558 ( -3.174 0.000 2.847) 4.263 18.607 ( -8.069 0.000 -4.527) 9.252 18.850 ( -2.791 0.000 -1.889) 3.370 18.902 ( -5.099 0.000 6.279) 8.089 19.157 ( -0.976 0.000 -1.197) 1.545 19.202 ( 2.978 0.000 -7.045) 7.649 22.005 ( -0.207 0.000 0.662) 0.694 22.027 ( -0.250 0.000 -0.693) 0.737 22.198 ( -2.708 0.000 -1.181) 2.954 22.382 ( -6.204 0.000 5.023) 7.982 22.586 ( 0.983 0.000 0.792) 1.262 22.682 ( -1.642 0.000 -1.092) 1.971 22.691 ( -1.415 0.000 8.830) 8.943 22.720 ( -1.569 0.000 -2.502) 2.953 27.212 ( 1.140 0.000 -2.069) 2.362 27.266 ( 2.041 0.000 -2.281) 3.061 27.270 ( 0.803 0.000 1.251) 1.487 27.319 ( 2.073 0.000 1.804) 2.748 27.619 ( 0.995 0.000 -2.008) 2.241 27.631 ( 1.727 0.000 -1.439) 2.248 27.752 ( 0.173 0.000 2.239) 2.246 27.756 ( -0.286 0.000 3.700) 3.711 35.621 ( 1.631 0.000 0.450) 1.692 35.718 ( -4.132 0.000 5.566) 6.932 35.827 ( 6.769 0.000 1.574) 6.950 36.289 ( 6.762 0.000 -18.043) 19.269 36.362 ( 8.996 0.000 -3.987) 9.840 36.488 ( -5.552 0.000 -0.757) 5.604 37.243 ( 1.971 0.000 2.575) 3.243 37.477 ( 0.422 0.000 -3.250) 3.277 37.869 ( -1.437 0.000 -0.405) 1.493 38.100 ( 11.946 0.000 6.320) 13.515 38.389 ( 12.293 0.000 -9.691) 15.654 38.694 ( 9.100 0.000 -10.207) 13.674 38.700 ( 10.680 0.000 12.251) 16.253 38.976 ( 9.309 0.000 -13.374) 16.295 39.374 ( 0.045 0.000 6.864) 6.864 41.191 ( -3.527 0.000 -15.043) 15.451 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 29.078 0.000 12.006) 31.459 2.097 ( 25.223 0.000 -8.156) 26.509 2.570 ( 6.055 0.000 14.644) 15.846 2.724 ( 5.350 0.000 5.161) 7.434 2.763 ( -2.550 0.000 -6.058) 6.573 2.860 ( 1.713 0.000 -0.268) 1.734 3.150 ( -3.321 0.000 -9.419) 9.987 3.462 ( 22.871 0.000 -0.182) 22.872 3.642 ( 12.955 0.000 -3.531) 13.427 3.719 ( 3.124 0.000 -2.593) 4.059 3.848 ( 4.511 0.000 6.234) 7.695 3.930 ( 3.079 0.000 -0.248) 3.089 4.084 ( 12.887 0.000 9.451) 15.981 4.084 ( -3.499 0.000 0.701) 3.568 4.192 ( -5.554 0.000 -3.457) 6.542 4.313 ( 4.722 0.000 -4.577) 6.576 4.317 ( 7.782 0.000 2.219) 8.092 4.560 ( 11.135 0.000 -3.961) 11.818 4.617 ( 0.195 0.000 -10.946) 10.947 4.772 ( -4.968 0.000 3.880) 6.303 4.794 ( 1.620 0.000 0.392) 1.667 4.888 ( 4.994 0.000 3.620) 6.168 4.921 ( -5.469 0.000 8.119) 9.789 5.046 ( 1.644 0.000 -6.928) 7.120 5.178 ( -5.998 0.000 2.805) 6.621 5.249 ( 5.895 0.000 8.066) 9.991 5.306 ( 10.353 0.000 -0.872) 10.390 5.316 ( 3.258 0.000 0.451) 3.289 5.405 ( 1.993 0.000 -5.228) 5.596 5.477 ( 0.367 0.000 -0.865) 0.940 5.560 ( -1.436 0.000 6.509) 6.665 5.690 ( -14.887 0.000 4.749) 15.626 5.808 ( -3.393 0.000 3.788) 5.085 5.877 ( 1.998 0.000 -9.259) 9.472 5.896 ( 0.052 0.000 0.415) 0.418 5.986 ( -3.926 0.000 -3.852) 5.500 6.166 ( 12.297 0.000 -1.455) 12.383 6.291 ( 8.292 0.000 4.325) 9.352 6.337 ( -1.863 0.000 2.033) 2.757 6.376 ( 6.165 0.000 -3.046) 6.876 6.567 ( 1.764 0.000 -1.142) 2.102 6.625 ( 3.419 0.000 0.313) 3.433 6.707 ( -3.146 0.000 -5.736) 6.542 6.788 ( 9.687 0.000 -7.397) 12.189 6.910 ( -2.970 0.000 0.858) 3.091 6.950 ( -6.685 0.000 4.785) 8.221 7.012 ( -4.084 0.000 -1.584) 4.380 7.078 ( -0.257 0.000 -2.618) 2.631 7.192 ( 6.986 0.000 4.149) 8.125 7.296 ( 6.654 0.000 -8.733) 10.979 7.381 ( 0.253 0.000 1.143) 1.171 7.555 ( -5.830 0.000 8.653) 10.434 7.592 ( -0.946 0.000 1.038) 1.404 7.734 ( -4.957 0.000 -0.170) 4.960 7.792 ( -9.304 0.000 10.616) 14.116 7.847 ( -8.494 0.000 9.861) 13.015 7.954 ( 4.392 0.000 -5.031) 6.678 8.025 ( 10.212 0.000 -2.721) 10.568 8.069 ( -3.230 0.000 -3.724) 4.929 8.129 ( 2.192 0.000 1.978) 2.952 8.192 ( -2.541 0.000 -1.429) 2.915 8.263 ( 4.856 0.000 -6.778) 8.338 8.421 ( -2.775 0.000 4.137) 4.981 8.639 ( 11.509 0.000 -3.207) 11.947 8.745 ( 0.196 0.000 1.848) 1.859 8.935 ( -3.087 0.000 1.287) 3.345 9.002 ( 4.974 0.000 -5.065) 7.099 9.040 ( 0.881 0.000 3.552) 3.659 9.121 ( -0.503 0.000 0.708) 0.868 9.266 ( 0.555 0.000 -1.636) 1.728 9.440 ( 0.489 0.000 -9.172) 9.185 9.585 ( 2.160 0.000 6.491) 6.841 9.623 ( -5.393 0.000 2.304) 5.864 9.702 ( 1.007 0.000 1.972) 2.214 9.838 ( -4.436 0.000 -5.814) 7.313 9.839 ( -0.811 0.000 1.401) 1.619 11.096 ( -1.207 0.000 -1.472) 1.904 11.285 ( 2.204 0.000 4.764) 5.249 11.404 ( 5.400 0.000 2.525) 5.961 11.454 ( -0.435 0.000 1.906) 1.955 11.602 ( 8.183 0.000 -2.187) 8.470 11.646 ( 5.886 0.000 1.894) 6.184 11.860 ( -2.677 0.000 -7.753) 8.202 11.913 ( 0.682 0.000 5.085) 5.130 11.999 ( 0.796 0.000 -1.351) 1.568 12.183 ( -2.174 0.000 -3.902) 4.467 12.273 ( -1.464 0.000 5.075) 5.282 12.287 ( 5.824 0.000 0.950) 5.901 12.742 ( 1.812 0.000 -2.842) 3.370 12.825 ( -0.632 0.000 -1.047) 1.223 12.826 ( 0.361 0.000 1.704) 1.742 12.880 ( 1.778 0.000 -0.733) 1.923 13.111 ( -2.621 0.000 -4.626) 5.317 13.251 ( 7.780 0.000 -0.303) 7.786 13.473 ( -3.634 0.000 3.390) 4.970 13.480 ( 0.382 0.000 1.477) 1.525 13.702 ( 5.976 0.000 1.309) 6.118 13.730 ( -7.109 0.000 0.303) 7.115 13.804 ( -9.452 0.000 -5.414) 10.893 13.879 ( -1.179 0.000 -0.877) 1.470 14.291 ( 4.091 0.000 3.787) 5.575 14.482 ( -2.074 0.000 4.615) 5.059 14.686 ( 1.468 0.000 -3.047) 3.382 14.756 ( 2.847 0.000 -3.171) 4.261 14.930 ( 1.854 0.000 -3.554) 4.008 15.255 ( -4.841 0.000 4.168) 6.389 15.301 ( 0.958 0.000 -6.403) 6.474 15.361 ( 3.678 0.000 0.449) 3.705 15.487 ( -13.573 0.000 5.078) 14.492 15.676 ( -13.756 0.000 -9.860) 16.925 15.709 ( 2.154 0.000 8.044) 8.327 15.944 ( -2.457 0.000 -0.390) 2.488 15.946 ( 0.776 0.000 0.913) 1.198 16.038 ( -7.103 0.000 7.184) 10.102 16.265 ( -8.307 0.000 11.370) 14.081 16.535 ( -7.516 0.000 -6.613) 10.012 16.799 ( -1.232 0.000 -6.818) 6.928 16.839 ( -7.339 0.000 5.126) 8.952 17.089 ( -0.255 0.000 -10.957) 10.959 17.235 ( 0.686 0.000 1.318) 1.485 17.669 ( -2.557 0.000 -0.770) 2.670 17.697 ( -3.326 0.000 0.167) 3.330 17.772 ( -0.060 0.000 -0.379) 0.384 17.799 ( -3.320 0.000 -0.306) 3.334 17.879 ( -0.514 0.000 -6.948) 6.967 17.960 ( -4.824 0.000 7.717) 9.100 18.009 ( -2.108 0.000 -4.272) 4.764 18.114 ( -6.072 0.000 -0.080) 6.072 18.245 ( -3.080 0.000 6.872) 7.530 18.280 ( 1.615 0.000 2.876) 3.299 18.495 ( -1.935 0.000 -5.565) 5.892 18.500 ( -4.568 0.000 2.767) 5.341 18.774 ( -4.618 0.000 -0.490) 4.644 18.824 ( -6.210 0.000 5.799) 8.497 19.157 ( 1.261 0.000 -0.767) 1.476 19.200 ( 0.616 0.000 -5.586) 5.620 22.006 ( -0.161 0.000 0.804) 0.820 22.017 ( -0.374 0.000 -0.756) 0.843 22.143 ( -2.378 0.000 -1.268) 2.695 22.298 ( -4.793 0.000 2.178) 5.265 22.610 ( 1.028 0.000 1.097) 1.503 22.643 ( -1.802 0.000 -1.109) 2.116 22.673 ( -1.944 0.000 -2.639) 3.278 22.702 ( -1.314 0.000 5.397) 5.555 27.225 ( 1.443 0.000 -2.162) 2.599 27.292 ( 1.907 0.000 -2.092) 2.831 27.294 ( 0.982 0.000 1.323) 1.648 27.366 ( 1.725 0.000 2.048) 2.678 27.629 ( 1.120 0.000 -1.835) 2.150 27.657 ( 1.830 0.000 -1.547) 2.396 27.763 ( -1.006 0.000 3.409) 3.555 27.764 ( -0.122 0.000 2.035) 2.038 35.662 ( 2.267 0.000 0.818) 2.410 35.699 ( -0.817 0.000 4.085) 4.166 35.969 ( 7.526 0.000 0.809) 7.569 36.316 ( 4.720 0.000 -12.158) 13.042 36.380 ( -5.141 0.000 0.498) 5.165 36.513 ( 8.373 0.000 -2.091) 8.630 37.268 ( -1.522 0.000 3.870) 4.158 37.468 ( 0.009 0.000 -4.464) 4.464 37.844 ( -0.909 0.000 0.295) 0.956 38.350 ( 9.528 0.000 9.373) 13.365 38.580 ( 10.987 0.000 -2.079) 11.182 38.711 ( -3.555 0.000 -6.817) 7.688 38.822 ( 9.681 0.000 -9.185) 13.344 39.273 ( 18.910 0.000 3.488) 19.230 39.463 ( 4.816 0.000 6.306) 7.935 41.046 ( -4.436 0.000 -10.529) 11.425 ======================= Grid point 4 (5/84) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 6.972 0.000 -6.244) 9.359 2.417 ( 7.751 0.000 4.941) 9.192 2.667 ( -4.876 0.000 -5.488) 7.341 2.850 ( 14.571 0.000 6.362) 15.899 2.925 ( 8.878 0.000 8.741) 12.459 2.952 ( 10.740 0.000 8.006) 13.396 3.115 ( 7.607 0.000 -10.965) 13.345 3.709 ( -8.505 0.000 2.334) 8.820 3.734 ( 9.551 0.000 4.539) 10.575 3.781 ( -5.519 0.000 1.760) 5.793 3.837 ( 5.260 0.000 -3.729) 6.448 3.999 ( 8.938 0.000 -0.989) 8.993 4.032 ( -8.509 0.000 2.276) 8.808 4.151 ( 10.777 0.000 0.729) 10.801 4.257 ( 8.991 0.000 -1.585) 9.129 4.381 ( 7.084 0.000 -8.341) 10.943 4.539 ( -1.175 0.000 -1.734) 2.094 4.606 ( 1.624 0.000 -2.831) 3.263 4.674 ( -0.043 0.000 -2.693) 2.693 4.728 ( -4.223 0.000 1.164) 4.380 4.820 ( 6.074 0.000 0.594) 6.103 4.948 ( -3.963 0.000 7.480) 8.465 4.999 ( 7.394 0.000 6.299) 9.714 5.040 ( 1.365 0.000 -3.067) 3.357 5.097 ( -2.802 0.000 1.449) 3.155 5.265 ( -1.073 0.000 -0.586) 1.223 5.313 ( -10.985 0.000 -1.186) 11.049 5.402 ( 0.999 0.000 -1.941) 2.183 5.461 ( 3.033 0.000 8.010) 8.565 5.491 ( 1.575 0.000 -6.504) 6.692 5.548 ( 1.842 0.000 4.761) 5.105 5.691 ( 10.724 0.000 8.647) 13.776 5.784 ( 0.701 0.000 7.606) 7.638 5.860 ( -4.720 0.000 -1.341) 4.907 5.907 ( -0.076 0.000 3.258) 3.259 6.003 ( 13.681 0.000 -10.591) 17.301 6.171 ( -6.001 0.000 -10.710) 12.277 6.285 ( -4.534 0.000 1.261) 4.706 6.397 ( -0.430 0.000 3.914) 3.937 6.406 ( -2.235 0.000 -7.746) 8.061 6.482 ( -7.774 0.000 -6.008) 9.825 6.646 ( -0.238 0.000 -6.694) 6.698 6.683 ( 3.987 0.000 4.698) 6.161 6.832 ( 2.725 0.000 3.126) 4.147 6.878 ( -0.979 0.000 2.496) 2.681 6.932 ( 3.184 0.000 -7.330) 7.992 7.039 ( 0.319 0.000 2.660) 2.679 7.105 ( 7.902 0.000 -3.940) 8.829 7.290 ( -2.786 0.000 -7.728) 8.214 7.293 ( 1.082 0.000 1.239) 1.644 7.427 ( 1.006 0.000 5.820) 5.906 7.468 ( -4.912 0.000 0.754) 4.970 7.602 ( 1.211 0.000 0.957) 1.544 7.616 ( -9.035 0.000 4.676) 10.173 7.689 ( -7.298 0.000 7.376) 10.376 7.772 ( -2.556 0.000 4.559) 5.227 7.962 ( -4.203 0.000 0.004) 4.203 8.045 ( 8.493 0.000 -8.307) 11.880 8.070 ( -2.102 0.000 0.198) 2.111 8.147 ( -0.552 0.000 7.219) 7.240 8.341 ( 4.498 0.000 -4.685) 6.495 8.361 ( 16.838 0.000 -6.441) 18.028 8.423 ( -2.751 0.000 7.842) 8.311 8.833 ( 8.289 0.000 4.123) 9.258 8.853 ( 11.047 0.000 -2.055) 11.236 8.882 ( -1.534 0.000 0.085) 1.536 9.066 ( -1.034 0.000 -0.522) 1.158 9.070 ( 4.776 0.000 -4.863) 6.816 9.119 ( 1.012 0.000 5.092) 5.192 9.233 ( -2.535 0.000 -0.458) 2.576 9.394 ( -0.750 0.000 -10.662) 10.688 9.555 ( -3.137 0.000 3.381) 4.612 9.617 ( -2.450 0.000 4.618) 5.228 9.737 ( -1.213 0.000 0.370) 1.269 9.772 ( 2.891 0.000 -2.716) 3.966 9.850 ( 1.165 0.000 0.362) 1.220 11.018 ( -4.478 0.000 -2.817) 5.291 11.304 ( -1.630 0.000 5.554) 5.788 11.470 ( -0.069 0.000 5.551) 5.551 11.506 ( 4.193 0.000 0.646) 4.243 11.763 ( 8.247 0.000 -0.849) 8.290 11.782 ( -0.416 0.000 -8.598) 8.608 11.796 ( 7.690 0.000 0.385) 7.699 11.971 ( 2.001 0.000 3.703) 4.209 12.017 ( 2.197 0.000 1.712) 2.786 12.121 ( -1.848 0.000 -4.278) 4.660 12.266 ( -1.788 0.000 3.813) 4.211 12.360 ( 1.152 0.000 -0.194) 1.168 12.726 ( -1.785 0.000 -4.582) 4.918 12.833 ( 1.704 0.000 1.172) 2.068 12.844 ( 0.726 0.000 2.921) 3.010 12.939 ( 4.606 0.000 -0.944) 4.702 13.011 ( -4.865 0.000 -4.783) 6.822 13.312 ( -7.200 0.000 -0.027) 7.200 13.411 ( 3.687 0.000 3.415) 5.025 13.462 ( -2.356 0.000 0.297) 2.375 13.558 ( -9.702 0.000 -1.820) 9.871 13.785 ( 1.086 0.000 2.503) 2.728 13.805 ( 7.434 0.000 0.679) 7.465 13.922 ( 6.832 0.000 -2.718) 7.353 14.394 ( -6.839 0.000 -1.974) 7.118 14.412 ( 6.402 0.000 5.959) 8.746 14.686 ( 0.381 0.000 -1.557) 1.603 14.819 ( 3.421 0.000 1.336) 3.672 14.940 ( 1.615 0.000 -4.569) 4.846 15.138 ( -7.078 0.000 2.709) 7.579 15.223 ( -8.142 0.000 -3.268) 8.773 15.252 ( -9.912 0.000 -0.747) 9.940 15.337 ( -16.140 0.000 -7.578) 17.831 15.469 ( 3.951 0.000 0.615) 3.999 15.681 ( -3.814 0.000 -1.087) 3.966 15.867 ( -4.385 0.000 -1.623) 4.676 16.021 ( -0.201 0.000 3.008) 3.015 16.061 ( 6.022 0.000 13.382) 14.675 16.224 ( -5.262 0.000 18.492) 19.226 16.376 ( -3.786 0.000 -12.209) 12.782 16.711 ( -7.533 0.000 1.760) 7.736 16.754 ( 0.111 0.000 -8.185) 8.186 17.054 ( 0.482 0.000 -5.553) 5.574 17.219 ( -3.279 0.000 1.089) 3.456 17.609 ( -3.098 0.000 -0.444) 3.129 17.623 ( -2.939 0.000 -0.257) 2.950 17.731 ( -3.213 0.000 0.987) 3.362 17.759 ( -0.265 0.000 -1.010) 1.044 17.886 ( 5.042 0.000 -10.967) 12.070 17.935 ( -3.993 0.000 1.607) 4.304 17.951 ( -1.878 0.000 8.287) 8.497 18.001 ( -2.889 0.000 -5.891) 6.561 18.275 ( 0.190 0.000 8.932) 8.934 18.321 ( 0.809 0.000 2.487) 2.615 18.426 ( -4.388 0.000 1.777) 4.734 18.443 ( -0.988 0.000 -5.891) 5.974 18.685 ( -4.553 0.000 0.413) 4.571 18.750 ( -4.212 0.000 3.771) 5.653 19.175 ( -0.445 0.000 -3.472) 3.501 19.182 ( 1.419 0.000 -0.238) 1.439 22.007 ( -0.276 0.000 -0.588) 0.650 22.009 ( 0.055 0.000 0.789) 0.791 22.100 ( -1.637 0.000 -1.045) 1.942 22.232 ( -3.117 0.000 0.960) 3.261 22.608 ( -1.391 0.000 -0.694) 1.555 22.626 ( -1.644 0.000 -2.108) 2.673 22.633 ( 0.930 0.000 0.773) 1.209 22.701 ( -1.169 0.000 3.122) 3.333 27.243 ( 1.511 0.000 -1.455) 2.097 27.310 ( 1.023 0.000 -1.547) 1.854 27.318 ( 0.796 0.000 1.065) 1.330 27.400 ( 0.962 0.000 1.523) 1.802 27.639 ( 0.874 0.000 -1.271) 1.542 27.680 ( 1.512 0.000 -1.567) 2.177 27.756 ( -1.330 0.000 2.633) 2.950 27.769 ( -0.209 0.000 1.406) 1.422 35.707 ( 1.928 0.000 0.928) 2.140 35.719 ( 0.851 0.000 2.402) 2.548 36.098 ( 5.563 0.000 0.641) 5.599 36.302 ( -3.400 0.000 0.278) 3.412 36.340 ( 3.839 0.000 -8.353) 9.193 36.656 ( 7.237 0.000 0.747) 7.276 37.227 ( -4.674 0.000 4.030) 6.171 37.413 ( -3.285 0.000 -4.853) 5.860 37.845 ( 0.789 0.000 -0.024) 0.790 38.489 ( -1.164 0.000 9.389) 9.461 38.674 ( 5.766 0.000 -8.515) 10.283 38.753 ( 7.853 0.000 0.060) 7.853 38.940 ( 7.015 0.000 -5.975) 9.215 39.553 ( 8.389 0.000 -2.829) 8.853 39.622 ( 8.707 0.000 11.144) 14.142 40.929 ( -3.175 0.000 -6.516) 7.248 ======================= Grid point 5 (6/84) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( 4.964 0.000 -1.102) 5.085 2.481 ( 0.335 0.000 1.465) 1.502 2.529 ( -6.672 0.000 -3.155) 7.380 2.924 ( 1.146 0.000 -0.421) 1.220 3.130 ( 5.468 0.000 6.255) 8.308 3.225 ( 4.156 0.000 -7.562) 8.629 3.369 ( 19.568 0.000 9.885) 21.923 3.594 ( -1.086 0.000 -0.879) 1.397 3.693 ( -5.482 0.000 2.098) 5.870 3.760 ( -8.536 0.000 -3.380) 9.181 3.896 ( 3.710 0.000 5.324) 6.490 3.924 ( -2.394 0.000 -1.497) 2.823 4.226 ( 11.273 0.000 -2.178) 11.481 4.321 ( 4.927 0.000 0.314) 4.937 4.429 ( -5.192 0.000 -2.756) 5.878 4.442 ( 8.703 0.000 0.253) 8.706 4.500 ( 10.492 0.000 -9.848) 14.390 4.597 ( -3.455 0.000 1.672) 3.839 4.612 ( -2.927 0.000 4.562) 5.420 4.672 ( -4.041 0.000 -2.504) 4.754 4.833 ( -8.723 0.000 5.682) 10.410 4.871 ( 0.720 0.000 1.410) 1.583 5.059 ( 1.120 0.000 -0.857) 1.411 5.075 ( 0.639 0.000 -0.094) 0.646 5.103 ( 1.198 0.000 3.848) 4.030 5.121 ( -6.248 0.000 -1.962) 6.548 5.250 ( -1.380 0.000 2.177) 2.578 5.331 ( -2.120 0.000 -1.830) 2.800 5.417 ( -4.030 0.000 -3.964) 5.652 5.649 ( 2.494 0.000 5.358) 5.910 5.672 ( 7.173 0.000 -1.886) 7.417 5.744 ( 0.218 0.000 -0.757) 0.788 5.857 ( 9.082 0.000 2.711) 9.478 5.913 ( -3.380 0.000 9.776) 10.344 5.975 ( -5.151 0.000 -11.735) 12.815 6.004 ( 6.640 0.000 14.151) 15.631 6.180 ( -2.201 0.000 -6.303) 6.677 6.206 ( -7.508 0.000 -7.042) 10.294 6.228 ( -1.334 0.000 0.425) 1.400 6.359 ( -3.034 0.000 1.663) 3.459 6.376 ( 6.735 0.000 -13.533) 15.116 6.664 ( 1.466 0.000 -0.299) 1.496 6.784 ( 2.795 0.000 5.821) 6.457 6.879 ( -1.632 0.000 -4.915) 5.179 6.880 ( -2.754 0.000 7.188) 7.698 6.916 ( 1.749 0.000 -0.973) 2.002 7.117 ( 7.223 0.000 -1.016) 7.294 7.186 ( -0.773 0.000 -5.342) 5.398 7.236 ( 5.715 0.000 -3.511) 6.707 7.289 ( -1.092 0.000 1.027) 1.499 7.381 ( -6.757 0.000 2.836) 7.329 7.443 ( -1.316 0.000 3.487) 3.727 7.450 ( -7.687 0.000 0.091) 7.688 7.608 ( -0.489 0.000 1.702) 1.771 7.619 ( -2.846 0.000 3.426) 4.454 7.788 ( 0.772 0.000 -0.342) 0.845 7.912 ( -1.243 0.000 -0.010) 1.243 8.051 ( 0.351 0.000 -0.119) 0.370 8.165 ( -0.607 0.000 3.084) 3.144 8.194 ( 11.020 0.000 -7.115) 13.117 8.346 ( -6.819 0.000 2.510) 7.266 8.383 ( -0.686 0.000 3.289) 3.360 8.588 ( 7.187 0.000 -0.700) 7.221 8.874 ( 2.764 0.000 -1.827) 3.313 9.001 ( 3.606 0.000 -1.039) 3.753 9.018 ( -3.353 0.000 1.156) 3.546 9.028 ( 6.761 0.000 4.310) 8.018 9.125 ( 3.834 0.000 -2.765) 4.727 9.190 ( 3.221 0.000 1.502) 3.554 9.200 ( -0.830 0.000 2.121) 2.278 9.290 ( -4.756 0.000 -7.610) 8.974 9.539 ( -0.327 0.000 0.790) 0.855 9.567 ( -2.698 0.000 0.270) 2.712 9.728 ( -0.146 0.000 1.709) 1.715 9.817 ( 1.544 0.000 -0.849) 1.762 9.871 ( 0.759 0.000 -0.058) 0.762 10.940 ( -2.072 0.000 -1.340) 2.467 11.303 ( -0.671 0.000 2.343) 2.437 11.488 ( -0.484 0.000 2.974) 3.013 11.560 ( 1.535 0.000 -0.303) 1.565 11.760 ( 1.111 0.000 -3.944) 4.098 11.868 ( 2.728 0.000 0.400) 2.757 11.895 ( 2.851 0.000 -0.473) 2.890 11.999 ( 0.295 0.000 0.643) 0.707 12.082 ( -0.279 0.000 -2.442) 2.458 12.103 ( 3.277 0.000 4.442) 5.520 12.246 ( -1.405 0.000 0.268) 1.430 12.346 ( -1.282 0.000 -0.155) 1.291 12.661 ( -2.108 0.000 -2.154) 3.014 12.871 ( 1.158 0.000 -0.074) 1.160 12.881 ( 1.550 0.000 1.361) 2.062 12.919 ( -2.215 0.000 -1.665) 2.771 12.997 ( 0.928 0.000 -1.012) 1.373 13.218 ( -0.758 0.000 0.971) 1.232 13.390 ( -6.614 0.000 -0.846) 6.667 13.418 ( -1.685 0.000 -0.218) 1.699 13.497 ( 2.366 0.000 1.953) 3.068 13.804 ( 0.248 0.000 1.089) 1.117 13.960 ( 5.899 0.000 1.448) 6.074 14.025 ( 3.838 0.000 -1.239) 4.033 14.275 ( -2.873 0.000 -3.474) 4.508 14.585 ( 7.784 0.000 5.062) 9.285 14.664 ( -2.222 0.000 0.571) 2.294 14.896 ( 3.715 0.000 2.838) 4.675 14.949 ( 1.361 0.000 -2.237) 2.618 15.013 ( -11.080 0.000 -3.400) 11.590 15.028 ( -7.130 0.000 -2.605) 7.591 15.052 ( -4.444 0.000 -1.136) 4.587 15.136 ( -3.472 0.000 -1.830) 3.925 15.518 ( 0.816 0.000 1.133) 1.396 15.628 ( -1.379 0.000 -0.289) 1.409 15.800 ( -1.618 0.000 -1.156) 1.989 16.029 ( -0.065 0.000 0.841) 0.844 16.217 ( 3.339 0.000 7.108) 7.854 16.235 ( -4.543 0.000 19.386) 19.911 16.279 ( 1.332 0.000 -15.799) 15.855 16.613 ( -2.851 0.000 -0.401) 2.879 16.714 ( -0.207 0.000 -5.132) 5.136 17.039 ( 0.040 0.000 -1.696) 1.696 17.158 ( -2.464 0.000 0.398) 2.496 17.565 ( -1.199 0.000 -0.215) 1.219 17.599 ( -0.160 0.000 -0.100) 0.189 17.692 ( -1.273 0.000 0.401) 1.334 17.759 ( 0.302 0.000 -0.049) 0.306 17.885 ( -1.888 0.000 1.000) 2.136 17.924 ( 3.936 0.000 -8.517) 9.382 17.952 ( -0.281 0.000 -2.707) 2.721 17.958 ( -1.906 0.000 7.234) 7.481 18.331 ( 0.963 0.000 7.867) 7.926 18.335 ( -0.005 0.000 0.780) 0.780 18.370 ( -1.930 0.000 0.496) 1.992 18.390 ( -1.208 0.000 -6.566) 6.676 18.625 ( -1.955 0.000 0.461) 2.009 18.711 ( -1.407 0.000 1.269) 1.894 19.155 ( -0.306 0.000 -1.166) 1.205 19.200 ( 0.537 0.000 -0.041) 0.538 22.001 ( -0.088 0.000 -0.225) 0.242 22.015 ( 0.141 0.000 0.418) 0.441 22.073 ( -0.659 0.000 -0.488) 0.820 22.196 ( -1.097 0.000 0.280) 1.133 22.588 ( -0.454 0.000 0.086) 0.462 22.595 ( -0.718 0.000 -1.125) 1.335 22.650 ( 0.492 0.000 0.204) 0.533 22.695 ( -0.587 0.000 1.105) 1.251 27.260 ( 0.741 0.000 -0.480) 0.883 27.315 ( 0.204 0.000 -0.592) 0.626 27.332 ( 0.308 0.000 0.416) 0.518 27.417 ( 0.276 0.000 0.548) 0.614 27.646 ( 0.331 0.000 -0.458) 0.565 27.695 ( 0.707 0.000 -0.889) 1.136 27.746 ( -0.731 0.000 1.217) 1.420 27.771 ( -0.091 0.000 0.509) 0.517 35.737 ( 0.765 0.000 0.420) 0.873 35.743 ( 0.572 0.000 0.777) 0.965 36.167 ( 1.619 0.000 0.258) 1.639 36.260 ( -1.189 0.000 0.109) 1.194 36.370 ( 2.239 0.000 -3.224) 3.926 36.770 ( 3.651 0.000 1.134) 3.823 37.166 ( -2.752 0.000 1.834) 3.307 37.324 ( -2.835 0.000 -2.562) 3.822 37.861 ( 0.629 0.000 -0.074) 0.633 38.481 ( -1.145 0.000 1.930) 2.244 38.751 ( 3.201 0.000 -1.595) 3.577 38.856 ( 2.848 0.000 0.211) 2.856 39.009 ( 2.527 0.000 -2.048) 3.253 39.636 ( 2.327 0.000 -0.505) 2.381 39.788 ( 3.752 0.000 3.560) 5.172 40.866 ( -1.113 0.000 -2.222) 2.486 ======================= Grid point 11 (7/84) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 0.000 36.321 0.000) 36.321 1.005 ( 0.000 47.169 0.000) 47.169 1.348 ( 0.000 57.251 0.000) 57.251 2.006 ( 0.000 -3.705 0.000) 3.705 2.634 ( 0.000 -29.640 0.000) 29.640 2.811 ( 0.000 -4.127 0.000) 4.127 2.945 ( 0.000 -2.502 0.000) 2.502 3.055 ( 0.000 -11.142 0.000) 11.142 3.213 ( 0.000 -10.067 0.000) 10.067 3.475 ( 0.000 1.925 0.000) 1.925 3.716 ( 0.000 -0.183 0.000) 0.183 3.885 ( 0.000 9.192 0.000) 9.192 3.897 ( 0.000 2.796 0.000) 2.796 3.956 ( 0.000 10.180 0.000) 10.180 3.977 ( 0.000 -3.757 0.000) 3.757 4.182 ( 0.000 -31.548 0.000) 31.548 4.299 ( 0.000 2.155 0.000) 2.155 4.447 ( 0.000 10.189 0.000) 10.189 4.573 ( 0.000 -10.229 0.000) 10.229 4.645 ( 0.000 -1.451 0.000) 1.451 4.684 ( 0.000 2.622 0.000) 2.622 4.723 ( 0.000 3.194 0.000) 3.194 4.839 ( 0.000 -6.066 0.000) 6.066 4.840 ( 0.000 6.204 0.000) 6.204 5.126 ( 0.000 4.851 0.000) 4.851 5.259 ( 0.000 2.708 0.000) 2.708 5.316 ( 0.000 -12.680 0.000) 12.680 5.362 ( 0.000 -13.694 0.000) 13.694 5.449 ( 0.000 3.384 0.000) 3.384 5.535 ( 0.000 -2.960 0.000) 2.960 5.610 ( 0.000 2.982 0.000) 2.982 5.634 ( 0.000 -3.792 0.000) 3.792 5.727 ( 0.000 2.515 0.000) 2.515 5.806 ( 0.000 -4.823 0.000) 4.823 5.876 ( 0.000 -5.176 0.000) 5.176 5.998 ( 0.000 0.731 0.000) 0.731 6.013 ( 0.000 6.750 0.000) 6.750 6.117 ( 0.000 -2.166 0.000) 2.166 6.172 ( 0.000 3.181 0.000) 3.181 6.271 ( 0.000 0.131 0.000) 0.131 6.392 ( 0.000 8.159 0.000) 8.159 6.443 ( 0.000 6.920 0.000) 6.920 6.587 ( 0.000 4.456 0.000) 4.456 6.765 ( 0.000 -0.418 0.000) 0.418 6.805 ( 0.000 4.792 0.000) 4.792 6.924 ( 0.000 16.509 0.000) 16.509 6.976 ( 0.000 -9.018 0.000) 9.018 7.179 ( 0.000 -3.116 0.000) 3.116 7.329 ( 0.000 4.274 0.000) 4.274 7.400 ( 0.000 -3.113 0.000) 3.113 7.484 ( 0.000 7.296 0.000) 7.296 7.549 ( 0.000 4.859 0.000) 4.859 7.639 ( 0.000 -3.770 0.000) 3.770 7.699 ( 0.000 -2.194 0.000) 2.194 7.778 ( 0.000 -2.446 0.000) 2.446 7.819 ( 0.000 -10.103 0.000) 10.103 7.889 ( 0.000 -6.292 0.000) 6.292 7.906 ( 0.000 -3.943 0.000) 3.943 8.178 ( 0.000 1.353 0.000) 1.353 8.214 ( 0.000 2.544 0.000) 2.544 8.388 ( 0.000 4.436 0.000) 4.436 8.401 ( 0.000 8.384 0.000) 8.384 8.490 ( 0.000 5.766 0.000) 5.766 8.599 ( 0.000 -3.333 0.000) 3.333 8.777 ( 0.000 -8.752 0.000) 8.752 8.906 ( 0.000 1.365 0.000) 1.365 8.908 ( 0.000 -8.888 0.000) 8.888 9.053 ( 0.000 -4.117 0.000) 4.117 9.161 ( 0.000 6.342 0.000) 6.342 9.234 ( 0.000 3.431 0.000) 3.431 9.462 ( 0.000 2.448 0.000) 2.448 9.496 ( 0.000 0.590 0.000) 0.590 9.823 ( 0.000 1.917 0.000) 1.917 9.888 ( 0.000 -0.764 0.000) 0.764 9.895 ( 0.000 1.256 0.000) 1.256 10.082 ( 0.000 -5.220 0.000) 5.220 10.767 ( 0.000 0.832 0.000) 0.832 10.782 ( 0.000 0.288 0.000) 0.288 11.237 ( 0.000 0.798 0.000) 0.798 11.347 ( 0.000 -4.189 0.000) 4.189 11.606 ( 0.000 3.119 0.000) 3.119 11.675 ( 0.000 -0.279 0.000) 0.279 11.775 ( 0.000 1.044 0.000) 1.044 11.863 ( 0.000 -3.028 0.000) 3.028 12.039 ( 0.000 4.245 0.000) 4.245 12.172 ( 0.000 -0.979 0.000) 0.979 12.244 ( 0.000 1.383 0.000) 1.383 12.287 ( 0.000 -0.232 0.000) 0.232 12.725 ( 0.000 0.633 0.000) 0.633 12.756 ( 0.000 0.869 0.000) 0.869 12.895 ( 0.000 2.804 0.000) 2.804 12.932 ( 0.000 3.468 0.000) 3.468 13.111 ( 0.000 -6.493 0.000) 6.493 13.158 ( 0.000 -5.024 0.000) 5.024 13.374 ( 0.000 1.129 0.000) 1.129 13.504 ( 0.000 -5.068 0.000) 5.068 13.869 ( 0.000 2.947 0.000) 2.947 13.922 ( 0.000 -0.684 0.000) 0.684 14.116 ( 0.000 0.908 0.000) 0.908 14.146 ( 0.000 0.105 0.000) 0.105 14.226 ( 0.000 2.032 0.000) 2.032 14.399 ( 0.000 -5.379 0.000) 5.379 14.624 ( 0.000 0.708 0.000) 0.708 14.652 ( 0.000 -1.117 0.000) 1.117 14.929 ( 0.000 4.020 0.000) 4.020 14.965 ( 0.000 4.215 0.000) 4.215 15.165 ( 0.000 3.259 0.000) 3.259 15.523 ( 0.000 4.244 0.000) 4.244 15.580 ( 0.000 -8.106 0.000) 8.106 15.929 ( 0.000 1.746 0.000) 1.746 15.932 ( 0.000 -5.355 0.000) 5.355 16.053 ( 0.000 -7.010 0.000) 7.010 16.188 ( 0.000 5.694 0.000) 5.694 16.371 ( 0.000 -0.856 0.000) 0.856 16.569 ( 0.000 2.555 0.000) 2.555 16.622 ( 0.000 0.807 0.000) 0.807 16.951 ( 0.000 0.965 0.000) 0.965 17.001 ( 0.000 -1.383 0.000) 1.383 17.237 ( 0.000 5.785 0.000) 5.785 17.428 ( 0.000 -1.781 0.000) 1.781 17.449 ( 0.000 1.103 0.000) 1.103 17.650 ( 0.000 -7.909 0.000) 7.909 17.787 ( 0.000 0.765 0.000) 0.765 17.846 ( 0.000 -0.907 0.000) 0.907 17.957 ( 0.000 1.243 0.000) 1.243 17.963 ( 0.000 -0.443 0.000) 0.443 18.022 ( 0.000 1.431 0.000) 1.431 18.038 ( 0.000 0.676 0.000) 0.676 18.526 ( 0.000 0.822 0.000) 0.822 18.610 ( 0.000 -1.649 0.000) 1.649 18.691 ( 0.000 6.316 0.000) 6.316 18.897 ( 0.000 -3.013 0.000) 3.013 18.923 ( 0.000 -1.265 0.000) 1.265 18.938 ( 0.000 -0.872 0.000) 0.872 19.115 ( 0.000 2.339 0.000) 2.339 19.207 ( 0.000 -1.490 0.000) 1.490 22.056 ( 0.000 2.092 0.000) 2.092 22.183 ( 0.000 -2.818 0.000) 2.818 22.280 ( 0.000 1.015 0.000) 1.015 22.342 ( 0.000 -1.366 0.000) 1.366 22.571 ( 0.000 0.906 0.000) 0.906 22.574 ( 0.000 0.552 0.000) 0.552 22.731 ( 0.000 0.821 0.000) 0.821 22.793 ( 0.000 -1.355 0.000) 1.355 27.194 ( 0.000 0.267 0.000) 0.267 27.225 ( 0.000 -1.079 0.000) 1.079 27.260 ( 0.000 0.411 0.000) 0.411 27.265 ( 0.000 0.434 0.000) 0.434 27.604 ( 0.000 0.069 0.000) 0.069 27.610 ( 0.000 -0.170 0.000) 0.170 27.731 ( 0.000 0.303 0.000) 0.303 27.735 ( 0.000 0.138 0.000) 0.138 35.594 ( 0.000 0.725 0.000) 0.725 35.644 ( 0.000 -1.163 0.000) 1.163 35.880 ( 0.000 1.175 0.000) 1.175 35.987 ( 0.000 -4.538 0.000) 4.538 36.331 ( 0.000 12.537 0.000) 12.537 36.974 ( 0.000 -14.951 0.000) 14.951 37.433 ( 0.000 0.554 0.000) 0.554 37.480 ( 0.000 -0.683 0.000) 0.683 37.692 ( 0.000 1.944 0.000) 1.944 37.779 ( 0.000 -1.362 0.000) 1.362 37.924 ( 0.000 2.993 0.000) 2.993 38.110 ( 0.000 -3.551 0.000) 3.551 38.754 ( 0.000 14.359 0.000) 14.359 39.332 ( 0.000 -9.362 0.000) 9.362 39.980 ( 0.000 3.126 0.000) 3.126 40.106 ( 0.000 -1.960 0.000) 1.960 ======================= Grid point 12 (8/84) ======================= q-point: ( 0.09 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 26.827 23.858 -6.093) 36.415 1.139 ( 12.753 34.034 17.694) 40.423 1.933 ( 41.687 24.781 -3.057) 48.592 2.166 ( 20.079 11.176 4.079) 23.339 2.540 ( -7.112 -25.756 3.252) 26.917 2.805 ( -2.377 -1.714 4.156) 5.085 3.005 ( 3.122 3.289 -4.932) 6.700 3.039 ( 2.523 -8.842 -2.051) 9.421 3.232 ( 2.703 -15.501 5.582) 16.696 3.551 ( 6.716 3.078 -0.686) 7.419 3.732 ( 2.913 3.127 -0.169) 4.277 3.851 ( -2.823 -1.272 -4.710) 5.637 3.927 ( 3.337 9.529 -5.944) 11.716 3.992 ( 6.189 3.653 1.815) 7.412 4.118 ( 7.229 2.672 4.467) 8.908 4.250 ( 1.606 -9.314 3.391) 10.041 4.332 ( 6.846 -12.390 -1.874) 14.279 4.369 ( 1.505 4.135 -1.442) 4.630 4.589 ( -3.498 0.372 -0.989) 3.654 4.668 ( 2.894 -0.309 -5.595) 6.307 4.743 ( 3.094 -3.098 -1.926) 4.783 4.756 ( 5.815 -5.084 2.812) 8.220 4.852 ( 5.592 -0.056 -4.833) 7.391 4.934 ( 3.517 -1.413 7.340) 8.261 5.120 ( 2.126 2.390 -7.029) 7.723 5.170 ( -7.332 -2.378 -0.131) 7.709 5.299 ( -3.138 -0.427 -3.391) 4.640 5.325 ( -1.141 -14.553 -3.904) 15.111 5.416 ( -4.189 3.646 2.329) 6.022 5.532 ( -2.070 -3.266 -2.717) 4.726 5.618 ( 1.365 -5.448 5.221) 7.668 5.691 ( -2.449 0.232 3.796) 4.524 5.756 ( 5.055 1.140 3.007) 5.991 5.773 ( 0.226 -0.427 0.987) 1.099 5.845 ( -6.896 -0.729 -5.780) 9.027 5.948 ( 4.010 -7.561 3.896) 9.404 6.054 ( 2.255 0.011 3.567) 4.219 6.097 ( 2.651 3.490 -4.491) 6.275 6.166 ( -2.801 1.242 3.189) 4.423 6.371 ( 0.869 5.364 -0.312) 5.443 6.415 ( 1.994 0.448 3.023) 3.649 6.520 ( 7.303 6.922 3.657) 10.706 6.657 ( 7.028 3.605 3.294) 8.558 6.719 ( -5.171 -1.202 1.582) 5.540 6.821 ( -1.601 9.185 8.242) 12.444 6.959 ( 1.376 -3.002 1.522) 3.636 7.063 ( 11.237 10.945 -5.194) 16.524 7.210 ( -4.689 0.127 1.737) 5.002 7.272 ( 2.504 1.164 -0.491) 2.805 7.346 ( -4.508 -4.546 6.050) 8.808 7.422 ( -5.476 3.801 0.188) 6.669 7.542 ( -3.645 0.687 -7.726) 8.570 7.611 ( -3.755 -0.640 -0.032) 3.809 7.691 ( 5.157 -3.843 -1.206) 6.543 7.767 ( 2.531 -0.933 -0.443) 2.734 7.852 ( -0.406 -9.288 4.318) 10.251 7.868 ( -0.643 -5.287 -1.325) 5.488 7.975 ( 0.635 -6.334 0.846) 6.422 8.134 ( -3.288 3.362 0.041) 4.703 8.269 ( 3.243 0.299 -2.240) 3.953 8.332 ( -7.239 9.647 5.101) 13.095 8.393 ( 0.853 3.574 -4.263) 5.627 8.510 ( 3.117 6.259 -5.781) 9.072 8.598 ( 0.580 -2.434 -2.346) 3.430 8.739 ( -4.726 -9.319 1.905) 10.622 8.863 ( -2.252 0.529 2.245) 3.223 8.939 ( 1.372 -6.399 -1.074) 6.632 9.025 ( -1.273 -1.612 3.029) 3.660 9.165 ( 1.412 6.110 -2.072) 6.604 9.220 ( -0.320 4.241 -1.513) 4.514 9.463 ( -0.314 0.330 0.434) 0.629 9.498 ( 0.166 0.648 0.329) 0.746 9.787 ( -2.682 3.502 1.356) 4.614 9.847 ( -3.968 1.436 -1.831) 4.600 9.900 ( -1.024 -1.205 0.192) 1.593 10.031 ( -3.890 -4.477 -3.167) 6.724 10.873 ( 9.405 1.095 -0.383) 9.476 10.897 ( 12.167 -0.930 -4.600) 13.041 11.249 ( 1.331 0.537 1.826) 2.322 11.350 ( 0.296 -3.376 -0.383) 3.411 11.624 ( -2.261 -2.116 3.539) 4.703 11.664 ( -2.576 -1.611 0.498) 3.079 11.839 ( 5.091 -0.525 5.224) 7.314 11.880 ( 1.305 -1.445 1.685) 2.575 12.004 ( -2.639 4.369 -0.547) 5.133 12.161 ( -0.451 -2.161 -2.966) 3.697 12.257 ( 1.108 1.021 -0.180) 1.518 12.284 ( -0.041 0.059 -0.483) 0.488 12.720 ( -0.619 0.181 0.421) 0.770 12.739 ( -0.899 -0.816 -2.053) 2.385 12.886 ( 0.438 4.424 -2.210) 4.964 12.967 ( 3.149 3.771 0.367) 4.927 13.103 ( 0.107 -4.879 0.956) 4.973 13.226 ( 4.538 -6.254 2.563) 8.141 13.382 ( -3.717 4.445 -2.812) 6.441 13.424 ( -3.812 2.788 4.273) 6.368 13.710 ( -5.163 11.206 -1.828) 12.472 13.948 ( -1.326 -3.752 -2.061) 4.482 14.064 ( -6.703 1.490 -1.538) 7.037 14.113 ( -1.784 -0.944 -1.248) 2.373 14.227 ( 1.183 1.527 0.047) 1.932 14.360 ( -2.043 -3.557 -1.594) 4.401 14.568 ( 0.978 2.189 -1.279) 2.717 14.689 ( 3.165 -3.474 -4.234) 6.326 14.971 ( 2.748 6.211 3.383) 7.588 15.029 ( 6.915 3.860 -0.979) 7.979 15.184 ( 3.270 1.154 -1.967) 3.987 15.486 ( -5.039 -1.280 0.157) 5.201 15.518 ( -2.136 -1.043 5.032) 5.565 15.871 ( -7.673 -3.653 2.070) 8.747 15.907 ( -0.218 0.323 -2.636) 2.665 16.060 ( -0.848 -5.994 -2.998) 6.755 16.132 ( -3.376 7.187 -2.250) 8.253 16.350 ( -4.184 0.756 0.874) 4.341 16.490 ( -7.778 1.130 12.329) 14.621 16.663 ( -3.386 -9.986 -0.611) 10.562 16.969 ( -0.450 2.389 2.649) 3.595 17.081 ( -5.269 0.201 -5.746) 7.799 17.151 ( 5.497 -1.078 -3.840) 6.791 17.276 ( -6.960 -1.709 -5.558) 9.070 17.620 ( 6.568 -0.087 3.307) 7.354 17.665 ( 0.796 -3.710 3.735) 5.324 17.817 ( 2.323 1.411 -7.008) 7.516 17.840 ( -0.513 2.933 7.026) 7.631 17.960 ( 0.000 0.262 3.187) 3.198 17.976 ( 3.634 -1.099 -9.960) 10.659 18.058 ( 1.286 1.033 1.356) 2.136 18.092 ( 3.168 1.411 5.032) 6.111 18.405 ( -7.352 -0.831 1.061) 7.475 18.508 ( -12.057 -3.134 1.223) 12.518 18.650 ( -4.337 4.974 1.058) 6.684 18.834 ( -8.020 -0.703 0.460) 8.064 18.876 ( -2.203 -0.597 -2.168) 3.148 18.926 ( -1.831 -1.008 2.385) 3.171 19.151 ( 4.555 0.330 -5.277) 6.979 19.193 ( -1.069 -0.803 -2.049) 2.446 22.048 ( -0.591 2.090 -0.814) 2.319 22.107 ( -2.565 4.071 -3.448) 5.919 22.229 ( -2.549 -0.514 0.452) 2.639 22.390 ( -3.631 -5.607 8.406) 10.737 22.577 ( 0.596 0.938 0.644) 1.284 22.610 ( 1.602 -1.161 4.670) 5.071 22.726 ( -0.836 0.797 0.336) 1.203 22.771 ( -1.973 -0.271 0.365) 2.025 27.200 ( 0.710 0.083 -0.695) 0.997 27.224 ( 0.183 -1.037 -0.658) 1.241 27.272 ( 1.158 0.785 0.632) 1.535 27.286 ( 1.755 0.347 0.423) 1.838 27.612 ( 1.145 0.133 -1.108) 1.599 27.618 ( 0.909 0.072 -1.169) 1.482 27.738 ( -0.005 0.301 2.373) 2.392 27.744 ( 0.217 0.200 2.276) 2.295 35.606 ( 1.186 0.827 0.010) 1.446 35.680 ( 3.167 -2.063 2.060) 4.304 35.825 ( -5.054 2.797 4.220) 7.154 36.035 ( 4.763 -8.230 -6.046) 11.268 36.373 ( 5.862 10.145 -6.798) 13.546 36.777 ( -10.497 -0.977 -5.750) 12.008 37.302 ( 0.361 9.980 -0.486) 9.998 37.576 ( -2.996 4.895 -1.975) 6.069 37.731 ( 4.771 -9.486 1.694) 10.752 37.900 ( 11.046 -9.971 -13.797) 20.293 38.067 ( 13.740 1.319 2.828) 14.090 38.287 ( 14.679 -4.174 6.684) 16.661 38.649 ( -4.036 11.692 -7.276) 14.351 39.115 ( -8.660 -3.347 -15.550) 18.111 39.702 ( 0.300 25.182 0.291) 25.186 40.768 ( 21.566 -32.092 -3.486) 38.822 ======================= Grid point 13 (9/84) ======================= q-point: ( 0.18 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 32.987 7.611 -3.873) 34.074 1.580 ( 24.468 18.362 13.309) 33.361 2.334 ( 8.174 -3.984 11.878) 14.959 2.480 ( 5.387 -21.374 -3.297) 22.287 2.695 ( 4.650 1.668 -4.299) 6.548 2.905 ( 6.954 4.857 2.484) 8.838 3.093 ( 2.669 -6.124 -3.339) 7.468 3.143 ( 28.872 24.970 0.572) 38.176 3.372 ( 12.223 -15.569 6.312) 20.776 3.670 ( 6.376 2.658 -4.534) 8.263 3.776 ( -2.138 0.449 0.082) 2.186 3.802 ( 6.533 9.624 -5.248) 12.762 3.958 ( 2.843 6.743 -2.697) 7.799 4.150 ( 6.463 0.630 4.679) 8.004 4.162 ( -0.036 0.084 4.266) 4.267 4.315 ( 1.864 0.945 1.422) 2.528 4.407 ( -4.910 -1.002 -2.623) 5.656 4.504 ( 8.304 6.352 -0.099) 10.455 4.558 ( 8.076 -16.030 -5.643) 18.816 4.681 ( 1.843 -0.476 -3.740) 4.196 4.774 ( -1.906 0.243 -1.842) 2.661 4.886 ( 6.648 -6.162 3.744) 9.807 4.898 ( -2.559 -0.685 2.720) 3.797 4.995 ( 0.541 -0.460 5.783) 5.827 5.053 ( 2.941 -1.180 -5.924) 6.719 5.126 ( 0.937 -1.013 -5.041) 5.226 5.247 ( 1.298 -3.299 -1.915) 4.029 5.314 ( -0.128 2.281 2.879) 3.675 5.442 ( -2.310 -9.920 -2.381) 10.460 5.504 ( 4.729 0.727 1.928) 5.158 5.608 ( -2.993 -0.129 1.274) 3.256 5.681 ( -1.134 -0.882 -0.866) 1.678 5.733 ( 3.187 -0.867 4.589) 5.654 5.819 ( 6.239 -0.094 -2.181) 6.610 5.936 ( 2.276 -1.053 -4.044) 4.759 5.985 ( 2.419 -4.757 3.833) 6.571 6.057 ( 0.407 -0.146 0.886) 0.986 6.149 ( 0.523 6.145 -0.734) 6.211 6.174 ( 2.875 -4.051 1.498) 5.188 6.394 ( -0.086 2.542 1.658) 3.036 6.433 ( 3.276 -3.536 -1.203) 4.968 6.573 ( -5.568 -2.639 -0.512) 6.183 6.633 ( -0.205 4.809 1.063) 4.929 6.865 ( 6.197 -0.310 4.945) 7.934 6.870 ( 5.657 5.040 9.071) 11.819 7.027 ( 1.434 6.525 2.873) 7.272 7.110 ( -1.742 3.095 -1.737) 3.954 7.176 ( -3.646 -2.954 0.452) 4.714 7.226 ( 2.113 6.234 -2.854) 7.174 7.283 ( -7.953 2.231 -3.423) 8.941 7.414 ( 0.577 1.035 -0.583) 1.320 7.475 ( 1.664 -3.499 4.116) 5.653 7.598 ( 0.788 -0.769 1.442) 1.814 7.741 ( -4.113 -3.553 0.121) 5.436 7.773 ( 3.327 -5.427 2.261) 6.755 7.851 ( 0.825 -3.016 -1.593) 3.510 7.869 ( -3.860 -8.071 3.882) 9.752 7.951 ( -1.179 -4.349 -2.063) 4.955 8.061 ( -3.881 6.051 -1.262) 7.299 8.241 ( -0.499 7.379 -3.044) 7.998 8.267 ( -2.024 -1.638 -4.050) 4.814 8.368 ( -2.871 6.480 0.368) 7.097 8.547 ( 4.260 5.664 -6.202) 9.418 8.590 ( 0.768 0.408 -2.960) 3.085 8.671 ( -2.569 -7.191 3.452) 8.380 8.868 ( 1.268 1.606 3.130) 3.740 8.961 ( 1.190 -3.949 -0.102) 4.126 9.021 ( -1.032 -1.057 1.983) 2.473 9.197 ( 2.376 4.763 -1.601) 5.558 9.218 ( 1.014 0.936 -1.335) 1.920 9.452 ( -0.116 -1.509 -3.544) 3.854 9.510 ( -0.129 -1.299 4.262) 4.458 9.727 ( -4.273 2.297 -0.349) 4.864 9.769 ( -3.003 4.199 0.492) 5.186 9.861 ( -3.003 -1.136 1.531) 3.557 9.931 ( -4.286 -2.657 -4.387) 6.684 11.056 ( 8.587 1.647 -0.535) 8.760 11.117 ( 11.966 -1.091 -1.610) 12.123 11.308 ( 3.158 0.253 3.999) 5.102 11.377 ( 3.161 -2.339 0.677) 3.990 11.580 ( -3.155 -1.395 0.004) 3.450 11.591 ( -2.812 -1.430 0.976) 3.302 11.904 ( 0.564 0.231 -0.166) 0.632 11.938 ( 2.320 -1.876 0.315) 3.000 11.960 ( -2.140 3.225 0.991) 3.995 12.143 ( 0.667 -3.976 -0.874) 4.126 12.268 ( -0.033 2.199 -1.269) 2.539 12.291 ( 1.078 1.019 1.690) 2.249 12.714 ( 0.399 -0.560 -0.965) 1.185 12.727 ( 0.884 -1.919 -0.736) 2.237 12.893 ( 1.622 5.623 -3.750) 6.950 13.027 ( 1.310 5.729 2.254) 6.294 13.114 ( 0.424 -2.896 -0.639) 2.996 13.253 ( -2.199 8.203 -0.982) 8.549 13.342 ( 5.412 -5.308 0.170) 7.582 13.456 ( 0.617 -0.377 4.533) 4.591 13.668 ( -0.444 4.755 -0.879) 4.856 13.884 ( -4.757 -3.750 -0.402) 6.071 13.909 ( -7.329 0.806 -1.468) 7.518 14.002 ( -8.837 -2.898 -4.865) 10.496 14.240 ( 1.234 1.557 -0.116) 1.990 14.379 ( 2.203 -4.699 3.912) 6.499 14.616 ( 3.994 0.604 -1.147) 4.199 14.731 ( 3.337 -2.468 -4.161) 5.877 15.008 ( 0.506 7.714 -1.489) 7.873 15.198 ( 9.439 3.073 3.649) 10.577 15.268 ( 6.459 0.872 -6.579) 9.260 15.383 ( -5.627 -5.590 -0.831) 7.975 15.525 ( -3.133 -0.714 13.381) 13.761 15.718 ( -8.247 -1.322 2.835) 8.820 15.892 ( -0.074 -0.379 -2.785) 2.811 15.982 ( -5.166 -0.526 -5.554) 7.603 16.073 ( -2.709 6.957 1.687) 7.654 16.209 ( -11.160 1.062 0.693) 11.231 16.376 ( -10.781 -1.246 9.688) 14.548 16.560 ( -6.202 -10.020 -1.714) 11.908 16.907 ( -6.110 1.018 -3.317) 7.027 16.936 ( -4.775 0.861 -0.885) 4.932 17.134 ( 0.099 -0.209 -10.215) 10.217 17.242 ( 0.467 -1.354 0.268) 1.457 17.678 ( 0.305 -0.055 2.039) 2.062 17.714 ( 1.394 -1.882 1.575) 2.823 17.801 ( -0.349 3.431 -2.524) 4.274 17.876 ( -0.128 5.030 0.816) 5.098 17.948 ( -1.462 0.656 -1.728) 2.357 18.013 ( 2.843 -1.031 -5.258) 6.066 18.058 ( -5.155 -0.735 5.207) 7.364 18.118 ( -3.709 -0.885 8.142) 8.990 18.276 ( -7.432 -1.514 -0.955) 7.644 18.333 ( -3.151 -3.612 0.082) 4.795 18.557 ( -5.552 3.319 1.585) 6.659 18.669 ( -8.036 2.292 -0.657) 8.382 18.827 ( -3.132 -1.361 0.140) 3.418 18.877 ( -5.336 -2.250 4.396) 7.270 19.165 ( -0.075 0.564 -2.424) 2.489 19.192 ( 2.863 -0.745 -6.026) 6.713 22.032 ( -0.562 2.023 -0.635) 2.193 22.071 ( -0.866 3.375 -0.895) 3.598 22.179 ( -2.829 -1.050 -0.282) 3.031 22.330 ( -5.070 -4.513 3.300) 7.547 22.596 ( 0.847 0.989 1.212) 1.779 22.651 ( 0.369 -1.615 3.409) 3.791 22.702 ( -1.873 0.787 0.280) 2.051 22.732 ( -2.269 0.153 0.106) 2.277 27.208 ( 0.764 -0.230 -1.554) 1.746 27.229 ( 0.828 -1.440 -0.887) 1.883 27.304 ( 1.815 1.385 0.631) 2.369 27.329 ( 2.302 0.457 0.917) 2.520 27.629 ( 1.086 0.666 -1.647) 2.083 27.633 ( 1.799 0.215 -1.519) 2.365 27.751 ( -0.102 0.163 2.791) 2.798 27.760 ( -0.267 0.121 3.335) 3.348 35.642 ( 2.567 1.950 0.349) 3.242 35.737 ( -1.396 0.643 4.064) 4.345 35.804 ( 3.814 -0.361 1.616) 4.158 36.071 ( 2.070 -11.092 -4.888) 12.297 36.461 ( 6.977 6.702 -5.926) 11.345 36.633 ( -2.551 4.242 -5.861) 7.672 37.337 ( 1.968 8.993 0.223) 9.209 37.531 ( -1.297 5.074 -1.599) 5.475 37.786 ( 1.205 -7.024 2.109) 7.432 38.050 ( 11.105 -10.595 -7.620) 17.136 38.353 ( 13.814 -1.429 3.163) 14.243 38.559 ( 8.751 0.823 -3.728) 9.548 38.671 ( 5.838 -0.604 8.933) 10.688 38.967 ( 3.715 -5.041 -11.555) 13.143 39.769 ( 4.871 28.357 0.037) 28.773 40.917 ( 2.844 -22.899 -9.650) 25.012 ======================= Grid point 14 (10/84) ======================= q-point: ( 0.27 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 23.952 2.216 -2.333) 24.167 2.126 ( 25.402 8.956 6.823) 27.786 2.444 ( 3.215 -10.013 7.172) 12.729 2.625 ( 6.580 -9.659 -1.015) 11.731 2.795 ( 9.989 4.147 4.197) 11.601 2.894 ( -1.763 1.696 -2.952) 3.834 3.089 ( 0.773 -2.006 -4.305) 4.812 3.449 ( 8.605 -8.966 5.176) 13.462 3.691 ( 5.050 3.617 -3.537) 7.148 3.755 ( 3.377 3.040 1.567) 4.807 3.917 ( 4.241 8.203 2.041) 9.458 3.971 ( 8.884 1.955 -0.331) 9.102 4.006 ( 11.637 3.214 -2.945) 12.427 4.155 ( -6.244 0.904 5.075) 8.097 4.190 ( -5.768 1.242 -2.916) 6.581 4.296 ( 5.685 -1.435 -1.027) 5.953 4.420 ( 15.739 5.968 -2.581) 17.029 4.577 ( 5.210 1.091 -8.517) 10.044 4.654 ( 2.504 2.196 -5.542) 6.466 4.753 ( 2.833 -1.829 5.504) 6.455 4.788 ( 1.559 0.174 3.709) 4.027 4.874 ( 0.053 -0.269 -0.515) 0.583 4.909 ( -0.767 -1.478 4.400) 4.705 5.070 ( 2.831 -10.495 2.687) 11.197 5.105 ( 1.527 4.021 -1.394) 4.521 5.164 ( 1.075 0.111 3.531) 3.692 5.278 ( 0.194 -3.510 2.084) 4.087 5.373 ( 7.162 1.876 -3.224) 8.075 5.421 ( 3.285 -3.689 -1.337) 5.117 5.510 ( -3.766 4.415 0.981) 5.885 5.538 ( -3.708 0.657 3.517) 5.153 5.707 ( -2.226 -1.850 1.114) 3.101 5.753 ( 2.986 -1.434 0.543) 3.357 5.891 ( -2.998 1.299 -3.327) 4.663 5.937 ( 0.114 3.172 -1.959) 3.730 6.050 ( -5.703 4.197 1.485) 7.235 6.133 ( 16.690 -4.296 0.269) 17.236 6.221 ( 3.629 -3.970 1.411) 5.561 6.253 ( 6.904 -3.357 0.376) 7.686 6.353 ( -7.227 -7.868 -0.997) 10.730 6.426 ( 0.055 -1.605 -5.249) 5.489 6.549 ( 6.477 -5.516 -3.219) 9.096 6.700 ( 5.370 -0.366 2.136) 5.791 6.888 ( -6.086 -5.668 5.351) 9.890 6.949 ( -6.252 11.359 -1.955) 13.113 7.005 ( 3.455 2.942 3.403) 5.672 7.100 ( -2.491 7.150 -3.135) 8.195 7.142 ( -0.390 5.160 -3.857) 6.455 7.209 ( 5.400 1.061 1.266) 5.647 7.283 ( 4.361 0.511 -0.157) 4.394 7.414 ( 0.877 1.592 -2.159) 2.822 7.493 ( -3.267 -4.758 6.571) 8.746 7.575 ( -5.949 -0.523 2.582) 6.506 7.667 ( -5.069 -5.229 3.383) 8.030 7.744 ( -7.539 -3.161 3.439) 8.869 7.844 ( -0.247 -10.935 0.025) 10.938 7.872 ( 2.672 -0.400 2.136) 3.444 7.954 ( 1.055 -0.947 1.015) 1.743 8.008 ( -0.109 2.601 -1.317) 2.918 8.186 ( -1.552 -2.489 -6.356) 7.001 8.285 ( -1.252 6.671 -3.748) 7.753 8.310 ( 6.206 4.827 -5.395) 9.535 8.555 ( 0.512 4.377 -0.163) 4.410 8.653 ( 1.883 -2.263 0.660) 3.017 8.724 ( 9.331 4.221 1.583) 10.362 8.922 ( 2.396 -0.812 0.908) 2.688 8.960 ( -0.919 0.789 -0.140) 1.219 9.035 ( 1.585 -1.552 2.385) 3.258 9.203 ( -0.478 3.630 -0.601) 3.711 9.241 ( 1.087 -1.138 -1.391) 2.100 9.424 ( 0.252 -1.190 -6.750) 6.859 9.522 ( -2.309 -4.966 5.887) 8.040 9.665 ( -1.399 3.108 -0.117) 3.410 9.742 ( -0.292 3.069 0.583) 3.137 9.809 ( -2.927 -1.745 -1.867) 3.886 9.852 ( -2.103 -0.047 0.252) 2.118 11.121 ( -1.339 2.240 -0.883) 2.755 11.250 ( 0.550 -3.017 3.358) 4.548 11.413 ( 6.303 0.903 2.795) 6.954 11.454 ( 2.743 -0.175 3.196) 4.216 11.586 ( 7.181 -0.641 -2.019) 7.487 11.634 ( 5.800 -1.523 1.715) 6.237 11.869 ( -1.666 1.223 -6.314) 6.644 11.939 ( 0.133 1.329 -1.846) 2.278 11.963 ( 0.725 -1.102 1.808) 2.238 12.152 ( -0.891 -5.470 -0.170) 5.545 12.267 ( 0.557 3.734 0.312) 3.788 12.334 ( 1.928 1.124 3.098) 3.818 12.732 ( 2.104 -0.174 -1.346) 2.504 12.759 ( 2.488 -1.106 0.269) 2.736 12.898 ( 0.725 3.934 -3.092) 5.056 13.002 ( -3.843 6.446 -0.881) 7.556 13.098 ( -1.500 -0.102 -1.407) 2.059 13.296 ( 5.561 3.760 1.057) 6.796 13.402 ( -2.854 -6.949 0.952) 7.573 13.470 ( -0.198 -1.733 4.146) 4.498 13.651 ( -1.992 0.145 -0.779) 2.144 13.770 ( -3.053 2.141 -1.053) 3.875 13.812 ( -4.880 -2.407 -3.723) 6.594 13.859 ( -0.746 -0.356 -0.618) 1.032 14.276 ( 1.891 -0.596 2.118) 2.901 14.412 ( -1.879 -5.897 4.031) 7.386 14.683 ( 3.399 0.807 -1.661) 3.869 14.763 ( 2.574 -0.219 -3.700) 4.512 14.995 ( 0.336 5.432 -4.257) 6.910 15.237 ( -4.865 -2.155 -4.052) 6.688 15.326 ( -0.955 -0.430 -0.754) 1.291 15.378 ( 4.727 1.010 1.397) 5.032 15.447 ( -9.002 1.614 7.035) 11.538 15.684 ( -0.583 -1.936 2.308) 3.069 15.776 ( -10.584 5.492 -5.655) 13.197 15.917 ( 1.483 -0.074 2.875) 3.236 15.995 ( -10.370 -0.102 0.984) 10.417 16.029 ( -3.987 1.309 3.280) 5.326 16.247 ( -7.287 -0.966 12.053) 14.118 16.432 ( -5.971 -7.786 -2.873) 10.224 16.804 ( -3.072 0.245 -6.769) 7.437 16.831 ( -5.726 -0.784 -0.144) 5.781 17.111 ( 1.661 2.684 -6.565) 7.285 17.245 ( -0.279 -0.504 0.620) 0.846 17.662 ( -2.262 0.247 0.278) 2.292 17.737 ( -0.051 -0.185 -1.711) 1.721 17.757 ( -5.362 2.135 3.260) 6.629 17.813 ( -6.268 0.567 -1.093) 6.388 17.867 ( -1.671 -0.463 -4.032) 4.389 17.974 ( -1.318 -0.604 -2.798) 3.152 18.007 ( -1.994 1.012 2.209) 3.143 18.111 ( -1.651 -2.178 5.028) 5.723 18.192 ( -4.634 -0.271 -2.160) 5.120 18.294 ( -0.404 -0.913 3.185) 3.338 18.503 ( -0.942 2.190 -1.599) 2.871 18.546 ( -5.765 2.088 2.788) 6.735 18.753 ( -5.254 -1.457 1.056) 5.553 18.792 ( -5.509 -2.623 3.762) 7.168 19.168 ( 1.324 0.882 -1.582) 2.244 19.198 ( 1.000 -0.246 -4.738) 4.849 22.022 ( -0.267 1.606 -0.234) 1.644 22.053 ( -0.739 2.861 -0.366) 2.977 22.127 ( -2.344 -1.108 -0.684) 2.682 22.255 ( -4.181 -3.790 1.442) 5.825 22.618 ( 0.825 0.794 1.150) 1.623 22.652 ( -1.192 0.318 -0.750) 1.444 22.667 ( -1.695 -0.124 -0.746) 1.856 22.698 ( -1.893 -0.474 3.074) 3.641 27.215 ( 1.005 -0.543 -1.631) 1.991 27.242 ( 0.928 -2.033 -0.794) 2.372 27.342 ( 1.862 1.947 0.440) 2.729 27.376 ( 2.090 0.501 1.135) 2.430 27.641 ( 1.005 0.961 -1.535) 2.071 27.659 ( 1.767 0.160 -1.549) 2.355 27.761 ( -0.454 -0.000 2.609) 2.648 27.766 ( -0.789 0.013 2.840) 2.947 35.697 ( 2.340 3.263 0.272) 4.025 35.728 ( -0.042 2.666 3.671) 4.537 35.922 ( 6.791 -3.755 0.836) 7.805 36.065 ( -0.175 -11.888 -3.268) 12.331 36.552 ( 3.988 5.365 -2.957) 7.310 36.612 ( 4.418 6.600 -5.168) 9.476 37.338 ( -3.106 7.024 1.826) 7.894 37.489 ( -2.716 1.837 -1.889) 3.784 37.820 ( 1.999 -1.764 0.740) 2.766 38.221 ( 9.967 -13.675 -3.261) 17.233 38.528 ( 2.812 -7.436 1.525) 8.095 38.683 ( 1.511 -5.404 -6.394) 8.507 38.755 ( 12.365 11.623 2.144) 17.105 39.213 ( 17.071 -6.946 6.141) 19.426 39.858 ( 4.959 27.573 -1.592) 28.061 40.868 ( -1.636 -16.208 -8.652) 18.445 ======================= Grid point 15 (11/84) ======================= q-point: ( 0.36 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 6.965 0.646 -4.861) 8.518 2.429 ( 3.470 -0.169 2.633) 4.360 2.629 ( 7.059 -1.324 0.259) 7.187 2.797 ( 10.689 -4.915 9.112) 14.881 2.883 ( 3.453 0.591 -2.282) 4.181 2.993 ( 13.046 -2.448 -3.895) 13.834 3.186 ( 10.438 8.616 4.466) 14.253 3.612 ( 2.621 -7.902 5.602) 10.034 3.735 ( -0.055 0.299 1.810) 1.835 3.802 ( 1.465 -1.104 0.120) 1.838 3.877 ( -3.971 4.065 -0.511) 5.706 4.004 ( 3.955 -0.759 0.151) 4.030 4.057 ( -2.305 3.742 -1.054) 4.519 4.192 ( 8.457 -0.567 -1.079) 8.544 4.231 ( 7.618 2.668 0.760) 8.108 4.361 ( 3.147 -1.986 -3.702) 5.249 4.601 ( 1.453 1.986 -5.249) 5.797 4.644 ( -0.725 6.473 -2.521) 6.984 4.677 ( 2.644 -0.928 -3.577) 4.544 4.741 ( -3.263 1.713 1.017) 3.823 4.861 ( 2.131 2.395 -0.471) 3.240 4.917 ( 3.702 -2.697 2.806) 5.371 4.949 ( -0.528 -0.330 6.458) 6.488 5.067 ( -2.889 -1.001 -0.258) 3.068 5.129 ( -0.164 -6.276 -2.970) 6.945 5.162 ( -4.395 1.045 -0.185) 4.522 5.292 ( 8.577 -5.591 5.438) 11.593 5.405 ( -4.703 3.463 1.584) 6.052 5.442 ( -1.342 1.017 -2.815) 3.280 5.489 ( -0.058 1.266 -1.036) 1.637 5.585 ( 2.473 0.317 7.942) 8.324 5.739 ( 3.007 -1.172 8.651) 9.233 5.819 ( 0.733 0.673 -1.976) 2.213 5.833 ( 4.082 6.140 -0.333) 7.380 5.876 ( -1.699 -2.848 -6.725) 7.498 6.033 ( 3.467 3.925 -0.159) 5.239 6.135 ( -9.260 -9.337 0.180) 13.152 6.245 ( -1.871 -3.465 -5.070) 6.419 6.333 ( 2.062 -4.937 -1.808) 5.647 6.380 ( 8.491 6.224 -1.537) 10.639 6.481 ( 2.741 -4.217 0.131) 5.031 6.623 ( 3.963 -0.898 -6.037) 7.277 6.799 ( -5.479 4.205 2.762) 7.439 6.808 ( 3.778 -2.365 3.224) 5.501 6.863 ( 1.012 3.058 1.323) 3.482 7.015 ( 0.248 5.875 -5.985) 8.390 7.070 ( -1.630 2.895 -1.087) 3.496 7.163 ( 2.864 3.444 -1.977) 4.896 7.257 ( 0.115 1.735 -0.792) 1.911 7.338 ( -2.790 -2.270 5.878) 6.891 7.406 ( -3.631 2.588 -1.545) 4.719 7.449 ( -1.079 -1.363 -3.188) 3.632 7.520 ( 2.119 -4.398 0.644) 4.925 7.589 ( -2.830 -7.522 3.821) 8.899 7.665 ( -4.353 1.736 4.362) 6.403 7.824 ( -1.000 -13.087 -1.549) 13.217 7.850 ( -6.455 4.198 6.637) 10.166 7.983 ( -2.510 2.238 1.205) 3.572 8.018 ( 3.395 -4.819 3.500) 6.856 8.203 ( 4.358 -3.330 -2.140) 5.887 8.275 ( 4.823 5.543 -4.964) 8.867 8.453 ( 9.555 1.607 -8.738) 13.047 8.566 ( 0.251 7.577 4.482) 8.807 8.716 ( 5.267 -5.094 1.039) 7.401 8.915 ( 1.513 3.415 2.824) 4.682 8.925 ( 1.886 -0.580 -0.366) 2.007 8.993 ( 7.336 1.315 -1.711) 7.646 9.083 ( 2.171 -0.901 1.050) 2.574 9.199 ( 0.120 3.950 0.757) 4.024 9.236 ( -0.453 0.028 -0.119) 0.469 9.386 ( -0.848 -0.429 -7.610) 7.669 9.484 ( -3.091 -4.643 2.031) 5.936 9.660 ( -1.029 2.330 2.775) 3.767 9.727 ( -1.557 -0.930 -1.409) 2.296 9.789 ( 2.151 1.508 -0.305) 2.644 9.846 ( 0.537 -0.579 1.099) 1.353 11.045 ( -4.463 2.576 -2.040) 5.542 11.229 ( -2.975 -5.372 3.112) 6.885 11.517 ( 1.953 2.979 6.879) 7.747 11.544 ( 4.964 2.936 1.988) 6.101 11.751 ( 9.038 -1.215 -1.048) 9.180 11.758 ( 4.236 -2.196 0.155) 4.774 11.825 ( 2.545 2.582 -7.408) 8.247 11.924 ( -0.052 -2.311 -3.797) 4.445 12.010 ( 2.297 -0.179 3.707) 4.364 12.125 ( -0.975 -3.271 1.276) 3.644 12.274 ( -0.421 3.414 0.623) 3.496 12.373 ( 0.463 0.046 1.349) 1.427 12.753 ( -0.244 2.505 -2.801) 3.766 12.813 ( 2.633 0.060 0.439) 2.670 12.887 ( -1.859 1.158 0.614) 2.275 12.915 ( -1.557 -1.700 -4.718) 5.251 13.062 ( -1.409 4.154 -0.013) 4.387 13.270 ( -7.793 -4.363 0.167) 8.933 13.412 ( 3.810 1.118 4.239) 5.808 13.482 ( -1.266 0.411 2.551) 2.877 13.548 ( -6.831 1.060 -2.146) 7.238 13.751 ( -0.335 -3.796 0.116) 3.812 13.820 ( 6.634 1.673 0.412) 6.854 13.921 ( 6.511 -0.546 -2.067) 6.853 14.326 ( 0.743 -4.131 1.472) 4.448 14.356 ( -2.908 -4.569 1.128) 5.532 14.708 ( 0.296 1.689 -1.977) 2.617 14.798 ( 2.231 -1.682 -0.538) 2.845 14.989 ( 1.710 4.101 -4.481) 6.311 15.136 ( -4.077 0.019 -1.662) 4.403 15.208 ( -11.537 -1.290 0.927) 11.646 15.259 ( -8.337 0.963 -0.583) 8.413 15.478 ( -6.709 7.140 0.799) 9.830 15.502 ( -2.592 6.513 -5.391) 8.843 15.672 ( -2.542 -1.647 -1.076) 3.214 15.838 ( -7.079 -3.763 -0.349) 8.024 15.995 ( -1.399 -0.995 3.426) 3.832 16.037 ( 6.075 -1.897 8.901) 10.942 16.231 ( -3.735 0.408 16.464) 16.888 16.324 ( -3.364 -4.335 -3.827) 6.690 16.682 ( -5.397 -0.570 -5.398) 7.654 16.750 ( -2.466 -1.538 -5.577) 6.289 17.114 ( 1.445 4.724 -4.055) 6.391 17.228 ( -2.017 0.366 0.924) 2.249 17.606 ( -3.756 0.066 0.338) 3.772 17.627 ( -5.032 0.155 0.132) 5.036 17.723 ( -2.412 -0.587 -0.220) 2.492 17.754 ( -0.021 -1.565 0.679) 1.706 17.866 ( 2.111 0.924 -4.366) 4.937 17.946 ( 0.732 0.415 -4.933) 5.005 17.988 ( -2.224 1.873 4.525) 5.379 18.050 ( -3.251 4.796 -3.247) 6.642 18.158 ( -0.762 -6.998 4.486) 8.347 18.304 ( -0.306 -3.396 0.917) 3.531 18.448 ( -3.942 1.983 0.880) 4.500 18.510 ( -0.543 3.821 1.305) 4.074 18.655 ( -5.490 -2.022 1.204) 5.973 18.725 ( -3.378 -2.126 2.209) 4.562 19.186 ( 0.188 0.680 -2.795) 2.883 19.188 ( 1.064 0.462 -0.799) 1.408 22.019 ( -0.057 1.302 -0.151) 1.312 22.040 ( -0.537 2.519 0.033) 2.575 22.088 ( -1.476 -0.965 -0.672) 1.887 22.195 ( -2.726 -3.217 0.648) 4.266 22.619 ( -1.417 0.819 -0.716) 1.786 22.628 ( -1.358 0.162 -1.824) 2.280 22.639 ( 0.520 0.607 0.965) 1.253 22.689 ( -1.076 -1.063 2.762) 3.149 27.228 ( 1.078 -0.945 -1.065) 1.785 27.253 ( 0.597 -2.402 -0.600) 2.547 27.375 ( 1.379 2.460 0.275) 2.833 27.414 ( 1.335 0.704 0.907) 1.761 27.649 ( 0.619 0.879 -1.083) 1.526 27.680 ( 1.224 -0.130 -1.422) 1.881 27.758 ( -1.106 0.183 2.389) 2.639 27.767 ( -0.277 -0.182 1.485) 1.522 35.714 ( 0.116 2.234 1.128) 2.505 35.784 ( 3.177 4.365 1.557) 5.619 36.029 ( 0.537 -8.499 0.187) 8.518 36.051 ( 3.798 -8.001 -1.566) 8.994 36.585 ( 2.665 9.942 -3.174) 10.771 36.726 ( 8.111 4.609 -1.397) 9.433 37.244 ( -7.675 2.561 2.777) 8.554 37.399 ( -5.562 -1.351 -2.614) 6.292 37.868 ( 2.694 2.769 0.087) 3.864 38.370 ( 7.004 -16.450 -1.131) 17.914 38.524 ( -1.186 -1.300 -0.341) 1.793 38.729 ( 5.020 -9.810 -3.930) 11.699 38.990 ( 10.133 14.147 2.142) 17.533 39.522 ( 11.722 -8.195 6.424) 15.679 39.930 ( 3.624 24.945 -1.504) 25.252 40.795 ( -1.774 -12.540 -5.735) 13.903 ======================= Grid point 16 (12/84) ======================= q-point: ( 0.45 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 3.149 0.183 -1.011) 3.312 2.461 ( 0.412 -1.479 -0.304) 1.565 2.600 ( -3.603 5.687 -0.717) 6.770 2.881 ( 0.451 -4.794 0.391) 4.831 3.085 ( 8.153 -1.353 3.689) 9.050 3.182 ( 5.733 -3.273 -4.396) 7.932 3.453 ( 11.214 5.641 6.156) 13.981 3.608 ( 1.603 0.054 0.677) 1.740 3.722 ( -2.061 2.381 2.087) 3.778 3.772 ( -5.544 1.030 -1.065) 5.738 3.907 ( 3.717 1.136 2.573) 4.661 3.957 ( -3.219 2.546 -0.720) 4.166 4.202 ( 10.101 -1.127 -1.131) 10.226 4.320 ( 1.236 -1.026 0.875) 1.829 4.346 ( 3.393 -5.424 -4.589) 7.874 4.386 ( 3.408 -2.891 -0.145) 4.471 4.555 ( -5.043 3.281 -0.290) 6.023 4.597 ( 1.341 3.210 -2.146) 4.088 4.679 ( 0.554 0.452 -1.237) 1.429 4.720 ( -1.220 3.931 2.454) 4.792 4.826 ( -5.301 0.851 2.654) 5.989 4.879 ( -0.847 0.243 -0.609) 1.072 5.000 ( -3.246 -5.941 -0.189) 6.772 5.042 ( 3.155 -4.100 -0.476) 5.195 5.065 ( -0.892 -0.950 -1.832) 2.248 5.108 ( -0.887 -0.735 0.407) 1.221 5.291 ( -6.460 2.701 -1.357) 7.132 5.364 ( -3.195 1.848 -1.830) 4.119 5.459 ( -1.199 2.827 1.125) 3.270 5.506 ( 5.923 -7.036 1.325) 9.292 5.610 ( -1.676 -2.487 3.663) 4.734 5.820 ( 3.059 -5.361 -0.470) 6.190 5.834 ( -0.086 -0.800 4.443) 4.515 5.886 ( 3.407 1.722 1.614) 4.145 5.930 ( 1.847 -0.757 -1.880) 2.742 6.043 ( 2.257 6.724 0.604) 7.118 6.107 ( 0.821 -2.849 3.228) 4.383 6.154 ( -4.033 -1.424 -4.671) 6.333 6.295 ( -3.968 -4.361 -2.718) 6.492 6.434 ( -2.367 4.038 -1.301) 4.858 6.547 ( 9.717 14.119 -5.071) 17.874 6.702 ( 5.031 0.535 -3.372) 6.081 6.763 ( -2.660 -1.684 5.415) 6.264 6.846 ( -0.772 3.284 -3.268) 4.697 6.905 ( 0.990 -0.028 9.243) 9.296 6.982 ( -0.443 4.027 -6.955) 8.048 7.069 ( 3.213 -4.085 -3.639) 6.344 7.146 ( -2.100 0.130 3.161) 3.797 7.252 ( -6.112 -2.848 3.386) 7.545 7.292 ( 2.262 1.475 -0.426) 2.734 7.348 ( -2.407 -0.333 -3.966) 4.651 7.435 ( 2.210 1.854 0.214) 2.893 7.513 ( -1.379 0.944 0.293) 1.697 7.571 ( -3.535 -2.241 1.255) 4.369 7.666 ( 2.654 -0.652 -0.080) 2.734 7.726 ( -6.103 -3.672 4.136) 8.236 7.852 ( 1.753 -8.301 -1.258) 8.576 7.951 ( -1.117 2.543 0.840) 2.902 8.081 ( 1.272 -4.499 2.032) 5.098 8.276 ( 2.970 -3.929 0.759) 4.984 8.363 ( 6.380 6.028 -5.165) 10.184 8.455 ( -4.942 4.925 2.865) 7.542 8.677 ( 6.446 5.262 -1.364) 8.432 8.830 ( 5.074 -7.995 0.297) 9.474 8.892 ( -0.872 0.653 0.727) 1.310 8.927 ( -1.850 -2.521 -0.273) 3.139 9.118 ( 1.198 -2.022 0.842) 2.497 9.142 ( 4.257 1.325 0.169) 4.461 9.207 ( 1.364 1.990 -0.963) 2.598 9.243 ( -0.132 2.288 2.158) 3.148 9.316 ( -2.225 2.982 -3.883) 5.377 9.451 ( -0.699 -3.871 -1.093) 4.083 9.644 ( -1.191 3.078 0.902) 3.422 9.711 ( -0.231 -1.209 0.764) 1.449 9.826 ( 1.279 0.747 -0.146) 1.488 9.866 ( 0.727 -0.699 0.248) 1.039 10.972 ( -2.021 3.012 -1.004) 3.764 11.198 ( -1.309 -6.991 1.159) 7.206 11.578 ( 0.463 5.001 7.172) 8.756 11.605 ( 1.629 4.259 -3.079) 5.502 11.774 ( 0.909 0.777 -2.266) 2.562 11.868 ( 3.752 -1.997 -1.340) 4.457 11.881 ( 2.496 -0.924 -0.688) 2.749 11.904 ( -0.404 -3.533 -1.276) 3.778 12.051 ( 0.736 -0.219 0.630) 0.993 12.163 ( 2.320 -2.822 4.440) 5.750 12.259 ( -0.830 4.889 -1.225) 5.108 12.366 ( -0.990 0.663 0.029) 1.191 12.689 ( -2.846 2.491 -2.203) 4.377 12.809 ( -1.909 -3.295 -1.225) 4.000 12.869 ( 1.192 -0.147 -0.317) 1.242 12.944 ( 2.937 -1.865 0.575) 3.526 13.034 ( -2.312 4.468 -0.393) 5.046 13.191 ( -0.624 -2.361 0.709) 2.543 13.406 ( -4.933 1.434 0.158) 5.139 13.427 ( -1.707 0.668 0.433) 1.884 13.527 ( 2.060 2.972 1.229) 3.819 13.756 ( 0.126 -4.731 0.677) 4.781 13.962 ( 5.842 0.358 1.111) 5.957 14.016 ( 3.352 -1.012 -1.500) 3.809 14.257 ( -2.452 -0.942 -2.122) 3.377 14.412 ( 2.779 -10.181 2.034) 10.747 14.682 ( -1.555 1.199 -0.436) 2.012 14.826 ( 0.519 -5.325 0.310) 5.359 15.008 ( -0.035 4.465 -0.715) 4.522 15.025 ( -4.087 2.205 -1.151) 4.785 15.075 ( -2.528 2.743 -0.584) 3.775 15.098 ( -5.750 1.514 -1.290) 6.084 15.322 ( -3.755 13.658 -2.407) 14.367 15.507 ( -0.485 0.432 1.059) 1.243 15.638 ( -0.854 -0.480 0.048) 0.981 15.741 ( -2.532 -6.076 -0.953) 6.651 15.996 ( -0.148 -0.439 1.356) 1.433 16.162 ( 2.755 -4.328 2.298) 5.622 16.256 ( -2.316 0.785 13.441) 13.661 16.277 ( 0.223 -0.991 -3.439) 3.586 16.587 ( -1.669 -0.974 -3.496) 3.994 16.675 ( -1.956 -3.288 -4.496) 5.903 17.118 ( 0.537 6.040 -1.559) 6.261 17.196 ( -1.330 2.746 0.574) 3.105 17.550 ( -1.633 -1.088 0.084) 1.964 17.580 ( -0.966 -1.812 0.075) 2.055 17.697 ( -0.762 0.441 0.248) 0.915 17.759 ( 0.286 -1.373 -0.069) 1.405 17.873 ( -0.095 1.773 -0.162) 1.783 17.947 ( 0.882 0.759 -2.810) 3.042 17.976 ( 1.204 1.297 -3.590) 4.002 18.006 ( -2.001 5.194 3.343) 6.493 18.169 ( -0.148 -8.593 1.859) 8.793 18.299 ( -0.021 -5.213 -0.377) 5.226 18.393 ( -2.184 2.898 0.978) 3.758 18.514 ( 0.384 5.596 0.395) 5.623 18.577 ( -2.880 -3.336 0.482) 4.434 18.692 ( -1.078 -1.792 0.783) 2.234 19.174 ( -0.107 1.401 -0.950) 1.696 19.201 ( 0.447 0.025 -0.195) 0.488 22.017 ( -0.018 1.314 -0.124) 1.320 22.035 ( -0.123 1.963 0.190) 1.976 22.067 ( -0.537 -0.659 -0.329) 0.912 22.163 ( -0.955 -2.860 0.195) 3.021 22.598 ( -0.579 0.726 0.120) 0.936 22.601 ( -0.581 0.506 -1.055) 1.306 22.652 ( 0.366 0.208 0.249) 0.489 22.684 ( -0.505 -0.952 0.996) 1.467 27.241 ( 0.546 -1.304 -0.341) 1.454 27.257 ( 0.132 -2.482 -0.240) 2.497 27.394 ( 0.512 2.829 0.093) 2.876 27.433 ( 0.434 0.936 0.350) 1.090 27.652 ( 0.194 0.639 -0.399) 0.778 27.689 ( 0.418 -0.553 -0.662) 0.959 27.751 ( -0.492 0.479 0.963) 1.183 27.769 ( -0.090 -0.219 0.525) 0.576 35.720 ( 0.103 1.470 0.429) 1.535 35.838 ( 1.595 5.868 0.589) 6.109 36.008 ( -0.807 -11.394 -0.526) 11.435 36.119 ( 2.047 -5.846 0.038) 6.194 36.620 ( 1.903 12.954 -1.460) 13.174 36.870 ( 6.700 7.399 0.042) 9.982 37.112 ( -6.614 -3.823 1.346) 7.758 37.289 ( -3.796 -3.475 -1.368) 5.325 37.907 ( 1.226 4.912 -0.020) 5.063 38.456 ( 2.488 -18.171 -0.123) 18.341 38.511 ( -0.083 2.543 -0.425) 2.580 38.785 ( 2.046 -11.681 -1.218) 11.922 39.128 ( 3.623 15.373 0.847) 15.817 39.694 ( 4.053 -8.724 2.430) 9.922 39.972 ( 1.336 23.078 -0.528) 23.123 40.751 ( -0.665 -10.828 -1.991) 11.030 ======================= Grid point 22 (13/84) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 0.000 -27.803 0.000) 27.803 1.467 ( 0.000 27.803 0.000) 27.803 1.925 ( 0.000 -39.882 0.000) 39.882 1.925 ( 0.000 39.882 0.000) 39.882 2.611 ( 0.000 -36.526 0.000) 36.526 2.611 ( 0.000 36.526 0.000) 36.526 2.809 ( 0.000 -3.983 0.000) 3.983 2.809 ( 0.000 3.983 0.000) 3.983 3.269 ( 0.000 -14.759 0.000) 14.759 3.269 ( 0.000 14.759 0.000) 14.759 3.723 ( 0.000 -6.357 0.000) 6.357 3.723 ( 0.000 6.357 0.000) 6.357 3.878 ( 0.000 -3.100 0.000) 3.100 3.878 ( 0.000 3.100 0.000) 3.100 4.127 ( 0.000 -2.348 0.000) 2.348 4.127 ( 0.000 2.348 0.000) 2.348 4.356 ( 0.000 -8.898 0.000) 8.898 4.356 ( 0.000 8.898 0.000) 8.898 4.615 ( 0.000 -3.400 0.000) 3.400 4.615 ( 0.000 3.400 0.000) 3.400 4.738 ( 0.000 -3.303 0.000) 3.303 4.738 ( 0.000 3.303 0.000) 3.303 4.936 ( 0.000 -17.112 0.000) 17.112 4.936 ( 0.000 17.112 0.000) 17.112 5.060 ( 0.000 -13.230 0.000) 13.230 5.060 ( 0.000 13.230 0.000) 13.230 5.268 ( 0.000 -2.914 0.000) 2.914 5.268 ( 0.000 2.914 0.000) 2.914 5.471 ( 0.000 -1.472 0.000) 1.472 5.471 ( 0.000 1.472 0.000) 1.472 5.646 ( 0.000 -4.021 0.000) 4.021 5.646 ( 0.000 4.021 0.000) 4.021 5.711 ( 0.000 -3.243 0.000) 3.243 5.711 ( 0.000 3.243 0.000) 3.243 5.901 ( 0.000 -7.136 0.000) 7.136 5.901 ( 0.000 7.136 0.000) 7.136 6.132 ( 0.000 -0.219 0.000) 0.219 6.132 ( 0.000 0.219 0.000) 0.219 6.251 ( 0.000 -3.628 0.000) 3.628 6.251 ( 0.000 3.628 0.000) 3.628 6.523 ( 0.000 -1.901 0.000) 1.901 6.523 ( 0.000 1.901 0.000) 1.901 6.695 ( 0.000 -5.067 0.000) 5.067 6.695 ( 0.000 5.067 0.000) 5.067 6.843 ( 0.000 -2.400 0.000) 2.400 6.843 ( 0.000 2.400 0.000) 2.400 7.168 ( 0.000 -4.039 0.000) 4.039 7.168 ( 0.000 4.039 0.000) 4.039 7.339 ( 0.000 -0.287 0.000) 0.287 7.339 ( 0.000 0.287 0.000) 0.287 7.598 ( 0.000 -0.429 0.000) 0.429 7.598 ( 0.000 0.429 0.000) 0.429 7.653 ( 0.000 -0.179 0.000) 0.179 7.653 ( 0.000 0.179 0.000) 0.179 7.703 ( 0.000 -6.104 0.000) 6.104 7.703 ( 0.000 6.104 0.000) 6.104 7.819 ( 0.000 -1.592 0.000) 1.592 7.819 ( 0.000 1.592 0.000) 1.592 8.239 ( 0.000 -2.402 0.000) 2.402 8.239 ( 0.000 2.402 0.000) 2.402 8.465 ( 0.000 -5.123 0.000) 5.123 8.465 ( 0.000 5.123 0.000) 5.123 8.587 ( 0.000 -5.556 0.000) 5.556 8.587 ( 0.000 5.556 0.000) 5.556 8.707 ( 0.000 -9.122 0.000) 9.122 8.707 ( 0.000 9.122 0.000) 9.122 8.960 ( 0.000 -3.913 0.000) 3.913 8.960 ( 0.000 3.913 0.000) 3.913 9.248 ( 0.000 -1.997 0.000) 1.997 9.248 ( 0.000 1.997 0.000) 1.997 9.503 ( 0.000 -0.705 0.000) 0.705 9.503 ( 0.000 0.705 0.000) 0.705 9.866 ( 0.000 -1.740 0.000) 1.740 9.866 ( 0.000 1.740 0.000) 1.740 9.960 ( 0.000 -5.262 0.000) 5.262 9.960 ( 0.000 5.262 0.000) 5.262 10.782 ( 0.000 -0.385 0.000) 0.385 10.782 ( 0.000 0.385 0.000) 0.385 11.272 ( 0.000 -2.705 0.000) 2.705 11.272 ( 0.000 2.705 0.000) 2.705 11.657 ( 0.000 -1.607 0.000) 1.607 11.657 ( 0.000 1.607 0.000) 1.607 11.809 ( 0.000 -2.140 0.000) 2.140 11.809 ( 0.000 2.140 0.000) 2.140 12.123 ( 0.000 -3.513 0.000) 3.513 12.123 ( 0.000 3.513 0.000) 3.513 12.274 ( 0.000 -1.091 0.000) 1.091 12.274 ( 0.000 1.091 0.000) 1.091 12.754 ( 0.000 -1.358 0.000) 1.358 12.754 ( 0.000 1.358 0.000) 1.358 12.968 ( 0.000 -3.973 0.000) 3.973 12.968 ( 0.000 3.973 0.000) 3.973 13.044 ( 0.000 -4.654 0.000) 4.654 13.044 ( 0.000 4.654 0.000) 4.654 13.415 ( 0.000 -3.133 0.000) 3.133 13.415 ( 0.000 3.133 0.000) 3.133 13.905 ( 0.000 -0.947 0.000) 0.947 13.905 ( 0.000 0.947 0.000) 0.947 14.140 ( 0.000 -0.820 0.000) 0.820 14.140 ( 0.000 0.820 0.000) 0.820 14.292 ( 0.000 -4.401 0.000) 4.401 14.292 ( 0.000 4.401 0.000) 4.401 14.634 ( 0.000 -0.524 0.000) 0.524 14.634 ( 0.000 0.524 0.000) 0.524 14.994 ( 0.000 -1.508 0.000) 1.508 14.994 ( 0.000 1.508 0.000) 1.508 15.321 ( 0.000 -11.008 0.000) 11.008 15.321 ( 0.000 11.008 0.000) 11.008 15.738 ( 0.000 -11.042 0.000) 11.042 15.738 ( 0.000 11.042 0.000) 11.042 15.969 ( 0.000 -2.321 0.000) 2.321 15.969 ( 0.000 2.321 0.000) 2.321 16.304 ( 0.000 -4.913 0.000) 4.913 16.304 ( 0.000 4.913 0.000) 4.913 16.618 ( 0.000 -1.507 0.000) 1.507 16.618 ( 0.000 1.507 0.000) 1.507 16.974 ( 0.000 -1.203 0.000) 1.203 16.974 ( 0.000 1.203 0.000) 1.203 17.364 ( 0.000 -5.120 0.000) 5.120 17.364 ( 0.000 5.120 0.000) 5.120 17.501 ( 0.000 -4.760 0.000) 4.760 17.501 ( 0.000 4.760 0.000) 4.760 17.819 ( 0.000 -1.644 0.000) 1.644 17.819 ( 0.000 1.644 0.000) 1.644 17.958 ( 0.000 -0.032 0.000) 0.032 17.958 ( 0.000 0.032 0.000) 0.032 18.047 ( 0.000 -0.217 0.000) 0.217 18.047 ( 0.000 0.217 0.000) 0.217 18.566 ( 0.000 -2.424 0.000) 2.424 18.566 ( 0.000 2.424 0.000) 2.424 18.813 ( 0.000 -5.051 0.000) 5.051 18.813 ( 0.000 5.051 0.000) 5.051 18.917 ( 0.000 -0.741 0.000) 0.741 18.917 ( 0.000 0.741 0.000) 0.741 19.165 ( 0.000 -2.367 0.000) 2.367 19.165 ( 0.000 2.367 0.000) 2.367 22.115 ( 0.000 -3.336 0.000) 3.336 22.115 ( 0.000 3.336 0.000) 3.336 22.309 ( 0.000 -1.644 0.000) 1.644 22.309 ( 0.000 1.644 0.000) 1.644 22.582 ( 0.000 -0.001 0.000) 0.001 22.582 ( 0.000 0.001 0.000) 0.001 22.758 ( 0.000 -1.691 0.000) 1.691 22.758 ( 0.000 1.691 0.000) 1.691 27.205 ( 0.000 -0.768 0.000) 0.768 27.205 ( 0.000 0.768 0.000) 0.768 27.267 ( 0.000 -0.168 0.000) 0.168 27.267 ( 0.000 0.168 0.000) 0.168 27.607 ( 0.000 -0.157 0.000) 0.157 27.607 ( 0.000 0.157 0.000) 0.157 27.736 ( 0.000 -0.105 0.000) 0.105 27.736 ( 0.000 0.105 0.000) 0.105 35.616 ( 0.000 -1.306 0.000) 1.306 35.616 ( 0.000 1.306 0.000) 1.306 35.916 ( 0.000 -2.430 0.000) 2.430 35.916 ( 0.000 2.430 0.000) 2.430 36.635 ( 0.000 -16.257 0.000) 16.257 36.635 ( 0.000 16.257 0.000) 16.257 37.453 ( 0.000 -1.376 0.000) 1.376 37.453 ( 0.000 1.376 0.000) 1.376 37.740 ( 0.000 -2.329 0.000) 2.329 37.740 ( 0.000 2.329 0.000) 2.329 38.014 ( 0.000 -5.110 0.000) 5.110 38.014 ( 0.000 5.110 0.000) 5.110 39.074 ( 0.000 -14.845 0.000) 14.845 39.074 ( 0.000 14.845 0.000) 14.845 40.050 ( 0.000 -3.263 0.000) 3.263 40.050 ( 0.000 3.263 0.000) 3.263 ======================= Grid point 24 (14/84) ======================= q-point: ( 0.09 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 9.684 -18.582 -0.959) 20.976 1.551 ( 9.684 18.582 -0.959) 20.976 1.983 ( 4.413 -23.445 9.799) 25.791 1.983 ( 4.413 23.445 9.799) 25.791 2.745 ( 8.455 -14.152 -8.140) 18.385 2.745 ( 8.455 14.152 -8.140) 18.385 2.929 ( 11.850 -11.456 5.762) 17.460 2.929 ( 11.850 11.456 5.762) 17.460 3.345 ( 12.289 -26.787 -0.308) 29.473 3.345 ( 12.289 26.787 -0.308) 29.473 3.726 ( -0.214 -5.507 7.278) 9.129 3.726 ( -0.214 5.507 7.278) 9.129 3.948 ( 6.482 -2.512 -7.477) 10.209 3.948 ( 6.482 2.512 -7.477) 10.209 4.187 ( 4.121 -7.213 0.133) 8.309 4.187 ( 4.121 7.213 0.133) 8.309 4.353 ( 1.804 -10.455 -3.039) 11.036 4.353 ( 1.804 10.455 -3.039) 11.036 4.615 ( 0.166 -3.757 0.417) 3.784 4.615 ( 0.166 3.757 0.417) 3.784 4.727 ( 1.456 -0.488 -2.693) 3.099 4.727 ( 1.456 0.488 -2.693) 3.099 4.937 ( 0.144 -11.341 -0.105) 11.343 4.937 ( 0.144 11.341 -0.105) 11.343 5.070 ( 1.925 -7.536 -3.542) 8.546 5.070 ( 1.925 7.536 -3.542) 8.546 5.229 ( -3.305 -5.229 -5.059) 7.991 5.229 ( -3.305 5.229 -5.059) 7.991 5.476 ( -1.308 -2.499 3.897) 4.810 5.476 ( -1.308 2.499 3.897) 4.810 5.626 ( -0.919 -4.360 3.580) 5.716 5.626 ( -0.919 4.360 3.580) 5.716 5.765 ( 4.480 -2.522 1.497) 5.354 5.765 ( 4.480 2.522 1.497) 5.354 5.869 ( -1.198 -4.548 -2.239) 5.209 5.869 ( -1.198 4.548 -2.239) 5.209 6.090 ( -4.011 -2.857 4.178) 6.458 6.090 ( -4.011 2.857 4.178) 6.458 6.287 ( 1.596 -7.824 1.285) 8.088 6.287 ( 1.596 7.824 1.285) 8.088 6.558 ( -0.282 -5.937 2.769) 6.557 6.558 ( -0.282 5.937 2.769) 6.557 6.695 ( 2.499 -0.616 1.948) 3.228 6.695 ( 2.499 0.616 1.948) 3.228 6.945 ( 6.578 -3.419 2.136) 7.715 6.945 ( 6.578 3.419 2.136) 7.715 7.156 ( -2.748 -3.405 3.052) 5.335 7.156 ( -2.748 3.405 3.052) 5.335 7.319 ( -2.880 -1.931 4.412) 5.612 7.319 ( -2.880 1.931 4.412) 5.612 7.523 ( -3.498 -4.899 -0.218) 6.023 7.523 ( -3.498 4.899 -0.218) 6.023 7.617 ( -0.826 -4.934 -7.084) 8.672 7.617 ( -0.826 4.934 -7.084) 8.672 7.725 ( 3.615 -2.252 -7.275) 8.430 7.725 ( 3.615 2.252 -7.275) 8.430 7.861 ( 0.569 -3.567 4.623) 5.867 7.861 ( 0.569 3.567 4.623) 5.867 8.233 ( -0.727 -4.419 -1.514) 4.728 8.233 ( -0.727 4.419 -1.514) 4.728 8.465 ( 0.773 -5.872 -6.302) 8.648 8.465 ( 0.773 5.872 -6.302) 8.648 8.545 ( -4.251 -7.777 4.860) 10.107 8.545 ( -4.251 7.777 4.860) 10.107 8.726 ( 2.350 -10.329 -1.807) 10.746 8.726 ( 2.350 10.329 -1.807) 10.746 8.954 ( -0.916 -4.418 3.589) 5.765 8.954 ( -0.916 4.418 3.589) 5.765 9.249 ( 0.452 -1.774 -1.611) 2.438 9.249 ( 0.452 1.774 -1.611) 2.438 9.488 ( -1.692 -1.717 0.687) 2.506 9.488 ( -1.692 1.717 0.687) 2.506 9.854 ( -2.043 -2.514 1.994) 3.804 9.854 ( -2.043 2.514 1.994) 3.804 9.923 ( -2.710 -4.808 -2.753) 6.167 9.923 ( -2.710 4.808 -2.753) 6.167 10.887 ( 10.487 -0.316 -1.560) 10.607 10.887 ( 10.487 0.316 -1.560) 10.607 11.282 ( 1.111 -2.643 0.871) 2.996 11.282 ( 1.111 2.643 0.871) 2.996 11.626 ( -3.383 -1.564 1.227) 3.924 11.626 ( -3.383 1.564 1.227) 3.924 11.855 ( 3.213 -1.142 2.970) 4.522 11.855 ( 3.213 1.142 2.970) 4.522 12.095 ( -2.045 -4.049 -2.344) 5.106 12.095 ( -2.045 4.049 -2.344) 5.106 12.276 ( 0.799 -0.723 -0.913) 1.412 12.276 ( 0.799 0.723 -0.913) 1.412 12.730 ( -1.712 -0.603 -0.433) 1.866 12.730 ( -1.712 0.603 -0.433) 1.866 12.991 ( 1.715 -5.348 0.643) 5.653 12.991 ( 1.715 5.348 0.643) 5.653 13.081 ( 3.727 -6.870 0.037) 7.816 13.081 ( 3.727 6.870 0.037) 7.816 13.423 ( -0.092 -1.562 2.028) 2.562 13.423 ( -0.092 1.562 2.028) 2.562 13.864 ( -3.489 -4.337 -2.610) 6.148 13.864 ( -3.489 4.337 -2.610) 6.148 14.102 ( -4.705 -1.271 -1.378) 5.065 14.102 ( -4.705 1.271 -1.378) 5.065 14.277 ( -1.046 -3.668 0.148) 3.817 14.277 ( -1.046 3.668 0.148) 3.817 14.622 ( 1.134 -2.934 -2.927) 4.297 14.622 ( 1.134 2.934 -2.927) 4.297 15.065 ( 6.844 -1.916 1.294) 7.224 15.065 ( 6.844 1.916 1.294) 7.224 15.289 ( -2.373 -9.554 -1.903) 10.027 15.289 ( -2.373 9.554 -1.903) 10.027 15.700 ( -4.676 -10.876 3.548) 12.359 15.700 ( -4.676 10.876 3.548) 12.359 15.954 ( -0.786 -3.369 -2.220) 4.110 15.954 ( -0.786 3.369 -2.220) 4.110 16.283 ( -2.820 -6.401 1.319) 7.118 16.283 ( -2.820 6.401 1.319) 7.118 16.540 ( -7.157 -3.461 1.932) 8.182 16.540 ( -7.157 3.461 1.932) 8.182 17.034 ( 0.725 -3.302 0.818) 3.478 17.034 ( 0.725 3.302 0.818) 3.478 17.216 ( -5.760 -3.977 -6.762) 9.732 17.216 ( -5.760 3.977 -6.762) 9.732 17.615 ( 4.783 -0.885 5.165) 7.095 17.615 ( 4.783 0.885 5.165) 7.095 17.848 ( 2.815 -1.535 -1.300) 3.460 17.848 ( 2.815 1.535 -1.300) 3.460 17.959 ( 1.110 -0.550 -1.247) 1.758 17.959 ( 1.110 0.550 -1.247) 1.758 18.087 ( 2.532 -1.328 2.097) 3.546 18.087 ( 2.532 1.328 2.097) 3.546 18.446 ( -12.036 -3.026 2.581) 12.676 18.446 ( -12.036 3.026 2.581) 12.676 18.759 ( -5.114 -5.035 1.035) 7.251 18.759 ( -5.114 5.035 1.035) 7.251 18.898 ( -2.624 -1.629 0.164) 3.093 18.898 ( -2.624 1.629 0.164) 3.093 19.169 ( 1.367 -1.231 -3.636) 4.075 19.169 ( 1.367 1.231 -3.636) 4.075 22.102 ( -0.728 -2.677 -1.432) 3.122 22.102 ( -0.728 2.677 -1.432) 3.122 22.283 ( -3.041 -4.534 1.501) 5.662 22.283 ( -3.041 4.534 1.501) 5.662 22.596 ( 0.773 -0.671 1.950) 2.203 22.596 ( 0.773 0.671 1.950) 2.203 22.750 ( -1.024 -1.359 0.097) 1.704 22.750 ( -1.024 1.359 0.097) 1.704 27.207 ( 0.275 -0.599 -0.468) 0.809 27.207 ( 0.275 0.599 -0.468) 0.809 27.285 ( 1.650 -0.397 0.501) 1.770 27.285 ( 1.650 0.397 0.501) 1.770 27.616 ( 1.222 -0.200 -1.110) 1.662 27.616 ( 1.222 0.200 -1.110) 1.662 27.744 ( 0.065 -0.190 2.451) 2.459 27.744 ( 0.065 0.190 2.451) 2.459 35.637 ( 2.002 -1.940 0.857) 2.917 35.637 ( 2.002 1.940 0.857) 2.917 35.904 ( -1.331 -4.862 0.716) 5.092 35.904 ( -1.331 4.862 0.716) 5.092 36.610 ( -0.320 -11.579 -4.672) 12.490 36.610 ( -0.320 11.579 -4.672) 12.490 37.506 ( 4.636 -9.931 -0.820) 10.991 37.506 ( 4.636 9.931 -0.820) 10.991 37.713 ( 0.177 -7.289 -3.340) 8.019 37.713 ( 0.177 7.289 -3.340) 8.019 38.178 ( 13.133 -6.039 6.115) 15.695 38.178 ( 13.133 6.039 6.115) 15.695 38.927 ( -7.863 -12.739 -11.202) 18.697 38.927 ( -7.863 12.739 -11.202) 18.697 40.205 ( 11.389 -23.776 0.802) 26.375 40.205 ( 11.389 23.776 0.802) 26.375 ======================= Grid point 26 (15/84) ======================= q-point: ( 0.18 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 18.697 -8.335 1.210) 20.506 1.820 ( 18.697 8.335 1.210) 20.506 2.177 ( 10.479 -4.539 6.552) 13.166 2.177 ( 10.479 4.539 6.552) 13.166 2.815 ( 3.462 -9.181 -0.891) 9.852 2.815 ( 3.462 9.181 -0.891) 9.852 3.094 ( 4.032 -6.635 1.369) 7.884 3.094 ( 4.032 6.635 1.369) 7.884 3.730 ( 10.861 -4.188 -4.244) 12.390 3.730 ( 10.861 4.188 -4.244) 12.390 3.800 ( 15.210 -17.459 4.020) 23.502 3.800 ( 15.210 17.459 4.020) 23.502 4.043 ( 8.774 -8.910 -2.347) 12.723 4.043 ( 8.774 8.910 -2.347) 12.723 4.259 ( 1.557 -3.665 4.877) 6.296 4.259 ( 1.557 3.665 4.877) 6.296 4.336 ( 0.954 -8.103 -7.668) 11.196 4.336 ( 0.954 8.103 -7.668) 11.196 4.638 ( 1.975 -4.352 -0.149) 4.782 4.638 ( 1.975 4.352 -0.149) 4.782 4.809 ( 5.244 -2.549 0.243) 5.836 4.809 ( 5.244 2.549 0.243) 5.836 4.901 ( -2.362 -4.489 -0.098) 5.073 4.901 ( -2.362 4.489 -0.098) 5.073 5.127 ( 1.099 -3.820 3.225) 5.119 5.127 ( 1.099 3.820 3.225) 5.119 5.173 ( 6.209 -4.267 -9.564) 12.175 5.173 ( 6.209 4.267 -9.564) 12.175 5.448 ( -1.785 -5.260 4.052) 6.876 5.448 ( -1.785 5.260 4.052) 6.876 5.664 ( -2.133 -2.031 1.245) 3.198 5.664 ( -2.133 2.031 1.245) 3.198 5.787 ( 3.086 -4.388 0.117) 5.366 5.787 ( 3.086 4.388 0.117) 5.366 5.940 ( 6.921 -1.731 0.895) 7.190 5.940 ( 6.921 1.731 0.895) 7.190 6.065 ( -0.212 -3.923 0.533) 3.964 6.065 ( -0.212 3.923 0.533) 3.964 6.307 ( -0.097 -7.153 2.155) 7.471 6.307 ( -0.097 7.153 2.155) 7.471 6.481 ( -6.379 -4.786 -0.555) 7.994 6.481 ( -6.379 4.786 -0.555) 7.994 6.781 ( 0.258 -6.437 3.162) 7.176 6.781 ( 0.258 6.437 3.162) 7.176 7.019 ( 1.641 -6.943 4.285) 8.322 7.019 ( 1.641 6.943 4.285) 8.322 7.152 ( 1.787 -3.217 3.284) 4.932 7.152 ( 1.787 3.217 3.284) 4.932 7.287 ( -2.580 -1.139 0.325) 2.839 7.287 ( -2.580 1.139 0.325) 2.839 7.465 ( -3.309 -1.430 2.128) 4.186 7.465 ( -3.309 1.430 2.128) 4.186 7.611 ( 1.163 -4.813 0.415) 4.969 7.611 ( 1.163 4.813 0.415) 4.969 7.750 ( 0.522 -4.416 -4.693) 6.465 7.750 ( 0.522 4.416 -4.693) 6.465 7.864 ( 1.255 -3.637 -3.269) 5.049 7.864 ( 1.255 3.637 -3.269) 5.049 8.182 ( -3.555 -5.156 -2.084) 6.601 8.182 ( -3.555 5.156 -2.084) 6.601 8.407 ( -1.794 -7.391 -7.089) 10.397 8.407 ( -1.794 7.391 -7.089) 10.397 8.533 ( 0.201 -6.506 3.792) 7.533 8.533 ( 0.201 6.506 3.792) 7.533 8.781 ( 4.861 -11.338 -1.529) 12.430 8.781 ( 4.861 11.338 -1.529) 12.430 8.971 ( -0.022 -4.233 4.005) 5.827 8.971 ( -0.022 4.233 4.005) 5.827 9.247 ( 0.156 -1.176 -1.331) 1.783 9.247 ( 0.156 1.176 -1.331) 1.783 9.455 ( -2.091 -2.458 0.992) 3.376 9.455 ( -2.091 2.458 0.992) 3.376 9.802 ( -3.526 -4.184 -1.345) 5.635 9.802 ( -3.526 4.184 -1.345) 5.635 9.861 ( -2.660 -3.996 0.005) 4.801 9.861 ( -2.660 3.996 0.005) 4.801 11.090 ( 10.247 -1.484 -0.892) 10.392 11.090 ( 10.247 1.484 -0.892) 10.392 11.330 ( 3.277 -1.871 2.291) 4.415 11.330 ( 3.277 1.871 2.291) 4.415 11.568 ( -2.376 -0.476 0.795) 2.550 11.568 ( -2.376 0.476 0.795) 2.550 11.913 ( 1.327 -0.732 -0.409) 1.570 11.913 ( 1.327 0.732 -0.409) 1.570 12.048 ( -1.389 -4.792 -0.756) 5.047 12.048 ( -1.389 4.792 -0.756) 5.047 12.298 ( 1.524 -0.498 0.283) 1.628 12.298 ( 1.524 0.498 0.283) 1.628 12.711 ( 0.423 -0.247 -0.718) 0.869 12.711 ( 0.423 0.247 -0.718) 0.869 13.018 ( 1.179 -5.439 -2.016) 5.919 13.018 ( 1.179 5.439 -2.016) 5.919 13.166 ( 3.945 -7.454 3.256) 9.041 13.166 ( 3.945 7.454 3.256) 9.041 13.415 ( -1.891 -4.120 1.123) 4.670 13.415 ( -1.891 4.120 1.123) 4.670 13.773 ( -3.781 -5.157 -2.771) 6.969 13.773 ( -3.781 5.157 -2.771) 6.969 13.958 ( -7.843 -2.717 -2.908) 8.795 13.958 ( -7.843 2.717 -2.908) 8.795 14.284 ( 0.786 -3.454 1.973) 4.055 14.284 ( 0.786 3.454 1.973) 4.055 14.664 ( 4.128 -3.459 -2.071) 5.771 14.664 ( 4.128 3.459 -2.071) 5.771 15.193 ( 0.807 -9.000 -2.248) 9.311 15.193 ( 0.807 9.000 -2.248) 9.311 15.260 ( 4.835 -2.053 0.319) 5.263 15.260 ( 4.835 2.053 0.319) 5.263 15.623 ( -5.829 -7.370 6.486) 11.417 15.623 ( -5.829 7.370 6.486) 11.417 15.923 ( -0.811 -3.188 -3.894) 5.097 15.923 ( -0.811 3.188 -3.894) 5.097 16.203 ( -7.858 -4.066 3.226) 9.418 16.203 ( -7.858 4.066 3.226) 9.418 16.395 ( -8.783 -4.792 1.810) 10.167 16.395 ( -8.783 4.792 1.810) 10.167 16.931 ( -6.279 -1.069 -4.580) 7.846 16.931 ( -6.279 1.069 -4.580) 7.846 17.181 ( 1.197 -3.616 -2.145) 4.372 17.181 ( 1.197 3.616 -2.145) 4.372 17.684 ( 0.747 -0.918 2.835) 3.072 17.684 ( 0.747 0.918 2.835) 3.072 17.886 ( 2.293 -4.103 -3.159) 5.663 17.886 ( 2.293 4.103 -3.159) 5.663 17.974 ( -1.302 -1.931 -1.547) 2.796 17.974 ( -1.302 1.931 -1.547) 2.796 18.082 ( -6.833 -2.458 6.703) 9.882 18.082 ( -6.833 2.458 6.703) 9.882 18.274 ( -3.298 -1.507 -0.529) 3.664 18.274 ( -3.298 1.507 -0.529) 3.664 18.650 ( -6.808 -4.024 1.581) 8.064 18.650 ( -6.808 4.024 1.581) 8.064 18.830 ( -4.898 -1.732 1.868) 5.521 18.830 ( -4.898 1.732 1.868) 5.521 19.177 ( 1.722 -0.639 -4.296) 4.672 19.177 ( 1.722 0.639 -4.296) 4.672 22.081 ( -0.701 -2.194 -1.323) 2.656 22.081 ( -0.701 2.194 -1.323) 2.656 22.224 ( -3.804 -4.981 1.159) 6.374 22.224 ( -3.804 4.981 1.159) 6.374 22.621 ( 0.692 -1.334 2.068) 2.556 22.621 ( 0.692 1.334 2.068) 2.556 22.721 ( -1.988 -0.957 0.034) 2.207 22.721 ( -1.988 0.957 0.034) 2.207 27.210 ( 0.449 -0.466 -0.964) 1.161 27.210 ( 0.449 0.466 -0.964) 1.161 27.326 ( 2.283 -0.660 0.667) 2.468 27.326 ( 2.283 0.660 0.667) 2.468 27.636 ( 1.635 -0.035 -1.488) 2.210 27.636 ( 1.635 0.035 -1.488) 2.210 27.758 ( -0.324 -0.302 3.173) 3.203 27.758 ( -0.324 0.302 3.173) 3.203 35.697 ( 3.680 -3.041 1.185) 4.919 35.697 ( 3.680 3.041 1.185) 4.919 35.883 ( -1.025 -6.879 0.546) 6.976 35.883 ( -1.025 6.879 0.546) 6.976 36.602 ( 2.435 -5.631 -5.215) 8.052 36.602 ( 2.435 5.631 -5.215) 8.052 37.555 ( -0.377 -9.117 0.291) 9.130 37.555 ( -0.377 9.117 0.291) 9.130 37.756 ( 6.577 -11.264 -3.827) 13.593 37.756 ( 6.577 11.264 -3.827) 13.593 38.464 ( 10.780 -7.813 5.470) 14.393 38.464 ( 10.780 7.813 5.470) 14.393 38.804 ( 2.952 -9.428 -6.313) 11.724 38.804 ( 2.952 9.428 -6.313) 11.724 40.368 ( 6.530 -28.331 -3.803) 29.322 40.368 ( 6.530 28.331 -3.803) 29.322 ======================= Grid point 28 (16/84) ======================= q-point: ( 0.27 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 18.087 -8.037 0.540) 19.799 2.197 ( 18.087 8.037 0.540) 19.799 2.396 ( 11.298 -11.302 4.195) 16.522 2.396 ( 11.298 11.302 4.195) 16.522 2.875 ( 3.076 -3.179 -2.744) 5.206 2.875 ( 3.076 3.179 -2.744) 5.206 3.190 ( 7.280 -11.296 4.773) 14.261 3.190 ( 7.280 11.296 4.773) 14.261 3.758 ( 0.421 -2.468 0.237) 2.515 3.758 ( 0.421 2.468 0.237) 2.515 4.023 ( 2.807 -1.672 -1.949) 3.804 4.023 ( 2.807 1.672 -1.949) 3.804 4.113 ( -3.487 -6.424 -0.223) 7.313 4.113 ( -3.487 6.424 -0.223) 7.313 4.253 ( 3.803 -3.166 -0.296) 4.957 4.253 ( 3.803 3.166 -0.296) 4.957 4.544 ( 14.588 -4.818 -6.281) 16.597 4.544 ( 14.588 4.818 -6.281) 16.597 4.713 ( 6.825 -3.126 2.136) 7.805 4.713 ( 6.825 3.126 2.136) 7.805 4.834 ( 0.676 -4.962 -0.016) 5.008 4.834 ( 0.676 4.962 -0.016) 5.008 4.904 ( 0.553 -3.026 3.356) 4.552 4.904 ( 0.553 3.026 3.356) 4.552 5.147 ( 0.081 -3.701 1.137) 3.872 5.147 ( 0.081 3.701 1.137) 3.872 5.283 ( 4.490 -7.331 0.052) 8.597 5.283 ( 4.490 7.331 0.052) 8.597 5.500 ( 4.485 -7.339 1.103) 8.672 5.500 ( 4.485 7.339 1.103) 8.672 5.579 ( -2.452 -3.202 -1.585) 4.333 5.579 ( -2.452 3.202 -1.585) 4.333 5.844 ( 1.292 -5.270 -1.367) 5.596 5.844 ( 1.292 5.270 -1.367) 5.596 6.049 ( -0.104 -4.722 3.249) 5.733 6.049 ( -0.104 4.722 3.249) 5.733 6.129 ( 4.527 -4.899 -2.848) 7.253 6.129 ( 4.527 4.899 -2.848) 7.253 6.242 ( -1.411 -2.412 1.744) 3.294 6.242 ( -1.411 2.412 1.744) 3.294 6.442 ( 2.630 -3.417 -2.736) 5.107 6.442 ( 2.630 3.417 -2.736) 5.107 6.745 ( -2.333 -5.589 3.988) 7.252 6.745 ( -2.333 5.589 3.988) 7.252 7.081 ( 1.255 -3.145 -0.547) 3.430 7.081 ( 1.255 3.145 -0.547) 3.430 7.189 ( -0.693 -5.043 0.267) 5.098 7.189 ( -0.693 5.043 0.267) 5.098 7.272 ( 3.752 -4.414 -0.300) 5.801 7.272 ( 3.752 4.414 -0.300) 5.801 7.426 ( -3.876 -3.221 5.140) 7.198 7.426 ( -3.876 3.221 5.140) 7.198 7.585 ( -5.914 -2.677 1.066) 6.579 7.585 ( -5.914 2.677 1.066) 6.579 7.692 ( -2.558 -2.345 1.308) 3.708 7.692 ( -2.558 2.345 1.308) 3.708 7.915 ( 4.643 -3.103 -2.919) 6.302 7.915 ( 4.643 3.103 -2.919) 6.302 8.098 ( -3.840 -4.860 -1.657) 6.411 8.098 ( -3.840 4.860 -1.657) 6.411 8.364 ( 2.135 -1.169 -8.401) 8.746 8.364 ( 2.135 1.169 -8.401) 8.746 8.581 ( 2.898 -2.897 2.275) 4.687 8.581 ( 2.898 2.897 2.275) 4.687 8.894 ( 6.976 -8.305 0.030) 10.846 8.894 ( 6.976 8.305 0.030) 10.846 8.978 ( -0.433 -2.853 2.321) 3.703 8.978 ( -0.433 2.853 2.321) 3.703 9.241 ( -0.422 -1.464 -0.392) 1.573 9.241 ( -0.422 1.464 -0.392) 1.573 9.427 ( -1.269 -2.597 0.071) 2.891 9.427 ( -1.269 2.597 0.071) 2.891 9.736 ( -1.891 -3.269 -3.085) 4.876 9.736 ( -1.891 3.269 -3.085) 4.876 9.825 ( -1.852 -2.470 2.399) 3.909 9.825 ( -1.852 2.470 2.399) 3.909 11.180 ( -1.053 -3.306 0.915) 3.588 11.180 ( -1.053 3.306 0.915) 3.588 11.438 ( 6.523 -1.268 3.561) 7.539 11.438 ( 6.523 1.268 3.561) 7.539 11.596 ( 5.621 -1.562 -0.230) 5.838 11.596 ( 5.621 1.562 -0.230) 5.838 11.905 ( 0.208 -2.049 -4.991) 5.400 11.905 ( 0.208 2.049 -4.991) 5.400 12.034 ( -0.779 -5.237 1.158) 5.420 12.034 ( -0.779 5.237 1.158) 5.420 12.328 ( 0.971 -1.642 1.869) 2.670 12.328 ( 0.971 1.642 1.869) 2.670 12.743 ( 3.133 -0.770 -0.315) 3.241 12.743 ( 3.133 0.770 -0.315) 3.241 12.995 ( -2.310 -4.412 -4.513) 6.720 12.995 ( -2.310 4.412 -4.513) 6.720 13.213 ( -2.240 -8.679 3.631) 9.671 13.213 ( -2.240 8.679 3.631) 9.671 13.400 ( 1.217 -4.560 2.355) 5.274 13.400 ( 1.217 4.560 2.355) 5.274 13.711 ( -2.559 -4.905 -2.402) 6.031 13.711 ( -2.559 4.905 -2.402) 6.031 13.837 ( -2.268 -2.937 -1.586) 4.035 13.837 ( -2.268 2.937 -1.586) 4.035 14.301 ( -0.563 -3.524 2.249) 4.218 14.301 ( -0.563 3.524 2.249) 4.218 14.727 ( 3.404 -2.742 -2.332) 4.954 14.727 ( 3.404 2.742 -2.332) 4.954 15.132 ( -2.285 -6.995 -5.005) 8.899 15.132 ( -2.285 6.995 -5.005) 8.899 15.343 ( -1.016 -2.314 1.199) 2.797 15.343 ( -1.016 2.314 1.199) 2.797 15.583 ( -1.439 -7.312 5.868) 9.485 15.583 ( -1.439 7.312 5.868) 9.485 15.873 ( -3.772 -4.071 -4.356) 7.055 15.873 ( -3.772 4.071 -4.356) 7.055 16.026 ( -9.351 -2.672 2.835) 10.130 16.026 ( -9.351 2.672 2.835) 10.130 16.286 ( -5.292 -5.242 6.479) 9.872 16.286 ( -5.292 5.242 6.479) 9.872 16.813 ( -4.118 -0.756 -5.714) 7.084 16.813 ( -4.118 0.756 -5.714) 7.084 17.191 ( 1.024 -4.121 -1.565) 4.525 17.191 ( 1.024 4.121 -1.565) 4.525 17.692 ( -1.038 -2.416 1.748) 3.157 17.692 ( -1.038 2.416 1.748) 3.157 17.812 ( -10.474 -1.012 0.146) 10.524 17.812 ( -10.474 1.012 0.146) 10.524 17.908 ( 2.340 -4.383 -5.370) 7.316 17.908 ( 2.340 4.383 -5.370) 7.316 18.048 ( -2.030 -2.427 5.537) 6.377 18.048 ( -2.030 2.427 5.537) 6.377 18.244 ( -1.537 -3.360 -2.332) 4.369 18.244 ( -1.537 3.360 -2.332) 4.369 18.554 ( -4.401 -1.643 3.085) 5.620 18.554 ( -4.401 1.643 3.085) 5.620 18.745 ( -5.141 -1.185 1.852) 5.592 18.745 ( -5.141 1.185 1.852) 5.592 19.187 ( 1.391 -0.815 -3.169) 3.555 19.187 ( 1.391 0.815 -3.169) 3.555 22.064 ( -0.516 -1.942 -0.885) 2.196 22.064 ( -0.516 1.942 -0.885) 2.196 22.162 ( -3.166 -4.435 0.621) 5.484 22.162 ( -3.166 4.435 0.621) 5.484 22.639 ( 0.282 -1.051 0.688) 1.287 22.639 ( 0.282 1.051 0.688) 1.287 22.682 ( -2.222 -0.984 0.636) 2.512 22.682 ( -2.222 0.984 0.636) 2.512 27.214 ( 0.630 -0.594 -1.031) 1.347 27.214 ( 0.630 0.594 -1.031) 1.347 27.372 ( 2.224 -0.881 0.617) 2.470 27.372 ( 2.224 0.881 0.617) 2.470 27.657 ( 1.357 -0.462 -1.411) 2.012 27.657 ( 1.357 0.462 -1.411) 2.012 27.763 ( -0.705 -0.194 2.743) 2.838 27.763 ( -0.705 0.194 2.743) 2.838 35.770 ( 2.980 -1.530 0.957) 3.484 35.770 ( 2.980 1.530 0.957) 3.484 35.883 ( 1.173 -3.748 0.391) 3.946 35.883 ( 1.173 3.748 0.391) 3.946 36.645 ( 4.684 -2.703 -3.751) 6.581 36.645 ( 4.684 2.703 -3.751) 6.581 37.492 ( -6.333 -4.120 0.382) 7.564 37.492 ( -6.333 4.120 0.382) 7.564 37.886 ( 8.382 -11.834 -2.447) 14.707 37.886 ( 8.382 11.834 -2.447) 14.707 38.556 ( 1.880 -5.939 -2.675) 6.779 38.556 ( 1.880 5.939 -2.675) 6.779 39.011 ( 14.869 -11.794 5.211) 19.681 39.011 ( 14.869 11.794 5.211) 19.681 40.423 ( 2.666 -25.389 -5.252) 26.063 40.423 ( 2.666 25.389 -5.252) 26.063 ======================= Grid point 30 (17/84) ======================= q-point: ( 0.36 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 4.589 -3.402 -1.811) 5.993 2.377 ( 4.589 3.402 -1.811) 5.993 2.683 ( 10.176 -5.378 5.452) 12.736 2.683 ( 10.176 5.378 5.452) 12.736 2.924 ( 8.226 -3.031 -4.841) 10.015 2.924 ( 8.226 3.031 -4.841) 10.015 3.404 ( 9.671 -11.130 7.220) 16.418 3.404 ( 9.671 11.130 7.220) 16.418 3.761 ( -0.519 -2.042 1.278) 2.464 3.761 ( -0.519 2.042 1.278) 2.464 3.958 ( -2.092 -3.311 -1.432) 4.170 3.958 ( -2.092 3.311 -1.432) 4.170 4.147 ( 4.488 -3.509 -0.777) 5.750 4.147 ( 4.488 3.509 -0.777) 5.750 4.305 ( 1.474 -2.996 0.699) 3.411 4.305 ( 1.474 2.996 0.699) 3.411 4.651 ( 2.774 -1.843 -4.532) 5.624 4.651 ( 2.774 1.843 -4.532) 5.624 4.759 ( -1.592 -2.139 -1.594) 3.106 4.759 ( -1.592 2.139 -1.594) 3.106 4.875 ( 2.702 -1.980 -0.545) 3.394 4.875 ( 2.702 1.980 -0.545) 3.394 4.987 ( 0.115 -4.392 4.160) 6.051 4.987 ( 0.115 4.392 4.160) 6.051 5.087 ( -3.729 -2.940 -3.347) 5.809 5.087 ( -3.729 2.940 -3.347) 5.809 5.349 ( 2.956 -5.255 2.745) 6.625 5.349 ( 2.956 5.255 2.745) 6.625 5.501 ( -2.607 -1.567 1.491) 3.387 5.501 ( -2.607 1.567 1.491) 3.387 5.651 ( 2.825 -5.742 3.536) 7.311 5.651 ( 2.825 5.742 3.536) 7.311 5.839 ( 2.716 -1.109 -8.570) 9.058 5.839 ( 2.716 1.109 -8.570) 9.058 5.962 ( -5.973 -5.240 4.641) 9.202 5.962 ( -5.973 5.240 4.641) 9.202 6.168 ( 3.919 -5.557 -0.743) 6.840 6.168 ( 3.919 5.557 -0.743) 6.840 6.297 ( -0.698 -6.472 3.138) 7.227 6.297 ( -0.698 6.472 3.138) 7.227 6.567 ( 11.994 -6.515 -3.624) 14.122 6.567 ( 11.994 6.515 -3.624) 14.122 6.764 ( 1.536 -0.522 1.317) 2.090 6.764 ( 1.536 0.522 1.317) 2.090 7.039 ( -2.726 -5.214 -5.075) 7.770 7.039 ( -2.726 5.214 -5.075) 7.770 7.173 ( -1.801 -4.782 1.218) 5.253 7.173 ( -1.801 4.782 1.218) 5.253 7.325 ( -4.644 -1.536 3.928) 6.273 7.325 ( -4.644 1.536 3.928) 6.273 7.389 ( 1.012 -0.615 1.188) 1.677 7.389 ( 1.012 0.615 1.188) 1.677 7.491 ( 0.194 -1.509 -3.294) 3.629 7.491 ( 0.194 1.509 -3.294) 3.629 7.665 ( -2.818 -1.530 3.227) 4.550 7.665 ( -2.818 1.530 3.227) 4.550 7.934 ( -3.532 -3.475 4.059) 6.405 7.934 ( -3.532 3.475 4.059) 6.405 8.076 ( 3.138 -5.942 -1.991) 7.008 8.076 ( 3.138 5.942 -1.991) 7.008 8.409 ( 6.439 -4.914 -6.855) 10.611 8.409 ( 6.439 4.914 -6.855) 10.611 8.650 ( 3.787 -1.946 0.512) 4.288 8.650 ( 3.787 1.946 0.512) 4.288 8.937 ( -1.340 -1.665 2.000) 2.927 8.937 ( -1.340 1.665 2.000) 2.927 9.059 ( 5.590 -2.612 0.474) 6.189 9.059 ( 5.590 2.612 0.474) 6.189 9.231 ( -0.106 -0.343 0.224) 0.423 9.231 ( -0.106 0.343 0.224) 0.423 9.404 ( -0.676 -2.493 -1.906) 3.210 9.404 ( -0.676 2.493 -1.906) 3.210 9.701 ( -0.975 -1.584 -0.851) 2.045 9.701 ( -0.975 1.584 -0.851) 2.045 9.823 ( 0.421 -1.563 1.673) 2.328 9.823 ( 0.421 1.563 1.673) 2.328 11.121 ( -4.072 -4.600 0.153) 6.145 11.121 ( -4.072 4.600 0.153) 6.145 11.570 ( 4.362 -1.242 6.388) 7.834 11.570 ( 4.362 1.242 6.388) 7.834 11.727 ( 7.235 -0.278 -1.544) 7.403 11.727 ( 7.235 0.278 -1.544) 7.403 11.882 ( 0.904 -2.411 -7.516) 7.945 11.882 ( 0.904 2.411 -7.516) 7.945 12.039 ( 0.404 -3.411 3.840) 5.152 12.039 ( 0.404 3.411 3.840) 5.152 12.347 ( 0.173 -2.550 1.121) 2.791 12.347 ( 0.173 2.550 1.121) 2.791 12.809 ( 3.126 -1.661 -0.379) 3.560 12.809 ( 3.126 1.661 -0.379) 3.560 12.888 ( -5.371 -0.279 -4.126) 6.779 12.888 ( -5.371 0.279 -4.126) 6.779 13.162 ( -3.272 -5.241 1.629) 6.389 13.162 ( -3.272 5.241 1.629) 6.389 13.455 ( 0.201 -2.294 5.134) 5.626 13.455 ( 0.201 2.294 5.134) 5.626 13.634 ( -2.468 -6.137 -2.715) 7.150 13.634 ( -2.468 6.137 -2.715) 7.150 13.880 ( 5.913 -3.255 -0.764) 6.793 13.880 ( 5.913 3.255 -0.764) 6.793 14.287 ( -1.455 -0.993 0.899) 1.977 14.287 ( -1.455 0.993 0.899) 1.977 14.752 ( 0.526 -2.486 -2.490) 3.558 14.752 ( 0.526 2.486 -2.490) 3.558 15.085 ( 0.133 -4.452 -4.265) 6.167 15.085 ( 0.133 4.452 -4.265) 6.167 15.236 ( -9.529 -2.591 1.734) 10.026 15.236 ( -9.529 2.591 1.734) 10.026 15.587 ( -1.355 -5.312 1.812) 5.774 15.587 ( -1.355 5.312 1.812) 5.774 15.708 ( -8.279 -8.488 -4.056) 12.532 15.708 ( -8.279 8.488 -4.056) 12.532 16.000 ( 1.919 -1.299 3.679) 4.349 16.000 ( 1.919 1.299 3.679) 4.349 16.250 ( -3.416 -2.032 10.169) 10.918 16.250 ( -3.416 2.032 10.169) 10.918 16.703 ( -3.972 -2.251 -7.475) 8.759 16.703 ( -3.972 2.251 -7.475) 8.759 17.204 ( 1.066 -3.076 -0.966) 3.396 17.204 ( 1.066 3.076 -0.966) 3.396 17.619 ( -6.422 -0.924 1.294) 6.616 17.619 ( -6.422 0.924 1.294) 6.616 17.718 ( -0.368 -0.666 -0.421) 0.869 17.718 ( -0.368 0.666 -0.421) 0.869 17.927 ( 2.601 -2.902 -4.990) 6.331 17.927 ( 2.601 2.902 -4.990) 6.331 18.030 ( -2.500 -3.291 4.281) 5.951 18.030 ( -2.500 3.291 4.281) 5.951 18.191 ( -2.195 -6.731 -2.316) 7.449 18.191 ( -2.195 6.731 -2.316) 7.449 18.508 ( -2.972 -3.108 3.238) 5.383 18.508 ( -2.972 3.108 3.238) 5.383 18.669 ( -3.467 -2.883 1.049) 4.629 18.669 ( -3.467 2.883 1.049) 4.629 19.194 ( 0.755 -0.063 -1.782) 1.936 19.194 ( 0.755 0.063 -1.782) 1.936 22.052 ( -0.329 -1.623 -0.540) 1.742 22.052 ( -0.329 1.623 -0.540) 1.742 22.117 ( -1.992 -3.860 0.360) 4.359 22.117 ( -1.992 3.860 0.360) 4.359 22.629 ( -1.012 -0.136 -1.323) 1.671 22.629 ( -1.012 0.136 -1.323) 1.671 22.661 ( -0.673 -1.426 1.945) 2.504 22.661 ( -0.673 1.426 1.945) 2.504 27.222 ( 0.607 -0.534 -0.726) 1.087 27.222 ( 0.607 0.534 -0.726) 1.087 27.412 ( 1.637 -0.990 0.446) 1.964 27.412 ( 1.637 0.990 0.446) 1.964 27.670 ( 0.632 -0.871 -1.066) 1.515 27.670 ( 0.632 0.871 -1.066) 1.515 27.763 ( -0.591 -0.231 1.837) 1.944 27.763 ( -0.591 0.231 1.837) 1.944 35.802 ( 0.485 -5.361 0.337) 5.394 35.802 ( 0.485 5.361 0.337) 5.394 35.933 ( 3.237 -4.159 0.528) 5.296 35.933 ( 3.237 4.159 0.528) 5.296 36.735 ( 6.546 -4.214 -2.093) 8.061 36.735 ( 6.546 4.214 -2.093) 8.061 37.340 ( -9.640 -4.805 0.217) 10.774 37.340 ( -9.640 4.805 0.217) 10.774 38.017 ( 6.400 -13.024 -1.268) 14.567 38.017 ( 6.400 13.024 -1.268) 14.567 38.580 ( 2.204 -5.250 -2.259) 6.125 38.580 ( 2.204 5.250 -2.259) 6.125 39.288 ( 10.924 -13.606 5.154) 18.194 39.288 ( 10.924 13.606 5.154) 18.194 40.431 ( 1.122 -21.742 -3.986) 22.132 40.431 ( 1.122 21.742 -3.986) 22.132 ======================= Grid point 32 (18/84) ======================= q-point: ( 0.45 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 1.647 -1.682 -0.737) 2.466 2.425 ( 1.647 1.682 -0.737) 2.466 2.741 ( -0.705 -7.487 0.694) 7.553 2.741 ( -0.705 7.487 0.694) 7.553 3.111 ( 7.276 -3.040 -0.650) 7.913 3.111 ( 7.276 3.040 -0.650) 7.913 3.561 ( 4.004 -4.247 2.629) 6.402 3.561 ( 4.004 4.247 2.629) 6.402 3.770 ( 1.236 -1.680 1.972) 2.870 3.770 ( 1.236 1.680 1.972) 2.870 3.957 ( 0.044 -2.875 -0.259) 2.887 3.957 ( 0.044 2.875 -0.259) 2.887 4.238 ( 4.009 -4.167 -2.154) 6.171 4.238 ( 4.009 4.167 -2.154) 6.171 4.328 ( 1.491 -2.588 2.118) 3.661 4.328 ( 1.491 2.588 2.118) 3.661 4.623 ( -3.307 -1.691 0.045) 3.715 4.623 ( -3.307 1.691 0.045) 3.715 4.723 ( -0.443 -3.026 -2.750) 4.113 4.723 ( -0.443 3.026 -2.750) 4.113 4.866 ( -5.818 -4.086 -0.293) 7.116 4.866 ( -5.818 4.086 -0.293) 7.116 4.945 ( 3.744 -4.620 -0.662) 5.983 4.945 ( 3.744 4.620 -0.662) 5.983 5.072 ( -0.305 -1.494 -1.128) 1.897 5.072 ( -0.305 1.494 -1.128) 1.897 5.358 ( -2.840 -2.966 -2.250) 4.682 5.358 ( -2.840 2.966 -2.250) 4.682 5.451 ( -1.516 -1.843 3.319) 4.088 5.451 ( -1.516 1.843 3.319) 4.088 5.664 ( -1.072 -6.568 2.751) 7.201 5.664 ( -1.072 6.568 2.751) 7.201 5.875 ( 1.027 -3.530 -3.403) 5.010 5.875 ( 1.027 3.530 -3.403) 5.010 5.991 ( 6.099 -6.028 5.128) 9.992 5.991 ( 6.099 6.028 5.128) 9.992 6.158 ( -3.205 -3.016 -3.334) 5.521 6.158 ( -3.205 3.016 -3.334) 5.521 6.332 ( 1.477 -11.644 2.403) 11.981 6.332 ( 1.477 11.644 2.403) 11.981 6.696 ( 2.149 -2.977 -3.051) 4.774 6.696 ( 2.149 2.977 -3.051) 4.774 6.836 ( 5.721 -8.645 1.703) 10.505 6.836 ( 5.721 8.645 1.703) 10.505 6.976 ( 0.088 -4.685 -5.583) 7.289 6.976 ( 0.088 4.685 -5.583) 7.289 7.115 ( -5.536 -9.330 3.061) 11.272 7.115 ( -5.536 9.330 3.061) 11.272 7.235 ( -3.780 -6.920 1.538) 8.034 7.235 ( -3.780 6.920 1.538) 8.034 7.402 ( 1.019 -4.641 -1.560) 5.001 7.402 ( 1.019 4.641 -1.560) 5.001 7.541 ( 1.555 -6.093 1.654) 6.502 7.541 ( 1.555 6.093 1.654) 6.502 7.627 ( -0.934 -3.219 -0.746) 3.434 7.627 ( -0.934 3.219 -0.746) 3.434 7.893 ( -1.577 -6.156 1.539) 6.538 7.893 ( -1.577 6.156 1.539) 6.538 8.131 ( 1.801 -7.489 0.737) 7.737 8.131 ( 1.801 7.489 0.737) 7.737 8.484 ( 3.103 -2.998 -2.108) 4.803 8.484 ( 3.103 2.998 -2.108) 4.803 8.721 ( 3.003 -1.746 -0.621) 3.529 8.721 ( 3.003 1.746 -0.621) 3.529 8.925 ( -0.585 -1.563 1.080) 1.988 8.925 ( -0.585 1.563 1.080) 1.988 9.103 ( -0.059 -2.424 0.021) 2.424 9.103 ( -0.059 2.424 0.021) 2.424 9.248 ( 0.930 -1.765 0.564) 2.073 9.248 ( 0.930 1.765 0.564) 2.073 9.389 ( 0.133 -2.953 -1.573) 3.348 9.389 ( 0.133 2.953 -1.573) 3.348 9.686 ( -0.483 -1.320 0.237) 1.425 9.686 ( -0.483 1.320 0.237) 1.425 9.845 ( 0.810 -1.075 0.529) 1.447 9.845 ( 0.810 1.075 0.529) 1.447 11.063 ( -1.792 -5.623 -0.081) 5.902 11.063 ( -1.792 5.623 -0.081) 5.902 11.657 ( 1.584 -1.655 4.727) 5.253 11.657 ( 1.584 1.655 4.727) 5.253 11.786 ( 0.954 -2.347 -4.407) 5.084 11.786 ( 0.954 2.347 -4.407) 5.084 11.887 ( 2.020 -1.134 -1.627) 2.831 11.887 ( 2.020 1.134 -1.627) 2.831 12.082 ( 1.404 -3.393 2.686) 4.550 12.082 ( 1.404 3.393 2.686) 4.550 12.348 ( -0.261 -2.652 0.018) 2.665 12.348 ( -0.261 2.652 0.018) 2.665 12.749 ( -3.603 -2.883 -2.256) 5.136 12.749 ( -3.603 2.883 -2.256) 5.136 12.888 ( 2.036 -2.323 0.279) 3.102 12.888 ( 2.036 2.323 0.279) 3.102 13.127 ( -1.068 -3.855 0.555) 4.038 13.127 ( -1.068 3.855 0.555) 4.038 13.432 ( -2.540 -0.525 1.085) 2.811 13.432 ( -2.540 0.525 1.085) 2.811 13.628 ( 0.946 -6.489 0.369) 6.568 13.628 ( 0.946 6.489 0.369) 6.568 13.983 ( 3.984 -1.718 -0.599) 4.380 13.983 ( 3.984 1.718 -0.599) 4.380 14.272 ( -0.267 -3.096 0.136) 3.111 14.272 ( -0.267 3.096 0.136) 3.111 14.729 ( -1.198 -3.505 -1.170) 3.885 14.729 ( -1.198 3.505 -1.170) 3.885 15.072 ( -2.503 -0.905 -0.998) 2.842 15.072 ( -2.503 0.905 -0.998) 2.842 15.098 ( -1.870 -0.313 -0.204) 1.907 15.098 ( -1.870 0.313 -0.204) 1.907 15.557 ( -2.381 -5.247 1.181) 5.882 15.557 ( -2.381 5.247 1.181) 5.882 15.590 ( -2.084 -5.905 -1.859) 6.532 15.590 ( -2.084 5.905 -1.859) 6.532 16.051 ( 1.438 -5.189 0.462) 5.405 16.051 ( 1.438 5.189 0.462) 5.405 16.261 ( -0.859 -0.210 7.244) 7.298 16.261 ( -0.859 0.210 7.244) 7.298 16.606 ( -2.050 -2.667 -5.087) 6.098 16.606 ( -2.050 2.667 -5.087) 6.098 17.217 ( 0.518 -1.977 -0.306) 2.067 17.217 ( 0.518 1.977 -0.306) 2.067 17.542 ( -2.158 -0.911 0.272) 2.359 17.542 ( -2.158 0.911 0.272) 2.359 17.717 ( -0.020 -1.675 0.060) 1.676 17.717 ( -0.020 1.675 0.060) 1.676 17.949 ( 1.603 -2.176 -2.123) 3.436 17.949 ( 1.603 2.176 -2.123) 3.436 18.008 ( -1.276 -4.481 1.274) 4.830 18.008 ( -1.276 4.481 1.274) 4.830 18.156 ( -0.678 -7.681 -0.531) 7.729 18.156 ( -0.678 7.681 -0.531) 7.729 18.473 ( -1.733 -4.465 1.282) 4.958 18.473 ( -1.733 4.465 1.282) 4.958 18.633 ( -0.975 -3.960 0.376) 4.095 18.633 ( -0.975 3.960 0.376) 4.095 19.196 ( 0.215 -0.609 -0.562) 0.856 19.196 ( 0.215 0.609 -0.562) 0.856 22.046 ( -0.128 -1.260 -0.201) 1.282 22.046 ( -0.128 1.260 -0.201) 1.282 22.094 ( -0.656 -3.415 0.145) 3.480 22.094 ( -0.656 3.415 0.145) 3.480 22.608 ( -0.535 -0.040 -0.466) 0.710 22.608 ( -0.535 0.040 -0.466) 0.710 22.662 ( -0.127 -0.889 0.636) 1.101 22.662 ( -0.127 0.889 0.636) 1.101 27.227 ( 0.257 -0.309 -0.254) 0.475 27.227 ( 0.257 0.309 -0.254) 0.475 27.435 ( 0.612 -0.983 0.166) 1.170 27.435 ( 0.612 0.983 0.166) 1.170 27.672 ( 0.100 -1.050 -0.400) 1.128 27.672 ( 0.100 1.050 -0.400) 1.128 27.762 ( -0.187 -0.465 0.641) 0.814 27.762 ( -0.187 0.465 0.641) 0.814 35.806 ( 0.029 -6.789 0.074) 6.790 35.806 ( 0.029 6.789 0.074) 6.790 35.982 ( 1.432 -6.884 0.224) 7.035 35.982 ( 1.432 6.884 0.224) 7.035 36.852 ( 5.762 -8.875 -0.721) 10.606 36.852 ( 5.762 8.875 -0.721) 10.606 37.170 ( -7.207 -7.666 0.123) 10.523 37.170 ( -7.207 7.666 0.123) 10.523 38.096 ( 2.375 -13.898 -0.389) 14.105 38.096 ( 2.375 13.898 -0.389) 14.105 38.605 ( 1.019 -6.264 -0.764) 6.392 38.605 ( 1.019 6.264 -0.764) 6.392 39.446 ( 3.845 -14.386 1.945) 15.018 39.446 ( 3.845 14.386 1.945) 15.018 40.430 ( 0.352 -19.563 -1.433) 19.618 40.430 ( 0.352 19.563 -1.433) 19.618 ======================= Grid point 55 (19/84) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -7.023 0.000 36.719) 37.384 0.941 ( -14.847 0.000 42.058) 44.601 1.442 ( -8.241 0.000 60.891) 61.446 2.165 ( 4.271 0.000 10.034) 10.905 2.748 ( 4.894 0.000 -13.601) 14.454 2.982 ( 3.211 0.000 -0.087) 3.212 3.087 ( -2.180 0.000 -10.161) 10.392 3.205 ( -3.264 0.000 -5.909) 6.751 3.323 ( 1.076 0.000 0.163) 1.088 3.365 ( -10.204 0.000 -4.587) 11.188 3.580 ( 7.920 0.000 -16.278) 18.102 3.676 ( -0.886 0.000 0.808) 1.199 3.757 ( -5.182 0.000 0.267) 5.189 3.838 ( 3.975 0.000 -7.244) 8.263 3.985 ( 5.473 0.000 -1.835) 5.773 4.247 ( 6.111 0.000 -9.972) 11.695 4.339 ( 2.294 0.000 0.406) 2.330 4.463 ( -5.831 0.000 2.183) 6.227 4.500 ( 4.797 0.000 -8.986) 10.186 4.695 ( -6.653 0.000 4.604) 8.090 4.772 ( 2.625 0.000 -9.281) 9.645 4.897 ( 0.035 0.000 3.063) 3.063 4.930 ( -4.087 0.000 1.007) 4.209 5.062 ( -5.035 0.000 -1.017) 5.137 5.096 ( 0.575 0.000 6.474) 6.500 5.137 ( -6.653 0.000 -2.443) 7.087 5.396 ( -2.332 0.000 0.885) 2.494 5.463 ( 7.073 0.000 0.396) 7.084 5.493 ( -4.588 0.000 -2.588) 5.267 5.569 ( 2.223 0.000 -3.106) 3.820 5.613 ( -4.992 0.000 1.317) 5.162 5.718 ( -3.567 0.000 1.976) 4.077 5.834 ( -5.677 0.000 4.706) 7.374 5.887 ( 8.502 0.000 -7.305) 11.209 5.983 ( -2.486 0.000 -1.510) 2.908 6.034 ( -4.526 0.000 3.970) 6.020 6.097 ( 1.298 0.000 5.484) 5.636 6.101 ( 2.995 0.000 3.832) 4.864 6.272 ( -0.213 0.000 -2.700) 2.708 6.292 ( -2.963 0.000 1.417) 3.284 6.330 ( -5.210 0.000 11.926) 13.014 6.402 ( 7.795 0.000 6.240) 9.985 6.656 ( -0.283 0.000 11.231) 11.234 6.777 ( 3.371 0.000 -0.873) 3.482 6.796 ( 15.077 0.000 1.715) 15.174 6.957 ( -6.851 0.000 7.444) 10.117 7.070 ( 0.718 0.000 -8.029) 8.061 7.181 ( 1.007 0.000 -3.414) 3.559 7.217 ( 7.751 0.000 -2.300) 8.085 7.340 ( 7.032 0.000 0.501) 7.049 7.388 ( -4.407 0.000 -6.753) 8.064 7.394 ( 2.266 0.000 -2.437) 3.327 7.511 ( -6.251 0.000 -2.843) 6.867 7.619 ( 4.486 0.000 -0.257) 4.494 7.707 ( 1.050 0.000 -2.192) 2.431 7.804 ( 2.671 0.000 -6.115) 6.673 8.003 ( 3.678 0.000 -2.098) 4.234 8.037 ( 2.328 0.000 -6.239) 6.659 8.078 ( 7.424 0.000 -2.502) 7.834 8.177 ( -2.008 0.000 5.809) 6.147 8.356 ( -2.368 0.000 3.346) 4.099 8.493 ( -8.256 0.000 14.278) 16.493 8.598 ( 1.205 0.000 -3.722) 3.913 8.676 ( -6.651 0.000 14.324) 15.793 8.818 ( 0.291 0.000 -5.094) 5.102 8.926 ( -0.103 0.000 -5.797) 5.798 8.983 ( 1.191 0.000 -1.311) 1.771 9.082 ( 1.355 0.000 1.610) 2.104 9.103 ( 0.450 0.000 -1.378) 1.450 9.128 ( -2.525 0.000 -0.767) 2.639 9.437 ( 3.228 0.000 0.486) 3.264 9.481 ( -3.166 0.000 -0.645) 3.231 9.756 ( 2.162 0.000 0.228) 2.174 9.830 ( -7.544 0.000 -2.642) 7.993 9.934 ( 3.240 0.000 2.165) 3.897 10.118 ( -4.250 0.000 -1.940) 4.671 10.764 ( 0.503 0.000 0.540) 0.738 10.858 ( -13.566 0.000 -1.899) 13.698 11.269 ( 1.210 0.000 3.100) 3.328 11.407 ( -2.990 0.000 -0.226) 2.999 11.671 ( 1.674 0.000 0.751) 1.835 11.709 ( 9.267 0.000 -1.549) 9.396 11.834 ( 6.462 0.000 3.468) 7.334 11.962 ( -1.190 0.000 -0.706) 1.383 12.010 ( 3.071 0.000 2.990) 4.286 12.144 ( -2.184 0.000 -2.281) 3.158 12.198 ( 0.965 0.000 -2.937) 3.092 12.254 ( -0.395 0.000 -3.011) 3.037 12.712 ( 1.480 0.000 -2.289) 2.725 12.744 ( -2.275 0.000 1.288) 2.614 12.744 ( -0.124 0.000 -5.106) 5.107 12.916 ( 1.235 0.000 -1.910) 2.275 13.057 ( -5.636 0.000 6.157) 8.347 13.269 ( 3.369 0.000 3.119) 4.591 13.444 ( 4.245 0.000 6.562) 7.815 13.575 ( 0.308 0.000 0.705) 0.769 13.869 ( 10.344 0.000 -0.356) 10.350 14.087 ( -8.000 0.000 -1.678) 8.174 14.108 ( -1.512 0.000 -1.514) 2.140 14.150 ( 4.355 0.000 -0.960) 4.459 14.174 ( -35.190 0.000 0.484) 35.193 14.373 ( -4.296 0.000 -8.100) 9.169 14.517 ( 0.642 0.000 2.755) 2.829 14.669 ( 15.959 0.000 0.246) 15.961 14.734 ( -4.137 0.000 3.846) 5.649 14.847 ( -0.723 0.000 -2.826) 2.918 15.105 ( -1.845 0.000 -2.657) 3.235 15.513 ( -3.602 0.000 1.827) 4.039 15.542 ( 8.111 0.000 6.581) 10.445 15.856 ( 14.632 0.000 -9.713) 17.562 15.908 ( -0.736 0.000 0.744) 1.047 16.006 ( 1.659 0.000 -4.961) 5.231 16.109 ( -1.940 0.000 -4.811) 5.187 16.184 ( 3.823 0.000 -2.923) 4.812 16.496 ( 0.702 0.000 9.051) 9.079 16.885 ( 6.470 0.000 1.777) 6.709 16.956 ( -0.869 0.000 1.369) 1.622 17.163 ( -0.936 0.000 -0.381) 1.011 17.197 ( -2.021 0.000 -3.080) 3.684 17.322 ( -4.766 0.000 -3.119) 5.696 17.407 ( -0.168 0.000 -0.620) 0.643 17.695 ( 1.646 0.000 -4.986) 5.251 17.729 ( 6.034 0.000 1.927) 6.335 17.736 ( -0.386 0.000 -3.803) 3.823 17.814 ( -0.456 0.000 -4.598) 4.621 17.957 ( -2.527 0.000 -1.594) 2.988 18.082 ( -2.615 0.000 5.882) 6.437 18.232 ( -3.879 0.000 11.589) 12.222 18.478 ( 0.030 0.000 -2.261) 2.261 18.639 ( 2.461 0.000 2.827) 3.748 18.724 ( -3.294 0.000 3.633) 4.904 18.842 ( -1.483 0.000 -3.220) 3.545 18.919 ( -0.977 0.000 -4.491) 4.596 19.003 ( 3.575 0.000 4.035) 5.391 19.145 ( -8.584 0.000 2.809) 9.031 19.188 ( 0.438 0.000 -3.079) 3.110 22.007 ( 0.405 0.000 0.104) 0.418 22.029 ( -0.352 0.000 -0.360) 0.503 22.285 ( -1.271 0.000 1.354) 1.857 22.464 ( 9.979 0.000 -3.546) 10.590 22.601 ( -0.694 0.000 1.759) 1.891 22.692 ( 17.646 0.000 2.162) 17.778 22.705 ( -0.456 0.000 -1.333) 1.409 22.771 ( -2.084 0.000 0.223) 2.096 27.197 ( -1.051 0.000 0.384) 1.118 27.241 ( 1.749 0.000 -0.743) 1.900 27.245 ( -1.927 0.000 -0.122) 1.931 27.258 ( 0.519 0.000 0.006) 0.520 27.589 ( 0.001 0.000 -0.958) 0.958 27.591 ( -0.665 0.000 -1.285) 1.447 27.773 ( 0.226 0.000 3.083) 3.091 27.774 ( 0.753 0.000 2.886) 2.983 35.568 ( -1.915 0.000 0.032) 1.916 35.794 ( 0.683 0.000 8.573) 8.600 35.825 ( 9.383 0.000 -3.099) 9.882 36.121 ( -7.598 0.000 -0.672) 7.628 36.702 ( -3.250 0.000 6.157) 6.962 37.118 ( 1.594 0.000 -3.485) 3.832 37.364 ( 17.806 0.000 2.645) 18.001 37.592 ( -7.723 0.000 -3.733) 8.578 37.740 ( 9.793 0.000 3.652) 10.452 37.895 ( 0.791 0.000 0.050) 0.793 37.961 (-144.359 0.000 1.511) 144.366 38.127 ( 11.734 0.000 -1.857) 11.880 38.536 ( -3.573 0.000 -3.274) 4.846 38.766 ( -2.036 0.000 -10.677) 10.870 39.570 ( -2.335 0.000 9.568) 9.848 40.173 ( 40.960 0.000 -6.327) 41.445 ======================= Grid point 56 (20/84) ======================= q-point: ( 0.09 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 13.375 0.000 28.201) 31.212 1.260 ( 25.501 0.000 27.578) 37.561 1.948 ( 28.998 0.000 38.019) 47.815 2.411 ( 14.799 0.000 17.529) 22.941 2.752 ( 0.471 0.000 -9.151) 9.163 2.943 ( -7.706 0.000 1.119) 7.787 3.046 ( 5.010 0.000 -8.942) 10.249 3.057 ( -8.290 0.000 2.646) 8.702 3.277 ( 5.434 0.000 -13.577) 14.624 3.346 ( 1.784 0.000 0.941) 2.018 3.583 ( 3.901 0.000 -12.724) 13.308 3.727 ( 1.157 0.000 0.241) 1.182 3.796 ( 11.494 0.000 -2.419) 11.746 3.903 ( 6.335 0.000 -7.767) 10.023 4.070 ( 5.008 0.000 -2.000) 5.393 4.235 ( -3.191 0.000 -3.748) 4.923 4.381 ( 4.301 0.000 -1.999) 4.743 4.432 ( 6.485 0.000 -9.156) 11.220 4.575 ( 3.372 0.000 2.755) 4.354 4.603 ( -3.360 0.000 4.193) 5.373 4.811 ( 2.937 0.000 -11.190) 11.569 4.842 ( 1.372 0.000 1.463) 2.006 4.897 ( 1.650 0.000 5.926) 6.152 5.073 ( 4.865 0.000 8.324) 9.641 5.075 ( -13.537 0.000 -0.954) 13.570 5.254 ( 4.545 0.000 0.603) 4.584 5.339 ( -5.159 0.000 -5.995) 7.909 5.356 ( 3.304 0.000 5.039) 6.026 5.559 ( -12.970 0.000 5.415) 14.055 5.567 ( 3.581 0.000 -2.818) 4.556 5.635 ( 3.800 0.000 7.573) 8.473 5.655 ( 8.948 0.000 -4.729) 10.120 5.817 ( 3.192 0.000 7.986) 8.600 5.845 ( -6.230 0.000 0.762) 6.276 5.889 ( -0.564 0.000 -3.403) 3.449 5.969 ( -2.530 0.000 2.203) 3.355 6.094 ( -5.521 0.000 3.458) 6.515 6.181 ( -6.236 0.000 -0.671) 6.272 6.182 ( 0.669 0.000 3.333) 3.399 6.316 ( 2.285 0.000 -0.494) 2.338 6.408 ( 5.630 0.000 4.726) 7.350 6.500 ( 0.607 0.000 1.649) 1.757 6.714 ( 0.869 0.000 5.420) 5.489 6.745 ( -5.363 0.000 -1.334) 5.527 6.904 ( 7.974 0.000 6.456) 10.260 6.993 ( -0.192 0.000 6.756) 6.759 7.024 ( -1.686 0.000 -1.295) 2.126 7.144 ( -1.846 0.000 -4.928) 5.262 7.220 ( -4.488 0.000 -9.600) 10.597 7.259 ( -2.781 0.000 -12.747) 13.046 7.358 ( -4.850 0.000 2.907) 5.655 7.500 ( 9.055 0.000 -0.231) 9.058 7.528 ( 4.732 0.000 1.896) 5.097 7.696 ( 2.750 0.000 -0.848) 2.877 7.762 ( 6.125 0.000 -4.947) 7.873 7.849 ( 3.074 0.000 -11.521) 11.924 8.018 ( -1.515 0.000 -0.207) 1.530 8.062 ( 4.890 0.000 -3.789) 6.186 8.161 ( -1.764 0.000 1.425) 2.268 8.178 ( 2.250 0.000 0.272) 2.267 8.333 ( -1.788 0.000 3.883) 4.274 8.369 ( -12.032 0.000 13.997) 18.458 8.598 ( -0.307 0.000 -2.934) 2.950 8.603 ( -8.280 0.000 11.720) 14.350 8.777 ( -2.743 0.000 -5.389) 6.046 8.922 ( 3.372 0.000 -2.858) 4.420 8.966 ( -8.018 0.000 1.111) 8.094 8.997 ( 1.009 0.000 -2.455) 2.655 9.101 ( -0.286 0.000 2.226) 2.244 9.137 ( 2.772 0.000 -1.192) 3.017 9.438 ( -2.103 0.000 -1.765) 2.746 9.516 ( 4.150 0.000 2.232) 4.713 9.731 ( -2.412 0.000 -1.815) 3.019 9.784 ( 0.075 0.000 2.231) 2.232 9.984 ( -7.421 0.000 -4.670) 8.768 9.986 ( -0.746 0.000 4.567) 4.627 10.849 ( 9.929 0.000 -0.490) 9.941 10.871 ( 9.306 0.000 1.573) 9.438 11.343 ( 4.000 0.000 5.083) 6.468 11.370 ( -0.088 0.000 -0.628) 0.634 11.643 ( -5.078 0.000 -2.149) 5.514 11.747 ( -3.128 0.000 0.268) 3.139 11.922 ( 2.474 0.000 -0.022) 2.474 11.933 ( -1.765 0.000 -0.449) 1.821 12.046 ( -1.019 0.000 4.335) 4.453 12.109 ( 0.696 0.000 -2.802) 2.887 12.214 ( -1.727 0.000 -4.321) 4.653 12.243 ( 4.635 0.000 -2.742) 5.386 12.715 ( -0.144 0.000 -1.742) 1.748 12.724 ( 1.266 0.000 -3.877) 4.078 12.756 ( 2.329 0.000 -1.139) 2.592 12.955 ( 1.614 0.000 0.849) 1.824 13.000 ( -1.138 0.000 2.027) 2.325 13.297 ( -9.223 0.000 6.480) 11.272 13.432 ( -6.274 0.000 2.457) 6.737 13.529 ( 1.026 0.000 6.315) 6.398 13.679 ( -4.399 0.000 7.561) 8.747 14.009 ( -2.885 0.000 0.834) 3.003 14.035 ( -6.298 0.000 -0.285) 6.304 14.099 ( 5.966 0.000 -1.020) 6.053 14.105 ( -7.710 0.000 -9.482) 12.221 14.374 ( 7.999 0.000 1.357) 8.113 14.546 ( 1.827 0.000 0.431) 1.878 14.746 ( 0.685 0.000 5.729) 5.770 14.795 ( 2.887 0.000 -7.171) 7.731 14.968 ( 10.997 0.000 0.601) 11.013 15.080 ( 2.211 0.000 -5.423) 5.856 15.538 ( -1.403 0.000 -0.854) 1.643 15.724 ( 6.619 0.000 10.899) 12.752 15.886 ( -1.185 0.000 -1.977) 2.305 15.931 ( 1.122 0.000 -1.936) 2.237 15.952 ( -5.207 0.000 -0.510) 5.232 15.993 ( -7.370 0.000 -4.955) 8.881 16.302 ( 9.432 0.000 -19.727) 21.866 16.502 ( -6.064 0.000 10.869) 12.446 16.891 ( -4.622 0.000 -1.726) 4.934 16.928 ( -0.839 0.000 -3.182) 3.290 17.031 ( -12.357 0.000 -0.715) 12.377 17.176 ( -5.611 0.000 5.141) 7.610 17.188 ( -2.085 0.000 -4.521) 4.979 17.527 ( 8.759 0.000 -0.918) 8.807 17.670 ( -1.397 0.000 -4.206) 4.432 17.766 ( 5.568 0.000 -4.543) 7.186 17.768 ( -0.456 0.000 -5.444) 5.463 17.876 ( 5.739 0.000 2.846) 6.406 17.917 ( -1.317 0.000 -0.805) 1.544 18.124 ( 4.437 0.000 3.953) 5.942 18.236 ( -1.595 0.000 7.972) 8.130 18.445 ( -2.028 0.000 -1.478) 2.510 18.600 ( -11.520 0.000 6.800) 13.377 18.659 ( -2.378 0.000 3.578) 4.296 18.729 ( -8.899 0.000 -3.350) 9.509 18.903 ( -3.871 0.000 -0.947) 3.985 19.017 ( -0.628 0.000 -3.742) 3.794 19.054 ( -0.441 0.000 6.023) 6.039 19.151 ( -2.329 0.000 -3.617) 4.302 22.014 ( 0.255 0.000 0.387) 0.463 22.020 ( -0.330 0.000 -0.629) 0.710 22.245 ( -3.257 0.000 0.365) 3.277 22.480 ( -2.141 0.000 -3.451) 4.061 22.602 ( -0.007 0.000 2.350) 2.350 22.678 ( -1.403 0.000 -1.971) 2.420 22.728 ( -2.095 0.000 -1.133) 2.382 22.877 ( 0.676 0.000 0.660) 0.945 27.183 ( -0.475 0.000 -0.669) 0.821 27.223 ( -0.148 0.000 -0.159) 0.218 27.265 ( 1.156 0.000 0.060) 1.157 27.293 ( 2.819 0.000 0.661) 2.896 27.579 ( 0.160 0.000 -1.223) 1.234 27.595 ( 0.922 0.000 -0.570) 1.084 27.792 ( 0.156 0.000 2.691) 2.695 27.807 ( 0.911 0.000 2.960) 3.097 35.574 ( 2.985 0.000 -1.890) 3.533 35.862 ( 1.056 0.000 8.636) 8.701 35.942 ( -4.179 0.000 7.042) 8.189 36.049 ( 8.995 0.000 -8.882) 12.642 36.375 ( -34.799 0.000 24.884) 42.780 36.624 ( -7.124 0.000 3.688) 8.022 37.245 ( 2.013 0.000 4.715) 5.127 37.457 ( -4.211 0.000 -3.437) 5.436 37.684 ( 14.842 0.000 -6.382) 16.156 37.946 ( 11.036 0.000 2.476) 11.310 38.037 ( 10.840 0.000 0.376) 10.847 38.486 ( 0.862 0.000 -4.371) 4.455 38.531 ( 26.043 0.000 8.576) 27.419 38.712 ( 1.315 0.000 -8.647) 8.746 39.534 ( -5.206 0.000 6.498) 8.326 40.644 ( 19.136 0.000 -24.957) 31.449 ======================= Grid point 57 (21/84) ======================= q-point: ( 0.18 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 22.720 0.000 11.361) 25.402 1.849 ( 23.002 0.000 25.177) 34.102 2.545 ( 18.760 0.000 5.710) 19.610 2.701 ( -1.343 0.000 -4.936) 5.116 2.813 ( -4.567 0.000 1.999) 4.985 2.865 ( 6.994 0.000 1.641) 7.184 3.084 ( 19.759 0.000 28.819) 34.942 3.115 ( 1.567 0.000 -0.481) 1.639 3.351 ( 12.164 0.000 -17.340) 21.181 3.422 ( 7.162 0.000 -0.535) 7.182 3.675 ( 12.915 0.000 -9.151) 15.828 3.779 ( 4.666 0.000 -0.942) 4.760 3.971 ( 8.188 0.000 0.487) 8.202 3.976 ( 6.769 0.000 -10.440) 12.443 4.149 ( -3.075 0.000 -3.972) 5.023 4.191 ( 11.335 0.000 -6.532) 13.083 4.425 ( -2.558 0.000 -1.565) 2.998 4.495 ( -4.743 0.000 -5.499) 7.262 4.556 ( -7.240 0.000 6.272) 9.579 4.638 ( 5.399 0.000 0.257) 5.405 4.766 ( 5.882 0.000 -6.249) 8.581 4.922 ( 3.939 0.000 0.108) 3.941 4.934 ( 0.659 0.000 1.408) 1.555 5.050 ( 8.315 0.000 2.593) 8.710 5.129 ( -1.988 0.000 -2.434) 3.143 5.264 ( 2.078 0.000 13.579) 13.737 5.365 ( -5.220 0.000 4.357) 6.800 5.366 ( 2.410 0.000 -0.392) 2.441 5.398 ( -4.304 0.000 7.646) 8.774 5.547 ( -2.286 0.000 -0.412) 2.323 5.670 ( -5.062 0.000 4.223) 6.592 5.774 ( 6.442 0.000 -0.531) 6.463 5.848 ( -2.253 0.000 -0.809) 2.393 5.918 ( -0.388 0.000 0.812) 0.900 5.939 ( 3.717 0.000 5.574) 6.700 6.007 ( -3.108 0.000 0.208) 3.115 6.064 ( 10.370 0.000 1.375) 10.461 6.143 ( 5.768 0.000 -2.642) 6.345 6.160 ( -0.317 0.000 5.909) 5.917 6.316 ( 0.926 0.000 -3.170) 3.302 6.498 ( 1.484 0.000 -3.985) 4.252 6.526 ( 4.482 0.000 1.667) 4.781 6.711 ( -1.697 0.000 -4.981) 5.262 6.726 ( -1.322 0.000 1.962) 2.365 6.922 ( -1.122 0.000 2.231) 2.497 7.022 ( -3.906 0.000 -10.856) 11.537 7.047 ( 3.307 0.000 -0.735) 3.387 7.102 ( 0.840 0.000 -0.232) 0.871 7.105 ( -4.253 0.000 -1.174) 4.412 7.160 ( -0.657 0.000 -2.594) 2.676 7.326 ( 1.333 0.000 3.726) 3.957 7.602 ( 2.677 0.000 0.432) 2.712 7.641 ( 7.534 0.000 -5.912) 9.577 7.706 ( 0.630 0.000 -3.464) 3.521 7.792 ( -0.628 0.000 -8.169) 8.193 7.817 ( -2.394 0.000 0.164) 2.400 8.004 ( 0.487 0.000 -1.804) 1.869 8.125 ( -2.247 0.000 2.185) 3.134 8.130 ( -1.304 0.000 -1.690) 2.135 8.164 ( 0.735 0.000 0.223) 0.768 8.229 ( -9.713 0.000 15.032) 17.897 8.287 ( -5.712 0.000 0.760) 5.763 8.539 ( -5.457 0.000 0.432) 5.474 8.565 ( 0.418 0.000 8.652) 8.662 8.709 ( 1.785 0.000 -6.212) 6.464 8.913 ( -0.265 0.000 1.705) 1.725 8.972 ( -0.627 0.000 -0.127) 0.639 9.029 ( 5.698 0.000 -2.417) 6.189 9.109 ( 0.436 0.000 2.364) 2.403 9.177 ( 2.497 0.000 -3.115) 3.992 9.374 ( -3.550 0.000 -2.329) 4.246 9.603 ( 3.476 0.000 3.378) 4.847 9.680 ( -2.112 0.000 -2.321) 3.138 9.771 ( -3.588 0.000 1.475) 3.880 9.835 ( -4.354 0.000 -4.326) 6.138 9.969 ( -3.539 0.000 6.186) 7.127 11.062 ( 7.630 0.000 3.009) 8.202 11.092 ( 14.664 0.000 -1.191) 14.712 11.410 ( 4.844 0.000 -0.196) 4.848 11.460 ( 4.660 0.000 7.624) 8.935 11.522 ( -4.229 0.000 -2.290) 4.809 11.659 ( -4.912 0.000 -0.485) 4.936 11.830 ( -6.573 0.000 -6.020) 8.913 11.949 ( 0.592 0.000 1.225) 1.361 12.046 ( -0.960 0.000 4.532) 4.633 12.145 ( -1.313 0.000 -4.722) 4.901 12.187 ( 5.333 0.000 0.121) 5.334 12.306 ( 2.928 0.000 -1.399) 3.245 12.699 ( -0.708 0.000 -1.190) 1.385 12.758 ( 3.710 0.000 -1.416) 3.971 12.796 ( 2.234 0.000 0.254) 2.249 12.933 ( -2.824 0.000 2.826) 3.995 13.086 ( 7.933 0.000 -1.246) 8.030 13.134 ( -6.650 0.000 1.686) 6.860 13.475 ( 3.304 0.000 1.318) 3.557 13.556 ( -0.821 0.000 3.296) 3.396 13.680 ( -0.190 0.000 4.872) 4.875 13.872 ( -10.197 0.000 -9.018) 13.613 13.892 ( -8.699 0.000 0.464) 8.712 13.922 ( -4.844 0.000 -1.067) 4.961 14.231 ( 6.994 0.000 1.305) 7.114 14.529 ( 5.349 0.000 1.199) 5.482 14.617 ( 4.706 0.000 2.105) 5.156 14.726 ( -4.515 0.000 1.944) 4.916 14.800 ( 2.040 0.000 -6.965) 7.258 15.144 ( 5.881 0.000 -3.198) 6.694 15.185 ( 11.164 0.000 0.811) 11.193 15.427 ( -7.764 0.000 -2.337) 8.108 15.783 ( -7.429 0.000 2.284) 7.772 15.797 ( -10.854 0.000 -4.662) 11.813 15.853 ( -3.233 0.000 -0.543) 3.278 15.950 ( 6.135 0.000 13.941) 15.231 15.965 ( 1.979 0.000 1.023) 2.227 16.268 ( -1.913 0.000 -16.708) 16.817 16.372 ( -12.901 0.000 9.330) 15.921 16.803 ( -8.854 0.000 -2.926) 9.325 16.806 ( -7.460 0.000 8.506) 11.314 16.858 ( -0.536 0.000 -13.489) 13.499 17.078 ( -6.495 0.000 8.156) 10.427 17.201 ( 3.173 0.000 -0.835) 3.281 17.622 ( -0.712 0.000 -5.033) 5.083 17.633 ( 3.237 0.000 -3.369) 4.672 17.738 ( -0.076 0.000 -3.687) 3.688 17.808 ( 0.668 0.000 -3.693) 3.753 17.880 ( -2.850 0.000 -2.177) 3.587 17.951 ( 1.256 0.000 -0.007) 1.256 18.220 ( -0.481 0.000 5.172) 5.194 18.225 ( -3.147 0.000 0.671) 3.217 18.375 ( -10.719 0.000 5.503) 12.049 18.416 ( -1.415 0.000 4.707) 4.915 18.509 ( -10.998 0.000 -3.868) 11.658 18.620 ( -3.922 0.000 3.454) 5.226 18.825 ( -3.524 0.000 -0.767) 3.606 19.020 ( -6.181 0.000 1.938) 6.478 19.031 ( 3.475 0.000 -7.217) 8.010 19.117 ( 0.782 0.000 0.164) 0.799 22.010 ( -0.363 0.000 -0.771) 0.852 22.019 ( 0.036 0.000 0.594) 0.595 22.181 ( -3.371 0.000 -0.457) 3.402 22.397 ( -4.595 0.000 -1.947) 4.991 22.620 ( 0.557 0.000 1.974) 2.051 22.639 ( -1.468 0.000 -2.321) 2.746 22.683 ( -2.093 0.000 -1.372) 2.503 22.850 ( -3.474 0.000 3.965) 5.271 27.177 ( 0.533 0.000 -1.004) 1.137 27.234 ( 1.307 0.000 -0.512) 1.403 27.291 ( 1.367 0.000 0.613) 1.498 27.353 ( 2.825 0.000 1.210) 3.074 27.583 ( 0.873 0.000 -1.038) 1.356 27.614 ( 1.252 0.000 -0.378) 1.308 27.804 ( -0.280 0.000 1.965) 1.985 27.828 ( -0.296 0.000 2.412) 2.430 35.640 ( 4.309 0.000 -0.263) 4.317 35.865 ( -5.188 0.000 6.159) 8.053 35.919 ( 1.261 0.000 7.285) 7.393 36.190 ( -2.659 0.000 7.637) 8.086 36.241 ( 13.034 0.000 -5.266) 14.057 36.501 ( -7.248 0.000 1.724) 7.450 37.316 ( 2.199 0.000 4.676) 5.167 37.394 ( -0.977 0.000 -4.433) 4.539 37.826 ( 3.646 0.000 -1.921) 4.121 38.182 ( 13.277 0.000 -0.640) 13.293 38.280 ( 15.656 0.000 -4.527) 16.298 38.545 ( 7.117 0.000 -1.255) 7.227 38.670 ( -0.897 0.000 -5.762) 5.831 39.071 ( 20.947 0.000 14.688) 25.583 39.504 ( 0.867 0.000 5.728) 5.793 40.733 ( 6.622 0.000 -22.976) 23.911 ======================= Grid point 58 (22/84) ======================= q-point: ( 0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 17.937 0.000 2.288) 18.083 2.341 ( 15.877 0.000 15.906) 22.474 2.658 ( -0.569 0.000 -1.125) 1.261 2.827 ( 9.479 0.000 7.176) 11.889 2.828 ( 3.812 0.000 -0.090) 3.813 2.870 ( 2.887 0.000 0.354) 2.909 3.097 ( -1.252 0.000 6.326) 6.448 3.491 ( 11.433 0.000 -1.582) 11.542 3.555 ( 15.541 0.000 -11.091) 19.093 3.688 ( 13.598 0.000 9.575) 16.631 3.830 ( 6.292 0.000 -6.161) 8.806 3.862 ( 3.873 0.000 -5.624) 6.829 4.063 ( 5.128 0.000 -0.536) 5.156 4.076 ( 0.511 0.000 -12.883) 12.893 4.212 ( -12.194 0.000 2.463) 12.440 4.247 ( -0.726 0.000 3.613) 3.685 4.325 ( 11.481 0.000 -1.971) 11.649 4.436 ( 20.315 0.000 -5.022) 20.927 4.589 ( 2.717 0.000 4.478) 5.238 4.729 ( 2.881 0.000 -0.231) 2.890 4.833 ( -8.403 0.000 2.890) 8.886 4.897 ( 7.617 0.000 -2.889) 8.146 5.046 ( 5.112 0.000 6.682) 8.413 5.094 ( -0.236 0.000 2.495) 2.506 5.171 ( 0.991 0.000 -3.600) 3.734 5.275 ( -3.742 0.000 -1.981) 4.234 5.301 ( 0.101 0.000 3.104) 3.105 5.356 ( -3.829 0.000 3.635) 5.280 5.489 ( -6.268 0.000 1.613) 6.472 5.553 ( 11.289 0.000 11.614) 16.197 5.681 ( -3.410 0.000 -5.312) 6.312 5.754 ( 1.037 0.000 6.247) 6.333 5.857 ( -13.848 0.000 5.180) 14.785 5.863 ( 4.277 0.000 -2.924) 5.181 5.911 ( -2.347 0.000 3.491) 4.206 5.979 ( -0.125 0.000 6.525) 6.526 6.044 ( 0.816 0.000 -6.296) 6.349 6.292 ( 0.641 0.000 -3.650) 3.706 6.327 ( 8.733 0.000 -1.006) 8.791 6.401 ( 5.077 0.000 4.061) 6.501 6.485 ( -5.922 0.000 -6.128) 8.522 6.625 ( 14.321 0.000 -2.704) 14.574 6.627 ( -4.413 0.000 -2.778) 5.215 6.725 ( 1.840 0.000 1.174) 2.183 6.815 ( -5.749 0.000 -4.953) 7.588 7.010 ( -2.543 0.000 -2.179) 3.349 7.025 ( 7.491 0.000 -3.374) 8.215 7.082 ( -6.799 0.000 6.126) 9.152 7.085 ( 0.500 0.000 -4.081) 4.112 7.231 ( 8.564 0.000 0.384) 8.573 7.438 ( 6.815 0.000 1.254) 6.930 7.611 ( -1.713 0.000 1.899) 2.557 7.685 ( -9.073 0.000 0.371) 9.081 7.712 ( 5.141 0.000 -12.309) 13.340 7.771 ( -1.172 0.000 3.393) 3.590 7.771 ( 11.559 0.000 -10.542) 15.644 7.965 ( -3.415 0.000 -3.646) 4.995 7.998 ( -9.061 0.000 2.760) 9.472 8.075 ( -5.261 0.000 5.048) 7.291 8.156 ( -4.495 0.000 -1.308) 4.682 8.236 ( 2.143 0.000 8.453) 8.720 8.246 ( 2.030 0.000 3.036) 3.652 8.475 ( -0.059 0.000 1.900) 1.901 8.683 ( 7.372 0.000 4.972) 8.892 8.777 ( 7.684 0.000 -4.142) 8.730 8.926 ( -3.120 0.000 -2.537) 4.021 8.933 ( 1.100 0.000 1.909) 2.203 9.097 ( 0.737 0.000 3.073) 3.161 9.153 ( 2.532 0.000 1.591) 2.990 9.189 ( 1.344 0.000 -6.595) 6.731 9.293 ( -3.760 0.000 -0.945) 3.877 9.635 ( -1.470 0.000 -1.606) 2.177 9.672 ( 0.102 0.000 -3.216) 3.218 9.680 ( -0.552 0.000 -0.197) 0.586 9.793 ( -1.261 0.000 2.354) 2.670 9.931 ( -3.900 0.000 6.018) 7.172 11.104 ( -4.018 0.000 2.502) 4.734 11.302 ( 6.279 0.000 -1.658) 6.495 11.527 ( 3.330 0.000 3.648) 4.939 11.545 ( 8.524 0.000 -2.500) 8.884 11.545 ( 0.063 0.000 6.157) 6.157 11.650 ( 5.891 0.000 0.749) 5.938 11.685 ( -2.923 0.000 -6.740) 7.346 11.966 ( 0.920 0.000 0.259) 0.955 12.077 ( 1.591 0.000 6.673) 6.860 12.078 ( -2.049 0.000 -5.706) 6.062 12.298 ( 4.983 0.000 0.204) 4.988 12.326 ( -0.219 0.000 -1.244) 1.263 12.674 ( -1.022 0.000 -2.574) 2.770 12.837 ( 4.894 0.000 0.137) 4.896 12.839 ( 1.548 0.000 2.516) 2.954 12.896 ( -2.144 0.000 1.037) 2.382 13.041 ( -4.437 0.000 -0.578) 4.474 13.249 ( 8.666 0.000 -0.703) 8.694 13.492 ( -6.281 0.000 -2.458) 6.745 13.498 ( -1.531 0.000 -0.014) 1.531 13.710 ( -6.398 0.000 0.274) 6.404 13.740 ( 5.099 0.000 1.766) 5.396 13.750 ( -3.057 0.000 0.290) 3.071 13.836 ( -3.040 0.000 -2.827) 4.151 14.368 ( 6.708 0.000 2.655) 7.214 14.509 ( -9.070 0.000 -7.282) 11.632 14.620 ( 2.306 0.000 3.336) 4.055 14.793 ( 5.611 0.000 4.953) 7.484 14.806 ( 2.527 0.000 -6.149) 6.649 15.201 ( 0.830 0.000 -1.589) 1.793 15.245 ( -5.654 0.000 -5.886) 8.162 15.377 ( 2.551 0.000 2.339) 3.461 15.569 ( -9.732 0.000 0.072) 9.732 15.607 ( -14.761 0.000 5.414) 15.722 15.758 ( -5.379 0.000 -0.899) 5.453 15.960 ( -4.669 0.000 1.585) 4.931 16.095 ( -1.357 0.000 7.551) 7.672 16.120 ( -2.283 0.000 -17.689) 17.836 16.271 ( 0.939 0.000 14.825) 14.855 16.668 ( -4.687 0.000 -4.271) 6.342 16.699 ( -8.006 0.000 11.696) 14.174 16.790 ( -2.001 0.000 -9.276) 9.489 17.040 ( -2.243 0.000 7.251) 7.589 17.247 ( 1.112 0.000 -0.863) 1.408 17.597 ( 0.978 0.000 -5.639) 5.723 17.633 ( -0.626 0.000 -1.965) 2.063 17.713 ( -0.427 0.000 -4.963) 4.982 17.752 ( -6.237 0.000 -4.208) 7.524 17.776 ( -3.309 0.000 -3.140) 4.562 17.937 ( -1.369 0.000 -1.660) 2.152 18.105 ( -8.714 0.000 -0.260) 8.718 18.133 ( -5.722 0.000 7.969) 9.810 18.358 ( -2.540 0.000 -5.195) 5.783 18.373 ( 1.526 0.000 3.314) 3.648 18.435 ( -0.730 0.000 7.486) 7.521 18.546 ( -5.555 0.000 1.998) 5.903 18.750 ( -3.855 0.000 -1.786) 4.248 18.897 ( -6.741 0.000 -0.369) 6.751 19.058 ( 3.117 0.000 -6.163) 6.907 19.145 ( 1.431 0.000 1.055) 1.778 22.000 ( -0.271 0.000 -0.737) 0.785 22.022 ( -0.086 0.000 0.664) 0.670 22.124 ( -2.402 0.000 -0.492) 2.452 22.305 ( -4.252 0.000 -1.133) 4.400 22.604 ( -1.050 0.000 -1.957) 2.221 22.638 ( 0.405 0.000 1.329) 1.389 22.639 ( -1.889 0.000 -0.944) 2.112 22.804 ( -3.394 0.000 3.263) 4.708 27.193 ( 1.622 0.000 -0.612) 1.733 27.260 ( 1.749 0.000 -0.750) 1.903 27.319 ( 1.098 0.000 0.840) 1.383 27.403 ( 1.678 0.000 1.250) 2.092 27.598 ( 1.246 0.000 -0.804) 1.483 27.635 ( 1.250 0.000 -0.554) 1.368 27.803 ( -0.658 0.000 1.210) 1.378 27.823 ( -1.322 0.000 1.766) 2.206 35.717 ( 2.842 0.000 3.160) 4.250 35.827 ( -2.511 0.000 6.204) 6.693 36.004 ( 5.471 0.000 1.804) 5.761 36.219 ( 1.298 0.000 3.796) 4.012 36.386 ( -5.732 0.000 1.075) 5.832 36.455 ( 12.090 0.000 -2.901) 12.433 37.347 ( -1.532 0.000 -6.651) 6.826 37.351 ( -1.647 0.000 4.336) 4.638 37.844 ( 0.055 0.000 0.013) 0.056 38.375 ( 8.458 0.000 -10.562) 13.531 38.545 ( 15.276 0.000 -5.091) 16.102 38.645 ( 0.275 0.000 7.051) 7.056 38.706 ( 8.798 0.000 2.602) 9.174 39.356 ( 7.481 0.000 -0.195) 7.484 39.699 ( 10.842 0.000 17.148) 20.288 40.711 ( 3.708 0.000 -18.605) 18.971 ======================= Grid point 59 (23/84) ======================= q-point: ( 0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 9.338 0.000 0.660) 9.362 2.525 ( 0.510 0.000 4.038) 4.070 2.616 ( -5.137 0.000 1.003) 5.234 2.898 ( 2.459 0.000 1.801) 3.048 2.964 ( 11.757 0.000 -0.195) 11.759 3.178 ( 18.577 0.000 9.457) 20.845 3.208 ( 5.729 0.000 13.195) 14.385 3.675 ( -2.609 0.000 -5.315) 5.921 3.676 ( 10.155 0.000 -7.222) 12.461 3.707 ( -1.815 0.000 -11.339) 11.483 3.800 ( -2.793 0.000 -0.747) 2.891 4.038 ( 6.439 0.000 -15.409) 16.701 4.078 ( -9.435 0.000 0.775) 9.467 4.106 ( 13.462 0.000 12.567) 18.416 4.163 ( 7.272 0.000 -3.528) 8.082 4.269 ( 11.184 0.000 3.389) 11.686 4.449 ( 1.842 0.000 -8.310) 8.512 4.610 ( -2.693 0.000 -0.525) 2.743 4.681 ( 3.870 0.000 5.506) 6.730 4.742 ( -2.450 0.000 1.614) 2.933 4.902 ( 6.158 0.000 7.040) 9.353 5.002 ( 4.056 0.000 -0.422) 4.077 5.102 ( -0.920 0.000 1.535) 1.789 5.102 ( -3.115 0.000 1.423) 3.424 5.141 ( 0.218 0.000 4.717) 4.722 5.263 ( 0.648 0.000 -1.720) 1.838 5.283 ( -10.302 0.000 -1.913) 10.478 5.356 ( 3.538 0.000 -0.256) 3.547 5.358 ( -2.914 0.000 0.127) 2.917 5.609 ( 4.516 0.000 3.013) 5.428 5.625 ( -7.530 0.000 -4.381) 8.712 5.694 ( -2.144 0.000 -3.741) 4.312 5.782 ( -0.565 0.000 -4.508) 4.543 5.918 ( 8.147 0.000 5.070) 9.596 5.927 ( 0.429 0.000 0.869) 0.969 6.019 ( 0.816 0.000 -0.854) 1.181 6.167 ( 8.391 0.000 16.928) 18.894 6.201 ( -8.957 0.000 -6.819) 11.257 6.260 ( -2.033 0.000 -2.034) 2.876 6.395 ( -13.908 0.000 -3.940) 14.455 6.438 ( -1.078 0.000 -0.181) 1.093 6.575 ( 6.244 0.000 0.372) 6.255 6.768 ( 0.444 0.000 -6.791) 6.805 6.808 ( 5.146 0.000 5.028) 7.194 6.862 ( 8.944 0.000 0.996) 8.999 6.959 ( -2.557 0.000 2.172) 3.355 7.044 ( -2.760 0.000 -5.023) 5.732 7.087 ( 4.900 0.000 4.493) 6.648 7.117 ( 4.686 0.000 -1.892) 5.054 7.332 ( 0.942 0.000 1.991) 2.203 7.518 ( -8.957 0.000 2.440) 9.283 7.531 ( 2.087 0.000 2.683) 3.400 7.624 ( 1.797 0.000 1.767) 2.520 7.731 ( -3.104 0.000 0.919) 3.237 7.767 ( 2.911 0.000 -5.535) 6.254 7.821 ( -5.507 0.000 -0.763) 5.560 7.885 ( -2.022 0.000 -3.209) 3.793 7.986 ( -7.076 0.000 7.430) 10.260 7.992 ( 5.372 0.000 -9.362) 10.794 8.138 ( 9.787 0.000 -5.919) 11.438 8.293 ( 0.348 0.000 1.510) 1.550 8.296 ( 3.002 0.000 2.274) 3.766 8.555 ( 3.903 0.000 3.848) 5.481 8.843 ( -3.292 0.000 -3.262) 4.635 8.859 ( 8.535 0.000 0.754) 8.568 8.936 ( 10.536 0.000 -1.499) 10.642 8.986 ( 4.856 0.000 0.200) 4.860 9.094 ( -2.439 0.000 3.241) 4.057 9.159 ( -0.134 0.000 -6.990) 6.991 9.197 ( 1.145 0.000 1.961) 2.271 9.240 ( -2.075 0.000 1.604) 2.623 9.606 ( -1.447 0.000 0.001) 1.447 9.606 ( -2.310 0.000 -2.533) 3.428 9.733 ( 3.304 0.000 -1.418) 3.596 9.793 ( -0.641 0.000 2.659) 2.735 9.895 ( -2.453 0.000 3.597) 4.354 11.026 ( -4.579 0.000 3.533) 5.784 11.298 ( -2.345 0.000 -4.581) 5.146 11.490 ( -4.054 0.000 -7.332) 8.379 11.609 ( 2.394 0.000 5.980) 6.442 11.664 ( 6.344 0.000 2.804) 6.936 11.780 ( 5.704 0.000 0.784) 5.757 11.792 ( 9.318 0.000 2.849) 9.744 11.988 ( 1.369 0.000 -0.196) 1.383 12.021 ( -0.610 0.000 -4.969) 5.006 12.168 ( 3.243 0.000 7.180) 7.879 12.282 ( -3.244 0.000 -2.690) 4.214 12.354 ( 1.035 0.000 -0.318) 1.083 12.636 ( -1.129 0.000 -3.100) 3.300 12.872 ( -0.433 0.000 -0.570) 0.716 12.874 ( 0.481 0.000 2.789) 2.830 12.925 ( 4.171 0.000 -0.451) 4.195 12.966 ( -3.161 0.000 1.502) 3.500 13.240 ( -5.036 0.000 -6.293) 8.060 13.440 ( -3.361 0.000 -2.097) 3.961 13.495 ( 3.352 0.000 4.459) 5.579 13.557 ( -8.393 0.000 1.816) 8.587 13.784 ( -0.741 0.000 -3.875) 3.945 13.831 ( 8.589 0.000 1.586) 8.734 13.869 ( 7.811 0.000 -0.962) 7.870 14.293 ( -8.287 0.000 -6.659) 10.631 14.508 ( 7.021 0.000 1.945) 7.286 14.680 ( 1.870 0.000 2.009) 2.745 14.830 ( 2.793 0.000 -4.882) 5.625 14.905 ( 3.669 0.000 5.146) 6.320 15.103 ( -6.629 0.000 -4.276) 7.889 15.162 ( -3.669 0.000 -1.478) 3.955 15.248 ( -10.977 0.000 1.722) 11.112 15.309 ( -17.865 0.000 4.754) 18.487 15.562 ( 1.425 0.000 4.437) 4.661 15.683 ( -3.093 0.000 1.576) 3.471 15.834 ( -5.925 0.000 -3.302) 6.782 16.012 ( -1.255 0.000 -14.327) 14.382 16.065 ( -2.333 0.000 1.573) 2.814 16.410 ( -2.029 0.000 15.426) 15.559 16.592 ( 2.518 0.000 -4.884) 5.494 16.639 ( -3.820 0.000 -7.278) 8.220 16.681 ( -7.549 0.000 16.696) 18.323 17.055 ( -0.004 0.000 5.064) 5.064 17.216 ( -3.147 0.000 -1.639) 3.548 17.591 ( 0.226 0.000 -2.201) 2.213 17.598 ( -2.296 0.000 -0.383) 2.328 17.656 ( 1.355 0.000 -8.215) 8.326 17.700 ( 2.271 0.000 -4.719) 5.237 17.709 ( -2.560 0.000 -2.947) 3.903 17.892 ( -2.702 0.000 -3.624) 4.520 17.987 ( -3.238 0.000 3.119) 4.496 18.122 ( -0.511 0.000 6.578) 6.598 18.307 ( -0.862 0.000 -5.473) 5.540 18.393 ( -1.094 0.000 2.753) 2.962 18.443 ( -5.936 0.000 0.527) 5.959 18.458 ( -0.874 0.000 6.778) 6.834 18.670 ( -3.550 0.000 -1.972) 4.060 18.781 ( -5.114 0.000 -1.415) 5.306 19.083 ( 2.538 0.000 -4.065) 4.793 19.172 ( 1.112 0.000 -0.046) 1.112 21.994 ( 0.030 0.000 -0.547) 0.547 22.023 ( -0.218 0.000 0.403) 0.458 22.088 ( -1.274 0.000 0.098) 1.278 22.232 ( -2.943 0.000 -0.811) 3.053 22.582 ( -0.353 0.000 -1.059) 1.116 22.607 ( -1.084 0.000 -0.123) 1.091 22.648 ( 0.109 0.000 0.495) 0.507 22.758 ( -3.009 0.000 1.844) 3.529 27.227 ( 2.028 0.000 -0.011) 2.028 27.289 ( 1.587 0.000 -0.384) 1.633 27.337 ( 0.368 0.000 0.603) 0.706 27.425 ( 0.252 0.000 0.713) 0.756 27.619 ( 1.295 0.000 -0.519) 1.395 27.653 ( 1.109 0.000 -0.843) 1.393 27.794 ( -0.830 0.000 0.627) 1.040 27.801 ( -1.715 0.000 1.283) 2.142 35.770 ( 0.593 0.000 4.434) 4.473 35.827 ( -1.377 0.000 6.182) 6.333 36.133 ( 7.414 0.000 0.028) 7.414 36.262 ( 1.619 0.000 3.025) 3.431 36.301 ( -3.840 0.000 0.449) 3.866 36.649 ( 9.459 0.000 -1.163) 9.530 37.266 ( -2.328 0.000 -8.417) 8.732 37.293 ( -6.160 0.000 2.626) 6.697 37.856 ( 0.984 0.000 1.238) 1.582 38.387 ( 1.682 0.000 -11.783) 11.903 38.757 ( 4.390 0.000 9.904) 10.833 38.778 ( 11.256 0.000 -1.623) 11.373 38.865 ( 6.340 0.000 2.954) 6.994 39.459 ( 6.057 0.000 -5.989) 8.517 39.934 ( 3.587 0.000 16.719) 17.100 40.699 ( 4.466 0.000 -13.872) 14.574 ======================= Grid point 60 (24/84) ======================= q-point: ( 0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 7.060 0.000 0.854) 7.112 2.504 ( -2.729 0.000 0.608) 2.796 2.536 ( -2.736 0.000 5.872) 6.479 2.944 ( 0.996 0.000 1.624) 1.905 3.144 ( 2.455 0.000 2.796) 3.721 3.363 ( 2.871 0.000 10.904) 11.276 3.468 ( 0.280 0.000 -3.664) 3.674 3.575 ( -0.333 0.000 1.023) 1.076 3.596 ( 4.888 0.000 -7.118) 8.635 3.751 ( -4.902 0.000 2.515) 5.509 3.796 ( 0.350 0.000 -4.862) 4.874 3.917 ( -2.443 0.000 -2.055) 3.192 4.121 ( 11.290 0.000 -17.929) 21.188 4.336 ( 4.873 0.000 1.683) 5.156 4.337 ( 11.412 0.000 -2.190) 11.620 4.450 ( 4.199 0.000 0.548) 4.234 4.475 ( 2.952 0.000 7.744) 8.288 4.522 ( -3.799 0.000 -4.570) 5.943 4.711 ( -1.220 0.000 2.822) 3.074 4.741 ( -2.367 0.000 4.867) 5.412 4.915 ( -5.034 0.000 1.948) 5.398 5.020 ( -5.535 0.000 4.536) 7.156 5.047 ( -8.631 0.000 -2.902) 9.106 5.062 ( -0.633 0.000 0.885) 1.088 5.091 ( -0.751 0.000 1.323) 1.521 5.125 ( -2.271 0.000 1.993) 3.022 5.283 ( 3.528 0.000 -1.933) 4.023 5.317 ( -4.979 0.000 3.291) 5.968 5.357 ( 4.416 0.000 1.479) 4.657 5.593 ( 5.335 0.000 -6.810) 8.651 5.594 ( -7.341 0.000 -7.829) 10.733 5.678 ( 4.631 0.000 -3.928) 6.073 5.891 ( -4.690 0.000 3.259) 5.711 5.924 ( 5.872 0.000 -1.586) 6.083 6.005 ( -7.834 0.000 -4.012) 8.802 6.053 ( 2.153 0.000 -0.610) 2.238 6.132 ( -0.818 0.000 -2.520) 2.650 6.156 ( 10.609 0.000 2.087) 10.813 6.225 ( -1.182 0.000 2.629) 2.882 6.386 ( -3.900 0.000 0.905) 4.003 6.425 ( 6.898 0.000 14.353) 15.924 6.641 ( 2.147 0.000 -1.367) 2.545 6.703 ( -1.569 0.000 -7.999) 8.151 6.900 ( 1.800 0.000 4.788) 5.116 6.949 ( -5.341 0.000 0.848) 5.408 6.968 ( 2.256 0.000 1.534) 2.728 7.072 ( 10.529 0.000 0.700) 10.553 7.166 ( 0.713 0.000 0.513) 0.878 7.211 ( 5.283 0.000 2.922) 6.038 7.356 ( 1.349 0.000 3.148) 3.425 7.387 ( -5.177 0.000 1.680) 5.443 7.544 ( -2.690 0.000 3.784) 4.643 7.580 ( -14.105 0.000 6.967) 15.732 7.616 ( -3.721 0.000 -0.524) 3.758 7.760 ( -4.251 0.000 3.299) 5.381 7.762 ( 0.612 0.000 -2.303) 2.383 7.844 ( -0.997 0.000 -2.986) 3.148 7.981 ( 1.244 0.000 -6.257) 6.379 7.993 ( 7.086 0.000 -4.613) 8.455 8.188 ( -3.582 0.000 0.212) 3.589 8.282 ( -0.614 0.000 -3.007) 3.069 8.496 ( 13.243 0.000 -7.369) 15.155 8.584 ( -3.315 0.000 7.575) 8.268 8.796 ( 2.929 0.000 -5.126) 5.904 8.960 ( 1.583 0.000 -3.562) 3.898 9.022 ( 0.306 0.000 -7.863) 7.869 9.056 ( -2.913 0.000 3.037) 4.208 9.091 ( 4.342 0.000 -4.633) 6.350 9.216 ( 3.119 0.000 9.209) 9.723 9.223 ( 0.489 0.000 1.443) 1.524 9.239 ( 5.157 0.000 0.877) 5.231 9.555 ( -2.530 0.000 -0.333) 2.551 9.580 ( -1.469 0.000 1.514) 2.109 9.759 ( -1.247 0.000 -0.140) 1.255 9.804 ( 1.834 0.000 0.162) 1.841 9.881 ( -0.404 0.000 1.001) 1.079 10.996 ( -1.091 0.000 6.013) 6.111 11.227 ( -1.750 0.000 -5.998) 6.248 11.393 ( -1.577 0.000 -8.458) 8.604 11.658 ( -1.017 0.000 5.210) 5.308 11.782 ( 4.060 0.000 3.561) 5.400 11.837 ( 1.207 0.000 -4.553) 4.710 11.917 ( 0.957 0.000 2.413) 2.596 12.012 ( 0.972 0.000 1.736) 1.990 12.048 ( 5.885 0.000 0.631) 5.919 12.158 ( -5.026 0.000 -2.158) 5.470 12.257 ( -0.503 0.000 3.001) 3.042 12.347 ( -0.893 0.000 -0.076) 0.896 12.630 ( 2.218 0.000 -0.083) 2.219 12.867 ( -0.229 0.000 -2.399) 2.410 12.892 ( 0.958 0.000 2.091) 2.300 12.949 ( -1.112 0.000 3.593) 3.761 12.966 ( 1.705 0.000 -2.031) 2.652 13.174 ( 1.050 0.000 -3.932) 4.070 13.381 ( -0.777 0.000 -3.057) 3.154 13.399 ( -6.614 0.000 1.066) 6.700 13.543 ( -2.130 0.000 1.933) 2.876 13.757 ( 0.059 0.000 -4.738) 4.739 13.978 ( 2.670 0.000 0.013) 2.670 13.994 ( 5.583 0.000 -1.448) 5.768 14.225 ( 4.965 0.000 -0.335) 4.976 14.604 ( 0.110 0.000 -3.379) 3.381 14.678 ( -3.407 0.000 1.415) 3.689 14.820 ( 0.868 0.000 -5.852) 5.916 14.977 ( -1.499 0.000 4.068) 4.336 15.035 ( 1.991 0.000 4.535) 4.953 15.064 ( -1.714 0.000 0.329) 1.746 15.111 ( -5.301 0.000 3.876) 6.566 15.123 ( -3.782 0.000 5.241) 6.463 15.568 ( -2.150 0.000 2.923) 3.628 15.652 ( -1.431 0.000 2.383) 2.780 15.762 ( 1.001 0.000 -7.431) 7.498 15.923 ( -1.177 0.000 -9.247) 9.322 16.029 ( -1.886 0.000 -0.661) 1.999 16.295 ( -10.083 0.000 -1.451) 10.187 16.488 ( -5.510 0.000 -6.087) 8.211 16.699 ( -2.206 0.000 15.912) 16.064 16.732 ( 7.316 0.000 7.706) 10.626 17.087 ( 0.769 0.000 4.804) 4.865 17.151 ( -2.270 0.000 -0.965) 2.467 17.567 ( -0.740 0.000 0.202) 0.767 17.586 ( 0.080 0.000 -1.300) 1.303 17.654 ( -0.775 0.000 -3.687) 3.768 17.694 ( 5.626 0.000 -8.063) 9.832 17.726 ( 2.562 0.000 -4.278) 4.986 17.824 ( -1.735 0.000 -2.829) 3.318 17.995 ( 1.022 0.000 3.748) 3.885 18.159 ( -0.212 0.000 7.433) 7.436 18.255 ( -1.994 0.000 -4.545) 4.963 18.344 ( -3.404 0.000 -2.284) 4.099 18.377 ( -2.007 0.000 2.828) 3.468 18.477 ( -0.265 0.000 4.924) 4.931 18.605 ( -2.011 0.000 -2.287) 3.045 18.697 ( -2.791 0.000 -2.689) 3.876 19.113 ( 2.565 0.000 -2.047) 3.282 19.184 ( 0.518 0.000 -1.142) 1.254 21.996 ( 0.390 0.000 -0.242) 0.459 22.016 ( -0.578 0.000 -0.241) 0.626 22.080 ( 0.014 0.000 0.957) 0.957 22.189 ( -1.244 0.000 -0.842) 1.502 22.579 ( 0.303 0.000 -0.075) 0.312 22.603 ( 0.426 0.000 0.958) 1.048 22.648 ( -0.186 0.000 -0.382) 0.425 22.713 ( -2.500 0.000 0.436) 2.537 27.262 ( 1.397 0.000 0.551) 1.502 27.315 ( 1.240 0.000 0.570) 1.364 27.337 ( -0.487 0.000 -0.015) 0.487 27.422 ( -0.741 0.000 -0.156) 0.757 27.639 ( 1.069 0.000 -0.140) 1.078 27.668 ( 1.096 0.000 -1.120) 1.567 27.775 ( -1.714 0.000 1.034) 2.002 27.779 ( -0.915 0.000 0.177) 0.932 35.785 ( -1.223 0.000 3.815) 4.006 35.829 ( -2.215 0.000 6.071) 6.463 36.232 ( 0.828 0.000 4.260) 4.340 36.249 ( -1.637 0.000 -0.536) 1.723 36.342 ( 6.526 0.000 0.976) 6.599 36.756 ( 1.997 0.000 -2.335) 3.073 37.177 ( -6.247 0.000 -0.301) 6.254 37.225 ( 3.587 0.000 -6.238) 7.196 37.881 ( 0.434 0.000 2.154) 2.197 38.356 ( 1.059 0.000 -9.580) 9.638 38.856 ( 0.908 0.000 7.503) 7.557 38.918 ( 2.028 0.000 4.839) 5.247 38.977 ( 5.616 0.000 -0.445) 5.634 39.513 ( 3.502 0.000 -8.016) 8.747 39.997 ( -4.891 0.000 12.622) 13.537 40.736 ( 6.112 0.000 -9.397) 11.210 ======================= Grid point 61 (25/84) ======================= q-point: (-0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( -3.082 0.000 -1.244) 3.323 2.472 ( -0.048 0.000 2.814) 2.815 2.668 ( 7.535 0.000 10.003) 12.523 2.929 ( -3.554 0.000 -2.757) 4.498 3.067 ( -8.877 0.000 1.163) 8.953 3.169 ( -22.134 0.000 -2.809) 22.311 3.415 ( -0.991 0.000 3.486) 3.624 3.645 ( -5.939 0.000 6.736) 8.980 3.665 ( -0.024 0.000 -10.655) 10.655 3.692 ( 5.120 0.000 3.602) 6.260 3.785 ( 6.730 0.000 -1.043) 6.811 3.959 ( 3.481 0.000 0.051) 3.481 4.203 ( 3.460 0.000 -10.063) 10.642 4.277 ( -15.536 0.000 -0.867) 15.560 4.384 ( -7.581 0.000 -2.920) 8.124 4.433 ( 6.374 0.000 -5.872) 8.666 4.528 ( 7.828 0.000 0.236) 7.832 4.598 ( -0.550 0.000 2.243) 2.309 4.661 ( -4.468 0.000 1.674) 4.771 4.752 ( 2.858 0.000 3.378) 4.425 4.819 ( -1.768 0.000 -4.075) 4.442 4.887 ( -6.729 0.000 7.890) 10.369 4.993 ( 3.110 0.000 -2.988) 4.313 5.095 ( -1.847 0.000 1.735) 2.534 5.119 ( -1.638 0.000 4.409) 4.703 5.166 ( 8.001 0.000 2.075) 8.265 5.230 ( -0.826 0.000 -0.091) 0.831 5.376 ( -4.031 0.000 -0.611) 4.077 5.435 ( 1.354 0.000 -0.132) 1.361 5.453 ( 3.970 0.000 -6.209) 7.369 5.710 ( 10.010 0.000 -7.268) 12.370 5.719 ( -12.869 0.000 -4.922) 13.778 5.732 ( 1.005 0.000 -1.184) 1.553 5.794 ( -7.036 0.000 4.816) 8.526 5.906 ( -3.362 0.000 2.352) 4.102 6.097 ( 4.557 0.000 -5.758) 7.343 6.261 ( 1.743 0.000 7.405) 7.607 6.281 ( 6.449 0.000 2.350) 6.864 6.333 ( -1.151 0.000 -0.783) 1.392 6.371 ( 8.874 0.000 4.322) 9.871 6.568 ( 4.302 0.000 -3.798) 5.738 6.642 ( -1.097 0.000 -5.905) 6.006 6.685 ( 1.469 0.000 7.378) 7.523 6.860 ( -7.015 0.000 8.648) 11.135 6.928 ( -1.298 0.000 4.001) 4.206 7.026 ( 2.089 0.000 2.766) 3.466 7.114 ( -5.020 0.000 1.216) 5.165 7.162 ( 0.997 0.000 -4.611) 4.717 7.352 ( 0.564 0.000 2.174) 2.246 7.369 ( -2.777 0.000 7.790) 8.270 7.372 ( -2.513 0.000 3.344) 4.183 7.430 ( 8.844 0.000 -1.396) 8.954 7.471 ( -7.407 0.000 3.658) 8.261 7.542 ( -0.777 0.000 -3.152) 3.247 7.679 ( -6.101 0.000 5.140) 7.978 7.770 ( -0.704 0.000 -2.367) 2.469 7.843 ( 3.091 0.000 -5.131) 5.990 7.976 ( 1.209 0.000 -6.688) 6.796 8.082 ( 4.892 0.000 -10.113) 11.234 8.095 ( -4.739 0.000 -0.869) 4.818 8.272 ( 1.277 0.000 0.479) 1.364 8.543 ( -2.575 0.000 -3.819) 4.606 8.548 ( -4.645 0.000 8.218) 9.440 8.867 ( -2.088 0.000 -2.560) 3.304 8.921 ( -5.704 0.000 -5.749) 8.098 8.935 ( 6.028 0.000 -6.579) 8.923 9.044 ( -0.581 0.000 1.933) 2.018 9.159 ( 4.244 0.000 -0.575) 4.282 9.184 ( -5.851 0.000 1.019) 5.939 9.215 ( -2.891 0.000 3.557) 4.584 9.402 ( 5.637 0.000 4.384) 7.141 9.503 ( -2.092 0.000 -3.863) 4.393 9.579 ( -0.013 0.000 3.184) 3.184 9.742 ( 0.146 0.000 2.020) 2.025 9.823 ( -0.080 0.000 -0.317) 0.327 9.878 ( -0.657 0.000 0.358) 0.748 11.042 ( 1.837 0.000 6.831) 7.073 11.182 ( 0.313 0.000 -5.489) 5.498 11.351 ( 1.441 0.000 -6.219) 6.384 11.608 ( -5.668 0.000 -0.021) 5.668 11.788 ( -1.940 0.000 -7.735) 7.975 11.833 ( -0.554 0.000 0.767) 0.946 11.922 ( -0.444 0.000 4.331) 4.354 12.035 ( -2.707 0.000 3.020) 4.056 12.071 ( -1.919 0.000 1.800) 2.631 12.159 ( 2.839 0.000 4.721) 5.509 12.219 ( -3.130 0.000 -1.287) 3.384 12.349 ( 1.392 0.000 -0.310) 1.426 12.709 ( 4.746 0.000 2.353) 5.298 12.817 ( -2.621 0.000 -4.050) 4.824 12.899 ( -3.028 0.000 2.317) 3.813 12.981 ( 4.199 0.000 2.255) 4.766 13.013 ( 2.160 0.000 0.386) 2.194 13.149 ( -0.076 0.000 -4.120) 4.120 13.391 ( 3.011 0.000 -2.299) 3.789 13.392 ( 5.117 0.000 -2.327) 5.621 13.483 ( -3.173 0.000 1.507) 3.513 13.737 ( 0.439 0.000 -3.858) 3.883 13.933 ( -5.940 0.000 -0.692) 5.980 14.033 ( -1.211 0.000 -0.577) 1.342 14.353 ( 4.514 0.000 3.544) 5.739 14.453 ( -9.358 0.000 -5.944) 11.086 14.640 ( 1.060 0.000 -0.940) 1.417 14.904 ( 8.351 0.000 -3.890) 9.213 14.909 ( -4.200 0.000 4.298) 6.010 15.034 ( -2.116 0.000 0.083) 2.117 15.154 ( 4.563 0.000 2.771) 5.339 15.176 ( 7.013 0.000 5.845) 9.129 15.208 ( 8.724 0.000 6.669) 10.981 15.557 ( -0.323 0.000 4.927) 4.938 15.661 ( 1.360 0.000 2.617) 2.950 15.763 ( 4.974 0.000 -13.794) 14.663 15.894 ( 1.220 0.000 -1.038) 1.602 15.972 ( -4.344 0.000 -4.029) 5.925 16.096 ( -8.203 0.000 -3.008) 8.737 16.410 ( 0.563 0.000 -5.322) 5.351 16.746 ( -0.984 0.000 12.846) 12.883 16.875 ( 2.805 0.000 8.538) 8.987 17.136 ( 1.599 0.000 5.270) 5.508 17.140 ( 1.830 0.000 -0.927) 2.051 17.571 ( -0.130 0.000 -3.451) 3.454 17.572 ( 1.014 0.000 0.180) 1.029 17.643 ( 1.708 0.000 -3.461) 3.859 17.741 ( 1.170 0.000 -3.063) 3.279 17.760 ( 4.873 0.000 -5.774) 7.555 17.818 ( 2.917 0.000 -3.337) 4.432 18.043 ( 1.779 0.000 3.059) 3.539 18.154 ( -4.939 0.000 8.084) 9.473 18.195 ( -1.976 0.000 -1.990) 2.804 18.309 ( 0.834 0.000 -3.324) 3.427 18.364 ( -0.729 0.000 2.171) 2.290 18.503 ( 0.768 0.000 3.415) 3.500 18.590 ( 2.227 0.000 -2.446) 3.307 18.650 ( -0.370 0.000 -4.130) 4.146 19.159 ( 3.066 0.000 -0.482) 3.103 19.180 ( -0.091 0.000 -1.803) 1.805 22.002 ( -0.532 0.000 -0.561) 0.773 22.005 ( 0.600 0.000 0.122) 0.612 22.096 ( 0.999 0.000 1.393) 1.714 22.177 ( 0.562 0.000 -1.315) 1.430 22.593 ( 1.054 0.000 0.595) 1.211 22.632 ( 1.751 0.000 2.059) 2.703 22.637 ( -0.573 0.000 -0.962) 1.120 22.672 ( -1.782 0.000 -0.904) 1.998 27.281 ( 0.198 0.000 1.306) 1.320 27.320 ( -1.081 0.000 -0.703) 1.290 27.339 ( 0.669 0.000 1.528) 1.667 27.399 ( -1.333 0.000 -1.110) 1.735 27.655 ( 0.599 0.000 0.249) 0.649 27.682 ( 1.060 0.000 -1.536) 1.866 27.750 ( -1.618 0.000 1.100) 1.956 27.763 ( -0.851 0.000 -0.093) 0.856 35.768 ( -2.459 0.000 3.158) 4.002 35.800 ( -4.165 0.000 5.361) 6.788 36.227 ( -3.660 0.000 5.036) 6.226 36.238 ( 1.107 0.000 -1.792) 2.107 36.473 ( 4.822 0.000 5.666) 7.440 36.710 ( -3.659 0.000 -4.166) 5.545 37.089 ( -1.086 0.000 -4.882) 5.001 37.331 ( 8.623 0.000 -1.884) 8.827 37.886 ( -1.293 0.000 2.499) 2.814 38.319 ( 0.197 0.000 -9.608) 9.610 38.866 ( -3.309 0.000 5.397) 6.331 38.915 ( -4.552 0.000 5.549) 7.177 39.053 ( 1.791 0.000 1.682) 2.457 39.497 ( -0.497 0.000 -9.008) 9.022 39.897 ( -11.791 0.000 9.688) 15.260 40.824 ( 7.701 0.000 -6.049) 9.792 ======================= Grid point 62 (26/84) ======================= q-point: (-0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( -8.412 0.000 -0.278) 8.416 2.498 ( -0.975 0.000 6.859) 6.928 2.583 ( -24.685 0.000 -9.255) 26.363 2.832 ( 2.601 0.000 7.120) 7.580 2.867 ( -12.973 0.000 3.140) 13.348 2.942 ( -4.718 0.000 4.251) 6.350 3.349 ( -5.913 0.000 5.232) 7.895 3.601 ( -2.264 0.000 -5.922) 6.340 3.622 ( 4.400 0.000 -4.209) 6.090 3.772 ( -1.509 0.000 4.551) 4.795 3.889 ( 3.332 0.000 -2.703) 4.290 3.965 ( -11.645 0.000 0.521) 11.657 4.026 ( -1.375 0.000 -3.784) 4.026 4.147 ( -4.395 0.000 -0.351) 4.409 4.268 ( -3.185 0.000 2.718) 4.188 4.434 ( -3.932 0.000 -11.158) 11.830 4.503 ( -6.947 0.000 3.549) 7.801 4.536 ( 1.496 0.000 -9.170) 9.291 4.734 ( 6.282 0.000 2.092) 6.621 4.771 ( -2.073 0.000 2.734) 3.431 4.852 ( 1.682 0.000 2.034) 2.639 4.870 ( 0.356 0.000 3.891) 3.907 4.924 ( -17.615 0.000 -1.817) 17.708 5.066 ( 3.417 0.000 -0.517) 3.456 5.120 ( 1.320 0.000 3.264) 3.521 5.191 ( -2.552 0.000 -6.001) 6.521 5.340 ( 5.582 0.000 0.483) 5.603 5.344 ( 3.563 0.000 -2.039) 4.105 5.413 ( 1.699 0.000 -1.351) 2.171 5.517 ( 1.384 0.000 4.718) 4.916 5.546 ( -5.133 0.000 3.221) 6.060 5.703 ( -5.470 0.000 5.716) 7.912 5.721 ( 0.235 0.000 -1.165) 1.189 5.814 ( 3.723 0.000 -4.184) 5.601 5.901 ( 0.993 0.000 1.762) 2.023 6.175 ( 6.544 0.000 -6.375) 9.136 6.282 ( -8.968 0.000 11.592) 14.656 6.293 ( -4.732 0.000 -4.411) 6.469 6.314 ( 1.348 0.000 0.204) 1.363 6.493 ( -0.255 0.000 5.823) 5.828 6.596 ( 2.066 0.000 -5.633) 5.999 6.634 ( 2.037 0.000 0.007) 2.037 6.725 ( 3.855 0.000 -2.785) 4.755 6.825 ( -2.109 0.000 10.952) 11.153 6.892 ( -4.296 0.000 3.648) 5.636 7.028 ( -3.916 0.000 1.367) 4.148 7.060 ( -0.541 0.000 2.999) 3.048 7.137 ( -2.302 0.000 -5.414) 5.883 7.299 ( -7.514 0.000 3.667) 8.361 7.347 ( 3.087 0.000 2.677) 4.086 7.367 ( -2.121 0.000 -0.474) 2.173 7.469 ( 4.389 0.000 -2.654) 5.129 7.544 ( 1.162 0.000 -3.344) 3.540 7.584 ( 0.031 0.000 1.354) 1.354 7.623 ( 5.231 0.000 -0.551) 5.260 7.672 ( -6.559 0.000 -2.783) 7.125 7.909 ( 6.121 0.000 -3.255) 6.933 7.916 ( -1.429 0.000 -9.649) 9.754 8.085 ( 3.283 0.000 -0.067) 3.284 8.098 ( 3.218 0.000 -5.077) 6.011 8.308 ( 0.167 0.000 1.508) 1.517 8.413 ( -9.908 0.000 -0.076) 9.908 8.488 ( -5.965 0.000 6.305) 8.680 8.798 ( -4.564 0.000 0.736) 4.623 8.818 ( 1.464 0.000 -5.082) 5.288 8.978 ( -4.829 0.000 3.207) 5.797 9.006 ( -3.569 0.000 -1.132) 3.744 9.090 ( -0.836 0.000 0.691) 1.085 9.158 ( -4.576 0.000 2.489) 5.209 9.240 ( 4.213 0.000 0.292) 4.223 9.452 ( 0.260 0.000 -7.885) 7.889 9.497 ( 3.756 0.000 0.709) 3.822 9.596 ( -0.902 0.000 5.352) 5.428 9.731 ( -2.962 0.000 -1.753) 3.442 9.854 ( 3.527 0.000 4.557) 5.762 9.858 ( -1.529 0.000 0.492) 1.606 11.108 ( 1.770 0.000 3.394) 3.827 11.181 ( 1.987 0.000 -3.534) 4.054 11.390 ( 4.246 0.000 0.662) 4.298 11.481 ( -5.855 0.000 -3.880) 7.024 11.708 ( -3.703 0.000 -3.939) 5.407 11.763 ( -6.383 0.000 -0.537) 6.405 11.922 ( -7.041 0.000 -1.155) 7.135 11.957 ( 0.521 0.000 6.198) 6.220 12.081 ( -2.386 0.000 4.195) 4.826 12.174 ( 0.543 0.000 -2.556) 2.614 12.209 ( 1.155 0.000 3.202) 3.404 12.349 ( -2.551 0.000 -1.297) 2.862 12.757 ( -0.479 0.000 -4.680) 4.704 12.805 ( 3.611 0.000 1.670) 3.979 12.841 ( -3.483 0.000 2.813) 4.477 12.980 ( -3.994 0.000 2.864) 4.915 13.077 ( 4.679 0.000 -1.009) 4.786 13.255 ( 11.149 0.000 -4.765) 12.124 13.366 ( -4.374 0.000 -0.643) 4.421 13.451 ( 3.529 0.000 1.004) 3.669 13.582 ( 9.493 0.000 0.044) 9.494 13.736 ( 0.442 0.000 -1.745) 1.800 13.806 ( -5.246 0.000 0.606) 5.281 13.948 ( -6.765 0.000 -0.400) 6.777 14.284 ( -4.719 0.000 -5.325) 7.116 14.414 ( 1.178 0.000 0.755) 1.399 14.676 ( 2.334 0.000 -1.848) 2.977 14.887 ( -1.762 0.000 7.475) 7.680 14.969 ( -1.741 0.000 -2.717) 3.227 15.065 ( 7.611 0.000 -3.395) 8.334 15.271 ( 5.297 0.000 0.892) 5.372 15.345 ( 2.740 0.000 -1.055) 2.936 15.347 ( 8.277 0.000 4.780) 9.558 15.653 ( 7.390 0.000 7.919) 10.832 15.725 ( -0.535 0.000 3.898) 3.935 15.816 ( -2.815 0.000 -6.227) 6.834 15.832 ( 9.619 0.000 -8.996) 13.170 15.948 ( 4.104 0.000 1.401) 4.336 16.003 ( -2.689 0.000 -0.570) 2.749 16.447 ( 5.947 0.000 -5.188) 7.892 16.796 ( 0.193 0.000 9.262) 9.264 16.925 ( -1.018 0.000 7.117) 7.189 17.188 ( 2.726 0.000 -1.122) 2.948 17.202 ( 2.479 0.000 5.601) 6.125 17.561 ( 1.775 0.000 -5.607) 5.882 17.606 ( 2.901 0.000 -0.611) 2.965 17.679 ( 4.415 0.000 -4.250) 6.128 17.748 ( 1.141 0.000 -2.479) 2.729 17.808 ( 2.826 0.000 -3.157) 4.237 17.887 ( 6.323 0.000 -4.985) 8.052 18.072 ( 0.943 0.000 0.206) 0.965 18.086 ( -5.838 0.000 6.555) 8.778 18.198 ( 1.671 0.000 4.991) 5.264 18.303 ( -0.485 0.000 -0.770) 0.910 18.381 ( 2.099 0.000 -0.054) 2.100 18.538 ( 1.237 0.000 2.690) 2.960 18.642 ( 2.428 0.000 -5.651) 6.151 18.660 ( 5.873 0.000 -1.597) 6.086 19.164 ( -0.554 0.000 -2.046) 2.120 19.218 ( 3.192 0.000 0.641) 3.256 21.993 ( -0.161 0.000 -0.623) 0.644 22.018 ( 0.616 0.000 0.415) 0.743 22.130 ( 1.777 0.000 1.621) 2.405 22.193 ( 1.968 0.000 -2.415) 3.116 22.617 ( -1.004 0.000 -0.783) 1.274 22.623 ( 1.654 0.000 0.779) 1.829 22.638 ( -1.013 0.000 -2.262) 2.478 22.684 ( 2.316 0.000 2.896) 3.708 27.285 ( -0.695 0.000 2.159) 2.268 27.293 ( -1.263 0.000 -1.213) 1.752 27.352 ( -0.446 0.000 2.142) 2.188 27.362 ( -1.718 0.000 -1.899) 2.561 27.663 ( -0.009 0.000 0.425) 0.425 27.688 ( 0.670 0.000 -2.270) 2.367 27.728 ( -1.544 0.000 1.601) 2.224 27.749 ( -0.624 0.000 0.067) 0.628 35.732 ( -3.037 0.000 3.055) 4.308 35.736 ( -4.937 0.000 3.501) 6.053 36.149 ( -7.431 0.000 5.074) 8.998 36.271 ( 3.737 0.000 -2.596) 4.551 36.569 ( 0.833 0.000 11.736) 11.766 36.615 ( -4.125 0.000 -2.897) 5.041 37.092 ( 4.834 0.000 -8.794) 10.035 37.473 ( 6.121 0.000 0.653) 6.156 37.864 ( -2.152 0.000 2.248) 3.112 38.255 ( -1.732 0.000 -10.693) 10.832 38.800 ( -5.454 0.000 1.081) 5.560 38.825 ( -8.103 0.000 6.408) 10.331 39.058 ( -2.799 0.000 4.172) 5.024 39.406 ( -4.018 0.000 -8.312) 9.232 39.683 ( -15.967 0.000 9.595) 18.628 40.951 ( 8.880 0.000 -4.923) 10.153 ======================= Grid point 63 (27/84) ======================= q-point: (-0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( -32.535 0.000 7.073) 33.295 2.306 ( -5.303 0.000 -8.270) 9.824 2.339 ( -27.635 0.000 13.063) 30.567 2.646 ( -1.332 0.000 -1.564) 2.055 2.903 ( -1.931 0.000 3.461) 3.963 2.927 ( 0.942 0.000 8.037) 8.092 3.375 ( 4.034 0.000 7.700) 8.693 3.497 ( -8.830 0.000 0.475) 8.842 3.632 ( -8.581 0.000 -10.501) 13.561 3.718 ( -11.491 0.000 1.382) 11.574 3.721 ( 5.161 0.000 -0.750) 5.215 3.851 ( -7.570 0.000 -14.642) 16.483 3.914 ( -15.709 0.000 1.381) 15.770 4.073 ( -3.881 0.000 2.122) 4.423 4.162 ( -16.822 0.000 -8.383) 18.795 4.303 ( -3.574 0.000 3.841) 5.246 4.417 ( 2.291 0.000 5.511) 5.968 4.531 ( -6.637 0.000 -17.414) 18.636 4.575 ( 3.358 0.000 -0.548) 3.403 4.755 ( -1.294 0.000 2.617) 2.919 4.835 ( 1.834 0.000 3.784) 4.205 4.899 ( 0.612 0.000 2.272) 2.353 4.917 ( 2.575 0.000 7.561) 7.987 5.088 ( -0.154 0.000 -2.759) 2.763 5.180 ( 1.564 0.000 2.294) 2.776 5.186 ( 2.060 0.000 3.671) 4.210 5.284 ( -3.462 0.000 -0.191) 3.468 5.387 ( 1.242 0.000 -3.212) 3.444 5.435 ( -5.128 0.000 7.754) 9.296 5.526 ( -2.825 0.000 2.750) 3.942 5.636 ( 3.218 0.000 8.309) 8.911 5.703 ( 7.292 0.000 3.396) 8.044 5.751 ( 4.173 0.000 -1.427) 4.410 5.852 ( 2.464 0.000 -3.446) 4.236 5.946 ( 3.196 0.000 -0.324) 3.213 6.133 ( -7.054 0.000 -5.138) 8.727 6.174 ( -7.969 0.000 9.036) 12.048 6.213 ( -2.997 0.000 -3.052) 4.277 6.237 ( -8.475 0.000 -2.351) 8.795 6.417 ( -6.764 0.000 -0.802) 6.812 6.571 ( -2.606 0.000 0.792) 2.723 6.626 ( -3.985 0.000 -0.567) 4.025 6.773 ( -1.629 0.000 -5.386) 5.627 6.856 ( 1.117 0.000 -4.198) 4.344 6.896 ( 3.228 0.000 8.403) 9.002 6.962 ( -10.759 0.000 4.314) 11.591 6.997 ( 3.923 0.000 -5.650) 6.879 7.066 ( -3.226 0.000 -4.683) 5.687 7.160 ( -6.589 0.000 4.133) 7.778 7.387 ( -3.079 0.000 3.313) 4.523 7.405 ( 4.889 0.000 1.153) 5.023 7.484 ( 0.300 0.000 -0.167) 0.343 7.527 ( -0.098 0.000 -5.515) 5.516 7.610 ( 6.347 0.000 -6.588) 9.148 7.613 ( 3.754 0.000 -6.944) 7.894 7.742 ( 5.536 0.000 0.065) 5.537 7.877 ( 1.677 0.000 -7.185) 7.378 7.978 ( -0.047 0.000 1.216) 1.217 8.149 ( -2.343 0.000 1.960) 3.055 8.153 ( -0.388 0.000 -0.412) 0.566 8.230 ( -4.978 0.000 1.526) 5.207 8.289 ( 6.263 0.000 -6.540) 9.055 8.466 ( -0.185 0.000 9.806) 9.808 8.778 ( 0.189 0.000 3.622) 3.627 8.832 ( -8.544 0.000 8.180) 11.829 8.853 ( 2.052 0.000 -4.037) 4.528 8.971 ( 0.102 0.000 -1.596) 1.599 9.085 ( -4.356 0.000 2.523) 5.034 9.114 ( 1.140 0.000 -0.250) 1.168 9.290 ( 0.060 0.000 0.500) 0.504 9.421 ( 0.435 0.000 -7.493) 7.505 9.577 ( 5.119 0.000 0.482) 5.142 9.601 ( -0.761 0.000 3.298) 3.384 9.659 ( -2.384 0.000 -2.570) 3.505 9.843 ( 0.206 0.000 0.383) 0.435 9.963 ( 4.718 0.000 5.382) 7.157 11.135 ( -0.624 0.000 1.582) 1.700 11.206 ( 1.218 0.000 -0.283) 1.251 11.378 ( -3.730 0.000 -1.531) 4.032 11.475 ( 0.517 0.000 4.086) 4.118 11.587 ( -6.924 0.000 -2.310) 7.299 11.635 ( -4.270 0.000 1.050) 4.397 11.832 ( -0.898 0.000 -1.848) 2.054 11.975 ( -1.913 0.000 2.352) 3.032 12.007 ( -5.166 0.000 -3.539) 6.262 12.201 ( 1.672 0.000 0.783) 1.846 12.242 ( -0.397 0.000 0.207) 0.448 12.264 ( -2.309 0.000 0.265) 2.324 12.755 ( 1.878 0.000 -3.941) 4.365 12.777 ( -2.982 0.000 0.756) 3.076 12.885 ( 1.790 0.000 4.063) 4.440 12.934 ( -2.596 0.000 3.003) 3.970 13.130 ( 2.699 0.000 -4.058) 4.874 13.263 ( -5.206 0.000 -0.341) 5.218 13.405 ( 2.880 0.000 -1.216) 3.126 13.510 ( -0.571 0.000 4.797) 4.831 13.683 ( -4.526 0.000 -0.493) 4.553 13.717 ( 7.011 0.000 -0.679) 7.044 13.866 ( -0.078 0.000 -1.982) 1.984 13.880 ( 12.580 0.000 0.651) 12.597 14.228 ( 0.323 0.000 -1.604) 1.636 14.410 ( -1.136 0.000 -1.858) 2.178 14.685 ( -0.500 0.000 -2.256) 2.311 14.892 ( -3.409 0.000 -6.280) 7.146 14.906 ( -1.588 0.000 10.231) 10.353 15.162 ( 2.680 0.000 -4.294) 5.062 15.300 ( -0.779 0.000 -5.588) 5.642 15.355 ( 1.698 0.000 0.171) 1.707 15.533 ( 8.285 0.000 -2.486) 8.650 15.567 ( -9.683 0.000 7.813) 12.441 15.851 ( 9.632 0.000 3.285) 10.177 15.931 ( 3.218 0.000 -2.168) 3.880 15.995 ( 7.793 0.000 1.709) 7.978 15.998 ( 7.857 0.000 3.179) 8.475 16.048 ( 7.104 0.000 -3.614) 7.970 16.558 ( 8.166 0.000 -3.501) 8.885 16.850 ( 1.557 0.000 5.015) 5.251 16.939 ( -0.467 0.000 5.381) 5.401 17.213 ( 0.846 0.000 -0.126) 0.855 17.287 ( 3.862 0.000 4.199) 5.705 17.570 ( 2.662 0.000 -7.633) 8.084 17.660 ( 2.731 0.000 -1.453) 3.094 17.749 ( 0.002 0.000 -2.095) 2.095 17.751 ( 5.624 0.000 -8.818) 10.459 17.853 ( 3.819 0.000 2.360) 4.490 17.939 ( 1.853 0.000 -9.328) 9.510 18.024 ( -3.818 0.000 5.097) 6.368 18.159 ( 7.682 0.000 5.187) 9.269 18.272 ( 2.257 0.000 6.495) 6.876 18.303 ( 0.643 0.000 2.764) 2.837 18.432 ( 3.554 0.000 -1.520) 3.865 18.577 ( 2.214 0.000 1.568) 2.713 18.687 ( 5.663 0.000 -5.922) 8.194 18.768 ( 6.186 0.000 -1.030) 6.271 19.144 ( -0.149 0.000 -2.130) 2.135 19.274 ( 2.018 0.000 1.336) 2.420 21.990 ( 0.195 0.000 -0.575) 0.607 22.031 ( 0.448 0.000 0.484) 0.659 22.177 ( 2.363 0.000 1.822) 2.984 22.216 ( 2.195 0.000 -4.361) 4.882 22.597 ( -0.817 0.000 -0.298) 0.870 22.608 ( -0.890 0.000 -2.682) 2.825 22.659 ( 1.778 0.000 0.509) 1.849 22.741 ( 1.975 0.000 3.283) 3.832 27.263 ( -1.117 0.000 -1.553) 1.913 27.278 ( -1.373 0.000 2.418) 2.780 27.319 ( -1.728 0.000 -2.120) 2.735 27.344 ( -1.636 0.000 2.531) 3.014 27.659 ( -0.626 0.000 0.112) 0.636 27.680 ( -0.363 0.000 -2.423) 2.450 27.711 ( -1.008 0.000 1.837) 2.095 27.742 ( -0.397 0.000 0.888) 0.972 35.669 ( -3.125 0.000 1.049) 3.297 35.692 ( -2.978 0.000 3.325) 4.464 36.016 ( -9.460 0.000 5.228) 10.809 36.342 ( 4.963 0.000 -3.116) 5.860 36.536 ( -3.219 0.000 -0.239) 3.228 36.639 ( -0.341 0.000 14.839) 14.843 37.148 ( 5.069 0.000 -7.809) 9.310 37.545 ( 0.744 0.000 2.594) 2.698 37.843 ( -0.838 0.000 1.161) 1.432 38.132 ( -5.814 0.000 -9.969) 11.541 38.665 ( -7.868 0.000 -8.716) 11.742 38.708 ( -7.941 0.000 8.811) 11.861 39.004 ( -5.509 0.000 6.779) 8.736 39.293 ( -3.421 0.000 -7.237) 8.005 39.444 ( -14.867 0.000 14.458) 20.738 41.086 ( 8.647 0.000 -8.177) 11.901 ======================= Grid point 64 (28/84) ======================= q-point: (-0.18 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -31.128 0.000 19.161) 36.553 1.791 ( -36.985 0.000 18.664) 41.428 2.163 ( -6.886 0.000 -5.265) 8.668 2.690 ( 4.425 0.000 0.346) 4.438 2.836 ( -29.523 0.000 12.645) 32.117 2.953 ( -2.451 0.000 4.577) 5.192 3.049 ( -26.284 0.000 16.658) 31.118 3.349 ( -9.917 0.000 -9.313) 13.605 3.450 ( -8.084 0.000 -8.538) 11.758 3.519 ( 4.792 0.000 1.200) 4.940 3.595 ( -4.448 0.000 -3.030) 5.382 3.729 ( -0.893 0.000 -14.638) 14.665 3.887 ( 12.184 0.000 -1.194) 12.242 4.010 ( -2.757 0.000 -4.600) 5.363 4.016 ( -4.974 0.000 2.215) 5.444 4.106 ( -11.010 0.000 -7.034) 13.065 4.395 ( -1.705 0.000 -13.766) 13.871 4.544 ( -4.591 0.000 -3.071) 5.523 4.592 ( 3.814 0.000 10.492) 11.164 4.806 ( -6.554 0.000 4.850) 8.153 4.820 ( 4.057 0.000 -0.194) 4.062 4.944 ( 4.234 0.000 4.083) 5.882 5.001 ( 0.712 0.000 -5.577) 5.622 5.058 ( -2.064 0.000 4.468) 4.922 5.181 ( -3.526 0.000 7.097) 7.925 5.193 ( -5.947 0.000 3.197) 6.752 5.269 ( 4.915 0.000 7.283) 8.786 5.383 ( 1.677 0.000 2.703) 3.181 5.496 ( 1.845 0.000 1.441) 2.341 5.501 ( 5.399 0.000 3.519) 6.445 5.664 ( -15.126 0.000 0.012) 15.126 5.690 ( 0.138 0.000 3.671) 3.673 5.840 ( -5.776 0.000 -3.414) 6.709 5.849 ( 2.863 0.000 4.885) 5.662 6.017 ( 5.238 0.000 -0.014) 5.238 6.047 ( 6.141 0.000 2.995) 6.832 6.057 ( -6.589 0.000 -3.259) 7.351 6.059 ( -6.740 0.000 2.821) 7.307 6.237 ( 5.932 0.000 -5.960) 8.409 6.315 ( -1.755 0.000 -5.159) 5.450 6.500 ( -6.985 0.000 6.522) 9.557 6.503 ( -7.020 0.000 -5.285) 8.788 6.639 ( -9.593 0.000 2.163) 9.834 6.735 ( -8.767 0.000 -1.898) 8.971 6.844 ( -7.902 0.000 5.142) 9.427 6.960 ( 3.442 0.000 0.837) 3.542 7.044 ( 4.160 0.000 -4.173) 5.893 7.104 ( 7.806 0.000 -10.970) 13.464 7.119 ( 1.764 0.000 -2.016) 2.679 7.280 ( -10.128 0.000 7.396) 12.541 7.473 ( -2.557 0.000 0.603) 2.627 7.500 ( 2.887 0.000 -3.811) 4.782 7.505 ( 1.083 0.000 0.379) 1.147 7.684 ( 6.079 0.000 -8.452) 10.411 7.716 ( 7.142 0.000 -5.147) 8.804 7.842 ( 4.656 0.000 -3.927) 6.090 7.880 ( 1.024 0.000 -1.644) 1.936 7.895 ( -4.161 0.000 -0.420) 4.183 8.027 ( -4.988 0.000 -2.081) 5.405 8.124 ( 0.861 0.000 1.823) 2.016 8.303 ( 4.964 0.000 0.868) 5.040 8.435 ( 7.082 0.000 -1.967) 7.350 8.550 ( 3.280 0.000 8.526) 9.136 8.734 ( -6.784 0.000 12.988) 14.652 8.810 ( 1.317 0.000 1.478) 1.980 8.885 ( 3.841 0.000 -7.071) 8.047 8.986 ( 1.010 0.000 0.338) 1.065 9.039 ( -1.996 0.000 4.199) 4.649 9.099 ( -2.364 0.000 -0.507) 2.418 9.242 ( -4.821 0.000 0.135) 4.823 9.394 ( 0.419 0.000 -4.585) 4.604 9.582 ( -2.283 0.000 2.997) 3.768 9.647 ( 2.551 0.000 -2.415) 3.513 9.707 ( 7.618 0.000 -1.125) 7.700 9.882 ( 3.877 0.000 -0.484) 3.907 10.071 ( 3.977 0.000 4.261) 5.829 11.058 ( -9.464 0.000 1.442) 9.573 11.212 ( -2.486 0.000 5.632) 6.157 11.282 ( -5.980 0.000 1.228) 6.105 11.427 ( -2.077 0.000 1.764) 2.725 11.529 ( 3.023 0.000 -2.733) 4.075 11.672 ( 1.847 0.000 2.958) 3.488 11.849 ( -0.291 0.000 -2.633) 2.649 11.865 ( -3.684 0.000 -6.046) 7.080 11.920 ( -2.088 0.000 -1.317) 2.468 12.216 ( -0.043 0.000 -0.428) 0.430 12.224 ( 0.399 0.000 0.002) 0.399 12.281 ( 0.210 0.000 1.190) 1.208 12.734 ( -1.839 0.000 0.216) 1.851 12.761 ( 0.670 0.000 -3.417) 3.483 12.908 ( -2.122 0.000 3.684) 4.251 12.924 ( -0.123 0.000 2.667) 2.669 13.152 ( 2.469 0.000 -4.164) 4.841 13.170 ( -4.995 0.000 2.116) 5.424 13.383 ( -2.469 0.000 -0.907) 2.631 13.443 ( -4.740 0.000 2.227) 5.237 13.669 ( -0.430 0.000 6.049) 6.064 13.880 ( 9.526 0.000 -0.586) 9.544 13.894 ( 4.167 0.000 -1.444) 4.410 14.127 ( 9.986 0.000 -0.440) 9.996 14.258 ( 1.547 0.000 3.805) 4.107 14.374 ( 0.065 0.000 -2.266) 2.267 14.635 ( -3.458 0.000 -2.017) 4.003 14.791 ( -3.174 0.000 -8.144) 8.740 14.917 ( -4.044 0.000 10.926) 11.650 15.099 ( -5.384 0.000 -3.312) 6.321 15.232 ( -1.082 0.000 -8.766) 8.833 15.385 ( -8.511 0.000 3.651) 9.261 15.455 ( 7.790 0.000 -0.165) 7.792 15.731 ( 9.651 0.000 0.854) 9.689 15.935 ( 0.505 0.000 0.367) 0.624 16.019 ( 4.757 0.000 5.532) 7.297 16.101 ( 3.158 0.000 -0.197) 3.164 16.127 ( 4.383 0.000 -10.234) 11.133 16.222 ( 10.670 0.000 3.084) 11.107 16.694 ( 7.075 0.000 -1.479) 7.228 16.901 ( 1.818 0.000 1.956) 2.670 16.982 ( 2.971 0.000 2.969) 4.200 17.250 ( 3.248 0.000 2.291) 3.975 17.355 ( 2.145 0.000 -4.807) 5.264 17.592 ( 3.898 0.000 -4.834) 6.209 17.651 ( -4.331 0.000 -1.569) 4.606 17.732 ( -0.301 0.000 -1.738) 1.764 17.773 ( 2.276 0.000 -7.057) 7.415 17.887 ( -1.120 0.000 -8.158) 8.234 17.972 ( 5.298 0.000 3.559) 6.382 18.005 ( -0.529 0.000 2.750) 2.800 18.290 ( -1.932 0.000 11.001) 11.169 18.363 ( 6.754 0.000 0.471) 6.770 18.389 ( 7.554 0.000 3.369) 8.271 18.495 ( 3.837 0.000 0.013) 3.837 18.673 ( 8.300 0.000 0.841) 8.342 18.774 ( 6.195 0.000 -4.999) 7.960 18.873 ( 5.744 0.000 -0.700) 5.787 19.144 ( 1.578 0.000 -2.343) 2.825 19.295 ( -0.995 0.000 1.639) 1.917 21.993 ( 0.383 0.000 -0.433) 0.578 22.038 ( 0.066 0.000 0.277) 0.285 22.215 ( 0.351 0.000 -5.989) 5.999 22.232 ( 2.346 0.000 1.947) 3.049 22.575 ( -0.845 0.000 -1.726) 1.922 22.592 ( -0.154 0.000 0.606) 0.625 22.690 ( 1.423 0.000 -0.062) 1.424 22.784 ( 0.716 0.000 3.056) 3.139 27.237 ( -0.647 0.000 -1.776) 1.890 27.258 ( -2.076 0.000 1.793) 2.744 27.281 ( -1.183 0.000 -1.538) 1.941 27.320 ( -2.335 0.000 2.393) 3.344 27.641 ( -1.105 0.000 -0.561) 1.239 27.649 ( -1.593 0.000 -1.771) 2.382 27.715 ( 0.346 0.000 1.921) 1.952 27.744 ( -0.225 0.000 2.075) 2.087 35.645 ( 0.941 0.000 -1.342) 1.639 35.659 ( -2.612 0.000 3.378) 4.270 35.871 ( -8.743 0.000 5.701) 10.437 36.364 ( -2.317 0.000 -2.852) 3.674 36.544 ( 4.341 0.000 2.700) 5.112 36.731 ( 2.315 0.000 15.756) 15.925 37.181 ( 1.692 0.000 -3.211) 3.630 37.546 ( -1.449 0.000 3.240) 3.549 37.846 ( 0.796 0.000 -0.687) 1.052 37.951 ( -8.237 0.000 -6.885) 10.735 38.409 ( -12.439 0.000 -13.173) 18.118 38.651 ( -3.431 0.000 9.171) 9.791 38.971 ( -1.446 0.000 14.799) 14.870 39.124 ( -9.743 0.000 -8.605) 12.999 39.400 ( 0.065 0.000 16.458) 16.458 41.130 ( 1.835 0.000 -23.011) 23.084 ======================= Grid point 65 (29/84) ======================= q-point: (-0.09 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -25.044 0.000 32.460) 40.999 1.239 ( -34.810 0.000 31.508) 46.952 1.798 ( -47.930 0.000 28.462) 55.744 2.170 ( -14.665 0.000 12.509) 19.275 2.755 ( 1.346 0.000 -4.080) 4.297 2.913 ( 1.794 0.000 -3.275) 3.734 3.121 ( 9.017 0.000 7.687) 11.849 3.187 ( -2.678 0.000 -10.768) 11.095 3.328 ( -1.417 0.000 -6.601) 6.752 3.543 ( 1.205 0.000 -6.522) 6.633 3.561 ( -5.657 0.000 5.182) 7.672 3.695 ( 2.491 0.000 -8.387) 8.750 3.835 ( -4.617 0.000 -11.881) 12.746 3.936 ( -8.863 0.000 1.124) 8.934 3.945 ( -1.915 0.000 -0.390) 1.954 4.116 ( 12.006 0.000 -5.286) 13.119 4.317 ( -1.287 0.000 -1.628) 2.075 4.477 ( 3.272 0.000 -13.619) 14.006 4.570 ( -8.842 0.000 9.159) 12.730 4.717 ( -2.855 0.000 1.247) 3.116 4.861 ( 1.400 0.000 1.098) 1.779 4.921 ( -9.256 0.000 1.076) 9.319 4.956 ( -1.397 0.000 -7.549) 7.677 5.025 ( 1.743 0.000 -1.173) 2.101 5.242 ( 4.543 0.000 8.427) 9.574 5.275 ( -14.936 0.000 0.835) 14.960 5.293 ( 12.475 0.000 11.239) 16.791 5.436 ( 3.461 0.000 3.037) 4.605 5.481 ( 4.875 0.000 2.622) 5.535 5.561 ( 0.012 0.000 -2.116) 2.116 5.640 ( -7.393 0.000 -0.412) 7.405 5.641 ( 5.475 0.000 -1.531) 5.685 5.801 ( 3.164 0.000 3.018) 4.372 5.848 ( -3.380 0.000 0.934) 3.506 5.952 ( 2.139 0.000 -3.981) 4.519 5.957 ( -5.502 0.000 5.692) 7.917 6.143 ( 1.713 0.000 5.183) 5.458 6.191 ( 5.974 0.000 3.991) 7.184 6.252 ( -4.799 0.000 -8.583) 9.834 6.299 ( 1.802 0.000 -2.609) 3.171 6.357 ( -4.517 0.000 0.181) 4.520 6.405 ( -10.170 0.000 18.161) 20.815 6.530 ( 0.493 0.000 4.413) 4.441 6.626 ( -2.431 0.000 3.327) 4.121 6.765 ( -2.128 0.000 3.044) 3.714 7.044 ( 3.974 0.000 -6.495) 7.614 7.051 ( -6.598 0.000 1.182) 6.703 7.108 ( 5.522 0.000 0.752) 5.573 7.191 ( -1.228 0.000 1.251) 1.753 7.206 ( 7.771 0.000 -7.428) 10.750 7.420 ( -2.851 0.000 -0.013) 2.851 7.493 ( -3.934 0.000 1.638) 4.261 7.522 ( 3.601 0.000 -5.530) 6.599 7.675 ( -3.333 0.000 -6.156) 7.000 7.734 ( -2.670 0.000 -0.756) 2.775 7.827 ( 2.977 0.000 -10.250) 10.674 7.928 ( 3.924 0.000 2.086) 4.444 7.977 ( 7.158 0.000 -5.777) 9.198 7.994 ( 3.271 0.000 -5.902) 6.748 8.162 ( 0.741 0.000 4.540) 4.600 8.364 ( 0.555 0.000 2.076) 2.149 8.505 ( -0.339 0.000 7.085) 7.094 8.617 ( 0.003 0.000 1.042) 1.042 8.705 ( -4.873 0.000 14.165) 14.980 8.828 ( 0.926 0.000 -2.723) 2.876 8.923 ( 3.511 0.000 -5.712) 6.704 8.992 ( -0.419 0.000 -1.230) 1.299 9.058 ( -0.647 0.000 0.407) 0.764 9.071 ( 2.557 0.000 5.662) 6.212 9.146 ( -4.281 0.000 -1.106) 4.422 9.396 ( 1.564 0.000 -1.510) 2.174 9.546 ( -3.186 0.000 1.780) 3.649 9.703 ( 3.791 0.000 -1.455) 4.061 9.823 ( 5.461 0.000 -1.453) 5.651 9.947 ( 2.356 0.000 -4.053) 4.688 10.142 ( 1.457 0.000 1.652) 2.203 10.858 ( -9.932 0.000 0.212) 9.934 11.128 ( -6.691 0.000 -0.980) 6.762 11.275 ( -0.221 0.000 3.894) 3.900 11.437 ( -0.180 0.000 2.935) 2.941 11.569 ( -0.523 0.000 0.256) 0.582 11.659 ( -1.422 0.000 -1.386) 1.986 11.723 ( 1.434 0.000 -2.825) 3.168 11.930 ( 4.114 0.000 1.363) 4.334 11.940 ( 2.879 0.000 0.723) 2.969 12.203 ( -1.926 0.000 -1.128) 2.232 12.215 ( -0.658 0.000 -1.778) 1.896 12.270 ( -0.610 0.000 -1.421) 1.546 12.712 ( -0.478 0.000 -0.600) 0.767 12.757 ( 1.041 0.000 -3.780) 3.921 12.830 ( -6.463 0.000 0.412) 6.476 12.929 ( -0.786 0.000 -0.402) 0.883 13.114 ( -3.902 0.000 6.468) 7.553 13.194 ( 3.537 0.000 -0.289) 3.549 13.358 ( 1.092 0.000 1.118) 1.563 13.476 ( 6.658 0.000 3.952) 7.743 13.696 ( 1.237 0.000 7.492) 7.593 14.013 ( 7.874 0.000 2.072) 8.142 14.040 ( 7.818 0.000 -0.851) 7.864 14.158 ( -2.774 0.000 -1.735) 3.272 14.320 ( 2.460 0.000 10.370) 10.657 14.425 ( 3.741 0.000 -3.297) 4.986 14.545 ( -4.936 0.000 -0.556) 4.967 14.687 ( -3.858 0.000 -10.122) 10.833 14.842 ( -8.532 0.000 6.450) 10.695 14.973 ( -6.395 0.000 -3.321) 7.206 15.166 ( -3.330 0.000 -2.116) 3.945 15.372 ( 6.109 0.000 1.911) 6.401 15.617 ( 10.000 0.000 -0.963) 10.046 15.880 ( 4.808 0.000 0.465) 4.831 15.900 ( -15.422 0.000 -20.894) 25.969 15.962 ( 3.204 0.000 -2.159) 3.863 16.135 ( -0.264 0.000 2.852) 2.865 16.166 ( 1.687 0.000 0.878) 1.902 16.396 ( 5.713 0.000 5.631) 8.022 16.781 ( 3.716 0.000 -0.938) 3.832 16.937 ( 1.266 0.000 1.555) 2.005 17.078 ( 6.135 0.000 0.764) 6.182 17.304 ( -2.406 0.000 -11.495) 11.744 17.356 ( 5.497 0.000 1.484) 5.694 17.495 ( -10.016 0.000 -0.419) 10.024 17.654 ( 4.159 0.000 -2.594) 4.902 17.700 ( -2.174 0.000 -0.908) 2.356 17.769 ( 0.586 0.000 -5.991) 6.019 17.843 ( 0.570 0.000 -7.252) 7.275 18.004 ( -0.865 0.000 -1.623) 1.839 18.068 ( 1.968 0.000 6.794) 7.073 18.263 ( -6.036 0.000 12.577) 13.951 18.457 ( 3.391 0.000 -1.390) 3.665 18.551 ( 6.062 0.000 -0.862) 6.123 18.617 ( 9.561 0.000 2.807) 9.964 18.835 ( 3.987 0.000 -1.999) 4.460 18.869 ( 8.737 0.000 0.127) 8.738 18.967 ( 3.838 0.000 -2.879) 4.798 19.173 ( 2.453 0.000 -2.701) 3.648 19.245 ( -5.299 0.000 2.711) 5.952 21.999 ( 0.435 0.000 -0.193) 0.476 22.036 ( -0.260 0.000 -0.040) 0.263 22.206 ( 3.802 0.000 2.330) 4.459 22.277 ( 1.122 0.000 1.859) 2.171 22.565 ( 0.538 0.000 0.545) 0.766 22.598 ( 0.098 0.000 1.283) 1.286 22.708 ( 0.666 0.000 -0.723) 0.983 22.795 ( -1.014 0.000 1.998) 2.240 27.224 ( -2.163 0.000 0.998) 2.382 27.225 ( 0.460 0.000 -1.486) 1.556 27.260 ( -0.432 0.000 -0.715) 0.835 27.284 ( -2.426 0.000 1.140) 2.680 27.610 ( -1.463 0.000 -1.473) 2.076 27.615 ( -1.175 0.000 -1.092) 1.604 27.742 ( 1.138 0.000 2.579) 2.819 27.755 ( -0.007 0.000 2.913) 2.913 35.621 ( -3.310 0.000 1.842) 3.788 35.697 ( 5.877 0.000 -3.132) 6.660 35.778 ( -4.271 0.000 7.608) 8.725 36.262 ( -6.684 0.000 -1.176) 6.786 36.661 ( 4.064 0.000 5.435) 6.787 36.921 ( 11.084 0.000 10.560) 15.309 37.194 ( 0.820 0.000 2.940) 3.052 37.570 ( 3.962 0.000 1.956) 4.418 37.774 ( -7.997 0.000 -3.611) 8.775 37.856 ( 1.146 0.000 -1.518) 1.902 38.140 ( -7.634 0.000 -9.649) 12.304 38.616 ( -3.956 0.000 0.531) 3.991 38.908 ( -7.501 0.000 -9.604) 12.186 39.266 ( 23.406 0.000 24.366) 33.787 39.511 ( 2.012 0.000 12.650) 12.809 40.605 ( -50.682 0.000 -65.351) 82.701 ======================= Grid point 66 (30/84) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -6.251 20.355 25.909) 33.536 1.175 ( 2.410 30.375 22.241) 37.725 1.909 ( -6.271 8.929 21.251) 23.888 2.249 ( -4.104 19.267 26.441) 32.972 2.611 ( 5.817 -18.163 -1.904) 19.167 2.828 ( 0.148 -10.966 -1.094) 11.022 2.938 ( 0.734 -19.811 -7.120) 21.064 3.004 ( -4.882 -3.990 -0.058) 6.305 3.154 ( 7.305 -0.135 -10.876) 13.103 3.382 ( -2.332 -0.682 -2.540) 3.515 3.547 ( 7.347 0.333 -19.841) 21.160 3.644 ( 0.111 0.761 -7.682) 7.721 3.785 ( 4.186 -7.797 -8.094) 11.993 4.050 ( 1.456 3.235 0.261) 3.557 4.063 ( -9.455 13.872 8.401) 18.772 4.209 ( 1.682 -3.057 -4.020) 5.323 4.303 ( 0.463 -6.171 2.021) 6.510 4.512 ( -5.866 7.693 5.199) 10.983 4.543 ( -0.908 -0.787 0.860) 1.477 4.672 ( 1.160 0.835 0.393) 1.482 4.779 ( 2.554 -2.443 2.916) 4.582 4.816 ( 0.304 -0.470 2.628) 2.687 4.877 ( -8.554 -8.553 5.536) 13.303 4.978 ( -9.597 -0.692 -3.510) 10.242 5.038 ( -0.116 1.571 4.925) 5.171 5.251 ( -1.361 4.348 -1.096) 4.685 5.308 ( -1.747 -15.924 -3.721) 16.446 5.359 ( -7.952 -3.082 -1.629) 8.683 5.452 ( 6.738 -1.996 4.489) 8.339 5.528 ( -1.346 -2.152 -1.799) 3.112 5.612 ( 2.250 0.946 -0.243) 2.452 5.693 ( -1.376 -4.342 -2.685) 5.288 5.759 ( 1.206 -5.098 5.671) 7.720 5.804 ( 3.619 -1.814 2.106) 4.563 5.927 ( -1.254 -6.676 6.465) 9.378 6.038 ( 0.785 4.606 4.915) 6.782 6.080 ( -0.810 -1.606 0.972) 2.044 6.153 ( 0.545 9.653 2.915) 10.098 6.278 ( 0.624 -2.138 2.314) 3.212 6.335 ( 9.859 -1.954 4.559) 11.037 6.447 ( -1.366 8.288 7.910) 11.538 6.454 ( -6.599 8.991 1.575) 11.264 6.649 ( 2.363 1.360 6.757) 7.286 6.717 ( 5.578 -3.923 -2.458) 7.248 6.795 ( 6.468 5.626 0.679) 8.599 6.973 ( 3.541 -7.487 -1.097) 8.354 7.012 ( 0.718 1.155 1.928) 2.359 7.132 ( 0.521 0.702 -3.361) 3.473 7.253 ( 0.469 -2.852 -12.449) 12.781 7.357 ( 5.902 -3.813 -2.822) 7.572 7.388 ( 2.280 3.356 -4.081) 5.755 7.460 ( -5.889 7.764 -1.870) 9.923 7.562 ( -4.188 2.926 -2.235) 5.577 7.620 ( 0.819 -2.514 -3.585) 4.454 7.727 ( -0.243 -0.702 -0.641) 0.981 7.782 ( -0.919 -4.504 -3.703) 5.902 7.855 ( 4.118 -3.772 -2.660) 6.185 7.997 ( 3.037 -3.402 -1.652) 4.850 8.175 ( -0.071 2.492 0.696) 2.589 8.221 ( -0.164 6.256 -0.863) 6.318 8.323 ( -1.843 0.326 5.432) 5.745 8.500 ( -1.155 -7.050 -1.612) 7.323 8.567 ( -2.854 0.703 3.986) 4.952 8.669 ( -7.009 1.928 7.606) 10.522 8.825 ( 1.580 -2.496 -0.326) 2.972 8.888 ( -0.393 -3.983 1.710) 4.353 8.919 ( 1.688 -2.263 1.389) 3.146 8.996 ( 2.696 1.329 -0.910) 3.141 9.186 ( -0.717 4.280 -0.088) 4.341 9.257 ( -3.728 3.351 0.629) 5.052 9.468 ( 0.658 2.186 0.143) 2.287 9.500 ( 0.389 1.877 0.373) 1.953 9.789 ( 0.572 2.433 -2.082) 3.253 9.852 ( -0.653 1.545 -2.651) 3.137 9.915 ( 2.214 -0.974 1.738) 2.978 10.076 ( -3.939 -4.409 -1.315) 6.057 10.775 ( -0.167 0.761 0.288) 0.831 10.813 ( -6.424 -2.159 0.682) 6.811 11.279 ( 0.291 1.045 3.464) 3.630 11.372 ( -1.731 -2.822 1.567) 3.663 11.660 ( 2.941 -0.098 2.059) 3.591 11.691 ( 2.028 -0.178 0.341) 2.064 11.820 ( 5.468 -0.368 3.775) 6.655 11.886 ( 1.827 -4.201 2.076) 5.030 12.050 ( -1.389 3.322 1.148) 3.779 12.145 ( -3.444 -0.310 -2.119) 4.056 12.201 ( 0.837 0.589 -3.454) 3.602 12.257 ( 0.229 -0.569 -2.879) 2.944 12.707 ( 0.305 0.938 -0.904) 1.338 12.734 ( -2.159 0.913 -1.467) 2.765 12.808 ( 1.383 4.524 -3.457) 5.859 12.968 ( -0.599 2.055 -1.808) 2.802 13.078 ( -2.231 -1.066 1.394) 2.838 13.203 ( 2.960 -5.625 2.664) 6.892 13.406 ( 2.016 -1.634 3.399) 4.276 13.526 ( 2.333 -4.646 1.913) 5.540 13.864 ( 1.448 1.711 0.294) 2.260 14.002 ( -8.210 -3.886 3.836) 9.860 14.111 ( -1.058 1.393 -0.381) 1.790 14.156 ( 0.210 0.602 0.744) 0.980 14.239 ( -4.678 2.242 -1.047) 5.292 14.357 ( -3.151 -2.860 -4.248) 6.013 14.572 ( -3.120 0.868 -3.060) 4.456 14.594 ( -1.790 -2.165 -3.599) 4.565 14.847 ( 7.059 7.025 -1.764) 10.114 14.942 ( -1.202 4.034 -2.050) 4.682 15.150 ( -2.138 5.225 -1.052) 5.742 15.530 ( -4.844 -5.496 -1.348) 7.449 15.601 ( 4.442 5.910 3.982) 8.398 15.854 ( 7.358 0.471 -9.034) 11.661 15.916 ( 0.811 0.872 -1.647) 2.033 15.975 ( 3.657 -1.251 -1.950) 4.329 16.093 ( -2.471 -0.156 -3.085) 3.956 16.236 ( 5.865 0.466 -8.176) 10.073 16.539 ( 0.513 3.936 5.288) 6.612 16.803 ( 2.743 -8.630 5.312) 10.498 16.958 ( 2.499 0.768 0.019) 2.614 17.004 ( -2.349 -3.681 -1.307) 4.558 17.210 ( -5.485 2.041 -1.322) 6.000 17.345 ( -7.364 -2.659 -5.286) 9.447 17.460 ( 7.299 4.351 0.263) 8.502 17.643 ( 1.869 -2.390 -3.819) 4.877 17.719 ( 1.799 0.066 1.474) 2.327 17.793 ( -0.325 -1.505 -4.083) 4.364 17.858 ( 5.129 4.641 -4.928) 8.493 17.952 ( -0.598 -0.642 -2.796) 2.930 18.111 ( -2.040 2.722 8.099) 8.784 18.230 ( -4.393 -1.086 11.628) 12.478 18.531 ( 0.379 3.793 0.478) 3.842 18.644 ( 2.910 -0.634 0.824) 3.090 18.705 ( -0.305 0.495 1.799) 1.891 18.853 ( 0.879 -1.267 -4.431) 4.692 18.892 ( 0.400 0.399 -0.451) 0.723 19.000 ( 0.718 -1.375 2.989) 3.368 19.158 ( -6.855 0.916 2.558) 7.374 19.187 ( -2.009 -0.254 -1.937) 2.802 22.047 ( -0.635 1.947 -0.703) 2.165 22.077 ( -0.778 3.398 -3.247) 4.764 22.271 ( -0.822 -0.565 0.976) 1.395 22.394 ( 7.150 -5.178 -1.219) 8.912 22.609 ( -0.260 0.768 2.174) 2.320 22.638 ( 4.327 -1.342 3.962) 6.019 22.726 ( 1.264 0.848 -0.472) 1.594 22.776 ( 0.032 -0.599 -0.924) 1.102 27.202 ( -0.972 0.497 0.612) 1.251 27.234 ( -0.934 -0.762 0.343) 1.253 27.254 ( 1.186 0.593 -0.552) 1.436 27.262 ( 0.624 0.233 -0.219) 0.701 27.588 ( -0.266 0.016 -0.990) 1.025 27.591 ( -0.333 -0.035 -1.142) 1.190 27.776 ( 1.103 0.375 3.160) 3.368 27.782 ( 0.489 0.332 3.010) 3.067 35.579 ( -1.181 1.092 0.168) 1.617 35.693 ( 1.886 -4.920 3.265) 6.199 35.900 ( 4.858 3.787 2.134) 6.519 36.075 ( -5.356 -4.279 1.570) 7.033 36.574 ( -9.007 -0.233 14.852) 17.371 36.980 ( -3.000 -11.838 -0.094) 12.213 37.421 ( 8.470 2.840 0.711) 8.962 37.558 ( -13.280 -3.819 2.491) 14.041 37.700 ( -11.806 0.024 2.224) 12.014 37.816 ( -16.803 -3.814 2.807) 17.457 37.918 ( 5.276 2.325 -0.371) 5.778 38.080 ( 10.338 -3.688 -2.763) 11.319 38.669 ( -9.909 13.587 -5.632) 17.734 39.100 ( -22.526 2.915 -19.136) 29.700 39.732 ( -5.280 13.653 -1.917) 14.763 40.112 ( 27.089 -5.192 -4.927) 28.018 ======================= Grid point 67 (31/84) ======================= q-point: ( 0.09 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 14.755 12.715 23.073) 30.195 1.579 ( 20.152 27.009 20.073) 39.224 2.094 ( 16.524 -3.402 13.755) 21.767 2.444 ( 9.069 5.646 14.295) 17.846 2.645 ( -5.253 -15.892 5.061) 17.486 2.827 ( 6.053 -0.963 -4.177) 7.417 2.955 ( 1.053 -0.520 -2.777) 3.016 3.043 ( 11.601 -5.360 5.639) 13.968 3.237 ( 6.895 -0.425 -8.794) 11.183 3.368 ( 3.980 -3.508 -5.125) 7.376 3.563 ( 3.701 6.293 -13.905) 15.705 3.672 ( 6.123 0.767 -10.235) 11.951 3.863 ( 5.142 -2.593 -5.100) 7.693 4.000 ( 2.786 2.524 2.354) 4.436 4.139 ( 6.987 6.221 -0.116) 9.355 4.207 ( 2.160 3.416 -6.882) 7.981 4.332 ( -7.086 -0.322 -0.793) 7.138 4.371 ( 4.693 -12.347 4.252) 13.876 4.589 ( 3.023 5.589 -0.476) 6.372 4.687 ( -4.425 2.284 7.606) 9.091 4.799 ( 2.042 -2.755 1.278) 3.660 4.845 ( -0.287 2.433 -8.929) 9.259 4.863 ( 1.716 -3.213 4.115) 5.496 4.948 ( 5.631 -12.265 10.792) 17.280 5.067 ( -2.453 -1.879 -0.201) 3.096 5.162 ( -6.186 -5.411 -1.417) 8.340 5.242 ( -2.816 -5.525 1.689) 6.427 5.319 ( 8.138 -7.934 1.404) 11.452 5.486 ( -2.149 4.633 2.322) 5.610 5.558 ( 0.099 -1.577 4.317) 4.597 5.629 ( -1.953 0.696 -4.017) 4.521 5.703 ( 3.302 0.689 -1.030) 3.527 5.747 ( -0.466 -4.040 -0.033) 4.067 5.800 ( -1.313 -0.616 1.527) 2.107 5.935 ( -1.555 -2.916 8.299) 8.932 6.005 ( -5.494 -0.180 1.396) 5.671 6.065 ( 0.428 4.219 3.430) 5.454 6.233 ( 0.339 5.515 6.510) 8.539 6.262 ( -4.087 2.480 2.365) 5.334 6.352 ( -2.310 2.308 0.143) 3.269 6.481 ( -0.079 5.458 3.356) 6.408 6.528 ( 8.229 6.138 -0.516) 10.279 6.687 ( -1.694 -1.977 -0.521) 2.655 6.821 ( 5.957 -3.865 5.350) 8.891 6.939 ( 2.957 7.232 -3.143) 8.421 6.996 ( 3.518 0.622 3.703) 5.145 7.050 ( 1.415 3.515 5.247) 6.472 7.118 ( -1.206 -2.400 -15.805) 16.031 7.213 ( 2.889 1.308 -10.381) 10.854 7.278 ( -7.526 7.361 0.645) 10.546 7.410 ( 6.032 -6.538 -0.262) 8.899 7.444 ( -5.529 4.813 1.889) 7.569 7.537 ( 6.047 -3.767 -4.376) 8.361 7.609 ( 0.137 -3.215 -0.972) 3.361 7.749 ( 3.591 -10.086 -5.358) 11.972 7.780 ( 2.418 -5.774 -5.641) 8.426 7.882 ( -0.160 -1.788 -3.199) 3.668 8.037 ( 0.395 -6.980 2.387) 7.387 8.129 ( -4.584 0.867 2.964) 5.527 8.221 ( 0.379 4.609 -2.648) 5.329 8.323 ( -1.213 1.252 3.058) 3.520 8.454 ( -3.045 -8.269 -2.674) 9.208 8.527 ( -4.025 7.402 5.391) 10.003 8.577 ( -4.982 0.852 3.653) 6.237 8.797 ( -3.962 -4.561 1.272) 6.174 8.901 ( 1.130 4.505 3.060) 5.562 8.955 ( 0.759 -5.375 1.326) 5.587 9.049 ( 2.154 1.263 0.169) 2.502 9.144 ( -2.296 5.295 -0.300) 5.779 9.194 ( -1.546 3.850 -0.832) 4.232 9.441 ( -1.921 1.608 -1.056) 2.719 9.547 ( 2.178 1.133 2.294) 3.360 9.770 ( -0.861 3.889 -2.581) 4.746 9.812 ( -2.485 1.748 0.286) 3.052 9.945 ( -4.698 -3.080 -1.069) 5.719 9.967 ( -2.268 -2.358 0.706) 3.347 10.856 ( 9.756 0.653 -0.366) 9.785 10.875 ( 9.363 0.109 0.859) 9.403 11.335 ( 2.959 -0.285 4.646) 5.516 11.363 ( 0.756 -0.790 1.543) 1.891 11.647 ( -4.855 0.232 -1.336) 5.041 11.696 ( -2.444 -3.509 1.607) 4.568 11.890 ( 1.037 -0.438 0.565) 1.259 11.928 ( -0.464 -1.239 0.262) 1.349 12.033 ( -1.155 0.544 3.191) 3.437 12.097 ( 0.403 -1.625 -2.187) 2.754 12.217 ( 2.641 0.082 -2.547) 3.670 12.252 ( 1.469 0.068 -2.709) 3.082 12.707 ( 0.377 -0.487 -1.228) 1.374 12.713 ( -0.037 0.056 -0.429) 0.434 12.802 ( 0.657 5.912 -2.707) 6.536 13.003 ( 4.504 3.805 -0.063) 5.897 13.039 ( -1.596 -0.638 -1.977) 2.620 13.288 ( 3.508 -4.859 3.001) 6.703 13.381 ( -6.557 0.620 1.394) 6.732 13.551 ( -0.943 -1.234 5.382) 5.601 13.758 ( -7.390 5.778 4.590) 10.444 13.914 ( -2.232 -5.629 -1.552) 6.251 14.029 ( -6.899 0.687 -1.428) 7.079 14.077 ( -6.960 0.531 -1.887) 7.231 14.198 ( 0.110 3.740 -3.295) 4.985 14.356 ( 5.934 -2.343 1.988) 6.682 14.548 ( 1.342 0.316 -0.848) 1.619 14.621 ( 3.356 -4.343 -1.624) 5.724 14.966 ( 2.720 7.804 0.278) 8.270 15.008 ( 10.487 3.104 -0.703) 10.959 15.112 ( 0.750 3.499 -4.194) 5.513 15.456 ( -3.849 -7.518 -1.075) 8.514 15.700 ( 3.676 -0.891 4.786) 6.100 15.863 ( -1.058 -2.842 -2.364) 3.845 15.881 ( -4.727 0.819 -2.044) 5.214 15.974 ( -5.420 -2.818 -2.440) 6.578 16.065 ( 3.264 6.868 0.003) 7.604 16.328 ( 7.218 -0.486 -12.624) 14.551 16.514 ( -7.141 2.229 7.159) 10.354 16.789 ( -4.848 -11.578 5.799) 13.827 16.927 ( -3.549 2.004 -7.531) 8.564 17.015 ( -4.472 -1.509 -0.888) 4.802 17.051 ( -6.658 2.695 -0.753) 7.222 17.241 ( -0.224 -2.875 0.341) 2.904 17.623 ( 5.829 3.811 -4.588) 8.340 17.656 ( 3.452 -0.858 -4.646) 5.852 17.742 ( 1.797 -0.420 0.088) 1.848 17.762 ( -0.146 -0.561 -3.602) 3.648 17.919 ( 1.415 1.496 -2.568) 3.292 17.965 ( 3.108 2.960 -1.340) 4.497 18.138 ( 1.165 1.762 5.874) 6.243 18.227 ( -1.823 -0.922 8.494) 8.736 18.475 ( -5.632 2.496 2.199) 6.541 18.584 ( -12.497 -1.325 4.605) 13.384 18.667 ( -2.331 2.301 0.669) 3.343 18.789 ( -5.954 2.965 -2.404) 7.073 18.884 ( -2.381 -1.152 -0.093) 2.646 18.990 ( -1.636 -2.404 0.987) 3.071 19.071 ( -1.511 1.299 1.345) 2.404 19.135 ( -2.337 -1.342 -3.178) 4.167 22.032 ( -0.505 1.755 -0.468) 1.886 22.061 ( -0.124 2.536 -1.182) 2.801 22.236 ( -3.079 -0.090 0.435) 3.111 22.412 ( -2.097 -5.826 -2.518) 6.685 22.616 ( -0.032 1.236 2.107) 2.442 22.672 ( -0.703 -0.831 -0.142) 1.098 22.728 ( -1.238 0.439 -0.504) 1.406 22.812 ( 1.235 -3.840 1.786) 4.411 27.187 ( -0.619 0.495 -0.442) 0.908 27.216 ( -0.540 -0.587 0.026) 0.798 27.286 ( 1.651 1.070 0.144) 1.973 27.296 ( 2.760 0.200 0.511) 2.814 27.585 ( 0.544 0.350 -1.160) 1.328 27.595 ( 0.970 -0.086 -0.720) 1.211 27.800 ( -0.054 0.648 2.622) 2.702 27.812 ( 0.759 0.270 2.986) 3.093 35.592 ( 2.589 1.813 -0.706) 3.239 35.758 ( 2.581 -6.170 4.965) 8.330 35.961 ( -4.771 1.283 6.278) 7.989 36.033 ( 4.240 -1.540 -0.345) 4.524 36.425 ( -12.562 5.919 12.444) 18.647 36.713 ( -14.385 -0.289 0.529) 14.398 37.332 ( -2.035 7.948 3.710) 9.005 37.523 ( -3.055 5.573 -3.257) 7.141 37.657 ( 14.406 -4.644 -4.482) 15.786 37.784 ( 1.697 -7.757 0.910) 7.992 38.126 ( 12.893 4.996 -0.095) 13.827 38.351 ( 12.127 -4.829 -0.400) 13.059 38.638 ( 10.747 5.054 6.928) 13.749 38.812 ( -4.207 2.845 -10.642) 11.792 39.712 ( 0.076 16.091 0.476) 16.098 40.466 ( 16.239 -14.986 -17.325) 28.079 ======================= Grid point 68 (32/84) ======================= q-point: ( 0.18 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 21.800 7.731 12.549) 26.315 2.022 ( 16.930 14.098 22.760) 31.677 2.472 ( 7.038 -19.548 2.935) 20.983 2.584 ( 12.436 3.923 -1.656) 13.145 2.627 ( 0.830 -9.382 9.408) 13.312 2.902 ( -0.815 -3.909 -2.016) 4.473 3.005 ( 5.134 2.060 -3.570) 6.584 3.339 ( 9.891 0.595 -4.543) 10.900 3.449 ( 10.753 5.315 -2.773) 12.311 3.517 ( 27.039 -0.518 7.247) 27.998 3.582 ( 6.006 11.006 -5.031) 13.510 3.766 ( 10.327 3.071 -7.955) 13.393 3.903 ( 2.157 -0.603 -2.344) 3.242 4.066 ( 2.581 0.574 -5.043) 5.694 4.174 ( 0.918 2.341 -2.478) 3.531 4.262 ( 4.898 3.197 -4.269) 7.241 4.360 ( 6.217 -0.324 -1.225) 6.345 4.467 ( -6.719 -8.806 -2.399) 11.333 4.594 ( 2.938 1.524 -0.597) 3.363 4.611 ( -2.250 4.179 2.302) 5.275 4.827 ( 1.071 1.594 0.423) 1.966 4.861 ( 4.060 -3.746 -2.881) 6.230 4.923 ( 5.957 -1.859 1.482) 6.414 4.993 ( -1.388 -3.817 7.173) 8.243 5.104 ( 1.400 -3.150 -2.825) 4.457 5.170 ( 4.172 -8.608 7.801) 12.344 5.287 ( 5.533 -3.551 8.069) 10.408 5.440 ( -4.484 4.480 6.136) 8.822 5.493 ( 0.175 7.097 -2.499) 7.526 5.515 ( -1.761 -9.945 7.428) 12.538 5.581 ( 1.552 1.938 -1.430) 2.865 5.723 ( -0.039 -6.241 1.979) 6.548 5.803 ( 0.983 -5.355 -0.360) 5.457 5.846 ( 6.913 1.954 3.265) 7.891 5.904 ( -4.146 -0.563 1.454) 4.430 6.009 ( 6.653 -3.440 1.619) 7.663 6.104 ( 3.735 6.637 -0.990) 7.680 6.182 ( -4.425 0.834 3.876) 5.942 6.237 ( -5.709 2.895 5.211) 8.254 6.320 ( 1.463 0.374 -5.308) 5.519 6.467 ( -1.266 -1.095 0.730) 1.826 6.568 ( -9.026 -4.488 -0.020) 10.081 6.641 ( 4.186 7.115 -1.466) 8.384 6.928 ( 1.916 1.149 0.548) 2.300 6.966 ( 2.566 5.493 -9.069) 10.909 7.021 ( 1.169 2.763 -2.300) 3.780 7.064 ( 0.921 5.290 -2.359) 5.865 7.135 ( 0.354 0.431 2.956) 3.008 7.168 ( -0.245 4.507 -3.229) 5.549 7.181 ( -1.796 5.551 -4.002) 7.075 7.378 ( -0.542 3.966 3.079) 5.050 7.560 ( 7.259 -3.756 -4.154) 9.168 7.603 ( 2.481 -5.779 -6.814) 9.273 7.616 ( 3.463 -1.685 3.383) 5.127 7.758 ( -1.309 -5.701 -6.446) 8.704 7.795 ( -0.112 -3.887 -4.726) 6.120 7.844 ( 0.720 -10.144 -0.038) 10.169 8.020 ( -4.189 -6.788 1.640) 8.144 8.086 ( -1.815 -4.067 8.078) 9.224 8.176 ( -4.146 1.734 -0.199) 4.498 8.269 ( -5.276 4.092 -0.147) 6.678 8.383 ( -3.956 -4.509 -1.668) 6.226 8.502 ( 0.010 10.063 3.053) 10.516 8.565 ( 3.427 0.567 0.893) 3.586 8.735 ( -2.783 -2.501 2.222) 4.352 8.952 ( 1.858 0.199 2.276) 2.945 8.960 ( -0.480 3.454 1.017) 3.632 9.062 ( -0.055 -2.742 1.990) 3.388 9.152 ( 1.708 4.850 -1.913) 5.486 9.176 ( 0.973 0.969 -2.263) 2.647 9.386 ( -3.223 2.048 -1.677) 4.171 9.604 ( 2.083 -1.524 3.411) 4.277 9.712 ( -4.360 1.352 -1.399) 4.775 9.769 ( -2.191 2.214 0.194) 3.121 9.822 ( -4.087 -1.113 -3.758) 5.663 9.957 ( -2.263 -1.504 4.591) 5.335 11.071 ( 9.152 0.697 1.849) 9.363 11.092 ( 13.582 -0.076 -0.302) 13.585 11.400 ( 3.837 -0.457 1.111) 4.021 11.442 ( 3.143 -1.630 6.274) 7.204 11.539 ( -3.459 1.554 -0.974) 3.915 11.634 ( -3.192 -2.173 0.436) 3.886 11.838 ( -5.168 0.616 -5.147) 7.320 11.889 ( -0.998 -3.071 -2.461) 4.060 12.040 ( -0.213 0.126 4.404) 4.411 12.131 ( 2.086 -3.901 -0.486) 4.450 12.233 ( 1.099 4.972 -1.920) 5.443 12.314 ( 4.785 0.183 -0.377) 4.803 12.698 ( -0.456 0.081 -0.701) 0.841 12.734 ( 1.904 -2.663 1.491) 3.597 12.821 ( 2.325 5.311 -1.817) 6.076 12.993 ( -1.985 0.552 -3.254) 3.852 13.105 ( 4.490 3.837 0.789) 5.958 13.236 ( -3.077 7.930 -0.051) 8.507 13.406 ( 3.850 -6.077 2.111) 7.497 13.554 ( -1.562 -1.679 3.085) 3.843 13.702 ( -2.849 2.343 4.002) 5.443 13.823 ( -5.294 -4.429 -4.966) 8.504 13.875 ( -8.053 -0.447 -1.323) 8.173 13.924 ( -6.608 -0.119 -0.770) 6.653 14.239 ( 3.833 1.853 -0.027) 4.257 14.488 ( 3.590 -7.296 5.047) 9.570 14.580 ( 2.645 1.228 -2.715) 3.984 14.665 ( 3.067 -2.125 -1.524) 4.031 14.951 ( -2.900 9.112 -2.201) 9.812 15.153 ( 5.713 1.564 -2.613) 6.474 15.230 ( 9.076 2.102 -1.115) 9.383 15.368 ( -3.118 -5.358 0.728) 6.241 15.714 ( -6.232 -3.637 0.687) 7.248 15.772 ( -6.230 0.223 -2.637) 6.769 15.826 ( -3.159 -2.677 -0.287) 4.150 15.893 ( 2.250 -3.384 -1.232) 4.246 16.117 ( -0.470 7.782 4.050) 8.785 16.329 ( -3.166 5.951 -5.981) 9.011 16.346 ( -11.714 -2.204 8.259) 14.501 16.710 ( -8.400 -8.719 7.774) 14.388 16.811 ( -5.416 -0.294 -1.953) 5.765 16.841 ( -2.890 -1.722 -8.774) 9.397 17.041 ( -0.441 3.565 2.090) 4.156 17.243 ( -0.040 -1.198 -0.072) 1.200 17.633 ( 0.748 1.317 -5.827) 6.020 17.665 ( 0.076 1.496 -3.475) 3.784 17.743 ( 0.370 0.633 -2.352) 2.464 17.808 ( 3.177 -1.150 -5.349) 6.327 17.913 ( -1.829 2.600 -2.610) 4.114 17.962 ( -3.417 1.980 0.713) 4.013 18.185 ( -0.432 -1.825 2.671) 3.263 18.229 ( -1.740 -0.366 4.352) 4.701 18.323 ( -14.478 -2.280 3.901) 15.167 18.398 ( -5.333 -3.037 4.302) 7.495 18.577 ( -5.902 6.082 0.937) 8.527 18.673 ( -4.695 3.083 0.784) 5.671 18.826 ( -3.511 0.277 -0.221) 3.529 18.953 ( -4.336 -4.418 -0.229) 6.195 19.062 ( 1.201 1.234 -4.025) 4.378 19.108 ( 1.041 -0.789 -0.555) 1.420 22.023 ( -0.309 1.500 -0.231) 1.549 22.054 ( -0.202 2.158 -0.512) 2.228 22.174 ( -3.385 0.009 -0.184) 3.390 22.337 ( -4.126 -5.007 -1.591) 6.681 22.627 ( 0.128 0.641 1.049) 1.236 22.647 ( -1.171 0.234 -1.517) 1.931 22.696 ( -1.766 1.533 -0.369) 2.367 22.811 ( -2.243 -3.112 3.366) 5.104 27.180 ( 0.263 0.339 -0.806) 0.913 27.216 ( 0.470 -1.173 -0.181) 1.276 27.320 ( 1.852 1.750 0.558) 2.609 27.353 ( 2.752 -0.066 1.058) 2.949 27.595 ( 1.136 0.873 -1.137) 1.829 27.614 ( 1.352 -0.021 -0.535) 1.454 27.808 ( -0.474 0.471 1.973) 2.083 27.829 ( -0.464 -0.046 2.354) 2.400 35.657 ( 4.184 1.873 0.414) 4.603 35.836 ( 2.577 -5.513 4.949) 7.844 35.897 ( -3.623 2.579 5.288) 6.910 36.093 ( -0.488 -5.841 5.311) 7.910 36.376 ( 4.112 8.454 -0.058) 9.401 36.561 ( -4.341 2.574 -0.293) 5.055 37.359 ( 1.115 5.419 1.894) 5.847 37.481 ( -0.647 6.760 -2.668) 7.296 37.798 ( 2.459 -3.811 -0.880) 4.620 37.931 ( 13.485 -15.072 -2.297) 20.354 38.324 ( 10.242 0.471 -7.029) 12.431 38.482 ( 4.760 -4.029 -3.654) 7.228 38.762 ( 3.390 7.564 5.088) 9.726 39.067 ( 20.843 -3.211 15.802) 26.353 39.728 ( 2.815 19.507 -2.966) 19.931 40.571 ( 7.083 -14.582 -19.025) 24.995 ======================= Grid point 69 (33/84) ======================= q-point: ( 0.27 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 16.593 5.224 4.426) 17.951 2.406 ( 8.398 4.002 9.490) 13.289 2.525 ( 8.393 -7.376 7.107) 13.242 2.759 ( 8.403 -6.585 6.055) 12.273 2.827 ( 4.993 -3.135 -0.604) 5.926 2.866 ( 0.327 -2.715 4.253) 5.056 3.080 ( 8.248 6.194 1.845) 10.479 3.536 ( 11.496 0.858 -3.327) 11.998 3.594 ( 8.293 -6.439 -2.473) 10.786 3.681 ( 8.749 5.690 -8.347) 13.364 3.848 ( 1.974 2.398 -6.887) 7.555 3.916 ( 10.812 3.364 -2.018) 11.501 4.035 ( 1.284 -4.175 -4.764) 6.464 4.108 ( 10.171 5.900 1.281) 11.828 4.144 ( -12.780 -1.173 -3.341) 13.262 4.285 ( -4.144 0.538 0.385) 4.197 4.409 ( 19.574 2.346 4.995) 20.337 4.441 ( 6.287 5.329 -5.610) 9.970 4.629 ( 2.484 2.700 2.497) 4.438 4.697 ( 5.066 -2.785 -5.195) 7.772 4.848 ( -3.438 2.658 2.392) 4.960 4.862 ( 2.575 -3.061 -0.880) 4.095 5.013 ( 2.690 -5.059 6.673) 8.796 5.093 ( 5.721 -2.395 -1.749) 6.444 5.120 ( 1.025 -1.919 -1.085) 2.431 5.233 ( -2.119 -0.531 4.350) 4.867 5.299 ( -4.473 -3.207 4.012) 6.811 5.428 ( -1.482 4.590 2.156) 5.283 5.488 ( -1.364 1.828 2.661) 3.505 5.578 ( 6.540 2.361 7.779) 10.433 5.633 ( -7.848 -2.231 -0.178) 8.161 5.699 ( 7.359 -2.485 3.812) 8.652 5.814 ( 1.584 -5.746 3.981) 7.168 5.861 ( -2.615 -1.493 0.305) 3.026 5.977 ( -10.928 6.309 2.081) 12.789 6.045 ( 7.658 1.811 -5.172) 9.417 6.089 ( 1.400 4.358 1.077) 4.702 6.212 ( 0.094 -6.845 -1.913) 7.108 6.255 ( 3.983 -5.613 1.426) 7.029 6.353 ( 5.529 1.014 -0.973) 5.705 6.411 ( -5.309 -4.047 2.550) 7.146 6.497 ( 3.395 -4.818 -0.900) 5.963 6.709 ( 4.936 2.504 -1.917) 5.858 6.869 ( -3.842 3.269 -7.632) 9.148 6.932 ( -0.346 7.746 -1.202) 7.846 7.025 ( -5.548 0.188 0.784) 5.606 7.056 ( -1.013 4.725 -3.562) 6.003 7.094 ( 0.845 3.230 3.140) 4.583 7.157 ( 0.923 5.793 -3.275) 6.718 7.260 ( 8.439 2.755 0.189) 8.879 7.461 ( 3.781 2.546 2.643) 5.269 7.538 ( -3.033 -4.048 -1.103) 5.177 7.646 ( -7.598 -3.473 1.016) 8.415 7.689 ( 4.401 -2.208 -6.267) 7.970 7.719 ( 5.014 -3.135 -8.244) 10.146 7.732 ( 2.867 -3.032 1.179) 4.336 7.892 ( -1.875 -9.744 -0.924) 9.965 7.975 ( 0.945 -6.507 2.720) 7.116 8.033 ( -3.850 2.515 1.287) 4.775 8.154 ( -3.759 -0.400 3.622) 5.235 8.204 ( 2.920 -0.292 -0.865) 3.060 8.276 ( -5.668 -0.778 -0.421) 5.736 8.558 ( 3.987 6.567 1.485) 7.825 8.686 ( 5.329 0.330 2.728) 5.996 8.753 ( 6.550 0.058 -0.984) 6.623 8.925 ( -1.676 1.347 -1.804) 2.807 8.998 ( 0.216 3.510 3.941) 5.282 9.082 ( 0.139 -2.394 2.055) 3.158 9.158 ( 1.702 0.031 -3.532) 3.921 9.202 ( 1.669 0.739 -1.694) 2.490 9.315 ( -2.822 3.012 -1.755) 4.485 9.591 ( -4.346 -5.064 -0.470) 6.690 9.679 ( 1.100 0.786 1.019) 1.693 9.739 ( -0.084 4.447 -1.533) 4.705 9.761 ( -1.867 -0.913 0.376) 2.112 9.933 ( -2.761 -0.779 4.726) 5.529 11.129 ( -3.500 2.381 1.852) 4.620 11.274 ( 3.112 -2.844 -0.763) 4.284 11.490 ( 3.147 -1.111 2.333) 4.072 11.532 ( 9.766 -1.073 -1.319) 9.913 11.578 ( 4.423 1.901 6.401) 8.009 11.658 ( 4.619 0.471 -0.126) 4.645 11.721 ( -2.775 2.377 -4.912) 6.122 11.859 ( -0.241 -5.808 -3.395) 6.732 12.070 ( 0.443 0.026 4.535) 4.557 12.145 ( 0.537 -1.467 0.721) 1.720 12.252 ( 1.656 3.273 -2.217) 4.286 12.381 ( 1.867 0.754 0.011) 2.013 12.694 ( 0.362 1.863 -1.759) 2.588 12.786 ( 2.427 -2.530 2.061) 4.067 12.856 ( 1.797 1.823 -0.868) 2.703 12.930 ( -2.980 0.378 -1.836) 3.520 13.099 ( -2.828 5.138 -0.036) 5.865 13.292 ( 3.499 2.313 -3.114) 5.224 13.424 ( -0.447 -3.125 1.850) 3.659 13.532 ( -1.921 1.344 0.330) 2.368 13.673 ( -4.127 -1.706 3.207) 5.498 13.742 ( -1.936 -1.778 -1.694) 3.127 13.761 ( 0.477 0.963 0.103) 1.079 13.834 ( -2.616 -0.289 -1.383) 2.973 14.308 ( 3.007 -2.525 0.373) 3.944 14.453 ( -6.494 -5.879 -2.588) 9.134 14.630 ( 3.290 1.844 -0.820) 3.860 14.750 ( 4.669 -3.388 2.591) 6.323 14.905 ( 0.293 7.060 -2.497) 7.495 15.151 ( -2.923 -3.381 -4.183) 6.121 15.277 ( -0.118 2.658 -1.056) 2.862 15.441 ( 3.299 2.270 1.775) 4.380 15.555 ( -11.521 0.423 2.499) 11.797 15.613 ( -7.459 2.054 -1.481) 7.877 15.728 ( -5.619 -2.129 -1.702) 6.245 15.940 ( -0.482 -10.956 -8.296) 13.751 16.043 ( -5.725 5.533 4.341) 9.069 16.133 ( -8.923 1.141 5.076) 10.329 16.374 ( 3.719 6.202 7.862) 10.682 16.591 ( -7.100 -2.760 4.795) 9.001 16.729 ( -5.000 -1.706 4.995) 7.271 16.757 ( -3.772 -3.336 -5.932) 7.781 17.052 ( 0.696 3.598 1.728) 4.052 17.245 ( 0.226 -1.673 -0.700) 1.827 17.619 ( 1.354 1.869 -6.204) 6.619 17.646 ( -0.554 1.002 -2.079) 2.374 17.723 ( -1.810 1.131 -4.195) 4.707 17.779 ( -6.763 2.187 -3.707) 8.017 17.795 ( -2.661 1.246 -4.064) 5.015 17.891 ( -2.971 -4.136 -0.526) 5.119 18.111 ( -7.721 1.107 -1.415) 7.928 18.150 ( -3.824 1.410 6.546) 7.711 18.240 ( -1.546 -5.196 2.460) 5.953 18.335 ( -2.065 -4.765 0.970) 5.284 18.530 ( -2.014 6.042 3.853) 7.444 18.600 ( -3.950 3.249 1.446) 5.315 18.747 ( -4.560 -0.188 -1.299) 4.745 18.845 ( -6.038 -4.173 -0.355) 7.348 19.079 ( 2.753 1.597 -4.878) 5.824 19.137 ( 1.737 -0.802 0.013) 1.913 22.017 ( -0.206 1.513 -0.226) 1.544 22.047 ( -0.341 1.870 -0.093) 1.903 22.118 ( -2.424 -0.101 -0.196) 2.434 22.256 ( -3.686 -4.101 -0.975) 5.600 22.613 ( -1.001 0.644 -1.722) 2.093 22.630 ( -0.663 -0.243 -0.431) 0.827 22.668 ( -1.165 2.149 0.919) 2.611 22.779 ( -2.780 -2.254 2.830) 4.563 27.190 ( 1.230 -0.084 -0.497) 1.329 27.228 ( 0.927 -1.862 -0.297) 2.101 27.357 ( 1.640 2.224 0.681) 2.846 27.403 ( 1.890 -0.118 1.083) 2.182 27.612 ( 1.242 1.089 -0.928) 1.895 27.636 ( 1.297 0.037 -0.661) 1.456 27.804 ( -0.797 0.200 1.264) 1.507 27.821 ( -1.365 -0.208 1.660) 2.160 35.737 ( 3.232 2.082 2.651) 4.670 35.845 ( -2.324 1.032 5.942) 6.464 35.953 ( 5.221 -3.381 1.622) 6.428 36.092 ( -2.029 -7.301 5.630) 9.440 36.502 ( 4.872 5.175 -0.321) 7.115 36.525 ( 4.420 5.701 -2.895) 7.772 37.352 ( -2.573 3.412 -1.312) 4.471 37.436 ( -3.718 4.704 -1.561) 6.196 37.834 ( 2.218 -0.845 0.612) 2.451 38.155 ( 11.380 -16.240 -2.553) 19.994 38.452 ( 6.290 -2.988 -10.942) 12.970 38.508 ( 4.465 -8.427 -0.856) 9.576 38.952 ( 8.984 15.793 12.177) 21.872 39.468 ( 13.129 -2.411 12.229) 18.103 39.800 ( 6.233 16.274 -0.791) 17.445 40.578 ( 4.534 -12.382 -16.572) 21.178 ======================= Grid point 70 (34/84) ======================= q-point: ( 0.36 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 7.746 2.717 1.595) 8.362 2.468 ( 0.277 -3.947 1.827) 4.358 2.686 ( -2.394 5.011 3.189) 6.404 2.872 ( 1.545 -2.869 -0.379) 3.280 2.928 ( 13.981 -1.052 4.842) 14.833 3.088 ( 12.021 -6.899 14.444) 20.018 3.316 ( 12.567 7.988 4.335) 15.509 3.621 ( -2.522 -4.118 -6.079) 7.763 3.690 ( 7.444 1.789 -4.705) 8.987 3.790 ( 0.353 5.427 -6.564) 8.524 3.803 ( -0.307 -1.033 -1.591) 1.922 3.984 ( 1.194 -0.980 -8.955) 9.087 4.049 ( 4.944 -3.907 0.765) 6.348 4.146 ( 10.794 -2.642 -2.401) 11.369 4.186 ( -1.551 5.447 -4.275) 7.096 4.270 ( 6.789 2.068 4.465) 8.384 4.503 ( 3.078 4.054 -7.478) 9.046 4.623 ( -2.284 -0.343 -1.970) 3.036 4.665 ( 4.937 -0.025 5.850) 7.655 4.741 ( 2.155 -0.445 2.661) 3.452 4.881 ( 0.278 -1.214 1.714) 2.118 4.943 ( 3.974 -2.644 0.800) 4.839 5.055 ( 0.541 -5.266 -0.112) 5.295 5.076 ( -3.745 -5.214 -0.296) 6.426 5.098 ( -2.363 -2.721 0.404) 3.627 5.184 ( -7.807 -2.352 5.002) 9.566 5.324 ( -0.230 2.898 -0.507) 2.951 5.381 ( -1.742 1.567 0.113) 2.346 5.466 ( -0.442 6.247 0.277) 6.269 5.544 ( -2.105 1.474 2.794) 3.797 5.667 ( -3.776 -1.828 -1.506) 4.457 5.717 ( -2.696 -0.317 -6.908) 7.423 5.822 ( 6.510 1.712 2.965) 7.355 5.878 ( 2.066 3.491 5.537) 6.863 5.919 ( 2.324 -1.401 2.660) 3.800 6.090 ( -3.174 -2.947 -2.270) 4.890 6.133 ( -0.874 -1.675 7.772) 7.998 6.216 ( 0.942 1.157 0.835) 1.710 6.242 ( 3.535 6.367 -3.109) 7.919 6.421 ( 1.827 -1.783 0.986) 2.736 6.457 ( -2.186 1.826 -1.761) 3.349 6.521 ( 6.239 -3.124 0.088) 6.978 6.775 ( 3.113 -0.265 -3.589) 4.758 6.830 ( -0.087 2.787 -3.246) 4.279 6.905 ( -4.493 -1.620 2.008) 5.181 6.971 ( 3.730 -1.230 3.873) 5.516 7.026 ( 0.235 3.524 -1.174) 3.722 7.141 ( 0.719 4.837 -3.128) 5.806 7.175 ( 4.119 5.097 -2.672) 7.077 7.355 ( -1.588 3.382 2.394) 4.437 7.460 ( -2.948 -1.621 1.844) 3.836 7.531 ( -2.760 -2.943 5.488) 6.811 7.554 ( 1.282 -4.735 2.273) 5.406 7.657 ( -4.072 -7.443 1.513) 8.618 7.686 ( -0.969 -6.990 -5.170) 8.748 7.774 ( -7.016 -2.016 2.625) 7.757 7.919 ( 4.601 2.742 -6.221) 8.209 7.975 ( -2.526 2.397 -0.321) 3.497 8.076 ( 9.657 -0.440 -3.118) 10.157 8.125 ( 0.921 -1.841 2.892) 3.550 8.245 ( 2.582 0.329 0.642) 2.681 8.283 ( 6.039 -1.017 -4.074) 7.355 8.634 ( 2.446 3.508 2.390) 4.899 8.778 ( 4.463 -5.483 3.554) 7.913 8.870 ( 0.735 3.286 -4.040) 5.259 8.951 ( 8.010 2.268 -3.215) 8.925 9.010 ( 0.395 1.429 3.040) 3.382 9.080 ( 0.368 -0.990 -0.222) 1.079 9.174 ( 1.308 -0.298 -2.116) 2.505 9.206 ( 0.094 0.943 -2.283) 2.472 9.288 ( -0.026 3.934 0.711) 3.998 9.516 ( -3.488 -5.094 0.929) 6.243 9.674 ( -1.195 1.903 -1.001) 2.460 9.742 ( -0.134 -2.818 0.560) 2.876 9.768 ( 2.239 3.727 -0.282) 4.357 9.911 ( -1.804 0.016 3.669) 4.088 11.051 ( -4.577 2.418 2.540) 5.766 11.232 ( -3.692 -5.138 -2.584) 6.835 11.525 ( -0.988 3.332 -5.839) 6.795 11.661 ( 1.951 2.980 1.831) 4.005 11.687 ( 6.341 1.972 2.650) 7.150 11.745 ( 5.948 -2.262 0.043) 6.364 11.792 ( 7.075 -0.515 2.101) 7.399 11.870 ( 3.101 -5.681 0.412) 6.486 12.079 ( -0.710 1.535 0.946) 1.938 12.192 ( 1.722 -3.112 3.270) 4.831 12.256 ( 0.120 4.105 -1.431) 4.348 12.384 ( -0.766 0.432 -0.668) 1.105 12.672 ( -1.177 3.236 -3.405) 4.843 12.834 ( 0.953 -3.264 -0.462) 3.431 12.843 ( -1.182 -0.623 0.550) 1.445 12.917 ( 1.207 -0.646 1.868) 2.316 13.054 ( -1.624 5.129 -0.660) 5.420 13.208 ( -4.573 -2.649 -5.257) 7.455 13.462 ( -4.230 2.069 -2.534) 5.347 13.529 ( 3.976 3.423 5.601) 7.674 13.547 ( -7.707 -0.925 0.717) 7.795 13.758 ( -0.659 -3.456 -0.417) 3.543 13.831 ( 7.552 0.332 0.462) 7.574 13.865 ( 6.974 -0.332 -2.023) 7.269 14.276 ( -5.458 -1.003 -4.702) 7.273 14.389 ( 2.381 -7.572 0.561) 7.958 14.674 ( 1.373 0.137 0.202) 1.394 14.811 ( 0.637 -4.267 0.110) 4.316 14.950 ( 4.104 4.364 2.505) 6.493 15.087 ( -1.186 -0.477 -3.270) 3.511 15.204 ( -7.319 2.743 0.839) 7.861 15.306 ( -14.329 0.116 1.446) 14.402 15.366 ( -7.461 9.336 -0.765) 11.975 15.567 ( -0.903 1.123 1.736) 2.256 15.673 ( -0.474 -1.522 1.816) 2.417 15.785 ( -7.314 -6.088 -6.278) 11.401 16.007 ( -1.678 1.449 -3.930) 4.512 16.056 ( -2.132 -0.888 1.300) 2.651 16.462 ( -8.063 2.688 7.394) 11.266 16.522 ( 4.474 -0.184 1.430) 4.701 16.623 ( -7.545 -4.234 0.123) 8.653 16.690 ( -3.057 -1.234 10.724) 11.219 17.083 ( 1.642 3.813 1.314) 4.354 17.232 ( -1.272 0.198 -0.587) 1.415 17.582 ( -2.683 -0.051 -2.832) 3.901 17.611 ( -4.484 -0.737 -2.763) 5.318 17.653 ( 3.132 1.731 -3.346) 4.899 17.713 ( -0.704 1.049 -4.050) 4.243 17.745 ( 0.781 2.255 -5.217) 5.737 17.871 ( 0.995 -2.956 -3.630) 4.786 17.984 ( -4.917 1.826 1.617) 5.489 18.149 ( -0.437 1.892 5.612) 5.939 18.207 ( -2.361 -6.490 -0.094) 6.906 18.321 ( -0.923 -4.849 1.883) 5.283 18.479 ( -4.909 3.445 1.121) 6.101 18.561 ( -1.583 4.725 2.616) 5.628 18.649 ( -4.929 -1.552 -1.705) 5.442 18.747 ( -4.061 -2.680 -0.793) 4.930 19.105 ( 2.415 1.759 -3.594) 4.674 19.165 ( 1.390 -0.736 -0.719) 1.729 22.013 ( -0.038 1.603 -0.261) 1.624 22.040 ( -0.396 1.474 -0.024) 1.526 22.084 ( -1.255 -0.173 0.292) 1.300 22.194 ( -2.499 -3.270 -0.646) 4.166 22.592 ( -0.463 0.700 -1.063) 1.354 22.611 ( -0.804 0.094 -0.355) 0.884 22.660 ( -0.480 1.269 0.759) 1.554 22.740 ( -2.597 -1.627 1.659) 3.485 27.216 ( 1.560 -0.693 0.029) 1.708 27.244 ( 0.903 -2.286 -0.058) 2.459 27.385 ( 0.991 2.618 0.484) 2.841 27.432 ( 0.751 0.286 0.630) 1.021 27.629 ( 1.061 0.905 -0.604) 1.520 27.654 ( 1.053 -0.013 -0.866) 1.364 27.793 ( -0.911 -0.012 0.675) 1.134 27.800 ( -1.638 -0.169 1.155) 2.012 35.783 ( -0.630 1.622 4.700) 5.011 35.861 ( 1.090 2.407 4.219) 4.978 36.034 ( 0.946 -7.194 1.736) 7.461 36.105 ( 1.747 -5.600 4.529) 7.411 36.527 ( 2.504 10.529 -1.232) 10.892 36.690 ( 10.081 2.488 -1.911) 10.558 37.250 ( -6.545 0.681 -3.282) 7.353 37.327 ( -6.398 1.077 -2.181) 6.845 37.889 ( 2.590 3.430 1.879) 4.691 38.305 ( 6.706 -11.462 -5.080) 14.218 38.483 ( 3.242 -6.388 -1.948) 7.423 38.640 ( 7.923 -11.276 -2.455) 13.998 39.151 ( 5.220 17.569 10.624) 21.185 39.674 ( 6.193 5.126 1.541) 8.185 39.927 ( 4.500 7.302 6.259) 10.618 40.586 ( 4.924 -10.604 -12.718) 17.276 ======================= Grid point 71 (35/84) ======================= q-point: ( 0.45 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 5.103 -0.003 2.027) 5.491 2.464 ( -0.999 -1.367 1.170) 2.058 2.632 ( -2.698 6.241 3.854) 7.816 2.894 ( 0.066 -4.638 1.097) 4.766 3.151 ( 3.249 1.480 5.719) 6.742 3.316 ( 4.415 -4.256 11.714) 13.222 3.465 ( -1.458 1.258 -5.921) 6.226 3.574 ( 5.499 -1.734 -4.931) 7.587 3.718 ( -2.574 9.193 -3.395) 10.133 3.745 ( 0.120 1.327 0.265) 1.359 3.799 ( -1.595 -0.558 -3.275) 3.686 3.948 ( -1.836 1.889 -1.188) 2.890 4.096 ( 8.847 -0.917 -14.272) 16.816 4.294 ( 6.555 -7.256 1.852) 9.952 4.314 ( 9.465 -0.385 -1.936) 9.669 4.389 ( 3.335 -0.575 2.407) 4.153 4.520 ( -6.337 1.293 -1.977) 6.763 4.561 ( 5.481 3.301 -2.531) 6.881 4.703 ( -3.993 0.624 2.043) 4.529 4.802 ( -3.585 -3.099 2.667) 5.438 4.854 ( 0.873 4.445 1.307) 4.715 4.958 ( -1.099 -5.273 4.439) 6.980 4.997 ( -5.621 -6.557 2.646) 9.033 5.059 ( 0.002 -0.457 0.513) 0.687 5.077 ( 2.936 -3.250 3.078) 5.353 5.120 ( -4.178 0.479 -0.636) 4.253 5.264 ( 4.096 0.109 -1.539) 4.377 5.314 ( -4.009 1.127 0.681) 4.219 5.428 ( -2.652 3.883 -1.525) 4.943 5.513 ( -3.203 -1.784 -1.599) 4.000 5.594 ( -2.649 -2.118 -3.476) 4.856 5.674 ( 0.397 -4.059 -5.864) 7.143 5.907 ( -0.586 1.836 1.358) 2.358 5.955 ( -7.888 -1.721 -0.961) 8.130 5.996 ( 4.733 6.491 -3.557) 8.786 6.039 ( 5.751 2.275 7.087) 9.406 6.141 ( 3.443 1.193 2.799) 4.595 6.218 ( -2.983 -0.213 5.569) 6.321 6.323 ( 1.682 5.027 0.860) 5.370 6.401 ( 0.322 3.361 0.447) 3.406 6.501 ( 6.133 4.783 1.922) 8.012 6.614 ( 3.888 0.829 -3.988) 5.631 6.758 ( -1.339 0.500 -3.257) 3.557 6.846 ( -1.157 -3.228 1.030) 3.581 6.879 ( 2.732 -2.294 -1.341) 3.811 7.024 ( -0.232 0.571 1.482) 1.605 7.072 ( 3.252 -0.203 5.196) 6.134 7.181 ( 4.941 -1.262 -3.531) 6.203 7.222 ( 1.153 2.660 1.017) 3.072 7.312 ( -1.510 0.416 1.989) 2.531 7.402 ( -2.326 0.211 0.179) 2.342 7.464 ( -8.851 -6.164 8.323) 13.624 7.538 ( -4.829 -0.403 2.440) 5.425 7.623 ( -4.720 -2.628 -1.976) 5.753 7.662 ( 0.130 -5.626 3.364) 6.556 7.706 ( 4.286 -8.237 -7.226) 11.766 7.884 ( -4.341 5.386 3.177) 7.612 7.928 ( -1.292 3.233 -1.802) 3.920 8.134 ( -1.739 0.757 4.147) 4.561 8.239 ( 6.196 1.256 -3.827) 7.390 8.271 ( 0.226 3.293 -3.407) 4.744 8.435 ( 9.337 -2.503 -4.647) 10.726 8.676 ( 1.307 4.629 2.342) 5.350 8.846 ( 3.063 1.762 -2.967) 4.614 8.874 ( 0.714 -2.946 -0.764) 3.126 8.954 ( -3.264 -1.386 1.688) 3.928 9.081 ( 2.748 -0.333 -5.576) 6.226 9.117 ( 3.185 -1.134 -0.448) 3.410 9.166 ( -0.218 -1.248 -1.661) 2.089 9.235 ( 1.132 -2.315 -0.985) 2.759 9.304 ( 2.702 6.217 3.913) 7.828 9.486 ( -0.696 -3.430 2.542) 4.326 9.640 ( -1.905 2.634 -0.679) 3.321 9.741 ( -0.643 -2.569 1.367) 2.981 9.803 ( 1.715 2.239 -1.634) 3.259 9.901 ( -1.138 0.307 2.049) 2.364 11.013 ( -1.265 1.653 4.369) 4.839 11.160 ( -1.917 -4.745 -3.427) 6.159 11.458 ( -1.057 4.928 -8.560) 9.934 11.674 ( -1.885 -1.342 -0.025) 2.314 11.779 ( 2.245 0.116 -0.488) 2.300 11.812 ( 3.357 1.376 -0.170) 3.632 11.928 ( 3.357 -0.311 4.240) 5.417 11.967 ( 4.323 -3.055 7.297) 9.015 12.068 ( -0.270 1.049 -0.449) 1.172 12.150 ( -4.179 -1.915 -4.048) 6.125 12.281 ( 0.141 3.182 2.470) 4.031 12.364 ( -0.818 0.593 -0.339) 1.066 12.657 ( 1.756 2.505 -0.253) 3.070 12.814 ( -0.217 -3.634 0.913) 3.754 12.871 ( 1.588 -0.776 -0.375) 1.806 12.946 ( 0.923 -2.110 -0.761) 2.426 13.019 ( -1.631 4.573 0.157) 4.857 13.155 ( 0.558 -1.685 -3.086) 3.560 13.381 ( -2.399 0.536 -3.173) 4.014 13.414 ( -4.899 0.486 -0.868) 4.999 13.573 ( -1.705 2.976 2.334) 4.149 13.737 ( -0.406 -2.339 -2.109) 3.176 13.967 ( 3.438 -0.531 -0.865) 3.585 13.988 ( 6.153 -0.788 -0.376) 6.215 14.223 ( 2.561 0.379 -0.524) 2.641 14.427 ( 0.061 -10.513 -0.765) 10.541 14.674 ( -1.313 0.046 0.441) 1.386 14.793 ( -0.293 -3.637 -2.670) 4.521 15.033 ( -4.572 2.463 2.158) 5.624 15.049 ( 2.579 2.740 3.101) 4.876 15.114 ( -1.201 2.371 3.190) 4.152 15.135 ( -3.112 1.909 4.340) 5.671 15.273 ( -1.162 11.687 -1.337) 11.821 15.546 ( -1.778 0.036 1.635) 2.415 15.653 ( -2.798 -3.944 -2.531) 5.458 15.693 ( 0.900 -3.866 -1.712) 4.323 15.946 ( -1.988 2.470 -4.821) 5.770 16.027 ( -1.087 -0.570 -2.646) 2.917 16.293 ( -9.584 0.263 -2.624) 9.940 16.432 ( -6.795 -4.889 -3.572) 9.101 16.687 ( 2.224 -0.366 13.600) 13.785 16.730 ( 1.764 -0.987 10.491) 10.684 17.122 ( 1.737 3.994 1.390) 4.572 17.204 ( -1.283 3.114 0.359) 3.387 17.534 ( -1.081 -2.109 -1.823) 2.990 17.557 ( -0.278 -2.505 -2.099) 3.280 17.665 ( -0.561 0.925 -2.987) 3.177 17.703 ( 1.992 -0.163 -3.657) 4.167 17.771 ( 5.035 3.955 -7.508) 9.867 17.848 ( -0.614 1.940 -3.919) 4.416 17.975 ( 1.365 -0.846 3.934) 4.249 18.161 ( -2.094 -6.911 -0.671) 7.252 18.179 ( -0.595 1.710 6.964) 7.196 18.316 ( -0.329 -3.617 1.385) 3.887 18.393 ( -3.950 2.742 -0.534) 4.838 18.550 ( -0.851 4.158 1.917) 4.657 18.559 ( -3.380 -3.118 -2.111) 5.060 18.685 ( -2.018 -1.245 -1.628) 2.877 19.133 ( 2.299 1.557 -2.203) 3.544 19.180 ( 0.866 -0.453 -1.427) 1.729 22.014 ( 0.254 1.531 -0.139) 1.558 22.031 ( -0.408 1.428 -0.323) 1.520 22.075 ( -0.163 -0.386 0.878) 0.973 22.158 ( -1.028 -2.688 -0.602) 2.940 22.587 ( 0.289 0.637 -0.175) 0.721 22.606 ( 0.348 0.117 0.505) 0.624 22.653 ( -0.453 0.641 -0.046) 0.786 22.701 ( -2.177 -1.051 0.465) 2.461 27.243 ( 1.005 -1.277 0.477) 1.694 27.259 ( 0.512 -2.459 0.355) 2.536 27.398 ( 0.237 2.880 0.250) 2.900 27.438 ( -0.270 0.924 -0.017) 0.963 27.645 ( 0.865 0.546 -0.222) 1.047 27.667 ( 0.998 -0.137 -0.987) 1.410 27.775 ( -1.555 -0.019 0.817) 1.757 27.778 ( -0.956 -0.118 0.224) 0.989 35.780 ( -1.919 1.125 4.581) 5.092 35.899 ( -0.117 4.884 4.124) 6.394 36.031 ( -1.154 -10.122 2.768) 10.557 36.165 ( 1.044 -5.601 3.405) 6.637 36.589 ( 4.335 12.971 -0.909) 13.707 36.841 ( 6.220 5.832 -2.731) 8.953 37.106 ( -6.733 -4.184 -1.452) 8.059 37.222 ( -1.228 -1.832 -4.334) 4.863 37.934 ( 0.749 5.362 2.601) 6.007 38.361 ( 3.246 -2.159 -6.989) 8.003 38.540 ( 1.815 -13.400 2.369) 13.728 38.746 ( 4.501 -13.119 -2.027) 14.017 39.243 ( -0.841 16.996 8.536) 19.037 39.742 ( 1.167 5.456 -1.285) 5.725 39.995 ( -0.604 7.476 5.543) 9.326 40.630 ( 5.889 -9.994 -8.824) 14.575 ======================= Grid point 72 (36/84) ======================= q-point: (-0.45 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( -1.915 0.073 0.041) 1.916 2.467 ( -0.947 -0.430 1.591) 1.900 2.693 ( 4.206 2.353 7.993) 9.333 2.865 ( -4.209 -4.771 -0.615) 6.392 3.108 ( -8.775 4.159 5.617) 11.218 3.243 ( -15.583 5.009 -6.047) 17.450 3.395 ( -2.411 -2.862 6.540) 7.535 3.547 ( -5.950 -6.142 -5.639) 10.243 3.656 ( -1.124 1.054 -0.754) 1.715 3.777 ( 2.852 -0.650 -1.733) 3.400 3.805 ( 4.309 6.968 -0.172) 8.195 3.988 ( 4.068 1.818 0.725) 4.514 4.181 ( 3.816 -0.598 -7.007) 8.001 4.257 ( -13.032 -1.897 -1.797) 13.291 4.333 ( -5.686 -3.253 -2.888) 7.159 4.398 ( 2.722 -6.725 -0.391) 7.266 4.542 ( 6.225 2.913 -3.749) 7.829 4.611 ( -0.214 0.227 0.464) 0.559 4.656 ( 2.240 2.898 -1.429) 3.931 4.740 ( -0.771 -2.857 -3.485) 4.572 4.864 ( -0.347 5.016 1.094) 5.145 4.898 ( -4.704 1.646 7.317) 8.853 5.016 ( -1.819 -3.133 0.800) 3.711 5.059 ( 2.333 -1.669 0.950) 3.022 5.118 ( 4.418 -1.476 1.583) 4.920 5.131 ( 0.238 -0.234 3.630) 3.646 5.314 ( 0.293 6.242 -2.322) 6.666 5.381 ( 0.469 -2.912 0.974) 3.106 5.400 ( -0.786 0.918 -2.325) 2.621 5.427 ( 6.133 -1.124 -1.768) 6.481 5.566 ( -2.118 -5.853 1.094) 6.320 5.676 ( 3.880 -5.247 -5.120) 8.294 5.785 ( -5.507 4.932 -2.867) 7.929 5.887 ( -1.910 -0.822 0.839) 2.242 5.976 ( -3.891 9.745 -1.320) 10.576 6.097 ( -1.270 1.312 4.928) 5.255 6.225 ( -1.832 -1.382 8.812) 9.106 6.234 ( 2.646 -2.261 3.055) 4.631 6.389 ( 5.110 -3.621 1.798) 6.516 6.426 ( 1.511 2.905 -0.298) 3.288 6.610 ( 5.008 2.119 -5.907) 8.029 6.634 ( -1.233 4.712 -2.824) 5.630 6.714 ( -2.051 0.299 0.045) 2.073 6.817 ( -2.617 -1.849 4.865) 5.825 6.898 ( -1.780 -0.365 1.091) 2.119 7.062 ( 3.892 -0.895 -2.553) 4.739 7.108 ( -1.707 -0.987 3.636) 4.136 7.151 ( -3.957 5.085 4.006) 7.587 7.280 ( 0.386 -4.787 1.646) 5.077 7.323 ( -2.345 -5.034 4.612) 7.218 7.407 ( 6.128 -0.505 1.362) 6.297 7.414 ( 0.852 -3.494 -3.429) 4.969 7.475 ( -2.699 2.483 -0.088) 3.668 7.517 ( -0.297 1.241 -3.096) 3.349 7.706 ( 1.038 -4.166 -0.102) 4.295 7.737 ( 0.236 -10.569 -0.175) 10.573 7.816 ( -5.140 6.272 3.436) 8.807 7.906 ( 0.540 3.890 -3.716) 5.407 8.074 ( -4.762 -0.018 2.390) 5.329 8.220 ( -2.201 0.442 -3.710) 4.336 8.331 ( 5.005 7.302 -6.775) 11.148 8.476 ( -2.516 -1.533 3.039) 4.233 8.698 ( -1.066 7.145 1.588) 7.396 8.829 ( -3.238 -0.270 -4.150) 5.271 8.874 ( -2.750 -4.655 1.480) 5.606 8.947 ( 3.552 -0.064 -0.251) 3.561 9.038 ( -1.862 0.874 -4.335) 4.798 9.144 ( -3.545 -2.914 -1.319) 4.775 9.177 ( 2.926 -0.170 -1.248) 3.186 9.214 ( -0.666 -1.528 -0.364) 1.706 9.400 ( 2.529 1.324 4.465) 5.299 9.492 ( 0.182 -1.405 0.818) 1.636 9.607 ( -0.942 2.933 -0.822) 3.189 9.753 ( 1.196 -0.930 4.252) 4.514 9.804 ( -0.685 0.437 -2.221) 2.365 9.883 ( -1.741 -0.422 0.796) 1.960 11.047 ( 1.842 0.553 4.969) 5.328 11.133 ( 0.903 -3.405 -3.109) 4.699 11.410 ( 0.365 4.457 -6.897) 8.219 11.596 ( -4.883 -2.457 -4.645) 7.173 11.779 ( -1.009 1.570 -2.552) 3.162 11.842 ( -1.050 0.653 1.270) 1.773 11.965 ( -1.337 2.562 2.954) 4.133 12.022 ( -2.424 -0.755 4.133) 4.851 12.062 ( -2.568 -0.933 1.470) 3.103 12.097 ( 1.575 -4.802 3.669) 6.245 12.269 ( -1.079 3.797 -0.148) 3.950 12.356 ( 0.249 0.120 -1.045) 1.081 12.732 ( 4.595 2.128 1.601) 5.311 12.819 ( 0.399 0.236 -2.115) 2.165 12.883 ( -1.499 -1.486 0.502) 2.170 12.948 ( 1.765 -2.678 0.780) 3.301 13.037 ( 2.413 2.085 0.630) 3.250 13.133 ( -0.136 -1.576 -3.378) 3.730 13.364 ( 2.069 -1.068 -3.257) 4.004 13.383 ( 1.764 -0.893 -3.477) 4.000 13.542 ( -1.020 4.661 2.390) 5.337 13.727 ( 0.684 -1.743 -1.490) 2.393 13.940 ( -5.321 1.136 -0.506) 5.464 14.028 ( -1.621 -0.758 -0.427) 1.840 14.301 ( 3.122 -3.735 1.836) 5.203 14.353 ( -5.524 -6.788 -2.973) 9.243 14.676 ( 2.259 2.870 -0.446) 3.679 14.824 ( 3.367 -3.632 0.025) 4.953 14.992 ( 1.502 4.360 0.614) 4.652 15.099 ( -2.220 4.354 2.293) 5.398 15.149 ( 4.758 -0.082 2.868) 5.556 15.175 ( 3.860 0.579 6.719) 7.771 15.343 ( 6.881 8.386 -0.602) 10.864 15.545 ( 1.216 0.979 3.782) 4.091 15.637 ( 2.952 -5.159 -3.260) 6.779 15.715 ( 2.918 -2.214 -3.234) 4.886 15.902 ( -0.040 1.162 -2.312) 2.588 15.965 ( -4.264 -0.763 -6.103) 7.484 16.119 ( -6.212 2.328 -2.069) 6.949 16.344 ( -0.699 -6.027 -2.253) 6.472 16.761 ( -0.071 1.300 11.573) 11.646 16.840 ( 2.679 -2.512 9.150) 9.860 17.160 ( 1.891 2.762 0.170) 3.352 17.199 ( 0.037 3.561 2.287) 4.232 17.523 ( 1.393 -2.390 -2.780) 3.922 17.564 ( 1.560 -1.995 -0.714) 2.631 17.651 ( 1.292 0.821 -3.974) 4.258 17.709 ( 0.786 -1.542 -3.805) 4.181 17.811 ( 3.044 2.208 -6.320) 7.354 17.857 ( 3.610 3.874 -3.541) 6.370 18.028 ( 1.632 -1.056 2.766) 3.381 18.125 ( -1.928 -4.678 2.361) 5.583 18.179 ( -3.192 1.898 6.713) 7.672 18.331 ( -0.432 -3.403 2.545) 4.271 18.345 ( 1.107 3.049 -3.029) 4.438 18.515 ( -0.242 -2.859 -1.464) 3.221 18.559 ( 1.468 1.814 0.005) 2.333 18.655 ( 0.070 -0.468 -2.518) 2.562 19.169 ( 2.469 0.813 -1.045) 2.802 19.184 ( 0.512 0.203 -1.689) 1.777 22.018 ( 0.003 1.383 -0.091) 1.386 22.027 ( 0.425 2.038 -0.284) 2.101 22.085 ( 0.670 -0.979 1.168) 1.665 22.150 ( 0.560 -2.439 -0.943) 2.674 22.600 ( 1.028 0.604 0.326) 1.236 22.626 ( 1.115 -0.369 0.458) 1.261 22.645 ( -0.119 0.505 0.320) 0.610 22.666 ( -1.563 -0.485 -0.528) 1.720 27.255 ( -0.030 -1.619 0.833) 1.821 27.266 ( 0.009 -2.370 0.402) 2.404 27.397 ( -0.579 2.690 0.426) 2.784 27.424 ( -0.979 1.462 -0.495) 1.828 27.659 ( 0.601 0.362 0.062) 0.704 27.680 ( 0.973 -0.206 -1.205) 1.562 27.751 ( -1.425 0.154 0.767) 1.625 27.761 ( -0.891 -0.174 -0.063) 0.910 35.763 ( -2.264 1.552 3.938) 4.800 35.882 ( -4.094 5.655 4.315) 8.208 36.043 ( 1.024 -10.776 1.993) 11.006 36.164 ( -3.070 -6.110 3.701) 7.775 36.643 ( 0.722 10.351 0.592) 10.393 36.852 ( -3.191 10.608 -1.192) 11.142 37.039 ( 2.686 -4.107 -5.032) 7.029 37.277 ( 7.836 -4.920 -2.299) 9.534 37.937 ( -2.026 5.388 2.855) 6.426 38.361 ( 0.764 1.945 -7.325) 7.617 38.557 ( -1.427 -16.021 2.990) 16.360 38.781 ( 0.326 -13.694 -1.829) 13.820 39.208 ( -7.199 15.023 7.142) 18.126 39.695 ( -6.571 -0.525 1.433) 6.746 39.977 ( -2.637 16.021 1.167) 16.278 40.709 ( 6.673 -10.849 -5.861) 14.021 ======================= Grid point 73 (37/84) ======================= q-point: (-0.36 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( -5.590 1.250 -1.437) 5.905 2.455 ( -4.611 -3.090 2.915) 6.270 2.605 ( -20.033 2.470 0.875) 20.204 2.796 ( -1.353 -3.704 7.218) 8.225 2.946 ( -14.815 6.923 -1.512) 16.422 2.987 ( -5.109 4.074 6.131) 8.960 3.302 ( -8.584 -4.512 9.039) 13.257 3.453 ( -1.715 -9.135 -7.422) 11.895 3.655 ( 1.154 -0.636 -2.897) 3.182 3.754 ( -1.497 0.511 -3.358) 3.712 3.901 ( 3.382 0.903 -0.187) 3.505 4.001 ( -7.893 1.553 0.192) 8.047 4.056 ( -1.212 2.760 -4.222) 5.187 4.184 ( -0.974 1.776 -3.694) 4.213 4.223 ( -3.110 -1.707 3.027) 4.664 4.397 ( -3.467 -5.203 0.109) 6.254 4.533 ( -0.761 3.698 -9.335) 10.070 4.564 ( 0.078 1.926 -10.363) 10.541 4.739 ( 4.477 0.043 1.496) 4.721 4.760 ( 1.714 -0.333 2.367) 2.941 4.862 ( -3.621 -0.704 1.468) 3.970 4.907 ( 0.921 3.475 3.955) 5.345 4.921 ( -8.575 2.492 1.680) 9.086 5.090 ( -2.686 -2.791 0.644) 3.927 5.119 ( -2.842 -4.676 -3.010) 6.245 5.170 ( -0.057 4.181 0.524) 4.214 5.251 ( 0.921 -4.418 2.324) 5.076 5.383 ( -0.164 5.011 1.109) 5.135 5.447 ( 4.111 0.589 -2.047) 4.630 5.545 ( 0.077 -0.026 3.767) 3.768 5.553 ( 4.727 2.023 3.213) 6.063 5.665 ( -1.477 -0.854 1.257) 2.119 5.810 ( 2.332 3.744 -2.405) 5.024 5.873 ( -3.476 4.021 2.406) 5.834 5.896 ( 2.055 2.739 -2.308) 4.130 6.125 ( 2.617 -2.609 2.070) 4.236 6.203 ( -3.651 -3.651 6.664) 8.430 6.246 ( -3.424 -3.419 -3.111) 5.753 6.406 ( -5.945 1.404 0.215) 6.112 6.463 ( -9.999 -7.672 1.728) 12.721 6.482 ( 3.203 -7.296 5.795) 9.852 6.669 ( 2.259 -3.037 -3.468) 5.134 6.741 ( -2.224 9.221 -0.405) 9.494 6.799 ( 5.975 2.506 4.317) 7.786 6.850 ( -5.018 -3.391 1.704) 6.291 7.055 ( -4.283 2.648 -0.414) 5.053 7.103 ( 0.565 -1.062 -3.262) 3.477 7.149 ( 1.590 6.018 -0.077) 6.225 7.275 ( -2.265 -1.771 -0.468) 2.913 7.324 ( -2.174 -3.477 3.800) 5.590 7.345 ( -1.158 -2.265 -4.198) 4.908 7.452 ( 2.974 -6.503 -5.256) 8.875 7.527 ( -1.241 1.192 -0.645) 1.838 7.584 ( 4.760 1.376 2.565) 5.580 7.647 ( -1.834 2.323 2.711) 4.014 7.724 ( -2.248 -6.931 -0.498) 7.304 7.773 ( 1.976 1.301 -6.366) 6.791 7.918 ( 2.985 -1.044 -2.692) 4.153 8.041 ( -1.082 -1.174 4.894) 5.148 8.176 ( 0.525 4.253 -2.647) 5.037 8.363 ( 3.421 7.178 -7.797) 11.137 8.451 ( -1.456 1.452 5.243) 5.632 8.622 ( -8.408 6.318 4.535) 11.453 8.717 ( -6.128 -1.515 -0.966) 6.386 8.873 ( 2.149 -0.900 -1.218) 2.629 8.958 ( -4.313 -4.116 2.988) 6.669 9.007 ( 0.680 1.948 -4.280) 4.751 9.029 ( -6.935 -0.502 0.669) 6.985 9.188 ( -0.256 0.725 0.108) 0.776 9.233 ( 2.279 -1.424 -1.346) 3.005 9.409 ( -0.474 -0.594 -2.113) 2.245 9.532 ( 1.468 -3.090 3.739) 5.068 9.602 ( 1.349 5.017 -0.958) 5.283 9.755 ( -2.807 1.226 -2.423) 3.906 9.828 ( 2.931 -1.783 5.605) 6.572 9.853 ( -1.086 -1.054 0.526) 1.602 11.110 ( 2.292 0.244 2.545) 3.433 11.156 ( 2.711 -1.896 -1.964) 3.847 11.406 ( 1.736 1.363 -1.835) 2.870 11.471 ( -4.803 -1.062 -5.313) 7.240 11.722 ( -4.447 1.604 -0.869) 4.806 11.769 ( -7.274 0.068 0.471) 7.289 11.930 ( -4.881 0.911 -1.357) 5.148 11.960 ( -0.615 0.367 3.292) 3.369 12.069 ( -1.953 -0.804 5.965) 6.328 12.131 ( 0.877 -3.458 1.629) 3.922 12.259 ( 0.060 3.448 0.171) 3.453 12.341 ( -1.934 -0.709 -1.445) 2.516 12.753 ( -0.786 0.935 -1.905) 2.263 12.825 ( -2.934 -0.760 -0.351) 3.051 12.875 ( 4.287 4.070 0.012) 5.911 12.997 ( -0.235 0.907 3.119) 3.257 13.056 ( 2.451 -1.045 -2.592) 3.718 13.218 ( 8.955 -4.073 -3.378) 10.402 13.352 ( -1.355 -0.426 -1.138) 1.820 13.417 ( 2.880 -3.029 -1.473) 4.432 13.605 ( 5.100 3.501 2.770) 6.778 13.758 ( 2.977 0.144 0.117) 2.983 13.821 ( -5.210 1.657 0.481) 5.488 13.934 ( -7.101 -1.340 -0.772) 7.267 14.258 ( -2.221 -1.613 -3.462) 4.418 14.341 ( 1.053 -5.413 -0.447) 5.533 14.714 ( 0.935 3.335 -0.661) 3.527 14.871 ( 0.104 -2.043 5.402) 5.777 15.049 ( 0.053 5.722 -1.356) 5.881 15.090 ( 4.785 3.584 -2.559) 6.503 15.255 ( 4.238 -1.002 -0.216) 4.360 15.296 ( 5.154 -3.631 3.955) 7.443 15.426 ( 2.801 4.036 -0.458) 4.934 15.636 ( 4.824 -1.420 -2.374) 5.561 15.729 ( 4.779 -0.805 6.682) 8.254 15.782 ( 5.175 -1.615 -3.483) 6.444 15.837 ( 0.798 1.624 -6.867) 7.102 15.939 ( 3.848 -1.227 1.411) 4.278 16.057 ( -0.876 4.916 0.476) 5.016 16.376 ( 4.617 -6.748 -1.021) 8.239 16.816 ( 0.605 2.106 7.616) 7.925 16.907 ( 0.140 -1.539 7.507) 7.664 17.194 ( 1.763 0.725 -0.995) 2.151 17.222 ( 0.657 1.079 3.562) 3.780 17.563 ( 4.653 -0.058 -4.561) 6.515 17.598 ( 2.397 -0.776 -1.117) 2.756 17.674 ( 3.739 -0.277 -4.655) 5.977 17.701 ( 0.924 -1.765 -3.343) 3.892 17.853 ( 4.394 0.080 -4.339) 6.176 17.903 ( 3.329 3.350 -4.459) 6.495 18.036 ( -1.650 -1.769 1.049) 2.636 18.112 ( -2.350 -1.188 6.267) 6.798 18.187 ( 1.949 2.033 5.101) 5.826 18.313 ( -1.413 -0.336 1.939) 2.422 18.398 ( 4.417 1.481 -2.037) 5.085 18.522 ( 0.961 -2.296 0.544) 2.548 18.607 ( 4.133 -0.450 -2.490) 4.846 18.668 ( 2.942 -0.693 -2.741) 4.080 19.178 ( 0.125 1.192 -1.656) 2.044 19.217 ( 2.584 -0.253 0.110) 2.599 22.018 ( 0.219 2.116 -0.212) 2.138 22.040 ( 0.866 2.171 0.076) 2.339 22.111 ( 1.398 -1.689 1.305) 2.552 22.167 ( 1.925 -2.365 -1.791) 3.536 22.614 ( -0.266 0.068 -0.719) 0.770 22.627 ( 0.063 -0.130 -1.574) 1.581 22.644 ( 0.191 0.774 0.212) 0.825 22.679 ( 2.023 -0.489 2.476) 3.235 27.252 ( -0.651 -1.616 0.675) 1.868 27.263 ( -0.490 -2.028 0.254) 2.102 27.379 ( -1.663 2.097 0.615) 2.746 27.400 ( -1.400 1.685 -0.122) 2.194 27.666 ( 0.130 0.381 0.065) 0.408 27.688 ( 0.563 -0.163 -1.753) 1.849 27.731 ( -1.310 0.301 1.104) 1.739 27.746 ( -0.690 -0.258 0.099) 0.743 35.739 ( -2.305 2.600 3.177) 4.708 35.808 ( -5.641 4.640 3.454) 8.080 36.065 ( -2.693 -7.852 2.835) 8.771 36.110 ( -1.970 -8.986 3.116) 9.713 36.626 ( -1.912 6.179 -0.066) 6.469 36.778 ( -4.375 6.028 4.063) 8.484 37.131 ( 9.313 5.245 -7.603) 13.116 37.420 ( 7.166 -4.525 -0.604) 8.496 37.893 ( -4.035 3.746 2.716) 6.139 38.310 ( -2.214 2.905 -7.183) 8.058 38.527 ( -2.747 -16.627 1.304) 16.903 38.742 ( -3.191 -12.998 -2.816) 13.677 39.062 ( -11.972 12.529 7.045) 18.706 39.524 ( -13.146 -5.185 6.646) 15.617 39.921 ( -3.258 24.431 -2.133) 24.740 40.808 ( 6.760 -13.304 -4.897) 15.706 ======================= Grid point 74 (38/84) ======================= q-point: (-0.27 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -28.587 9.278 6.004) 30.648 2.280 ( -8.037 -2.583 -3.782) 9.250 2.339 ( -22.262 1.585 12.538) 25.599 2.696 ( -5.194 5.038 -3.508) 8.042 2.747 ( -7.184 -11.038 8.285) 15.559 2.968 ( -1.445 -0.032 2.710) 3.071 3.228 ( -6.069 -8.551 6.555) 12.366 3.367 ( -4.686 -10.218 -0.962) 11.282 3.646 ( -3.528 2.462 -6.785) 8.034 3.712 ( 2.470 1.124 -3.411) 4.359 3.867 ( -3.969 7.146 -3.935) 9.072 3.900 ( -7.619 3.966 -8.319) 11.958 3.956 ( -1.388 0.143 -8.788) 8.898 4.130 ( -3.239 -0.472 -3.605) 4.869 4.175 ( -12.508 8.847 7.653) 17.126 4.359 ( -0.528 -3.645 2.264) 4.323 4.443 ( -9.259 9.804 0.015) 13.485 4.537 ( -4.498 1.212 -11.651) 12.548 4.594 ( 3.259 1.052 -2.016) 3.974 4.788 ( -0.359 1.928 2.849) 3.459 4.825 ( -1.358 -3.252 0.895) 3.636 4.855 ( -2.573 -3.398 7.670) 8.775 4.909 ( -2.248 0.916 2.908) 3.787 5.034 ( -0.944 -6.100 0.213) 6.176 5.125 ( 3.070 -1.497 -0.821) 3.513 5.191 ( 0.419 0.701 4.868) 4.937 5.289 ( -1.316 0.438 3.699) 3.950 5.376 ( 2.434 -2.664 -1.999) 4.125 5.492 ( -6.591 3.338 4.327) 8.561 5.523 ( 0.519 0.128 2.729) 2.781 5.633 ( -0.938 1.024 8.013) 8.132 5.696 ( 5.476 -1.209 1.192) 5.733 5.790 ( -1.777 3.776 1.012) 4.294 5.868 ( 0.894 1.889 -0.876) 2.265 5.977 ( 5.471 0.878 -3.864) 6.755 6.074 ( -10.292 -4.625 1.822) 11.429 6.145 ( -3.466 -0.549 -1.894) 3.988 6.189 ( -0.139 -0.128 -1.103) 1.119 6.214 ( -10.935 -1.468 3.773) 11.660 6.394 ( -4.241 -3.812 1.403) 5.872 6.527 ( -1.214 -7.691 -0.308) 7.792 6.641 ( -5.822 -8.797 1.406) 10.643 6.673 ( -2.847 4.800 4.908) 7.432 6.775 ( 1.442 -4.569 -4.715) 6.723 6.908 ( -8.293 0.467 -4.331) 9.367 6.989 ( 4.685 6.554 0.788) 8.095 7.056 ( -1.238 1.458 -5.537) 5.858 7.151 ( -5.073 3.509 -1.112) 6.268 7.175 ( -1.099 4.083 -0.295) 4.239 7.302 ( -0.303 -3.721 0.083) 3.734 7.341 ( 2.995 -5.856 -3.463) 7.433 7.465 ( 2.334 -4.867 -5.318) 7.577 7.522 ( 0.501 2.963 1.053) 3.184 7.619 ( 0.624 2.732 0.302) 2.819 7.704 ( 3.188 -9.738 -3.267) 10.755 7.718 ( 4.996 3.031 -2.832) 6.494 7.827 ( 6.224 3.723 -3.908) 8.238 7.948 ( -1.233 -8.131 -0.921) 8.275 8.041 ( -0.298 6.330 3.920) 7.451 8.235 ( 5.301 3.993 -1.048) 6.719 8.408 ( 1.821 6.782 0.164) 7.024 8.448 ( -7.323 6.356 5.040) 10.928 8.491 ( 1.290 6.532 0.665) 6.691 8.652 ( -0.816 -5.050 0.698) 5.163 8.837 ( -7.606 0.650 7.518) 10.714 8.879 ( -3.959 -6.691 -0.783) 7.814 8.959 ( 0.681 -1.082 -2.217) 2.559 9.000 ( -0.938 1.190 0.246) 1.535 9.202 ( 1.634 2.458 -0.892) 3.084 9.245 ( -0.407 -3.088 -1.165) 3.325 9.403 ( 1.358 -0.068 -3.049) 3.339 9.553 ( -0.898 -3.683 4.292) 5.726 9.651 ( 4.084 5.299 -2.115) 7.016 9.700 ( -1.014 2.736 -2.075) 3.580 9.832 ( 0.063 -0.624 0.419) 0.754 9.935 ( 4.154 -2.774 5.380) 7.341 11.145 ( 0.013 0.854 1.074) 1.372 11.193 ( 1.348 -1.131 -0.242) 1.777 11.376 ( -3.011 0.158 -1.245) 3.262 11.443 ( -0.747 -2.383 2.229) 3.348 11.598 ( -7.269 0.465 -0.764) 7.324 11.617 ( -6.410 -1.138 0.371) 6.521 11.881 ( 0.283 3.848 -1.196) 4.040 11.954 ( -2.258 -0.781 0.049) 2.390 12.023 ( -4.635 0.758 0.299) 4.706 12.151 ( 0.640 -3.723 1.953) 4.253 12.272 ( 0.501 1.756 0.080) 1.828 12.282 ( -1.903 1.150 -1.168) 2.512 12.747 ( 0.569 0.027 -0.115) 0.581 12.771 ( -2.711 -0.443 1.017) 2.929 12.931 ( 1.436 3.208 -1.116) 3.688 12.995 ( -0.262 5.578 1.859) 5.885 13.078 ( 1.078 -3.816 -5.269) 6.595 13.260 ( -1.519 -2.000 -2.282) 3.393 13.397 ( 3.010 -0.539 -0.118) 3.060 13.459 ( -0.429 -3.978 4.052) 5.695 13.691 ( 2.683 2.508 3.041) 4.768 13.783 ( 1.820 3.335 -0.454) 3.826 13.841 ( 1.217 -2.037 -0.791) 2.501 13.878 ( 8.197 0.438 0.344) 8.216 14.233 ( 0.713 0.307 -1.466) 1.659 14.341 ( -0.170 -5.290 -2.017) 5.665 14.693 ( -2.620 2.161 -0.425) 3.423 14.879 ( -2.929 -2.795 6.202) 7.406 15.017 ( -1.104 8.422 -2.543) 8.866 15.168 ( 4.795 0.397 -8.705) 9.946 15.249 ( -3.375 0.433 -4.178) 5.388 15.385 ( 3.362 -4.090 1.892) 5.622 15.508 ( 2.006 -1.348 7.865) 8.228 15.562 ( -4.134 1.425 -4.126) 6.012 15.862 ( 9.739 0.738 -1.351) 9.860 15.916 ( 6.692 -2.763 0.163) 7.242 15.943 ( 5.927 1.062 -0.600) 6.051 16.028 ( 5.773 -1.816 -2.396) 6.509 16.125 ( 7.101 7.449 6.198) 12.013 16.484 ( 6.639 -7.094 0.890) 9.757 16.860 ( 1.232 2.230 2.949) 3.898 16.951 ( 1.479 0.187 6.257) 6.432 17.210 ( 0.722 -0.152 -0.864) 1.136 17.263 ( 1.644 -2.153 3.951) 4.790 17.598 ( 1.735 1.809 -6.444) 6.914 17.645 ( 3.072 -2.277 -3.348) 5.082 17.695 ( 2.321 0.729 -5.080) 5.632 17.771 ( 7.700 -0.344 -5.646) 9.554 17.899 ( 1.824 -2.011 -4.860) 5.567 17.931 ( 1.947 3.417 -1.529) 4.219 18.004 ( -2.152 -0.672 3.280) 3.980 18.149 ( 3.229 -2.727 6.085) 7.409 18.270 ( 3.913 1.721 3.591) 5.583 18.314 ( 0.044 0.285 4.849) 4.857 18.462 ( 2.861 2.461 -1.305) 3.994 18.568 ( 4.228 -1.074 1.233) 4.534 18.678 ( 5.778 -0.458 -4.508) 7.343 18.729 ( 4.669 -2.883 -2.533) 6.044 19.174 ( 0.466 2.370 -1.183) 2.690 19.261 ( 1.622 -1.255 1.022) 2.292 22.027 ( 0.797 2.854 0.071) 2.964 22.058 ( 0.957 2.684 -0.003) 2.850 22.148 ( 1.816 -2.440 1.088) 3.231 22.197 ( 2.560 -2.011 -3.073) 4.476 22.599 ( -0.684 0.194 -0.552) 0.900 22.606 ( -0.726 -0.101 -2.248) 2.364 22.672 ( 1.652 1.171 0.650) 2.126 22.730 ( 1.896 -1.026 2.697) 3.452 27.240 ( -0.745 -1.185 -0.092) 1.402 27.252 ( -0.780 -1.677 0.181) 1.858 27.345 ( -2.244 1.818 0.586) 2.947 27.369 ( -2.152 1.176 0.855) 2.597 27.662 ( -0.520 0.381 -0.306) 0.714 27.679 ( -0.508 -0.119 -1.973) 2.041 27.716 ( -0.820 0.445 1.366) 1.654 27.738 ( -0.409 -0.344 0.876) 1.026 35.705 ( -3.311 3.333 1.213) 4.852 35.732 ( -3.372 3.531 3.341) 5.916 35.962 ( -8.073 -4.229 4.422) 10.130 36.142 ( 1.706 -12.697 2.196) 12.998 36.593 ( -1.466 5.504 0.480) 5.716 36.748 ( -1.724 2.853 6.281) 7.111 37.261 ( 7.457 10.115 -5.328) 13.650 37.513 ( 2.915 -2.361 0.532) 3.789 37.825 ( -4.445 0.209 1.895) 4.837 38.204 ( -5.198 3.993 -6.376) 9.144 38.467 ( -4.059 -18.068 -2.296) 18.660 38.629 ( -6.867 -11.770 -6.364) 15.039 38.875 ( -11.437 11.390 9.776) 18.870 39.338 ( -10.948 -7.004 14.424) 19.416 39.829 ( -4.940 29.147 -4.320) 29.877 40.888 ( 4.557 -17.746 -7.743) 19.891 ======================= Grid point 75 (39/84) ======================= q-point: (-0.18 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -28.850 13.824 13.363) 34.670 1.845 ( -33.204 7.198 18.868) 38.863 2.156 ( -6.538 -1.758 -3.393) 7.573 2.609 ( -6.285 -13.312 5.057) 15.566 2.721 ( 1.359 -7.797 2.389) 8.267 2.912 ( -9.533 -0.147 1.422) 9.639 3.104 ( -7.674 -12.317 -3.488) 14.925 3.257 ( -7.851 -6.395 2.111) 10.344 3.375 ( -32.293 19.208 13.377) 39.884 3.526 ( -9.444 6.474 -10.056) 15.239 3.706 ( -2.764 4.336 -16.038) 16.842 3.830 ( 2.588 -5.124 -4.150) 7.084 3.916 ( 0.696 -0.279 -9.326) 9.356 4.028 ( 0.058 12.070 -1.748) 12.196 4.064 ( -0.697 3.072 3.206) 4.495 4.220 ( -5.473 5.861 -5.584) 9.772 4.469 ( -6.468 -5.829 2.752) 9.131 4.505 ( 3.137 9.505 -7.199) 12.329 4.616 ( 3.229 -4.516 2.311) 6.013 4.741 ( -7.998 -6.489 5.681) 11.762 4.828 ( -4.425 -5.776 2.403) 7.663 4.855 ( 4.252 0.185 -0.019) 4.256 4.905 ( 1.146 -1.910 5.502) 5.936 5.037 ( -1.264 -0.824 4.254) 4.514 5.155 ( -1.164 0.458 1.565) 2.004 5.257 ( 2.867 0.484 6.555) 7.171 5.292 ( -0.268 3.416 6.537) 7.380 5.395 ( 0.828 -1.831 4.780) 5.185 5.475 ( 3.780 -3.662 1.948) 5.611 5.486 ( -6.441 -1.034 2.610) 7.026 5.658 ( -3.188 0.855 -0.061) 3.301 5.692 ( -5.967 -8.943 3.912) 11.441 5.735 ( -1.220 4.114 0.248) 4.299 5.864 ( -3.876 -5.411 -1.054) 6.738 5.902 ( -3.703 -2.208 4.961) 6.572 6.002 ( -7.883 -5.393 -3.894) 10.314 6.073 ( 0.552 1.877 2.818) 3.430 6.130 ( 0.180 3.621 0.339) 3.641 6.178 ( 1.309 1.346 -1.663) 2.508 6.341 ( 0.152 -2.022 0.506) 2.090 6.436 ( -6.515 -4.023 -5.780) 9.593 6.570 ( 1.818 -6.008 -1.574) 6.471 6.633 ( -5.670 8.420 2.950) 10.571 6.737 ( -5.340 1.623 -0.216) 5.586 6.791 ( -4.365 -0.358 -0.730) 4.440 6.959 ( -1.966 1.484 -3.547) 4.318 7.017 ( 5.155 -2.739 -10.343) 11.876 7.117 ( 0.877 1.446 -0.905) 1.918 7.255 ( 5.738 6.832 -1.976) 9.139 7.294 ( -1.678 -0.856 -0.750) 2.027 7.336 ( -2.376 -7.960 -1.355) 8.417 7.491 ( 3.363 -1.274 -6.788) 7.681 7.556 ( 2.819 2.426 3.119) 4.854 7.651 ( 3.693 -0.998 -4.167) 5.656 7.743 ( 0.837 -1.192 0.895) 1.710 7.792 ( 4.608 -1.191 -4.902) 6.832 7.871 ( -5.223 -3.162 0.226) 6.110 7.941 ( 6.943 2.574 -2.675) 7.873 8.068 ( 0.536 7.095 2.262) 7.466 8.266 ( -4.790 8.997 0.260) 10.196 8.323 ( 1.499 5.425 0.360) 5.640 8.507 ( 0.173 -2.480 8.845) 9.188 8.552 ( 4.779 2.740 -3.273) 6.408 8.681 ( 3.553 -3.040 -0.711) 4.730 8.768 ( -4.604 2.936 10.705) 12.017 8.817 ( -2.083 -10.843 1.771) 11.183 8.953 ( -0.031 -3.706 -4.629) 5.930 8.985 ( -1.051 0.098 1.025) 1.472 9.206 ( -0.921 2.565 -0.838) 2.852 9.238 ( 0.414 1.989 0.904) 2.223 9.416 ( 1.347 1.474 -2.167) 2.946 9.555 ( -1.198 -2.460 3.708) 4.608 9.689 ( 2.808 3.134 -3.494) 5.469 9.741 ( 4.800 2.779 -1.109) 5.656 9.862 ( 3.031 -0.559 -0.585) 3.137 10.032 ( 3.395 -3.734 4.300) 6.631 11.079 ( -8.954 1.768 1.244) 9.211 11.179 ( -5.685 -2.725 4.188) 7.569 11.290 ( -4.753 1.117 1.602) 5.139 11.393 ( -2.503 -2.831 2.071) 4.309 11.527 ( 2.348 0.223 -1.597) 2.848 11.623 ( 2.505 -3.666 1.524) 4.694 11.852 ( -6.472 0.036 -6.152) 8.930 11.869 ( -2.021 0.481 -2.498) 3.249 11.975 ( 1.629 5.124 1.461) 5.571 12.187 ( 1.431 -2.704 2.625) 4.031 12.246 ( -0.709 1.546 -2.160) 2.749 12.287 ( -0.035 0.171 -0.400) 0.436 12.735 ( -1.859 0.345 1.284) 2.286 12.758 ( 0.335 -0.262 0.486) 0.646 12.910 ( -3.069 1.437 -1.076) 3.556 13.015 ( 0.902 5.434 0.543) 5.535 13.058 ( 0.646 -4.381 -3.300) 5.523 13.225 ( -1.527 -0.078 -0.992) 1.823 13.386 ( -2.087 0.357 -1.119) 2.395 13.427 ( -2.622 -1.180 2.600) 3.877 13.740 ( 1.243 5.277 4.437) 7.005 13.893 ( 7.207 -0.299 0.875) 7.266 13.925 ( 7.560 3.545 0.331) 8.357 14.057 ( 8.173 -3.967 -0.327) 9.091 14.253 ( 0.860 -0.621 1.262) 1.649 14.332 ( 1.034 -3.747 -0.630) 3.938 14.628 ( -3.557 1.761 -0.882) 4.066 14.830 ( -4.355 -2.044 2.877) 5.605 14.967 ( -4.606 5.935 -2.316) 7.861 15.132 ( -4.877 0.031 -2.286) 5.386 15.179 ( 1.702 0.541 -9.046) 9.221 15.423 ( -5.111 5.603 4.098) 8.620 15.466 ( 4.270 -4.087 2.467) 6.405 15.674 ( 8.805 -2.764 -0.710) 9.256 15.935 ( 0.274 0.355 -2.094) 2.141 16.037 ( 7.674 -0.647 2.108) 7.985 16.073 ( 1.762 -1.787 2.569) 3.591 16.096 ( 6.154 -1.256 -10.217) 11.993 16.307 ( 8.108 6.280 4.442) 11.177 16.607 ( 5.303 -7.392 1.678) 9.251 16.900 ( 2.150 2.345 -0.409) 3.207 17.041 ( 5.254 2.227 5.064) 7.629 17.208 ( -0.795 -2.620 -2.781) 3.903 17.318 ( 2.052 -2.555 3.700) 4.942 17.592 ( 1.447 -0.007 -3.807) 4.073 17.631 ( -1.870 -3.207 -5.097) 6.305 17.718 ( 1.427 3.139 -5.161) 6.207 17.823 ( 1.414 -0.112 -10.387) 10.483 17.876 ( 0.087 0.955 -4.862) 4.955 17.980 ( 2.319 -1.685 -1.018) 3.042 18.030 ( 2.799 3.908 6.154) 7.809 18.242 ( 1.293 -4.869 8.765) 10.110 18.360 ( 3.191 -0.436 3.029) 4.422 18.378 ( 4.369 -0.281 6.361) 7.722 18.519 ( 5.137 3.376 -0.447) 6.163 18.689 ( 7.883 0.045 0.371) 7.892 18.773 ( 6.129 -0.198 -4.049) 7.349 18.806 ( 5.664 -3.973 -3.001) 7.541 19.188 ( 1.568 2.878 -0.559) 3.325 19.278 ( -0.805 -1.428 1.775) 2.416 22.047 ( 1.029 2.860 0.498) 3.081 22.080 ( 2.080 4.704 -0.586) 5.177 22.176 ( 0.778 -2.870 -1.436) 3.302 22.228 ( 2.425 -1.119 -2.125) 3.413 22.580 ( -0.657 0.417 -1.279) 1.497 22.592 ( -0.207 0.013 0.464) 0.508 22.702 ( 1.279 1.148 0.085) 1.721 22.771 ( 0.904 -1.284 2.339) 2.817 27.225 ( -0.604 -0.623 -0.622) 1.068 27.238 ( -0.692 -1.120 0.147) 1.325 27.304 ( -2.363 1.408 0.386) 2.777 27.329 ( -2.709 0.442 1.196) 2.994 27.643 ( -1.184 0.181 -0.882) 1.487 27.649 ( -1.544 -0.024 -1.680) 2.282 27.719 ( 0.230 0.409 1.809) 1.869 27.741 ( -0.114 -0.310 1.988) 2.015 35.649 ( -2.559 1.288 0.833) 2.983 35.705 ( -1.777 2.425 1.267) 3.263 35.848 ( -6.016 -0.592 5.303) 8.042 36.172 ( -0.095 -13.133 1.995) 13.284 36.586 ( -0.522 5.190 4.347) 6.790 36.782 ( 2.117 -0.153 6.096) 6.455 37.327 ( 1.497 11.493 -1.124) 11.644 37.558 ( 2.270 1.817 1.174) 3.136 37.752 ( -3.854 -4.620 -0.004) 6.017 38.060 ( -6.604 6.069 -5.913) 10.743 38.323 ( -9.194 -12.968 -8.618) 18.082 38.429 ( -10.689 -18.529 -0.304) 21.393 38.799 ( -2.856 12.240 12.849) 17.974 39.312 ( -1.238 -7.817 17.512) 19.217 39.704 ( -4.650 29.124 -5.849) 30.068 40.836 ( -5.638 -23.975 -18.286) 30.675 ======================= Grid point 76 (40/84) ======================= q-point: (-0.09 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -23.924 17.056 21.271) 36.272 1.367 ( -28.909 17.933 23.279) 41.222 2.014 ( -8.728 -0.250 3.310) 9.338 2.439 ( -28.470 20.749 18.915) 39.985 2.578 ( -6.599 -13.722 9.615) 18.008 2.780 ( 3.283 -8.571 0.976) 9.230 2.994 ( -1.810 -17.179 -7.108) 18.679 3.100 ( -1.955 -0.544 -3.582) 4.116 3.132 ( -5.662 -3.789 0.658) 6.845 3.425 ( -0.680 3.015 -4.427) 5.399 3.580 ( 0.054 1.996 -19.372) 19.475 3.737 ( -4.358 -4.262 -8.584) 10.529 3.846 ( -4.927 -7.773 -10.108) 13.670 4.027 ( -0.916 7.808 1.371) 7.980 4.132 ( 2.906 10.151 1.953) 10.738 4.167 ( 4.369 4.162 -2.380) 6.487 4.355 ( -7.728 -2.611 4.663) 9.396 4.507 ( -4.929 -2.063 7.055) 8.850 4.614 ( -0.480 6.640 -4.031) 7.782 4.680 ( -1.900 -3.311 3.900) 5.458 4.743 ( -1.890 -0.664 0.501) 2.065 4.841 ( -2.818 -1.145 -0.243) 3.052 4.964 ( -3.072 -1.090 7.867) 8.516 5.057 ( 0.650 -3.482 5.740) 6.746 5.170 ( -9.680 -0.225 4.833) 10.822 5.230 ( 4.258 -4.205 1.108) 6.086 5.319 ( -3.830 5.959 1.514) 7.243 5.425 ( 4.084 -2.652 1.543) 5.108 5.457 ( -1.097 -6.739 4.001) 7.914 5.554 ( -6.086 -10.623 -3.701) 12.790 5.619 ( -2.234 1.026 -1.756) 3.021 5.621 ( 4.210 -4.097 2.690) 6.461 5.676 ( -0.211 -2.896 3.599) 4.624 5.794 ( -2.742 2.017 3.193) 4.668 5.871 ( 3.830 -2.132 -2.809) 5.206 5.974 ( 0.451 -3.324 6.555) 7.363 6.078 ( -1.738 -1.614 2.559) 3.489 6.144 ( 3.316 0.746 3.336) 4.763 6.235 ( 3.852 -1.339 0.650) 4.130 6.279 ( -6.582 -2.229 -5.752) 9.021 6.412 ( 3.309 4.169 5.813) 7.882 6.544 ( -5.001 9.068 5.382) 11.671 6.626 ( -2.757 1.056 1.357) 3.249 6.657 ( 1.476 -3.072 -2.973) 4.523 6.720 ( 1.308 9.111 -0.934) 9.252 6.924 ( 0.202 -3.843 -1.208) 4.034 7.056 ( 1.147 -2.431 -11.520) 11.830 7.177 ( 0.969 1.658 -0.242) 1.935 7.189 ( 1.062 -2.292 -2.602) 3.626 7.309 ( 0.175 -3.886 1.498) 4.169 7.350 ( 4.634 5.274 -5.680) 9.030 7.527 ( 4.041 1.472 -7.122) 8.320 7.589 ( -1.603 5.154 1.259) 5.542 7.662 ( -1.815 -1.582 -4.026) 4.691 7.760 ( 0.738 1.749 0.567) 1.981 7.791 ( -2.049 -2.363 1.171) 3.339 7.834 ( 1.548 -6.212 -3.274) 7.191 7.982 ( 0.146 2.014 -5.313) 5.683 8.119 ( 4.517 5.804 0.499) 7.372 8.227 ( -0.637 7.454 1.697) 7.671 8.336 ( -1.036 1.130 1.719) 2.304 8.522 ( -1.392 -3.159 3.353) 4.813 8.592 ( -0.597 -3.089 1.314) 3.409 8.728 ( -1.865 1.283 4.675) 5.194 8.772 ( 1.717 -0.215 3.096) 3.547 8.838 ( 2.178 -9.328 4.307) 10.503 8.923 ( -0.088 -2.326 -4.248) 4.844 8.975 ( -0.169 -1.262 0.512) 1.372 9.192 ( -0.259 4.822 0.011) 4.828 9.262 ( 1.253 4.656 1.654) 5.097 9.432 ( 1.481 2.932 -0.815) 3.385 9.536 ( -2.614 -0.841 1.997) 3.395 9.746 ( 4.427 3.082 -2.082) 5.782 9.817 ( 4.084 -0.416 -2.075) 4.600 9.908 ( 1.427 -1.008 -1.786) 2.498 10.096 ( 1.262 -4.517 2.035) 5.112 10.880 ( -10.252 1.705 0.110) 10.393 11.014 ( -12.281 -6.530 2.514) 14.135 11.276 ( -0.678 0.974 3.417) 3.618 11.386 ( -0.962 -3.723 2.989) 4.870 11.597 ( 2.712 1.640 1.786) 3.637 11.655 ( 1.261 -0.929 0.157) 1.575 11.733 ( -0.007 1.691 -3.557) 3.939 11.851 ( 1.446 -3.575 -0.880) 3.955 12.036 ( 2.255 5.480 2.156) 6.306 12.203 ( -1.207 -1.205 0.474) 1.771 12.219 ( -0.757 1.220 -3.123) 3.437 12.270 ( -0.565 -0.263 -1.919) 2.018 12.713 ( -0.867 0.745 0.268) 1.175 12.773 ( 0.667 -0.084 0.179) 0.696 12.823 ( -3.494 2.788 -4.004) 6.001 13.008 ( -1.349 1.374 -1.355) 2.354 13.083 ( 0.772 -2.542 3.035) 4.033 13.182 ( -1.776 -1.465 -0.203) 2.311 13.359 ( 0.541 0.478 -0.023) 0.722 13.453 ( 3.698 -2.458 1.332) 4.636 13.796 ( 2.955 6.523 3.104) 7.806 14.014 ( 4.143 -1.838 2.858) 5.358 14.086 ( 7.357 3.018 0.316) 7.958 14.112 ( -0.014 -1.633 -1.329) 2.105 14.276 ( -0.016 -1.633 4.079) 4.393 14.375 ( 2.157 -4.246 -0.698) 4.813 14.576 ( -0.379 2.421 -1.787) 3.033 14.759 ( -6.163 -5.002 2.019) 8.191 14.822 ( -4.749 8.745 -7.313) 12.349 15.024 ( -5.480 1.807 -1.351) 5.926 15.183 ( -0.633 3.405 0.416) 3.488 15.449 ( 6.853 8.270 1.452) 10.838 15.559 ( 3.952 -7.130 2.218) 8.448 15.827 ( 7.387 -4.889 -1.808) 9.041 15.907 ( -1.365 1.042 -11.612) 11.738 15.993 ( -4.235 0.753 -8.434) 9.467 16.118 ( 1.006 -0.596 -1.135) 1.630 16.185 ( 3.624 0.820 1.661) 4.070 16.454 ( 5.207 4.700 4.737) 8.464 16.701 ( 4.371 -6.738 2.138) 8.312 16.921 ( 1.188 0.889 -1.645) 2.215 17.119 ( -5.614 -8.200 -4.280) 10.820 17.185 ( 6.238 6.787 2.248) 9.488 17.380 ( 2.510 0.576 0.864) 2.716 17.521 ( -6.876 -1.203 -4.553) 8.334 17.624 ( 1.855 -6.163 0.521) 6.457 17.682 ( 0.153 3.157 -4.596) 5.578 17.807 ( 1.797 -0.865 -6.517) 6.815 17.846 ( 0.036 3.634 -5.848) 6.885 17.984 ( -0.385 -1.863 -3.398) 3.894 18.101 ( -0.187 3.119 7.421) 8.052 18.258 ( -4.740 -1.707 11.985) 13.001 18.454 ( 5.012 0.586 4.098) 6.501 18.534 ( 8.423 -2.202 1.576) 8.848 18.628 ( 5.926 2.755 -0.331) 6.543 18.820 ( 4.865 -4.388 -1.911) 6.825 18.850 ( 4.427 1.427 -1.393) 4.855 18.921 ( 7.054 -1.834 -1.238) 7.393 19.214 ( 0.723 1.779 -0.692) 2.041 19.243 ( -4.231 -0.222 2.774) 5.064 22.056 ( -0.092 2.065 -0.119) 2.071 22.119 ( 0.754 4.791 -6.878) 8.416 22.202 ( 6.106 0.497 3.945) 7.287 22.264 ( 1.685 -0.857 0.417) 1.936 22.576 ( 0.675 0.841 0.883) 1.394 22.599 ( 0.203 0.014 1.623) 1.636 22.718 ( 0.554 1.025 -0.506) 1.270 22.785 ( -0.379 -1.131 1.147) 1.655 27.214 ( -0.528 -0.127 0.212) 0.583 27.231 ( -0.044 -0.404 0.030) 0.408 27.265 ( -1.578 0.674 -0.292) 1.740 27.285 ( -2.419 -0.042 0.496) 2.470 27.611 ( -1.420 0.046 -1.364) 1.969 27.614 ( -1.297 -0.055 -1.236) 1.793 27.742 ( 0.886 0.218 2.695) 2.846 27.756 ( 0.390 -0.054 2.925) 2.952 35.617 ( -2.275 -0.005 1.269) 2.605 35.671 ( -1.195 -2.141 0.519) 2.506 35.826 ( 0.792 4.513 4.204) 6.219 36.150 ( -3.190 -9.793 1.389) 10.393 36.606 ( -2.458 2.340 10.812) 11.332 36.893 ( 6.710 -5.192 3.054) 9.017 37.335 ( 0.446 9.532 2.090) 9.769 37.620 ( 3.274 5.185 1.916) 6.425 37.696 ( -1.583 -6.145 -0.916) 6.411 37.917 ( -4.926 4.283 -4.707) 8.047 38.096 ( -6.936 -5.014 -9.305) 12.642 38.237 ( -14.797 -27.471 7.159) 32.013 38.830 ( -3.242 13.115 5.268) 14.501 39.411 ( -0.058 -9.349 10.157) 13.805 39.698 ( 10.759 19.178 -0.408) 21.994 40.341 ( -35.016 -16.840 -35.483) 52.619 ======================= Grid point 77 (41/84) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -2.933 -25.111 9.578) 27.035 1.555 ( -2.933 25.111 9.578) 27.035 1.960 ( 7.922 -35.493 6.466) 36.937 1.960 ( 7.922 35.493 6.466) 36.937 2.619 ( -4.711 -5.739 -0.861) 7.475 2.619 ( -4.711 5.739 -0.861) 7.475 2.894 ( 0.985 -8.041 -0.487) 8.115 2.894 ( 0.985 8.041 -0.487) 8.115 3.365 ( 0.945 -14.101 -4.199) 14.743 3.365 ( 0.945 14.101 -4.199) 14.743 3.582 ( 3.637 -13.315 4.090) 14.396 3.582 ( 3.637 13.315 4.090) 14.396 3.741 ( 2.753 -12.195 -9.673) 15.807 3.741 ( 2.753 12.195 -9.673) 15.807 4.189 ( -5.737 -3.772 4.895) 8.432 4.189 ( -5.737 3.772 4.895) 8.432 4.407 ( -1.519 -8.581 3.781) 9.500 4.407 ( -1.519 8.581 3.781) 9.500 4.696 ( -3.854 -5.252 4.945) 8.178 4.696 ( -3.854 5.252 4.945) 8.178 4.769 ( -4.009 -3.687 4.072) 6.801 4.769 ( -4.009 3.687 4.072) 6.801 4.921 ( -2.878 -15.668 -2.280) 16.093 4.921 ( -2.878 15.668 -2.280) 16.093 5.090 ( -1.533 -2.814 -3.041) 4.418 5.090 ( -1.533 2.814 -3.041) 4.418 5.238 ( -5.921 -1.606 1.834) 6.403 5.238 ( -5.921 1.606 1.834) 6.403 5.487 ( 3.586 -3.892 1.847) 5.605 5.487 ( 3.586 3.892 1.847) 5.605 5.625 ( 3.837 -4.669 -0.734) 6.088 5.625 ( 3.837 4.669 -0.734) 6.088 5.746 ( 1.646 -1.846 0.668) 2.562 5.746 ( 1.646 1.846 0.668) 2.562 5.958 ( -4.118 -5.986 4.712) 8.660 5.958 ( -4.118 5.986 4.712) 8.660 6.173 ( 4.686 -5.539 4.130) 8.348 6.173 ( 4.686 5.539 4.130) 8.348 6.330 ( 5.171 -3.824 4.226) 7.696 6.330 ( 5.171 3.824 4.226) 7.696 6.586 ( -3.483 -2.869 3.912) 5.972 6.586 ( -3.483 2.869 3.912) 5.972 6.643 ( 4.654 -2.026 -1.798) 5.385 6.643 ( 4.654 2.026 -1.798) 5.385 6.859 ( 2.815 -3.058 1.134) 4.308 6.859 ( 2.815 3.058 1.134) 4.308 7.095 ( 5.234 -6.823 -4.974) 9.934 7.095 ( 5.234 6.823 -4.974) 9.934 7.255 ( 3.192 -3.633 -8.011) 9.357 7.255 ( 3.192 3.633 -8.011) 9.357 7.472 ( -2.122 -6.824 -7.286) 10.206 7.472 ( -2.122 6.824 -7.286) 10.206 7.584 ( -0.458 -1.524 -3.829) 4.146 7.584 ( -0.458 1.524 -3.829) 4.146 7.717 ( -5.440 -2.874 0.805) 6.205 7.717 ( -5.440 2.874 0.805) 6.205 7.899 ( 1.331 -5.472 1.042) 5.727 7.899 ( 1.331 5.472 1.042) 5.727 8.263 ( -2.344 -4.875 2.301) 5.879 8.263 ( -2.344 4.875 2.301) 5.879 8.372 ( -1.714 -4.605 -2.237) 5.399 8.372 ( -1.714 4.605 -2.237) 5.399 8.645 ( 1.725 -8.964 1.570) 9.262 8.645 ( 1.725 8.964 1.570) 9.262 8.767 ( -2.992 -2.845 4.495) 6.103 8.767 ( -2.992 2.845 4.495) 6.103 8.988 ( 2.743 -2.454 2.001) 4.189 8.988 ( 2.743 2.454 2.001) 4.189 9.256 ( -2.198 -2.410 0.606) 3.317 9.256 ( -2.198 2.410 0.606) 3.317 9.515 ( 0.370 -1.212 0.868) 1.536 9.515 ( 0.370 1.212 0.868) 1.536 9.847 ( 2.749 -2.318 -1.741) 3.995 9.847 ( 2.749 2.318 -1.741) 3.995 9.958 ( -2.771 -5.511 -0.421) 6.183 9.958 ( -2.771 5.511 -0.421) 6.183 10.789 ( -1.797 -0.633 0.348) 1.937 10.789 ( -1.797 0.633 0.348) 1.937 11.314 ( -0.702 -2.372 3.378) 4.187 11.314 ( -0.702 2.372 3.378) 4.187 11.679 ( 0.587 -1.172 1.182) 1.765 11.679 ( 0.587 1.172 1.182) 1.765 11.827 ( 4.506 -1.389 2.129) 5.173 11.827 ( 4.506 1.389 2.129) 5.173 12.115 ( -3.127 -2.541 -0.675) 4.085 12.115 ( -3.127 2.541 -0.675) 4.085 12.229 ( -0.086 -1.804 -3.627) 4.052 12.229 ( -0.086 1.804 -3.627) 4.052 12.738 ( -0.659 -1.100 -1.027) 1.643 12.738 ( -0.659 1.100 -1.027) 1.643 12.925 ( 1.858 -6.004 -3.004) 6.966 12.925 ( 1.858 6.004 -3.004) 6.966 13.090 ( -0.924 -4.134 3.245) 5.336 13.090 ( -0.924 4.134 3.245) 5.336 13.428 ( 2.170 -3.633 1.099) 4.371 13.428 ( 2.170 3.633 1.099) 4.371 13.925 ( -2.899 -3.534 1.903) 4.951 13.925 ( -2.899 3.534 1.903) 4.951 14.148 ( -0.449 -1.459 0.604) 1.641 14.148 ( -0.449 1.459 0.604) 1.641 14.289 ( -1.217 -3.005 -1.256) 3.477 14.289 ( -1.217 3.005 -1.256) 3.477 14.574 ( -2.209 -0.714 -4.156) 4.760 14.574 ( -2.209 0.714 -4.156) 4.760 14.954 ( 1.915 -2.536 -2.337) 3.945 14.954 ( 1.915 2.536 -2.337) 3.945 15.330 ( -3.310 -10.879 0.610) 11.387 15.330 ( -3.310 10.879 0.610) 11.387 15.761 ( 2.369 -7.984 -0.666) 8.354 15.761 ( 2.369 7.984 -0.666) 8.354 15.948 ( 2.113 -1.441 -2.665) 3.694 15.948 ( 2.113 1.441 -2.665) 3.694 16.166 ( 2.410 -5.545 -6.460) 8.848 16.166 ( 2.410 5.545 -6.460) 8.848 16.643 ( 0.456 -6.032 2.203) 6.438 16.643 ( 0.456 6.032 2.203) 6.438 16.977 ( 3.329 -0.808 -0.344) 3.443 16.977 ( 3.329 0.808 -0.344) 3.443 17.270 ( -8.060 -3.680 -4.950) 10.149 17.270 ( -8.060 3.680 -4.950) 10.149 17.560 ( 5.528 -4.959 0.775) 7.467 17.560 ( 5.528 4.959 0.775) 7.467 17.752 ( 0.421 -2.220 -0.874) 2.423 17.752 ( 0.421 2.220 -0.874) 2.423 17.924 ( 2.113 -2.106 -5.217) 6.009 17.924 ( 2.113 2.106 -5.217) 6.009 18.180 ( -3.238 -3.351 10.848) 11.806 18.180 ( -3.238 3.351 10.848) 11.806 18.600 ( 1.765 -2.802 2.581) 4.199 18.600 ( 1.765 2.802 2.581) 4.199 18.773 ( 2.324 -4.674 -3.595) 6.339 18.773 ( 2.324 4.674 -3.595) 6.339 18.948 ( -0.041 -3.241 1.792) 3.703 18.948 ( -0.041 3.241 1.792) 3.703 19.176 ( -4.681 -0.744 0.756) 4.800 19.176 ( -4.681 0.744 0.756) 4.800 22.091 ( -0.734 -1.683 -1.555) 2.406 22.091 ( -0.734 1.683 -1.555) 2.406 22.300 ( 1.604 -3.400 -0.540) 3.798 22.300 ( 1.604 3.400 -0.540) 3.798 22.624 ( 1.104 -0.528 2.862) 3.113 22.624 ( 1.104 0.528 2.862) 3.113 22.751 ( 0.221 -1.445 -0.620) 1.587 22.751 ( 0.221 1.445 -0.620) 1.587 27.216 ( -0.879 -0.835 0.804) 1.455 27.216 ( -0.879 0.835 0.804) 1.455 27.263 ( 0.925 -0.209 -0.411) 1.034 27.263 ( 0.925 0.209 -0.411) 1.034 27.589 ( -0.312 -0.082 -1.021) 1.071 27.589 ( -0.312 0.082 -1.021) 1.071 27.783 ( 0.945 -0.203 3.222) 3.364 27.783 ( 0.945 0.203 3.222) 3.364 35.616 ( 0.374 -2.579 0.996) 2.790 35.616 ( 0.374 2.579 0.996) 2.790 35.982 ( 0.354 -4.232 3.251) 5.348 35.982 ( 0.354 4.232 3.251) 5.348 36.717 ( -6.516 -11.571 6.503) 14.786 36.717 ( -6.516 11.571 6.503) 14.786 37.478 ( -2.093 -3.183 2.246) 4.422 37.478 ( -2.093 3.183 2.246) 4.422 37.748 ( -7.274 -3.263 0.722) 8.005 37.748 ( -7.274 3.263 0.722) 8.005 37.993 ( 10.361 -4.361 -1.881) 11.398 37.993 ( 10.361 4.361 -1.881) 11.398 38.960 ( -13.461 -12.413 -8.860) 20.342 38.960 ( -13.461 12.413 -8.860) 20.342 39.970 ( 7.196 -8.707 -5.364) 12.505 39.970 ( 7.196 8.707 -5.364) 12.505 ======================= Grid point 79 (42/84) ======================= q-point: ( 0.09 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 8.362 -26.572 12.432) 30.505 1.663 ( 8.362 26.572 12.432) 30.505 2.239 ( 11.504 -30.187 11.383) 34.252 2.239 ( 11.504 30.187 11.383) 34.252 2.590 ( 5.260 -8.343 -3.752) 10.553 2.590 ( 5.260 8.343 -3.752) 10.553 2.967 ( 7.960 -3.255 -5.072) 9.985 2.967 ( 7.960 3.255 -5.072) 9.985 3.416 ( 7.168 -6.126 -9.784) 13.588 3.416 ( 7.168 6.126 -9.784) 13.588 3.710 ( 7.441 -6.988 -6.083) 11.882 3.710 ( 7.441 6.988 -6.083) 11.882 3.822 ( 8.699 -23.645 7.891) 26.401 3.822 ( 8.699 23.645 7.891) 26.401 4.160 ( 0.239 -5.223 4.563) 6.940 4.160 ( 0.239 5.223 4.563) 6.940 4.350 ( -3.696 -5.849 0.469) 6.935 4.350 ( -3.696 5.849 0.469) 6.935 4.654 ( -0.235 -2.167 2.067) 3.004 4.654 ( -0.235 2.167 2.067) 3.004 4.783 ( -0.307 -1.945 5.472) 5.815 4.783 ( -0.307 1.945 5.472) 5.815 4.880 ( 0.222 -4.238 -5.527) 6.968 4.880 ( 0.222 4.238 -5.527) 6.968 5.045 ( -2.510 -4.978 -0.640) 5.612 5.045 ( -2.510 4.978 -0.640) 5.612 5.192 ( 2.430 -2.785 4.321) 5.686 5.192 ( 2.430 2.785 4.321) 5.686 5.572 ( 2.792 -0.945 2.452) 3.835 5.572 ( 2.792 0.945 2.452) 3.835 5.671 ( -3.792 -2.191 -0.450) 4.403 5.671 ( -3.792 2.191 -0.450) 4.403 5.737 ( 3.383 -4.240 -0.051) 5.425 5.737 ( 3.383 4.240 -0.051) 5.425 5.931 ( -2.355 -3.409 5.097) 6.569 5.931 ( -2.355 3.409 5.097) 6.569 6.204 ( -1.767 -6.103 3.400) 7.206 6.204 ( -1.767 6.103 3.400) 7.206 6.358 ( -5.256 -3.674 5.519) 8.461 6.358 ( -5.256 3.674 5.519) 8.461 6.583 ( -1.452 -6.215 -0.525) 6.404 6.583 ( -1.452 6.215 -0.525) 6.404 6.728 ( 7.343 -7.398 0.445) 10.433 6.728 ( 7.343 7.398 0.445) 10.433 6.991 ( 6.138 -0.985 1.371) 6.366 6.991 ( 6.138 0.985 1.371) 6.366 7.133 ( 1.292 -0.590 -4.443) 4.665 7.133 ( 1.292 0.590 -4.443) 4.665 7.305 ( 9.232 -6.295 -12.676) 16.898 7.305 ( 9.232 6.295 -12.676) 16.898 7.387 ( -3.369 -1.754 -1.689) 4.157 7.387 ( -3.369 1.754 -1.689) 4.157 7.546 ( -2.229 -3.420 0.609) 4.127 7.546 ( -2.229 3.420 0.609) 4.127 7.634 ( -1.148 -6.127 -2.781) 6.825 7.634 ( -1.148 6.127 -2.781) 6.825 7.916 ( -1.751 -4.070 0.979) 4.537 7.916 ( -1.751 4.070 0.979) 4.537 8.213 ( -2.903 -5.746 -2.374) 6.862 8.213 ( -2.903 5.746 -2.374) 6.862 8.345 ( -1.115 -1.209 0.288) 1.670 8.345 ( -1.115 1.209 0.288) 1.670 8.659 ( -1.584 -2.934 2.563) 4.205 8.659 ( -1.584 2.934 2.563) 4.205 8.740 ( -1.267 -5.704 3.459) 6.790 8.740 ( -1.267 5.704 3.459) 6.790 9.028 ( 0.393 -3.291 2.421) 4.105 9.028 ( 0.393 3.291 2.421) 4.105 9.222 ( -1.223 -1.752 -0.502) 2.195 9.222 ( -1.223 1.752 -0.502) 2.195 9.516 ( -0.906 -4.053 1.328) 4.360 9.516 ( -0.906 4.053 1.328) 4.360 9.850 ( -3.441 -1.868 -2.603) 4.701 9.850 ( -3.441 1.868 -2.603) 4.701 9.896 ( -1.201 -2.759 0.643) 3.077 9.896 ( -1.201 2.759 0.643) 3.077 10.870 ( 9.516 -0.536 0.027) 9.531 10.870 ( 9.516 0.536 0.027) 9.531 11.342 ( 1.786 -0.907 3.881) 4.368 11.342 ( 1.786 0.907 3.881) 4.368 11.653 ( -3.823 -0.707 0.697) 3.949 11.653 ( -3.823 0.707 0.697) 3.949 11.902 ( 0.547 -1.073 0.680) 1.384 11.902 ( 0.547 1.073 0.680) 1.384 12.059 ( -1.312 -1.683 -0.596) 2.215 12.059 ( -1.312 1.683 -0.596) 2.215 12.233 ( 2.900 -1.339 -2.149) 3.850 12.233 ( 2.900 1.339 -2.149) 3.850 12.714 ( -1.010 -0.407 -1.167) 1.596 12.714 ( -1.010 0.407 -1.167) 1.596 12.940 ( 1.166 -6.399 -2.930) 7.134 12.940 ( 1.166 6.399 -2.930) 7.134 13.138 ( 4.010 -7.461 3.193) 9.052 13.138 ( 4.010 7.461 3.193) 9.052 13.459 ( -0.010 -5.634 0.815) 5.692 13.459 ( -0.010 5.634 0.815) 5.692 13.841 ( -6.019 -2.552 1.259) 6.658 13.841 ( -6.019 2.552 1.259) 6.658 14.066 ( -8.162 -1.798 -1.938) 8.579 14.066 ( -8.162 1.798 -1.938) 8.579 14.279 ( 1.977 -4.275 -0.220) 4.715 14.279 ( 1.977 4.275 -0.220) 4.715 14.567 ( 2.781 -1.540 -1.592) 3.555 14.567 ( 2.781 1.540 -1.592) 3.555 15.048 ( 8.593 -0.311 -0.953) 8.652 15.048 ( 8.593 0.311 -0.953) 8.652 15.258 ( -4.051 -9.857 -1.040) 10.708 15.258 ( -4.051 9.857 -1.040) 10.708 15.762 ( -0.263 -5.772 -2.300) 6.219 15.762 ( -0.263 5.772 -2.300) 6.219 15.914 ( -5.022 -2.176 0.326) 5.482 15.914 ( -5.022 2.176 0.326) 5.482 16.229 ( 5.611 -7.778 -3.140) 10.091 16.229 ( 5.611 7.778 -3.140) 10.091 16.603 ( -5.708 -6.058 3.437) 9.005 16.603 ( -5.708 6.058 3.437) 9.005 16.980 ( -6.428 -2.413 -5.213) 8.620 16.980 ( -6.428 2.413 -5.213) 8.620 17.144 ( -0.252 -5.419 0.128) 5.426 17.144 ( -0.252 5.419 0.128) 5.426 17.651 ( 4.903 -0.239 -5.026) 7.026 17.651 ( 4.903 0.239 -5.026) 7.026 17.749 ( -0.260 -0.675 0.184) 0.747 17.749 ( -0.260 0.675 0.184) 0.747 17.959 ( 3.467 -2.128 -3.098) 5.113 17.959 ( 3.467 2.128 -3.098) 5.113 18.193 ( -1.224 -2.471 8.545) 8.979 18.193 ( -1.224 2.471 8.545) 8.979 18.535 ( -10.439 -2.996 3.411) 11.383 18.535 ( -10.439 2.996 3.411) 11.383 18.756 ( -2.575 -4.802 -1.640) 5.690 18.756 ( -2.575 4.802 -1.640) 5.690 18.923 ( -2.748 -3.741 1.795) 4.976 18.923 ( -2.748 3.741 1.795) 4.976 19.103 ( -2.304 -1.660 -1.550) 3.235 19.103 ( -2.304 1.660 -1.550) 3.235 22.072 ( -0.515 -1.485 -1.002) 1.864 22.072 ( -0.515 1.485 -1.002) 1.864 22.287 ( -2.325 -5.062 -0.728) 5.617 22.287 ( -2.325 5.062 -0.728) 5.617 22.646 ( -0.111 -1.478 1.676) 2.237 22.646 ( -0.111 1.478 1.676) 2.237 22.754 ( -0.061 -1.951 0.268) 1.970 22.754 ( -0.061 1.951 0.268) 1.970 27.201 ( -0.713 -0.747 -0.047) 1.033 27.201 ( -0.713 0.747 -0.047) 1.033 27.298 ( 2.369 -0.159 0.429) 2.413 27.298 ( 2.369 0.159 0.429) 2.413 27.591 ( 0.928 -0.268 -0.907) 1.325 27.591 ( 0.928 0.268 -0.907) 1.325 27.812 ( 0.284 -0.311 2.855) 2.886 27.812 ( 0.284 0.311 2.855) 2.886 35.652 ( 2.756 -4.000 1.267) 5.020 35.652 ( 2.756 4.000 1.267) 5.020 35.995 ( -1.404 -1.890 4.490) 5.069 35.995 ( -1.404 1.890 4.490) 5.069 36.591 ( -7.665 -8.778 3.790) 12.255 36.591 ( -7.665 8.778 3.790) 12.255 37.504 ( 3.043 -8.066 1.083) 8.689 37.504 ( 3.043 8.066 1.083) 8.689 37.655 ( -0.868 -6.337 -2.300) 6.797 37.655 ( -0.868 6.337 -2.300) 6.797 38.246 ( 13.880 -5.822 -0.981) 15.084 38.246 ( 13.880 5.822 -0.981) 15.084 38.763 ( -1.488 -5.844 -1.405) 6.192 38.763 ( -1.488 5.844 -1.405) 6.192 40.100 ( 8.537 -19.180 -8.332) 22.586 40.100 ( 8.537 19.180 -8.332) 22.586 ======================= Grid point 81 (43/84) ======================= q-point: ( 0.18 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 15.174 -19.250 11.786) 27.198 1.959 ( 15.174 19.250 11.786) 27.198 2.410 ( 3.315 -13.037 11.887) 17.952 2.410 ( 3.315 13.037 11.887) 17.952 2.741 ( 8.624 -10.136 -3.973) 13.889 2.741 ( 8.624 10.136 -3.973) 13.889 3.109 ( 8.502 -9.543 -0.637) 12.797 3.109 ( 8.502 9.543 -0.637) 12.797 3.528 ( 12.812 -4.779 -16.735) 21.611 3.528 ( 12.812 4.779 -16.735) 21.611 3.814 ( 7.770 -4.352 -7.269) 11.496 3.814 ( 7.770 4.352 -7.269) 11.496 4.076 ( 8.647 -17.610 9.393) 21.751 4.076 ( 8.647 17.610 9.393) 21.751 4.227 ( 6.950 -1.052 0.515) 7.048 4.227 ( 6.950 1.052 0.515) 7.048 4.293 ( -3.011 -7.396 -0.115) 7.986 4.293 ( -3.011 7.396 -0.115) 7.986 4.678 ( 0.556 -2.553 3.230) 4.155 4.678 ( 0.556 2.553 3.230) 4.155 4.776 ( 1.223 -3.953 -3.483) 5.409 4.776 ( 1.223 3.953 -3.483) 5.409 4.932 ( 3.886 -0.229 1.864) 4.317 4.932 ( 3.886 0.229 1.864) 4.317 5.043 ( 3.681 -1.273 1.985) 4.372 5.043 ( 3.681 1.273 1.985) 4.372 5.318 ( 3.928 -5.677 9.965) 12.122 5.318 ( 3.928 5.677 9.965) 12.122 5.553 ( -3.749 -3.845 4.147) 6.785 5.553 ( -3.749 3.845 4.147) 6.785 5.644 ( 0.904 -2.142 -0.971) 2.519 5.644 ( 0.904 2.142 -0.971) 2.519 5.793 ( 2.064 -5.207 -2.763) 6.245 5.793 ( 2.064 5.207 -2.763) 6.245 5.940 ( 3.302 -3.086 2.972) 5.409 5.940 ( 3.302 3.086 2.972) 5.409 6.179 ( -4.505 -0.489 4.610) 6.464 6.179 ( -4.505 0.489 4.610) 6.464 6.292 ( -0.311 -4.002 -2.923) 4.966 6.292 ( -0.311 4.002 -2.923) 4.966 6.480 ( -8.016 -2.854 1.444) 8.631 6.480 ( -8.016 2.854 1.444) 8.631 6.829 ( 1.212 -8.651 -0.732) 8.766 6.829 ( 1.212 8.651 -0.732) 8.766 7.042 ( 1.836 -2.506 -2.097) 3.748 7.042 ( 1.836 2.506 -2.097) 3.748 7.160 ( 2.091 -2.088 -1.548) 3.336 7.160 ( 2.091 2.088 -1.548) 3.336 7.271 ( -3.875 -0.933 -2.167) 4.537 7.271 ( -3.875 0.933 -2.167) 4.537 7.477 ( 10.004 -8.106 -6.300) 14.335 7.477 ( 10.004 8.106 -6.300) 14.335 7.560 ( 2.383 -1.440 -0.130) 2.787 7.560 ( 2.383 1.440 -0.130) 2.787 7.638 ( 3.441 -5.671 -4.069) 7.782 7.638 ( 3.441 5.671 -4.069) 7.782 7.840 ( -6.638 -5.553 3.702) 9.413 7.840 ( -6.638 5.553 3.702) 9.413 8.137 ( -2.915 -5.189 -3.872) 7.101 8.137 ( -2.915 5.189 -3.872) 7.101 8.312 ( -3.054 -1.065 0.570) 3.284 8.312 ( -3.054 1.065 0.570) 3.284 8.641 ( -1.809 -5.621 4.881) 7.661 8.641 ( -1.809 5.621 4.881) 7.661 8.771 ( 4.027 -12.412 0.161) 13.050 8.771 ( 4.027 12.412 0.161) 13.050 9.035 ( -0.907 -1.076 1.785) 2.273 9.035 ( -0.907 1.076 1.785) 2.273 9.204 ( -0.102 -0.203 -1.928) 1.941 9.204 ( -0.102 0.203 -1.928) 1.941 9.493 ( -2.569 -7.476 1.406) 8.029 9.493 ( -2.569 7.476 1.406) 8.029 9.755 ( -3.803 -2.958 -1.336) 5.000 9.755 ( -3.803 2.958 -1.336) 5.000 9.888 ( -1.066 -5.056 1.115) 5.286 9.888 ( -1.066 5.056 1.115) 5.286 11.086 ( 11.643 -0.583 0.605) 11.673 11.086 ( 11.643 0.583 0.605) 11.673 11.407 ( 2.282 -1.247 3.641) 4.475 11.407 ( 2.282 1.247 3.641) 4.475 11.582 ( -2.147 -2.455 0.921) 3.389 11.582 ( -2.147 2.455 0.921) 3.389 11.852 ( -3.171 -0.855 -4.526) 5.592 11.852 ( -3.171 0.855 -4.526) 5.592 12.063 ( 0.521 -2.246 1.770) 2.907 12.063 ( 0.521 2.246 1.770) 2.907 12.302 ( 3.962 -1.639 -0.321) 4.299 12.302 ( 3.962 1.639 -0.321) 4.299 12.704 ( 0.695 -0.582 0.047) 0.908 12.704 ( 0.695 0.582 0.047) 0.908 12.937 ( 0.151 -4.880 -3.261) 5.871 12.937 ( 0.151 4.880 -3.261) 5.871 13.237 ( 3.672 -7.556 1.326) 8.505 13.237 ( 3.672 7.556 1.326) 8.505 13.435 ( -1.528 -8.731 0.548) 8.880 13.435 ( -1.528 8.731 0.548) 8.880 13.751 ( -4.211 -2.342 1.297) 4.990 13.751 ( -4.211 2.342 1.297) 4.990 13.901 ( -7.276 -2.095 -1.973) 7.824 13.901 ( -7.276 2.095 -1.973) 7.824 14.328 ( 1.673 -6.584 1.570) 6.973 14.328 ( 1.673 6.584 1.570) 6.973 14.623 ( 3.676 -2.158 -1.604) 4.554 14.623 ( 3.676 2.158 -1.604) 4.554 15.128 ( -3.233 -6.654 -2.985) 7.977 15.128 ( -3.233 6.654 -2.985) 7.977 15.262 ( 7.605 -3.202 1.712) 8.427 15.262 ( 7.605 3.202 1.712) 8.427 15.736 ( -1.963 -4.877 -1.159) 5.384 15.736 ( -1.963 4.877 -1.159) 5.384 15.810 ( -4.527 -3.127 -4.026) 6.818 15.810 ( -4.527 3.127 -4.026) 6.818 16.265 ( -4.540 -5.675 4.808) 8.714 16.265 ( -4.540 5.675 4.808) 8.714 16.498 ( -5.210 -9.742 4.570) 11.955 16.498 ( -5.210 9.742 4.570) 11.955 16.819 ( -5.931 -0.868 -4.175) 7.305 16.819 ( -5.931 0.868 -4.175) 7.305 17.157 ( 0.388 -5.933 -0.152) 5.948 17.157 ( 0.388 5.933 -0.152) 5.948 17.667 ( 0.650 -1.278 -5.436) 5.622 17.667 ( 0.650 1.278 -5.436) 5.622 17.766 ( 2.274 -1.793 -3.173) 4.296 17.766 ( 2.274 1.793 -3.173) 4.296 17.971 ( -2.917 -2.207 -1.531) 3.965 17.971 ( -2.917 2.207 -1.531) 3.965 18.193 ( -3.102 -2.380 4.286) 5.801 18.193 ( -3.102 2.380 4.286) 5.801 18.330 ( -10.480 -2.701 4.247) 11.626 18.330 ( -10.480 2.701 4.247) 11.626 18.685 ( -4.130 -2.832 0.814) 5.073 18.685 ( -4.130 2.832 0.814) 5.073 18.860 ( -4.752 -3.576 0.286) 5.954 18.860 ( -4.752 3.576 0.286) 5.954 19.087 ( 1.440 -1.196 -2.405) 3.048 19.087 ( 1.440 1.196 -2.405) 3.048 22.060 ( -0.391 -1.523 -0.468) 1.640 22.060 ( -0.391 1.523 -0.468) 1.640 22.225 ( -3.461 -4.860 -0.723) 6.010 22.225 ( -3.461 4.860 -0.723) 6.010 22.642 ( -0.594 -0.610 -0.288) 0.899 22.642 ( -0.594 0.610 -0.288) 0.899 22.745 ( -1.420 -2.917 1.576) 3.607 22.745 ( -1.420 2.917 1.576) 3.607 27.193 ( 0.009 -0.924 -0.363) 0.993 27.193 ( 0.009 0.924 -0.363) 0.993 27.346 ( 2.392 -0.712 0.844) 2.634 27.346 ( 2.392 0.712 0.844) 2.634 27.610 ( 1.468 -0.455 -0.907) 1.785 27.610 ( 1.468 0.455 -0.907) 1.785 27.821 ( -0.652 -0.652 2.137) 2.327 27.821 ( -0.652 0.652 2.137) 2.327 35.725 ( 3.997 -4.598 1.790) 6.350 35.725 ( 3.997 4.598 1.790) 6.350 35.978 ( -2.904 -4.907 5.768) 8.111 35.978 ( -2.904 4.907 5.768) 8.111 36.530 ( 0.133 -5.348 -0.127) 5.351 36.530 ( 0.133 5.348 -0.127) 5.351 37.532 ( -0.700 -8.145 -1.805) 8.372 37.532 ( -0.700 8.145 -1.805) 8.372 37.717 ( 7.406 -4.666 0.049) 8.753 37.717 ( 7.406 4.666 0.049) 8.753 38.381 ( 4.559 -4.863 -8.134) 10.516 38.381 ( 4.559 4.863 -8.134) 10.516 38.938 ( 13.595 -8.254 13.783) 21.046 38.938 ( 13.595 8.254 13.783) 21.046 40.180 ( 6.228 -21.745 -11.732) 25.481 40.180 ( 6.228 21.745 -11.732) 25.481 ======================= Grid point 83 (44/84) ======================= q-point: ( 0.27 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 9.500 -11.264 5.089) 15.590 2.256 ( 9.500 11.264 5.089) 15.590 2.599 ( 12.428 -7.981 12.260) 19.195 2.599 ( 12.428 7.981 12.260) 19.195 2.806 ( 1.314 -1.546 -2.444) 3.176 2.806 ( 1.314 1.546 -2.444) 3.176 3.301 ( 11.188 -13.162 3.782) 17.684 3.301 ( 11.188 13.162 3.782) 17.684 3.682 ( 8.962 -4.958 -8.480) 13.297 3.682 ( 8.962 4.958 -8.480) 13.297 3.899 ( 6.146 -3.754 -8.243) 10.946 3.899 ( 6.146 3.754 -8.243) 10.946 4.062 ( -5.867 -5.526 -3.871) 8.941 4.062 ( -5.867 5.526 -3.871) 8.941 4.258 ( 1.965 -3.557 0.825) 4.147 4.258 ( 1.965 3.557 0.825) 4.147 4.487 ( 10.274 -4.002 1.281) 11.100 4.487 ( 10.274 4.002 1.281) 11.100 4.684 ( 1.026 -0.762 -3.997) 4.197 4.684 ( 1.026 0.762 -3.997) 4.197 4.838 ( 4.253 -7.025 2.876) 8.701 4.838 ( 4.253 7.025 2.876) 8.701 4.966 ( 0.941 -6.793 0.271) 6.863 4.966 ( 0.941 6.793 0.271) 6.863 5.149 ( 1.339 -3.601 3.492) 5.192 5.149 ( 1.339 3.601 3.492) 5.192 5.398 ( 2.000 -6.956 6.922) 10.015 5.398 ( 2.000 6.956 6.922) 10.015 5.544 ( -2.253 -3.092 1.239) 4.021 5.544 ( -2.253 3.092 1.239) 4.021 5.666 ( 2.999 -5.216 8.860) 10.709 5.666 ( 2.999 5.216 8.860) 10.709 5.785 ( -0.759 -5.787 -5.404) 7.954 5.785 ( -0.759 5.787 -5.404) 7.954 6.052 ( -1.070 -0.884 -0.610) 1.516 6.052 ( -1.070 0.884 -0.610) 1.516 6.130 ( 4.339 -0.277 1.151) 4.497 6.130 ( 4.339 0.277 1.151) 4.497 6.277 ( -0.736 -5.807 -0.280) 5.860 6.277 ( -0.736 5.807 -0.280) 5.860 6.417 ( 2.246 -3.524 1.338) 4.388 6.417 ( 2.246 3.524 1.338) 4.388 6.800 ( -2.017 -6.466 -0.969) 6.842 6.800 ( -2.017 6.466 -0.969) 6.842 7.016 ( -3.751 -1.601 -3.005) 5.066 7.016 ( -3.751 1.601 -3.005) 5.066 7.161 ( 0.008 -1.696 -0.889) 1.914 7.161 ( 0.008 1.696 -0.889) 1.914 7.271 ( 4.040 -3.625 -0.981) 5.516 7.271 ( 4.040 3.625 -0.981) 5.516 7.533 ( -1.840 -5.612 1.203) 6.028 7.533 ( -1.840 5.612 1.203) 6.028 7.580 ( -3.578 -6.364 0.795) 7.344 7.580 ( -3.578 6.364 0.795) 7.344 7.713 ( 0.825 -3.923 -1.441) 4.260 7.713 ( 0.825 3.923 -1.441) 4.260 7.790 ( 8.361 -7.962 -3.828) 12.164 7.790 ( 8.361 7.962 -3.828) 12.164 8.098 ( -0.162 -3.821 -0.973) 3.946 8.098 ( -0.162 3.821 -0.973) 3.946 8.243 ( -3.191 -1.196 -0.820) 3.505 8.243 ( -3.191 1.196 -0.820) 3.505 8.649 ( 0.131 -3.187 4.001) 5.117 8.649 ( 0.131 3.187 4.001) 5.117 8.891 ( 8.371 -8.495 -1.198) 11.987 8.891 ( 8.371 8.495 -1.198) 11.987 9.011 ( -2.030 -1.984 1.083) 3.038 9.011 ( -2.030 1.984 1.083) 3.038 9.196 ( 0.504 -1.900 -2.861) 3.471 9.196 ( 0.504 1.900 -2.861) 3.471 9.439 ( -3.356 -8.226 0.650) 8.908 9.439 ( -3.356 8.226 0.650) 8.908 9.711 ( -1.057 -1.960 0.175) 2.233 9.711 ( -1.057 1.960 0.175) 2.233 9.871 ( -1.293 -5.153 1.774) 5.602 9.871 ( -1.293 5.153 1.774) 5.602 11.197 ( -1.553 -3.907 0.636) 4.253 11.197 ( -1.553 3.907 0.636) 4.253 11.499 ( 8.368 -1.516 0.961) 8.558 11.499 ( 8.368 1.516 0.961) 8.558 11.634 ( 4.812 -2.727 4.379) 7.055 11.634 ( 4.812 2.727 4.379) 7.055 11.772 ( -1.897 -2.767 -6.356) 7.187 11.772 ( -1.897 2.767 -6.356) 7.187 12.088 ( 0.815 -2.017 3.192) 3.862 12.088 ( 0.815 2.017 3.192) 3.862 12.347 ( 1.283 -3.660 -0.955) 3.995 12.347 ( 1.283 3.660 -0.955) 3.995 12.739 ( 2.428 -2.221 -0.040) 3.291 12.739 ( 2.428 2.221 -0.040) 3.291 12.906 ( -1.920 -2.372 -2.129) 3.721 12.906 ( -1.920 2.372 -2.129) 3.721 13.222 ( -3.552 -6.282 -2.678) 7.698 13.222 ( -3.552 6.282 -2.678) 7.698 13.491 ( 5.081 -5.859 4.338) 8.886 13.491 ( 5.081 5.859 4.338) 8.886 13.672 ( -5.231 -2.362 -0.289) 5.747 13.672 ( -5.231 2.362 -0.289) 5.747 13.809 ( -1.073 -2.427 -0.880) 2.796 13.809 ( -1.073 2.427 -0.880) 2.796 14.329 ( -1.894 -4.473 -0.304) 4.867 14.329 ( -1.894 4.473 -0.304) 4.867 14.681 ( 3.020 -2.927 -0.855) 4.291 14.681 ( 3.020 2.927 -0.855) 4.291 15.050 ( -2.056 -6.298 -2.559) 7.103 15.050 ( -2.056 6.298 -2.559) 7.103 15.369 ( 0.179 -5.572 2.347) 6.049 15.369 ( 0.179 5.572 2.347) 6.049 15.668 ( -4.553 -3.606 0.644) 5.844 15.668 ( -4.553 3.606 0.644) 5.844 15.709 ( -3.268 -9.750 -8.001) 13.029 15.709 ( -3.268 9.750 -8.001) 13.029 16.129 ( -9.254 -2.165 5.631) 11.047 16.129 ( -9.254 2.165 5.631) 11.047 16.508 ( 0.829 -6.471 8.220) 10.495 16.508 ( 0.829 6.471 8.220) 10.495 16.701 ( -6.468 -1.673 -1.168) 6.782 16.701 ( -6.468 1.673 -1.168) 6.782 17.164 ( 0.941 -5.601 -0.780) 5.733 17.164 ( 0.941 5.601 -0.780) 5.733 17.653 ( 0.677 -0.752 -4.990) 5.091 17.653 ( 0.677 0.752 -4.990) 5.091 17.773 ( 0.052 -3.589 -4.783) 5.980 17.773 ( 0.052 3.589 -4.783) 5.980 17.822 ( -8.661 -1.671 -0.427) 8.831 17.822 ( -8.661 1.671 -0.427) 8.831 18.144 ( -3.416 -2.209 0.022) 4.068 18.144 ( -3.416 2.209 0.022) 4.068 18.233 ( -3.507 -4.422 4.324) 7.109 18.233 ( -3.507 4.422 4.324) 7.109 18.624 ( -3.487 -1.960 1.860) 4.412 18.624 ( -3.487 1.960 1.860) 4.412 18.763 ( -5.174 -2.619 -0.345) 5.810 18.763 ( -5.174 2.619 -0.345) 5.810 19.113 ( 2.352 -1.480 -2.405) 3.675 19.113 ( 2.352 1.480 -2.405) 3.675 22.052 ( -0.362 -1.419 -0.146) 1.472 22.052 ( -0.362 1.419 -0.146) 1.472 22.162 ( -2.820 -4.230 -0.494) 5.108 22.162 ( -2.820 4.230 -0.494) 5.108 22.624 ( -0.815 -0.372 -1.104) 1.422 22.624 ( -0.815 0.372 -1.104) 1.422 22.723 ( -1.822 -2.881 1.846) 3.877 22.723 ( -1.822 2.881 1.846) 3.877 27.198 ( 0.683 -0.915 -0.282) 1.176 27.198 ( 0.683 0.915 -0.282) 1.176 27.391 ( 1.947 -1.061 0.885) 2.387 27.391 ( 1.947 1.061 0.885) 2.387 27.632 ( 1.326 -0.586 -0.898) 1.705 27.632 ( 1.326 0.586 -0.898) 1.705 27.813 ( -1.197 -0.545 1.436) 1.947 27.813 ( -1.197 0.545 1.436) 1.947 35.805 ( 2.890 -4.014 2.351) 5.477 35.805 ( 2.890 4.014 2.351) 5.477 35.966 ( -1.085 -4.432 5.646) 7.259 35.966 ( -1.085 4.432 5.646) 7.259 36.576 ( 4.911 -1.248 -1.707) 5.347 36.576 ( 4.911 1.248 -1.707) 5.347 37.460 ( -5.725 -4.149 -2.786) 7.600 37.460 ( -5.725 4.149 -2.786) 7.600 37.877 ( 8.569 -7.857 1.454) 11.716 37.877 ( 8.569 7.857 1.454) 11.716 38.419 ( 4.726 -0.747 -7.061) 8.529 38.419 ( 4.726 0.747 -7.061) 8.529 39.267 ( 11.756 -13.715 15.308) 23.678 39.267 ( 11.756 13.715 15.308) 23.678 40.226 ( 5.723 -20.447 -11.735) 24.260 40.226 ( 5.723 20.447 -11.735) 24.260 ======================= Grid point 85 (45/84) ======================= q-point: ( 0.36 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 3.752 -4.261 2.092) 6.051 2.380 ( 3.752 4.261 2.092) 6.051 2.792 ( -1.058 -4.682 1.147) 4.935 2.792 ( -1.058 4.682 1.147) 4.935 2.958 ( 15.827 -4.269 10.469) 19.451 2.958 ( 15.827 4.269 10.469) 19.451 3.490 ( 5.726 -8.077 -0.311) 9.906 3.490 ( 5.726 8.077 -0.311) 9.906 3.746 ( 2.925 -3.175 -2.691) 5.087 3.746 ( 2.925 3.175 -2.691) 5.087 3.916 ( 0.055 -5.667 -2.687) 6.272 3.916 ( 0.055 5.667 -2.687) 6.272 4.059 ( 7.924 -4.245 -8.913) 12.660 4.059 ( 7.924 4.245 -8.913) 12.660 4.281 ( 1.086 -2.621 -0.663) 2.914 4.281 ( 1.086 2.621 -0.663) 2.914 4.580 ( 1.892 -2.774 -3.523) 4.867 4.580 ( 1.892 2.774 -3.523) 4.867 4.718 ( 2.937 -2.728 3.144) 5.094 4.718 ( 2.937 2.728 3.144) 5.094 4.875 ( 0.062 -1.406 0.535) 1.506 4.875 ( 0.062 1.406 0.535) 1.506 4.989 ( 0.642 -1.053 -2.953) 3.200 4.989 ( 0.642 1.053 -2.953) 3.200 5.110 ( -6.339 -3.313 4.809) 8.619 5.110 ( -6.339 3.313 4.809) 8.619 5.393 ( -4.013 -1.962 1.756) 4.799 5.393 ( -4.013 1.962 1.756) 4.799 5.562 ( 0.553 -1.824 2.093) 2.831 5.562 ( 0.553 1.824 2.093) 2.831 5.658 ( -5.645 -2.931 -5.068) 8.133 5.658 ( -5.645 2.931 -5.068) 8.133 5.865 ( 7.902 -2.816 9.807) 12.906 5.865 ( 7.902 2.816 9.807) 12.906 5.997 ( -0.351 -5.026 -1.136) 5.165 5.997 ( -0.351 5.026 -1.136) 5.165 6.170 ( -0.292 -4.212 0.816) 4.301 6.170 ( -0.292 4.212 0.816) 4.301 6.377 ( 7.164 -3.119 0.322) 7.821 6.377 ( 7.164 3.119 0.322) 7.821 6.478 ( 3.333 -2.887 -0.232) 4.416 6.478 ( 3.333 2.887 -0.232) 4.416 6.788 ( 0.657 -3.397 0.188) 3.465 6.788 ( 0.657 3.397 0.188) 3.465 6.915 ( -3.538 -4.040 -4.275) 6.864 6.915 ( -3.538 4.040 -4.275) 6.864 7.166 ( 0.947 -3.617 -1.030) 3.878 7.166 ( 0.947 3.617 -1.030) 3.878 7.350 ( 2.572 -9.387 -3.435) 10.321 7.350 ( 2.572 9.387 -3.435) 10.321 7.458 ( -6.544 -3.326 4.588) 8.656 7.458 ( -6.544 3.326 4.588) 8.656 7.494 ( -3.461 -2.814 4.288) 6.188 7.494 ( -3.461 2.814 4.288) 6.188 7.681 ( -2.289 -5.053 0.102) 5.548 7.681 ( -2.289 5.053 0.102) 5.548 7.987 ( 7.159 -3.154 -5.387) 9.499 7.987 ( 7.159 3.154 -5.387) 9.499 8.072 ( 0.169 -2.829 4.699) 5.487 8.072 ( 0.169 2.829 4.699) 5.487 8.266 ( 6.910 -0.875 -4.566) 8.328 8.266 ( 6.910 0.875 -4.566) 8.328 8.686 ( 2.017 -2.926 3.097) 4.714 8.686 ( 2.017 2.926 3.097) 4.714 8.960 ( -0.264 -4.323 -1.572) 4.608 8.960 ( -0.264 4.323 -1.572) 4.608 9.047 ( 4.618 -5.138 -0.447) 6.922 9.047 ( 4.618 5.138 -0.447) 6.922 9.189 ( 0.409 -2.141 -3.022) 3.727 9.189 ( 0.409 2.141 -3.022) 3.727 9.394 ( -1.428 -6.015 1.195) 6.296 9.394 ( -1.428 6.015 1.195) 6.296 9.699 ( -0.470 -1.280 -0.314) 1.399 9.699 ( -0.470 1.280 -0.314) 1.399 9.867 ( -0.358 -4.218 2.114) 4.732 9.867 ( -0.358 4.218 2.114) 4.732 11.125 ( -4.403 -4.595 0.202) 6.367 11.125 ( -4.403 4.595 0.202) 6.367 11.617 ( 1.379 -4.948 -3.909) 6.454 11.617 ( 1.379 4.948 -3.909) 6.454 11.742 ( 6.159 -1.226 -1.474) 6.451 11.742 ( 6.159 1.226 -1.474) 6.451 11.784 ( 4.851 -1.874 5.223) 7.371 11.784 ( 4.851 1.874 5.223) 7.371 12.118 ( 0.314 -2.779 2.383) 3.674 12.118 ( 0.314 2.779 2.383) 3.674 12.351 ( -0.010 -3.511 -0.765) 3.594 12.351 ( -0.010 3.511 -0.765) 3.594 12.752 ( -0.901 -4.094 -2.862) 5.075 12.752 ( -0.901 4.094 -2.862) 5.075 12.875 ( -0.162 -2.727 1.433) 3.085 12.875 ( -0.162 2.727 1.433) 3.085 13.145 ( -2.584 -3.507 -2.655) 5.102 13.145 ( -2.584 3.507 -2.655) 5.102 13.513 ( -5.452 -2.310 -1.506) 6.109 13.513 ( -5.452 2.310 -1.506) 6.109 13.639 ( 1.545 -6.611 4.355) 8.066 13.639 ( 1.545 6.611 4.355) 8.066 13.850 ( 5.999 -1.206 -1.674) 6.344 13.850 ( 5.999 1.206 -1.674) 6.344 14.282 ( -1.704 -2.299 -1.375) 3.175 14.282 ( -1.704 2.299 -1.375) 3.175 14.712 ( 0.529 -3.703 -0.192) 3.745 14.712 ( 0.529 3.703 -0.192) 3.745 15.043 ( 1.883 -3.735 -0.215) 4.188 15.043 ( 1.883 3.735 -0.215) 4.188 15.271 ( -9.797 -3.114 1.893) 10.452 15.271 ( -9.797 3.114 1.893) 10.452 15.579 ( -3.867 -6.680 -6.363) 10.003 15.579 ( -3.867 6.680 -6.363) 10.003 15.635 ( -2.332 -1.366 1.615) 3.148 15.635 ( -2.332 1.366 1.615) 3.148 16.039 ( -3.040 -0.871 1.442) 3.475 16.039 ( -3.040 0.871 1.442) 3.475 16.515 ( -7.452 -4.606 -2.522) 9.117 16.515 ( -7.452 4.606 -2.522) 9.117 16.610 ( -0.743 -5.310 12.329) 13.445 16.610 ( -0.743 5.310 12.329) 13.445 17.186 ( 1.720 -4.539 -0.544) 4.884 17.186 ( 1.720 4.539 -0.544) 4.884 17.590 ( -4.582 -0.796 -3.869) 6.050 17.590 ( -4.582 0.796 -3.869) 6.050 17.707 ( -1.280 -2.199 -0.294) 2.561 17.707 ( -1.280 2.199 -0.294) 2.561 17.798 ( 3.841 -3.089 -6.716) 8.331 17.798 ( 3.841 3.089 -6.716) 8.331 18.068 ( -4.003 -5.574 0.324) 6.870 18.068 ( -4.003 5.574 0.324) 6.870 18.220 ( -0.945 -4.245 4.390) 6.179 18.220 ( -0.945 4.245 4.390) 6.179 18.556 ( -4.633 -3.586 0.167) 5.861 18.556 ( -4.633 3.586 0.167) 5.861 18.683 ( -3.255 -3.481 0.116) 4.768 18.683 ( -3.255 3.481 0.116) 4.768 19.141 ( 1.999 -1.520 -2.244) 3.368 19.141 ( 1.999 1.520 -2.244) 3.368 22.046 ( -0.252 -1.165 -0.024) 1.193 22.046 ( -0.252 1.165 -0.024) 1.193 22.118 ( -1.753 -3.467 -0.193) 3.890 22.118 ( -1.753 3.467 -0.193) 3.890 22.606 ( -0.512 -0.544 -0.806) 1.099 22.606 ( -0.512 0.544 -0.806) 1.099 22.698 ( -1.644 -2.180 1.233) 2.996 22.698 ( -1.644 2.180 1.233) 2.996 27.213 ( 0.926 -0.624 0.044) 1.117 27.213 ( 0.926 0.624 0.044) 1.117 27.425 ( 1.164 -1.120 0.583) 1.717 27.425 ( 1.164 1.120 0.583) 1.717 27.648 ( 0.920 -0.640 -0.792) 1.372 27.648 ( 0.920 0.640 -0.792) 1.372 27.795 ( -1.284 -0.222 0.876) 1.570 27.795 ( -1.284 0.222 0.876) 1.570 35.844 ( -0.013 -3.897 3.183) 5.032 35.844 ( -0.013 3.897 3.183) 5.032 35.999 ( 1.173 -3.918 4.666) 6.205 35.999 ( 1.173 3.918 4.666) 6.205 36.683 ( 7.517 -3.983 -2.081) 8.758 36.683 ( 7.517 3.983 -2.081) 8.758 37.304 ( -8.817 -3.143 -3.057) 9.847 37.304 ( -8.817 3.143 -3.057) 9.847 38.028 ( 6.347 -10.804 2.199) 12.722 38.028 ( 6.347 10.804 2.199) 12.722 38.481 ( 5.121 -3.975 -5.518) 8.513 38.481 ( 5.121 3.975 -5.518) 8.513 39.497 ( 4.969 -14.903 12.322) 19.965 39.497 ( 4.969 14.903 12.322) 19.965 40.277 ( 5.722 -18.347 -9.391) 21.391 40.277 ( 5.722 18.347 -9.391) 21.391 ======================= Grid point 87 (46/84) ======================= q-point: ( 0.45 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 1.847 -0.723 1.762) 2.653 2.444 ( 1.847 0.723 1.762) 2.653 2.770 ( -1.689 -6.717 2.257) 7.285 2.770 ( -1.689 6.717 2.257) 7.285 3.216 ( 4.565 -4.540 9.495) 11.472 3.216 ( 4.565 4.540 9.495) 11.472 3.517 ( 1.050 -3.173 -7.238) 7.973 3.517 ( 1.050 3.173 -7.238) 7.973 3.770 ( -0.851 -1.793 -1.999) 2.816 3.770 ( -0.851 1.793 -1.999) 2.817 3.916 ( 0.144 -6.343 -1.548) 6.531 3.916 ( 0.144 6.343 -1.548) 6.531 4.143 ( 7.147 -5.698 -5.816) 10.834 4.143 ( 7.147 5.698 -5.816) 10.834 4.341 ( 3.018 -2.929 -0.092) 4.207 4.341 ( 3.018 2.929 -0.092) 4.207 4.575 ( 0.448 -2.337 -3.898) 4.567 4.575 ( 0.448 2.337 -3.898) 4.567 4.736 ( -3.210 -2.288 1.157) 4.108 4.736 ( -3.210 2.288 1.157) 4.108 4.891 ( -0.292 -1.124 3.453) 3.644 4.891 ( -0.292 1.124 3.453) 3.644 4.982 ( 2.228 -5.595 3.350) 6.891 4.982 ( 2.228 5.595 3.350) 6.891 5.078 ( 0.496 -2.407 1.284) 2.773 5.078 ( 0.496 2.407 1.284) 2.773 5.304 ( -2.642 -2.183 -1.140) 3.612 5.304 ( -2.642 2.183 -1.140) 3.612 5.504 ( -5.285 -1.977 -0.899) 5.714 5.504 ( -5.285 1.977 -0.899) 5.714 5.575 ( -1.847 -2.307 -3.913) 4.903 5.575 ( -1.847 2.307 -3.913) 4.903 5.925 ( -1.777 -1.509 1.559) 2.805 5.925 ( -1.777 1.509 1.559) 2.805 6.105 ( 3.301 -4.278 5.152) 7.466 6.105 ( 3.301 4.278 5.152) 7.466 6.177 ( 2.077 -4.249 2.756) 5.473 6.177 ( 2.077 4.249 2.756) 5.473 6.399 ( -3.715 -4.657 3.417) 6.868 6.399 ( -3.715 4.657 3.417) 6.868 6.609 ( 9.823 -2.422 -4.387) 11.028 6.609 ( 9.823 2.422 -4.387) 11.028 6.762 ( -2.419 -3.926 -3.472) 5.772 6.762 ( -2.419 3.926 -3.472) 5.772 6.913 ( 4.388 -6.277 -0.371) 7.667 6.913 ( 4.388 6.277 -0.371) 7.667 7.169 ( -1.034 -5.511 -0.231) 5.612 7.169 ( -1.034 5.511 -0.231) 5.612 7.306 ( -2.610 -2.640 0.423) 3.737 7.306 ( -2.610 2.640 0.423) 3.737 7.363 ( -4.392 -3.427 2.033) 5.930 7.363 ( -4.392 3.427 2.033) 5.930 7.543 ( 3.395 -1.062 0.096) 3.559 7.543 ( 3.395 1.062 0.096) 3.559 7.620 ( -4.327 -4.047 1.902) 6.223 7.620 ( -4.327 4.047 1.902) 6.223 7.969 ( -1.512 -1.446 0.514) 2.154 7.969 ( -1.512 1.446 0.514) 2.154 8.157 ( 0.417 -3.558 2.961) 4.648 8.157 ( 0.417 3.558 2.961) 4.648 8.388 ( 7.663 -3.351 -5.430) 9.972 8.388 ( 7.663 3.351 -5.430) 9.972 8.749 ( 2.133 -4.101 2.886) 5.450 8.749 ( 2.133 4.101 2.886) 5.450 8.961 ( 0.496 -3.520 0.609) 3.607 8.961 ( 0.496 3.520 0.609) 3.607 9.064 ( -0.701 -2.851 -3.355) 4.458 9.064 ( -0.701 2.851 -3.355) 4.458 9.178 ( 0.462 -1.766 -3.861) 4.270 9.178 ( 0.462 1.766 -3.861) 4.270 9.414 ( 1.933 -4.018 2.615) 5.169 9.414 ( 1.933 4.018 2.615) 5.169 9.687 ( -0.530 -2.302 -0.512) 2.417 9.687 ( -0.530 2.302 -0.512) 2.417 9.870 ( -0.657 -3.095 1.379) 3.452 9.870 ( -0.657 3.095 1.379) 3.452 11.068 ( -1.651 -3.671 0.619) 4.072 11.068 ( -1.651 3.671 0.619) 4.072 11.574 ( -1.181 -5.992 -7.089) 9.357 11.574 ( -1.181 5.992 -7.089) 9.357 11.836 ( 3.146 -1.484 -0.892) 3.591 11.836 ( 3.146 1.484 -0.892) 3.591 11.910 ( 3.968 -0.641 8.666) 9.552 11.910 ( 3.968 0.641 8.666) 9.552 12.101 ( -2.596 -2.178 -1.063) 3.551 12.101 ( -2.596 2.178 -1.063) 3.551 12.348 ( -0.239 -2.271 -0.028) 2.284 12.348 ( -0.239 2.271 -0.028) 2.284 12.729 ( 0.857 -4.177 0.151) 4.267 12.729 ( 0.857 4.177 0.151) 4.267 12.891 ( 0.659 -2.436 -0.582) 2.590 12.891 ( 0.659 2.436 -0.582) 2.590 13.104 ( -0.804 -3.318 -1.636) 3.786 13.104 ( -0.804 3.318 -1.636) 3.786 13.404 ( -3.594 -1.279 -3.288) 5.036 13.404 ( -3.594 1.279 -3.288) 5.036 13.658 ( -1.101 -4.646 1.902) 5.139 13.658 ( -1.101 4.646 1.902) 5.139 13.968 ( 5.280 -0.712 -0.429) 5.345 13.968 ( 5.280 0.712 -0.429) 5.345 14.268 ( 0.218 -4.494 -0.465) 4.523 14.268 ( 0.218 4.494 -0.465) 4.523 14.709 ( 0.116 -3.328 -0.137) 3.333 14.709 ( 0.116 3.328 -0.137) 3.333 15.075 ( -0.966 -1.215 1.366) 2.067 15.075 ( -0.966 1.215 1.366) 2.067 15.150 ( -1.590 -1.034 3.989) 4.417 15.150 ( -1.590 1.034 3.989) 4.417 15.492 ( -1.362 -8.689 -5.659) 10.458 15.492 ( -1.362 8.689 -5.659) 10.458 15.613 ( -1.132 -4.749 2.394) 5.438 15.613 ( -1.132 4.749 2.394) 5.438 16.001 ( -1.395 -2.078 -2.682) 3.669 16.001 ( -1.395 2.078 -2.682) 3.669 16.330 ( -8.811 -3.733 -2.881) 9.994 16.330 ( -8.811 3.733 -2.881) 9.994 16.698 ( 1.817 -1.425 12.483) 12.695 16.698 ( 1.817 1.425 12.483) 12.695 17.213 ( 1.112 -2.964 -0.006) 3.165 17.213 ( 1.112 2.964 -0.006) 3.165 17.514 ( -1.394 -0.809 -2.473) 2.952 17.514 ( -1.394 0.809 -2.473) 2.952 17.687 ( -0.164 -1.134 -2.789) 3.015 17.687 ( -0.164 1.134 -2.789) 3.015 17.849 ( 4.589 -2.590 -7.076) 8.822 17.849 ( 4.589 2.590 -7.076) 8.822 18.022 ( -1.529 -5.521 2.970) 6.453 18.022 ( -1.529 5.521 2.969) 6.453 18.232 ( -0.567 -3.581 4.865) 6.068 18.232 ( -0.567 3.581 4.865) 6.068 18.469 ( -3.657 -4.260 -1.642) 5.850 18.469 ( -3.657 4.260 -1.642) 5.850 18.639 ( -1.628 -3.262 -0.116) 3.648 18.639 ( -1.628 3.262 -0.116) 3.648 19.163 ( 1.637 -1.180 -1.992) 2.835 19.163 ( 1.637 1.180 -1.992) 2.835 22.044 ( 0.105 -0.970 0.038) 0.976 22.044 ( 0.105 0.970 0.038) 0.976 22.095 ( -0.749 -2.872 -0.047) 2.968 22.095 ( -0.749 2.872 -0.047) 2.968 22.601 ( 0.324 -0.577 -0.132) 0.675 22.601 ( 0.324 0.577 -0.132) 0.675 22.675 ( -1.330 -1.317 0.420) 1.919 22.675 ( -1.330 1.317 0.420) 1.919 27.229 ( 0.605 -0.288 0.404) 0.782 27.229 ( 0.605 0.288 0.404) 0.782 27.439 ( 0.186 -0.960 0.192) 0.997 27.439 ( 0.186 0.960 0.192) 0.997 27.659 ( 0.758 -0.655 -0.570) 1.153 27.659 ( 0.758 0.655 -0.570) 1.153 27.776 ( -1.185 -0.086 0.422) 1.261 27.776 ( -1.185 0.086 0.422) 1.261 35.851 ( -0.960 -5.700 3.588) 6.803 35.851 ( -0.960 5.700 3.588) 6.803 36.034 ( -0.273 -6.390 3.899) 7.491 36.034 ( -0.273 6.390 3.899) 7.491 36.819 ( 7.292 -8.332 -1.919) 11.238 36.819 ( 7.292 8.332 -1.919) 11.238 37.134 ( -6.416 -5.860 -3.090) 9.222 37.134 ( -6.416 5.860 -3.090) 9.222 38.123 ( 2.292 -12.957 2.739) 13.440 38.123 ( 2.292 12.957 2.739) 13.440 38.536 ( 3.502 -7.011 -4.786) 9.183 38.536 ( 3.502 7.011 -4.786) 9.183 39.577 ( -2.359 -14.283 9.021) 17.057 39.577 ( -2.359 14.283 9.021) 17.057 40.336 ( 5.099 -17.611 -6.772) 19.545 40.336 ( 5.099 17.611 -6.772) 19.545 ======================= Grid point 89 (47/84) ======================= q-point: (-0.45 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( -1.367 -0.539 0.911) 1.729 2.456 ( -1.367 0.539 0.911) 1.729 2.765 ( -1.221 -4.431 3.664) 5.878 2.765 ( -1.221 4.431 3.664) 5.878 3.229 ( -7.412 -6.418 7.981) 12.642 3.229 ( -7.412 6.418 7.981) 12.642 3.414 ( -7.409 -5.954 -8.341) 12.646 3.414 ( -7.409 5.954 -8.341) 12.646 3.719 ( -0.629 -3.881 -1.687) 4.278 3.719 ( -0.629 3.881 -1.687) 4.278 3.962 ( 2.671 -5.633 0.570) 6.260 3.962 ( 2.671 5.633 0.570) 6.260 4.233 ( 2.203 -6.187 -2.658) 7.085 4.233 ( 2.203 6.187 -2.658) 7.085 4.261 ( -6.592 -2.759 -2.522) 7.578 4.261 ( -6.592 2.759 -2.522) 7.578 4.612 ( 3.968 -2.142 -1.781) 4.848 4.612 ( 3.968 2.142 -1.781) 4.848 4.698 ( 1.080 -1.337 -5.805) 6.054 4.698 ( 1.080 1.337 -5.805) 6.054 4.921 ( 0.048 -2.589 3.424) 4.293 4.921 ( 0.048 2.589 3.424) 4.293 4.994 ( -2.368 -3.434 3.984) 5.768 4.994 ( -2.368 3.434 3.984) 5.768 5.114 ( 1.954 -0.645 2.117) 2.952 5.114 ( 1.954 0.645 2.117) 2.952 5.362 ( 3.300 -1.465 -1.479) 3.902 5.362 ( 3.300 1.465 -1.479) 3.902 5.432 ( 1.779 -0.870 1.336) 2.388 5.432 ( 1.779 0.870 1.336) 2.388 5.547 ( 2.312 -5.317 -3.621) 6.836 5.547 ( 2.312 5.317 -3.621) 6.836 5.873 ( -3.795 -1.913 -0.927) 4.350 5.873 ( -3.795 1.913 -0.927) 4.350 6.100 ( -2.472 -1.794 6.660) 7.326 6.100 ( -2.472 1.794 6.660) 7.326 6.241 ( -0.722 -4.396 0.861) 4.538 6.241 ( -0.722 4.396 0.861) 4.538 6.338 ( -5.314 -8.780 6.965) 12.403 6.338 ( -5.314 8.780 6.965) 12.403 6.667 ( -0.927 -0.924 -10.438) 10.519 6.667 ( -0.927 0.924 -10.438) 10.519 6.760 ( 3.468 -3.311 2.954) 5.632 6.760 ( 3.468 3.311 2.954) 5.632 7.010 ( 5.297 -5.883 -1.069) 7.988 7.010 ( 5.297 5.883 -1.069) 7.988 7.141 ( -1.131 -9.012 -0.278) 9.087 7.141 ( -1.131 9.012 -0.278) 9.087 7.247 ( -3.071 -2.037 2.889) 4.683 7.247 ( -3.071 2.037 2.889) 4.683 7.374 ( 1.540 -1.674 -2.842) 3.640 7.374 ( 1.540 1.674 -2.842) 3.640 7.515 ( -1.541 -4.579 1.462) 5.048 7.515 ( -1.541 4.579 1.462) 5.048 7.632 ( 2.250 -3.189 0.231) 3.910 7.632 ( 2.250 3.189 0.231) 3.910 7.934 ( -4.445 -3.050 1.774) 5.675 7.934 ( -4.445 3.050 1.774) 5.675 8.131 ( -2.207 -5.980 2.067) 6.701 8.131 ( -2.207 5.980 2.067) 6.701 8.457 ( 2.709 -2.554 -3.875) 5.374 8.457 ( 2.709 2.554 -3.875) 5.374 8.763 ( -2.593 -3.176 2.215) 4.660 8.763 ( -2.593 3.176 2.215) 4.660 8.931 ( -3.843 -4.774 0.674) 6.166 8.931 ( -3.843 4.775 0.674) 6.166 9.064 ( 2.292 -4.190 -3.324) 5.819 9.064 ( 2.292 4.190 -3.324) 5.819 9.176 ( 1.366 -1.299 -3.373) 3.864 9.176 ( 1.366 1.299 -3.373) 3.864 9.451 ( -0.196 -2.549 2.800) 3.791 9.451 ( -0.196 2.549 2.800) 3.791 9.687 ( 1.071 -4.215 0.152) 4.352 9.687 ( 1.071 4.215 0.152) 4.352 9.849 ( -2.007 -2.519 0.762) 3.310 9.849 ( -2.007 2.519 0.762) 3.310 11.073 ( 1.538 -2.105 0.932) 2.768 11.073 ( 1.538 2.105 0.932) 2.768 11.510 ( -1.775 -4.916 -7.128) 8.839 11.510 ( -1.775 4.916 -7.128) 8.839 11.838 ( -2.233 -2.043 -0.099) 3.028 11.838 ( -2.233 2.043 -0.099) 3.028 12.002 ( 0.746 -2.574 3.550) 4.448 12.002 ( 0.746 2.574 3.550) 4.448 12.038 ( -2.808 -1.799 3.668) 4.958 12.038 ( -2.808 1.799 3.668) 4.958 12.337 ( -0.552 -2.162 -1.066) 2.473 12.337 ( -0.552 2.162 -1.066) 2.473 12.790 ( 3.954 -3.089 0.232) 5.023 12.790 ( 3.954 3.089 0.232) 5.023 12.888 ( 0.400 -2.454 -0.230) 2.497 12.888 ( 0.400 2.454 -0.230) 2.497 13.088 ( 0.174 -2.525 -1.540) 2.963 13.088 ( 0.174 2.525 -1.540) 2.963 13.364 ( 0.840 -0.794 -4.297) 4.450 13.364 ( 0.840 0.794 -4.297) 4.450 13.650 ( 0.111 -5.148 1.980) 5.517 13.650 ( 0.111 5.148 1.980) 5.517 13.987 ( -3.358 -2.923 -0.132) 4.454 13.987 ( -3.358 2.923 -0.132) 4.454 14.262 ( -0.394 -1.135 -0.620) 1.352 14.262 ( -0.394 1.135 -0.620) 1.352 14.747 ( 3.538 -3.738 0.473) 5.168 14.747 ( 3.538 3.738 0.473) 5.168 15.087 ( 3.040 -4.189 1.209) 5.315 15.087 ( 3.040 4.189 1.209) 5.315 15.181 ( -0.094 -1.656 5.346) 5.598 15.181 ( -0.094 1.656 5.346) 5.598 15.487 ( 3.725 -6.938 -5.531) 9.623 15.487 ( 3.725 6.938 -5.531) 9.623 15.640 ( 3.445 -5.462 2.498) 6.924 15.640 ( 3.445 5.462 2.498) 6.924 15.940 ( -2.946 -1.804 -5.191) 6.236 15.940 ( -2.946 1.804 -5.191) 6.236 16.204 ( -3.219 -6.033 -0.289) 6.844 16.204 ( -3.219 6.033 -0.289) 6.844 16.793 ( 1.770 -1.874 10.337) 10.654 16.793 ( 1.770 1.874 10.337) 10.654 17.223 ( -0.065 -1.919 0.100) 1.922 17.223 ( -0.065 1.919 0.100) 1.922 17.513 ( 2.389 -1.827 -1.777) 3.493 17.513 ( 2.389 1.827 -1.777) 3.493 17.675 ( 0.713 -1.496 -3.813) 4.157 17.675 ( 0.713 1.496 -3.813) 4.157 17.875 ( 2.736 -2.800 -7.330) 8.310 17.875 ( 2.736 2.800 -7.330) 8.310 18.041 ( 0.420 -2.879 5.043) 5.822 18.041 ( 0.420 2.879 5.043) 5.822 18.243 ( -1.037 -4.130 4.982) 6.553 18.243 ( -1.037 4.130 4.982) 6.553 18.426 ( 0.503 -4.415 -2.733) 5.217 18.426 ( 0.503 4.415 -2.733) 5.217 18.621 ( 0.043 -2.711 -0.872) 2.849 18.621 ( 0.043 2.711 -0.872) 2.849 19.183 ( 1.508 -0.368 -1.551) 2.194 19.183 ( 1.508 0.368 -1.551) 2.194 22.051 ( 0.582 -1.412 0.203) 1.541 22.051 ( 0.582 1.412 0.203) 1.541 22.089 ( 0.260 -2.906 -0.181) 2.924 22.089 ( 0.260 2.906 -0.181) 2.924 22.615 ( 1.050 -0.727 0.002) 1.277 22.615 ( 1.050 0.727 0.002) 1.277 22.655 ( -0.811 -0.501 0.187) 0.972 22.655 ( -0.811 0.501 0.187) 0.972 27.238 ( 0.021 -0.205 0.574) 0.610 27.238 ( 0.021 0.205 0.574) 0.610 27.434 ( -0.831 -0.700 0.092) 1.090 27.434 ( -0.831 0.700 0.092) 1.090 27.671 ( 0.738 -0.672 -0.484) 1.109 27.671 ( 0.738 0.672 -0.484) 1.109 27.756 ( -1.071 -0.267 0.176) 1.117 27.756 ( -1.071 0.267 0.176) 1.117 35.849 ( -1.291 -6.653 3.625) 7.686 35.849 ( -1.291 6.653 3.625) 7.686 36.023 ( -2.912 -6.908 3.393) 8.228 36.023 ( -2.912 6.908 3.393) 8.228 36.848 ( -3.757 -8.795 -0.932) 9.609 36.848 ( -3.757 8.795 -0.932) 9.609 37.128 ( 7.960 -9.427 -3.425) 12.804 37.128 ( 7.960 9.427 -3.425) 12.804 38.138 ( -2.298 -14.183 3.271) 14.736 38.138 ( -2.298 14.183 3.271) 14.736 38.554 ( 1.164 -8.525 -5.001) 9.952 38.554 ( 1.164 8.525 -5.001) 9.952 39.510 ( -9.256 -13.141 7.252) 17.634 39.510 ( -9.256 13.141 7.252) 17.634 40.391 ( 4.057 -19.089 -4.917) 20.125 40.391 ( 4.057 19.089 -4.917) 20.125 ======================= Grid point 91 (48/84) ======================= q-point: (-0.36 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( -5.290 -1.694 -0.108) 5.556 2.402 ( -5.290 1.694 -0.108) 5.556 2.694 ( -10.880 -5.473 6.304) 13.714 2.694 ( -10.880 5.473 6.304) 13.714 3.059 ( -11.922 -1.728 5.138) 13.096 3.059 ( -11.922 1.728 5.138) 13.096 3.266 ( -5.589 -5.680 -1.819) 8.174 3.266 ( -5.589 5.680 -1.819) 8.174 3.697 ( -0.356 -4.000 -3.608) 5.399 3.697 ( -0.356 4.000 -3.608) 5.399 3.977 ( 0.579 -3.749 -0.899) 3.899 3.977 ( 0.579 3.749 -0.899) 3.899 4.129 ( -3.593 -4.143 -3.943) 6.754 4.129 ( -3.593 4.143 -3.943) 6.754 4.283 ( 1.130 -4.859 0.148) 4.991 4.283 ( 1.130 4.859 0.148) 4.991 4.585 ( -0.777 -0.497 -11.215) 11.253 4.585 ( -0.777 0.497 -11.215) 11.253 4.745 ( 3.494 -0.834 0.920) 3.709 4.745 ( 3.494 0.834 0.920) 3.709 4.901 ( -2.092 -4.552 1.747) 5.305 4.901 ( -2.092 4.552 1.747) 5.305 4.998 ( -4.587 -3.644 3.550) 6.849 4.998 ( -4.587 3.644 3.550) 6.849 5.118 ( 0.801 -4.371 1.045) 4.565 5.118 ( 0.801 4.371 1.045) 4.565 5.318 ( -4.431 -6.556 0.611) 7.936 5.318 ( -4.431 6.556 0.611) 7.936 5.555 ( 5.071 -2.373 4.578) 7.232 5.555 ( 5.071 2.373 4.578) 7.232 5.607 ( 2.013 -5.378 -1.236) 5.874 5.607 ( 2.013 5.378 -1.236) 5.874 5.852 ( 4.725 -2.229 -3.624) 6.358 5.852 ( 4.725 2.229 -3.624) 6.358 6.093 ( -5.175 -7.513 8.339) 12.360 6.093 ( -5.175 7.513 8.339) 12.360 6.169 ( -4.230 -2.680 -0.508) 5.033 6.169 ( -4.230 2.680 -0.508) 5.033 6.281 ( -2.814 -2.814 4.056) 5.682 6.281 ( -2.814 2.814 4.056) 5.682 6.574 ( -4.977 -6.504 -2.514) 8.567 6.574 ( -4.977 6.504 -2.514) 8.567 6.782 ( -3.992 -1.000 3.355) 5.309 6.782 ( -3.992 1.000 3.355) 5.309 7.081 ( 1.915 -4.117 -1.017) 4.653 7.081 ( 1.915 4.117 -1.017) 4.653 7.119 ( 0.782 -11.706 -3.897) 12.363 7.119 ( 0.782 11.706 -3.897) 12.363 7.251 ( 2.230 -1.070 -2.415) 3.457 7.251 ( 2.230 1.070 -2.415) 3.457 7.324 ( -1.635 -3.925 -4.390) 6.111 7.324 ( -1.635 3.925 -4.390) 6.111 7.564 ( 0.569 -4.679 3.216) 5.707 7.564 ( 0.569 4.679 3.216) 5.707 7.651 ( 0.520 -2.595 2.086) 3.370 7.651 ( 0.520 2.595 2.086) 3.370 7.851 ( -1.351 -3.210 -3.226) 4.747 7.851 ( -1.351 3.210 -3.226) 4.747 8.144 ( 1.589 -6.488 3.655) 7.614 8.144 ( 1.589 6.488 3.655) 7.614 8.474 ( 0.913 -3.726 -1.274) 4.042 8.474 ( 0.913 3.726 -1.274) 4.042 8.687 ( -6.056 -3.255 3.743) 7.828 8.687 ( -6.056 3.255 3.743) 7.828 8.874 ( -1.196 -2.095 -4.886) 5.449 8.874 ( -1.196 2.095 -4.886) 5.449 9.046 ( -3.680 -1.135 0.460) 3.879 9.046 ( -3.680 1.135 0.460) 3.879 9.194 ( 1.777 -0.967 -2.040) 2.873 9.194 ( 1.777 0.967 -2.040) 2.873 9.449 ( -0.581 -3.731 2.069) 4.305 9.449 ( -0.581 3.731 2.069) 4.305 9.719 ( 1.910 -4.852 -1.539) 5.436 9.719 ( 1.910 4.852 -1.539) 5.436 9.823 ( -1.038 -1.406 2.834) 3.330 9.823 ( -1.038 1.406 2.834) 3.330 11.122 ( 2.967 -1.101 0.466) 3.198 11.122 ( 2.967 1.101 0.466) 3.198 11.440 ( -1.960 -1.752 -5.050) 5.693 11.440 ( -1.960 1.752 -5.050) 5.693 11.758 ( -7.224 -1.243 1.527) 7.488 11.758 ( -7.224 1.243 1.527) 7.488 11.958 ( -1.546 -1.111 -1.497) 2.422 11.958 ( -1.546 1.111 -1.497) 2.422 12.068 ( -0.712 -1.514 6.644) 6.851 12.068 ( -0.712 1.514 6.644) 6.851 12.317 ( -0.970 -1.850 -1.268) 2.444 12.317 ( -0.970 1.850 -1.268) 2.444 12.792 ( -1.868 -2.214 -1.228) 3.146 12.792 ( -1.868 2.214 -1.228) 3.146 12.960 ( 5.155 -3.655 -0.970) 6.393 12.960 ( 5.155 3.655 -0.970) 6.393 13.107 ( 2.463 -5.175 -0.981) 5.815 13.107 ( 2.463 5.175 -0.981) 5.815 13.366 ( 1.430 -1.647 -2.188) 3.090 13.366 ( 1.430 1.647 -2.188) 3.090 13.700 ( 3.444 -4.755 2.857) 6.530 13.700 ( 3.444 4.755 2.857) 6.530 13.885 ( -5.615 -3.485 -0.209) 6.611 13.885 ( -5.615 3.485 -0.209) 6.611 14.255 ( 0.242 -1.977 -1.687) 2.610 14.255 ( 0.242 1.977 -1.687) 2.610 14.799 ( 0.452 -4.334 1.781) 4.708 14.799 ( 0.452 4.334 1.781) 4.708 15.171 ( 4.817 -4.996 -3.430) 7.742 15.171 ( 4.817 4.996 -3.430) 7.742 15.204 ( 0.798 -4.267 4.266) 6.086 15.204 ( 0.798 4.267 4.266) 6.086 15.535 ( 2.775 -6.527 -3.414) 7.872 15.535 ( 2.775 6.527 -3.414) 7.872 15.753 ( 6.503 -1.720 -0.268) 6.732 15.753 ( 6.503 1.720 -0.268) 6.732 15.892 ( 2.070 -3.003 -1.252) 3.856 15.892 ( 2.070 3.003 -1.252) 3.856 16.202 ( 2.079 -8.638 2.467) 9.221 16.202 ( 2.079 8.638 2.467) 9.221 16.867 ( 1.230 -2.318 7.366) 7.819 16.867 ( 1.230 2.318 7.366) 7.819 17.219 ( -0.214 -1.264 0.193) 1.296 17.219 ( -0.214 1.264 0.193) 1.296 17.573 ( 4.622 -1.282 -2.442) 5.382 17.573 ( 4.622 1.282 -2.442) 5.382 17.677 ( 2.200 -0.660 -4.196) 4.783 17.677 ( 2.200 0.660 -4.196) 4.783 17.893 ( 2.973 -3.271 -6.172) 7.591 17.893 ( 2.973 3.271 -6.172) 7.591 18.058 ( -1.485 -3.064 5.327) 6.322 18.058 ( -1.485 3.064 5.327) 6.322 18.263 ( 0.990 -3.895 3.811) 5.538 18.263 ( 0.990 3.895 3.811) 5.538 18.452 ( 3.244 -3.506 -1.724) 5.078 18.452 ( 3.244 3.506 -1.724) 5.078 18.635 ( 2.229 -2.083 -1.918) 3.603 18.635 ( 2.229 2.083 -1.918) 3.603 19.203 ( 1.374 -1.064 -0.832) 1.927 19.203 ( 1.374 1.064 -0.832) 1.927 22.066 ( 0.811 -2.379 0.620) 2.589 22.066 ( 0.811 2.379 0.620) 2.589 22.103 ( 1.487 -3.442 -0.752) 3.824 22.103 ( 1.487 3.442 -0.752) 3.824 22.620 ( -0.258 -0.426 -1.495) 1.576 22.620 ( -0.258 0.426 -1.495) 1.576 22.664 ( 1.295 -0.914 1.582) 2.240 22.664 ( 1.295 0.914 1.582) 2.240 27.237 ( -0.391 -0.270 0.447) 0.652 27.237 ( -0.391 0.270 0.447) 0.652 27.411 ( -1.762 -0.660 0.395) 1.922 27.411 ( -1.762 0.660 0.395) 1.922 27.679 ( 0.370 -0.672 -0.752) 1.074 27.679 ( 0.370 0.672 -0.752) 1.074 27.739 ( -0.916 -0.409 0.341) 1.060 27.739 ( -0.916 0.409 0.341) 1.060 35.836 ( -2.420 -5.319 3.249) 6.687 35.836 ( -2.420 5.319 3.249) 6.687 35.971 ( -4.008 -4.172 3.224) 6.623 35.971 ( -4.008 4.172 3.224) 6.623 36.762 ( -4.055 -5.517 0.310) 6.854 36.762 ( -4.055 5.517 0.310) 6.854 37.295 ( 10.402 -7.816 -3.471) 13.466 37.295 ( 10.402 7.816 -3.471) 13.466 38.078 ( -5.987 -14.689 3.915) 16.339 38.078 ( -5.987 14.689 3.915) 16.339 38.527 ( -0.888 -8.784 -6.697) 11.082 38.527 ( -0.888 8.784 -6.697) 11.082 39.328 ( -13.909 -12.082 8.314) 20.213 39.328 ( -13.909 12.082 8.314) 20.213 40.428 ( 2.334 -22.388 -4.443) 22.943 40.428 ( 2.334 22.388 -4.443) 22.943 ======================= Grid point 93 (49/84) ======================= q-point: (-0.27 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -16.861 -4.661 2.595) 17.685 2.206 ( -16.861 4.661 2.595) 17.685 2.487 ( -14.939 -12.212 11.036) 22.229 2.487 ( -14.939 12.212 11.036) 22.229 2.855 ( -9.199 -9.227 -4.102) 13.660 2.855 ( -9.199 9.227 -4.102) 13.660 3.191 ( -4.424 -4.930 4.783) 8.170 3.191 ( -4.424 4.930 4.783) 8.170 3.701 ( 2.369 -2.179 -4.463) 5.502 3.701 ( 2.369 2.179 -4.463) 5.502 3.941 ( -4.281 -0.199 -9.506) 10.428 3.941 ( -4.281 0.199 -9.506) 10.428 4.048 ( -0.074 -5.432 -7.699) 9.423 4.048 ( -0.074 5.432 -7.699) 9.423 4.305 ( 0.701 -2.460 5.643) 6.196 4.305 ( 0.701 2.460 5.643) 6.196 4.579 ( 5.133 -2.885 -5.523) 8.073 4.579 ( 5.133 2.885 -5.523) 8.073 4.672 ( -21.237 -8.811 1.910) 23.072 4.672 ( -21.237 8.811 1.910) 23.072 4.819 ( -0.180 -1.393 0.220) 1.422 4.819 ( -0.180 1.393 0.220) 1.422 4.941 ( -1.034 -2.002 5.150) 5.622 4.941 ( -1.034 2.002 5.150) 5.622 5.155 ( 0.438 -4.726 2.912) 5.568 5.155 ( 0.438 4.726 2.912) 5.568 5.293 ( 2.254 -3.269 1.688) 4.315 5.293 ( 2.254 3.269 1.688) 4.315 5.553 ( -6.331 -0.647 2.723) 6.922 5.553 ( -6.331 0.647 2.723) 6.922 5.653 ( 1.375 -1.507 5.186) 5.573 5.653 ( 1.375 1.507 5.186) 5.573 5.880 ( -3.695 -2.497 -1.234) 4.627 5.880 ( -3.695 2.497 -1.234) 4.627 5.992 ( -4.712 -2.701 0.051) 5.431 5.992 ( -4.712 2.701 0.051) 5.431 6.165 ( 1.275 -3.077 2.376) 4.091 6.165 ( 1.275 3.077 2.376) 4.091 6.264 ( -2.397 -6.580 1.460) 7.154 6.264 ( -2.397 6.580 1.460) 7.154 6.480 ( -3.859 -5.157 -0.795) 6.490 6.480 ( -3.859 5.157 -0.795) 6.490 6.708 ( -1.758 -1.534 2.665) 3.542 6.708 ( -1.758 1.534 2.665) 3.542 7.001 ( -5.851 -5.683 -7.502) 11.081 7.001 ( -5.851 5.683 -7.502) 11.081 7.147 ( 0.251 -5.681 -1.611) 5.911 7.147 ( 0.251 5.681 -1.611) 5.911 7.250 ( -0.115 -0.861 -2.382) 2.535 7.250 ( -0.115 0.861 -2.382) 2.535 7.341 ( 4.372 -6.062 -3.976) 8.466 7.341 ( 4.372 6.062 -3.976) 8.466 7.541 ( -0.029 -2.692 0.275) 2.706 7.541 ( -0.029 2.692 0.275) 2.706 7.725 ( 4.611 -3.771 1.932) 6.262 7.725 ( 4.611 3.771 1.932) 6.262 7.854 ( 2.588 -1.242 -5.653) 6.341 7.854 ( 2.588 1.242 -5.653) 6.341 8.210 ( 2.492 -7.140 5.557) 9.384 8.210 ( 2.492 7.140 5.557) 9.384 8.478 ( -0.504 -4.831 1.224) 5.009 8.478 ( -0.504 4.831 1.224) 5.009 8.612 ( -4.626 -5.036 5.962) 9.073 8.612 ( -4.626 5.036 5.962) 9.073 8.824 ( -0.412 -3.973 -8.251) 9.167 8.824 ( -0.412 3.973 -8.251) 9.167 8.968 ( -4.723 -3.902 2.555) 6.638 8.968 ( -4.723 3.902 2.555) 6.638 9.214 ( 1.839 -0.163 -1.736) 2.534 9.214 ( 1.839 0.163 -1.736) 2.534 9.460 ( 0.226 -4.697 2.688) 5.416 9.460 ( 0.226 4.697 2.688) 5.416 9.729 ( 1.465 -1.128 -4.197) 4.586 9.729 ( 1.465 1.128 -4.197) 4.586 9.857 ( 2.131 -3.678 4.668) 6.313 9.857 ( 2.131 3.678 4.668) 6.313 11.167 ( 1.013 -1.223 0.184) 1.598 11.167 ( 1.013 1.223 0.184) 1.598 11.396 ( -1.858 -1.801 -0.005) 2.588 11.396 ( -1.858 1.801 -0.005) 2.588 11.603 ( -8.085 -0.266 0.013) 8.089 11.603 ( -8.085 0.266 0.013) 8.089 11.942 ( -1.129 -1.200 -0.837) 1.848 11.942 ( -1.129 1.200 -0.837) 1.848 12.064 ( -1.255 -3.821 2.808) 4.905 12.064 ( -1.255 3.821 2.808) 4.905 12.294 ( -0.608 -0.208 -1.116) 1.288 12.294 ( -0.608 0.208 -1.116) 1.288 12.759 ( -1.505 -0.760 1.255) 2.102 12.759 ( -1.505 0.760 1.255) 2.102 12.999 ( 0.735 -3.418 -4.810) 5.946 12.999 ( 0.735 3.418 -4.810) 5.946 13.145 ( 1.662 -7.822 -1.267) 8.097 13.145 ( 1.662 7.822 -1.267) 8.097 13.402 ( 1.400 -1.351 2.244) 2.970 13.402 ( 1.400 1.351 2.244) 2.970 13.756 ( 1.481 -3.671 1.416) 4.204 13.756 ( 1.481 3.671 1.416) 4.204 13.872 ( 4.977 -2.425 1.281) 5.682 13.872 ( 4.977 2.425 1.281) 5.682 14.252 ( 0.483 -2.339 -1.861) 3.028 14.252 ( 0.483 2.339 -1.861) 3.028 14.779 ( -3.429 -5.527 2.699) 7.042 14.779 ( -3.429 5.527 2.699) 7.042 15.190 ( 0.635 -6.347 -9.833) 11.721 15.190 ( 0.635 6.347 -9.833) 11.721 15.246 ( 0.968 -5.107 2.763) 5.887 15.246 ( 0.968 5.107 2.763) 5.887 15.545 ( 0.167 -3.385 2.218) 4.051 15.545 ( 0.167 3.385 2.218) 4.051 15.878 ( 8.251 -1.197 -3.033) 8.872 15.878 ( 8.251 1.197 -3.033) 8.872 15.981 ( 5.208 -2.410 -0.234) 5.743 15.981 ( 5.208 2.410 -0.234) 5.743 16.302 ( 6.163 -9.313 5.461) 12.431 16.302 ( 6.163 9.313 5.461) 12.431 16.925 ( 2.049 -2.796 4.517) 5.694 16.925 ( 2.049 2.796 4.517) 5.694 17.220 ( 0.064 -1.421 0.708) 1.589 17.220 ( 0.064 1.421 0.708) 1.589 17.617 ( 1.588 -0.415 -4.151) 4.464 17.617 ( 1.588 0.415 -4.151) 4.464 17.740 ( 6.985 -2.458 -6.631) 9.940 17.740 ( 6.985 2.458 -6.631) 9.940 17.906 ( 1.192 -2.696 -3.363) 4.472 17.906 ( 1.192 2.696 -3.363) 4.472 18.068 ( 0.197 -4.463 4.905) 6.635 18.068 ( 0.197 4.463 4.905) 6.635 18.307 ( 1.354 -1.101 4.244) 4.589 18.307 ( 1.354 1.101 4.244) 4.589 18.523 ( 4.875 -3.085 -0.044) 5.770 18.523 ( 4.875 3.085 -0.044) 5.770 18.683 ( 4.583 -1.163 -3.479) 5.870 18.683 ( 4.583 1.163 -3.479) 5.870 19.224 ( 1.037 -2.217 0.147) 2.451 19.224 ( 1.037 2.217 0.147) 2.451 22.087 ( 0.937 -2.875 1.103) 3.219 22.087 ( 0.937 2.875 1.103) 3.219 22.134 ( 2.514 -3.694 -1.712) 4.785 22.134 ( 2.514 3.694 -1.712) 4.785 22.603 ( -0.570 -0.209 -1.382) 1.510 22.603 ( -0.570 0.209 -1.382) 1.510 22.702 ( 1.689 -1.554 1.517) 2.751 22.702 ( 1.689 1.554 1.517) 2.751 27.230 ( -0.480 -0.285 0.125) 0.572 27.230 ( -0.480 0.285 0.125) 0.572 27.374 ( -2.513 -0.739 0.776) 2.732 27.374 ( -2.513 0.739 0.776) 2.732 27.673 ( -0.529 -0.501 -1.163) 1.372 27.673 ( -0.529 0.501 -1.163) 1.372 27.728 ( -0.537 -0.588 0.917) 1.214 27.728 ( -0.537 0.588 0.917) 1.214 35.780 ( -4.997 -1.950 2.239) 5.813 35.780 ( -4.997 1.950 2.239) 5.813 35.933 ( -1.758 -5.282 3.620) 6.641 35.933 ( -1.758 5.282 3.620) 6.641 36.713 ( -1.879 -4.939 1.973) 5.641 36.713 ( -1.879 4.939 1.973) 5.641 37.446 ( 7.397 -5.344 -3.152) 9.654 37.446 ( 7.397 5.344 -3.152) 9.654 37.971 ( -7.583 -15.312 4.579) 17.690 37.971 ( -7.583 15.312 4.579) 17.690 38.441 ( -4.275 -8.395 -10.265) 13.933 38.441 ( -4.275 8.395 -10.265) 13.933 39.131 ( -11.642 -12.073 13.087) 21.273 39.131 ( -11.642 12.073 13.087) 21.273 40.415 ( -1.302 -26.396 -6.430) 27.199 40.415 ( -1.302 26.396 -6.430) 27.199 ======================= Grid point 95 (50/84) ======================= q-point: (-0.18 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -18.978 -12.613 7.942) 24.131 1.881 ( -18.978 12.613 7.942) 24.131 2.231 ( -18.334 -15.818 10.731) 26.486 2.231 ( -18.334 15.818 10.731) 26.486 2.736 ( -1.228 -7.356 -6.604) 9.961 2.736 ( -1.228 7.356 -6.604) 9.961 3.100 ( -7.465 -5.735 1.004) 9.467 3.100 ( -7.465 5.735 1.004) 9.467 3.652 ( -5.183 -6.157 -6.435) 10.305 3.652 ( -5.183 6.157 -6.435) 10.305 3.802 ( -3.808 -1.102 -10.981) 11.675 3.802 ( -3.808 1.102 -10.981) 11.675 4.043 ( -7.311 -12.560 -0.124) 14.534 4.043 ( -7.311 12.560 -0.124) 14.534 4.121 ( -15.807 -9.842 1.694) 18.697 4.121 ( -15.807 9.842 1.694) 18.697 4.456 ( 2.484 -10.300 4.174) 11.388 4.456 ( 2.484 10.300 4.174) 11.388 4.684 ( 5.026 -6.318 0.093) 8.074 4.684 ( 5.026 6.318 0.093) 8.074 4.800 ( -1.996 -5.112 0.925) 5.566 4.800 ( -1.996 5.112 0.925) 5.566 4.958 ( -0.528 -5.370 5.105) 7.428 4.958 ( -0.528 5.370 5.105) 7.428 5.201 ( 1.444 -3.060 6.428) 7.264 5.201 ( 1.444 3.060 6.428) 7.264 5.344 ( -1.901 -2.491 6.028) 6.794 5.344 ( -1.901 2.491 6.028) 6.794 5.443 ( -4.511 -1.567 4.548) 6.595 5.443 ( -4.511 1.567 4.548) 6.595 5.651 ( -4.345 -5.261 1.252) 6.937 5.651 ( -4.345 5.261 1.252) 6.937 5.788 ( -3.060 -2.931 -3.321) 5.384 5.788 ( -3.060 2.931 -3.321) 5.384 5.896 ( -4.713 -2.408 2.218) 5.739 5.896 ( -4.713 2.408 2.218) 5.739 6.153 ( -5.180 -5.339 3.481) 8.213 6.153 ( -5.180 5.339 3.481) 8.213 6.237 ( 2.300 -5.002 -3.225) 6.380 6.237 ( 2.300 5.002 -3.225) 6.380 6.440 ( 1.208 -4.330 -3.810) 5.893 6.440 ( 1.208 4.330 -3.810) 5.893 6.761 ( 0.596 -2.745 2.155) 3.540 6.761 ( 0.596 2.745 2.155) 3.540 6.865 ( -0.375 -7.570 -8.380) 11.299 6.865 ( -0.375 7.570 -8.380) 11.299 7.103 ( -3.564 -7.128 -1.246) 8.066 7.103 ( -3.564 7.128 -1.246) 8.066 7.217 ( -0.530 -3.011 -3.959) 5.002 7.217 ( -0.530 3.011 -3.959) 5.002 7.417 ( 5.278 -5.620 -3.297) 8.385 7.417 ( 5.278 5.620 -3.297) 8.385 7.590 ( 4.045 -3.385 -1.051) 5.378 7.590 ( 4.045 3.385 -1.051) 5.378 7.785 ( 0.423 -4.255 -1.459) 4.518 7.785 ( 0.423 4.255 -1.459) 4.518 7.881 ( 2.771 -5.917 -1.149) 6.633 7.881 ( 2.771 5.917 -1.149) 6.633 8.271 ( 0.495 -9.514 4.949) 10.736 8.271 ( 0.495 9.514 4.949) 10.736 8.460 ( -1.643 -6.393 0.076) 6.601 8.460 ( -1.643 6.393 0.076) 6.601 8.585 ( -1.420 -9.725 5.470) 11.248 8.585 ( -1.420 9.725 5.470) 11.248 8.787 ( 0.104 -5.246 -4.004) 6.600 8.787 ( 0.104 5.246 -4.004) 6.600 8.912 ( -2.100 -3.965 1.697) 4.797 8.912 ( -2.100 3.965 1.697) 4.797 9.248 ( 2.251 -1.824 -0.782) 3.001 9.248 ( 2.251 1.824 -0.782) 3.001 9.480 ( 0.421 -4.356 2.675) 5.129 9.480 ( 0.421 4.356 2.675) 5.129 9.748 ( 2.995 -2.052 -4.011) 5.410 9.748 ( 2.995 2.052 -4.011) 5.410 9.927 ( 2.653 -5.703 3.175) 7.046 9.927 ( 2.653 5.703 3.175) 7.046 11.123 ( -8.040 -2.416 1.970) 8.623 11.123 ( -8.040 2.416 1.970) 8.623 11.331 ( -3.764 -2.695 2.125) 5.094 11.331 ( -3.764 2.695 2.125) 5.094 11.554 ( 2.535 -2.473 0.031) 3.541 11.554 ( 2.535 2.473 0.031) 3.541 11.865 ( -4.669 -0.742 -4.198) 6.322 11.865 ( -4.669 0.742 -4.198) 6.322 12.097 ( 2.425 -5.701 3.243) 6.993 12.097 ( 2.425 5.701 3.243) 6.993 12.277 ( -0.608 -1.160 -2.012) 2.401 12.277 ( -0.608 1.160 -2.012) 2.401 12.748 ( -0.908 -0.727 2.526) 2.781 12.748 ( -0.908 0.727 2.526) 2.781 12.961 ( -1.273 -3.531 -4.984) 6.239 12.961 ( -1.273 3.531 -4.984) 6.239 13.151 ( -0.742 -5.985 0.211) 6.034 13.151 ( -0.742 5.985 0.211) 6.034 13.403 ( -1.400 -1.136 0.243) 1.819 13.403 ( -1.400 1.136 0.243) 1.819 13.833 ( 4.959 -4.066 1.950) 6.702 13.833 ( 4.959 4.066 1.950) 6.702 14.011 ( 7.827 -2.699 1.353) 8.389 14.011 ( 7.827 2.699 1.353) 8.389 14.258 ( 0.951 -2.086 -0.136) 2.297 14.258 ( 0.951 2.086 -0.136) 2.297 14.718 ( -4.297 -6.230 2.637) 8.015 14.718 ( -4.297 6.230 2.637) 8.015 15.088 ( -4.354 -4.728 -9.938) 11.835 15.088 ( -4.354 4.728 -9.938) 11.835 15.292 ( 2.189 -9.469 3.990) 10.506 15.292 ( 2.189 9.469 3.990) 10.506 15.588 ( 2.961 -7.378 1.312) 8.058 15.588 ( 2.961 7.378 1.312) 8.058 15.966 ( 2.110 -3.000 -4.036) 5.453 15.966 ( 2.110 3.000 -4.036) 5.453 16.079 ( 6.274 -0.758 -1.062) 6.408 16.079 ( 6.274 0.758 -1.062) 6.408 16.449 ( 5.952 -7.247 4.079) 10.227 16.449 ( 5.952 7.247 4.079) 10.227 16.990 ( 2.614 -5.333 0.483) 5.959 16.990 ( 2.614 5.333 0.483) 5.959 17.240 ( 2.015 -4.415 2.634) 5.521 17.240 ( 2.015 4.415 2.634) 5.521 17.597 ( -1.543 -0.751 -4.165) 4.505 17.597 ( -1.543 0.751 -4.165) 4.505 17.779 ( 1.395 -2.710 -9.089) 9.586 17.779 ( 1.395 2.710 -9.089) 9.586 17.929 ( 2.499 -2.933 -3.962) 5.527 17.929 ( 2.499 2.933 -3.962) 5.527 18.127 ( 2.676 -5.319 7.455) 9.541 18.127 ( 2.676 5.319 7.455) 9.541 18.366 ( 2.334 -0.710 6.781) 7.207 18.366 ( 2.334 0.710 6.781) 7.207 18.621 ( 5.807 -5.458 -1.250) 8.067 18.621 ( 5.807 5.458 -1.250) 8.067 18.772 ( 6.912 -0.496 -3.421) 7.728 18.772 ( 6.912 0.496 -3.421) 7.728 19.241 ( 0.232 -2.155 1.204) 2.480 19.241 ( 0.232 2.155 1.204) 2.480 22.108 ( 0.643 -3.192 0.651) 3.321 22.108 ( 0.643 3.192 0.651) 3.321 22.178 ( 3.430 -3.674 -2.076) 5.438 22.178 ( 3.430 3.674 -2.076) 5.438 22.589 ( -0.340 -0.342 -0.395) 0.623 22.589 ( -0.340 0.342 -0.395) 0.623 22.736 ( 1.090 -1.882 1.030) 2.406 22.736 ( 1.090 1.882 1.030) 2.406 27.222 ( -0.342 -0.342 -0.047) 0.486 27.222 ( -0.342 0.342 -0.047) 0.486 27.327 ( -2.894 -0.661 0.717) 3.054 27.327 ( -2.894 0.661 0.717) 3.054 27.647 ( -1.403 -0.172 -1.391) 1.983 27.647 ( -1.403 0.172 -1.391) 1.983 27.731 ( 0.086 -0.611 1.821) 1.922 27.731 ( 0.086 0.611 1.821) 1.922 35.694 ( -4.843 -2.571 1.534) 5.693 35.694 ( -4.843 2.571 1.534) 5.693 35.936 ( -0.240 -8.696 3.604) 9.416 35.936 ( -0.240 8.696 3.604) 9.416 36.711 ( -0.108 -5.694 3.870) 6.886 36.711 ( -0.108 5.694 3.870) 6.886 37.526 ( 2.618 -6.496 -1.760) 7.222 37.526 ( 2.618 6.496 -1.760) 7.222 37.861 ( -6.468 -16.420 4.653) 18.251 37.861 ( -6.468 16.420 4.653) 18.251 38.250 ( -9.713 -6.850 -10.606) 15.929 38.250 ( -9.713 6.850 -10.606) 15.929 39.084 ( -1.682 -13.455 15.371) 20.498 39.084 ( -1.682 13.455 15.371) 20.498 40.287 ( -8.072 -27.322 -11.436) 30.699 40.287 ( -8.072 27.322 -11.436) 30.699 ======================= Grid point 97 (51/84) ======================= q-point: (-0.09 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -11.158 -15.326 8.746) 20.878 1.640 ( -11.158 15.326 8.746) 20.878 1.977 ( -12.790 -19.224 9.558) 24.990 1.977 ( -12.790 19.224 9.558) 24.990 2.695 ( -0.354 -3.117 -7.487) 8.117 2.695 ( -0.354 3.117 -7.487) 8.117 2.954 ( -7.269 -8.876 0.993) 11.516 2.954 ( -7.269 8.876 0.993) 11.516 3.496 ( -10.590 -15.866 -5.272) 19.791 3.496 ( -10.590 15.866 -5.272) 19.791 3.592 ( -10.153 -17.841 7.629) 21.900 3.592 ( -10.153 17.841 7.629) 21.900 3.783 ( -1.395 -10.803 -13.004) 16.963 3.783 ( -1.395 10.803 -13.004) 16.963 4.198 ( 5.097 -4.305 1.015) 6.748 4.198 ( 5.097 4.305 1.015) 6.748 4.452 ( -6.401 -3.898 5.653) 9.387 4.452 ( -6.401 3.898 5.653) 9.387 4.701 ( -1.957 -5.233 4.830) 7.386 4.701 ( -1.957 5.233 4.830) 7.386 4.811 ( -0.004 -5.414 2.862) 6.124 4.811 ( -0.004 5.414 2.862) 6.124 4.985 ( -0.473 -11.444 3.471) 11.968 4.985 ( -0.473 11.444 3.471) 11.968 5.191 ( -7.953 -9.433 2.397) 12.569 5.191 ( -7.953 9.433 2.397) 12.569 5.266 ( -2.333 -6.703 4.558) 8.435 5.266 ( -2.333 6.703 4.558) 8.435 5.481 ( -0.265 -4.263 2.835) 5.126 5.481 ( -0.265 4.263 2.835) 5.126 5.601 ( 1.787 -5.788 -2.000) 6.380 5.601 ( 1.787 5.788 -2.000) 6.380 5.676 ( -2.173 -3.826 -1.378) 4.611 5.676 ( -2.173 3.826 -1.378) 4.611 5.954 ( 5.452 -0.840 3.163) 6.359 5.954 ( 5.452 0.840 3.163) 6.359 6.099 ( -2.646 -4.120 4.455) 6.620 6.099 ( -2.646 4.120 4.455) 6.620 6.244 ( 1.737 -1.024 -2.869) 3.507 6.244 ( 1.737 1.024 -2.869) 3.507 6.503 ( 7.121 -5.556 -2.501) 9.372 6.503 ( 7.121 5.556 -2.501) 9.372 6.692 ( -5.937 -2.827 3.515) 7.456 6.692 ( -5.937 2.827 3.515) 7.456 6.878 ( -0.273 -5.196 -4.497) 6.877 6.878 ( -0.273 5.196 -4.497) 6.877 7.049 ( 1.278 -6.875 -4.610) 8.376 7.049 ( 1.278 6.875 -4.610) 8.376 7.223 ( 3.115 -4.230 -3.991) 6.597 7.223 ( 3.115 4.230 -3.991) 6.597 7.482 ( 3.291 -6.214 -3.300) 7.768 7.482 ( 3.291 6.214 -3.300) 7.768 7.627 ( 0.665 -2.559 -5.913) 6.477 7.627 ( 0.665 2.559 -5.913) 6.477 7.759 ( -1.156 -0.308 0.284) 1.230 7.759 ( -1.156 0.308 0.284) 1.230 7.904 ( -1.251 -7.882 1.887) 8.201 7.904 ( -1.251 7.882 1.887) 8.201 8.280 ( -1.563 -8.406 4.204) 9.528 8.280 ( -1.563 8.406 4.204) 9.528 8.425 ( -1.773 -7.839 -3.077) 8.606 8.425 ( -1.773 7.839 -3.077) 8.606 8.603 ( 0.994 -9.343 2.766) 9.794 8.603 ( 0.994 9.343 2.766) 9.794 8.782 ( -0.567 -2.437 1.990) 3.197 8.782 ( -0.567 2.437 1.990) 3.197 8.923 ( 2.257 -2.705 1.815) 3.963 8.923 ( 2.257 2.705 1.815) 3.963 9.274 ( 0.252 -2.640 0.445) 2.689 9.274 ( 0.252 2.640 0.445) 2.689 9.500 ( 0.457 -2.937 1.564) 3.358 9.500 ( 0.457 2.937 1.564) 3.358 9.795 ( 3.865 -1.590 -3.034) 5.164 9.795 ( 3.865 1.590 -3.034) 5.164 9.973 ( 0.776 -6.149 1.204) 6.314 9.973 ( 0.776 6.149 1.204) 6.314 10.923 ( -11.590 -2.688 1.106) 11.949 10.923 ( -11.590 2.688 1.106) 11.949 11.315 ( -0.941 -2.752 3.545) 4.585 11.315 ( -0.941 2.752 3.545) 4.585 11.627 ( 3.763 -1.433 1.582) 4.326 11.627 ( 3.763 1.433 1.582) 4.326 11.785 ( -0.567 -2.900 -3.142) 4.313 11.785 ( -0.567 2.900 -3.142) 4.313 12.145 ( 0.241 -4.345 1.864) 4.734 12.145 ( 0.241 4.345 1.864) 4.734 12.252 ( -0.494 -1.495 -2.960) 3.352 12.252 ( -0.494 1.495 -2.960) 3.352 12.746 ( -0.361 -1.992 0.904) 2.217 12.746 ( -0.361 1.992 0.904) 2.217 12.923 ( -0.042 -5.981 -3.620) 6.991 12.923 ( -0.042 5.981 -3.620) 6.991 13.120 ( -2.977 -3.764 2.145) 5.257 13.120 ( -2.977 3.764 2.145) 5.257 13.393 ( 0.921 -2.683 -0.392) 2.863 13.393 ( 0.921 2.683 -0.392) 2.863 13.916 ( 2.441 -5.516 1.681) 6.262 13.916 ( 2.441 5.516 1.681) 6.262 14.123 ( 3.149 -0.366 0.240) 3.179 14.123 ( 3.149 0.366 0.240) 3.179 14.288 ( 1.299 -3.015 1.161) 3.482 14.288 ( 1.299 3.015 1.161) 3.482 14.649 ( -3.578 -4.616 -1.514) 6.034 14.649 ( -3.578 4.616 -1.514) 6.034 14.982 ( -2.560 -5.335 -4.039) 7.164 14.982 ( -2.560 5.335 -4.039) 7.164 15.349 ( 0.642 -10.909 3.675) 11.530 15.349 ( 0.642 10.909 3.675) 11.530 15.667 ( 5.985 -10.398 -0.968) 12.036 15.667 ( 5.985 10.398 -0.968) 12.036 15.949 ( 0.358 -2.684 -7.067) 7.568 15.949 ( 0.358 2.684 -7.067) 7.568 16.160 ( 2.430 -2.625 -1.813) 4.010 16.160 ( 2.430 2.625 -1.813) 4.010 16.565 ( 5.019 -5.851 2.994) 8.270 16.565 ( 5.019 5.851 2.994) 8.270 16.984 ( -1.660 -4.838 -3.376) 6.128 16.984 ( -1.660 4.838 -3.376) 6.128 17.332 ( 4.402 -5.907 1.501) 7.518 17.332 ( 4.402 5.907 1.501) 7.518 17.520 ( -3.378 -2.717 -2.001) 4.774 17.520 ( -3.378 2.717 -2.001) 4.774 17.754 ( 0.508 -3.283 -4.504) 5.597 17.754 ( 0.508 3.283 -4.504) 5.597 17.929 ( 0.846 -3.376 -5.590) 6.585 17.929 ( 0.846 3.376 -5.590) 6.585 18.186 ( -2.207 -4.499 10.030) 11.212 18.186 ( -2.207 4.499 10.030) 11.212 18.487 ( 6.721 -2.135 4.974) 8.630 18.487 ( 6.721 2.135 4.974) 8.630 18.716 ( 5.299 -5.125 -2.900) 7.922 18.716 ( 5.299 5.125 -2.900) 7.922 18.886 ( 5.962 -1.814 -1.173) 6.342 18.886 ( 5.962 1.814 -1.173) 6.342 19.235 ( -2.054 -0.541 1.799) 2.784 19.235 ( -2.054 0.541 1.799) 2.784 22.110 ( -0.348 -2.739 -1.109) 2.976 22.110 ( -0.348 2.739 -1.109) 2.976 22.243 ( 4.174 -1.561 -0.916) 4.549 22.243 ( 4.174 1.561 -0.916) 4.549 22.593 ( 0.614 -0.639 1.404) 1.661 22.593 ( 0.614 0.639 1.404) 1.661 22.751 ( 0.202 -1.900 0.179) 1.920 22.751 ( 0.202 1.900 0.179) 1.920 27.219 ( -0.075 -0.512 0.406) 0.658 27.219 ( -0.075 0.512 0.406) 0.658 27.280 ( -2.202 -0.506 0.003) 2.260 27.280 ( -2.202 0.506 0.003) 2.260 27.612 ( -1.388 -0.111 -1.303) 1.907 27.612 ( -1.388 0.111 -1.303) 1.907 27.750 ( 0.721 -0.423 2.814) 2.936 27.750 ( 0.721 0.423 2.814) 2.936 35.631 ( -2.531 -1.406 1.130) 3.108 35.631 ( -2.531 1.406 1.130) 3.108 35.956 ( 0.396 -7.952 3.248) 8.599 35.956 ( 0.396 7.952 3.248) 8.599 36.738 ( -0.330 -8.349 5.723) 10.127 36.738 ( -0.330 8.349 5.723) 10.127 37.527 ( -2.381 -9.072 1.042) 9.437 37.527 ( -2.381 9.072 1.042) 9.437 37.802 ( -1.749 -12.387 4.067) 13.154 37.802 ( -1.749 12.387 4.067) 13.154 38.020 ( -8.547 -5.052 -7.344) 12.349 38.020 ( -8.547 5.052 -7.344) 12.349 39.146 ( -2.224 -15.223 6.797) 16.819 39.146 ( -2.224 15.223 6.797) 16.819 40.027 ( -9.202 -14.084 -13.350) 21.477 40.027 ( -9.202 14.084 -13.350) 21.477 ======================= Grid point 110 (52/84) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -7.011 0.000 34.568) 35.272 1.784 ( -13.967 0.000 32.916) 35.756 2.175 ( 9.413 0.000 2.701) 9.793 2.288 ( 4.975 0.000 -27.787) 28.229 2.662 ( -2.802 0.000 21.467) 21.649 2.855 ( 1.049 0.000 -8.235) 8.301 2.991 ( 0.924 0.000 0.975) 1.343 3.113 ( 0.398 0.000 -8.302) 8.311 3.260 ( 8.224 0.000 7.994) 11.470 3.281 ( -12.369 0.000 -1.925) 12.518 3.306 ( 0.338 0.000 0.170) 0.378 3.675 ( 0.380 0.000 -8.848) 8.856 3.762 ( -4.289 0.000 7.216) 8.395 3.860 ( -4.037 0.000 6.247) 7.438 3.933 ( 3.341 0.000 -1.823) 3.806 3.997 ( 5.828 0.000 -10.837) 12.305 4.168 ( 6.578 0.000 -9.232) 11.336 4.306 ( 0.873 0.000 -25.722) 25.737 4.479 ( 9.721 0.000 1.705) 9.869 4.497 ( -11.454 0.000 0.065) 11.454 4.836 ( -2.200 0.000 5.191) 5.638 4.888 ( -0.920 0.000 -1.237) 1.542 5.049 ( -5.923 0.000 4.418) 7.389 5.086 ( 4.869 0.000 -0.078) 4.869 5.160 ( 8.729 0.000 4.830) 9.976 5.194 ( -5.370 0.000 7.245) 9.018 5.365 ( -3.032 0.000 -5.050) 5.890 5.368 ( -4.721 0.000 -8.733) 9.928 5.462 ( -0.732 0.000 1.588) 1.748 5.509 ( 1.097 0.000 -2.559) 2.784 5.686 ( -1.149 0.000 1.632) 1.996 5.717 ( 8.718 0.000 -3.073) 9.244 5.810 ( -1.894 0.000 2.792) 3.374 5.889 ( -3.979 0.000 -4.510) 6.014 6.032 ( -1.391 0.000 11.359) 11.444 6.111 ( -7.353 0.000 3.616) 8.194 6.185 ( 2.087 0.000 -0.009) 2.087 6.191 ( 6.536 0.000 -2.554) 7.018 6.230 ( -3.314 0.000 3.005) 4.474 6.284 ( 0.784 0.000 -1.979) 2.128 6.506 ( 5.245 0.000 3.181) 6.134 6.534 ( -9.081 0.000 2.590) 9.443 6.729 ( 10.207 0.000 0.207) 10.209 6.796 ( -3.470 0.000 -1.923) 3.967 6.877 ( 6.914 0.000 -3.095) 7.576 6.879 ( -4.933 0.000 4.315) 6.554 7.086 ( -0.775 0.000 0.032) 0.776 7.088 ( 3.986 0.000 2.309) 4.606 7.239 ( -5.932 0.000 2.519) 6.445 7.293 ( -2.568 0.000 -3.639) 4.454 7.406 ( -2.072 0.000 2.278) 3.080 7.406 ( 9.751 0.000 3.383) 10.321 7.515 ( -3.161 0.000 1.215) 3.387 7.600 ( 0.541 0.000 -6.268) 6.291 7.666 ( -0.804 0.000 4.138) 4.215 7.729 ( 1.281 0.000 -1.341) 1.855 7.894 ( 2.269 0.000 -5.028) 5.516 7.895 ( 2.198 0.000 -4.179) 4.721 8.116 ( 5.675 0.000 5.032) 7.584 8.256 ( -1.475 0.000 -2.317) 2.747 8.427 ( -0.819 0.000 2.438) 2.572 8.464 ( -0.286 0.000 -4.473) 4.482 8.715 ( -0.331 0.000 0.707) 0.781 8.777 ( -0.011 0.000 -5.867) 5.867 8.795 ( -4.767 0.000 8.065) 9.368 8.925 ( 0.265 0.000 3.198) 3.209 8.940 ( -1.874 0.000 0.950) 2.100 9.052 ( 1.652 0.000 -3.581) 3.944 9.107 ( 2.677 0.000 0.746) 2.780 9.117 ( -4.016 0.000 -0.315) 4.028 9.453 ( 3.871 0.000 0.868) 3.967 9.469 ( -4.167 0.000 -0.529) 4.201 9.758 ( 3.894 0.000 0.072) 3.895 9.775 ( -3.727 0.000 -1.855) 4.163 9.993 ( 6.181 0.000 3.169) 6.946 10.063 ( -6.605 0.000 -3.022) 7.263 10.781 ( 2.146 0.000 1.055) 2.391 10.813 ( -5.683 0.000 -1.909) 5.995 11.340 ( 2.599 0.000 2.993) 3.963 11.390 ( -3.890 0.000 -1.503) 4.170 11.688 ( -0.987 0.000 0.616) 1.164 11.693 ( 5.557 0.000 -0.095) 5.557 11.905 ( 1.858 0.000 2.867) 3.417 11.945 ( -0.431 0.000 -0.903) 1.001 12.085 ( 3.720 0.000 3.525) 5.125 12.101 ( -3.333 0.000 -1.082) 3.505 12.124 ( 1.320 0.000 -2.872) 3.161 12.171 ( -1.645 0.000 -4.129) 4.445 12.672 ( 0.366 0.000 -1.092) 1.151 12.672 ( -0.792 0.000 -1.408) 1.615 12.791 ( -2.553 0.000 2.828) 3.810 12.858 ( 2.348 0.000 -3.093) 3.883 13.184 ( -6.789 0.000 5.180) 8.539 13.275 ( 5.897 0.000 -2.709) 6.490 13.598 ( 5.302 0.000 6.570) 8.443 13.649 ( -1.659 0.000 3.791) 4.138 13.860 ( 3.407 0.000 1.448) 3.702 14.027 ( -2.861 0.000 -10.297) 10.687 14.062 ( -3.974 0.000 -0.198) 3.979 14.079 ( 0.325 0.000 -1.634) 1.666 14.185 ( -15.734 0.000 0.679) 15.749 14.217 ( 7.258 0.000 -3.224) 7.941 14.565 ( -1.267 0.000 2.231) 2.565 14.627 ( 4.102 0.000 -3.314) 5.273 14.867 ( 2.954 0.000 4.147) 5.092 14.920 ( -2.282 0.000 6.208) 6.614 15.067 ( -8.948 0.000 4.783) 10.146 15.382 ( 8.991 0.000 -15.267) 17.717 15.658 ( 8.118 0.000 3.298) 8.762 15.703 ( 2.228 0.000 -2.154) 3.099 15.932 ( -1.917 0.000 2.303) 2.997 15.991 ( 3.042 0.000 2.892) 4.197 16.007 ( -1.652 0.000 -4.206) 4.518 16.088 ( -5.448 0.000 -5.221) 7.546 16.688 ( 3.855 0.000 8.480) 9.315 16.854 ( -3.257 0.000 -5.780) 6.634 17.014 ( -0.670 0.000 4.280) 4.333 17.116 ( 1.037 0.000 -4.270) 4.394 17.181 ( 8.861 0.000 2.424) 9.187 17.254 ( -10.489 0.000 -3.000) 10.910 17.421 ( 0.816 0.000 2.563) 2.689 17.536 ( 0.867 0.000 -7.265) 7.317 17.689 ( 0.237 0.000 -1.344) 1.365 17.697 ( 0.825 0.000 -1.390) 1.616 17.851 ( 4.696 0.000 3.578) 5.904 17.913 ( -3.129 0.000 -2.151) 3.797 18.233 ( -1.164 0.000 7.351) 7.442 18.379 ( -1.330 0.000 -5.117) 5.287 18.491 ( -3.936 0.000 9.987) 10.734 18.667 ( 3.376 0.000 -3.086) 4.574 18.736 ( 5.713 0.000 -1.129) 5.824 18.775 ( -2.472 0.000 -2.825) 3.754 18.928 ( -5.992 0.000 5.779) 8.325 19.051 ( 6.305 0.000 -2.984) 6.975 19.131 ( 1.981 0.000 0.868) 2.163 19.169 ( -7.319 0.000 -0.773) 7.359 22.011 ( 0.585 0.000 0.316) 0.665 22.020 ( -0.554 0.000 -0.462) 0.722 22.327 ( -2.630 0.000 2.419) 3.573 22.388 ( 4.738 0.000 -3.220) 5.729 22.638 ( 0.397 0.000 1.669) 1.716 22.673 ( -0.800 0.000 -1.571) 1.763 22.738 ( 8.012 0.000 1.811) 8.214 22.766 ( -4.322 0.000 -0.734) 4.384 27.207 ( -2.042 0.000 0.602) 2.129 27.223 ( 2.307 0.000 -0.831) 2.452 27.247 ( -1.985 0.000 0.287) 2.005 27.254 ( 1.422 0.000 -0.310) 1.455 27.572 ( -0.650 0.000 -0.393) 0.760 27.573 ( 0.388 0.000 -0.439) 0.586 27.828 ( 0.748 0.000 1.533) 1.706 27.828 ( -0.194 0.000 1.504) 1.516 35.617 ( -5.056 0.000 4.083) 6.499 35.726 ( 8.374 0.000 -5.398) 9.963 35.977 ( 1.086 0.000 7.392) 7.472 36.090 ( -4.337 0.000 -2.866) 5.199 36.861 ( -4.612 0.000 7.783) 9.047 37.015 ( 2.801 0.000 -5.987) 6.610 37.429 ( 8.299 0.000 3.259) 8.916 37.507 ( -7.074 0.000 -3.894) 8.075 37.826 ( 7.948 0.000 3.875) 8.842 37.886 ( -2.961 0.000 -1.341) 3.250 38.008 ( -57.050 0.000 2.746) 57.116 38.073 ( 27.203 0.000 -2.948) 27.362 38.479 ( -4.292 0.000 -0.599) 4.334 38.553 ( 0.375 0.000 -7.429) 7.439 39.787 ( -8.077 0.000 9.967) 12.829 39.998 ( 17.609 0.000 -9.204) 19.870 ======================= Grid point 111 (53/84) ======================= q-point: ( 0.09 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -3.230 0.000 25.275) 25.480 1.869 ( 17.235 0.000 27.026) 32.054 2.368 ( 15.354 0.000 -25.609) 29.859 2.387 ( 10.819 0.000 2.436) 11.090 2.785 ( 4.808 0.000 2.495) 5.417 2.820 ( -0.211 0.000 -5.146) 5.151 3.018 ( 0.682 0.000 2.184) 2.288 3.148 ( -0.442 0.000 1.260) 1.335 3.153 ( 10.781 0.000 -9.425) 14.320 3.381 ( 5.884 0.000 7.118) 9.235 3.475 ( 3.810 0.000 26.629) 26.900 3.711 ( 6.588 0.000 -5.151) 8.363 3.750 ( 6.130 0.000 -2.484) 6.615 3.765 ( -4.407 0.000 -4.115) 6.029 4.009 ( 3.394 0.000 -2.331) 4.117 4.076 ( 2.297 0.000 -9.000) 9.289 4.271 ( 8.638 0.000 -4.322) 9.659 4.284 ( 11.477 0.000 -21.745) 24.588 4.350 ( -0.399 0.000 0.295) 0.496 4.670 ( 5.344 0.000 4.859) 7.223 4.844 ( -1.891 0.000 4.408) 4.797 4.858 ( 1.818 0.000 0.061) 1.819 5.015 ( -3.705 0.000 4.490) 5.821 5.123 ( -7.758 0.000 5.557) 9.543 5.152 ( -3.023 0.000 -4.767) 5.645 5.221 ( 6.876 0.000 0.052) 6.877 5.317 ( 4.253 0.000 3.476) 5.493 5.435 ( 6.144 0.000 2.409) 6.600 5.495 ( 4.431 0.000 -1.563) 4.698 5.568 ( 5.479 0.000 -2.792) 6.149 5.664 ( 0.424 0.000 -4.912) 4.930 5.744 ( -4.811 0.000 6.407) 8.012 5.794 ( 1.506 0.000 -1.912) 2.434 5.821 ( 1.051 0.000 -0.181) 1.066 6.011 ( -5.677 0.000 3.252) 6.542 6.083 ( 0.923 0.000 8.916) 8.964 6.145 ( -4.679 0.000 -0.498) 4.706 6.195 ( 0.168 0.000 -0.434) 0.465 6.249 ( -7.414 0.000 3.067) 8.024 6.308 ( 2.682 0.000 -0.512) 2.730 6.471 ( 2.638 0.000 0.549) 2.695 6.512 ( -5.563 0.000 1.735) 5.827 6.641 ( -5.995 0.000 -6.996) 9.213 6.796 ( -4.014 0.000 -0.766) 4.087 6.897 ( 6.530 0.000 -3.881) 7.596 6.914 ( -1.633 0.000 -4.352) 4.648 7.013 ( -2.580 0.000 0.593) 2.647 7.079 ( -5.057 0.000 1.189) 5.195 7.193 ( -3.231 0.000 2.856) 4.312 7.284 ( -0.375 0.000 5.893) 5.905 7.401 ( 2.531 0.000 -7.364) 7.786 7.481 ( -2.813 0.000 6.693) 7.260 7.550 ( 4.549 0.000 -1.215) 4.709 7.644 ( 5.913 0.000 -3.272) 6.758 7.689 ( 0.740 0.000 1.497) 1.669 7.753 ( 1.925 0.000 -1.238) 2.288 7.890 ( 0.940 0.000 -5.912) 5.987 7.941 ( 6.602 0.000 -6.398) 9.194 8.208 ( -1.140 0.000 -4.492) 4.634 8.212 ( 1.223 0.000 3.112) 3.344 8.404 ( -3.536 0.000 2.021) 4.072 8.421 ( -1.640 0.000 -4.145) 4.458 8.667 ( -7.753 0.000 5.827) 9.699 8.736 ( -2.491 0.000 -0.385) 2.521 8.752 ( -3.315 0.000 6.093) 6.936 8.898 ( -0.611 0.000 -1.191) 1.339 8.973 ( 3.001 0.000 3.128) 4.335 8.979 ( -4.931 0.000 -0.059) 4.931 9.109 ( 2.068 0.000 -1.289) 2.437 9.137 ( 0.075 0.000 1.141) 1.143 9.418 ( -2.181 0.000 -0.477) 2.232 9.554 ( 5.668 0.000 1.348) 5.826 9.691 ( -3.885 0.000 -1.817) 4.289 9.813 ( 1.861 0.000 0.324) 1.889 9.894 ( -9.154 0.000 -3.165) 9.686 10.084 ( 1.153 0.000 4.004) 4.167 10.847 ( 9.122 0.000 0.309) 9.127 10.928 ( 11.129 0.000 3.700) 11.728 11.356 ( 0.865 0.000 -0.766) 1.156 11.447 ( 6.488 0.000 4.163) 7.709 11.597 ( -6.445 0.000 -1.599) 6.640 11.707 ( -3.317 0.000 -3.714) 4.980 11.882 ( -6.911 0.000 -4.119) 8.046 11.942 ( 2.041 0.000 1.405) 2.478 12.099 ( -1.654 0.000 -3.003) 3.428 12.104 ( 2.748 0.000 -0.689) 2.833 12.121 ( -0.508 0.000 2.478) 2.529 12.189 ( 4.924 0.000 -0.853) 4.997 12.681 ( 2.333 0.000 -0.283) 2.350 12.686 ( 0.820 0.000 -0.383) 0.905 12.792 ( 1.148 0.000 3.204) 3.403 12.918 ( 5.661 0.000 -2.647) 6.249 13.087 ( -6.222 0.000 4.392) 7.616 13.351 ( 0.207 0.000 -1.657) 1.670 13.451 ( -11.431 0.000 -0.101) 11.431 13.627 ( -2.778 0.000 1.251) 3.046 13.860 ( -3.739 0.000 9.540) 10.246 13.877 ( -6.320 0.000 -8.910) 10.924 14.031 ( -6.602 0.000 1.726) 6.824 14.038 ( -5.026 0.000 0.440) 5.046 14.103 ( 7.137 0.000 1.085) 7.219 14.423 ( 10.666 0.000 3.069) 11.099 14.560 ( 1.488 0.000 0.893) 1.736 14.656 ( 1.958 0.000 -5.146) 5.506 14.910 ( -7.677 0.000 -2.236) 7.996 15.011 ( 9.566 0.000 2.947) 10.010 15.031 ( 6.701 0.000 11.795) 13.566 15.440 ( 0.939 0.000 -9.100) 9.148 15.730 ( 5.341 0.000 -15.693) 16.577 15.764 ( 3.263 0.000 -3.298) 4.640 15.928 ( -6.152 0.000 -2.208) 6.536 15.937 ( -0.928 0.000 5.391) 5.470 16.021 ( 2.533 0.000 -3.544) 4.356 16.065 ( 3.642 0.000 8.068) 8.852 16.709 ( -6.758 0.000 -9.443) 11.612 16.726 ( -6.023 0.000 8.665) 10.553 16.998 ( -13.380 0.000 -1.580) 13.473 17.003 ( -3.139 0.000 4.092) 5.157 17.108 ( 1.859 0.000 -3.706) 4.146 17.277 ( -0.933 0.000 4.008) 4.115 17.504 ( 5.086 0.000 0.550) 5.116 17.577 ( 4.688 0.000 -4.196) 6.292 17.681 ( -0.325 0.000 -2.038) 2.064 17.693 ( 0.731 0.000 -1.615) 1.773 17.846 ( -1.591 0.000 -4.340) 4.623 17.943 ( 3.076 0.000 2.200) 3.781 18.261 ( 0.336 0.000 7.183) 7.191 18.292 ( -5.294 0.000 -3.075) 6.122 18.501 ( -0.046 0.000 6.818) 6.818 18.652 ( -8.841 0.000 -3.683) 9.577 18.695 ( 0.447 0.000 -1.822) 1.876 18.762 ( -10.462 0.000 5.668) 11.899 18.806 ( -1.614 0.000 -3.714) 4.050 19.022 ( -7.040 0.000 2.312) 7.410 19.045 ( -2.590 0.000 -5.452) 6.036 19.188 ( 1.000 0.000 5.327) 5.420 22.007 ( -0.514 0.000 -0.536) 0.743 22.023 ( 0.449 0.000 0.414) 0.610 22.259 ( -5.044 0.000 0.670) 5.088 22.399 ( -0.908 0.000 -3.634) 3.745 22.637 ( -2.026 0.000 -1.801) 2.711 22.650 ( 0.038 0.000 1.955) 1.955 22.693 ( -2.342 0.000 -2.160) 3.186 22.861 ( 3.946 0.000 -1.113) 4.100 27.178 ( -1.182 0.000 0.307) 1.221 27.230 ( -0.320 0.000 0.584) 0.666 27.260 ( 2.048 0.000 -0.534) 2.116 27.302 ( 3.496 0.000 0.138) 3.499 27.566 ( 0.151 0.000 0.019) 0.152 27.587 ( 1.174 0.000 -0.127) 1.181 27.829 ( -0.268 0.000 0.361) 0.449 27.846 ( 0.591 0.000 0.382) 0.704 35.581 ( -0.139 0.000 1.949) 1.954 35.857 ( 7.654 0.000 -8.301) 11.291 36.036 ( 1.088 0.000 0.374) 1.150 36.050 ( 1.918 0.000 8.020) 8.246 36.734 ( -27.549 0.000 7.126) 28.456 36.747 ( -10.117 0.000 7.528) 12.610 37.375 ( -4.556 0.000 -3.861) 5.971 37.415 ( -4.631 0.000 9.573) 10.635 37.655 ( 11.034 0.000 2.957) 11.423 37.946 ( 7.102 0.000 -2.611) 7.567 37.987 ( 6.499 0.000 -5.029) 8.217 38.482 ( 3.818 0.000 4.785) 6.121 38.553 ( 6.433 0.000 -1.101) 6.527 38.828 ( 36.623 0.000 15.222) 39.661 39.654 ( -8.560 0.000 4.532) 9.686 40.193 ( 11.116 0.000 -17.943) 21.107 ======================= Grid point 112 (54/84) ======================= q-point: ( 0.18 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 7.282 0.000 14.014) 15.792 2.368 ( 19.370 0.000 20.498) 28.202 2.533 ( 15.010 0.000 -15.820) 21.807 2.571 ( 10.133 0.000 -3.776) 10.814 2.762 ( -2.808 0.000 0.058) 2.808 2.848 ( 3.607 0.000 -1.644) 3.964 3.073 ( 0.940 0.000 -5.394) 5.475 3.260 ( 10.981 0.000 10.228) 15.007 3.297 ( 7.561 0.000 -11.924) 14.120 3.543 ( 10.434 0.000 2.846) 10.815 3.698 ( 1.423 0.000 -4.546) 4.764 3.730 ( 7.130 0.000 16.057) 17.569 3.814 ( 3.340 0.000 -2.164) 3.980 3.966 ( 12.115 0.000 -4.640) 12.973 4.024 ( 1.292 0.000 -8.540) 8.637 4.108 ( 14.468 0.000 10.032) 17.606 4.333 ( 7.005 0.000 -14.658) 16.246 4.364 ( -0.042 0.000 -0.769) 0.771 4.540 ( 6.539 0.000 -1.906) 6.811 4.728 ( 2.874 0.000 7.266) 7.814 4.736 ( -2.086 0.000 4.306) 4.785 4.923 ( -0.210 0.000 -0.647) 0.680 5.015 ( 2.661 0.000 3.985) 4.792 5.077 ( -1.835 0.000 -3.459) 3.916 5.144 ( 1.684 0.000 5.045) 5.319 5.296 ( -1.142 0.000 -3.427) 3.613 5.442 ( -4.127 0.000 2.447) 4.798 5.474 ( 10.941 0.000 3.878) 11.608 5.533 ( 3.566 0.000 0.576) 3.612 5.547 ( -4.344 0.000 1.492) 4.593 5.738 ( 0.169 0.000 -2.539) 2.545 5.766 ( -5.768 0.000 2.070) 6.128 5.843 ( 6.549 0.000 -3.569) 7.458 5.922 ( 10.918 0.000 -3.064) 11.339 5.964 ( -0.432 0.000 11.190) 11.198 6.077 ( 0.172 0.000 4.406) 4.409 6.154 ( -4.862 0.000 -6.778) 8.342 6.158 ( -3.173 0.000 2.745) 4.196 6.166 ( 0.708 0.000 2.076) 2.194 6.255 ( 6.316 0.000 -4.730) 7.891 6.435 ( -4.244 0.000 -10.033) 10.893 6.463 ( -1.442 0.000 6.791) 6.943 6.639 ( 4.699 0.000 0.772) 4.762 6.727 ( -1.349 0.000 -2.775) 3.085 6.785 ( -8.194 0.000 -5.985) 10.147 6.992 ( 7.282 0.000 -3.139) 7.930 7.002 ( -2.638 0.000 3.449) 4.342 7.007 ( 0.124 0.000 -1.053) 1.061 7.127 ( -3.630 0.000 -0.042) 3.630 7.299 ( -2.806 0.000 7.041) 7.580 7.425 ( 3.873 0.000 -7.784) 8.694 7.446 ( -3.888 0.000 6.014) 7.162 7.607 ( 3.204 0.000 -1.682) 3.618 7.691 ( -1.380 0.000 2.319) 2.699 7.697 ( 0.886 0.000 -2.924) 3.055 7.744 ( -0.512 0.000 -8.160) 8.176 7.917 ( 3.591 0.000 -2.051) 4.136 8.073 ( 10.047 0.000 -5.623) 11.514 8.158 ( -3.629 0.000 0.294) 3.641 8.189 ( -4.859 0.000 2.478) 5.454 8.287 ( -8.949 0.000 -0.826) 8.987 8.399 ( 4.447 0.000 -8.703) 9.773 8.542 ( -7.941 0.000 8.039) 11.300 8.711 ( -5.102 0.000 8.867) 10.230 8.723 ( 0.407 0.000 4.706) 4.724 8.877 ( -0.093 0.000 -6.163) 6.164 8.960 ( 1.656 0.000 1.302) 2.107 9.084 ( 5.509 0.000 4.959) 7.412 9.118 ( -0.622 0.000 -1.676) 1.787 9.148 ( 0.955 0.000 1.540) 1.812 9.370 ( -2.597 0.000 0.638) 2.674 9.617 ( -2.693 0.000 -2.901) 3.959 9.644 ( 2.570 0.000 -1.135) 2.809 9.714 ( -7.590 0.000 -0.925) 7.646 9.829 ( -0.102 0.000 -0.092) 0.137 10.089 ( -2.497 0.000 4.088) 4.790 11.084 ( 13.913 0.000 0.211) 13.915 11.162 ( 8.341 0.000 5.569) 10.029 11.375 ( 1.532 0.000 -2.396) 2.843 11.539 ( 2.364 0.000 3.586) 4.295 11.586 ( -2.633 0.000 -3.697) 4.538 11.613 ( 5.235 0.000 4.567) 6.947 11.693 ( -8.975 0.000 -6.289) 10.960 11.960 ( -0.484 0.000 -0.859) 0.986 12.016 ( -2.636 0.000 -6.246) 6.780 12.136 ( 0.945 0.000 3.045) 3.188 12.208 ( 5.361 0.000 1.166) 5.486 12.258 ( 2.712 0.000 -1.007) 2.892 12.682 ( -1.097 0.000 -0.100) 1.101 12.745 ( 4.285 0.000 -0.243) 4.292 12.855 ( 2.847 0.000 4.146) 5.029 12.991 ( -3.732 0.000 2.539) 4.514 13.055 ( 7.809 0.000 -1.594) 7.970 13.177 ( -8.769 0.000 1.501) 8.896 13.474 ( 4.247 0.000 -1.224) 4.420 13.537 ( -5.505 0.000 -4.664) 7.215 13.760 ( -2.583 0.000 -0.801) 2.704 13.818 ( -5.378 0.000 7.174) 8.966 13.902 ( -7.851 0.000 0.241) 7.855 13.914 ( -8.200 0.000 1.101) 8.273 14.255 ( 7.999 0.000 0.956) 8.056 14.476 ( -2.673 0.000 -4.100) 4.895 14.666 ( 2.287 0.000 -4.772) 5.292 14.671 ( 3.598 0.000 -0.309) 3.611 14.809 ( -0.068 0.000 6.081) 6.082 15.181 ( 4.533 0.000 -1.085) 4.662 15.202 ( 3.903 0.000 8.675) 9.512 15.375 ( -0.123 0.000 -1.807) 1.811 15.682 ( -3.674 0.000 -11.813) 12.371 15.783 ( 0.559 0.000 -0.444) 0.714 15.829 ( -0.515 0.000 -9.153) 9.167 15.895 ( -6.921 0.000 5.016) 8.547 16.059 ( 0.549 0.000 -0.201) 0.585 16.212 ( 4.743 0.000 6.568) 8.102 16.533 ( -4.606 0.000 -14.409) 15.127 16.549 ( -12.523 0.000 6.363) 14.047 16.820 ( -7.691 0.000 5.636) 9.535 16.965 ( -2.540 0.000 4.290) 4.986 17.151 ( 3.884 0.000 -4.116) 5.659 17.243 ( -4.363 0.000 5.882) 7.323 17.576 ( 2.443 0.000 -0.828) 2.580 17.576 ( -2.145 0.000 0.854) 2.309 17.650 ( -1.411 0.000 -3.401) 3.682 17.723 ( 1.847 0.000 -3.426) 3.892 17.798 ( -2.555 0.000 -3.895) 4.658 17.975 ( -0.973 0.000 1.130) 1.491 18.178 ( -4.478 0.000 -3.184) 5.494 18.320 ( 2.735 0.000 3.883) 4.749 18.435 ( -10.982 0.000 -2.716) 11.313 18.498 ( -15.819 0.000 5.051) 16.606 18.542 ( 0.371 0.000 4.958) 4.972 18.665 ( -3.870 0.000 -0.194) 3.875 18.769 ( -1.876 0.000 -5.139) 5.470 18.940 ( -5.031 0.000 -5.743) 7.635 18.967 ( -0.640 0.000 2.470) 2.551 19.212 ( -1.105 0.000 5.176) 5.293 21.996 ( -0.430 0.000 -0.537) 0.688 22.031 ( 0.169 0.000 0.460) 0.490 22.173 ( -3.752 0.000 -0.339) 3.767 22.340 ( -3.104 0.000 -2.840) 4.207 22.594 ( -1.310 0.000 -1.727) 2.168 22.650 ( -1.477 0.000 -1.632) 2.202 22.659 ( -0.059 0.000 1.460) 1.461 22.878 ( -1.023 0.000 -0.574) 1.173 27.173 ( 0.438 0.000 0.564) 0.714 27.237 ( 0.645 0.000 0.536) 0.839 27.297 ( 2.036 0.000 -0.109) 2.039 27.369 ( 3.277 0.000 0.218) 3.285 27.576 ( 0.758 0.000 0.397) 0.855 27.610 ( 1.217 0.000 0.069) 1.219 27.821 ( -0.515 0.000 -0.555) 0.757 27.849 ( -0.293 0.000 -0.549) 0.622 35.633 ( 4.961 0.000 0.022) 4.961 35.883 ( 0.757 0.000 -4.360) 4.425 36.106 ( -1.338 0.000 8.601) 8.705 36.164 ( 11.180 0.000 -3.555) 11.732 36.415 ( -11.028 0.000 9.641) 14.648 36.608 ( -8.847 0.000 9.023) 12.637 37.287 ( -3.111 0.000 -5.271) 6.120 37.458 ( 0.796 0.000 7.846) 7.887 37.818 ( 3.782 0.000 0.743) 3.854 38.059 ( 7.465 0.000 -8.400) 11.237 38.141 ( 14.829 0.000 -5.464) 15.804 38.650 ( 9.069 0.000 8.922) 12.722 38.672 ( 6.377 0.000 3.694) 7.370 39.299 ( 1.395 0.000 2.886) 3.205 39.761 ( 17.992 0.000 21.659) 28.156 40.251 ( 7.379 0.000 -21.112) 22.364 ======================= Grid point 113 (55/84) ======================= q-point: ( 0.27 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 9.046 0.000 3.923) 9.860 2.590 ( 0.713 0.000 5.462) 5.509 2.713 ( 1.638 0.000 -8.307) 8.467 2.810 ( 12.608 0.000 12.716) 17.907 2.818 ( 10.555 0.000 -5.711) 12.001 2.994 ( 14.623 0.000 10.792) 18.174 3.087 ( 8.651 0.000 -9.472) 12.828 3.373 ( 7.870 0.000 -9.086) 12.020 3.519 ( 8.581 0.000 9.323) 12.671 3.588 ( -4.153 0.000 -7.472) 8.548 3.765 ( 6.966 0.000 -1.893) 7.219 3.783 ( -2.832 0.000 -7.666) 8.172 4.023 ( 16.832 0.000 10.528) 19.853 4.067 ( 3.003 0.000 -0.624) 3.067 4.115 ( 11.426 0.000 -11.760) 16.396 4.248 ( -5.315 0.000 -2.666) 5.946 4.311 ( -3.519 0.000 3.444) 4.924 4.568 ( 10.910 0.000 11.674) 15.978 4.595 ( 8.947 0.000 -3.588) 9.640 4.813 ( 1.459 0.000 6.467) 6.629 4.880 ( 7.585 0.000 -0.237) 7.589 4.900 ( 1.734 0.000 1.685) 2.418 5.047 ( 1.832 0.000 -2.860) 3.396 5.064 ( 0.964 0.000 -4.051) 4.164 5.188 ( 1.116 0.000 3.829) 3.988 5.217 ( -3.449 0.000 -2.255) 4.121 5.428 ( -2.577 0.000 7.733) 8.151 5.437 ( -5.679 0.000 0.390) 5.692 5.520 ( -5.887 0.000 -1.209) 6.010 5.644 ( -4.887 0.000 0.848) 4.960 5.668 ( 3.823 0.000 -0.507) 3.857 5.718 ( -2.004 0.000 -6.518) 6.820 5.811 ( -5.453 0.000 -0.660) 5.493 5.830 ( -5.953 0.000 -1.736) 6.201 5.982 ( -2.643 0.000 4.587) 5.294 6.059 ( -1.529 0.000 -0.474) 1.601 6.224 ( 3.035 0.000 -1.011) 3.199 6.244 ( -1.871 0.000 0.928) 2.089 6.278 ( 6.739 0.000 6.078) 9.075 6.381 ( 12.180 0.000 -1.677) 12.295 6.407 ( 5.128 0.000 -3.822) 6.396 6.583 ( -7.431 0.000 0.684) 7.462 6.585 ( 13.319 0.000 1.754) 13.434 6.724 ( 2.853 0.000 -2.331) 3.684 6.751 ( 5.388 0.000 3.346) 6.343 6.980 ( -0.082 0.000 -0.931) 0.935 7.007 ( -0.550 0.000 1.899) 1.977 7.093 ( -0.020 0.000 2.743) 2.743 7.162 ( 10.943 0.000 -4.088) 11.682 7.253 ( -3.306 0.000 6.292) 7.108 7.433 ( 0.353 0.000 0.887) 0.955 7.449 ( 3.631 0.000 -10.937) 11.524 7.616 ( -3.675 0.000 -5.681) 6.766 7.647 ( 1.663 0.000 -3.301) 3.697 7.679 ( -0.700 0.000 2.929) 3.011 7.766 ( 4.718 0.000 -4.204) 6.320 7.915 ( -3.156 0.000 -1.505) 3.496 8.026 ( -12.908 0.000 1.465) 12.991 8.091 ( -2.965 0.000 0.724) 3.052 8.127 ( -4.228 0.000 -1.006) 4.346 8.244 ( 7.135 0.000 -2.728) 7.638 8.498 ( 0.087 0.000 7.270) 7.271 8.507 ( 8.552 0.000 -5.332) 10.078 8.668 ( -3.208 0.000 6.588) 7.327 8.782 ( 3.218 0.000 3.363) 4.655 8.827 ( -1.921 0.000 -6.122) 6.416 9.003 ( 0.136 0.000 2.626) 2.629 9.083 ( -0.071 0.000 -2.495) 2.496 9.169 ( 2.337 0.000 -0.331) 2.360 9.197 ( 0.866 0.000 5.299) 5.369 9.346 ( -1.093 0.000 3.578) 3.741 9.568 ( -0.630 0.000 -3.336) 3.395 9.572 ( -2.211 0.000 -2.753) 3.531 9.699 ( 0.322 0.000 -0.181) 0.370 9.822 ( -0.159 0.000 0.090) 0.183 10.042 ( -4.514 0.000 3.246) 5.560 11.187 ( -4.503 0.000 4.364) 6.271 11.251 ( 1.955 0.000 -3.090) 3.657 11.444 ( -2.103 0.000 -5.521) 5.908 11.552 ( 4.799 0.000 -0.994) 4.901 11.566 ( 6.118 0.000 -0.895) 6.183 11.693 ( 8.474 0.000 7.091) 11.049 11.764 ( 4.793 0.000 4.415) 6.516 11.945 ( -0.716 0.000 -4.919) 4.971 11.945 ( 0.414 0.000 -2.925) 2.954 12.184 ( 2.587 0.000 1.696) 3.093 12.273 ( -0.451 0.000 -0.649) 0.791 12.295 ( 3.718 0.000 -0.689) 3.781 12.646 ( -2.657 0.000 0.090) 2.658 12.820 ( 3.750 0.000 -1.556) 4.060 12.922 ( 1.889 0.000 4.014) 4.436 12.929 ( -3.270 0.000 2.139) 3.907 13.083 ( -3.918 0.000 3.908) 5.534 13.165 ( 1.699 0.000 -6.757) 6.968 13.477 ( 3.693 0.000 2.541) 4.483 13.494 ( -3.025 0.000 -0.406) 3.052 13.752 ( -5.538 0.000 1.503) 5.738 13.763 ( -5.513 0.000 -3.052) 6.302 13.767 ( -1.683 0.000 1.329) 2.145 13.776 ( 0.081 0.000 1.465) 1.468 14.330 ( -8.164 0.000 -7.342) 10.980 14.395 ( 6.590 0.000 0.056) 6.590 14.696 ( 3.289 0.000 -3.792) 5.020 14.697 ( 1.684 0.000 2.714) 3.194 14.916 ( 3.834 0.000 5.873) 7.014 15.146 ( -3.292 0.000 -1.725) 3.717 15.249 ( -2.056 0.000 5.021) 5.426 15.423 ( -1.762 0.000 1.505) 2.317 15.538 ( -2.619 0.000 -7.958) 8.378 15.711 ( -15.237 0.000 3.901) 15.728 15.777 ( -0.689 0.000 -8.594) 8.621 15.784 ( -2.145 0.000 4.641) 5.113 16.006 ( -5.969 0.000 2.212) 6.365 16.170 ( -6.722 0.000 -0.737) 6.762 16.417 ( 1.055 0.000 -18.333) 18.364 16.524 ( 1.179 0.000 3.527) 3.719 16.736 ( -5.182 0.000 13.403) 14.370 16.965 ( -0.556 0.000 5.696) 5.723 17.177 ( 1.249 0.000 -5.017) 5.170 17.198 ( -3.581 0.000 6.063) 7.041 17.551 ( -0.991 0.000 1.829) 2.080 17.578 ( -0.035 0.000 -5.705) 5.705 17.617 ( -0.761 0.000 -0.109) 0.769 17.682 ( -6.544 0.000 -2.010) 6.846 17.708 ( -2.602 0.000 -1.711) 3.114 17.920 ( -4.431 0.000 -0.432) 4.452 18.100 ( -3.208 0.000 -0.198) 3.214 18.276 ( -4.235 0.000 -1.676) 4.555 18.278 ( -8.422 0.000 4.582) 9.588 18.404 ( 3.062 0.000 0.025) 3.062 18.560 ( -0.748 0.000 2.915) 3.009 18.562 ( -6.529 0.000 -0.886) 6.589 18.693 ( -3.537 0.000 -3.551) 5.012 18.814 ( -5.179 0.000 -5.485) 7.543 18.996 ( 2.059 0.000 1.218) 2.393 19.208 ( -1.687 0.000 3.592) 3.969 21.987 ( -0.199 0.000 -0.436) 0.479 22.033 ( -0.181 0.000 0.346) 0.391 22.122 ( -1.877 0.000 0.357) 1.910 22.267 ( -3.221 0.000 -2.084) 3.836 22.572 ( -0.309 0.000 -0.844) 0.899 22.620 ( -0.982 0.000 -0.803) 1.269 22.661 ( -0.387 0.000 0.640) 0.747 22.836 ( -2.986 0.000 -0.209) 2.993 27.198 ( 1.715 0.000 0.913) 1.943 27.259 ( 1.427 0.000 0.496) 1.511 27.329 ( 1.308 0.000 0.022) 1.308 27.416 ( 1.640 0.000 -0.096) 1.643 27.596 ( 1.015 0.000 0.562) 1.161 27.630 ( 0.898 0.000 0.130) 0.908 27.807 ( -0.535 0.000 -0.895) 1.042 27.832 ( -0.995 0.000 -0.896) 1.339 35.750 ( 7.134 0.000 -0.365) 7.143 35.882 ( 1.019 0.000 -1.897) 2.153 36.098 ( -2.537 0.000 6.562) 7.036 36.333 ( 7.575 0.000 -6.230) 9.808 36.368 ( -1.173 0.000 7.416) 7.508 36.544 ( -2.274 0.000 11.467) 11.691 37.184 ( -4.398 0.000 -8.157) 9.267 37.468 ( -4.369 0.000 6.106) 7.508 37.858 ( 1.675 0.000 1.597) 2.314 38.122 ( 4.954 0.000 -10.869) 11.945 38.437 ( 17.663 0.000 -2.431) 17.829 38.818 ( 6.003 0.000 6.650) 8.959 38.862 ( 7.695 0.000 9.576) 12.284 39.274 ( 1.227 0.000 -6.313) 6.431 40.167 ( 8.673 0.000 24.657) 26.138 40.281 ( 8.203 0.000 -20.306) 21.901 ======================= Grid point 114 (56/84) ======================= q-point: ( 0.36 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 8.266 0.000 0.662) 8.293 2.578 ( -3.036 0.000 1.020) 3.203 2.673 ( -1.499 0.000 1.999) 2.499 2.916 ( 4.445 0.000 -0.401) 4.464 3.146 ( 12.027 0.000 16.329) 20.280 3.316 ( 19.464 0.000 -10.096) 21.927 3.350 ( 13.700 0.000 6.938) 15.356 3.425 ( -5.207 0.000 -9.593) 10.916 3.503 ( 11.282 0.000 -12.125) 16.562 3.645 ( -2.821 0.000 -6.955) 7.505 3.662 ( -1.196 0.000 6.687) 6.793 3.861 ( 1.163 0.000 1.674) 2.039 4.080 ( -9.414 0.000 -0.116) 9.414 4.116 ( 7.389 0.000 -0.539) 7.409 4.259 ( 6.785 0.000 -7.341) 9.996 4.372 ( 12.415 0.000 9.000) 15.334 4.385 ( 5.913 0.000 4.856) 7.651 4.559 ( -4.595 0.000 -4.852) 6.682 4.762 ( 6.856 0.000 2.255) 7.217 4.805 ( -3.317 0.000 3.551) 4.859 4.974 ( 3.801 0.000 -3.048) 4.872 5.000 ( -4.609 0.000 -5.549) 7.214 5.009 ( -2.545 0.000 -5.875) 6.403 5.104 ( 10.201 0.000 4.194) 11.030 5.188 ( -4.901 0.000 -0.938) 4.990 5.190 ( -2.491 0.000 -1.863) 3.110 5.330 ( -0.537 0.000 1.314) 1.420 5.399 ( 2.792 0.000 0.809) 2.907 5.435 ( -13.183 0.000 4.191) 13.833 5.549 ( -1.638 0.000 3.871) 4.204 5.569 ( -7.375 0.000 -5.273) 9.066 5.666 ( 1.546 0.000 1.207) 1.961 5.708 ( -2.824 0.000 -1.647) 3.269 5.930 ( 6.239 0.000 -1.217) 6.357 5.998 ( -2.272 0.000 -4.663) 5.187 6.013 ( 5.173 0.000 2.320) 5.670 6.137 ( -4.779 0.000 -0.012) 4.779 6.236 ( -0.864 0.000 0.707) 1.116 6.282 ( -9.585 0.000 0.012) 9.585 6.460 ( 1.086 0.000 3.908) 4.056 6.516 ( 5.874 0.000 7.482) 9.512 6.618 ( -3.902 0.000 -6.258) 7.375 6.666 ( 2.232 0.000 10.390) 10.627 6.864 ( 7.310 0.000 -0.992) 7.377 6.932 ( 10.275 0.000 6.396) 12.103 7.012 ( 1.432 0.000 2.842) 3.183 7.019 ( 1.906 0.000 3.852) 4.297 7.134 ( 3.107 0.000 2.844) 4.212 7.228 ( 0.149 0.000 5.337) 5.339 7.365 ( 2.420 0.000 1.164) 2.685 7.436 ( 1.632 0.000 -13.140) 13.241 7.518 ( 13.000 0.000 -6.290) 14.442 7.570 ( 1.086 0.000 -2.331) 2.572 7.633 ( -0.582 0.000 -4.280) 4.320 7.690 ( 2.654 0.000 -5.832) 6.408 7.804 ( -4.890 0.000 -0.517) 4.917 7.809 ( -8.216 0.000 -2.614) 8.622 7.833 ( 0.556 0.000 -0.454) 0.718 8.079 ( 1.623 0.000 0.641) 1.745 8.081 ( 2.042 0.000 -1.410) 2.481 8.320 ( 0.607 0.000 0.745) 0.961 8.486 ( -10.326 0.000 12.329) 16.082 8.617 ( 5.343 0.000 2.896) 6.077 8.731 ( 8.905 0.000 -10.770) 13.975 8.743 ( -3.337 0.000 -5.688) 6.595 8.859 ( 3.524 0.000 -0.705) 3.593 8.990 ( 0.154 0.000 0.761) 0.776 9.135 ( 5.362 0.000 -0.129) 5.363 9.169 ( -2.579 0.000 2.391) 3.517 9.225 ( 1.208 0.000 1.165) 1.679 9.367 ( 0.378 0.000 7.645) 7.654 9.562 ( 1.350 0.000 -2.316) 2.681 9.581 ( 1.848 0.000 0.307) 1.873 9.686 ( 0.226 0.000 -3.078) 3.086 9.828 ( 0.167 0.000 1.116) 1.129 9.964 ( -4.848 0.000 1.730) 5.147 11.144 ( -2.619 0.000 6.247) 6.774 11.191 ( -3.343 0.000 -4.323) 5.465 11.316 ( -4.414 0.000 -6.410) 7.783 11.675 ( 5.353 0.000 1.733) 5.627 11.731 ( 7.091 0.000 1.320) 7.213 11.769 ( -2.705 0.000 -6.580) 7.115 11.895 ( 4.715 0.000 2.613) 5.391 11.929 ( 6.880 0.000 0.619) 6.908 12.019 ( 4.516 0.000 4.689) 6.510 12.185 ( -2.992 0.000 -2.466) 3.877 12.300 ( 2.880 0.000 3.098) 4.230 12.333 ( 1.134 0.000 -2.030) 2.325 12.607 ( -0.628 0.000 0.549) 0.834 12.840 ( -0.451 0.000 -1.251) 1.329 12.915 ( 0.438 0.000 -0.600) 0.742 12.959 ( -0.854 0.000 4.504) 4.584 13.046 ( -2.341 0.000 4.721) 5.269 13.089 ( -1.990 0.000 -6.468) 6.767 13.387 ( -5.855 0.000 -2.308) 6.294 13.583 ( -9.738 0.000 -0.250) 9.741 13.604 ( 2.153 0.000 4.698) 5.168 13.676 ( -1.694 0.000 -4.974) 5.255 13.846 ( 6.377 0.000 -1.340) 6.516 13.869 ( 8.719 0.000 1.868) 8.917 14.178 ( -3.058 0.000 -2.514) 3.959 14.494 ( 4.606 0.000 -2.309) 5.153 14.726 ( 1.256 0.000 -4.342) 4.520 14.757 ( 1.589 0.000 4.465) 4.739 14.971 ( 0.578 0.000 0.913) 1.080 15.105 ( -1.128 0.000 3.618) 3.789 15.207 ( -4.919 0.000 5.057) 7.055 15.294 ( -8.496 0.000 1.973) 8.722 15.428 ( -15.440 0.000 5.833) 16.505 15.497 ( 0.908 0.000 -13.981) 14.011 15.708 ( -4.469 0.000 0.910) 4.561 15.758 ( -3.325 0.000 5.197) 6.170 15.929 ( -2.272 0.000 1.432) 2.686 16.069 ( -3.762 0.000 -1.512) 4.054 16.342 ( 0.082 0.000 -16.716) 16.716 16.428 ( -9.011 0.000 -4.694) 10.161 16.821 ( 3.391 0.000 15.571) 15.936 16.985 ( -1.386 0.000 7.324) 7.454 17.154 ( -0.877 0.000 -3.112) 3.233 17.176 ( -1.899 0.000 4.732) 5.098 17.550 ( 0.582 0.000 -5.810) 5.839 17.556 ( 0.092 0.000 0.470) 0.479 17.586 ( -1.690 0.000 1.784) 2.458 17.607 ( 0.090 0.000 -1.229) 1.232 17.640 ( -3.394 0.000 -2.414) 4.165 17.834 ( -3.824 0.000 -1.860) 4.253 18.072 ( -0.910 0.000 4.376) 4.470 18.206 ( -1.232 0.000 0.494) 1.327 18.232 ( -0.677 0.000 -1.258) 1.429 18.429 ( -6.145 0.000 0.823) 6.200 18.444 ( 0.087 0.000 -0.778) 0.782 18.550 ( -1.203 0.000 1.061) 1.604 18.610 ( -3.415 0.000 -2.663) 4.331 18.696 ( -4.446 0.000 -5.148) 6.802 19.044 ( 2.403 0.000 0.891) 2.563 19.189 ( -1.707 0.000 1.300) 2.145 21.985 ( 0.211 0.000 -0.272) 0.344 22.026 ( -0.684 0.000 -0.000) 0.684 22.104 ( -0.646 0.000 1.240) 1.398 22.204 ( -2.387 0.000 -1.600) 2.874 22.573 ( 0.483 0.000 0.188) 0.518 22.609 ( 0.042 0.000 0.192) 0.197 22.651 ( -0.713 0.000 -0.209) 0.743 22.774 ( -3.420 0.000 -0.468) 3.452 27.239 ( 2.078 0.000 1.020) 2.315 27.294 ( 1.975 0.000 0.824) 2.140 27.341 ( 0.101 0.000 -0.215) 0.238 27.428 ( -0.146 0.000 -0.603) 0.621 27.618 ( 1.119 0.000 0.490) 1.222 27.644 ( 0.595 0.000 0.054) 0.598 27.793 ( -0.561 0.000 -0.687) 0.887 27.807 ( -1.171 0.000 -0.760) 1.396 35.860 ( 3.119 0.000 2.294) 3.871 35.899 ( 1.479 0.000 -0.806) 1.685 36.126 ( 4.287 0.000 1.001) 4.402 36.345 ( -3.029 0.000 1.852) 3.551 36.399 ( -0.001 0.000 7.082) 7.082 36.646 ( 5.617 0.000 3.344) 6.537 37.060 ( -2.213 0.000 -10.184) 10.421 37.361 ( -9.365 0.000 3.788) 10.102 37.912 ( 2.103 0.000 4.176) 4.676 38.144 ( 3.565 0.000 -10.076) 10.688 38.732 ( 14.532 0.000 -0.657) 14.547 38.943 ( 3.364 0.000 6.410) 7.239 39.017 ( 3.644 0.000 8.873) 9.592 39.291 ( 4.230 0.000 -8.965) 9.913 40.331 ( -2.510 0.000 19.084) 19.248 40.355 ( 10.304 0.000 -17.121) 19.983 ======================= Grid point 115 (57/84) ======================= q-point: ( 0.45 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 5.148 0.000 -0.658) 5.189 2.510 ( -4.201 0.000 0.011) 4.201 2.731 ( 4.862 0.000 8.579) 9.861 2.954 ( -1.531 0.000 -1.133) 1.905 3.292 ( -5.438 0.000 8.298) 9.921 3.332 ( 0.267 0.000 -3.262) 3.273 3.482 ( -3.407 0.000 2.373) 4.152 3.490 ( 3.629 0.000 -8.175) 8.945 3.679 ( 18.371 0.000 -13.797) 22.975 3.694 ( 9.100 0.000 -3.446) 9.731 3.717 ( 1.540 0.000 4.338) 4.603 3.869 ( -10.316 0.000 -0.808) 10.347 3.898 ( 2.262 0.000 11.622) 11.840 4.305 ( 1.490 0.000 -4.210) 4.466 4.331 ( 12.537 0.000 1.794) 12.665 4.432 ( -4.930 0.000 -4.763) 6.855 4.455 ( -0.310 0.000 -0.986) 1.034 4.605 ( 7.721 0.000 3.775) 8.594 4.728 ( -6.148 0.000 -3.563) 7.105 4.786 ( -5.324 0.000 -0.182) 5.327 4.861 ( -5.962 0.000 -2.846) 6.606 4.896 ( -1.526 0.000 -4.428) 4.683 5.077 ( 4.389 0.000 2.108) 4.869 5.111 ( -1.590 0.000 0.558) 1.685 5.151 ( 0.934 0.000 1.729) 1.965 5.245 ( -6.115 0.000 5.249) 8.059 5.292 ( 6.975 0.000 -0.300) 6.981 5.350 ( -8.735 0.000 -1.047) 8.797 5.409 ( 5.949 0.000 1.266) 6.082 5.506 ( -8.106 0.000 1.165) 8.189 5.550 ( -2.517 0.000 5.273) 5.843 5.579 ( 8.489 0.000 -5.233) 9.973 5.795 ( 2.043 0.000 -6.341) 6.662 5.886 ( -4.996 0.000 -5.090) 7.133 5.989 ( -3.188 0.000 0.619) 3.247 5.992 ( 0.168 0.000 -1.599) 1.608 6.133 ( 1.694 0.000 5.069) 5.345 6.281 ( 5.474 0.000 1.160) 5.596 6.284 ( 5.112 0.000 5.694) 7.652 6.399 ( -7.336 0.000 -2.125) 7.637 6.549 ( -0.798 0.000 -0.562) 0.976 6.563 ( 0.153 0.000 -2.511) 2.516 6.761 ( 2.502 0.000 10.445) 10.740 6.941 ( 2.537 0.000 -2.691) 3.698 7.037 ( 0.459 0.000 7.221) 7.235 7.065 ( -0.502 0.000 9.168) 9.182 7.144 ( 5.220 0.000 4.670) 7.004 7.217 ( -3.796 0.000 1.708) 4.163 7.268 ( 9.587 0.000 3.140) 10.088 7.368 ( -0.087 0.000 -2.775) 2.777 7.387 ( -0.033 0.000 -7.258) 7.258 7.542 ( -4.111 0.000 -5.210) 6.637 7.581 ( -1.540 0.000 -2.037) 2.554 7.605 ( -2.416 0.000 0.102) 2.418 7.669 ( 0.797 0.000 -5.913) 5.966 7.677 ( -5.083 0.000 -1.461) 5.289 7.835 ( 6.405 0.000 -4.448) 7.798 7.856 ( 0.169 0.000 1.477) 1.487 8.153 ( 3.716 0.000 4.996) 6.226 8.230 ( 5.233 0.000 0.684) 5.277 8.287 ( -15.809 0.000 9.950) 18.679 8.295 ( 6.600 0.000 -7.715) 10.153 8.674 ( -0.369 0.000 -4.907) 4.921 8.681 ( 0.032 0.000 -0.515) 0.516 8.800 ( 4.046 0.000 -6.634) 7.771 8.875 ( -0.714 0.000 -3.466) 3.539 9.053 ( 5.670 0.000 -0.706) 5.714 9.119 ( -4.207 0.000 2.281) 4.785 9.237 ( 4.141 0.000 -0.547) 4.177 9.252 ( 0.477 0.000 0.880) 1.001 9.451 ( 3.703 0.000 9.328) 10.036 9.568 ( -3.806 0.000 1.577) 4.120 9.579 ( 0.966 0.000 -0.295) 1.010 9.699 ( 2.593 0.000 -5.311) 5.910 9.835 ( -0.197 0.000 2.324) 2.332 9.899 ( -2.257 0.000 -0.070) 2.258 11.126 ( -1.394 0.000 -2.565) 2.919 11.139 ( -1.636 0.000 2.710) 3.165 11.264 ( 1.479 0.000 1.479) 2.092 11.628 ( -5.973 0.000 -11.270) 12.755 11.748 ( 0.789 0.000 1.751) 1.920 11.811 ( 2.117 0.000 -2.071) 2.961 11.944 ( 3.093 0.000 2.386) 3.907 12.102 ( -3.664 0.000 -2.821) 4.624 12.120 ( 2.830 0.000 6.683) 7.258 12.134 ( 8.466 0.000 4.758) 9.711 12.312 ( -3.624 0.000 1.715) 4.009 12.321 ( -0.515 0.000 -2.758) 2.805 12.662 ( 4.946 0.000 2.552) 5.566 12.811 ( -2.576 0.000 -1.879) 3.189 12.910 ( 1.883 0.000 -2.448) 3.088 12.940 ( -2.067 0.000 2.038) 2.903 13.042 ( -1.770 0.000 4.250) 4.604 13.088 ( 3.481 0.000 -3.732) 5.104 13.304 ( -0.369 0.000 -2.971) 2.994 13.396 ( -8.819 0.000 -1.510) 8.947 13.592 ( -3.780 0.000 2.885) 4.755 13.645 ( 1.087 0.000 -4.926) 5.044 13.961 ( 5.752 0.000 -1.529) 5.952 13.981 ( 0.795 0.000 0.741) 1.087 14.262 ( 9.915 0.000 3.091) 10.386 14.507 ( -3.287 0.000 -4.310) 5.421 14.715 ( 2.784 0.000 -3.993) 4.867 14.733 ( -6.639 0.000 3.403) 7.460 15.016 ( 5.399 0.000 -0.771) 5.454 15.104 ( -3.397 0.000 1.223) 3.611 15.127 ( -5.989 0.000 7.914) 9.925 15.221 ( 0.655 0.000 5.229) 5.270 15.280 ( -4.079 0.000 5.891) 7.166 15.426 ( 0.717 0.000 -15.667) 15.684 15.657 ( -1.175 0.000 3.590) 3.778 15.724 ( -2.528 0.000 3.548) 4.357 15.925 ( 0.006 0.000 2.946) 2.946 16.002 ( -2.794 0.000 -1.762) 3.303 16.221 ( -9.893 0.000 -3.172) 10.388 16.259 ( 0.200 0.000 -12.591) 12.592 16.959 ( 3.671 0.000 9.881) 10.541 16.989 ( -2.306 0.000 7.961) 8.288 17.128 ( -0.681 0.000 -0.313) 0.750 17.176 ( -0.121 0.000 2.103) 2.107 17.535 ( -2.241 0.000 -1.158) 2.522 17.544 ( 1.585 0.000 -3.789) 4.107 17.585 ( -0.528 0.000 -1.577) 1.663 17.611 ( 1.660 0.000 -3.637) 3.998 17.631 ( 3.907 0.000 1.505) 4.187 17.763 ( -2.472 0.000 -2.967) 3.862 18.094 ( -0.076 0.000 5.232) 5.232 18.212 ( 1.811 0.000 -3.267) 3.735 18.225 ( 0.001 0.000 1.297) 1.297 18.319 ( -4.808 0.000 0.097) 4.809 18.447 ( -0.916 0.000 3.305) 3.430 18.536 ( -0.571 0.000 0.371) 0.681 18.548 ( -1.743 0.000 -1.687) 2.426 18.600 ( -2.693 0.000 -5.477) 6.103 19.094 ( 2.683 0.000 0.589) 2.746 19.161 ( -1.369 0.000 -0.845) 1.609 21.992 ( 0.661 0.000 -0.089) 0.667 22.010 ( -0.917 0.000 -0.205) 0.939 22.108 ( 0.276 0.000 1.544) 1.569 22.163 ( -1.212 0.000 -1.447) 1.888 22.588 ( 0.825 0.000 0.832) 1.172 22.627 ( 1.607 0.000 1.227) 2.022 22.634 ( -0.867 0.000 -0.883) 1.238 22.709 ( -3.114 0.000 -0.878) 3.236 27.280 ( 1.670 0.000 1.018) 1.956 27.331 ( -0.983 0.000 -0.608) 1.155 27.337 ( 1.985 0.000 1.374) 2.414 27.408 ( -1.344 0.000 -1.073) 1.720 27.640 ( 0.984 0.000 0.249) 1.015 27.653 ( 0.350 0.000 -0.255) 0.433 27.779 ( -0.622 0.000 -0.185) 0.649 27.784 ( -0.967 0.000 -0.236) 0.996 35.883 ( -1.769 0.000 4.329) 4.677 35.921 ( 0.711 0.000 0.381) 0.807 36.252 ( 7.945 0.000 -2.148) 8.230 36.281 ( -5.277 0.000 3.966) 6.602 36.447 ( 1.925 0.000 7.184) 7.437 36.678 ( -2.029 0.000 -4.446) 4.887 37.077 ( 9.042 0.000 -6.414) 11.086 37.185 ( -10.655 0.000 1.807) 10.807 37.963 ( 0.425 0.000 5.467) 5.483 38.147 ( 1.988 0.000 -9.008) 9.225 38.953 ( 9.235 0.000 -0.190) 9.237 38.995 ( -1.210 0.000 4.712) 4.865 39.088 ( -0.818 0.000 8.635) 8.674 39.313 ( 3.049 0.000 -10.038) 10.491 40.303 ( -9.413 0.000 14.929) 17.649 40.476 ( 11.273 0.000 -13.869) 17.872 ======================= Grid point 116 (58/84) ======================= q-point: (-0.45 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( -4.585 0.000 -0.758) 4.647 2.504 ( 3.951 0.000 0.621) 4.000 2.840 ( -9.007 0.000 -2.990) 9.490 2.884 ( 4.905 0.000 6.634) 8.251 3.191 ( -7.345 0.000 10.465) 12.785 3.292 ( -13.777 0.000 11.231) 17.774 3.388 ( -5.018 0.000 -2.134) 5.453 3.455 ( 3.547 0.000 -8.122) 8.862 3.670 ( -7.483 0.000 -0.221) 7.486 3.726 ( 3.947 0.000 -6.289) 7.425 3.832 ( 1.779 0.000 -8.950) 9.125 3.924 ( 10.318 0.000 -1.816) 10.476 4.068 ( 6.004 0.000 11.295) 12.792 4.179 ( -9.031 0.000 -8.737) 12.566 4.365 ( -3.344 0.000 1.142) 3.534 4.401 ( -0.106 0.000 2.848) 2.850 4.464 ( -12.399 0.000 -10.982) 16.564 4.602 ( 10.742 0.000 5.463) 12.052 4.655 ( -7.297 0.000 -1.327) 7.417 4.773 ( 6.501 0.000 0.619) 6.530 4.819 ( 0.187 0.000 2.883) 2.889 4.887 ( 1.951 0.000 -2.733) 3.358 5.100 ( -0.056 0.000 3.522) 3.523 5.124 ( -2.915 0.000 -0.236) 2.925 5.194 ( -6.092 0.000 -3.876) 7.221 5.227 ( -0.752 0.000 4.615) 4.676 5.247 ( 3.328 0.000 6.918) 7.677 5.279 ( -0.034 0.000 -0.541) 0.542 5.449 ( -1.146 0.000 -1.236) 1.686 5.461 ( -5.106 0.000 2.892) 5.868 5.589 ( 9.623 0.000 -3.941) 10.399 5.685 ( 3.418 0.000 -3.519) 4.906 5.758 ( -0.089 0.000 4.675) 4.676 5.773 ( -3.340 0.000 -4.231) 5.391 5.968 ( -2.786 0.000 2.271) 3.594 6.014 ( 3.874 0.000 -1.583) 4.185 6.263 ( -3.774 0.000 -4.583) 5.937 6.292 ( 10.003 0.000 -1.063) 10.059 6.331 ( 2.480 0.000 0.360) 2.506 6.363 ( -1.524 0.000 -0.567) 1.626 6.557 ( 2.960 0.000 -1.773) 3.451 6.577 ( 2.374 0.000 -0.936) 2.552 6.832 ( -1.467 0.000 7.775) 7.912 6.949 ( 1.453 0.000 -6.934) 7.085 7.060 ( -2.529 0.000 8.382) 8.755 7.097 ( -2.156 0.000 11.329) 11.533 7.139 ( -4.178 0.000 -0.530) 4.211 7.223 ( 0.642 0.000 4.196) 4.245 7.321 ( -1.598 0.000 -8.844) 8.988 7.381 ( 2.149 0.000 -4.071) 4.603 7.404 ( -7.218 0.000 -6.332) 9.602 7.428 ( -1.362 0.000 4.642) 4.838 7.505 ( 3.161 0.000 5.044) 5.953 7.563 ( -1.900 0.000 1.790) 2.610 7.645 ( -0.212 0.000 -4.175) 4.180 7.704 ( 3.507 0.000 -2.832) 4.508 7.809 ( -6.687 0.000 0.412) 6.700 7.876 ( -0.103 0.000 -1.527) 1.530 8.044 ( -8.236 0.000 7.256) 10.976 8.145 ( -6.690 0.000 3.445) 7.524 8.295 ( 6.257 0.000 1.112) 6.355 8.472 ( 4.255 0.000 -2.003) 4.703 8.639 ( -3.226 0.000 -0.225) 3.234 8.719 ( 10.080 0.000 -10.709) 14.706 8.807 ( -4.717 0.000 -3.057) 5.621 8.831 ( 1.229 0.000 -0.485) 1.321 9.054 ( -2.425 0.000 -0.515) 2.479 9.151 ( 4.819 0.000 -0.715) 4.871 9.215 ( -5.252 0.000 1.433) 5.444 9.255 ( -1.797 0.000 0.562) 1.883 9.482 ( -5.886 0.000 1.704) 6.127 9.543 ( -0.024 0.000 7.609) 7.609 9.609 ( 2.899 0.000 -0.625) 2.966 9.695 ( 0.011 0.000 -6.497) 6.497 9.861 ( 2.089 0.000 3.121) 3.755 9.876 ( -0.594 0.000 -0.927) 1.101 11.118 ( -0.254 0.000 -0.823) 0.861 11.119 ( 1.380 0.000 -0.075) 1.382 11.373 ( 5.805 0.000 9.485) 11.121 11.456 ( -5.338 0.000 -11.097) 12.315 11.744 ( -1.978 0.000 2.513) 3.198 11.806 ( -1.258 0.000 -2.691) 2.970 12.010 ( -4.748 0.000 -2.793) 5.508 12.020 ( 2.563 0.000 4.494) 5.174 12.188 ( -1.971 0.000 1.048) 2.233 12.220 ( -3.693 0.000 4.826) 6.077 12.222 ( -0.235 0.000 -1.061) 1.087 12.334 ( 2.875 0.000 -0.520) 2.922 12.728 ( -4.207 0.000 -3.639) 5.563 12.768 ( 4.395 0.000 2.778) 5.199 12.914 ( -1.004 0.000 -2.144) 2.368 12.990 ( 7.806 0.000 -2.519) 8.202 13.013 ( -2.314 0.000 2.668) 3.532 13.095 ( -2.702 0.000 -0.839) 2.829 13.310 ( 1.896 0.000 -3.578) 4.049 13.364 ( 6.900 0.000 0.541) 6.921 13.548 ( -1.810 0.000 3.929) 4.326 13.661 ( 2.745 0.000 -3.252) 4.256 13.935 ( -5.685 0.000 0.749) 5.734 14.008 ( -0.404 0.000 -1.469) 1.524 14.342 ( -9.865 0.000 -4.260) 10.746 14.427 ( 3.851 0.000 3.305) 5.075 14.649 ( -1.783 0.000 1.871) 2.584 14.816 ( 8.709 0.000 -4.074) 9.615 15.018 ( -4.874 0.000 -0.950) 4.966 15.062 ( -1.254 0.000 7.448) 7.552 15.180 ( 6.258 0.000 3.538) 7.189 15.282 ( 2.467 0.000 -1.027) 2.672 15.283 ( 1.644 0.000 0.865) 1.857 15.413 ( 7.044 0.000 -11.646) 13.610 15.711 ( 0.371 0.000 0.006) 0.371 15.717 ( 4.827 0.000 5.090) 7.015 15.943 ( -3.468 0.000 2.130) 4.070 15.954 ( 1.492 0.000 3.080) 3.422 16.066 ( -5.709 0.000 1.564) 5.919 16.249 ( 4.591 0.000 -6.523) 7.977 16.983 ( -2.591 0.000 6.851) 7.325 17.033 ( 0.164 0.000 3.610) 3.614 17.145 ( 2.057 0.000 2.546) 3.273 17.189 ( 1.344 0.000 -1.743) 2.201 17.486 ( -1.574 0.000 -1.878) 2.450 17.567 ( 1.897 0.000 -0.889) 2.095 17.583 ( 0.572 0.000 -0.615) 0.840 17.622 ( 2.352 0.000 -6.001) 6.445 17.718 ( 4.451 0.000 0.736) 4.511 17.719 ( 0.424 0.000 -5.565) 5.581 18.110 ( -0.652 0.000 4.609) 4.655 18.207 ( -0.642 0.000 -4.609) 4.653 18.256 ( -2.042 0.000 -0.038) 2.043 18.257 ( 1.913 0.000 4.842) 5.206 18.454 ( -0.921 0.000 5.559) 5.634 18.537 ( 0.286 0.000 -1.370) 1.400 18.545 ( 0.077 0.000 -3.621) 3.622 18.550 ( 3.058 0.000 -0.357) 3.078 19.131 ( -0.967 0.000 -2.394) 2.582 19.151 ( 3.321 0.000 0.027) 3.321 21.993 ( -0.689 0.000 -0.231) 0.727 22.007 ( 0.916 0.000 0.081) 0.919 22.129 ( 1.135 0.000 1.607) 1.968 22.144 ( -0.057 0.000 -1.676) 1.677 22.612 ( -0.844 0.000 -1.228) 1.490 22.612 ( 1.166 0.000 1.021) 1.550 22.652 ( -2.366 0.000 -0.999) 2.569 22.677 ( 2.704 0.000 1.922) 3.317 27.302 ( -1.566 0.000 -0.941) 1.827 27.310 ( 0.925 0.000 1.221) 1.532 27.370 ( -2.021 0.000 -1.491) 2.512 27.377 ( 1.246 0.000 1.744) 2.143 27.653 ( -0.047 0.000 -0.952) 0.953 27.654 ( 0.462 0.000 -0.249) 0.525 27.770 ( -0.601 0.000 0.666) 0.897 27.771 ( -0.333 0.000 0.719) 0.792 35.859 ( -3.047 0.000 4.551) 5.477 35.913 ( -2.975 0.000 2.855) 4.123 36.208 ( -3.075 0.000 0.226) 3.083 36.327 ( -0.256 0.000 2.111) 2.127 36.585 ( 9.545 0.000 4.179) 10.419 36.596 ( -2.541 0.000 -6.173) 6.675 37.004 ( -8.701 0.000 -0.947) 8.752 37.258 ( 11.936 0.000 -4.180) 12.647 37.979 ( -1.957 0.000 6.118) 6.423 38.117 ( -0.340 0.000 -8.477) 8.484 38.939 ( -6.758 0.000 1.496) 6.921 39.047 ( -0.836 0.000 1.276) 1.525 39.103 ( -0.306 0.000 7.311) 7.318 39.292 ( 0.157 0.000 -9.674) 9.675 40.162 ( -13.367 0.000 14.105) 19.433 40.614 ( 10.713 0.000 -12.731) 16.639 ======================= Grid point 117 (59/84) ======================= q-point: (-0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( -6.059 0.000 -2.324) 6.490 2.578 ( 3.282 0.000 1.151) 3.478 2.600 ( -17.641 0.000 7.724) 19.258 2.887 ( -8.385 0.000 2.091) 8.642 3.065 ( -11.801 0.000 7.524) 13.996 3.151 ( -6.108 0.000 16.347) 17.451 3.343 ( 1.639 0.000 -0.297) 1.665 3.503 ( -5.794 0.000 -6.576) 8.764 3.522 ( 3.159 0.000 -0.102) 3.161 3.631 ( -8.402 0.000 -23.367) 24.832 3.820 ( -0.292 0.000 -3.598) 3.609 4.010 ( -5.605 0.000 10.609) 11.999 4.010 ( -2.924 0.000 -3.944) 4.910 4.137 ( -0.584 0.000 1.124) 1.267 4.179 ( -8.843 0.000 -10.560) 13.774 4.399 ( 5.122 0.000 8.323) 9.773 4.436 ( 1.221 0.000 -0.360) 1.273 4.494 ( -9.011 0.000 -3.721) 9.749 4.798 ( -7.448 0.000 -0.750) 7.486 4.809 ( 7.380 0.000 5.796) 9.384 4.896 ( 0.230 0.000 2.586) 2.596 4.915 ( 1.711 0.000 -1.278) 2.135 4.917 ( -8.995 0.000 2.421) 9.315 5.137 ( -2.604 0.000 3.353) 4.245 5.144 ( 2.811 0.000 1.333) 3.111 5.170 ( 0.605 0.000 1.377) 1.504 5.331 ( 0.376 0.000 0.015) 0.376 5.347 ( -1.348 0.000 2.313) 2.677 5.455 ( 8.205 0.000 4.062) 9.155 5.499 ( 10.782 0.000 -1.676) 10.911 5.678 ( -3.457 0.000 -3.129) 4.663 5.708 ( 3.589 0.000 -1.999) 4.108 5.731 ( 0.853 0.000 -4.056) 4.145 5.797 ( -2.182 0.000 11.117) 11.329 5.913 ( -1.529 0.000 0.155) 1.537 6.111 ( 3.735 0.000 -2.347) 4.411 6.144 ( -6.706 0.000 -5.127) 8.441 6.305 ( 1.954 0.000 -1.138) 2.261 6.331 ( 2.170 0.000 -6.575) 6.924 6.504 ( 3.627 0.000 3.200) 4.837 6.579 ( 2.434 0.000 -5.169) 5.714 6.626 ( 1.701 0.000 -2.184) 2.768 6.765 ( -9.917 0.000 8.917) 13.336 6.899 ( -4.825 0.000 -9.002) 10.214 7.025 ( -4.778 0.000 4.167) 6.340 7.040 ( -4.156 0.000 0.061) 4.156 7.121 ( -1.371 0.000 2.758) 3.080 7.134 ( -11.449 0.000 9.955) 15.172 7.209 ( -7.537 0.000 -5.305) 9.216 7.268 ( 0.874 0.000 -8.565) 8.609 7.402 ( 3.316 0.000 -0.557) 3.362 7.484 ( 2.352 0.000 5.923) 6.373 7.495 ( -6.928 0.000 -6.767) 9.684 7.538 ( -1.754 0.000 1.057) 2.048 7.645 ( 6.148 0.000 1.501) 6.328 7.738 ( -3.532 0.000 6.159) 7.099 7.809 ( -3.215 0.000 -0.007) 3.215 7.840 ( 10.766 0.000 -3.586) 11.348 8.033 ( 2.317 0.000 1.491) 2.756 8.088 ( 0.084 0.000 -0.053) 0.099 8.348 ( -2.998 0.000 -0.423) 3.028 8.456 ( -6.509 0.000 5.685) 8.642 8.608 ( -0.281 0.000 5.953) 5.960 8.695 ( -3.094 0.000 -4.966) 5.851 8.835 ( -0.915 0.000 1.647) 1.884 8.838 ( 6.986 0.000 -10.477) 12.593 9.045 ( 2.486 0.000 -3.782) 4.526 9.108 ( -6.353 0.000 2.556) 6.848 9.185 ( -2.576 0.000 0.480) 2.620 9.244 ( 2.811 0.000 -0.291) 2.826 9.390 ( -4.633 0.000 2.402) 5.218 9.555 ( -0.976 0.000 3.696) 3.823 9.636 ( -2.043 0.000 -6.564) 6.874 9.646 ( 0.992 0.000 0.047) 0.993 9.854 ( -1.221 0.000 -0.948) 1.546 9.947 ( 4.881 0.000 3.159) 5.814 11.134 ( 1.870 0.000 0.861) 2.059 11.173 ( 3.616 0.000 2.276) 4.273 11.340 ( -1.552 0.000 -7.293) 7.456 11.540 ( 5.438 0.000 10.995) 12.266 11.705 ( -4.400 0.000 2.411) 5.017 11.730 ( -5.478 0.000 -2.329) 5.953 11.892 ( -6.056 0.000 -1.246) 6.183 12.045 ( -7.703 0.000 -4.719) 9.034 12.056 ( -1.889 0.000 2.680) 3.278 12.207 ( 1.215 0.000 -3.370) 3.582 12.252 ( -0.101 0.000 5.357) 5.357 12.331 ( -3.494 0.000 -0.172) 3.498 12.658 ( 0.098 0.000 -3.916) 3.918 12.829 ( -0.330 0.000 0.677) 0.753 12.903 ( 1.988 0.000 1.365) 2.411 13.008 ( 1.285 0.000 -1.043) 1.655 13.026 ( -3.276 0.000 -0.230) 3.284 13.144 ( 8.479 0.000 -4.687) 9.688 13.360 ( 4.055 0.000 0.068) 4.056 13.524 ( 7.785 0.000 4.295) 8.891 13.594 ( 4.905 0.000 2.006) 5.300 13.691 ( 0.994 0.000 -2.891) 3.057 13.821 ( -5.216 0.000 0.829) 5.282 13.915 ( -7.928 0.000 -2.191) 8.225 14.191 ( -2.197 0.000 -2.991) 3.711 14.443 ( -2.152 0.000 1.978) 2.923 14.662 ( 0.469 0.000 1.148) 1.240 14.864 ( -3.181 0.000 -5.405) 6.272 15.000 ( 5.414 0.000 -2.310) 5.886 15.105 ( 0.378 0.000 9.715) 9.723 15.262 ( 0.205 0.000 -0.045) 0.210 15.310 ( 2.084 0.000 -3.285) 3.890 15.351 ( 6.710 0.000 -2.160) 7.049 15.560 ( 13.597 0.000 -6.956) 15.273 15.750 ( 3.343 0.000 -1.842) 3.817 15.848 ( 6.544 0.000 -0.015) 6.544 15.917 ( -1.193 0.000 8.632) 8.714 16.013 ( 3.202 0.000 2.902) 4.321 16.017 ( -2.330 0.000 5.893) 6.336 16.360 ( 8.766 0.000 -0.039) 8.766 16.964 ( -2.440 0.000 4.237) 4.889 17.029 ( -1.524 0.000 1.662) 2.255 17.199 ( 1.964 0.000 1.859) 2.705 17.200 ( 1.800 0.000 -6.365) 6.615 17.465 ( 0.094 0.000 -0.474) 0.484 17.590 ( 1.426 0.000 -1.007) 1.746 17.602 ( 2.015 0.000 -1.037) 2.266 17.655 ( 4.017 0.000 -4.698) 6.181 17.718 ( 3.267 0.000 -8.338) 8.955 17.803 ( 4.364 0.000 1.130) 4.507 18.146 ( -3.512 0.000 -1.187) 3.707 18.147 ( 2.865 0.000 4.815) 5.603 18.246 ( 1.506 0.000 -2.481) 2.903 18.335 ( 2.679 0.000 6.163) 6.720 18.474 ( -0.090 0.000 6.325) 6.326 18.521 ( 1.405 0.000 -4.977) 5.172 18.573 ( 2.132 0.000 0.987) 2.349 18.639 ( 5.786 0.000 0.153) 5.788 19.100 ( -0.762 0.000 -3.410) 3.494 19.214 ( 3.607 0.000 -0.816) 3.698 21.984 ( -0.240 0.000 -0.176) 0.297 22.024 ( 0.815 0.000 0.168) 0.833 22.141 ( 0.701 0.000 -2.136) 2.248 22.167 ( 1.994 0.000 1.773) 2.668 22.589 ( -0.879 0.000 -1.284) 1.556 22.615 ( -1.167 0.000 -0.398) 1.233 22.640 ( 1.329 0.000 0.748) 1.525 22.742 ( 3.005 0.000 2.254) 3.757 27.266 ( -1.711 0.000 -1.269) 2.130 27.322 ( -2.121 0.000 -1.675) 2.703 27.325 ( -0.123 0.000 1.330) 1.336 27.398 ( 0.009 0.000 1.958) 1.958 27.642 ( -0.349 0.000 -1.674) 1.710 27.654 ( -0.155 0.000 -0.754) 0.770 27.767 ( -0.528 0.000 1.629) 1.713 27.775 ( 0.070 0.000 1.822) 1.823 35.824 ( -3.267 0.000 4.763) 5.776 35.832 ( -7.290 0.000 4.108) 8.368 36.193 ( 2.577 0.000 -4.225) 4.948 36.285 ( -6.278 0.000 6.165) 8.799 36.531 ( -1.450 0.000 -4.911) 5.120 36.805 ( 11.214 0.000 3.737) 11.821 36.868 ( -4.097 0.000 -4.906) 6.392 37.444 ( 9.657 0.000 -3.109) 10.145 37.960 ( -3.522 0.000 6.582) 7.466 38.046 ( -2.633 0.000 -8.112) 8.528 38.761 ( -11.984 0.000 -2.794) 12.305 38.981 ( -6.653 0.000 4.903) 8.264 39.125 ( -1.078 0.000 3.955) 4.099 39.218 ( -2.790 0.000 -9.156) 9.571 39.980 ( -14.204 0.000 16.482) 21.758 40.721 ( 8.136 0.000 -15.430) 17.443 ======================= Grid point 118 (60/84) ======================= q-point: (-0.27 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( -11.269 0.000 1.297) 11.344 2.326 ( -18.074 0.000 18.525) 25.881 2.619 ( -21.008 0.000 8.944) 22.832 2.637 ( 1.312 0.000 2.624) 2.934 2.971 ( -1.265 0.000 2.173) 2.514 3.110 ( -4.105 0.000 8.102) 9.083 3.301 ( -10.275 0.000 -25.597) 27.582 3.314 ( -7.812 0.000 -11.244) 13.692 3.490 ( 6.694 0.000 1.176) 6.796 3.530 ( -2.819 0.000 1.003) 2.993 3.722 ( -6.685 0.000 0.143) 6.687 3.865 ( -10.397 0.000 10.769) 14.969 3.986 ( 0.774 0.000 -10.644) 10.673 4.051 ( -3.513 0.000 -0.498) 3.548 4.134 ( -2.388 0.000 1.714) 2.940 4.259 ( -12.471 0.000 -5.401) 13.590 4.271 ( -28.443 0.000 2.082) 28.519 4.563 ( 1.577 0.000 -0.885) 1.809 4.593 ( 8.727 0.000 8.467) 12.159 4.834 ( -4.325 0.000 3.569) 5.608 4.906 ( 1.112 0.000 0.947) 1.461 4.927 ( 0.776 0.000 -3.153) 3.247 4.972 ( 1.342 0.000 4.200) 4.409 5.108 ( -1.377 0.000 -2.017) 2.442 5.189 ( -0.415 0.000 -1.190) 1.260 5.238 ( 1.633 0.000 -0.082) 1.635 5.358 ( 2.148 0.000 5.981) 6.355 5.389 ( 7.599 0.000 5.325) 9.279 5.549 ( -6.548 0.000 0.528) 6.569 5.604 ( -1.103 0.000 4.059) 4.206 5.711 ( 5.659 0.000 -2.947) 6.380 5.730 ( 1.847 0.000 -6.317) 6.582 5.770 ( 5.908 0.000 2.683) 6.489 5.793 ( 4.444 0.000 4.024) 5.995 5.949 ( 2.362 0.000 4.032) 4.673 6.006 ( 2.161 0.000 -2.754) 3.501 6.175 ( -0.750 0.000 1.216) 1.429 6.273 ( -6.294 0.000 -1.928) 6.583 6.295 ( -9.968 0.000 3.549) 10.581 6.349 ( -15.655 0.000 -0.544) 15.664 6.544 ( -8.811 0.000 -7.708) 11.707 6.635 ( -4.326 0.000 3.172) 5.364 6.674 ( 4.574 0.000 -3.356) 5.673 6.708 ( -1.204 0.000 -8.942) 9.023 6.933 ( -7.230 0.000 -7.347) 10.308 6.936 ( -5.635 0.000 1.752) 5.901 7.056 ( -1.728 0.000 5.153) 5.435 7.063 ( -1.411 0.000 -5.093) 5.284 7.110 ( -4.146 0.000 3.584) 5.480 7.339 ( 8.078 0.000 -4.171) 9.092 7.403 ( 0.609 0.000 -5.591) 5.624 7.475 ( 4.089 0.000 -1.593) 4.388 7.515 ( -1.374 0.000 3.062) 3.356 7.537 ( 0.524 0.000 4.277) 4.309 7.635 ( -5.479 0.000 6.601) 8.579 7.725 ( 2.826 0.000 -1.398) 3.153 7.848 ( 2.795 0.000 3.563) 4.528 8.053 ( 8.266 0.000 3.047) 8.810 8.124 ( 2.031 0.000 -1.691) 2.642 8.130 ( 9.644 0.000 -3.077) 10.123 8.193 ( -10.910 0.000 -0.311) 10.914 8.307 ( -9.700 0.000 6.708) 11.794 8.668 ( 1.233 0.000 8.423) 8.513 8.671 ( 3.344 0.000 -8.408) 9.049 8.823 ( -0.781 0.000 -0.160) 0.797 8.880 ( 2.971 0.000 -6.511) 7.157 9.017 ( -4.605 0.000 2.634) 5.305 9.088 ( 2.982 0.000 -2.744) 4.053 9.137 ( -2.689 0.000 2.334) 3.561 9.280 ( 0.304 0.000 -1.846) 1.871 9.345 ( -1.504 0.000 1.791) 2.339 9.565 ( 1.895 0.000 -1.248) 2.269 9.581 ( -0.244 0.000 -3.960) 3.967 9.664 ( 0.844 0.000 2.647) 2.779 9.830 ( -0.393 0.000 -1.054) 1.125 10.053 ( 4.546 0.000 2.226) 5.062 11.178 ( 0.421 0.000 2.892) 2.923 11.246 ( 2.604 0.000 0.814) 2.728 11.349 ( 4.269 0.000 1.058) 4.398 11.550 ( -8.306 0.000 0.520) 8.322 11.562 ( -10.291 0.000 -0.343) 10.296 11.706 ( 2.986 0.000 6.496) 7.149 11.842 ( 0.304 0.000 2.837) 2.853 11.867 ( -8.095 0.000 -7.945) 11.343 11.969 ( -6.112 0.000 -2.389) 6.562 12.204 ( -0.939 0.000 -1.763) 1.998 12.258 ( -1.465 0.000 2.707) 3.077 12.286 ( 0.028 0.000 0.079) 0.084 12.678 ( 2.708 0.000 -2.739) 3.852 12.791 ( -3.031 0.000 0.835) 3.144 12.971 ( -2.411 0.000 -0.130) 2.414 12.975 ( 3.932 0.000 1.073) 4.076 13.038 ( 1.064 0.000 0.593) 1.218 13.190 ( 0.503 0.000 -5.234) 5.258 13.453 ( 1.369 0.000 3.557) 3.811 13.551 ( -7.630 0.000 -2.552) 8.046 13.713 ( 7.269 0.000 0.776) 7.310 13.723 ( 5.485 0.000 3.774) 6.658 13.811 ( -0.386 0.000 -2.576) 2.605 13.838 ( 9.145 0.000 -3.523) 9.800 14.228 ( 5.332 0.000 1.877) 5.652 14.391 ( -3.965 0.000 -0.067) 3.965 14.649 ( -2.121 0.000 0.167) 2.128 14.761 ( -4.220 0.000 -4.275) 6.007 15.049 ( 0.744 0.000 -6.004) 6.050 15.149 ( 0.384 0.000 3.196) 3.219 15.242 ( -3.388 0.000 8.973) 9.592 15.340 ( 3.310 0.000 -2.276) 4.017 15.466 ( 4.685 0.000 -1.937) 5.069 15.726 ( -4.049 0.000 1.859) 4.455 15.808 ( 14.535 0.000 -4.866) 15.328 15.924 ( 3.316 0.000 -6.152) 6.988 16.019 ( -1.259 0.000 6.238) 6.363 16.056 ( 10.025 0.000 7.612) 12.588 16.102 ( 4.420 0.000 3.985) 5.952 16.536 ( 8.528 0.000 0.992) 8.586 16.944 ( -1.013 0.000 1.075) 1.477 17.006 ( -1.203 0.000 0.689) 1.386 17.180 ( 0.487 0.000 -9.617) 9.630 17.242 ( 2.007 0.000 1.689) 2.623 17.488 ( 2.299 0.000 1.026) 2.517 17.614 ( 1.891 0.000 -2.766) 3.351 17.642 ( 2.693 0.000 -1.957) 3.329 17.696 ( 1.870 0.000 -2.174) 2.868 17.752 ( 3.980 0.000 -6.562) 7.675 17.900 ( 5.413 0.000 1.584) 5.640 18.090 ( -1.995 0.000 1.176) 2.316 18.277 ( 7.630 0.000 4.633) 8.926 18.283 ( 4.069 0.000 -2.085) 4.572 18.391 ( 1.660 0.000 2.195) 2.752 18.519 ( 1.394 0.000 6.053) 6.212 18.558 ( 3.971 0.000 -1.273) 4.170 18.628 ( 3.449 0.000 0.832) 3.548 18.748 ( 5.734 0.000 0.001) 5.734 19.070 ( -0.067 0.000 -4.235) 4.235 19.269 ( 2.764 0.000 -1.669) 3.228 21.983 ( 0.180 0.000 -0.070) 0.193 22.037 ( 0.390 0.000 0.047) 0.393 22.145 ( 0.970 0.000 -1.994) 2.218 22.220 ( 2.613 0.000 2.096) 3.350 22.569 ( -0.586 0.000 -0.634) 0.863 22.605 ( -0.041 0.000 0.547) 0.549 22.666 ( 1.154 0.000 0.106) 1.159 22.805 ( 2.311 0.000 2.383) 3.320 27.227 ( -1.505 0.000 -1.646) 2.230 27.279 ( -1.491 0.000 -1.397) 2.043 27.317 ( -1.416 0.000 1.106) 1.797 27.395 ( -1.530 0.000 1.841) 2.394 27.624 ( -0.533 0.000 -2.037) 2.106 27.642 ( -0.695 0.000 -0.929) 1.160 27.768 ( -0.423 0.000 2.497) 2.532 27.790 ( 0.200 0.000 2.637) 2.644 35.715 ( -6.509 0.000 2.419) 6.944 35.791 ( -3.126 0.000 5.182) 6.052 36.171 ( -9.666 0.000 8.083) 12.600 36.243 ( 4.964 0.000 -5.941) 7.742 36.493 ( 0.311 0.000 -3.821) 3.834 36.805 ( 0.662 0.000 -6.805) 6.837 37.018 ( 9.287 0.000 3.716) 10.003 37.565 ( 4.441 0.000 -1.584) 4.716 37.927 ( -3.586 0.000 6.669) 7.572 37.941 ( -4.230 0.000 -6.682) 7.908 38.480 ( -15.176 0.000 -6.291) 16.428 38.870 ( -7.555 0.000 3.290) 8.241 39.087 ( -6.154 0.000 -10.509) 12.178 39.128 ( -0.166 0.000 5.912) 5.914 39.840 ( -10.422 0.000 19.881) 22.447 40.715 ( 0.635 0.000 -23.633) 23.642 ======================= Grid point 119 (61/84) ======================= q-point: (-0.18 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -17.675 0.000 23.892) 29.720 2.120 ( -9.869 0.000 2.840) 10.269 2.243 ( -25.410 0.000 20.028) 32.354 2.697 ( 4.456 0.000 -1.452) 4.687 2.964 ( -20.047 0.000 -14.374) 24.668 3.013 ( 1.993 0.000 3.153) 3.730 3.060 ( -1.386 0.000 -22.321) 22.364 3.093 ( -2.066 0.000 3.840) 4.361 3.427 ( -11.413 0.000 -6.438) 13.104 3.558 ( -27.079 0.000 20.559) 33.999 3.595 ( 3.271 0.000 1.272) 3.510 3.653 ( -9.306 0.000 7.232) 11.786 3.856 ( -0.202 0.000 1.044) 1.063 3.911 ( -9.916 0.000 -7.808) 12.621 4.024 ( 6.633 0.000 -14.641) 16.074 4.057 ( -2.933 0.000 6.613) 7.234 4.141 ( -6.398 0.000 5.962) 8.746 4.535 ( -9.551 0.000 -0.230) 9.553 4.663 ( -2.964 0.000 -12.039) 12.398 4.813 ( 3.854 0.000 -1.541) 4.151 4.888 ( -2.790 0.000 -4.651) 5.423 4.922 ( -0.654 0.000 5.792) 5.828 4.990 ( -6.057 0.000 -5.161) 7.957 5.017 ( 1.927 0.000 2.785) 3.387 5.228 ( 3.038 0.000 2.166) 3.732 5.234 ( 0.861 0.000 -2.207) 2.369 5.443 ( -1.220 0.000 5.949) 6.073 5.457 ( 0.115 0.000 1.436) 1.441 5.538 ( -0.433 0.000 1.261) 1.333 5.557 ( -0.397 0.000 0.778) 0.873 5.724 ( -10.615 0.000 4.196) 11.414 5.744 ( 6.777 0.000 -1.895) 7.037 5.797 ( 0.598 0.000 1.178) 1.321 5.859 ( -12.203 0.000 0.484) 12.212 6.012 ( -0.757 0.000 5.047) 5.103 6.082 ( 3.331 0.000 0.272) 3.342 6.123 ( 4.569 0.000 5.557) 7.194 6.132 ( -0.744 0.000 0.820) 1.107 6.204 ( 0.075 0.000 -2.986) 2.987 6.206 ( 1.601 0.000 1.794) 2.405 6.338 ( -2.510 0.000 -5.600) 6.137 6.623 ( 0.088 0.000 3.755) 3.756 6.666 ( -7.710 0.000 -4.010) 8.691 6.695 ( 1.428 0.000 -7.578) 7.712 6.853 ( -5.318 0.000 5.329) 7.529 6.866 ( 8.615 0.000 -9.354) 12.716 7.008 ( -4.658 0.000 5.836) 7.467 7.043 ( -1.331 0.000 -1.405) 1.935 7.075 ( 0.769 0.000 0.084) 0.773 7.407 ( 1.005 0.000 -4.050) 4.173 7.408 ( 0.594 0.000 -1.209) 1.347 7.509 ( -2.878 0.000 5.555) 6.256 7.567 ( 3.463 0.000 5.874) 6.818 7.583 ( 6.004 0.000 -6.141) 8.588 7.634 ( 1.334 0.000 2.186) 2.561 7.761 ( 2.310 0.000 -3.490) 4.185 7.902 ( 0.800 0.000 1.296) 1.523 7.947 ( -12.625 0.000 4.723) 13.479 8.035 ( -8.550 0.000 5.803) 10.333 8.184 ( 3.997 0.000 3.205) 5.123 8.315 ( 5.338 0.000 0.361) 5.350 8.338 ( 11.537 0.000 -5.455) 12.761 8.713 ( 5.717 0.000 -8.228) 10.019 8.715 ( -0.474 0.000 5.947) 5.965 8.810 ( -0.099 0.000 -0.895) 0.900 8.888 ( 0.786 0.000 -2.002) 2.151 8.963 ( -1.916 0.000 -0.815) 2.083 9.102 ( -0.956 0.000 0.475) 1.067 9.116 ( -0.845 0.000 1.953) 2.127 9.216 ( -5.095 0.000 -3.061) 5.944 9.354 ( 1.583 0.000 1.175) 1.972 9.599 ( 3.505 0.000 -1.431) 3.786 9.602 ( 0.780 0.000 0.581) 0.972 9.722 ( 4.692 0.000 1.120) 4.824 9.833 ( 1.403 0.000 -2.086) 2.513 10.128 ( 2.615 0.000 0.576) 2.678 11.083 ( -11.899 0.000 0.617) 11.915 11.266 ( -7.166 0.000 -2.654) 7.642 11.324 ( -1.448 0.000 2.476) 2.868 11.485 ( 1.280 0.000 3.808) 4.017 11.551 ( 7.204 0.000 4.831) 8.674 11.674 ( -6.482 0.000 -7.416) 9.850 11.699 ( -5.714 0.000 -1.528) 5.915 11.899 ( 3.295 0.000 4.049) 5.220 11.916 ( 1.604 0.000 1.815) 2.423 12.181 ( -0.322 0.000 -1.930) 1.957 12.226 ( -2.712 0.000 -0.339) 2.734 12.279 ( -1.454 0.000 -1.416) 2.029 12.701 ( 0.882 0.000 -1.839) 2.040 12.738 ( -2.873 0.000 0.279) 2.887 12.933 ( -1.852 0.000 -2.069) 2.776 12.989 ( -7.015 0.000 3.104) 7.671 13.066 ( 5.840 0.000 -2.993) 6.563 13.189 ( 2.826 0.000 0.125) 2.829 13.423 ( -4.589 0.000 3.192) 5.590 13.461 ( 0.661 0.000 1.259) 1.422 13.759 ( -0.455 0.000 0.755) 0.881 13.870 ( 8.438 0.000 -0.237) 8.442 13.908 ( 7.752 0.000 1.886) 7.978 14.040 ( 12.603 0.000 -7.918) 14.884 14.295 ( -5.207 0.000 -3.479) 6.262 14.367 ( 6.760 0.000 5.661) 8.817 14.602 ( -2.734 0.000 0.780) 2.843 14.666 ( -4.724 0.000 -2.277) 5.244 14.974 ( -3.776 0.000 -7.690) 8.567 15.154 ( -1.985 0.000 0.808) 2.143 15.237 ( -4.470 0.000 15.346) 15.984 15.400 ( 4.704 0.000 -6.321) 7.879 15.422 ( -5.976 0.000 2.270) 6.393 15.762 ( 6.352 0.000 1.341) 6.492 15.852 ( -4.295 0.000 -8.136) 9.200 16.012 ( -2.738 0.000 5.098) 5.787 16.020 ( 7.229 0.000 -5.475) 9.068 16.210 ( 3.132 0.000 5.180) 6.053 16.303 ( 11.764 0.000 5.625) 13.040 16.656 ( 6.175 0.000 -3.038) 6.882 16.948 ( 1.453 0.000 -0.060) 1.454 17.009 ( 1.782 0.000 -0.311) 1.808 17.131 ( -0.433 0.000 -8.218) 8.230 17.299 ( 3.398 0.000 0.926) 3.522 17.552 ( 3.435 0.000 0.793) 3.525 17.616 ( -1.543 0.000 -1.702) 2.298 17.663 ( 1.159 0.000 -3.912) 4.080 17.697 ( -0.272 0.000 -1.358) 1.385 17.764 ( -0.286 0.000 -1.760) 1.783 17.985 ( 1.595 0.000 -0.036) 1.596 18.108 ( 3.236 0.000 3.858) 5.036 18.370 ( 1.975 0.000 -0.412) 2.018 18.394 ( 8.485 0.000 0.572) 8.504 18.514 ( 4.566 0.000 7.276) 8.590 18.580 ( 2.382 0.000 2.657) 3.569 18.635 ( 8.075 0.000 -1.802) 8.274 18.715 ( 5.357 0.000 -0.881) 5.429 18.853 ( 5.437 0.000 0.831) 5.500 19.063 ( 2.044 0.000 -4.788) 5.206 19.292 ( 0.573 0.000 -1.899) 1.983 21.989 ( 0.444 0.000 0.068) 0.449 22.039 ( -0.126 0.000 -0.198) 0.234 22.166 ( 2.449 0.000 0.028) 2.450 22.281 ( 2.455 0.000 2.514) 3.514 22.567 ( 0.409 0.000 0.676) 0.791 22.616 ( 0.561 0.000 1.400) 1.508 22.682 ( 0.737 0.000 -0.688) 1.008 22.844 ( 0.337 0.000 2.307) 2.331 27.198 ( -0.550 0.000 -1.638) 1.728 27.254 ( -0.629 0.000 -1.008) 1.188 27.286 ( -2.402 0.000 0.863) 2.552 27.360 ( -3.062 0.000 1.136) 3.266 27.601 ( -0.828 0.000 -1.844) 2.022 27.620 ( -1.161 0.000 -0.871) 1.451 27.781 ( 0.279 0.000 2.927) 2.940 27.808 ( 0.058 0.000 2.935) 2.936 35.636 ( -2.374 0.000 -0.076) 2.375 35.759 ( -3.593 0.000 5.727) 6.761 36.033 ( -8.933 0.000 7.851) 11.893 36.267 ( -0.069 0.000 -5.955) 5.955 36.550 ( 8.897 0.000 -2.664) 9.287 36.821 ( 4.982 0.000 -6.964) 8.563 37.177 ( 5.706 0.000 3.999) 6.967 37.587 ( -0.982 0.000 -1.633) 1.905 37.835 ( -4.244 0.000 -2.371) 4.861 37.896 ( -3.222 0.000 5.471) 6.349 38.163 ( -13.978 0.000 -7.893) 16.053 38.734 ( -7.838 0.000 -0.579) 7.859 38.882 ( -9.096 0.000 -11.701) 14.820 39.233 ( 8.243 0.000 7.864) 11.392 39.809 ( -4.767 0.000 19.691) 20.259 40.412 ( -19.435 0.000 -35.694) 40.642 ======================= Grid point 120 (62/84) ======================= q-point: (-0.09 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -22.250 0.000 31.567) 38.620 1.936 ( -20.292 0.000 27.765) 34.390 2.052 ( 2.146 0.000 0.207) 2.156 2.521 ( -15.123 0.000 -19.592) 24.750 2.794 ( 6.364 0.000 -2.511) 6.841 2.800 ( -22.838 0.000 16.703) 28.294 3.046 ( -4.061 0.000 -1.057) 4.197 3.078 ( 7.734 0.000 -8.937) 11.818 3.177 ( -3.949 0.000 3.459) 5.250 3.377 ( -7.040 0.000 3.530) 7.875 3.551 ( -11.936 0.000 -9.817) 15.454 3.684 ( 0.875 0.000 2.645) 2.786 3.687 ( 5.456 0.000 3.691) 6.587 3.963 ( -4.844 0.000 2.262) 5.346 3.980 ( -1.834 0.000 -8.436) 8.633 4.007 ( -7.336 0.000 5.112) 8.942 4.098 ( 7.143 0.000 -10.746) 12.903 4.375 ( -1.537 0.000 -0.949) 1.806 4.470 ( -4.692 0.000 -22.210) 22.701 4.737 ( -14.037 0.000 0.320) 14.041 4.876 ( 2.190 0.000 0.433) 2.232 4.884 ( -3.093 0.000 -1.463) 3.422 4.951 ( 4.053 0.000 8.810) 9.698 5.046 ( -0.111 0.000 1.195) 1.200 5.240 ( -7.487 0.000 -0.115) 7.488 5.271 ( 2.205 0.000 -5.756) 6.164 5.391 ( 0.213 0.000 -3.323) 3.330 5.486 ( -6.638 0.000 6.127) 9.034 5.489 ( 0.094 0.000 -0.364) 0.376 5.516 ( -3.214 0.000 -4.297) 5.366 5.597 ( -2.423 0.000 -1.601) 2.904 5.671 ( 4.225 0.000 4.332) 6.051 5.828 ( -0.864 0.000 -0.394) 0.950 5.891 ( 3.782 0.000 1.775) 4.178 6.067 ( -5.158 0.000 -3.767) 6.387 6.071 ( 4.663 0.000 7.788) 9.077 6.120 ( 0.248 0.000 1.284) 1.308 6.188 ( 0.784 0.000 -0.010) 0.784 6.234 ( 5.803 0.000 2.823) 6.453 6.292 ( 1.122 0.000 1.375) 1.775 6.439 ( -1.880 0.000 6.589) 6.852 6.546 ( 6.464 0.000 -5.398) 8.421 6.660 ( -2.492 0.000 -4.622) 5.251 6.698 ( 6.300 0.000 6.957) 9.385 6.809 ( -0.097 0.000 1.577) 1.580 6.939 ( -2.899 0.000 3.012) 4.181 7.017 ( 5.940 0.000 -0.212) 5.944 7.025 ( 1.185 0.000 -1.284) 1.748 7.186 ( 10.012 0.000 3.150) 10.496 7.363 ( -6.286 0.000 1.816) 6.543 7.374 ( -1.837 0.000 -5.404) 5.708 7.459 ( -4.820 0.000 4.977) 6.929 7.585 ( -4.324 0.000 3.395) 5.498 7.638 ( 1.646 0.000 -7.127) 7.315 7.669 ( -0.430 0.000 4.237) 4.259 7.726 ( -2.151 0.000 -0.409) 2.190 7.864 ( 2.091 0.000 -2.242) 3.066 7.889 ( 0.269 0.000 -3.556) 3.566 8.006 ( 1.324 0.000 7.427) 7.544 8.255 ( 1.766 0.000 2.119) 2.759 8.402 ( 2.862 0.000 1.018) 3.037 8.461 ( 4.392 0.000 -5.272) 6.862 8.719 ( -0.826 0.000 1.673) 1.866 8.778 ( 4.302 0.000 -6.668) 7.936 8.812 ( -0.833 0.000 3.958) 4.045 8.903 ( 1.363 0.000 -1.721) 2.195 8.941 ( 0.187 0.000 1.476) 1.488 9.079 ( -1.093 0.000 1.419) 1.791 9.081 ( -3.110 0.000 -4.141) 5.179 9.145 ( -0.242 0.000 0.702) 0.743 9.398 ( 2.144 0.000 1.201) 2.458 9.568 ( -4.651 0.000 0.261) 4.658 9.676 ( 4.854 0.000 -0.625) 4.894 9.816 ( 1.551 0.000 0.189) 1.563 9.864 ( 5.271 0.000 -1.511) 5.483 10.145 ( -0.972 0.000 -1.401) 1.705 10.857 ( -9.879 0.000 -0.372) 9.886 11.030 ( -12.875 0.000 -5.411) 13.966 11.329 ( -1.974 0.000 1.859) 2.711 11.495 ( -5.523 0.000 0.862) 5.590 11.584 ( 3.619 0.000 -0.226) 3.626 11.638 ( 2.969 0.000 0.829) 3.083 11.774 ( 9.121 0.000 5.266) 10.532 11.956 ( 0.611 0.000 0.326) 0.692 11.991 ( 4.106 0.000 4.119) 5.816 12.161 ( -2.856 0.000 -2.971) 4.121 12.163 ( -1.292 0.000 -1.866) 2.269 12.219 ( -2.744 0.000 -2.776) 3.903 12.693 ( -1.736 0.000 -0.981) 1.994 12.697 ( -0.337 0.000 -1.524) 1.561 12.860 ( -6.562 0.000 2.276) 6.945 12.873 ( -1.941 0.000 -3.755) 4.227 13.172 ( 6.752 0.000 -2.771) 7.299 13.261 ( -2.385 0.000 6.062) 6.515 13.413 ( 6.619 0.000 2.921) 7.235 13.554 ( 5.741 0.000 5.252) 7.781 13.779 ( 2.372 0.000 1.922) 3.053 14.007 ( 6.834 0.000 -2.412) 7.247 14.043 ( 5.219 0.000 0.339) 5.230 14.122 ( -2.103 0.000 -2.005) 2.905 14.202 ( 1.458 0.000 -12.869) 12.952 14.516 ( -11.512 0.000 -4.391) 12.321 14.522 ( 6.305 0.000 4.905) 7.988 14.572 ( -1.391 0.000 2.690) 3.028 14.873 ( -3.153 0.000 -3.016) 4.363 15.033 ( -10.920 0.000 5.322) 12.148 15.186 ( -7.277 0.000 7.619) 10.536 15.396 ( 0.817 0.000 -17.633) 17.652 15.471 ( 7.281 0.000 7.450) 10.417 15.711 ( -5.060 0.000 1.079) 5.174 15.894 ( 6.267 0.000 0.995) 6.346 15.974 ( -3.190 0.000 2.056) 3.795 16.054 ( 0.224 0.000 -5.388) 5.393 16.202 ( -3.856 0.000 -2.979) 4.873 16.528 ( 8.715 0.000 6.871) 11.098 16.802 ( 8.800 0.000 1.520) 8.931 17.000 ( 2.531 0.000 3.736) 4.513 17.068 ( 4.645 0.000 -1.736) 4.959 17.076 ( 0.114 0.000 -7.900) 7.901 17.350 ( 1.085 0.000 -2.208) 2.460 17.508 ( -8.841 0.000 1.845) 9.031 17.579 ( -0.283 0.000 -4.876) 4.884 17.672 ( 2.167 0.000 -1.629) 2.711 17.692 ( 0.099 0.000 -1.134) 1.138 17.767 ( 1.922 0.000 1.676) 2.550 17.969 ( -2.077 0.000 -0.757) 2.210 18.199 ( 2.233 0.000 4.940) 5.422 18.395 ( 1.931 0.000 -4.620) 5.007 18.528 ( -5.154 0.000 11.094) 12.233 18.576 ( 8.642 0.000 2.742) 9.067 18.632 ( 4.004 0.000 -3.273) 5.172 18.782 ( 2.644 0.000 -1.601) 3.091 18.865 ( 13.446 0.000 -1.864) 13.574 18.942 ( 2.101 0.000 2.620) 3.358 19.094 ( 3.335 0.000 -4.016) 5.220 19.265 ( -2.654 0.000 -1.375) 2.989 21.999 ( 0.565 0.000 0.204) 0.601 22.032 ( -0.440 0.000 -0.354) 0.565 22.261 ( 7.544 0.000 0.936) 7.602 22.328 ( 0.759 0.000 2.823) 2.924 22.598 ( 2.478 0.000 1.804) 3.065 22.639 ( 1.074 0.000 2.506) 2.727 22.686 ( 0.171 0.000 -1.336) 1.347 22.834 ( -2.691 0.000 1.494) 3.078 27.195 ( 1.079 0.000 -1.205) 1.618 27.244 ( -2.431 0.000 0.856) 2.577 27.245 ( 0.148 0.000 -0.710) 0.725 27.300 ( -3.530 0.000 0.352) 3.548 27.579 ( -0.554 0.000 -1.112) 1.242 27.593 ( -1.216 0.000 -0.693) 1.399 27.805 ( 0.642 0.000 2.435) 2.518 27.821 ( -0.173 0.000 2.517) 2.523 35.636 ( 3.308 0.000 -2.712) 4.277 35.702 ( -6.013 0.000 5.645) 8.248 35.954 ( -3.283 0.000 7.080) 7.805 36.193 ( -4.004 0.000 -4.917) 6.341 36.763 ( 11.294 0.000 2.810) 11.638 36.914 ( 8.333 0.000 -6.293) 10.442 37.290 ( 4.934 0.000 4.255) 6.515 37.564 ( 2.376 0.000 -3.519) 4.245 37.739 ( -5.672 0.000 -0.934) 5.748 37.871 ( -1.372 0.000 2.907) 3.214 37.947 ( -3.385 0.000 -5.492) 6.452 38.584 ( -7.155 0.000 -2.610) 7.616 38.665 ( -6.761 0.000 -10.978) 12.893 39.258 ( -35.639 0.000 -21.363) 41.551 39.766 ( -4.850 0.000 -9.977) 11.093 39.830 ( -4.134 0.000 15.708) 16.243 ======================= Grid point 121 (63/84) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -10.721 1.832 34.900) 36.556 1.748 ( -3.379 13.146 29.059) 32.073 2.174 ( 4.580 -0.185 -0.570) 4.619 2.358 ( 6.429 3.988 -15.204) 16.982 2.636 ( 2.554 -23.271 -12.659) 26.615 2.703 ( -4.388 -5.017 -3.140) 7.368 2.785 ( 1.522 -10.234 -1.654) 10.478 2.861 ( 1.472 -4.118 -10.376) 11.260 3.099 ( -3.861 -16.761 3.772) 17.608 3.262 ( 5.471 -5.760 -7.509) 10.931 3.443 ( 0.171 7.725 6.329) 9.988 3.557 ( 5.054 -8.916 -8.412) 13.258 3.679 ( -5.649 12.599 21.732) 25.747 4.059 ( 1.078 7.781 0.732) 7.889 4.099 ( 0.371 9.770 -4.244) 10.659 4.231 ( -0.073 14.651 -2.400) 14.846 4.325 ( -6.422 5.626 0.672) 8.564 4.466 ( 6.143 16.462 -7.285) 19.021 4.519 ( -9.823 2.702 -1.416) 10.285 4.564 ( 4.197 7.358 -10.018) 13.119 4.819 ( -2.291 -3.283 7.198) 8.237 4.878 ( -0.194 -1.256 0.760) 1.481 4.957 ( 8.901 -6.095 2.240) 11.018 5.008 ( -10.284 -5.349 1.060) 11.640 5.140 ( 1.721 -6.186 3.568) 7.346 5.204 ( -1.085 -10.779 -3.757) 11.466 5.250 ( 0.479 5.511 1.317) 5.687 5.300 ( -8.483 -0.880 -2.694) 8.944 5.517 ( 1.788 -5.219 4.168) 6.914 5.576 ( 0.535 3.505 1.090) 3.709 5.596 ( 0.376 3.588 0.236) 3.616 5.698 ( 2.675 -3.270 -5.882) 7.242 5.752 ( -1.650 -10.378 3.193) 10.983 5.812 ( -1.620 -4.310 -0.090) 4.606 6.083 ( 8.066 7.000 3.049) 11.107 6.112 ( -6.087 -2.487 2.046) 6.887 6.133 ( -0.675 -6.313 3.702) 7.349 6.204 ( 4.423 2.235 -1.936) 5.321 6.267 ( -0.023 6.182 4.153) 7.447 6.388 ( -0.467 5.741 -4.008) 7.017 6.521 ( -1.384 2.400 6.307) 6.889 6.617 ( -3.183 3.581 1.023) 4.899 6.667 ( 2.210 -2.172 1.722) 3.545 6.749 ( 6.621 2.500 -1.986) 7.350 6.860 ( -2.110 -2.500 4.788) 5.799 6.906 ( 4.954 1.101 -2.479) 5.647 6.952 ( 4.899 -6.494 -0.969) 8.192 7.053 ( -3.064 -6.804 -4.669) 8.802 7.157 ( 1.076 -4.615 2.733) 5.470 7.265 ( -2.901 -6.461 -6.372) 9.527 7.370 ( 4.938 -1.818 2.982) 6.048 7.435 ( -0.517 1.833 -1.869) 2.668 7.545 ( -0.999 0.026 0.663) 1.199 7.576 ( -0.215 -2.894 -1.333) 3.193 7.694 ( -3.916 0.328 0.003) 3.930 7.749 ( -1.310 1.274 -1.841) 2.595 7.794 ( 0.733 -1.920 -0.471) 2.108 7.884 ( 4.142 -2.300 -6.624) 8.144 8.183 ( 1.967 3.777 5.096) 6.641 8.317 ( -2.706 3.275 -1.990) 4.691 8.381 ( -4.141 -1.299 0.542) 4.373 8.423 ( 2.457 0.436 0.762) 2.609 8.653 ( -2.425 -4.189 2.203) 5.318 8.735 ( 3.260 -1.175 -3.903) 5.219 8.833 ( -4.777 -0.352 5.467) 7.269 8.919 ( 2.308 -3.492 -1.010) 4.305 8.980 ( -0.884 3.068 2.334) 3.954 9.004 ( 1.818 0.391 0.722) 1.994 9.196 ( 0.234 5.927 1.756) 6.186 9.244 ( -2.864 5.551 -1.698) 6.472 9.476 ( -1.711 2.253 0.863) 2.958 9.499 ( 2.096 2.961 -0.752) 3.705 9.760 ( -0.620 0.942 -0.110) 1.133 9.791 ( 1.438 1.071 -2.612) 3.168 9.964 ( 4.910 -2.426 2.672) 6.093 10.027 ( -5.709 -3.482 -2.896) 7.287 10.784 ( 1.251 0.250 0.606) 1.413 10.803 ( -3.967 -0.731 -1.036) 4.165 11.356 ( 1.549 1.333 2.968) 3.604 11.392 ( -2.702 0.026 -0.186) 2.708 11.685 ( 3.107 -0.221 0.523) 3.159 11.691 ( -0.405 0.089 -0.016) 0.415 11.893 ( 2.366 -0.737 2.863) 3.787 11.924 ( 2.061 -1.765 0.475) 2.755 12.084 ( -1.028 -0.100 0.935) 1.394 12.112 ( -2.003 1.217 0.499) 2.396 12.120 ( 0.404 -0.421 -3.013) 3.069 12.176 ( 0.047 -0.214 -3.932) 3.938 12.691 ( -0.759 2.004 -0.181) 2.151 12.705 ( -0.231 2.414 -1.235) 2.722 12.807 ( -0.693 1.636 2.915) 3.413 12.890 ( 0.913 1.575 -4.155) 4.536 13.150 ( -4.949 -2.041 3.721) 6.519 13.215 ( 4.779 -4.242 -1.716) 6.617 13.505 ( 0.374 -5.817 4.954) 7.650 13.567 ( 3.240 -6.901 0.235) 7.627 13.906 ( -0.164 4.144 4.645) 6.227 14.042 ( -3.640 -1.397 -2.389) 4.572 14.098 ( 0.546 2.923 -1.051) 3.153 14.120 ( -3.306 4.338 -4.965) 7.375 14.179 ( 0.857 0.119 1.647) 1.860 14.248 ( -4.425 0.135 -4.720) 6.471 14.540 ( -0.707 -1.710 0.075) 1.852 14.557 ( 1.144 -4.038 -0.896) 4.291 14.889 ( 3.381 2.906 4.146) 6.088 14.951 ( -1.048 1.293 0.712) 1.810 15.158 ( -6.455 7.336 5.229) 11.083 15.411 ( 2.607 0.722 -12.586) 12.873 15.631 ( 0.798 -3.465 0.146) 3.559 15.669 ( 7.748 -1.495 -4.340) 9.006 15.938 ( 3.483 1.134 3.701) 5.207 15.996 ( 5.870 -0.102 2.683) 6.454 16.029 ( -3.856 2.219 -2.462) 5.084 16.102 ( -6.019 0.895 -5.174) 7.988 16.699 ( 1.966 0.238 8.522) 8.749 16.875 ( -2.888 -4.132 -5.992) 7.831 16.909 ( -0.147 -3.426 3.247) 4.723 16.973 ( 4.074 -4.521 -1.529) 6.275 17.195 ( 0.349 -1.244 0.077) 1.295 17.238 ( -5.899 -2.362 -3.953) 7.484 17.471 ( 2.359 3.869 1.733) 4.851 17.547 ( 0.058 0.576 -4.635) 4.671 17.714 ( -0.297 3.271 -0.204) 3.291 17.742 ( 1.679 2.516 -1.808) 3.524 17.845 ( 5.314 -1.118 1.929) 5.763 17.887 ( -2.739 -2.489 -2.123) 4.267 18.303 ( -1.493 5.700 8.750) 10.549 18.463 ( -4.389 4.514 0.768) 6.343 18.485 ( -0.733 1.188 3.665) 3.921 18.647 ( 3.694 -1.414 -2.795) 4.843 18.720 ( 5.152 -1.381 -0.673) 5.376 18.754 ( -2.437 -2.340 -2.802) 4.389 18.931 ( -2.607 0.962 4.313) 5.131 19.023 ( 4.216 -2.257 -2.329) 5.320 19.158 ( -0.493 1.929 0.602) 2.080 19.183 ( -5.356 0.861 -0.452) 5.444 22.036 ( -0.318 1.870 -0.098) 1.899 22.043 ( 0.113 1.947 -0.709) 2.075 22.303 ( -1.805 -1.706 1.837) 3.090 22.349 ( 3.460 -3.204 -2.303) 5.248 22.652 ( 0.293 1.159 1.699) 2.078 22.679 ( 0.017 0.362 -0.432) 0.564 22.730 ( 4.370 -0.408 1.265) 4.567 22.757 ( -2.468 -0.849 -0.995) 2.793 27.217 ( -2.018 0.788 0.735) 2.287 27.233 ( 1.919 0.604 -0.615) 2.104 27.246 ( -1.567 -0.021 0.218) 1.582 27.255 ( 1.605 -0.009 -0.414) 1.657 27.572 ( -0.321 0.067 -0.359) 0.486 27.574 ( 0.104 0.057 -0.440) 0.455 27.833 ( 0.817 0.426 1.571) 1.821 27.835 ( -0.112 0.444 1.408) 1.481 35.625 ( -3.706 0.846 3.555) 5.204 35.702 ( 5.176 -2.117 -2.531) 6.138 35.978 ( 1.408 0.563 4.736) 4.973 36.064 ( -2.386 -2.299 -2.429) 4.108 36.824 ( -4.879 -1.663 8.324) 9.791 36.947 ( 0.583 -5.484 -3.253) 6.403 37.463 ( 4.944 2.930 2.980) 6.473 37.536 ( -4.966 2.095 -3.102) 6.219 37.798 ( -8.245 -3.692 5.147) 10.397 37.865 ( -2.427 -5.122 0.133) 5.669 37.921 ( -18.137 -0.398 1.488) 18.202 37.995 ( 21.396 -3.806 -4.535) 22.200 38.605 ( -1.476 10.605 1.176) 10.772 38.746 ( -10.976 8.849 -11.757) 18.358 39.809 ( -4.828 2.321 6.255) 8.235 39.964 ( 13.331 -3.069 -7.566) 15.633 ======================= Grid point 122 (64/84) ======================= q-point: ( 0.09 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 0.787 5.998 27.473) 28.131 2.041 ( 17.519 14.832 20.740) 30.936 2.336 ( 13.831 -3.729 -3.197) 14.677 2.429 ( 4.760 3.597 -9.757) 11.437 2.646 ( 3.434 -9.715 -7.144) 12.539 2.744 ( 11.914 -15.235 -2.246) 19.470 2.823 ( 4.809 -10.270 -6.558) 13.100 2.926 ( 8.044 -1.971 -3.822) 9.122 3.080 ( 4.795 -14.802 -4.743) 16.266 3.322 ( 3.360 -7.029 -4.645) 9.070 3.480 ( 2.503 -3.707 -5.404) 7.015 3.644 ( 10.056 -4.839 -2.030) 11.343 3.813 ( 3.322 16.272 23.144) 28.486 4.064 ( 2.117 13.010 -1.421) 13.257 4.111 ( 1.608 10.037 -1.801) 10.323 4.184 ( -5.398 14.449 5.799) 16.479 4.293 ( 3.027 -1.085 -11.740) 12.173 4.351 ( -0.636 6.703 -0.011) 6.733 4.552 ( 5.961 10.641 -1.831) 12.333 4.661 ( 4.053 0.501 1.452) 4.334 4.803 ( -3.465 -1.926 1.916) 4.403 4.874 ( 3.217 -2.673 2.675) 4.964 4.936 ( -4.935 -5.281 0.447) 7.241 5.069 ( 1.056 -4.268 -1.718) 4.721 5.132 ( -4.754 1.938 3.504) 6.215 5.247 ( 10.967 -7.807 3.681) 13.956 5.262 ( 0.888 -8.419 7.343) 11.207 5.359 ( 11.302 0.954 1.602) 11.454 5.505 ( -1.160 3.001 1.100) 3.400 5.583 ( 0.351 -1.734 -0.551) 1.853 5.635 ( 1.399 3.059 -1.482) 3.676 5.721 ( -2.263 -6.136 3.763) 7.545 5.738 ( -1.117 -3.270 -1.388) 3.724 5.792 ( 4.262 -2.923 -1.026) 5.269 5.983 ( -6.268 1.008 -1.518) 6.528 6.091 ( -4.701 0.517 1.783) 5.054 6.109 ( -2.359 -4.768 0.829) 5.384 6.253 ( 0.228 1.025 -2.110) 2.357 6.283 ( -1.087 9.533 -0.205) 9.597 6.422 ( 0.565 5.837 3.163) 6.663 6.516 ( -1.945 1.903 0.138) 2.724 6.535 ( -3.539 6.255 0.359) 7.196 6.658 ( -2.662 -3.433 -2.369) 4.948 6.736 ( -4.362 -5.411 -8.820) 11.229 6.843 ( 2.484 4.160 -5.164) 7.081 6.931 ( 2.988 -2.111 1.969) 4.154 6.997 ( 2.420 0.450 -5.295) 5.840 7.088 ( 1.129 0.079 0.839) 1.408 7.211 ( 1.177 -1.112 6.110) 6.321 7.235 ( 2.028 -6.114 -4.034) 7.600 7.359 ( -1.958 -0.317 -4.474) 4.894 7.474 ( 3.373 -5.308 -1.746) 6.526 7.531 ( -2.649 2.493 3.429) 4.999 7.597 ( 2.262 -4.871 0.706) 5.416 7.644 ( 0.673 -6.339 -3.220) 7.142 7.735 ( -0.363 -2.415 3.162) 3.995 7.823 ( 2.240 1.506 -1.787) 3.237 7.933 ( 4.409 -2.094 -6.868) 8.425 8.239 ( -0.076 -0.447 5.662) 5.680 8.267 ( -0.723 0.025 -2.159) 2.277 8.311 ( -4.392 1.765 2.317) 5.271 8.439 ( -1.285 0.433 1.043) 1.711 8.575 ( -5.610 -3.158 1.200) 6.549 8.721 ( -3.935 2.584 2.730) 5.442 8.787 ( -1.629 -1.533 1.530) 2.710 8.937 ( -0.496 -3.564 -1.495) 3.897 8.979 ( 0.323 4.291 1.019) 4.422 9.049 ( 2.376 -0.951 -1.135) 2.799 9.155 ( -2.873 7.644 1.474) 8.298 9.201 ( -2.366 4.001 2.097) 5.100 9.435 ( -2.292 2.553 0.446) 3.459 9.573 ( 4.364 1.113 -0.103) 4.505 9.723 ( -2.237 2.803 -1.389) 3.846 9.804 ( 0.442 -0.571 -1.197) 1.398 9.878 ( -7.889 -1.038 -2.349) 8.297 10.038 ( 1.052 -4.294 3.488) 5.631 10.859 ( 9.351 1.025 0.546) 9.423 10.915 ( 10.819 -1.150 2.799) 11.235 11.374 ( 1.035 1.579 0.185) 1.897 11.442 ( 5.000 -0.705 3.330) 6.049 11.615 ( -5.370 1.549 -1.012) 5.680 11.692 ( -2.974 -1.357 -1.923) 3.793 11.874 ( -6.324 -0.707 -4.111) 7.576 11.887 ( -2.093 -2.778 -1.414) 3.755 12.088 ( 2.272 -1.089 1.150) 2.770 12.097 ( 0.092 -0.843 2.268) 2.421 12.177 ( 1.276 3.180 -2.031) 3.983 12.189 ( 5.256 0.439 -0.734) 5.325 12.687 ( 0.625 0.332 -0.009) 0.708 12.724 ( 1.866 1.559 1.180) 2.703 12.794 ( -0.497 2.316 0.920) 2.541 12.952 ( 5.590 0.600 -1.820) 5.909 13.076 ( -3.891 1.533 2.357) 4.801 13.306 ( 4.333 -4.759 -1.543) 6.618 13.405 ( -8.424 -1.544 0.361) 8.572 13.596 ( -1.138 -5.646 -2.288) 6.197 13.871 ( -6.114 1.734 0.298) 6.363 13.892 ( -5.876 2.124 5.728) 8.477 14.018 ( -7.854 -0.076 1.021) 7.920 14.050 ( -5.740 0.013 -0.061) 5.741 14.155 ( 4.187 4.609 0.035) 6.227 14.418 ( 10.768 -4.025 3.002) 11.881 14.521 ( -0.435 -0.739 -1.300) 1.557 14.595 ( 2.727 -3.012 -0.577) 4.104 14.972 ( 0.648 3.849 -5.404) 6.666 15.043 ( 9.718 1.888 1.579) 10.025 15.109 ( -0.357 7.171 11.763) 13.781 15.397 ( -0.046 -4.027 -5.238) 6.607 15.644 ( 2.977 -4.629 -6.838) 8.778 15.719 ( 1.369 -4.767 -6.967) 8.552 15.881 ( -5.836 -0.632 -2.462) 6.366 15.933 ( -5.884 -1.357 -1.656) 6.262 16.120 ( 5.971 6.264 1.723) 8.823 16.162 ( 9.152 6.270 2.255) 11.321 16.691 ( -6.617 -1.563 2.669) 7.304 16.759 ( -10.327 1.975 -2.718) 10.860 16.881 ( 1.061 -9.500 2.261) 9.823 16.944 ( -7.583 -4.044 -3.687) 9.351 17.092 ( -1.492 2.214 2.854) 3.909 17.269 ( 0.126 -2.314 2.519) 3.423 17.539 ( 3.429 1.368 -1.619) 4.032 17.545 ( 2.625 -1.034 -4.068) 4.950 17.708 ( 0.287 1.494 -1.906) 2.439 17.742 ( -2.018 2.899 -0.708) 3.602 17.844 ( 1.159 0.452 -4.410) 4.582 17.942 ( 4.081 -0.933 0.112) 4.188 18.297 ( -4.720 4.599 5.822) 8.794 18.363 ( -5.167 3.795 2.463) 6.867 18.505 ( 0.351 0.556 3.833) 3.889 18.628 ( -9.629 -2.046 -2.211) 10.089 18.681 ( 0.275 -0.642 -1.236) 1.420 18.758 ( -2.509 -1.188 -0.402) 2.805 18.832 ( -6.394 2.730 -1.312) 7.075 18.972 ( -5.353 -3.126 -3.509) 7.123 19.093 ( -4.126 2.788 1.575) 5.223 19.179 ( -0.195 -0.935 5.254) 5.340 22.028 ( -0.418 1.793 0.068) 1.842 22.046 ( 0.336 1.765 -0.165) 1.804 22.248 ( -4.367 -0.593 0.504) 4.435 22.349 ( -1.335 -4.063 -2.834) 5.131 22.645 ( -1.610 0.626 -0.624) 1.836 22.658 ( -1.278 0.355 0.043) 1.327 22.708 ( -0.838 1.628 -1.030) 2.101 22.825 ( 3.114 -3.010 -0.258) 4.339 27.186 ( -1.308 0.780 0.365) 1.566 27.223 ( -0.695 -0.622 0.508) 1.062 27.279 ( 2.542 1.315 -0.597) 2.923 27.303 ( 3.403 0.008 0.019) 3.403 27.571 ( 0.389 0.398 -0.064) 0.560 27.585 ( 1.081 -0.167 -0.134) 1.102 27.834 ( -0.359 0.536 0.235) 0.687 27.851 ( 0.401 0.180 0.320) 0.544 35.608 ( 0.632 2.605 1.853) 3.259 35.801 ( 6.326 -5.024 -2.835) 8.562 36.010 ( -1.548 -0.398 1.153) 1.970 36.053 ( 3.456 -0.834 1.386) 3.816 36.693 ( -14.220 0.040 8.822) 16.734 36.789 ( -13.295 -0.569 4.922) 14.188 37.441 ( -5.126 5.967 -2.648) 8.300 37.471 ( -4.005 4.719 7.021) 9.360 37.653 ( 9.082 -1.175 3.545) 9.820 37.786 ( 0.870 -9.345 -0.703) 9.411 38.031 ( 8.525 2.581 -7.051) 11.361 38.344 ( 8.968 -9.842 -0.712) 13.334 38.708 ( 7.659 10.677 1.682) 13.247 38.895 ( 26.622 3.003 15.997) 31.204 39.725 ( -5.296 6.806 0.872) 8.668 40.111 ( 8.828 -7.432 -14.913) 18.856 ======================= Grid point 123 (65/84) ======================= q-point: ( 0.18 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 7.389 8.549 14.965) 18.752 2.437 ( 9.455 -2.905 -5.631) 11.382 2.474 ( 10.193 6.968 15.100) 19.505 2.612 ( 14.701 -2.184 -2.177) 15.021 2.679 ( 3.427 -4.304 -2.908) 6.223 2.904 ( 7.860 -0.237 -2.107) 8.141 2.991 ( 4.694 -5.291 -0.283) 7.079 3.079 ( 14.864 -5.646 3.757) 16.338 3.219 ( 14.349 -6.959 -15.676) 22.362 3.414 ( 10.121 -14.370 -0.937) 17.601 3.550 ( 10.061 -0.282 -9.237) 13.661 3.806 ( 2.306 -6.146 -5.111) 8.319 3.997 ( 9.619 8.430 9.519) 15.944 4.035 ( -5.655 12.876 2.678) 14.316 4.134 ( 1.545 7.356 -6.322) 9.822 4.171 ( 5.406 4.775 3.362) 7.958 4.344 ( 10.507 2.360 -4.973) 11.861 4.460 ( -0.927 5.544 3.038) 6.389 4.583 ( -6.175 1.342 3.407) 7.179 4.675 ( 3.173 2.758 9.306) 10.211 4.787 ( 4.832 0.868 0.873) 4.986 4.913 ( -3.116 -7.374 0.734) 8.039 4.984 ( 7.541 -2.137 -0.839) 7.883 5.024 ( -0.366 3.684 -0.455) 3.730 5.175 ( 0.900 1.207 6.300) 6.478 5.257 ( -0.738 -3.217 -2.313) 4.030 5.451 ( 1.346 -6.662 7.121) 9.844 5.508 ( 4.608 6.368 2.188) 8.159 5.528 ( 2.460 2.658 0.567) 3.666 5.574 ( -0.994 3.116 1.956) 3.811 5.632 ( -3.055 -5.731 1.165) 6.598 5.763 ( 4.116 -9.659 -2.495) 10.792 5.799 ( 6.632 -8.581 4.521) 11.749 5.877 ( 2.267 -3.414 -0.470) 4.125 5.894 ( 1.723 7.061 0.198) 7.271 6.063 ( 3.539 -1.840 1.023) 4.118 6.095 ( 2.971 -1.923 -0.643) 3.597 6.167 ( -9.100 1.452 -2.986) 9.687 6.224 ( -3.398 -0.896 -3.910) 5.257 6.356 ( -3.882 4.644 2.008) 6.377 6.424 ( -0.607 5.731 -4.349) 7.220 6.547 ( -5.828 -5.556 -0.262) 8.057 6.592 ( 3.047 5.543 1.372) 6.473 6.700 ( 3.671 -1.749 -10.664) 11.413 6.859 ( 1.081 6.914 -5.637) 8.987 6.987 ( 3.350 3.318 -0.662) 4.761 7.026 ( 1.853 2.239 -0.360) 2.929 7.105 ( 1.657 3.627 0.786) 4.064 7.185 ( -3.389 3.973 -0.551) 5.251 7.250 ( -2.166 -3.711 4.360) 6.121 7.352 ( 3.820 -6.095 -8.076) 10.815 7.479 ( -2.637 1.934 3.874) 5.070 7.529 ( 3.894 -4.006 -3.326) 6.502 7.640 ( 2.098 -5.528 -0.715) 5.956 7.672 ( 3.104 -5.478 -5.199) 8.165 7.746 ( -1.071 -0.914 3.105) 3.409 7.841 ( 0.462 -4.013 -0.673) 4.095 7.952 ( 0.906 -2.922 -3.977) 5.017 8.178 ( -7.072 -3.952 -0.178) 8.103 8.242 ( -3.740 6.870 2.531) 8.222 8.314 ( 2.639 -5.296 6.329) 8.664 8.366 ( -6.298 2.178 -0.309) 6.671 8.541 ( 2.163 1.017 0.518) 2.445 8.664 ( -4.135 3.678 6.593) 8.608 8.785 ( 0.139 -0.359 2.578) 2.607 8.887 ( -2.034 -0.997 -4.432) 4.977 9.003 ( 2.108 3.501 -0.974) 4.202 9.071 ( 1.721 -3.398 -2.114) 4.356 9.147 ( -2.360 1.327 0.738) 2.807 9.179 ( 0.647 3.770 4.157) 5.649 9.387 ( -3.220 2.735 1.302) 4.421 9.628 ( -0.525 -2.929 -1.553) 3.357 9.659 ( -1.853 3.424 -2.959) 4.890 9.755 ( -3.603 5.181 0.757) 6.356 9.794 ( -0.896 -2.839 -0.705) 3.059 10.047 ( -1.675 -4.107 3.367) 5.569 11.089 ( 12.734 0.688 0.680) 12.771 11.151 ( 10.113 -1.167 4.202) 11.013 11.390 ( 0.591 1.526 -1.663) 2.334 11.512 ( -0.278 -3.093 -0.251) 3.116 11.592 ( 2.409 1.631 3.688) 4.697 11.622 ( 0.004 1.223 0.304) 1.260 11.715 ( -5.386 0.920 -5.415) 7.692 11.832 ( -2.328 -6.411 -2.788) 7.368 12.119 ( -0.331 0.187 1.378) 1.429 12.146 ( 2.479 1.705 1.834) 3.523 12.169 ( 1.160 1.739 -2.396) 3.180 12.287 ( 4.650 0.602 -1.294) 4.864 12.693 ( -0.292 1.027 0.478) 1.170 12.793 ( 3.578 -1.894 3.483) 5.340 12.806 ( 1.407 2.785 -0.292) 3.134 12.973 ( -2.734 -2.690 0.907) 3.941 13.108 ( 5.619 5.060 -0.708) 7.594 13.216 ( -6.190 2.430 -1.634) 6.848 13.419 ( 3.354 -3.312 -0.354) 4.727 13.533 ( -1.740 -2.209 -3.943) 4.843 13.778 ( -2.966 1.581 0.415) 3.386 13.826 ( -6.149 1.227 6.470) 9.010 13.867 ( -8.659 -1.353 1.119) 8.835 13.940 ( -6.660 -0.377 1.899) 6.936 14.242 ( 4.088 1.175 0.487) 4.282 14.463 ( -3.111 -4.690 -5.317) 7.743 14.568 ( 3.642 0.206 -0.160) 3.651 14.712 ( 7.854 -2.691 6.051) 10.273 14.905 ( -2.587 7.617 -2.393) 8.392 15.129 ( -2.448 -3.311 -2.855) 5.011 15.239 ( 6.430 4.616 5.691) 9.749 15.421 ( 3.940 1.476 3.091) 5.221 15.631 ( -1.791 -4.091 -10.891) 11.771 15.682 ( -0.841 -6.989 -1.201) 7.141 15.778 ( -2.365 -2.664 -5.781) 6.790 15.838 ( -5.359 -3.130 1.616) 6.413 16.209 ( 0.790 9.995 3.347) 10.570 16.311 ( 3.100 6.850 0.676) 7.549 16.509 ( -12.981 -2.513 1.402) 13.296 16.535 ( -4.957 -1.392 -8.459) 9.903 16.823 ( -4.961 0.032 5.123) 7.132 16.935 ( 0.964 -5.180 4.967) 7.241 17.095 ( -0.091 1.016 2.097) 2.332 17.253 ( -2.164 -1.160 1.765) 3.024 17.552 ( -0.156 -1.010 -0.873) 1.344 17.577 ( 1.603 -1.009 -3.286) 3.793 17.679 ( -2.530 1.360 -3.399) 4.450 17.707 ( 0.593 -1.131 -3.959) 4.160 17.842 ( -1.407 4.012 -3.032) 5.222 17.979 ( -1.010 -0.231 0.479) 1.142 18.181 ( -5.984 1.505 -1.316) 6.309 18.326 ( -4.304 -1.618 2.939) 5.457 18.400 ( -10.437 -0.022 2.724) 10.787 18.502 ( -7.878 -1.871 5.262) 9.657 18.588 ( -3.899 4.491 -0.196) 5.951 18.680 ( -3.045 1.128 -0.539) 3.291 18.768 ( -1.663 -0.102 -5.371) 5.623 18.861 ( -3.917 -4.544 -5.902) 8.416 19.043 ( -2.169 4.302 2.988) 5.669 19.191 ( -1.384 -2.040 5.204) 5.758 22.022 ( -0.382 2.132 0.192) 2.175 22.050 ( 0.055 1.530 0.161) 1.540 22.170 ( -3.621 -0.011 -0.276) 3.632 22.291 ( -3.017 -4.071 -2.288) 5.560 22.607 ( -1.320 0.914 -1.594) 2.262 22.637 ( -0.990 -0.578 -0.664) 1.325 22.696 ( -0.604 2.757 0.303) 2.838 22.842 ( -0.775 -3.146 -0.148) 3.243 27.177 ( 0.131 0.535 0.556) 0.782 27.220 ( 0.102 -1.162 0.494) 1.267 27.325 ( 2.505 1.890 -0.149) 3.141 27.367 ( 3.219 -0.232 0.158) 3.232 27.584 ( 0.941 0.686 0.204) 1.182 27.608 ( 1.265 -0.232 0.012) 1.286 27.824 ( -0.588 0.414 -0.602) 0.938 27.849 ( -0.494 -0.180 -0.630) 0.820 35.666 ( 4.703 3.220 0.516) 5.723 35.885 ( 4.185 -2.110 -3.127) 5.634 35.995 ( -1.701 -3.716 4.903) 6.383 36.137 ( 4.774 -4.325 -1.254) 6.563 36.499 ( -7.735 6.478 8.125) 12.954 36.646 ( -7.006 1.692 7.885) 10.683 37.357 ( -3.207 6.007 -2.892) 7.398 37.496 ( 0.013 3.740 4.970) 6.220 37.780 ( 3.420 -4.376 -1.140) 5.670 37.917 ( 11.900 -9.478 1.812) 15.321 38.135 ( 7.947 1.197 -8.572) 11.750 38.435 ( 3.931 -12.005 -0.172) 12.633 38.948 ( 12.427 16.567 9.091) 22.618 39.414 ( 11.872 4.125 10.853) 16.606 39.729 ( 9.188 1.042 8.449) 12.526 40.160 ( 6.699 -8.517 -17.568) 20.641 ======================= Grid point 124 (66/84) ======================= q-point: ( 0.27 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 7.411 6.419 3.434) 10.388 2.511 ( 0.908 -5.822 4.971) 7.709 2.694 ( 6.714 -1.301 -8.091) 10.594 2.784 ( 6.811 -0.847 -1.396) 7.004 2.849 ( 11.725 1.553 15.705) 19.661 3.072 ( 9.385 -3.271 -2.912) 10.356 3.131 ( 12.902 9.239 8.387) 17.949 3.313 ( 12.714 -0.671 -7.808) 14.935 3.490 ( 15.924 -1.498 -3.581) 16.390 3.570 ( 2.520 -6.542 -3.204) 7.708 3.687 ( 6.087 -1.366 -8.867) 10.842 3.772 ( 2.828 -3.332 -5.526) 7.045 3.938 ( -0.618 -1.089 -2.804) 3.071 4.081 ( -1.986 -5.310 -2.242) 6.096 4.207 ( 5.738 5.335 4.703) 9.138 4.291 ( 4.530 9.995 -6.164) 12.586 4.373 ( -5.486 1.218 6.379) 8.501 4.576 ( 6.607 2.038 1.739) 7.130 4.635 ( 14.384 0.788 2.911) 14.696 4.701 ( -3.486 -6.254 2.809) 7.692 4.847 ( 0.313 -0.822 0.618) 1.075 4.939 ( 2.903 1.240 4.992) 5.906 5.051 ( 0.394 1.821 -0.984) 2.107 5.082 ( 5.288 -4.186 -0.965) 6.813 5.158 ( -6.385 -3.031 0.602) 7.093 5.267 ( 4.576 7.294 1.036) 8.673 5.391 ( -5.686 -3.454 2.124) 6.983 5.486 ( -4.079 5.261 3.195) 7.384 5.513 ( -3.113 1.057 -0.046) 3.288 5.605 ( -4.635 -1.946 1.125) 5.151 5.661 ( 1.602 -1.231 -0.677) 2.130 5.765 ( -3.445 -2.492 -4.472) 6.171 5.838 ( 2.173 0.322 -0.031) 2.197 5.882 ( -2.706 5.241 0.468) 5.917 5.924 ( 1.020 -1.942 1.253) 2.526 6.059 ( 1.378 1.239 0.271) 1.873 6.142 ( 0.488 -3.090 -1.252) 3.369 6.221 ( 2.721 -2.961 -0.412) 4.043 6.249 ( 7.383 -2.989 7.328) 10.824 6.350 ( 6.127 1.104 -1.669) 6.446 6.408 ( -6.879 -7.160 -1.698) 10.073 6.523 ( 7.365 -1.227 2.799) 7.974 6.673 ( 5.284 4.839 0.109) 7.166 6.706 ( 2.978 2.734 -4.302) 5.903 6.901 ( 5.935 8.230 -1.734) 10.294 6.979 ( -2.658 0.959 -0.274) 2.840 7.083 ( 1.242 4.579 2.268) 5.259 7.125 ( -2.912 4.110 0.514) 5.064 7.172 ( 0.940 -1.760 0.699) 2.114 7.214 ( 5.476 -0.336 -3.420) 6.465 7.405 ( 6.152 -3.796 -8.178) 10.915 7.488 ( 0.480 5.043 1.728) 5.353 7.557 ( -0.124 -1.128 -3.760) 3.927 7.637 ( -0.695 -2.137 0.234) 2.259 7.705 ( 0.056 -3.118 -3.487) 4.678 7.736 ( 2.121 -1.481 0.264) 2.600 7.863 ( 2.302 -8.510 -1.127) 8.888 7.935 ( -1.346 -6.879 -3.438) 7.807 8.038 ( -6.243 2.694 2.119) 7.122 8.193 ( -2.397 1.859 1.524) 3.395 8.234 ( -5.466 3.264 -0.460) 6.384 8.404 ( 0.317 -10.046 9.862) 14.081 8.619 ( 3.346 8.567 1.500) 9.319 8.656 ( 3.252 2.258 -1.418) 4.205 8.794 ( -0.962 0.179 3.030) 3.184 8.863 ( 1.772 0.047 -3.327) 3.770 9.031 ( 0.540 3.166 -0.868) 3.327 9.080 ( 0.693 -0.526 -2.871) 3.000 9.133 ( 1.296 -3.635 1.535) 4.153 9.199 ( -0.815 -1.049 1.572) 2.058 9.351 ( -1.596 2.371 4.018) 4.931 9.551 ( -2.573 -1.481 -1.930) 3.541 9.648 ( -0.035 3.568 -2.575) 4.400 9.725 ( -1.235 2.851 -0.749) 3.196 9.784 ( 0.227 -1.192 1.058) 1.610 10.017 ( -3.087 -2.883 2.525) 4.921 11.182 ( -3.244 0.113 2.022) 3.825 11.246 ( -1.023 -1.230 -1.370) 2.107 11.451 ( 1.203 1.597 -3.771) 4.268 11.550 ( 8.161 -0.729 0.803) 8.233 11.572 ( 3.256 0.858 -2.982) 4.498 11.712 ( 1.354 -3.258 -2.081) 4.096 11.721 ( 5.804 0.588 5.692) 8.150 11.838 ( 5.086 -2.850 3.872) 6.999 12.083 ( -1.683 5.231 -3.215) 6.366 12.190 ( 1.452 -0.370 -1.542) 2.150 12.218 ( 2.950 -0.249 3.972) 4.954 12.336 ( 2.183 0.163 -3.171) 3.854 12.674 ( -2.129 2.576 0.250) 3.351 12.830 ( 1.042 -1.663 0.222) 1.975 12.855 ( 0.504 -0.657 1.781) 1.964 12.949 ( -0.085 -0.609 2.136) 2.223 13.108 ( -3.504 1.738 1.747) 4.283 13.161 ( -1.286 -0.502 -7.247) 7.378 13.484 ( 3.821 0.975 2.112) 4.473 13.520 ( 0.358 1.591 -0.811) 1.822 13.703 ( -7.622 -0.958 0.369) 7.691 13.768 ( -1.018 -0.547 2.269) 2.547 13.771 ( 0.696 0.692 0.793) 1.262 13.827 ( -6.145 1.388 1.097) 6.394 14.275 ( -1.736 -2.584 -3.393) 4.604 14.362 ( -2.081 -3.405 -3.061) 5.030 14.641 ( 4.095 1.036 1.124) 4.371 14.826 ( 0.494 2.704 2.265) 3.562 14.929 ( 4.980 0.766 4.929) 7.048 15.045 ( -2.430 -4.651 -3.970) 6.580 15.319 ( -1.190 5.495 4.229) 7.035 15.450 ( -4.787 1.155 -0.227) 4.930 15.517 ( -1.576 -1.027 -9.579) 9.762 15.647 ( -7.610 -6.798 3.908) 10.927 15.715 ( -4.393 -1.703 -2.199) 5.200 15.748 ( -0.185 -2.854 -0.009) 2.860 16.136 ( -9.156 7.580 3.501) 12.391 16.190 ( -8.771 1.593 -1.305) 9.010 16.393 ( 0.032 -0.452 -10.618) 10.627 16.529 ( 1.652 -0.951 -3.624) 4.094 16.785 ( -3.523 4.174 13.146) 14.236 16.970 ( -0.176 -1.776 6.547) 6.786 17.109 ( 0.265 -0.564 2.045) 2.138 17.225 ( -1.315 -0.860 0.160) 1.579 17.533 ( -1.071 -0.686 -0.834) 1.521 17.583 ( 0.645 -1.088 -2.869) 3.135 17.619 ( -1.537 0.906 -4.611) 4.944 17.679 ( -1.282 -1.747 -4.826) 5.290 17.738 ( -7.055 4.199 0.187) 8.212 17.909 ( -5.814 -1.585 1.325) 6.170 18.092 ( -3.860 0.218 -0.423) 3.889 18.205 ( -3.520 -3.641 -0.061) 5.065 18.322 ( -6.121 1.460 5.082) 8.089 18.394 ( -2.131 -1.253 2.567) 3.564 18.550 ( -3.091 1.673 -2.229) 4.162 18.618 ( -2.414 2.304 0.331) 3.353 18.689 ( -3.947 -0.385 -4.425) 5.942 18.765 ( -3.160 -3.511 -5.494) 7.245 19.044 ( 0.549 3.742 2.006) 4.281 19.186 ( -1.501 -2.083 3.485) 4.328 22.015 ( -0.406 2.355 0.107) 2.392 22.049 ( -0.326 1.299 0.227) 1.358 22.119 ( -1.905 -0.124 0.275) 1.929 22.225 ( -2.834 -3.531 -1.685) 4.831 22.584 ( -0.464 0.873 -0.918) 1.349 22.616 ( -0.751 -0.430 -0.720) 1.125 22.684 ( -0.865 2.226 0.391) 2.420 22.808 ( -2.537 -2.493 -0.065) 3.558 27.195 ( 1.278 -0.055 0.830) 1.525 27.231 ( 0.754 -1.691 0.496) 1.916 27.366 ( 1.832 2.346 0.073) 2.977 27.416 ( 1.883 -0.153 0.006) 1.889 27.605 ( 1.064 0.788 0.336) 1.366 27.629 ( 0.983 -0.145 0.062) 0.996 27.808 ( -0.637 0.224 -0.910) 1.133 27.829 ( -1.046 -0.341 -0.951) 1.454 35.772 ( 5.989 2.441 0.254) 6.472 35.926 ( 1.488 4.025 -1.524) 4.553 36.002 ( 0.454 -7.132 4.536) 8.464 36.192 ( 1.156 -7.860 0.789) 7.983 36.498 ( 2.944 6.924 1.936) 7.769 36.604 ( -1.907 3.117 8.843) 9.568 37.259 ( -5.354 6.319 -5.597) 9.996 37.466 ( -5.730 -0.689 2.941) 6.478 37.857 ( 4.829 0.675 1.795) 5.195 38.097 ( 6.613 -3.742 -3.327) 8.295 38.279 ( 11.549 -7.289 -3.206) 14.028 38.524 ( 5.212 -14.894 1.837) 15.886 39.201 ( 9.453 19.490 7.665) 22.978 39.513 ( 3.735 15.821 -3.110) 16.551 40.032 ( 9.553 -10.677 14.411) 20.321 40.210 ( 7.550 -7.502 -11.943) 15.998 ======================= Grid point 125 (67/84) ======================= q-point: ( 0.36 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 6.691 3.413 0.533) 7.530 2.517 ( -1.275 -4.245 1.751) 4.766 2.728 ( 0.266 3.832 0.793) 3.922 2.880 ( 4.209 -2.858 0.678) 5.132 3.178 ( 12.066 2.402 16.426) 20.522 3.291 ( 13.080 -2.468 -5.721) 14.489 3.366 ( 6.112 1.329 0.905) 6.320 3.461 ( -4.322 0.460 -2.831) 5.187 3.510 ( 13.610 2.943 -10.272) 17.304 3.677 ( 5.785 3.425 0.330) 6.731 3.715 ( -1.139 5.817 -6.325) 8.669 3.800 ( 4.383 -5.553 -0.723) 7.111 4.022 ( 11.138 -6.860 -4.669) 13.889 4.052 ( -4.227 -3.886 0.725) 5.788 4.284 ( 1.785 -2.392 5.549) 6.301 4.353 ( 4.916 5.444 -4.751) 8.740 4.410 ( 6.145 -0.996 4.220) 7.521 4.536 ( -5.123 -1.789 -5.076) 7.431 4.759 ( 1.530 0.721 2.114) 2.707 4.834 ( 6.714 1.118 3.273) 7.553 4.885 ( 4.429 -2.129 -0.082) 4.915 4.960 ( -8.803 -4.601 -1.852) 10.105 5.006 ( -1.538 0.895 -2.271) 2.885 5.080 ( 2.645 -5.393 1.359) 6.159 5.141 ( -0.528 -1.691 2.131) 2.771 5.253 ( -7.606 1.439 -0.999) 7.805 5.355 ( -2.024 -0.762 2.870) 3.594 5.376 ( -2.125 4.258 -1.075) 4.879 5.502 ( -4.436 1.927 1.397) 5.034 5.545 ( 0.668 0.483 0.263) 0.865 5.590 ( -5.792 2.799 -4.517) 7.860 5.643 ( -3.975 -1.472 1.391) 4.461 5.816 ( -0.939 5.808 -2.086) 6.242 5.935 ( 2.981 1.542 0.832) 3.457 6.003 ( 6.368 2.466 1.363) 6.964 6.052 ( -3.244 0.760 -1.777) 3.776 6.165 ( -4.650 -0.349 -0.447) 4.684 6.190 ( 5.035 2.771 1.109) 5.853 6.348 ( 1.099 -0.806 -1.196) 1.814 6.364 ( 1.625 -4.785 2.415) 5.601 6.484 ( 5.508 -1.673 3.829) 6.914 6.621 ( -2.692 0.213 4.631) 5.361 6.726 ( 3.115 1.918 1.651) 4.014 6.803 ( 5.228 -0.554 1.382) 5.436 6.952 ( -0.055 -1.666 1.645) 2.342 7.032 ( 5.900 -1.344 2.138) 6.418 7.071 ( -2.344 -3.735 4.715) 6.456 7.087 ( 0.729 6.340 1.333) 6.519 7.183 ( 1.198 -0.467 0.317) 1.324 7.356 ( 4.256 -1.859 -7.948) 9.205 7.440 ( -1.583 1.356 -3.262) 3.871 7.508 ( 4.393 -0.500 0.180) 4.425 7.569 ( 4.582 -1.223 -5.140) 6.994 7.619 ( -2.330 -1.505 -1.471) 3.139 7.687 ( 4.250 0.023 -7.543) 8.658 7.752 ( -4.053 -1.217 5.317) 6.796 7.838 ( -3.683 0.554 0.850) 3.821 7.901 ( 0.849 0.112 -4.916) 4.990 8.045 ( 5.953 3.194 1.073) 6.841 8.157 ( 0.443 2.617 -0.163) 2.659 8.233 ( 3.407 -3.805 -1.474) 5.316 8.393 ( -6.721 -8.239 10.461) 14.916 8.688 ( 4.046 3.840 1.850) 5.877 8.725 ( 4.017 5.752 -7.466) 10.245 8.801 ( 0.523 -0.384 -1.501) 1.635 8.895 ( 3.176 0.766 -0.159) 3.271 9.022 ( 0.038 4.043 -0.656) 4.096 9.084 ( 0.072 -2.193 -0.498) 2.250 9.178 ( 1.286 -0.323 1.426) 1.948 9.189 ( 0.797 -3.928 -0.187) 4.012 9.369 ( 0.612 1.090 6.096) 6.223 9.531 ( 0.081 -2.527 0.417) 2.563 9.634 ( -0.279 2.041 -1.616) 2.618 9.701 ( 0.545 0.390 -3.288) 3.355 9.800 ( 0.184 1.063 1.957) 2.235 9.969 ( -2.914 -0.875 1.079) 3.228 11.130 ( -2.887 -0.742 3.416) 4.534 11.168 ( -4.034 -1.931 -1.975) 4.889 11.366 ( -3.228 4.438 -6.388) 8.421 11.644 ( -1.652 -7.186 -6.705) 9.966 11.703 ( 5.933 1.197 1.151) 6.161 11.740 ( 7.946 0.268 2.269) 8.268 11.916 ( 8.621 0.916 6.822) 11.032 11.960 ( 3.973 0.668 2.013) 4.504 12.054 ( 1.004 3.374 -0.371) 3.540 12.165 ( -2.832 -1.628 -1.445) 3.572 12.302 ( 3.192 0.828 2.540) 4.162 12.350 ( 0.902 0.477 -2.353) 2.565 12.637 ( -0.877 2.864 0.350) 3.016 12.837 ( -0.447 -4.013 0.040) 4.038 12.845 ( -1.026 -0.490 0.098) 1.142 12.954 ( -1.707 -1.948 0.416) 2.623 13.070 ( -1.629 1.754 2.061) 3.159 13.094 ( -0.628 0.528 -3.257) 3.359 13.400 ( -6.176 1.344 -2.800) 6.913 13.523 ( -6.919 -3.900 -3.013) 8.495 13.651 ( -0.055 4.079 5.049) 6.491 13.729 ( -3.418 2.704 -1.907) 4.757 13.842 ( 6.723 -0.459 -0.089) 6.739 13.852 ( 7.888 -1.350 1.214) 8.094 14.190 ( -1.888 1.319 -2.041) 3.078 14.374 ( 2.378 -7.879 -1.445) 8.356 14.705 ( 1.157 0.263 1.279) 1.744 14.815 ( -2.608 0.133 1.847) 3.198 15.013 ( 3.086 2.984 -2.579) 5.008 15.065 ( 3.907 -2.079 6.100) 7.537 15.256 ( -6.654 3.584 3.678) 8.405 15.309 ( -8.365 1.281 0.418) 8.473 15.413 ( -7.997 -0.571 -1.430) 8.144 15.485 ( -4.323 -1.009 -5.787) 7.293 15.656 ( -2.513 -1.309 0.170) 2.839 15.762 ( -1.097 -2.414 3.921) 4.733 15.994 ( -6.156 4.535 0.557) 7.666 16.067 ( -4.483 -0.287 -1.259) 4.665 16.318 ( -2.587 -0.182 -10.140) 10.466 16.435 ( -7.069 -0.981 -7.486) 10.343 16.851 ( 1.612 2.857 14.033) 14.412 16.992 ( -1.895 -0.931 8.820) 9.069 17.126 ( 0.589 0.678 1.566) 1.805 17.209 ( -0.167 0.741 -0.696) 1.030 17.506 ( -0.944 -1.567 -1.885) 2.627 17.549 ( -2.378 -1.965 -0.881) 3.208 17.595 ( 1.636 1.217 -4.830) 5.243 17.627 ( -1.517 -0.704 -4.664) 4.954 17.658 ( -1.519 3.319 1.186) 3.838 17.819 ( -3.737 -2.198 -0.906) 4.429 18.054 ( -0.799 0.244 3.812) 3.903 18.185 ( -0.136 -3.384 0.488) 3.422 18.255 ( -2.354 2.774 1.993) 4.148 18.382 ( -1.984 -3.498 3.273) 5.185 18.456 ( -4.103 1.715 -3.316) 5.547 18.575 ( -3.689 -2.325 -2.396) 4.975 18.603 ( -1.904 2.710 -1.593) 3.676 18.685 ( -2.861 -0.893 -3.916) 4.931 19.072 ( 1.498 2.402 0.921) 2.977 19.172 ( -1.280 -1.561 1.232) 2.365 22.010 ( -0.114 2.157 -0.034) 2.160 22.040 ( -0.695 1.178 0.047) 1.369 22.098 ( -0.745 -0.414 0.974) 1.294 22.173 ( -1.988 -2.775 -1.262) 3.639 22.580 ( 0.298 0.607 0.007) 0.676 22.606 ( -0.004 -0.328 -0.085) 0.339 22.668 ( -0.986 1.566 -0.049) 1.851 22.755 ( -2.953 -1.698 -0.351) 3.424 27.227 ( 1.586 -0.787 0.877) 1.975 27.251 ( 1.017 -2.176 0.574) 2.470 27.391 ( 0.917 2.736 0.076) 2.886 27.436 ( 0.419 0.452 -0.349) 0.708 27.626 ( 1.000 0.645 0.326) 1.234 27.644 ( 0.640 -0.055 0.023) 0.643 27.792 ( -0.643 0.009 -0.722) 0.966 27.804 ( -1.137 -0.308 -0.786) 1.417 35.869 ( 3.601 1.271 1.054) 3.962 35.926 ( -1.240 1.777 2.415) 3.245 36.071 ( 5.146 -3.557 -0.141) 6.258 36.199 ( -1.265 -7.528 3.358) 8.339 36.552 ( 1.734 8.000 2.207) 8.478 36.686 ( 5.849 2.082 3.940) 7.353 37.114 ( -5.577 4.871 -7.549) 10.575 37.331 ( -9.589 -3.034 1.696) 10.200 37.958 ( 3.654 4.657 4.475) 7.420 38.163 ( 4.352 1.639 -6.907) 8.327 38.478 ( 9.110 -14.550 1.597) 17.241 38.630 ( 4.922 -16.237 0.801) 16.985 39.373 ( 5.244 19.780 6.392) 21.439 39.571 ( 4.365 17.431 -5.034) 18.661 40.198 ( 3.509 -10.101 7.038) 12.802 40.295 ( 5.664 -7.122 -5.576) 10.672 ======================= Grid point 126 (68/84) ======================= q-point: ( 0.45 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 3.863 1.045 -0.618) 4.050 2.493 ( -2.207 -1.341 0.346) 2.606 2.768 ( 2.966 3.194 6.886) 8.149 2.922 ( -0.865 -2.883 0.890) 3.139 3.270 ( -5.516 -1.252 -4.450) 7.197 3.340 ( -1.120 -2.432 -4.931) 5.611 3.405 ( 2.367 0.414 4.681) 5.262 3.544 ( 3.915 0.281 2.797) 4.819 3.686 ( 7.014 1.320 -3.988) 8.176 3.730 ( 3.549 3.320 -0.698) 4.910 3.825 ( 11.881 8.018 -7.216) 16.048 3.857 ( 0.134 -0.867 10.634) 10.670 3.927 ( -5.505 2.888 0.638) 6.249 4.210 ( 8.348 -5.673 -4.572) 11.080 4.346 ( 0.992 -6.301 0.678) 6.415 4.395 ( -1.648 -2.238 -5.718) 6.358 4.441 ( 2.927 2.534 -0.665) 3.928 4.566 ( 6.799 -3.091 1.776) 7.677 4.686 ( -5.622 -1.348 -3.220) 6.618 4.748 ( -10.818 -3.849 -4.924) 12.494 4.922 ( -0.894 5.625 2.227) 6.116 4.961 ( -0.370 3.430 -3.935) 5.233 5.023 ( 6.490 -1.620 3.759) 7.673 5.116 ( -2.629 -1.282 2.383) 3.773 5.131 ( 2.945 -2.183 1.650) 4.020 5.167 ( -1.763 -4.508 3.785) 6.144 5.306 ( -0.393 -0.689 1.992) 2.144 5.355 ( -2.520 -1.867 -1.872) 3.653 5.379 ( -3.123 1.703 1.571) 3.888 5.487 ( -6.806 -2.500 -0.753) 7.290 5.550 ( -2.983 0.155 1.517) 3.350 5.601 ( 0.927 -0.093 -3.349) 3.476 5.870 ( 5.449 8.020 -5.202) 11.004 5.917 ( -2.145 2.328 -0.018) 3.166 5.982 ( -3.106 0.605 3.878) 5.005 6.068 ( 0.866 6.194 -4.453) 7.678 6.187 ( 4.662 3.642 2.831) 6.558 6.302 ( 4.562 -0.088 3.452) 5.722 6.358 ( 1.925 5.367 1.882) 6.005 6.419 ( -3.580 1.162 -2.559) 4.552 6.492 ( 3.688 -4.313 -3.232) 6.530 6.580 ( -3.157 1.238 1.474) 3.698 6.774 ( 0.365 1.467 5.867) 6.058 6.881 ( 2.290 -2.580 -0.028) 3.450 6.978 ( -1.910 -5.813 10.276) 11.960 7.041 ( -0.739 -2.612 2.619) 3.772 7.142 ( 6.082 -9.981 -3.181) 12.113 7.179 ( 4.590 2.083 3.849) 6.342 7.208 ( 1.547 -0.910 -3.363) 3.812 7.338 ( -4.510 -0.917 -2.922) 5.451 7.349 ( 0.731 0.396 -0.204) 0.856 7.508 ( -5.376 -3.580 -3.952) 7.573 7.598 ( -1.723 0.774 2.864) 3.431 7.609 ( 1.728 -1.902 -0.350) 2.593 7.682 ( -3.800 2.093 4.747) 6.431 7.743 ( -0.847 3.823 -4.645) 6.075 7.779 ( 1.385 -1.846 0.265) 2.323 7.890 ( 0.605 -0.170 -4.872) 4.913 8.205 ( 4.396 1.898 0.127) 4.790 8.234 ( -0.122 1.962 2.414) 3.113 8.276 ( 9.226 1.178 -4.498) 10.332 8.306 ( -4.686 0.190 5.048) 6.891 8.729 ( 1.363 4.837 -4.637) 6.838 8.746 ( 0.090 4.511 -0.778) 4.578 8.793 ( 1.423 0.796 -1.173) 2.009 8.930 ( -0.568 3.070 -3.476) 4.672 9.043 ( 2.028 -1.210 0.584) 2.433 9.099 ( 0.900 -1.183 -0.700) 1.643 9.164 ( 0.375 -5.109 0.689) 5.169 9.221 ( -0.431 -3.650 -0.401) 3.697 9.443 ( 3.315 -0.035 6.742) 7.513 9.527 ( -1.294 -2.355 1.270) 2.972 9.622 ( -0.547 2.254 0.146) 2.324 9.714 ( 2.321 -0.777 -4.467) 5.093 9.814 ( 0.421 1.529 2.993) 3.387 9.921 ( -2.442 0.243 -0.679) 2.546 11.105 ( -1.145 -1.336 -0.636) 1.872 11.119 ( -1.282 -1.622 2.879) 3.544 11.313 ( 0.531 4.146 -2.127) 4.689 11.548 ( -3.803 -5.996 -9.352) 11.742 11.784 ( 1.334 3.173 2.241) 4.107 11.847 ( 2.571 1.868 0.418) 3.206 11.967 ( 0.877 1.710 -1.664) 2.542 12.061 ( -0.982 -2.869 -1.360) 3.323 12.131 ( 3.433 0.919 6.155) 7.107 12.150 ( 4.813 0.359 5.989) 7.692 12.312 ( -2.765 0.710 0.204) 2.862 12.337 ( -1.190 0.635 -2.221) 2.599 12.678 ( 4.164 1.666 1.919) 4.878 12.805 ( -2.379 -0.869 -1.500) 2.943 12.850 ( 1.593 -3.617 -0.573) 3.994 12.904 ( -1.466 -3.015 -2.378) 4.110 13.069 ( -0.758 1.920 3.178) 3.790 13.102 ( 1.754 0.673 -1.303) 2.286 13.300 ( -1.762 0.021 -3.090) 3.557 13.367 ( -6.750 -2.373 -2.947) 7.738 13.630 ( -3.036 3.274 2.901) 5.325 13.682 ( -0.298 2.232 -2.933) 3.698 13.958 ( 4.838 0.067 -0.269) 4.846 13.983 ( 2.967 -0.083 0.253) 2.979 14.240 ( 6.441 -1.300 1.822) 6.819 14.390 ( -1.054 -8.212 -2.190) 8.564 14.698 ( -1.029 0.410 0.731) 1.327 14.751 ( -3.548 -0.447 -0.381) 3.596 15.085 ( 4.039 4.340 1.201) 6.049 15.130 ( -3.827 0.458 6.212) 7.311 15.168 ( -1.070 3.970 0.486) 4.140 15.232 ( 1.437 0.457 4.300) 4.557 15.300 ( -4.093 2.488 2.600) 5.450 15.396 ( -0.657 -1.987 -11.960) 12.142 15.630 ( -0.641 -0.556 3.411) 3.515 15.735 ( -2.768 -1.456 1.430) 3.438 15.928 ( -1.568 1.121 1.242) 2.293 15.989 ( -3.460 -1.123 -1.615) 3.980 16.206 ( -5.366 0.066 -3.719) 6.530 16.273 ( -3.648 -0.324 -8.507) 9.262 16.949 ( 1.665 0.049 9.680) 9.822 16.998 ( -2.147 -0.496 8.829) 9.100 17.145 ( 0.559 2.408 1.107) 2.709 17.209 ( 0.597 2.194 -0.643) 2.363 17.486 ( -0.660 -2.702 -0.413) 2.812 17.532 ( 0.743 -2.898 -0.033) 2.992 17.570 ( -1.104 0.181 -5.208) 5.326 17.598 ( 1.364 -0.444 -5.334) 5.524 17.683 ( 2.619 2.918 0.012) 3.921 17.761 ( -1.329 -0.428 -3.128) 3.425 18.085 ( 0.786 0.108 5.440) 5.497 18.180 ( -0.726 -2.899 1.413) 3.306 18.261 ( 1.890 2.886 -0.090) 3.451 18.332 ( -3.991 1.065 0.434) 4.153 18.404 ( -1.095 -2.640 1.403) 3.184 18.490 ( -2.913 -3.956 -3.161) 5.842 18.577 ( -1.006 2.605 0.178) 2.798 18.622 ( -1.630 0.792 -3.401) 3.854 19.107 ( 2.025 1.141 0.196) 2.332 19.154 ( -0.796 -0.690 -0.752) 1.294 22.012 ( 0.409 1.774 -0.014) 1.821 22.026 ( -0.721 1.404 -0.148) 1.585 22.098 ( 0.053 -0.878 1.212) 1.497 22.139 ( -0.947 -2.118 -1.098) 2.566 22.592 ( 0.746 0.356 0.620) 1.034 22.615 ( 0.623 -0.637 0.155) 0.905 22.652 ( -0.341 1.156 0.041) 1.206 22.700 ( -2.610 -0.828 -0.660) 2.816 27.257 ( 1.045 -1.491 0.699) 1.950 27.269 ( 0.448 -2.415 0.418) 2.491 27.404 ( 0.446 2.817 0.303) 2.868 27.431 ( -0.586 1.369 -0.610) 1.610 27.644 ( 0.807 0.352 0.186) 0.900 27.654 ( 0.422 0.039 -0.234) 0.484 27.777 ( -0.645 -0.123 -0.228) 0.695 27.781 ( -0.928 -0.228 -0.269) 0.993 35.893 ( -2.438 1.124 5.018) 5.691 35.939 ( 2.294 1.195 -1.197) 2.850 36.138 ( -1.439 -5.779 5.364) 8.015 36.202 ( 2.022 -5.544 -0.829) 5.959 36.614 ( 3.523 10.569 3.353) 11.634 36.768 ( 0.772 6.137 -2.830) 6.802 37.048 ( 3.665 -2.181 -4.432) 6.151 37.152 ( -9.096 -3.227 -0.227) 9.654 38.025 ( 0.560 6.061 5.750) 8.373 38.193 ( 2.892 4.322 -7.799) 9.373 38.608 ( 3.114 -17.958 3.674) 18.592 38.700 ( 2.930 -16.477 -2.170) 16.876 39.450 ( -1.947 18.898 9.348) 21.173 39.618 ( 4.600 17.596 -8.155) 19.932 40.220 ( -6.903 -6.962 12.914) 16.214 40.388 ( 9.954 -8.160 -12.554) 17.980 ======================= Grid point 127 (69/84) ======================= q-point: (-0.45 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( -3.824 0.715 -0.507) 3.923 2.488 ( 2.056 -1.355 0.425) 2.499 2.849 ( -5.342 0.826 0.670) 5.447 2.885 ( 2.101 -0.155 4.498) 4.967 3.155 ( -5.289 -1.256 3.242) 6.329 3.307 ( 1.270 -6.719 -6.107) 9.168 3.367 ( -11.412 6.087 12.518) 18.000 3.508 ( -5.915 4.334 -0.246) 7.337 3.713 ( 0.422 -1.699 -0.852) 1.947 3.743 ( -2.267 3.727 -0.738) 4.424 3.825 ( -2.040 2.304 -5.910) 6.664 4.002 ( 8.149 -3.815 0.867) 9.039 4.020 ( 4.400 6.182 2.107) 7.875 4.145 ( -8.337 -2.842 -9.962) 13.297 4.301 ( -4.048 -4.678 0.229) 6.191 4.375 ( 2.687 -4.545 -0.723) 5.329 4.497 ( -9.708 2.059 -6.620) 11.930 4.542 ( -2.279 -4.565 2.202) 5.557 4.633 ( 4.233 0.788 1.070) 4.437 4.691 ( 6.573 -4.408 0.497) 7.930 4.892 ( -0.983 5.093 1.639) 5.440 4.970 ( 1.372 3.543 -1.192) 3.982 5.079 ( -4.973 -0.915 1.140) 5.183 5.111 ( 3.100 0.254 3.432) 4.632 5.148 ( -3.193 -2.915 0.352) 4.338 5.189 ( -2.840 -3.893 0.515) 4.846 5.271 ( 3.817 1.917 1.913) 4.680 5.320 ( 2.744 1.408 -0.559) 3.134 5.435 ( 0.294 0.783 -0.768) 1.135 5.469 ( 2.949 -0.681 3.353) 4.516 5.569 ( 8.473 -1.839 -1.512) 8.801 5.592 ( 0.009 -5.912 -3.116) 6.683 5.789 ( -6.173 6.547 2.667) 9.385 5.937 ( -0.396 7.433 -1.514) 7.596 5.953 ( -2.828 2.817 5.045) 6.433 6.094 ( 3.161 2.597 -4.872) 6.362 6.229 ( -4.446 -0.186 -0.299) 4.460 6.344 ( 1.609 2.468 -0.802) 3.053 6.393 ( 4.479 2.573 -1.557) 5.394 6.399 ( 1.555 2.514 -0.290) 2.970 6.488 ( -3.920 -3.713 -3.644) 6.514 6.597 ( 5.503 -0.346 -0.785) 5.569 6.806 ( -0.922 -0.258 6.823) 6.890 6.897 ( 0.542 -2.033 -2.913) 3.593 6.986 ( -1.702 -6.482 8.564) 10.875 7.049 ( -1.731 -1.837 4.189) 4.890 7.161 ( -2.213 -2.134 -2.911) 4.234 7.203 ( 0.574 -4.156 -6.159) 7.452 7.253 ( 0.641 -7.781 -3.819) 8.691 7.296 ( 1.508 2.682 4.803) 5.704 7.370 ( -5.636 -2.613 -3.830) 7.298 7.439 ( 4.547 -0.512 1.787) 4.912 7.516 ( -6.687 0.161 4.909) 8.297 7.571 ( -4.360 3.550 6.240) 8.400 7.652 ( -0.312 -0.600 -1.431) 1.583 7.776 ( 2.632 -3.010 1.547) 4.287 7.809 ( 2.365 1.751 -3.060) 4.245 7.870 ( -1.507 3.252 -2.697) 4.485 8.144 ( -5.949 5.646 2.938) 8.712 8.187 ( -4.786 4.026 2.385) 6.693 8.263 ( -2.265 1.287 0.698) 2.697 8.453 ( 7.578 -3.418 -4.636) 9.518 8.695 ( -2.150 5.291 -2.563) 6.259 8.767 ( 1.477 0.002 -3.765) 4.044 8.831 ( 1.503 5.853 -0.224) 6.047 8.886 ( 0.270 2.610 -2.361) 3.530 9.033 ( -2.929 -1.451 1.294) 3.515 9.101 ( -0.405 -3.491 -0.997) 3.653 9.176 ( -0.666 -3.106 -0.307) 3.192 9.213 ( 0.646 -3.815 0.391) 3.889 9.479 ( -3.588 0.152 2.006) 4.114 9.533 ( 2.129 -2.445 2.274) 3.960 9.616 ( -0.744 2.618 2.376) 3.613 9.710 ( -0.160 0.023 -5.915) 5.917 9.860 ( 1.790 0.205 3.573) 4.002 9.876 ( -0.960 -0.022 -0.907) 1.321 11.108 ( 1.299 -0.597 1.053) 1.776 11.115 ( 0.274 -0.639 -0.236) 0.734 11.367 ( 3.774 -0.155 4.694) 6.025 11.422 ( -3.684 -2.497 -8.934) 9.982 11.790 ( -1.612 3.937 3.126) 5.279 11.845 ( -1.915 2.884 -2.088) 4.043 11.989 ( -2.055 -1.820 -0.583) 2.806 12.004 ( -0.268 -1.592 0.814) 1.808 12.196 ( -2.699 0.675 2.497) 3.739 12.212 ( -3.003 -0.220 4.826) 5.688 12.260 ( 0.253 2.505 -0.432) 2.555 12.327 ( 2.212 -0.685 -0.859) 2.470 12.736 ( -3.129 0.838 -3.187) 4.544 12.771 ( 3.991 0.342 1.257) 4.198 12.874 ( 0.691 -2.975 -1.393) 3.357 12.903 ( 2.935 -4.525 -3.601) 6.485 13.075 ( 1.114 2.409 2.017) 3.333 13.100 ( -2.085 0.413 -0.010) 2.125 13.299 ( 1.797 -0.816 -3.011) 3.600 13.324 ( 4.454 -2.644 0.212) 5.184 13.610 ( -0.130 4.526 3.447) 5.691 13.689 ( 2.433 1.713 -2.221) 3.713 13.944 ( -5.325 1.081 0.663) 5.474 14.006 ( -1.148 -0.351 -1.365) 1.818 14.290 ( -6.706 -3.801 -2.580) 8.128 14.344 ( 1.751 -6.120 1.968) 6.662 14.682 ( 0.394 2.968 1.037) 3.168 14.790 ( 7.308 -1.792 -2.704) 7.995 15.089 ( -2.686 2.070 6.517) 7.346 15.113 ( -3.360 6.723 -0.298) 7.522 15.194 ( 3.379 0.496 2.594) 4.289 15.278 ( 1.408 -0.208 1.298) 1.926 15.315 ( 2.888 2.349 -4.193) 5.607 15.386 ( 7.503 -2.293 -8.474) 11.549 15.692 ( 4.897 -1.211 4.857) 7.002 15.700 ( -0.263 -1.088 -1.669) 2.010 15.919 ( -3.682 -1.348 1.771) 4.303 15.942 ( 1.625 -1.164 2.946) 3.560 16.113 ( -2.972 3.705 2.161) 5.218 16.244 ( 3.789 -1.105 -4.657) 6.105 16.986 ( -2.137 0.355 7.159) 7.480 17.019 ( -0.019 -1.124 5.020) 5.144 17.159 ( 0.428 1.842 1.178) 2.228 17.223 ( 1.414 1.987 -1.995) 3.151 17.477 ( -0.065 -1.313 0.280) 1.344 17.537 ( 0.619 -0.054 -2.836) 2.903 17.565 ( 2.103 -2.983 -1.368) 3.897 17.599 ( 1.934 -1.798 -6.041) 6.593 17.716 ( 1.025 1.188 -2.293) 2.779 17.753 ( 3.051 1.002 -3.492) 4.744 18.116 ( -0.915 0.802 4.475) 4.637 18.188 ( 1.601 -1.758 0.042) 2.379 18.261 ( -3.796 1.955 0.408) 4.289 18.303 ( 2.381 2.896 1.017) 3.885 18.405 ( -0.626 -3.747 3.296) 5.030 18.463 ( 1.873 -4.360 -1.895) 5.110 18.569 ( -0.101 2.055 0.524) 2.123 18.599 ( 0.826 1.301 -1.737) 2.322 19.136 ( -0.186 0.454 -2.038) 2.096 19.151 ( 2.705 -0.047 -0.558) 2.762 22.014 ( -0.340 1.832 -0.182) 1.872 22.025 ( 0.831 1.572 -0.014) 1.778 22.113 ( 0.803 -1.482 1.291) 2.123 22.125 ( 0.094 -1.666 -1.245) 2.082 22.609 ( 0.106 -0.094 0.043) 0.148 22.612 ( -0.140 -0.100 -0.578) 0.603 22.657 ( -1.343 0.425 -0.354) 1.453 22.675 ( 2.042 -0.240 1.528) 2.562 27.267 ( -0.573 -1.931 -0.058) 2.015 27.271 ( 0.038 -2.132 0.192) 2.141 27.410 ( -0.751 2.270 0.215) 2.400 27.415 ( -0.110 2.143 0.222) 2.158 27.654 ( 0.094 0.147 -0.514) 0.543 27.657 ( 0.292 0.150 -0.625) 0.706 27.768 ( -0.557 -0.173 0.623) 0.854 27.769 ( -0.344 -0.177 0.670) 0.774 35.865 ( -3.144 1.397 4.730) 5.849 35.961 ( -0.393 3.346 0.304) 3.382 36.098 ( -3.874 -6.967 4.371) 9.092 36.228 ( -0.234 -6.972 0.444) 6.990 36.650 ( -2.590 7.843 0.283) 8.264 36.801 ( 8.621 11.505 -4.524) 15.071 36.966 ( -8.424 -3.310 0.932) 9.099 37.204 ( 10.821 -5.058 -3.795) 12.533 38.034 ( -2.875 5.705 5.961) 8.738 38.184 ( 0.590 6.019 -8.062) 10.078 38.626 ( -3.015 -17.916 2.830) 18.387 38.713 ( 0.071 -17.630 -3.791) 18.033 39.398 ( -8.507 17.187 9.568) 21.431 39.649 ( 2.405 17.235 -6.192) 18.471 40.111 ( -10.865 -3.060 10.998) 15.759 40.508 ( 9.373 -9.805 -11.979) 18.097 ======================= Grid point 128 (70/84) ======================= q-point: (-0.36 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( -5.571 2.109 -0.992) 6.039 2.506 ( -2.241 -4.341 2.697) 5.580 2.689 ( -10.578 5.932 4.197) 12.833 2.877 ( -6.153 -1.131 1.196) 6.369 3.077 ( -9.319 0.984 9.019) 13.006 3.185 ( -12.604 1.979 12.526) 17.879 3.348 ( 2.704 -3.846 0.619) 4.742 3.399 ( -3.449 2.120 0.690) 4.107 3.661 ( -3.438 5.898 -9.124) 11.395 3.674 ( -6.270 2.500 -11.996) 13.764 3.725 ( -3.855 -6.131 1.810) 7.465 3.937 ( -7.063 -5.053 -9.245) 12.684 3.954 ( -8.211 -3.634 1.117) 9.049 4.110 ( 2.764 -2.475 -3.787) 5.302 4.274 ( -4.616 3.623 0.090) 5.869 4.361 ( 1.882 0.146 1.190) 2.232 4.402 ( 0.515 -4.108 -0.884) 4.234 4.487 ( -0.704 0.090 0.398) 0.813 4.755 ( 5.302 -0.953 1.069) 5.491 4.820 ( 0.615 -1.440 3.464) 3.802 4.889 ( -3.881 -1.093 1.875) 4.447 4.930 ( -3.807 2.989 -0.866) 4.917 4.992 ( 1.486 5.098 0.054) 5.310 5.082 ( -0.322 -4.399 0.829) 4.488 5.128 ( -6.324 -1.532 2.277) 6.894 5.215 ( 4.839 3.117 2.828) 6.413 5.326 ( -0.098 -0.133 3.378) 3.382 5.394 ( -6.118 1.549 -0.921) 6.378 5.461 ( 9.250 1.684 3.451) 10.015 5.529 ( 9.535 3.093 -0.379) 10.032 5.607 ( 1.990 -4.034 -3.199) 5.519 5.722 ( 5.741 -0.046 -2.323) 6.193 5.766 ( 0.772 2.681 2.068) 3.472 5.897 ( -6.112 4.346 5.214) 9.134 5.928 ( -0.940 4.936 2.908) 5.805 6.096 ( -0.431 -0.607 -5.038) 5.093 6.174 ( -0.256 0.959 -1.585) 1.870 6.261 ( -4.516 -0.711 -1.951) 4.970 6.392 ( -3.249 -9.751 -2.153) 10.501 6.405 ( -0.544 3.278 -4.499) 5.593 6.508 ( 2.846 -2.410 -0.572) 3.772 6.685 ( 2.948 -0.448 0.737) 3.072 6.800 ( -4.511 2.192 0.860) 5.089 6.846 ( -5.841 -1.198 -3.161) 6.749 6.937 ( -4.902 -2.969 5.712) 8.091 7.054 ( -5.278 -2.241 2.121) 6.114 7.075 ( -1.677 -1.738 2.679) 3.607 7.155 ( -1.635 4.091 -2.078) 4.871 7.203 ( -2.769 -2.927 -2.871) 4.947 7.245 ( -2.776 -1.308 -2.599) 4.021 7.353 ( -0.525 -6.255 -0.921) 6.344 7.437 ( -3.317 -2.999 5.494) 7.084 7.505 ( 3.288 4.363 -1.081) 5.569 7.609 ( 1.884 -0.068 1.578) 2.459 7.661 ( 3.723 2.283 -3.413) 5.543 7.757 ( -6.896 -1.438 4.691) 8.463 7.785 ( -5.650 -0.672 5.001) 7.575 7.867 ( 4.690 0.733 -2.263) 5.258 8.137 ( 4.903 7.637 -3.047) 9.573 8.152 ( 0.873 5.650 0.437) 5.734 8.181 ( -4.409 -2.020 -0.675) 4.896 8.552 ( 4.927 -4.979 0.283) 7.010 8.634 ( -4.302 7.043 -1.193) 8.339 8.693 ( -5.652 0.256 0.034) 5.658 8.846 ( 1.593 -1.620 -4.023) 4.620 8.900 ( -0.597 2.033 -1.434) 2.559 9.010 ( 0.249 -0.576 0.495) 0.799 9.059 ( -3.263 -0.540 1.533) 3.645 9.178 ( -1.628 -2.593 -0.135) 3.065 9.207 ( 1.048 -1.322 -0.602) 1.791 9.422 ( -2.697 2.215 1.861) 3.955 9.559 ( 0.098 -2.099 -1.128) 2.385 9.627 ( 0.808 0.772 2.410) 2.656 9.663 ( -0.977 0.938 -4.332) 4.539 9.840 ( -1.065 0.238 -1.487) 1.844 9.942 ( 3.481 -1.132 3.628) 5.153 11.133 ( 1.952 -0.056 0.245) 1.968 11.160 ( 3.069 -1.100 1.828) 3.738 11.341 ( -0.289 0.724 -4.542) 4.608 11.477 ( 3.737 -4.544 6.917) 9.081 11.746 ( -6.103 1.891 -0.303) 6.397 11.756 ( -6.740 2.319 0.183) 7.130 11.911 ( -2.982 1.888 0.704) 3.599 12.003 ( -3.702 -2.052 0.173) 4.236 12.097 ( -4.712 1.936 -1.610) 5.342 12.189 ( -0.178 -1.663 -0.818) 1.862 12.279 ( -0.306 1.999 2.887) 3.525 12.328 ( -2.796 -0.307 0.097) 2.815 12.685 ( 0.619 2.547 -3.623) 4.472 12.820 ( -0.051 -1.295 0.682) 1.464 12.885 ( 2.287 -1.136 -0.910) 2.711 12.945 ( 2.946 -4.115 -2.710) 5.741 13.058 ( -2.272 2.149 1.115) 3.320 13.143 ( 4.989 -0.561 -3.402) 6.064 13.355 ( 4.631 -0.073 1.106) 4.762 13.446 ( 6.673 -4.482 3.301) 8.690 13.671 ( 4.272 4.521 3.180) 6.986 13.735 ( 3.121 2.784 -2.468) 4.856 13.834 ( -5.029 1.250 0.552) 5.211 13.897 ( -8.334 -1.450 -2.336) 8.776 14.195 ( -1.047 0.529 -2.015) 2.332 14.345 ( -1.342 -6.946 0.896) 7.131 14.708 ( 0.425 4.275 0.201) 4.301 14.905 ( 5.470 -2.798 -4.434) 7.577 14.996 ( -5.320 4.425 -1.114) 7.009 15.118 ( -0.731 0.720 4.278) 4.399 15.240 ( 0.517 -1.366 1.484) 2.082 15.337 ( 4.359 -0.840 -0.530) 4.471 15.366 ( 5.495 3.397 -4.731) 8.007 15.535 ( 11.706 -2.891 -4.356) 12.820 15.698 ( 0.902 -1.278 -2.914) 3.307 15.816 ( 4.103 -3.234 0.041) 5.225 15.912 ( 2.106 0.959 8.602) 8.907 16.005 ( 2.778 -0.987 3.583) 4.640 16.132 ( 2.530 7.489 5.255) 9.492 16.347 ( 7.954 -1.801 0.489) 8.170 16.971 ( -2.836 0.875 5.098) 5.900 17.026 ( -0.864 -0.378 1.736) 1.976 17.172 ( 0.650 -0.185 -0.790) 1.039 17.237 ( 1.659 0.870 -2.971) 3.512 17.490 ( 1.390 1.927 -0.673) 2.469 17.550 ( 1.992 -1.949 -1.637) 3.232 17.590 ( 1.088 -2.123 -3.116) 3.925 17.613 ( 3.076 -2.665 -3.430) 5.323 17.728 ( 3.127 1.587 -5.667) 6.664 17.824 ( 5.740 -0.001 -1.414) 5.912 18.097 ( -2.086 -0.121 1.229) 2.424 18.195 ( -1.912 -1.493 0.840) 2.568 18.256 ( 3.971 3.320 0.989) 5.270 18.361 ( 1.810 1.732 3.977) 4.701 18.429 ( 2.506 -2.763 1.544) 4.037 18.510 ( 2.822 -2.747 0.641) 3.990 18.578 ( 1.174 1.497 0.015) 1.902 18.635 ( 2.969 -0.574 0.337) 3.043 19.123 ( 0.277 1.971 -2.984) 3.587 19.202 ( 3.165 -1.147 -1.225) 3.582 22.012 ( 0.277 2.516 -0.232) 2.542 22.041 ( 0.887 1.501 -0.020) 1.743 22.126 ( 0.765 -1.321 -1.489) 2.132 22.143 ( 1.664 -2.173 1.308) 3.034 22.592 ( -0.742 0.212 -1.051) 1.304 22.607 ( -0.571 -0.485 -0.212) 0.779 22.659 ( 1.036 1.511 0.666) 1.949 22.729 ( 2.595 -1.240 1.912) 3.454 27.247 ( -1.150 -1.168 -0.788) 1.819 27.263 ( -0.769 -2.236 -0.384) 2.396 27.389 ( -1.368 2.652 0.267) 2.996 27.417 ( -0.635 1.132 1.263) 1.811 27.645 ( -0.322 0.318 -1.441) 1.511 27.655 ( -0.191 -0.002 -0.880) 0.900 27.765 ( -0.430 -0.062 1.604) 1.662 27.773 ( 0.028 -0.258 1.773) 1.792 35.825 ( -3.863 2.071 3.876) 5.851 35.907 ( -6.066 5.092 4.457) 9.087 36.081 ( 0.791 -8.037 -1.277) 8.176 36.195 ( -4.043 -7.575 3.521) 9.280 36.594 ( -1.973 6.467 -2.153) 7.096 36.840 ( -3.462 -2.894 -4.202) 6.166 36.984 ( 10.564 12.625 0.388) 16.466 37.382 ( 9.524 -5.554 -2.525) 11.310 37.984 ( -5.464 3.988 4.754) 8.268 38.133 ( -1.727 6.894 -7.023) 9.991 38.532 ( -7.289 -14.950 -1.954) 16.747 38.662 ( -3.599 -19.681 -2.689) 20.187 39.261 ( -11.111 15.954 10.260) 21.983 39.634 ( -1.492 14.615 -2.467) 14.896 39.953 ( -11.605 1.926 9.663) 15.224 40.590 ( 6.227 -12.102 -14.325) 19.760 ======================= Grid point 129 (71/84) ======================= q-point: (-0.27 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -9.342 4.290 1.238) 10.354 2.370 ( -16.030 2.453 16.539) 23.163 2.603 ( -2.444 -1.038 3.118) 4.096 2.660 ( -17.715 3.624 5.176) 18.808 2.933 ( -8.003 -3.481 5.947) 10.561 3.031 ( -8.859 -7.569 6.626) 13.404 3.276 ( -9.883 -1.719 -7.615) 12.594 3.399 ( -9.984 1.692 -8.741) 13.378 3.429 ( -0.872 2.789 -4.960) 5.757 3.563 ( -10.014 -1.191 -0.992) 10.133 3.638 ( 0.517 -1.806 -2.023) 2.761 3.772 ( -5.109 -7.336 -7.054) 11.388 3.920 ( 4.275 -3.754 -1.646) 5.922 4.079 ( -3.855 -4.686 -1.309) 6.207 4.192 ( -2.202 11.137 -0.023) 11.352 4.338 ( -4.079 5.365 -6.528) 9.383 4.432 ( -13.150 9.339 3.909) 16.595 4.553 ( -3.111 0.983 0.015) 3.263 4.579 ( 5.118 -1.897 5.989) 8.103 4.774 ( -3.755 -3.858 -1.664) 5.635 4.881 ( -1.075 -3.360 -1.734) 3.931 4.978 ( -3.329 -3.895 4.269) 6.669 5.010 ( -1.645 3.544 6.709) 7.764 5.045 ( 3.897 3.306 0.839) 5.179 5.110 ( 1.218 -5.136 -1.585) 5.511 5.315 ( 4.227 3.777 2.704) 6.280 5.335 ( 0.823 -0.563 2.590) 2.775 5.421 ( 6.145 0.129 5.142) 8.014 5.556 ( -5.203 1.157 0.738) 5.381 5.599 ( 2.436 -1.292 2.460) 3.695 5.710 ( 3.859 0.405 -0.228) 3.886 5.733 ( -0.710 1.024 -4.030) 4.218 5.821 ( 2.573 0.642 5.032) 5.688 5.854 ( -7.685 2.412 1.027) 8.120 5.877 ( 6.558 1.570 -2.047) 7.047 6.040 ( -1.102 2.385 -0.244) 2.638 6.168 ( -3.823 -2.059 0.157) 4.345 6.188 ( -2.213 0.447 0.557) 2.325 6.282 ( -13.217 -0.898 2.976) 13.578 6.403 ( 3.366 -5.293 -0.943) 6.343 6.438 ( -7.739 -8.300 -6.996) 13.332 6.619 ( -5.401 -6.788 -2.998) 9.179 6.665 ( -8.935 7.297 -4.230) 12.287 6.728 ( 0.012 3.113 -0.492) 3.152 6.881 ( -4.769 -0.556 0.391) 4.817 6.989 ( -6.611 0.933 0.499) 6.695 7.067 ( 1.116 0.774 2.035) 2.447 7.106 ( -2.722 2.481 0.341) 3.698 7.162 ( 1.661 4.645 -0.475) 4.955 7.260 ( 3.124 -4.629 -4.834) 7.386 7.317 ( -1.466 -6.483 0.072) 6.647 7.414 ( -3.666 -6.060 6.226) 9.430 7.538 ( 0.888 4.199 -1.237) 4.467 7.615 ( 0.093 4.723 0.383) 4.739 7.670 ( -0.616 -0.954 0.247) 1.162 7.725 ( 2.541 -2.729 0.891) 3.834 7.777 ( 2.237 -3.472 2.065) 4.618 7.925 ( 0.968 -8.694 -0.842) 8.788 8.140 ( 0.553 6.592 1.130) 6.711 8.189 ( 3.554 6.573 -1.866) 7.702 8.274 ( 10.139 6.820 -5.596) 13.439 8.501 ( -8.715 9.637 0.575) 13.006 8.597 ( -1.561 -2.905 0.061) 3.299 8.670 ( 2.972 -2.282 4.456) 5.822 8.839 ( -0.234 -3.997 -6.583) 7.705 8.866 ( -0.770 -3.934 -0.342) 4.024 8.998 ( -3.878 2.211 2.813) 5.276 9.020 ( -1.074 -1.887 2.230) 3.112 9.155 ( 0.779 0.113 -1.531) 1.722 9.232 ( 1.434 -2.639 -0.658) 3.075 9.402 ( -0.640 3.623 0.768) 3.758 9.552 ( 1.468 -0.424 -2.746) 3.142 9.634 ( -0.312 0.818 -1.030) 1.352 9.679 ( 2.671 2.054 2.280) 4.068 9.816 ( -0.468 0.855 -1.590) 1.865 10.025 ( 3.553 -3.001 2.079) 5.094 11.175 ( 0.959 -0.007 1.756) 2.001 11.228 ( 3.041 -1.712 1.571) 3.827 11.371 ( 3.128 2.260 1.840) 4.275 11.517 ( -6.297 -2.323 3.150) 7.414 11.582 ( -10.263 0.585 -1.152) 10.344 11.630 ( -0.572 -4.237 1.923) 4.688 11.873 ( -6.980 0.825 -5.867) 9.155 11.898 ( -2.760 1.886 0.406) 3.368 12.006 ( -2.576 4.304 0.646) 5.057 12.201 ( 0.310 -1.017 -0.562) 1.203 12.265 ( -2.283 0.225 2.314) 3.258 12.277 ( -1.116 -0.533 -1.066) 1.633 12.708 ( 2.550 2.673 -2.615) 4.526 12.802 ( -1.921 0.694 1.713) 2.666 12.931 ( 2.942 -3.444 -3.962) 6.018 12.962 ( -0.958 -1.978 0.752) 2.323 13.042 ( 0.109 2.430 2.607) 3.565 13.180 ( 1.957 -1.583 -4.340) 5.017 13.451 ( 1.281 0.050 3.793) 4.004 13.517 ( -3.227 -2.704 0.692) 4.267 13.743 ( 3.020 3.152 -2.626) 5.094 13.763 ( 2.860 0.599 2.072) 3.582 13.821 ( 4.709 1.039 -1.592) 5.078 13.849 ( 6.530 2.149 -1.547) 7.046 14.221 ( 3.310 -0.563 0.664) 3.423 14.327 ( -0.648 -4.936 0.541) 5.007 14.672 ( -3.886 4.524 -1.394) 6.125 14.880 ( -2.826 6.728 -3.619) 8.146 14.987 ( 3.214 -5.302 -1.690) 6.426 15.070 ( -5.082 -5.682 -2.664) 8.076 15.261 ( -1.025 2.111 8.869) 9.174 15.408 ( 3.633 3.142 -1.561) 5.051 15.455 ( 4.946 0.110 -2.430) 5.512 15.655 ( -1.454 -4.351 2.431) 5.192 15.770 ( 11.062 -2.697 -4.968) 12.423 15.841 ( 1.282 -3.334 -5.619) 6.658 16.060 ( 5.961 0.997 10.788) 12.366 16.091 ( 4.751 0.577 5.622) 7.383 16.223 ( 4.693 9.897 1.818) 11.103 16.506 ( 7.330 -3.168 0.977) 8.046 16.937 ( -2.918 0.460 2.885) 4.129 17.026 ( 1.359 1.003 -1.397) 2.192 17.165 ( -0.375 -0.928 -3.567) 3.705 17.262 ( 2.624 0.971 -2.593) 3.815 17.520 ( 2.188 2.630 0.537) 3.463 17.576 ( 0.631 -4.373 -1.234) 4.587 17.596 ( 2.209 -1.698 -3.991) 4.867 17.654 ( 2.613 -2.884 -3.270) 5.083 17.780 ( 4.478 2.824 -3.726) 6.474 17.929 ( 5.168 -0.239 -0.238) 5.179 18.077 ( -0.196 0.510 1.705) 1.790 18.210 ( 3.943 -3.452 -0.006) 5.240 18.355 ( 4.668 3.582 3.884) 7.050 18.404 ( 2.898 0.829 0.952) 3.161 18.510 ( 3.674 -0.166 2.875) 4.668 18.572 ( 3.284 0.242 2.068) 3.889 18.621 ( 3.827 -0.372 -0.044) 3.845 18.693 ( 2.926 -3.854 0.157) 4.842 19.119 ( 1.243 3.707 -3.628) 5.334 19.250 ( 2.663 -1.813 -1.912) 3.747 22.022 ( 0.934 3.340 -0.425) 3.494 22.054 ( 0.540 1.566 -0.229) 1.672 22.135 ( 1.068 -0.922 -1.419) 2.001 22.188 ( 2.382 -2.831 1.581) 4.023 22.576 ( -0.378 0.600 -0.354) 0.793 22.602 ( 0.049 -0.334 0.477) 0.585 22.684 ( 1.159 1.741 0.360) 2.122 22.784 ( 2.060 -1.962 1.981) 3.467 27.220 ( -1.084 -0.427 -1.303) 1.748 27.245 ( -0.740 -1.749 -0.681) 2.017 27.360 ( -2.109 2.350 0.593) 3.213 27.400 ( -1.947 0.272 1.388) 2.407 27.628 ( -0.596 0.381 -1.816) 1.948 27.641 ( -0.738 -0.108 -1.030) 1.272 27.769 ( -0.289 0.166 2.482) 2.504 27.787 ( 0.186 -0.364 2.639) 2.670 35.750 ( -5.640 3.416 2.090) 6.917 35.832 ( -4.467 3.473 5.368) 7.799 36.064 ( -4.160 -7.217 2.191) 8.613 36.153 ( -0.488 -7.926 0.655) 7.968 36.567 ( 0.839 6.540 -2.790) 7.159 36.790 ( 0.613 -1.932 -4.739) 5.154 37.175 ( 9.164 11.638 0.189) 14.814 37.513 ( 5.353 -4.516 -0.844) 7.054 37.886 ( -6.755 1.327 1.635) 7.076 38.056 ( -3.363 6.570 -3.445) 8.145 38.339 ( -10.725 -10.554 -7.047) 16.615 38.562 ( -5.732 -20.998 -1.387) 21.810 39.124 ( -9.055 15.117 11.154) 20.855 39.582 ( -2.412 14.085 -2.496) 14.506 39.796 ( -10.656 2.252 11.567) 15.888 40.555 ( -1.360 -14.438 -20.902) 25.440 ======================= Grid point 130 (72/84) ======================= q-point: (-0.18 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -18.143 5.964 21.057) 28.428 2.177 ( -9.500 3.954 6.243) 12.036 2.303 ( -25.543 7.175 19.989) 33.219 2.610 ( 1.227 -6.902 -2.989) 7.621 2.845 ( -6.155 -16.644 1.587) 17.816 2.922 ( -4.792 -9.839 -4.422) 11.803 2.963 ( -18.959 -1.580 0.015) 19.025 3.140 ( -3.435 4.828 -16.941) 17.947 3.335 ( -11.393 -8.693 -7.709) 16.273 3.409 ( -4.542 1.566 1.540) 5.045 3.558 ( -3.993 -8.666 -13.862) 16.829 3.689 ( -10.209 0.096 4.939) 11.341 3.936 ( -15.034 8.470 12.334) 21.211 4.047 ( -0.626 5.812 3.009) 6.574 4.052 ( 6.247 3.253 -1.559) 7.214 4.214 ( -10.857 7.607 2.212) 13.441 4.271 ( 4.119 15.348 -8.747) 18.139 4.523 ( -2.117 1.651 0.059) 2.685 4.693 ( 6.230 -1.807 -1.399) 6.636 4.806 ( -4.227 -6.028 -1.020) 7.433 4.869 ( 4.161 -1.794 2.462) 5.157 4.879 ( -5.989 -4.991 3.588) 8.582 5.025 ( -1.011 0.342 3.285) 3.454 5.045 ( -2.186 7.874 -8.880) 12.067 5.142 ( 2.245 1.895 0.541) 2.988 5.297 ( -2.278 1.315 -3.812) 4.632 5.416 ( -2.153 2.849 5.944) 6.934 5.515 ( -2.898 -1.551 3.721) 4.965 5.546 ( 0.959 -0.107 3.071) 3.220 5.581 ( 4.240 0.781 3.664) 5.658 5.646 ( -3.952 0.587 -2.302) 4.611 5.707 ( -2.265 -7.754 1.483) 8.213 5.739 ( -7.771 -4.060 3.289) 9.364 5.866 ( -6.930 -0.804 -1.696) 7.179 5.990 ( -2.324 -5.369 5.075) 7.745 6.042 ( 1.368 0.630 1.378) 2.041 6.067 ( 3.843 -3.208 1.076) 5.120 6.124 ( -1.851 -0.561 -2.237) 2.957 6.167 ( -1.224 2.629 -0.534) 2.948 6.302 ( 0.999 -2.864 0.243) 3.043 6.394 ( -1.549 7.698 2.242) 8.166 6.539 ( -1.289 -6.223 0.535) 6.378 6.646 ( 3.752 -6.752 -3.679) 8.556 6.697 ( -0.646 2.777 -5.658) 6.336 6.801 ( -2.465 6.051 -1.692) 6.749 6.897 ( -4.390 -1.661 5.269) 7.056 7.003 ( -7.757 1.014 4.578) 9.064 7.099 ( 1.028 2.366 -0.006) 2.579 7.202 ( 1.917 7.998 -2.015) 8.468 7.266 ( -0.032 -9.220 -1.419) 9.329 7.333 ( 2.000 -6.536 -1.277) 6.954 7.397 ( -0.692 -4.166 3.272) 5.342 7.554 ( 2.407 -1.161 -2.557) 3.698 7.623 ( -0.470 0.453 0.266) 0.705 7.688 ( 2.974 0.843 -4.164) 5.186 7.782 ( 2.020 -1.928 1.968) 3.416 7.835 ( 3.535 -1.089 -3.756) 5.271 7.894 ( -3.570 -0.708 1.437) 3.913 8.194 ( -1.538 8.544 6.533) 10.865 8.228 ( 4.403 1.096 -3.315) 5.619 8.357 ( -2.124 11.738 2.185) 12.127 8.438 ( 6.617 3.689 -6.996) 10.312 8.579 ( 0.589 -5.887 -2.050) 6.261 8.725 ( -2.021 -2.811 5.613) 6.594 8.810 ( 2.762 -4.812 -5.120) 7.550 8.874 ( 1.708 -4.399 -0.939) 4.811 8.953 ( -2.654 2.253 3.697) 5.078 9.003 ( -1.623 -1.928 2.771) 3.745 9.176 ( 1.395 2.070 -1.537) 2.931 9.248 ( 0.818 0.696 -0.972) 1.448 9.404 ( 0.941 4.381 0.154) 4.483 9.596 ( 1.600 -1.360 0.685) 2.209 9.630 ( 2.031 2.681 -1.141) 3.552 9.745 ( 2.809 0.486 1.815) 3.380 9.817 ( 1.958 1.468 -2.843) 3.751 10.086 ( 2.166 -4.258 0.243) 4.784 11.098 ( -11.075 1.494 0.203) 11.177 11.224 ( -8.375 -3.485 -1.364) 9.173 11.343 ( -1.516 1.825 2.642) 3.551 11.455 ( -0.430 -2.550 3.391) 4.265 11.556 ( 6.641 0.855 4.436) 8.032 11.658 ( -1.085 -2.463 0.990) 2.867 11.708 ( -5.706 1.693 -5.803) 8.312 11.814 ( -1.257 -3.164 -1.873) 3.886 12.044 ( 2.431 6.939 4.659) 8.704 12.181 ( -0.838 0.426 -2.898) 3.047 12.220 ( -2.487 -0.619 -1.393) 2.917 12.269 ( -0.959 -1.606 -0.013) 1.870 12.723 ( 0.253 1.926 -2.210) 2.942 12.775 ( -1.816 2.882 1.984) 3.942 12.880 ( -4.502 -2.748 -3.488) 6.323 12.989 ( 1.926 -4.433 0.179) 4.837 13.071 ( 0.757 4.190 1.858) 4.645 13.202 ( 2.464 -0.507 -0.699) 2.611 13.404 ( -5.023 -0.577 1.317) 5.225 13.458 ( -0.772 -1.084 1.986) 2.391 13.785 ( 1.636 2.343 0.179) 2.863 13.883 ( 9.167 1.309 -1.376) 9.361 13.958 ( 7.306 1.581 0.467) 7.489 13.990 ( 8.717 -1.669 -5.229) 10.301 14.265 ( 0.280 -1.326 -1.082) 1.734 14.357 ( 3.030 -2.544 3.562) 5.323 14.577 ( -4.168 3.008 -2.044) 5.531 14.822 ( -3.003 8.627 -1.779) 9.307 14.909 ( -7.820 -6.632 -4.442) 11.175 15.066 ( 3.630 -6.317 1.350) 7.410 15.282 ( -2.747 4.335 12.092) 13.136 15.395 ( -2.809 5.188 -5.609) 8.140 15.515 ( 2.972 0.178 1.186) 3.205 15.698 ( 4.955 -4.101 1.955) 6.722 15.765 ( -3.595 -4.597 -9.059) 10.776 15.909 ( 4.077 -4.871 -4.733) 7.922 16.159 ( -0.859 5.324 7.435) 9.185 16.231 ( 3.406 1.029 7.767) 8.543 16.363 ( 10.334 5.595 1.343) 11.828 16.610 ( 5.775 -4.248 -2.151) 7.485 16.901 ( -1.525 -1.145 -0.051) 1.908 17.054 ( 1.893 -2.018 -6.481) 7.047 17.131 ( -0.157 3.160 -1.742) 3.611 17.307 ( 3.437 0.659 -2.020) 4.040 17.549 ( -1.051 -2.051 -1.028) 2.523 17.599 ( 0.406 -1.553 -5.003) 5.254 17.604 ( 3.316 -2.051 3.086) 4.972 17.676 ( 1.873 -1.599 -2.205) 3.306 17.810 ( -0.477 3.906 -0.620) 3.984 17.976 ( -0.471 -1.922 0.415) 2.022 18.140 ( 5.491 3.642 3.104) 7.283 18.343 ( 9.344 -4.056 1.355) 10.276 18.427 ( 3.028 4.415 0.658) 5.394 18.518 ( 3.213 0.019 6.215) 6.997 18.572 ( 2.606 0.042 2.433) 3.565 18.665 ( 7.730 1.945 -1.163) 8.056 18.710 ( 4.839 -0.807 -1.509) 5.133 18.761 ( 5.192 -6.225 1.185) 8.193 19.135 ( 2.642 4.751 -4.053) 6.781 19.275 ( 1.011 -1.662 -2.104) 2.866 22.037 ( 0.932 3.734 -1.260) 4.050 22.057 ( -0.016 1.634 -0.481) 1.703 22.162 ( 2.664 -0.320 0.325) 2.703 22.244 ( 2.557 -3.115 1.900) 4.456 22.578 ( 0.565 0.948 0.867) 1.404 22.614 ( 0.676 -0.341 1.221) 1.437 22.702 ( 0.635 1.947 -0.151) 2.054 22.818 ( 0.382 -2.356 1.813) 2.997 27.199 ( -0.263 0.237 -1.329) 1.375 27.233 ( -0.189 -1.215 -0.569) 1.355 27.316 ( -2.879 1.833 0.582) 3.462 27.358 ( -3.225 -0.230 1.003) 3.385 27.604 ( -0.934 0.333 -1.651) 1.926 27.618 ( -1.165 -0.193 -0.945) 1.512 27.783 ( 0.298 0.328 2.926) 2.959 27.805 ( 0.214 -0.296 3.033) 3.055 35.668 ( -3.334 3.036 0.535) 4.541 35.779 ( -4.708 1.141 4.996) 6.959 35.984 ( -5.390 -3.119 5.769) 8.489 36.154 ( 0.211 -8.466 -2.784) 8.915 36.615 ( 6.151 5.409 -1.963) 8.423 36.811 ( 4.090 -1.708 -4.396) 6.242 37.308 ( 4.945 10.136 0.559) 11.292 37.578 ( 2.402 -0.753 -0.505) 2.568 37.765 ( -5.991 -2.398 -0.157) 6.455 37.973 ( -5.004 4.456 -0.044) 6.701 38.085 ( -11.200 -6.137 -8.555) 15.372 38.447 ( -6.106 -20.266 -0.380) 21.169 39.024 ( -8.251 15.395 4.538) 18.046 39.528 ( -0.004 14.856 -5.041) 15.688 39.717 ( -5.677 -5.714 15.731) 17.673 40.267 ( -16.770 -12.482 -28.170) 35.080 ======================= Grid point 131 (73/84) ======================= q-point: (-0.09 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -17.931 4.459 32.039) 36.985 1.930 ( -26.059 7.953 26.607) 38.082 2.121 ( 0.352 4.868 2.576) 5.519 2.501 ( -14.881 -3.372 -6.827) 16.716 2.659 ( 4.614 -8.199 -10.801) 14.324 2.764 ( -5.582 -23.501 -6.602) 25.041 2.886 ( -2.359 -12.703 0.664) 12.937 2.992 ( -11.618 7.397 -13.550) 19.320 3.095 ( -0.749 -7.843 -2.208) 8.182 3.314 ( -6.593 -6.220 1.219) 9.145 3.455 ( -2.436 0.861 -1.670) 3.076 3.532 ( -2.907 0.184 0.887) 3.045 3.771 ( -11.876 0.395 12.147) 16.992 4.047 ( -1.791 10.094 0.887) 10.290 4.094 ( 2.505 7.590 -1.737) 8.179 4.190 ( 4.576 4.254 0.959) 6.321 4.363 ( 9.333 18.808 -10.859) 23.638 4.471 ( -7.401 11.074 3.069) 13.668 4.626 ( -5.949 8.423 -11.710) 15.604 4.726 ( -8.074 -0.241 -0.280) 8.083 4.789 ( -1.059 -10.963 7.832) 13.514 4.894 ( -2.916 -0.200 2.996) 4.186 4.941 ( -2.836 6.231 -8.190) 10.674 5.047 ( 3.800 -5.097 -1.497) 6.532 5.206 ( 0.116 2.177 -2.386) 3.232 5.237 ( -0.005 -2.456 0.104) 2.458 5.364 ( -14.126 -6.589 0.506) 15.595 5.398 ( -5.229 1.126 0.071) 5.349 5.511 ( -3.058 -1.455 1.384) 3.658 5.545 ( 0.983 1.368 1.995) 2.611 5.603 ( -2.418 0.362 2.352) 3.393 5.700 ( 0.807 -3.152 -1.522) 3.592 5.759 ( 5.327 -3.631 1.884) 6.716 5.815 ( -3.123 -13.601 -0.395) 13.960 5.908 ( 0.954 1.697 4.167) 4.599 6.090 ( 4.063 -0.300 2.550) 4.806 6.131 ( 4.223 0.844 -3.090) 5.300 6.158 ( 0.930 -2.924 7.077) 7.714 6.222 ( -0.660 0.838 1.590) 1.915 6.385 ( 3.830 -4.118 8.798) 10.442 6.474 ( 6.859 5.003 2.328) 8.803 6.568 ( 2.796 4.593 -4.789) 7.200 6.655 ( 1.278 1.502 -1.249) 2.335 6.687 ( -0.505 -6.264 3.519) 7.202 6.788 ( 0.929 6.748 -1.592) 6.995 6.842 ( -0.316 -6.272 4.433) 7.687 6.948 ( -1.678 0.496 1.441) 2.267 7.102 ( 0.162 -0.643 -1.416) 1.564 7.199 ( -3.554 -8.460 -0.411) 9.185 7.268 ( 3.447 2.906 -0.252) 4.516 7.335 ( -1.182 -5.535 -1.697) 5.908 7.423 ( 1.535 1.258 0.698) 2.103 7.570 ( -0.544 -4.635 -1.677) 4.959 7.606 ( -0.554 -3.045 -2.011) 3.691 7.711 ( 1.687 3.656 -4.700) 6.189 7.797 ( -0.743 -1.261 0.327) 1.500 7.828 ( -4.303 3.462 0.552) 5.551 7.857 ( 1.957 -2.463 -4.790) 5.731 8.150 ( -2.213 8.187 5.163) 9.929 8.341 ( 5.576 0.605 1.387) 5.778 8.353 ( -0.639 7.270 0.927) 7.357 8.458 ( -1.977 -1.922 -4.122) 4.959 8.623 ( 5.098 -4.699 -2.587) 7.400 8.699 ( -0.299 -4.718 0.046) 4.728 8.855 ( 1.590 -2.029 0.821) 2.705 8.900 ( -0.010 -2.622 -0.215) 2.630 8.950 ( 0.988 1.593 4.267) 4.661 8.996 ( -0.896 -0.247 2.594) 2.756 9.180 ( 0.393 5.677 -0.886) 5.759 9.263 ( 1.334 4.530 -1.951) 5.109 9.436 ( 2.036 3.791 0.669) 4.355 9.560 ( -4.032 0.031 0.464) 4.059 9.715 ( 4.812 2.368 -0.445) 5.382 9.787 ( 1.104 -2.258 -0.355) 2.538 9.863 ( 4.443 1.323 -1.098) 4.764 10.098 ( -0.756 -4.585 -1.666) 4.936 10.874 ( -10.160 1.554 -0.644) 10.298 10.987 ( -12.683 -3.375 -3.312) 13.536 11.348 ( -1.466 1.880 2.594) 3.523 11.457 ( -3.226 -2.698 2.206) 4.749 11.620 ( 1.653 2.501 -0.708) 3.081 11.650 ( 2.488 1.014 0.319) 2.706 11.760 ( 8.518 -1.013 5.332) 10.100 11.855 ( 3.538 -5.330 1.239) 6.516 12.088 ( -0.299 4.819 2.289) 5.343 12.142 ( -1.179 -0.180 -3.283) 3.493 12.182 ( -1.153 0.439 -2.136) 2.467 12.216 ( -3.372 -0.429 -2.328) 4.119 12.706 ( -0.739 1.101 -1.321) 1.872 12.750 ( -2.375 4.751 -1.058) 5.416 12.796 ( -1.443 -1.889 0.546) 2.439 12.956 ( -4.198 0.843 -2.047) 4.746 13.118 ( 4.404 -1.696 -1.028) 4.830 13.236 ( -3.140 -2.632 4.225) 5.885 13.387 ( 5.001 -1.328 1.707) 5.449 13.506 ( 2.960 -4.434 4.074) 6.710 13.838 ( 3.850 4.536 1.536) 6.145 14.038 ( 7.339 0.374 -0.659) 7.378 14.047 ( 2.590 -2.309 -3.913) 5.230 14.084 ( 4.420 1.357 -1.914) 5.004 14.223 ( -2.195 3.009 -6.891) 7.833 14.413 ( -1.837 -6.206 3.363) 7.294 14.532 ( 0.128 0.750 -1.440) 1.629 14.649 ( -9.612 -0.615 -6.299) 11.509 14.849 ( -0.889 3.299 4.786) 5.880 15.043 ( -7.201 -0.947 2.596) 7.713 15.249 ( -5.848 5.842 5.212) 9.772 15.425 ( 8.777 4.359 -10.386) 14.280 15.548 ( 0.550 3.696 -3.803) 5.332 15.627 ( -3.112 -7.440 1.763) 8.255 15.834 ( 6.936 -3.513 1.266) 7.878 15.921 ( 0.590 -3.587 -1.032) 3.779 16.124 ( -4.385 4.718 0.909) 6.505 16.232 ( -4.694 1.574 -1.003) 5.052 16.565 ( 8.020 3.001 6.218) 10.582 16.766 ( 10.000 -4.426 3.298) 11.422 16.902 ( 2.073 -3.803 0.079) 4.332 16.985 ( -3.575 -6.409 -7.271) 10.331 17.164 ( 3.000 5.184 -3.258) 6.818 17.345 ( 0.635 -0.959 -3.481) 3.666 17.481 ( -4.914 -0.780 1.169) 5.111 17.570 ( -0.146 -1.364 -3.523) 3.780 17.701 ( 3.932 0.791 1.348) 4.231 17.706 ( 2.239 1.084 -0.400) 2.520 17.780 ( -1.092 2.449 0.261) 2.694 17.943 ( -2.534 -2.551 -0.308) 3.609 18.255 ( 3.091 5.356 5.872) 8.527 18.471 ( 2.881 5.508 -4.417) 7.626 18.499 ( -0.472 -3.403 9.225) 9.844 18.571 ( 4.421 -0.044 3.374) 5.561 18.624 ( 3.396 -0.181 -1.619) 3.766 18.764 ( 2.103 -2.499 -1.380) 3.545 18.861 ( 10.263 -0.343 -0.178) 10.270 18.887 ( 7.059 -2.621 0.914) 7.586 19.161 ( 1.727 4.156 -3.507) 5.706 19.259 ( -1.866 -0.724 -1.593) 2.558 22.040 ( 0.199 2.956 -1.249) 3.215 22.051 ( -0.373 1.624 -0.508) 1.742 22.251 ( 6.258 -0.809 0.570) 6.336 22.294 ( 1.342 -2.686 2.151) 3.693 22.612 ( 2.455 1.034 1.846) 3.241 22.639 ( 1.190 -0.102 1.897) 2.242 22.705 ( -0.038 1.846 -0.578) 1.934 22.810 ( -2.138 -2.116 1.012) 3.174 27.201 ( 1.188 0.602 -0.925) 1.621 27.233 ( 0.357 -0.614 -0.231) 0.747 27.265 ( -2.611 1.221 0.469) 2.920 27.297 ( -3.484 -0.259 0.469) 3.525 27.581 ( -0.673 0.230 -1.000) 1.227 27.591 ( -1.123 -0.143 -0.708) 1.335 27.808 ( 0.697 0.384 2.532) 2.654 27.824 ( 0.116 0.052 2.591) 2.594 35.644 ( 0.843 0.950 -0.638) 1.422 35.704 ( -5.560 -0.341 4.049) 6.886 35.949 ( -1.537 0.407 5.684) 5.902 36.121 ( -1.813 -5.856 -3.303) 6.964 36.760 ( 7.495 0.870 2.722) 8.021 36.887 ( 5.643 -2.898 -3.312) 7.156 37.381 ( 2.881 7.471 2.218) 8.309 37.608 ( 2.028 4.521 -4.006) 6.372 37.706 ( 0.651 -4.117 1.209) 4.339 37.855 ( -2.788 -1.812 -6.470) 7.274 37.907 ( -5.715 -0.976 0.189) 5.800 38.318 ( -9.883 -19.333 1.642) 21.774 38.812 ( -13.434 14.363 -5.245) 20.354 39.324 ( -30.607 -2.084 -20.714) 37.016 39.740 ( 8.112 2.030 2.343) 8.684 39.866 ( -6.932 0.489 1.218) 7.055 ======================= Grid point 132 (74/84) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -5.293 -13.498 23.001) 27.189 1.929 ( -5.293 13.498 23.001) 27.189 2.167 ( 2.184 -15.432 8.736) 17.867 2.167 ( 2.184 15.432 8.736) 17.867 2.477 ( 7.468 -9.957 -17.916) 21.815 2.477 ( 7.468 9.957 -17.916) 21.815 2.778 ( -6.705 -8.580 1.160) 10.951 2.778 ( -6.705 8.580 1.160) 10.951 3.038 ( 4.881 -12.054 -18.216) 22.381 3.038 ( 4.881 12.054 -18.216) 22.381 3.484 ( 2.194 -0.350 -2.879) 3.637 3.484 ( 2.194 0.350 -2.879) 3.637 4.068 ( 0.125 -12.903 17.322) 21.600 4.068 ( 0.125 12.903 17.322) 21.600 4.219 ( -1.401 -4.091 -0.218) 4.330 4.219 ( -1.401 4.091 -0.218) 4.330 4.536 ( -3.637 -4.838 5.391) 8.105 4.536 ( -3.637 4.838 5.391) 8.105 4.742 ( 0.871 -7.070 -7.295) 10.196 4.742 ( 0.871 7.070 -7.295) 10.196 4.777 ( -3.019 -1.590 1.246) 3.632 4.777 ( -3.019 1.590 1.246) 3.632 4.908 ( -6.790 -0.551 3.607) 7.708 4.908 ( -6.790 0.551 3.607) 7.708 5.001 ( 1.946 -1.249 -3.330) 4.054 5.001 ( 1.946 1.249 -3.330) 4.054 5.321 ( -8.362 -0.965 3.798) 9.235 5.321 ( -8.362 0.965 3.798) 9.235 5.520 ( 5.938 -5.554 1.065) 8.200 5.520 ( 5.938 5.554 1.065) 8.200 5.642 ( 1.750 -1.087 1.147) 2.358 5.642 ( 1.750 1.087 1.147) 2.358 5.716 ( 1.420 -3.895 -2.853) 5.033 5.716 ( 1.420 3.895 -2.853) 5.033 6.042 ( -2.789 -1.321 2.891) 4.229 6.042 ( -2.789 1.321 2.891) 4.229 6.192 ( 5.923 -3.426 -3.349) 7.618 6.192 ( 5.923 3.426 -3.349) 7.618 6.440 ( 4.842 -3.645 6.232) 8.694 6.440 ( 4.842 3.645 6.232) 8.694 6.581 ( -1.354 -1.325 -0.836) 2.071 6.581 ( -1.354 1.325 -0.836) 2.071 6.739 ( -3.747 -3.773 5.129) 7.388 6.739 ( -3.747 3.773 5.129) 7.388 6.846 ( 6.281 -6.394 -4.136) 9.871 6.846 ( 6.281 6.394 -4.136) 9.871 7.007 ( 4.937 -8.542 -1.645) 10.003 7.007 ( 4.937 8.542 -1.645) 10.003 7.061 ( -3.504 -8.897 -5.405) 10.984 7.061 ( -3.504 8.897 -5.405) 10.984 7.403 ( -1.640 -4.049 -0.211) 4.373 7.403 ( -1.640 4.049 -0.211) 4.373 7.526 ( 2.227 -0.952 -1.949) 3.109 7.526 ( 2.227 0.952 -1.949) 3.109 7.721 ( -5.936 -2.287 1.268) 6.487 7.721 ( -5.936 2.287 1.268) 6.487 7.838 ( 3.687 -2.941 -4.802) 6.730 7.838 ( 3.687 2.941 -4.802) 6.730 8.246 ( -2.014 -3.752 -0.908) 4.355 8.246 ( -2.014 3.752 -0.908) 4.355 8.484 ( -3.236 -1.076 6.973) 7.762 8.484 ( -3.236 1.076 6.973) 7.762 8.632 ( 2.288 -6.663 -2.455) 7.460 8.632 ( 2.288 6.663 -2.455) 7.460 8.842 ( -0.525 -2.579 1.786) 3.181 8.842 ( -0.525 2.579 1.786) 3.181 9.023 ( 1.150 -0.270 0.858) 1.460 9.023 ( 1.150 0.270 0.858) 1.460 9.275 ( -1.396 -1.757 0.934) 2.430 9.275 ( -1.396 1.757 0.934) 2.430 9.530 ( 0.079 -1.262 0.446) 1.340 9.530 ( 0.079 1.262 0.446) 1.340 9.801 ( 2.008 -1.494 -1.834) 3.102 9.801 ( 2.008 1.494 -1.834) 3.102 9.944 ( -1.630 -2.498 -0.523) 3.028 9.944 ( -1.630 2.498 -0.523) 3.028 10.790 ( -0.991 -0.422 -0.081) 1.080 10.790 ( -0.991 0.422 -0.081) 1.080 11.383 ( -0.525 -0.956 2.066) 2.336 11.383 ( -0.525 0.956 2.066) 2.336 11.689 ( 0.400 -0.370 -0.009) 0.545 11.689 ( 0.400 0.370 -0.009) 0.545 11.892 ( 3.764 -0.879 2.630) 4.675 11.892 ( 3.764 0.879 2.630) 4.675 12.097 ( -3.171 -1.259 -0.906) 3.530 12.097 ( -3.171 1.259 -0.906) 3.530 12.151 ( 0.416 -1.924 -2.529) 3.205 12.151 ( 0.416 1.924 -2.529) 3.205 12.731 ( -1.428 -0.864 0.402) 1.717 12.731 ( -1.428 0.864 0.402) 1.717 12.863 ( 1.514 -3.607 -2.112) 4.445 12.863 ( 1.514 3.607 -2.112) 4.445 13.151 ( -0.230 -2.097 1.706) 2.713 13.151 ( -0.230 2.097 1.706) 2.713 13.452 ( 1.418 -2.164 0.770) 2.699 13.452 ( 1.418 2.164 0.770) 2.699 13.991 ( -1.763 -3.493 3.826) 5.472 13.991 ( -1.763 3.493 3.826) 5.472 14.155 ( 0.849 -2.181 -0.629) 2.424 14.155 ( 0.849 2.181 -0.629) 2.424 14.206 ( -2.904 -3.309 -4.534) 6.320 14.206 ( -2.904 3.309 -4.534) 6.320 14.517 ( 0.039 -0.396 -0.879) 0.965 14.517 ( 0.039 0.396 -0.879) 0.965 14.950 ( 0.956 -1.786 1.655) 2.616 14.950 ( 0.956 1.786 1.655) 2.616 15.326 ( -3.774 -7.914 -1.210) 8.851 15.326 ( -3.774 7.914 -1.210) 8.851 15.621 ( 3.630 -2.462 -6.419) 7.775 15.621 ( 3.630 2.462 -6.419) 7.775 15.974 ( 6.805 -1.731 2.958) 7.619 15.974 ( 6.805 1.731 2.958) 7.619 16.090 ( -4.733 -2.434 -2.054) 5.705 16.090 ( -4.733 2.434 -2.054) 5.705 16.721 ( -0.675 -3.985 4.006) 5.690 16.721 ( -0.675 3.985 4.006) 5.690 16.940 ( 3.232 -0.800 -2.628) 4.241 16.940 ( 3.232 0.800 -2.628) 4.241 17.186 ( -4.149 -1.330 -2.345) 4.948 17.186 ( -4.149 1.330 -2.345) 4.948 17.537 ( 1.151 -1.878 -1.047) 2.439 17.537 ( 1.151 1.878 -1.047) 2.439 17.783 ( 1.157 -1.151 1.670) 2.335 17.783 ( 1.157 1.151 1.670) 2.335 17.823 ( 1.162 -2.028 -2.929) 3.747 17.823 ( 1.162 2.028 -2.929) 3.747 18.418 ( -3.509 -4.488 10.309) 11.778 18.418 ( -3.509 4.488 10.309) 11.778 18.603 ( 2.382 -4.233 -5.283) 7.176 18.603 ( 2.382 4.233 -5.283) 7.176 18.703 ( 1.022 -0.877 -0.486) 1.432 18.703 ( 1.022 0.877 -0.486) 1.432 18.971 ( 1.373 -2.510 0.387) 2.887 18.971 ( 1.373 2.510 0.387) 2.887 19.187 ( -3.199 -0.632 0.210) 3.268 19.187 ( -3.199 0.632 0.210) 3.268 22.067 ( -0.239 -0.383 -0.564) 0.722 22.067 ( -0.239 0.383 -0.564) 0.722 22.292 ( 0.634 -1.352 -0.184) 1.504 22.292 ( 0.634 1.352 -0.184) 1.504 22.675 ( 0.767 -0.837 1.496) 1.878 22.675 ( 0.767 0.837 1.496) 1.878 22.736 ( -0.064 -0.960 -0.636) 1.154 22.736 ( -0.064 0.960 -0.636) 1.154 27.233 ( -1.526 -0.571 0.640) 1.750 27.233 ( -1.526 0.571 0.640) 1.750 27.251 ( 1.566 -0.351 -0.542) 1.693 27.251 ( 1.566 0.351 -0.542) 1.693 27.574 ( -0.098 -0.040 -0.371) 0.386 27.574 ( -0.098 0.040 -0.371) 0.386 27.839 ( 0.427 -0.070 1.491) 1.552 27.839 ( 0.427 0.070 1.491) 1.552 35.655 ( -0.104 -2.029 1.627) 2.603 35.655 ( -0.104 2.029 1.627) 2.603 36.011 ( 0.694 -2.406 -0.020) 2.504 36.011 ( 0.694 2.406 -0.020) 2.504 36.843 ( -3.085 -3.514 3.534) 5.861 36.843 ( -3.085 3.514 3.534) 5.861 37.534 ( -0.916 -2.958 2.038) 3.707 37.534 ( -0.916 2.958 2.038) 3.707 37.766 ( -9.541 -2.865 0.678) 9.985 37.766 ( -9.541 2.865 0.678) 9.985 37.947 ( 11.161 -1.688 -1.682) 11.412 37.947 ( 11.161 1.688 -1.682) 11.412 38.787 ( -7.716 -4.756 -5.038) 10.370 38.787 ( -7.716 4.756 -5.038) 10.370 39.883 ( 3.840 -4.295 -2.126) 6.141 39.883 ( 3.840 4.295 -2.126) 6.141 ======================= Grid point 134 (75/84) ======================= q-point: ( 0.09 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 4.815 -17.216 21.837) 28.221 2.062 ( 4.815 17.216 21.837) 28.221 2.396 ( 14.822 -15.519 -0.786) 21.475 2.396 ( 14.822 15.519 -0.786) 21.475 2.597 ( 14.409 -9.020 -11.366) 20.449 2.597 ( 14.409 9.020 -11.366) 20.449 2.679 ( 1.962 -10.918 -2.031) 11.277 2.679 ( 1.962 10.918 -2.031) 11.277 3.099 ( 6.544 -11.177 -11.310) 17.195 3.099 ( 6.544 11.177 -11.310) 17.195 3.512 ( 5.059 -4.320 -5.928) 8.911 3.512 ( 5.059 4.320 -5.928) 8.911 4.185 ( 1.820 -10.697 9.868) 14.667 4.185 ( 1.820 10.697 9.868) 14.667 4.196 ( 0.422 -2.729 -1.670) 3.228 4.196 ( 0.422 2.729 -1.670) 3.228 4.476 ( -7.613 -5.712 9.359) 13.348 4.476 ( -7.613 5.712 9.359) 13.348 4.683 ( 0.388 -8.246 -1.131) 8.332 4.683 ( 0.388 8.246 -1.131) 8.332 4.768 ( 1.672 -3.509 0.252) 3.895 4.768 ( 1.672 3.509 0.252) 3.895 4.924 ( 3.592 -8.829 8.012) 12.452 4.924 ( 3.592 8.829 8.012) 12.452 5.074 ( 1.033 -5.380 1.954) 5.816 5.074 ( 1.033 5.380 1.954) 5.816 5.302 ( 6.215 -7.896 4.872) 11.167 5.302 ( 6.215 7.896 4.872) 11.167 5.589 ( 0.158 -4.246 0.468) 4.275 5.589 ( 0.158 4.246 0.468) 4.275 5.650 ( 0.795 -5.531 -3.051) 6.367 5.650 ( 0.795 5.531 -3.051) 6.367 5.725 ( 0.871 -3.701 -1.094) 3.956 5.725 ( 0.871 3.701 -1.094) 3.956 6.004 ( -2.635 -2.037 0.785) 3.422 6.004 ( -2.635 2.037 0.785) 3.422 6.194 ( -1.963 -5.690 -3.977) 7.214 6.194 ( -1.963 5.690 -3.977) 7.214 6.435 ( -7.162 -4.079 -0.644) 8.268 6.435 ( -7.162 4.079 -0.644) 8.268 6.561 ( 0.855 -3.710 -2.062) 4.329 6.561 ( 0.855 3.710 -2.062) 4.329 6.719 ( -1.195 -7.186 -1.070) 7.363 6.719 ( -1.195 7.186 -1.070) 7.363 6.866 ( 3.411 -12.699 -6.792) 14.800 6.866 ( 3.411 12.699 -6.792) 14.800 7.081 ( 5.809 -3.911 -5.274) 8.766 7.081 ( 5.809 3.911 -5.274) 8.766 7.118 ( 5.527 -6.889 1.492) 8.957 7.118 ( 5.527 6.889 1.492) 8.957 7.400 ( 0.557 -2.061 1.153) 2.426 7.400 ( 0.557 2.061 1.153) 2.426 7.505 ( -1.787 -5.033 -4.162) 6.771 7.505 ( -1.787 5.033 -4.162) 6.771 7.654 ( -2.694 -4.566 6.038) 8.035 7.654 ( -2.694 4.566 6.038) 8.035 7.884 ( 3.193 -2.548 -4.010) 5.724 7.884 ( 3.193 2.548 -4.010) 5.724 8.211 ( -2.847 -0.501 3.445) 4.497 8.211 ( -2.847 0.501 3.445) 4.497 8.436 ( -5.186 -1.945 5.608) 7.882 8.436 ( -5.186 1.945 5.608) 7.882 8.638 ( 0.895 -9.060 -3.547) 9.771 8.638 ( 0.895 9.060 -3.547) 9.771 8.828 ( -2.107 -5.643 2.701) 6.602 8.828 ( -2.107 5.643 2.701) 6.602 9.038 ( 0.529 -1.137 -1.302) 1.808 9.038 ( 0.529 1.137 -1.302) 1.808 9.241 ( -2.858 -0.679 1.865) 3.480 9.241 ( -2.858 0.679 1.865) 3.480 9.533 ( -0.374 -5.184 0.321) 5.208 9.533 ( -0.374 5.184 0.321) 5.208 9.783 ( -2.173 -2.352 -3.100) 4.456 9.783 ( -2.173 2.352 -3.100) 4.456 9.921 ( -0.920 -5.799 1.747) 6.126 9.921 ( -0.920 5.799 1.747) 6.126 10.886 ( 10.018 -1.502 1.354) 10.220 10.886 ( 10.018 1.502 1.354) 10.220 11.413 ( 2.346 -1.916 1.856) 3.552 11.413 ( 2.346 1.916 1.856) 3.552 11.655 ( -3.504 -2.065 -0.152) 4.070 11.655 ( -3.504 2.065 -0.152) 4.070 11.861 ( -5.153 -0.237 -4.158) 6.626 11.861 ( -5.153 0.237 -4.158) 6.626 12.079 ( 0.966 -0.468 2.395) 2.625 12.079 ( 0.966 0.468 2.395) 2.625 12.204 ( 4.547 -0.489 -0.713) 4.628 12.204 ( 4.547 0.489 -0.713) 4.628 12.708 ( -0.681 -1.542 1.186) 2.062 12.708 ( -0.681 1.542 1.186) 2.062 12.893 ( 1.820 -5.046 -1.575) 5.591 12.893 ( 1.820 5.046 -1.575) 5.591 13.180 ( 2.582 -6.637 0.444) 7.136 13.180 ( 2.582 6.637 0.444) 7.136 13.448 ( -1.383 -5.979 -1.660) 6.357 13.448 ( -1.383 5.979 -1.660) 6.357 13.912 ( -6.787 -0.939 3.763) 7.817 13.912 ( -6.787 0.939 3.763) 7.817 14.034 ( -8.185 -1.311 0.170) 8.291 14.034 ( -8.185 1.311 0.170) 8.291 14.279 ( 5.383 -7.067 0.642) 8.907 14.279 ( 5.383 7.067 0.642) 8.907 14.546 ( 2.862 -1.899 -0.460) 3.465 14.546 ( 2.862 1.899 -0.460) 3.465 15.046 ( 6.620 -2.254 -1.158) 7.089 15.046 ( 6.620 2.254 -1.158) 7.089 15.272 ( -1.856 -7.658 4.341) 8.996 15.272 ( -1.856 7.658 4.341) 8.996 15.622 ( 0.813 -2.934 -7.325) 7.932 15.622 ( 0.813 2.934 -7.325) 7.932 15.898 ( -6.759 -1.668 -3.053) 7.602 15.898 ( -6.759 1.668 -3.053) 7.602 16.221 ( 10.361 -1.810 1.595) 10.638 16.221 ( 10.361 1.810 1.595) 10.638 16.691 ( -6.633 -3.478 3.142) 8.122 16.691 ( -6.633 3.478 3.142) 8.122 16.859 ( -5.281 -3.831 -4.410) 7.875 16.859 ( -5.281 3.831 -4.410) 7.875 17.180 ( 0.646 -5.293 3.172) 6.204 17.180 ( 0.646 5.293 3.172) 6.204 17.546 ( 1.234 -0.517 -2.957) 3.246 17.546 ( 1.234 0.517 -2.957) 3.246 17.745 ( -2.488 -1.697 -1.778) 3.497 17.745 ( -2.488 1.697 -1.778) 3.497 17.892 ( 4.687 -3.336 -2.109) 6.128 17.892 ( 4.687 3.336 -2.109) 6.128 18.386 ( -5.847 -2.133 7.845) 10.014 18.386 ( -5.847 2.133 7.845) 10.014 18.552 ( -4.950 -4.199 -2.329) 6.897 18.552 ( -4.950 4.199 -2.329) 6.897 18.712 ( -0.200 -2.797 -1.493) 3.177 18.712 ( -0.200 2.797 -1.493) 3.177 18.901 ( -6.254 -3.569 -3.239) 7.895 18.901 ( -6.254 3.569 -3.239) 7.895 19.146 ( -2.563 -2.186 4.441) 5.574 19.146 ( -2.563 2.186 4.441) 5.574 22.062 ( -0.119 -0.791 0.078) 0.803 22.062 ( -0.119 0.791 0.078) 0.803 22.267 ( -2.643 -2.935 -0.960) 4.065 22.267 ( -2.643 2.935 -0.960) 4.065 22.657 ( -1.772 -0.407 -0.524) 1.892 22.657 ( -1.772 0.407 -0.524) 1.892 22.758 ( 1.331 -3.015 0.067) 3.296 22.758 ( 1.331 3.015 0.067) 3.296 27.206 ( -1.186 -0.973 0.438) 1.596 27.206 ( -1.186 0.973 0.438) 1.596 27.299 ( 3.112 -0.493 -0.317) 3.167 27.299 ( 3.112 0.493 -0.317) 3.167 27.579 ( 0.801 -0.373 -0.120) 0.892 27.579 ( 0.801 0.373 -0.120) 0.892 27.847 ( -0.096 -0.514 0.184) 0.554 27.847 ( -0.096 0.514 0.184) 0.554 35.688 ( 2.855 -5.001 1.202) 5.883 35.688 ( 2.855 5.001 1.202) 5.883 36.025 ( 0.988 -1.456 -0.854) 1.956 36.025 ( 0.988 1.456 -0.854) 1.956 36.735 ( -9.782 -3.337 6.816) 12.381 36.735 ( -9.782 3.337 6.816) 12.381 37.572 ( -2.526 -2.133 4.591) 5.657 37.572 ( -2.526 2.133 4.591) 5.657 37.609 ( 1.288 -5.636 -0.991) 5.866 37.609 ( 1.288 5.636 -0.991) 5.866 38.147 ( 8.595 -8.317 -6.647) 13.683 38.147 ( 8.595 8.317 -6.647) 13.683 38.880 ( 14.711 -4.761 10.510) 18.696 38.880 ( 14.711 4.761 10.510) 18.696 39.915 ( 2.520 -10.403 -7.551) 13.099 39.915 ( 2.520 10.403 -7.551) 13.099 ======================= Grid point 136 (76/84) ======================= q-point: ( 0.18 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 5.079 -14.170 12.534) 19.588 2.263 ( 5.079 14.170 12.534) 19.588 2.539 ( 8.576 -2.783 -4.856) 10.241 2.539 ( 8.576 2.783 -4.856) 10.241 2.760 ( 6.606 -7.857 8.340) 13.227 2.760 ( 6.606 7.857 8.340) 13.227 3.043 ( 28.915 -7.100 -11.810) 32.031 3.043 ( 28.915 7.100 -11.810) 32.031 3.149 ( 6.109 -9.277 -4.889) 12.136 3.149 ( 6.109 9.277 -4.889) 12.136 3.628 ( 9.074 -7.262 -6.962) 13.548 3.628 ( 9.074 7.262 -6.962) 13.548 4.132 ( -5.871 -2.990 -5.180) 8.382 4.132 ( -5.871 2.990 -5.180) 8.382 4.297 ( 7.506 -4.644 4.032) 9.704 4.297 ( 7.506 4.644 4.032) 9.704 4.370 ( -5.527 -10.213 6.793) 13.453 4.370 ( -5.527 10.213 6.793) 13.453 4.703 ( -3.776 -6.650 -2.380) 8.009 4.703 ( -3.776 6.650 -2.380) 8.009 4.820 ( 5.517 -3.690 3.722) 7.610 4.820 ( 5.517 3.690 3.722) 7.610 5.031 ( -1.010 -9.492 9.213) 13.267 5.031 ( -1.010 9.492 9.213) 13.267 5.157 ( 7.095 -9.131 7.135) 13.588 5.157 ( 7.095 9.131 7.135) 13.588 5.449 ( 3.979 -11.944 -0.070) 12.589 5.449 ( 3.979 11.944 -0.070) 12.589 5.588 ( 0.032 -3.176 2.124) 3.821 5.588 ( 0.032 3.176 2.124) 3.821 5.661 ( 1.615 -4.244 -3.041) 5.465 5.661 ( 1.615 4.244 -3.041) 5.465 5.748 ( 2.443 -7.825 2.550) 8.585 5.748 ( 2.443 7.825 2.550) 8.585 5.985 ( 3.537 -3.251 -0.764) 4.865 5.985 ( 3.537 3.251 -0.764) 4.865 6.135 ( -2.144 -3.046 -4.050) 5.502 6.135 ( -2.144 3.046 -4.050) 5.502 6.289 ( -6.480 -5.485 -0.059) 8.490 6.289 ( -6.480 5.485 -0.059) 8.490 6.507 ( -5.446 -1.618 -0.817) 5.740 6.507 ( -5.446 1.618 -0.817) 5.740 6.704 ( 3.970 -1.987 -7.419) 8.646 6.704 ( 3.970 1.987 -7.419) 8.646 6.984 ( 8.446 -8.828 -3.112) 12.607 6.984 ( 8.446 8.828 -3.112) 12.607 7.110 ( 1.261 -4.569 -6.057) 7.691 7.110 ( 1.261 4.569 -6.057) 7.691 7.181 ( 0.256 -4.905 1.143) 5.043 7.181 ( 0.256 4.905 1.143) 5.043 7.380 ( 0.382 -7.242 -3.475) 8.042 7.380 ( 0.382 7.242 -3.475) 8.042 7.535 ( 4.866 -6.124 -1.102) 7.899 7.535 ( 4.866 6.124 -1.102) 7.899 7.656 ( -0.420 -5.664 4.349) 7.153 7.656 ( -0.420 5.664 4.349) 7.153 7.874 ( -3.265 -4.333 -2.712) 6.065 7.874 ( -3.265 4.333 -2.712) 6.065 8.177 ( -3.701 -5.039 9.080) 11.024 8.177 ( -3.701 5.039 9.080) 11.024 8.361 ( -5.432 -3.136 2.903) 6.911 8.361 ( -5.432 3.136 2.903) 6.911 8.666 ( 4.520 -8.883 -3.217) 10.473 8.666 ( 4.520 8.883 -3.217) 10.473 8.799 ( -1.943 -6.526 1.844) 7.054 8.799 ( -1.943 6.526 1.844) 7.054 9.036 ( 0.430 -0.560 -1.658) 1.802 9.036 ( 0.430 0.560 -1.658) 1.802 9.192 ( -3.140 -1.869 1.023) 3.795 9.192 ( -3.140 1.869 1.023) 3.795 9.507 ( -2.578 -7.546 0.412) 7.985 9.507 ( -2.578 7.546 0.412) 7.985 9.729 ( -1.611 -3.242 -1.793) 4.040 9.729 ( -1.611 3.242 -1.793) 4.040 9.916 ( -0.913 -8.238 1.768) 8.475 9.916 ( -0.913 8.238 1.768) 8.475 11.116 ( 11.565 -1.823 1.971) 11.873 11.116 ( 11.565 1.823 1.971) 11.873 11.441 ( -0.507 -3.217 -0.758) 3.344 11.441 ( -0.507 3.217 -0.758) 3.344 11.634 ( 2.361 -1.088 3.620) 4.456 11.634 ( 2.361 1.088 3.620) 4.456 11.734 ( -4.724 -2.286 -5.696) 7.745 11.734 ( -4.724 2.286 -5.696) 7.745 12.122 ( 1.479 -0.909 3.558) 3.958 12.122 ( 1.479 0.909 3.558) 3.958 12.262 ( 2.586 -3.187 -3.196) 5.202 12.262 ( 2.586 3.187 -3.196) 5.202 12.728 ( 1.338 -2.416 2.053) 3.441 12.728 ( 1.338 2.416 2.053) 3.441 12.904 ( 0.170 -4.173 -0.279) 4.186 12.904 ( 0.170 4.173 -0.279) 4.186 13.206 ( -0.682 -3.860 -3.178) 5.046 13.206 ( -0.682 3.860 -3.178) 5.046 13.438 ( 2.775 -5.287 -0.389) 5.983 13.438 ( 2.775 5.287 -0.389) 5.983 13.817 ( -5.795 -1.933 3.150) 6.873 13.817 ( -5.795 1.933 3.150) 6.873 13.894 ( -7.145 -3.121 2.359) 8.146 13.894 ( -7.145 3.121 2.359) 8.146 14.332 ( -0.093 -6.385 -1.420) 6.542 14.332 ( -0.093 6.385 -1.420) 6.542 14.625 ( 5.131 -4.167 2.524) 7.076 14.625 ( 5.131 4.167 2.524) 7.076 15.049 ( -3.001 -5.348 -4.557) 7.640 15.049 ( -3.001 5.348 -4.557) 7.640 15.369 ( 6.044 -6.272 7.758) 11.664 15.369 ( 6.044 6.272 7.758) 11.664 15.583 ( -0.547 -1.298 -8.407) 8.525 15.583 ( -0.547 1.298 -8.407) 8.525 15.777 ( -5.116 -2.241 -1.088) 5.690 15.777 ( -5.116 2.241 -1.088) 5.690 16.386 ( 4.722 -4.417 2.774) 7.036 16.386 ( 4.722 4.417 2.774) 7.036 16.474 ( -12.274 -2.962 -4.595) 13.436 16.474 ( -12.274 2.962 -4.595) 13.436 16.835 ( 0.691 -2.299 4.793) 5.361 16.835 ( 0.691 2.299 4.793) 5.361 17.182 ( -1.754 -5.112 2.833) 6.102 17.182 ( -1.754 5.112 2.833) 6.102 17.550 ( 0.913 -1.010 -3.590) 3.839 17.550 ( 0.913 1.010 -3.590) 3.839 17.692 ( -1.517 -0.361 -4.060) 4.349 17.692 ( -1.517 0.361 -4.060) 4.349 17.933 ( -0.334 -3.977 -1.623) 4.308 17.933 ( -0.334 3.977 -1.623) 4.308 18.253 ( -9.884 -4.347 1.196) 10.864 18.253 ( -9.884 4.347 1.196) 10.864 18.443 ( -6.981 -3.118 5.406) 9.364 18.443 ( -6.981 3.118 5.406) 9.364 18.676 ( -2.448 -2.634 -1.139) 3.772 18.676 ( -2.448 2.634 -1.139) 3.772 18.781 ( -3.392 -2.236 -6.703) 7.838 18.781 ( -3.392 2.236 -6.703) 7.838 19.129 ( -1.928 -3.758 4.824) 6.412 19.129 ( -1.928 3.758 4.824) 6.412 22.061 ( -0.227 -1.061 0.562) 1.222 22.061 ( -0.227 1.061 0.562) 1.222 22.203 ( -3.185 -3.577 -1.187) 4.934 22.203 ( -3.185 3.577 -1.187) 4.934 22.624 ( -1.182 -0.705 -1.112) 1.769 22.624 ( -1.182 0.705 -1.112) 1.769 22.766 ( -0.581 -3.775 0.236) 3.827 22.766 ( -0.581 3.775 0.236) 3.827 27.195 ( -0.190 -1.124 0.502) 1.246 27.195 ( -0.190 1.124 0.502) 1.246 27.356 ( 2.966 -0.974 -0.012) 3.122 27.356 ( 2.966 0.974 -0.012) 3.122 27.599 ( 1.232 -0.606 -0.008) 1.373 27.599 ( 1.232 0.606 -0.008) 1.373 27.838 ( -0.682 -0.759 -0.690) 1.232 27.838 ( -0.682 0.759 -0.690) 1.232 35.767 ( 4.656 -6.264 1.191) 7.895 35.767 ( 4.656 6.264 1.191) 7.895 36.033 ( 0.345 -4.669 -0.679) 4.730 36.033 ( 0.345 4.669 -0.679) 4.730 36.621 ( -5.425 -4.211 6.972) 9.787 36.621 ( -5.425 4.211 6.972) 9.787 37.500 ( -3.706 -6.197 -0.884) 7.275 37.500 ( -3.706 6.197 -0.884) 7.275 37.754 ( 8.952 -5.707 3.678) 11.236 37.754 ( 8.952 5.707 3.678) 11.236 38.222 ( 4.807 -7.441 -6.180) 10.801 38.222 ( 4.807 7.441 -6.180) 10.801 39.277 ( 16.755 -13.711 15.419) 26.579 39.277 ( 16.755 13.711 15.419) 26.579 39.922 ( 4.203 -13.189 -9.997) 17.075 39.922 ( 4.203 13.189 -9.997) 17.075 ======================= Grid point 138 (77/84) ======================= q-point: ( 0.27 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 2.831 -8.357 2.839) 9.269 2.363 ( 2.831 8.357 2.839) 9.269 2.716 ( 8.773 -3.717 -1.783) 9.693 2.716 ( 8.773 3.717 -1.783) 9.693 2.943 ( 9.588 -6.431 12.525) 17.034 2.943 ( 9.588 6.431 12.525) 17.034 3.316 ( 13.081 -7.498 -4.050) 15.612 3.316 ( 13.081 7.498 -4.050) 15.612 3.445 ( 17.396 -3.474 -6.680) 18.955 3.445 ( 17.396 3.474 -6.680) 18.955 3.709 ( 4.739 -1.815 -8.103) 9.561 3.709 ( 4.739 1.815 -8.103) 9.561 3.966 ( -6.706 -3.484 -3.808) 8.463 3.966 ( -6.706 3.484 -3.808) 8.463 4.322 ( -2.039 -4.854 4.926) 7.209 4.322 ( -2.039 4.854 4.926) 7.209 4.513 ( 4.274 -9.877 -0.467) 10.772 4.513 ( 4.274 9.877 -0.467) 10.772 4.642 ( 5.915 -2.200 1.084) 6.403 4.642 ( 5.915 2.200 1.084) 6.403 4.902 ( 1.103 -5.838 -1.190) 6.059 4.902 ( 1.103 5.838 -1.190) 6.059 5.012 ( -3.612 -4.827 5.777) 8.350 5.012 ( -3.612 4.827 5.777) 8.350 5.240 ( -1.150 -7.589 3.181) 8.309 5.240 ( -1.150 7.589 3.181) 8.309 5.479 ( -2.144 -6.990 -2.243) 7.648 5.479 ( -2.144 6.990 -2.243) 7.648 5.592 ( -1.302 -3.602 1.563) 4.137 5.592 ( -1.302 3.602 1.563) 4.137 5.639 ( 0.689 -7.019 -0.851) 7.103 5.639 ( 0.689 7.019 -0.851) 7.103 5.854 ( 5.532 -1.120 3.956) 6.893 5.854 ( 5.532 1.120 3.956) 6.893 6.033 ( -3.876 -5.117 -0.965) 6.491 6.033 ( -3.876 5.117 -0.965) 6.491 6.155 ( 8.022 -3.634 2.433) 9.137 6.155 ( 8.022 3.634 2.433) 9.137 6.248 ( -0.271 -3.567 -1.679) 3.952 6.248 ( -0.271 3.567 -1.679) 3.952 6.446 ( 2.642 -5.097 -0.395) 5.754 6.446 ( 2.642 5.097 -0.395) 5.754 6.737 ( 2.057 -1.511 -1.620) 3.023 6.737 ( 2.057 1.511 -1.620) 3.023 7.017 ( -5.660 -4.735 3.002) 7.967 7.017 ( -5.660 4.735 3.002) 7.967 7.115 ( 3.060 -6.749 -5.401) 9.170 7.115 ( 3.060 6.749 -5.401) 9.170 7.218 ( 4.768 -2.137 -2.785) 5.920 7.218 ( 4.768 2.137 -2.785) 5.920 7.443 ( 7.794 -9.307 -7.379) 14.206 7.443 ( 7.794 9.307 -7.379) 14.206 7.589 ( 0.227 -2.323 1.125) 2.591 7.589 ( 0.227 2.323 1.125) 2.591 7.684 ( 2.209 -7.614 -1.175) 8.015 7.684 ( 2.209 7.614 -1.175) 8.015 7.780 ( -2.357 -5.673 -0.293) 6.150 7.780 ( -2.357 5.673 -0.293) 6.150 8.176 ( -2.551 -9.428 10.423) 14.284 8.176 ( -2.551 9.428 10.423) 14.284 8.262 ( -5.906 -2.161 1.289) 6.420 8.262 ( -5.906 2.161 1.289) 6.420 8.734 ( 1.238 -2.978 2.215) 3.912 8.734 ( 1.238 2.978 2.215) 3.912 8.806 ( 4.772 -4.873 -6.065) 9.127 8.806 ( 4.772 4.873 -6.065) 9.127 9.045 ( 0.753 -1.916 1.572) 2.590 9.045 ( 0.753 1.916 1.572) 2.590 9.148 ( -1.204 -3.607 -0.752) 3.877 9.148 ( -1.204 3.607 -0.752) 3.877 9.461 ( -2.493 -6.599 1.479) 7.207 9.461 ( -2.493 6.599 1.479) 7.207 9.697 ( -1.168 -2.484 -1.879) 3.327 9.697 ( -1.168 2.484 -1.879) 3.327 9.907 ( -0.813 -7.521 1.530) 7.718 9.907 ( -0.813 7.521 1.530) 7.718 11.205 ( -2.735 -1.983 -0.040) 3.378 11.205 ( -2.735 1.983 -0.040) 3.378 11.510 ( 7.504 -3.093 0.041) 8.117 11.510 ( 7.504 3.093 0.041) 8.117 11.613 ( -1.261 -3.473 -5.443) 6.579 11.613 ( -1.261 3.473 -5.443) 6.579 11.781 ( 6.954 -3.099 6.230) 9.837 11.781 ( 6.954 3.099 6.230) 9.837 12.151 ( -0.508 -2.193 1.796) 2.880 12.151 ( -0.508 2.193 1.796) 2.880 12.288 ( 2.927 -4.188 -3.255) 6.058 12.288 ( 2.927 4.188 -3.255) 6.058 12.746 ( -0.758 -4.140 0.898) 4.304 12.746 ( -0.758 4.140 0.898) 4.304 12.907 ( -0.119 -3.043 0.931) 3.184 12.907 ( -0.119 3.043 0.931) 3.184 13.141 ( -2.883 -1.379 -3.411) 4.675 13.141 ( -2.883 1.379 -3.411) 4.675 13.518 ( 2.950 -1.707 -1.387) 3.680 13.518 ( 2.950 1.707 -1.387) 3.680 13.729 ( -3.375 -2.598 3.852) 5.742 13.729 ( -3.375 2.598 3.852) 5.742 13.808 ( -3.573 -2.287 1.330) 4.446 13.808 ( -3.573 2.287 1.330) 4.446 14.285 ( -2.511 -3.094 -2.969) 4.970 14.285 ( -2.511 3.094 -2.969) 4.970 14.727 ( 2.568 -6.755 4.861) 8.709 14.727 ( 2.568 6.755 4.861) 8.709 14.993 ( 0.593 -2.902 -2.921) 4.160 14.993 ( 0.593 2.902 -2.921) 4.160 15.441 ( -3.311 -3.980 2.095) 5.585 15.441 ( -3.311 3.980 2.095) 5.585 15.519 ( -1.894 -3.341 -5.426) 6.647 15.519 ( -1.894 3.341 -5.426) 6.647 15.703 ( -2.541 -0.919 1.632) 3.157 15.703 ( -2.541 0.919 1.632) 3.157 16.212 ( -11.243 -0.523 -0.300) 11.259 16.212 ( -11.243 0.523 -0.300) 11.259 16.456 ( 0.642 -5.327 -5.020) 7.347 16.456 ( 0.642 5.327 -5.020) 7.347 16.884 ( -0.145 -4.937 9.890) 11.055 16.884 ( -0.145 4.937 9.890) 11.055 17.168 ( -0.577 -3.988 1.517) 4.306 17.168 ( -0.577 3.988 1.517) 4.306 17.544 ( 0.297 -1.782 -3.583) 4.013 17.544 ( 0.297 1.782 -3.583) 4.013 17.644 ( -0.892 -1.374 -5.599) 5.834 17.644 ( -0.892 1.374 -5.599) 5.834 17.839 ( -7.856 -4.757 1.066) 9.246 17.839 ( -7.856 4.757 1.066) 9.246 18.131 ( -3.109 -3.200 0.148) 4.464 18.131 ( -3.109 3.200 0.148) 4.464 18.356 ( -5.156 -1.959 5.271) 7.629 18.356 ( -5.156 1.959 5.271) 7.629 18.610 ( -3.863 -2.996 -2.941) 5.705 18.610 ( -3.863 2.996 -2.941) 5.705 18.704 ( -1.755 -2.111 -4.580) 5.339 18.704 ( -1.755 2.111 -4.580) 5.339 19.125 ( -0.829 -3.666 3.044) 4.837 19.125 ( -0.829 3.666 3.044) 4.837 22.058 ( -0.493 -1.125 0.725) 1.426 22.058 ( -0.493 1.125 0.725) 1.426 22.146 ( -2.257 -3.278 -0.923) 4.086 22.146 ( -2.257 3.278 -0.923) 4.086 22.602 ( -0.598 -0.841 -0.839) 1.330 22.602 ( -0.598 0.841 -0.839) 1.330 22.745 ( -1.666 -3.274 0.152) 3.676 22.745 ( -1.666 3.274 0.152) 3.676 27.203 ( 0.636 -0.893 0.635) 1.267 27.203 ( 0.636 0.893 0.635) 1.267 27.403 ( 2.071 -1.166 0.117) 2.379 27.403 ( 2.071 1.166 0.117) 2.379 27.621 ( 1.106 -0.637 0.045) 1.277 27.621 ( 1.106 0.637 0.045) 1.277 27.818 ( -0.932 -0.632 -0.967) 1.484 27.818 ( -0.932 0.632 -0.967) 1.484 35.859 ( 3.955 -5.838 1.776) 7.272 35.859 ( 3.955 5.838 1.776) 7.272 36.039 ( 0.820 -6.565 0.051) 6.616 36.039 ( 0.820 6.565 0.051) 6.616 36.609 ( 0.530 -2.936 4.600) 5.483 36.609 ( 0.530 2.936 4.600) 5.483 37.399 ( -6.754 -5.972 -2.172) 9.273 37.399 ( -6.754 5.972 -2.172) 9.273 37.943 ( 8.667 -7.870 4.575) 12.569 37.943 ( 8.667 7.870 4.575) 12.569 38.289 ( 5.618 -6.746 -4.660) 9.940 38.289 ( 5.618 6.746 -4.660) 9.940 39.581 ( 8.887 -14.173 8.802) 18.903 39.581 ( 8.887 14.173 8.802) 18.903 39.990 ( 7.267 -11.023 -5.392) 14.261 39.990 ( 7.267 11.023 -5.392) 14.261 ======================= Grid point 140 (78/84) ======================= q-point: ( 0.36 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 2.713 -4.543 0.924) 5.372 2.424 ( 2.713 4.543 0.924) 5.372 2.811 ( 2.568 -3.801 1.100) 4.717 2.811 ( 2.568 3.801 1.100) 4.717 3.230 ( 12.889 -2.783 7.325) 15.084 3.230 ( 12.889 2.783 7.325) 15.084 3.411 ( -3.078 -3.045 -1.116) 4.472 3.411 ( -3.078 3.045 -1.116) 4.472 3.644 ( 10.688 -7.894 -5.539) 14.395 3.644 ( 10.688 7.894 -5.539) 14.395 3.804 ( 9.214 -4.866 -7.723) 12.970 3.804 ( 9.214 4.866 -7.723) 12.970 3.925 ( 3.032 -4.782 0.366) 5.674 3.925 ( 3.032 4.782 0.366) 5.674 4.313 ( -0.640 -4.259 1.987) 4.744 4.313 ( -0.640 4.259 1.987) 4.744 4.484 ( -0.257 -4.241 -4.035) 5.859 4.484 ( -0.257 4.241 -4.035) 5.859 4.823 ( -1.141 -4.917 -0.456) 5.069 4.823 ( -1.141 4.917 -0.456) 5.069 4.878 ( 4.703 -3.306 3.784) 6.882 4.878 ( 4.703 3.306 3.784) 6.882 4.993 ( -0.430 -1.715 2.056) 2.712 4.993 ( -0.430 1.715 2.056) 2.712 5.195 ( -5.717 -5.237 2.765) 8.232 5.195 ( -5.717 5.237 2.765) 8.232 5.394 ( -3.667 -2.616 -2.397) 5.102 5.394 ( -3.667 2.616 -2.397) 5.102 5.528 ( -3.999 -1.305 -2.313) 4.800 5.528 ( -3.999 1.305 -2.313) 4.800 5.642 ( -3.290 -1.266 1.997) 4.052 5.642 ( -3.290 1.266 1.997) 4.052 5.909 ( 2.465 -4.959 -2.613) 6.123 5.909 ( 2.465 4.959 -2.613) 6.123 6.067 ( 2.034 -4.713 3.638) 6.291 6.067 ( 2.034 4.713 3.638) 6.291 6.186 ( 1.839 -7.432 0.116) 7.657 6.186 ( 1.839 7.432 0.116) 7.657 6.312 ( 5.536 -5.043 -0.873) 7.540 6.312 ( 5.536 5.043 -0.873) 7.540 6.540 ( 2.957 -5.780 1.540) 6.672 6.540 ( 2.957 5.780 1.540) 6.672 6.799 ( 3.968 -3.306 1.853) 5.487 6.799 ( 3.968 3.306 1.853) 5.487 6.918 ( -5.194 -1.802 4.799) 7.298 6.918 ( -5.194 1.802 4.799) 7.298 7.132 ( 0.586 -4.086 -3.239) 5.247 7.132 ( 0.586 4.086 -3.239) 5.247 7.256 ( 0.655 -5.906 -3.195) 6.747 7.256 ( 0.655 5.906 -3.195) 6.747 7.488 ( 1.213 -1.723 -3.784) 4.331 7.488 ( 1.213 1.723 -3.784) 4.331 7.569 ( -2.369 -2.026 2.145) 3.784 7.569 ( -2.369 2.026 2.145) 3.784 7.723 ( 3.373 -2.912 -2.296) 5.013 7.723 ( 3.373 2.912 -2.296) 5.013 7.841 ( 3.512 -2.073 -1.055) 4.212 7.841 ( 3.512 2.073 -1.055) 4.212 8.170 ( 0.771 -4.909 4.032) 6.400 8.170 ( 0.771 4.909 4.032) 6.400 8.228 ( 1.414 -4.158 1.882) 4.778 8.228 ( 1.414 4.158 1.882) 4.778 8.768 ( 2.058 -3.474 2.616) 4.812 8.768 ( 2.058 3.474 2.616) 4.812 8.846 ( 2.215 -3.415 -6.415) 7.597 8.846 ( 2.215 3.415 -6.415) 7.597 9.081 ( 0.830 -4.278 2.403) 4.976 9.081 ( 0.830 4.278 2.403) 4.976 9.140 ( 0.417 -3.971 -1.166) 4.160 9.140 ( 0.417 3.971 -1.166) 4.160 9.440 ( -0.602 -5.251 2.647) 5.911 9.440 ( -0.602 5.251 2.647) 5.911 9.669 ( -0.351 -1.909 -2.092) 2.853 9.669 ( -0.351 1.909 -2.092) 2.853 9.902 ( -0.621 -5.441 0.832) 5.539 9.902 ( -0.621 5.441 0.832) 5.539 11.132 ( -3.699 -1.078 0.505) 3.886 11.132 ( -3.699 1.078 0.505) 3.886 11.488 ( -2.363 -7.020 -6.679) 9.974 11.488 ( -2.363 7.020 -6.679) 9.974 11.734 ( 8.254 -1.056 1.727) 8.499 11.734 ( 8.254 1.056 1.727) 8.499 11.943 ( 6.352 -1.536 5.821) 8.751 11.943 ( 6.352 1.536 5.821) 8.751 12.122 ( -2.013 -2.670 -1.064) 3.509 12.122 ( -2.013 2.670 -1.064) 3.509 12.334 ( 2.214 -1.738 -0.556) 2.869 12.334 ( 2.214 1.738 -0.556) 2.869 12.723 ( -1.054 -5.232 0.291) 5.345 12.723 ( -1.054 5.232 0.291) 5.345 12.891 ( -1.896 -3.346 -0.748) 3.918 12.891 ( -1.896 3.346 -0.748) 3.918 13.097 ( -0.533 -0.583 -0.522) 0.946 13.097 ( -0.533 0.583 -0.522) 0.946 13.447 ( -6.507 -3.173 -3.663) 8.114 13.447 ( -6.507 3.173 -3.663) 8.114 13.735 ( -3.085 -2.679 2.706) 4.901 13.735 ( -3.085 2.679 2.706) 4.901 13.832 ( 7.837 -0.091 0.721) 7.870 13.832 ( 7.837 0.091 0.721) 7.870 14.244 ( -0.110 -4.232 -1.578) 4.518 14.244 ( -0.110 4.232 -1.578) 4.518 14.752 ( -1.655 -4.003 3.240) 5.409 14.752 ( -1.655 4.003 3.240) 5.409 15.049 ( 5.061 -0.472 0.587) 5.116 15.049 ( 5.061 0.472 0.587) 5.116 15.313 ( -8.596 -1.678 1.007) 8.816 15.313 ( -8.596 1.678 1.007) 8.816 15.443 ( -3.620 -2.851 -4.122) 6.183 15.443 ( -3.620 2.851 -4.122) 6.183 15.686 ( -1.453 -3.712 2.650) 4.787 15.686 ( -1.453 3.712 2.650) 4.787 16.052 ( -5.974 -1.318 -1.365) 6.268 16.052 ( -5.974 1.318 -1.365) 6.268 16.371 ( -5.632 -4.262 -6.384) 9.521 16.371 ( -5.632 4.262 -6.384) 9.521 16.929 ( -0.903 -4.133 11.325) 12.090 16.929 ( -0.903 4.133 11.325) 12.090 17.183 ( 1.514 -3.090 0.323) 3.457 17.183 ( 1.514 3.090 0.323) 3.457 17.508 ( -2.241 -1.576 -2.283) 3.566 17.508 ( -2.241 1.576 -2.283) 3.566 17.612 ( 0.482 -0.635 -6.124) 6.176 17.612 ( 0.482 0.635 -6.124) 6.176 17.742 ( -2.424 -4.417 0.762) 5.096 17.742 ( -2.424 4.417 0.762) 5.096 18.104 ( -1.069 -3.817 2.630) 4.757 18.104 ( -1.069 3.817 2.630) 4.757 18.314 ( -1.873 -2.960 3.426) 4.900 18.314 ( -1.873 2.960 3.426) 4.900 18.510 ( -4.600 -3.208 -3.866) 6.811 18.510 ( -4.600 3.208 -3.866) 6.811 18.657 ( -1.628 -1.977 -2.434) 3.533 18.657 ( -1.628 1.977 -2.434) 3.533 19.128 ( -0.083 -2.621 1.076) 2.835 19.128 ( -0.083 2.621 1.076) 2.835 22.051 ( -0.528 -1.025 0.531) 1.270 22.051 ( -0.528 1.025 0.531) 1.270 22.110 ( -1.272 -2.409 -0.504) 2.771 22.110 ( -1.272 2.409 -0.504) 2.771 22.595 ( 0.078 -0.707 -0.195) 0.737 22.595 ( 0.078 0.707 -0.195) 0.737 22.711 ( -1.904 -2.319 -0.121) 3.003 22.711 ( -1.904 2.319 -0.121) 3.003 27.222 ( 0.965 -0.505 0.670) 1.279 27.222 ( 0.965 0.505 0.670) 1.279 27.432 ( 0.971 -1.036 0.008) 1.420 27.432 ( 0.971 1.036 0.008) 1.420 27.639 ( 0.793 -0.482 0.066) 0.930 27.639 ( 0.793 0.482 0.066) 0.930 27.796 ( -0.926 -0.347 -0.786) 1.263 27.796 ( -0.926 0.347 -0.786) 1.263 35.915 ( 0.922 -2.717 2.495) 3.802 35.915 ( 0.922 2.717 2.495) 3.802 36.071 ( 2.170 -4.141 0.712) 4.729 36.071 ( 2.170 4.141 0.712) 4.729 36.678 ( 4.780 -3.394 2.047) 6.210 36.678 ( 4.780 3.394 2.047) 6.210 37.235 ( -9.133 -5.908 -2.540) 11.170 37.235 ( -9.133 5.908 -2.540) 11.170 38.107 ( 6.032 -8.526 4.590) 11.408 38.107 ( 6.032 8.526 4.590) 11.408 38.371 ( 5.237 -6.825 -4.105) 9.532 38.371 ( 5.237 6.825 -4.105) 9.532 39.725 ( 3.892 -9.759 3.778) 11.165 39.725 ( 3.892 9.759 3.778) 11.165 40.101 ( 6.014 -7.441 -2.256) 9.830 40.101 ( 6.014 7.441 -2.256) 9.830 ======================= Grid point 142 (79/84) ======================= q-point: ( 0.45 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( 0.988 -1.413 -0.131) 1.729 2.464 ( 0.988 1.413 -0.131) 1.729 2.847 ( 0.475 -4.016 4.151) 5.795 2.847 ( 0.475 4.016 4.151) 5.795 3.272 ( -3.282 -1.910 -10.014) 10.710 3.272 ( -3.282 1.910 -10.014) 10.710 3.484 ( 4.729 -4.685 10.286) 12.252 3.484 ( 4.729 4.685 10.286) 12.252 3.736 ( 1.336 -2.935 -0.236) 3.233 3.736 ( 1.336 2.935 -0.236) 3.233 3.908 ( 1.962 -5.328 -1.350) 5.837 3.908 ( 1.962 5.328 -1.350) 5.837 4.042 ( 10.439 -10.488 -1.407) 14.864 4.042 ( 10.439 10.488 -1.407) 14.864 4.301 ( -2.082 -3.888 -3.764) 5.798 4.301 ( -2.082 3.888 -3.764) 5.798 4.506 ( 3.989 -2.842 -1.721) 5.192 4.506 ( 3.989 2.842 -1.721) 5.192 4.693 ( -7.180 -1.660 -3.171) 8.022 4.693 ( -7.180 1.660 -3.171) 8.022 4.987 ( -0.090 -0.994 1.875) 2.124 4.987 ( -0.090 0.994 1.875) 2.124 5.048 ( 5.934 -2.721 3.366) 7.345 5.048 ( 5.934 2.721 3.366) 7.345 5.121 ( -1.897 -2.951 2.708) 4.432 5.121 ( -1.897 2.951 2.708) 4.432 5.308 ( -4.452 -2.795 -0.269) 5.264 5.308 ( -4.452 2.795 -0.269) 5.264 5.428 ( -3.590 -2.451 -1.102) 4.485 5.428 ( -3.590 2.451 -1.102) 4.485 5.573 ( -3.907 -1.867 -0.752) 4.396 5.573 ( -3.907 1.867 -0.752) 4.396 5.949 ( 0.673 -0.539 2.135) 2.303 5.949 ( 0.673 0.539 2.135) 2.303 6.124 ( 3.647 -8.552 -3.330) 9.876 6.124 ( 3.647 8.552 -3.330) 9.876 6.227 ( 1.623 -3.796 2.469) 4.810 6.227 ( 1.623 3.795 2.469) 4.810 6.412 ( 4.023 -1.260 -2.808) 5.065 6.412 ( 4.023 1.260 -2.808) 5.065 6.531 ( -1.840 -5.807 -0.510) 6.112 6.531 ( -1.840 5.807 -0.510) 6.112 6.848 ( -1.178 -5.366 7.689) 9.450 6.848 ( -1.178 5.366 7.689) 9.450 6.925 ( 2.767 -6.242 1.276) 6.946 6.925 ( 2.767 6.242 1.276) 6.946 7.089 ( -1.298 -4.506 -5.118) 6.942 7.089 ( -1.298 4.506 -5.118) 6.942 7.285 ( 3.865 -3.754 0.424) 5.404 7.285 ( 3.865 3.754 0.424) 5.404 7.424 ( -6.349 -4.260 -0.418) 7.657 7.424 ( -6.349 4.260 -0.418) 7.657 7.584 ( 1.495 -0.892 3.144) 3.594 7.584 ( 1.495 0.892 3.144) 3.594 7.732 ( -6.334 -2.596 6.667) 9.556 7.732 ( -6.334 2.596 6.667) 9.556 7.837 ( 4.196 -4.008 -9.718) 11.318 7.837 ( 4.196 4.008 -9.718) 11.318 8.237 ( 1.093 -1.874 1.283) 2.521 8.237 ( 1.093 1.874 1.283) 2.521 8.314 ( 5.973 -1.323 0.672) 6.155 8.314 ( 5.973 1.323 0.672) 6.155 8.785 ( -0.988 -0.564 -2.098) 2.386 8.785 ( -0.988 0.564 -2.098) 2.386 8.901 ( 6.540 -7.265 -1.305) 9.861 8.901 ( 6.540 7.265 -1.305) 9.861 9.054 ( -4.595 -4.786 0.969) 6.705 9.054 ( -4.595 4.786 0.969) 6.705 9.133 ( -0.437 -3.549 -0.799) 3.664 9.133 ( -0.437 3.549 -0.799) 3.664 9.472 ( 1.827 -2.588 2.248) 3.884 9.472 ( 1.827 2.588 2.248) 3.884 9.669 ( 0.967 -2.374 -0.562) 2.624 9.669 ( 0.967 2.374 -0.562) 2.624 9.886 ( -1.235 -3.448 -0.057) 3.663 9.886 ( -1.235 3.448 -0.057) 3.663 11.093 ( -1.075 -0.447 1.517) 1.912 11.093 ( -1.075 0.447 1.517) 1.912 11.420 ( -1.286 -5.881 -6.117) 8.583 11.420 ( -1.286 5.881 -6.117) 8.583 11.849 ( 2.846 -2.053 2.290) 4.191 11.849 ( 2.846 2.053 2.290) 4.191 12.005 ( -0.992 -2.202 -2.747) 3.658 12.005 ( -0.992 2.202 -2.747) 3.658 12.146 ( 3.556 -0.522 7.097) 7.955 12.146 ( 3.556 0.522 7.097) 7.955 12.334 ( -1.621 -0.918 -1.497) 2.390 12.334 ( -1.621 0.918 -1.497) 2.390 12.737 ( 2.101 -3.917 0.593) 4.485 12.737 ( 2.101 3.917 0.593) 4.485 12.846 ( -1.320 -2.066 -2.722) 3.663 12.846 ( -1.320 2.066 -2.722) 3.663 13.101 ( 0.163 -0.888 1.136) 1.452 13.101 ( 0.163 0.888 1.136) 1.452 13.319 ( -4.064 -1.831 -3.608) 5.735 13.319 ( -4.064 1.831 -3.608) 5.735 13.692 ( -1.903 -1.694 0.860) 2.689 13.692 ( -1.903 1.694 0.860) 2.689 13.970 ( 4.844 -0.962 0.478) 4.961 13.970 ( 4.844 0.962 0.478) 4.961 14.256 ( 1.141 -3.693 -0.464) 3.893 14.256 ( 1.141 3.693 -0.464) 3.893 14.724 ( -1.629 -1.701 1.161) 2.626 14.724 ( -1.629 1.701 1.161) 2.626 15.136 ( 1.095 -0.621 4.060) 4.250 15.136 ( 1.095 0.621 4.060) 4.250 15.221 ( 0.098 -1.559 1.225) 1.985 15.221 ( 0.098 1.559 1.225) 1.985 15.360 ( -2.391 -2.050 -4.802) 5.743 15.360 ( -2.391 2.050 -4.802) 5.743 15.667 ( -1.482 -3.774 2.156) 4.593 15.667 ( -1.482 3.774 2.156) 4.593 15.961 ( -3.354 -1.535 -1.525) 3.991 15.961 ( -3.354 1.535 -1.525) 3.991 16.237 ( -4.481 -2.424 -4.194) 6.599 16.237 ( -4.481 2.424 -4.194) 6.599 16.969 ( -0.711 -1.649 9.513) 9.681 16.969 ( -0.711 1.649 9.513) 9.681 17.212 ( 1.171 -2.591 -0.258) 2.855 17.212 ( 1.171 2.591 -0.258) 2.855 17.471 ( -0.441 -1.854 -0.471) 1.963 17.471 ( -0.441 1.854 -0.471) 1.963 17.584 ( -0.007 -0.829 -5.755) 5.814 17.584 ( -0.007 0.829 -5.755) 5.814 17.735 ( 1.143 -2.022 -2.173) 3.180 17.735 ( 1.143 2.022 -2.173) 3.180 18.116 ( 0.284 -2.722 4.529) 5.292 18.116 ( 0.284 2.722 4.529) 5.292 18.318 ( 0.501 -2.437 2.424) 3.474 18.318 ( 0.501 2.437 2.424) 3.474 18.410 ( -3.865 -3.235 -3.264) 6.005 18.410 ( -3.865 3.235 -3.264) 6.005 18.619 ( -1.222 -1.191 -1.485) 2.262 18.619 ( -1.222 1.191 -1.485) 2.262 19.134 ( 0.585 -1.217 -0.411) 1.411 19.134 ( 0.585 1.217 -0.411) 1.411 22.047 ( -0.086 -0.661 0.220) 0.702 22.047 ( -0.086 0.661 0.220) 0.702 22.092 ( -0.528 -1.514 -0.173) 1.612 22.092 ( -0.528 1.514 -0.173) 1.612 22.602 ( 0.615 -0.571 0.226) 0.869 22.602 ( 0.615 0.571 0.226) 0.869 22.677 ( -1.416 -1.212 -0.214) 1.876 22.677 ( -1.416 1.212 -0.214) 1.876 27.241 ( 0.585 -0.202 0.508) 0.801 27.241 ( 0.585 0.202 0.508) 0.801 27.441 ( 0.111 -0.627 -0.043) 0.638 27.441 ( 0.111 0.627 -0.043) 0.638 27.652 ( 0.557 -0.255 -0.050) 0.615 27.652 ( 0.557 0.255 -0.050) 0.615 27.777 ( -0.782 -0.117 -0.291) 0.842 27.777 ( -0.782 0.117 -0.291) 0.842 35.930 ( -0.473 -2.078 2.714) 3.451 35.930 ( -0.473 2.078 2.714) 3.451 36.105 ( 0.344 -2.735 1.599) 3.187 36.105 ( 0.344 2.735 1.599) 3.187 36.795 ( 6.379 -5.275 0.259) 8.281 36.795 ( 6.379 5.275 0.259) 8.281 37.062 ( -6.875 -4.345 -2.723) 8.577 37.062 ( -6.875 4.345 -2.723) 8.577 38.205 ( 1.993 -9.150 4.127) 10.234 38.205 ( 1.993 9.150 4.127) 10.234 38.427 ( 2.959 -7.216 -4.390) 8.950 38.427 ( 2.959 7.216 -4.390) 8.950 39.770 ( -2.034 -8.210 5.806) 10.259 39.770 ( -2.034 8.210 5.806) 10.259 40.182 ( 4.999 -8.244 -4.810) 10.775 40.182 ( 4.999 8.244 -4.810) 10.775 ======================= Grid point 144 (80/84) ======================= q-point: (-0.45 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( -1.409 -1.411 -0.037) 1.994 2.458 ( -1.409 1.411 -0.037) 1.994 2.871 ( -1.099 -1.094 3.743) 4.051 2.871 ( -1.099 1.094 3.743) 4.051 3.183 ( -1.482 -4.148 -4.092) 6.012 3.183 ( -1.482 4.148 -4.092) 6.012 3.507 ( -7.559 -5.485 8.543) 12.657 3.507 ( -7.559 5.485 8.543) 12.657 3.718 ( -2.431 -3.331 1.882) 4.533 3.718 ( -2.431 3.331 1.882) 4.533 3.935 ( 0.925 -4.092 -4.062) 5.839 3.935 ( 0.925 4.092 -4.062) 5.839 4.118 ( -5.867 -0.573 -6.791) 8.993 4.118 ( -5.867 0.573 -6.791) 8.993 4.242 ( 3.314 -4.001 0.690) 5.241 4.242 ( 3.314 4.001 0.690) 5.241 4.510 ( -3.861 -0.626 -3.135) 5.013 4.510 ( -3.861 0.626 -3.135) 5.013 4.649 ( 4.775 -0.651 0.610) 4.858 4.649 ( 4.775 0.651 0.610) 4.858 4.972 ( -1.516 -2.399 1.618) 3.267 4.972 ( -1.516 2.399 1.618) 3.267 5.092 ( -3.081 -2.371 2.414) 4.576 5.092 ( -3.081 2.371 2.414) 4.576 5.141 ( 0.407 -1.099 0.328) 1.217 5.141 ( 0.408 1.099 0.328) 1.217 5.300 ( 6.686 -1.862 -1.596) 7.122 5.300 ( 6.686 1.862 -1.596) 7.122 5.464 ( 4.810 -1.424 -1.472) 5.228 5.464 ( 4.810 1.424 -1.472) 5.228 5.528 ( 1.292 -1.328 1.717) 2.526 5.528 ( 1.292 1.328 1.717) 2.526 5.925 ( -5.336 -3.995 4.807) 8.218 5.925 ( -5.336 3.995 4.807) 8.218 6.114 ( -0.827 -1.358 -2.811) 3.229 6.114 ( -0.827 1.358 -2.811) 3.229 6.248 ( -3.684 -6.579 0.786) 7.581 6.248 ( -3.684 6.579 0.786) 7.581 6.419 ( 2.323 -2.143 -4.547) 5.538 6.419 ( 2.323 2.143 -4.547) 5.538 6.540 ( 0.608 -4.488 0.672) 4.579 6.540 ( 0.608 4.488 0.672) 4.579 6.861 ( -0.326 -4.248 4.601) 6.270 6.861 ( -0.326 4.248 4.601) 6.270 6.984 ( 3.393 -8.208 -0.140) 8.883 6.984 ( 3.393 8.208 -0.140) 8.883 7.058 ( -0.204 -2.061 -4.445) 4.904 7.058 ( -0.204 2.061 -4.445) 4.904 7.297 ( -4.453 -4.177 -0.073) 6.106 7.297 ( -4.453 4.177 -0.073) 6.106 7.379 ( 0.887 -4.333 3.037) 5.365 7.379 ( 0.887 4.333 3.037) 5.365 7.581 ( -3.741 -5.021 3.980) 7.419 7.581 ( -3.741 5.021 3.980) 7.419 7.660 ( -0.884 -4.287 2.710) 5.148 7.660 ( -0.884 4.287 2.710) 5.148 7.883 ( 2.803 -2.035 -5.231) 6.274 7.883 ( 2.803 2.035 -5.231) 6.274 8.221 ( -3.559 -1.927 3.367) 5.265 8.221 ( -3.559 1.927 3.367) 5.265 8.364 ( 0.791 -5.064 -3.453) 6.180 8.364 ( 0.791 5.064 -3.453) 6.180 8.763 ( -0.201 -0.526 -1.825) 1.909 8.763 ( -0.201 0.526 -1.825) 1.909 8.909 ( -6.015 -4.846 -0.916) 7.779 8.909 ( -6.015 4.846 -0.916) 7.779 9.049 ( 4.012 -5.022 1.285) 6.555 9.049 ( 4.012 5.022 1.285) 6.555 9.134 ( 1.299 -0.465 -0.884) 1.639 9.134 ( 1.299 0.465 -0.884) 1.639 9.491 ( -0.682 -1.175 0.668) 1.515 9.491 ( -0.682 1.175 0.668) 1.515 9.678 ( -0.282 -2.725 -0.993) 2.914 9.678 ( -0.282 2.725 -0.993) 2.914 9.871 ( -0.154 -0.516 1.093) 1.218 9.871 ( -0.154 0.516 1.093) 1.218 11.102 ( 1.073 -0.257 1.190) 1.623 11.102 ( 1.073 0.257 1.190) 1.623 11.379 ( -0.252 -1.392 -3.292) 3.583 11.379 ( -0.252 1.392 -3.292) 3.583 11.869 ( -1.925 -2.186 2.018) 3.544 11.869 ( -1.925 2.186 2.018) 3.544 11.966 ( -1.132 -1.056 -1.453) 2.123 11.966 ( -1.132 1.056 -1.453) 2.123 12.207 ( -2.910 -0.342 4.966) 5.766 12.207 ( -2.910 0.342 4.966) 5.766 12.305 ( 1.127 -1.545 -1.203) 2.260 12.305 ( 1.127 1.545 -1.203) 2.260 12.765 ( 0.321 -1.566 -1.789) 2.399 12.765 ( 0.321 1.566 -1.789) 2.399 12.840 ( 2.580 -1.008 -2.665) 3.843 12.840 ( 2.580 1.008 -2.665) 3.843 13.103 ( -0.375 -0.421 1.544) 1.644 13.103 ( -0.375 0.421 1.544) 1.644 13.290 ( 2.403 -0.370 -1.545) 2.881 13.290 ( 2.403 0.370 -1.545) 2.881 13.689 ( 1.232 -2.223 1.140) 2.785 13.689 ( 1.232 2.223 1.140) 2.785 13.981 ( -3.686 -2.057 -0.420) 4.242 13.981 ( -3.686 2.057 -0.420) 4.242 14.252 ( -1.303 -1.408 -0.174) 1.926 14.252 ( -1.303 1.408 -0.174) 1.926 14.746 ( 3.799 -2.679 -0.617) 4.689 14.746 ( 3.799 2.679 -0.617) 4.689 15.141 ( -1.831 -2.652 3.459) 4.728 15.141 ( -1.831 2.652 3.459) 4.728 15.256 ( 0.334 -3.491 -0.383) 3.528 15.256 ( 0.334 3.491 -0.383) 3.528 15.344 ( 4.775 -1.349 -4.628) 6.786 15.344 ( 4.775 1.349 -4.628) 6.786 15.684 ( 2.601 -0.366 0.882) 2.771 15.684 ( 2.601 0.366 0.882) 2.771 15.915 ( -1.136 -0.990 1.973) 2.483 15.915 ( -1.136 0.990 1.973) 2.483 16.193 ( 1.177 -3.556 -0.145) 3.748 16.193 ( 1.177 3.556 -0.145) 3.748 16.998 ( -0.913 -0.787 6.625) 6.733 16.998 ( -0.913 0.787 6.625) 6.733 17.217 ( -0.208 -2.745 -0.653) 2.829 17.217 ( -0.208 2.745 -0.653) 2.829 17.488 ( 2.193 -3.042 -0.306) 3.763 17.488 ( 2.193 3.042 -0.306) 3.763 17.562 ( 0.867 -1.679 -5.250) 5.579 17.562 ( 0.867 1.679 -5.250) 5.579 17.747 ( 1.819 -1.302 -3.300) 3.987 17.747 ( 1.819 1.302 -3.300) 3.987 18.147 ( 0.164 -1.948 3.007) 3.586 18.147 ( 0.164 1.948 3.007) 3.586 18.323 ( -1.724 -3.726 1.596) 4.405 18.323 ( -1.724 3.726 1.596) 4.405 18.375 ( 2.331 -3.953 -0.732) 4.647 18.375 ( 2.331 3.953 -0.732) 4.647 18.602 ( 0.028 -0.897 -0.356) 0.965 18.602 ( 0.028 0.897 -0.356) 0.965 19.146 ( 1.344 -0.423 -1.414) 1.997 19.146 ( 1.344 0.423 -1.414) 1.997 22.052 ( 0.582 -0.604 -0.147) 0.851 22.052 ( 0.582 0.604 -0.147) 0.851 22.088 ( 0.152 -0.741 0.106) 0.763 22.088 ( 0.152 0.741 0.106) 0.763 22.609 ( -0.136 -0.096 -0.379) 0.414 22.609 ( -0.136 0.096 -0.379) 0.414 22.667 ( 0.472 -0.456 0.659) 0.930 22.667 ( 0.472 0.456 0.659) 0.930 27.246 ( -0.192 -0.096 0.084) 0.230 27.246 ( -0.192 0.096 0.084) 0.230 27.438 ( -0.497 -0.167 0.223) 0.570 27.438 ( -0.497 0.167 0.223) 0.570 27.657 ( 0.177 -0.132 -0.537) 0.581 27.657 ( 0.177 0.132 -0.537) 0.581 27.766 ( -0.433 -0.021 0.597) 0.738 27.766 ( -0.433 0.021 0.597) 0.738 35.931 ( -1.031 -4.775 2.758) 5.610 35.931 ( -1.031 4.775 2.758) 5.610 36.093 ( -2.715 -5.465 2.322) 6.529 36.093 ( -2.715 5.465 2.322) 6.529 36.821 ( -3.860 -7.451 -1.436) 8.514 36.821 ( -3.860 7.451 -1.436) 8.514 37.053 ( 7.998 -9.171 -2.278) 12.380 37.053 ( 7.998 9.171 -2.278) 12.380 38.221 ( -2.365 -10.236 3.334) 11.022 38.221 ( -2.365 10.236 3.334) 11.022 38.428 ( -0.165 -8.071 -5.066) 9.530 38.428 ( -0.165 8.071 -5.066) 9.530 39.708 ( -8.485 -10.727 9.154) 16.458 39.708 ( -8.485 10.727 9.154) 16.458 40.239 ( 4.488 -14.284 -7.734) 16.852 40.239 ( 4.488 14.284 -7.734) 16.852 ======================= Grid point 146 (81/84) ======================= q-point: (-0.36 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( -3.905 -4.201 1.265) 5.873 2.413 ( -3.905 4.201 1.265) 5.873 2.815 ( -6.121 -5.137 2.069) 8.254 2.815 ( -6.121 5.137 2.069) 8.254 3.131 ( -9.174 -4.548 5.701) 11.720 3.131 ( -9.174 4.548 5.701) 11.720 3.389 ( -6.386 -5.084 8.601) 11.858 3.389 ( -6.386 5.084 8.601) 11.858 3.661 ( -4.027 -3.030 0.383) 5.055 3.661 ( -4.027 3.030 0.383) 5.055 3.805 ( -7.785 -7.079 -14.089) 17.585 3.805 ( -7.785 7.079 -14.089) 17.585 3.995 ( -3.467 -6.655 -5.044) 9.041 3.995 ( -3.467 6.655 -5.044) 9.041 4.319 ( 3.675 -3.105 1.684) 5.097 4.319 ( 3.675 3.105 1.684) 5.097 4.444 ( -0.379 -4.477 -1.232) 4.659 4.444 ( -0.379 4.477 -1.232) 4.659 4.769 ( 5.954 -2.152 2.184) 6.697 4.769 ( 5.954 2.152 2.184) 6.697 4.937 ( -5.936 -4.908 0.222) 7.705 4.937 ( -5.936 4.908 0.222) 7.705 5.016 ( -1.394 -3.369 -0.480) 3.678 5.016 ( -1.394 3.369 -0.480) 3.678 5.197 ( 2.344 -5.927 3.454) 7.249 5.197 ( 2.344 5.927 3.454) 7.249 5.344 ( -2.599 -3.323 1.559) 4.497 5.344 ( -2.599 3.323 1.559) 4.497 5.535 ( 5.347 -2.929 -2.931) 6.765 5.535 ( 5.347 2.929 -2.931) 6.765 5.656 ( 8.089 -6.456 1.383) 10.442 5.656 ( 8.089 6.456 1.383) 10.442 5.846 ( -3.997 -4.680 3.151) 6.914 5.846 ( -3.997 4.680 3.151) 6.914 6.117 ( -0.024 -3.220 -2.671) 4.183 6.117 ( -0.024 3.220 -2.671) 4.183 6.153 ( -2.456 -10.747 1.385) 11.111 6.153 ( -2.456 10.747 1.385) 11.111 6.377 ( -5.397 -8.003 -2.411) 9.949 6.377 ( -5.397 8.003 -2.411) 9.949 6.543 ( -2.364 -8.373 0.641) 8.724 6.543 ( -2.364 8.373 0.641) 8.724 6.848 ( -3.262 -2.754 -0.067) 4.269 6.848 ( -3.262 2.754 -0.067) 4.269 7.025 ( -0.425 -3.947 -2.560) 4.724 7.025 ( -0.425 3.947 -2.561) 4.724 7.060 ( 2.884 -5.928 0.169) 6.595 7.060 ( 2.884 5.928 0.169) 6.595 7.235 ( -2.352 -1.572 -0.615) 2.895 7.235 ( -2.352 1.572 -0.615) 2.895 7.313 ( -6.212 -4.749 6.402) 10.106 7.313 ( -6.212 4.749 6.402) 10.106 7.622 ( 4.927 -4.571 -0.909) 6.782 7.622 ( 4.927 4.571 -0.909) 6.782 7.656 ( -1.765 -3.422 1.333) 4.075 7.656 ( -1.765 3.422 1.333) 4.075 7.832 ( -6.461 -2.743 1.023) 7.094 7.832 ( -6.461 2.743 1.023) 7.094 8.202 ( 1.664 -1.758 0.963) 2.605 8.202 ( 1.664 1.758 0.963) 2.605 8.382 ( 5.368 -10.890 -7.820) 14.441 8.382 ( 5.368 10.890 -7.820) 14.441 8.735 ( -2.834 -3.665 0.811) 4.703 8.735 ( -2.834 3.665 0.811) 4.703 8.798 ( -5.314 -6.106 0.507) 8.110 8.798 ( -5.314 6.106 0.507) 8.110 9.081 ( -1.523 -1.261 1.827) 2.692 9.081 ( -1.523 1.261 1.827) 2.692 9.159 ( 1.302 -2.481 -1.610) 3.231 9.159 ( 1.302 2.481 -1.610) 3.231 9.481 ( 0.172 -3.828 -0.013) 3.832 9.481 ( 0.172 3.828 -0.013) 3.832 9.656 ( -0.328 -1.418 -2.103) 2.558 9.656 ( -0.328 1.418 -2.103) 2.558 9.891 ( 0.968 -3.481 2.072) 4.165 9.891 ( 0.968 3.481 2.072) 4.165 11.138 ( 2.331 -0.744 0.392) 2.478 11.138 ( 2.331 0.744 0.392) 2.478 11.387 ( 1.756 -3.608 1.245) 4.201 11.387 ( 1.756 3.608 1.245) 4.201 11.775 ( -8.447 -0.599 -0.870) 8.513 11.775 ( -8.447 0.599 -0.870) 8.513 11.960 ( -0.693 -2.310 1.937) 3.093 11.960 ( -0.693 2.310 1.937) 3.093 12.141 ( -3.337 -2.510 -0.805) 4.253 12.141 ( -3.337 2.510 -0.805) 4.253 12.315 ( -1.402 -1.166 1.141) 2.151 12.315 ( -1.402 1.166 1.141) 2.151 12.758 ( 0.918 -4.091 -2.148) 4.711 12.758 ( 0.918 4.091 -2.148) 4.711 12.885 ( 2.995 -1.368 -2.111) 3.912 12.885 ( 2.995 1.368 -2.111) 3.912 13.110 ( 0.444 -2.487 -0.502) 2.576 13.110 ( 0.444 2.487 -0.502) 2.576 13.374 ( 5.796 -2.182 2.525) 6.688 13.374 ( 5.796 2.182 2.525) 6.688 13.745 ( 3.557 -2.191 1.085) 4.316 13.745 ( 3.557 2.191 1.085) 4.316 13.868 ( -6.051 -1.631 -1.479) 6.440 13.868 ( -6.051 1.631 -1.479) 6.440 14.229 ( -0.572 -3.438 -0.364) 3.504 14.229 ( -0.572 3.438 -0.364) 3.504 14.812 ( 2.816 -5.106 -1.235) 5.960 14.812 ( 2.816 5.106 -1.235) 5.960 15.082 ( -4.368 -3.720 -3.081) 6.512 15.082 ( -4.368 3.720 -3.081) 6.512 15.280 ( 2.124 -4.127 2.736) 5.388 15.280 ( 2.124 4.127 2.736) 5.388 15.451 ( 7.954 -4.439 -3.365) 9.711 15.451 ( 7.954 4.439 -3.365) 9.711 15.735 ( 2.398 -3.787 -1.411) 4.699 15.735 ( 2.398 3.787 -1.411) 4.699 15.961 ( 3.642 -2.937 5.621) 7.313 15.961 ( 3.642 2.937 5.621) 7.313 16.271 ( 5.753 -5.455 3.391) 8.623 16.271 ( 5.753 5.455 3.391) 8.623 17.002 ( -1.475 -1.772 3.766) 4.416 17.002 ( -1.475 1.772 3.766) 4.416 17.208 ( 0.092 -2.953 -1.265) 3.214 17.208 ( 0.092 2.953 -1.265) 3.214 17.533 ( 2.643 -2.677 -1.435) 4.026 17.533 ( 2.643 2.677 -1.435) 4.026 17.560 ( 1.670 -2.206 -4.254) 5.075 17.560 ( 1.670 2.206 -4.254) 5.075 17.783 ( 4.166 -3.117 -3.268) 6.144 17.783 ( 4.166 3.117 -3.268) 6.144 18.138 ( -1.648 -3.105 0.854) 3.618 18.138 ( -1.648 3.105 0.854) 3.618 18.336 ( 2.137 -3.637 1.989) 4.664 18.336 ( 2.137 3.637 1.989) 4.664 18.439 ( 4.106 -3.256 1.132) 5.361 18.439 ( 4.106 3.256 1.132) 5.361 18.613 ( 0.885 -1.491 0.637) 1.847 18.613 ( 0.885 1.491 0.637) 1.847 19.168 ( 1.962 -2.071 -2.116) 3.552 19.168 ( 1.962 2.071 -2.116) 3.552 22.066 ( 1.181 -1.070 -0.674) 1.731 22.066 ( 1.181 1.070 -0.674) 1.731 22.098 ( 0.774 -0.114 0.435) 0.895 22.098 ( 0.774 0.114 0.435) 0.895 22.598 ( -0.513 -0.377 -0.544) 0.838 22.598 ( -0.513 0.377 -0.544) 0.838 22.695 ( 1.684 -1.810 1.191) 2.744 22.695 ( 1.684 1.810 1.191) 2.744 27.236 ( -0.685 -0.321 -0.458) 0.884 27.236 ( -0.685 0.321 -0.458) 0.884 27.424 ( -1.269 -0.640 0.642) 1.559 27.424 ( -1.269 0.640 0.642) 1.559 27.652 ( -0.267 -0.261 -1.109) 1.170 27.652 ( -0.267 0.261 -1.109) 1.170 27.767 ( -0.164 -0.218 1.656) 1.678 27.767 ( -0.164 0.218 1.656) 1.678 35.915 ( -2.687 -6.343 2.791) 7.433 35.915 ( -2.687 6.343 2.791) 7.433 36.039 ( -3.881 -6.807 2.664) 8.276 36.039 ( -3.881 6.807 2.664) 8.276 36.741 ( -2.635 -6.527 -2.442) 7.451 36.741 ( -2.635 6.527 -2.442) 7.451 37.225 ( 10.281 -9.634 -1.912) 14.219 37.225 ( 10.281 9.634 -1.912) 14.219 38.157 ( -5.839 -11.250 1.916) 12.819 38.157 ( -5.839 11.250 1.916) 12.819 38.368 ( -3.332 -8.624 -5.470) 10.742 38.368 ( -3.332 8.624 -5.470) 10.742 39.574 ( -11.270 -12.768 12.335) 21.028 39.574 ( -11.270 12.768 12.335) 21.028 40.252 ( 1.619 -19.131 -10.609) 21.935 40.252 ( 1.619 19.131 -10.609) 21.935 ======================= Grid point 148 (82/84) ======================= q-point: (-0.27 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -8.063 -5.716 6.088) 11.609 2.322 ( -8.063 5.716 6.088) 11.609 2.692 ( -8.188 -5.092 1.558) 9.767 2.692 ( -8.188 5.092 1.558) 9.767 2.873 ( -19.629 -2.684 11.193) 22.754 2.873 ( -19.629 2.684 11.193) 22.754 3.309 ( -10.095 -5.207 3.797) 11.977 3.309 ( -10.095 5.207 3.797) 11.977 3.567 ( -7.234 -7.313 -17.038) 19.903 3.567 ( -7.234 7.313 -17.038) 19.903 3.629 ( -0.446 -5.084 -3.064) 5.953 3.629 ( -0.446 5.084 -3.064) 5.953 3.944 ( 2.048 -6.018 -1.886) 6.631 3.944 ( 2.048 6.018 -1.886) 6.631 4.408 ( 5.172 -3.593 0.718) 6.338 4.408 ( 5.172 3.593 0.718) 6.338 4.488 ( 4.864 -5.133 -1.529) 7.234 4.488 ( 4.864 5.133 -1.529) 7.234 4.680 ( -19.122 -5.423 -0.994) 19.901 4.680 ( -19.122 5.423 -0.994) 19.901 4.851 ( 0.436 -2.995 2.395) 3.860 4.851 ( 0.436 2.995 2.395) 3.860 5.052 ( 2.694 -1.700 3.212) 4.523 5.052 ( 2.694 1.700 3.212) 4.523 5.223 ( 0.972 -9.768 3.577) 10.448 5.223 ( 0.972 9.768 3.577) 10.448 5.384 ( 4.558 -2.595 4.607) 6.981 5.384 ( 4.558 2.595 4.607) 6.981 5.580 ( 0.024 -0.810 0.535) 0.971 5.580 ( 0.024 0.810 0.535) 0.971 5.747 ( -0.529 -1.273 -3.800) 4.042 5.747 ( -0.529 1.273 -3.800) 4.042 5.815 ( -2.008 -1.023 2.977) 3.734 5.815 ( -2.008 1.023 2.977) 3.734 6.024 ( -3.403 -5.994 1.421) 7.037 6.024 ( -3.403 5.994 1.421) 7.037 6.222 ( -0.929 -4.417 0.796) 4.583 6.222 ( -0.929 4.417 0.796) 4.583 6.241 ( -4.867 -7.810 -3.252) 9.760 6.241 ( -4.867 7.810 -3.252) 9.760 6.426 ( -5.608 -8.452 -1.100) 10.203 6.426 ( -5.608 8.452 -1.100) 10.203 6.780 ( -3.127 -1.163 -3.550) 4.872 6.780 ( -3.127 1.163 -3.550) 4.872 6.930 ( -8.710 -5.612 7.937) 13.051 6.930 ( -8.710 5.612 7.937) 13.051 7.118 ( 3.432 -2.367 -3.402) 5.381 7.118 ( 3.432 2.367 -3.402) 5.381 7.197 ( -2.046 -1.933 -1.453) 3.167 7.197 ( -2.046 1.933 -1.453) 3.167 7.298 ( 0.229 -4.736 2.951) 5.585 7.298 ( 0.229 4.736 2.951) 5.585 7.596 ( -3.543 -3.823 3.230) 6.132 7.596 ( -3.543 3.823 3.230) 6.132 7.704 ( 4.136 -5.162 -4.478) 7.988 7.704 ( 4.136 5.162 -4.478) 7.988 7.767 ( 1.199 -6.452 -0.300) 6.570 7.767 ( 1.199 6.452 -0.300) 6.570 8.275 ( 4.620 -2.144 0.431) 5.112 8.275 ( 4.620 2.144 0.431) 5.112 8.450 ( 5.130 -9.909 -9.219) 14.474 8.450 ( 5.130 9.909 -9.219) 14.474 8.669 ( -5.694 -4.623 1.311) 7.451 8.669 ( -5.694 4.623 1.311) 7.451 8.733 ( -0.997 -3.366 3.537) 4.983 8.733 ( -0.997 3.366 3.537) 4.983 9.032 ( -4.205 -2.543 2.475) 5.502 9.032 ( -4.205 2.543 2.475) 5.502 9.178 ( 2.391 -2.577 -2.055) 4.072 9.178 ( 2.391 2.577 -2.055) 4.072 9.495 ( 1.235 -4.831 -0.625) 5.025 9.495 ( 1.235 4.831 -0.625) 5.025 9.661 ( 1.367 -2.415 -0.283) 2.789 9.661 ( 1.367 2.415 -0.283) 2.789 9.921 ( 1.515 -6.596 0.824) 6.818 9.921 ( 1.515 6.596 0.824) 6.818 11.190 ( 2.217 -1.506 1.327) 2.991 11.190 ( 2.217 1.506 1.327) 2.991 11.442 ( 0.949 -4.262 4.157) 6.028 11.442 ( 0.949 4.262 4.157) 6.028 11.587 ( -8.657 -0.408 -1.296) 8.763 11.587 ( -8.657 0.408 -1.296) 8.763 11.897 ( -5.897 -1.176 -3.719) 7.070 11.897 ( -5.897 1.176 -3.719) 7.070 12.126 ( 1.153 -5.820 3.045) 6.669 12.126 ( 1.153 5.820 3.045) 6.669 12.270 ( -2.810 -0.417 -1.093) 3.044 12.270 ( -2.810 0.417 -1.093) 3.044 12.776 ( 1.254 -3.316 -0.826) 3.640 12.776 ( 1.254 3.316 -0.826) 3.640 12.911 ( 0.376 -1.965 -1.042) 2.256 12.911 ( 0.376 1.965 -1.042) 2.256 13.118 ( 1.476 -4.003 -0.999) 4.381 13.118 ( 1.476 4.003 -0.999) 4.381 13.467 ( 0.107 -1.674 3.002) 3.439 13.467 ( 0.107 1.674 3.002) 3.439 13.768 ( 1.463 -0.376 -0.303) 1.540 13.768 ( 1.463 0.376 -0.303) 1.540 13.866 ( 6.108 -1.944 -2.250) 6.794 13.866 ( 6.108 1.944 -2.250) 6.794 14.237 ( 1.393 -2.874 0.830) 3.300 14.237 ( 1.393 2.874 0.830) 3.300 14.824 ( -1.628 -9.013 -0.649) 9.182 14.824 ( -1.628 9.013 -0.649) 9.182 14.979 ( -3.026 -3.572 -5.188) 6.988 14.979 ( -3.026 3.572 -5.188) 6.988 15.344 ( 1.982 -5.116 5.474) 7.751 15.344 ( 1.982 5.116 5.474) 7.751 15.556 ( 3.772 -5.602 -2.200) 7.103 15.556 ( 3.772 5.602 -2.200) 7.103 15.771 ( 3.418 -2.786 -4.852) 6.557 15.771 ( 3.418 2.786 -4.852) 6.557 16.085 ( 5.705 -1.029 8.160) 10.009 16.085 ( 5.705 1.029 8.160) 10.009 16.401 ( 5.427 -6.819 2.523) 9.072 16.401 ( 5.427 6.819 2.523) 9.072 16.987 ( -1.338 -3.721 0.157) 3.957 16.987 ( -1.338 3.721 0.157) 3.957 17.215 ( 1.601 -4.624 -1.388) 5.086 17.215 ( 1.601 4.624 -1.388) 5.086 17.550 ( 0.722 -1.510 -2.817) 3.277 17.550 ( 0.722 1.510 -2.817) 3.277 17.588 ( 2.892 -3.168 -3.020) 5.246 17.588 ( 2.892 3.168 -3.020) 5.246 17.862 ( 4.859 -4.590 -1.156) 6.783 17.862 ( 4.859 4.590 -1.156) 6.783 18.134 ( 1.805 -3.772 0.885) 4.274 18.134 ( 1.805 3.772 0.885) 4.274 18.407 ( 4.169 -0.961 2.485) 4.948 18.407 ( 4.169 0.961 2.485) 4.948 18.535 ( 5.180 -2.663 1.675) 6.060 18.535 ( 5.180 2.663 1.675) 6.060 18.635 ( 1.318 -1.650 0.474) 2.164 18.635 ( 1.318 1.650 0.474) 2.164 19.195 ( 2.288 -3.324 -2.646) 4.826 19.195 ( 2.288 3.324 -2.646) 4.826 22.083 ( 1.050 -0.297 -1.448) 1.813 22.083 ( 1.050 0.297 -1.448) 1.813 22.124 ( 1.769 -1.827 0.956) 2.717 22.124 ( 1.769 1.827 0.956) 2.717 22.591 ( -0.063 -0.698 0.118) 0.711 22.591 ( -0.063 0.698 0.118) 0.711 22.733 ( 1.522 -2.665 1.124) 3.268 22.733 ( 1.522 2.665 1.124) 3.268 27.220 ( -0.561 -0.573 -0.805) 1.136 27.220 ( -0.561 0.573 -0.805) 1.136 27.395 ( -2.352 -0.941 0.845) 2.671 27.395 ( -2.352 0.941 0.845) 2.671 27.636 ( -0.731 -0.332 -1.365) 1.584 27.636 ( -0.731 0.332 -1.365) 1.584 27.776 ( 0.022 -0.519 2.559) 2.611 27.776 ( 0.022 0.519 2.559) 2.611 35.847 ( -5.903 -4.622 2.814) 8.008 35.847 ( -5.903 4.622 2.814) 8.008 36.002 ( -1.499 -4.550 2.514) 5.410 36.002 ( -1.499 4.550 2.514) 5.410 36.708 ( 0.637 -5.963 -2.846) 6.638 36.708 ( 0.637 5.963 -2.846) 6.638 37.388 ( 7.919 -7.849 -1.427) 11.241 37.388 ( 7.919 7.849 -1.427) 11.241 38.032 ( -7.715 -11.938 -0.919) 14.243 38.032 ( -7.715 11.938 -0.919) 14.243 38.255 ( -5.927 -8.840 -3.816) 11.307 38.255 ( -5.927 8.840 -3.816) 11.307 39.451 ( -8.968 -14.540 14.411) 22.350 39.451 ( -8.968 14.540 14.411) 22.350 40.168 ( -4.154 -21.505 -14.518) 26.277 40.168 ( -4.154 21.505 -14.518) 26.277 ======================= Grid point 150 (83/84) ======================= q-point: (-0.18 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -13.554 -6.461 16.936) 22.634 2.180 ( -13.554 6.461 16.936) 22.634 2.500 ( -13.761 -7.073 4.751) 16.186 2.500 ( -13.761 7.073 4.751) 16.186 2.628 ( -11.384 -9.448 4.578) 15.486 2.628 ( -11.384 9.448 4.578) 15.486 3.072 ( -12.904 -7.750 -4.657) 15.757 3.072 ( -12.904 7.750 -4.657) 15.757 3.352 ( -3.959 -8.076 -20.850) 22.707 3.352 ( -3.959 8.076 -20.850) 22.707 3.565 ( -6.193 -8.754 -1.524) 10.831 3.565 ( -6.193 8.754 -1.524) 10.831 4.048 ( 6.513 -1.229 1.766) 6.859 4.048 ( 6.513 1.229 1.766) 6.859 4.269 ( -17.267 -9.239 5.204) 20.263 4.269 ( -17.267 9.239 5.204) 20.263 4.545 ( 6.882 -2.346 -3.388) 8.021 4.545 ( 6.882 2.346 -3.388) 8.021 4.616 ( 5.145 -4.923 2.096) 7.423 4.616 ( 5.145 4.923 2.096) 7.423 4.828 ( -2.543 -3.143 0.863) 4.134 4.828 ( -2.543 3.143 0.863) 4.134 5.085 ( -2.038 -4.095 4.055) 6.113 5.085 ( -2.038 4.095 4.055) 6.113 5.290 ( 2.337 -9.348 1.699) 9.784 5.290 ( 2.337 9.348 1.699) 9.784 5.479 ( 1.575 -8.314 -0.698) 8.491 5.479 ( 1.575 8.314 -0.698) 8.491 5.542 ( -6.940 -3.851 3.688) 8.752 5.542 ( -6.940 3.851 3.688) 8.752 5.613 ( -5.691 -2.386 -1.433) 6.335 5.613 ( -5.691 2.386 -1.433) 6.335 5.770 ( -3.367 -6.724 2.412) 7.897 5.770 ( -3.367 6.724 2.412) 7.897 5.966 ( -8.097 -5.334 0.796) 9.729 5.966 ( -8.097 5.334 0.796) 9.729 6.111 ( 2.353 -3.586 -2.443) 4.936 6.111 ( 2.353 3.586 -2.443) 4.936 6.244 ( 1.983 -4.072 2.793) 5.321 6.244 ( 1.983 4.072 2.793) 5.321 6.420 ( -0.321 -2.401 3.148) 3.972 6.420 ( -0.321 2.401 3.148) 3.972 6.696 ( -0.167 -5.400 -5.301) 7.569 6.696 ( -0.167 5.400 -5.301) 7.569 6.867 ( -3.139 -3.041 5.819) 7.278 6.867 ( -3.139 3.041 5.819) 7.278 7.087 ( -4.681 -7.065 -0.340) 8.482 7.087 ( -4.681 7.065 -0.340) 8.482 7.178 ( -0.128 -5.601 0.127) 5.604 7.178 ( -0.128 5.601 0.127) 5.604 7.342 ( 4.483 -3.049 -1.658) 5.670 7.342 ( 4.483 3.049 -1.658) 5.670 7.560 ( -1.791 -3.591 -1.931) 4.453 7.560 ( -1.791 3.591 -1.931) 4.453 7.746 ( 3.021 -4.387 -2.742) 5.991 7.746 ( 3.021 4.387 -2.742) 5.991 7.830 ( 3.378 -4.844 -0.940) 5.980 7.830 ( 3.378 4.844 -0.940) 5.980 8.332 ( 0.612 -2.065 -1.292) 2.511 8.332 ( 0.612 2.065 -1.292) 2.511 8.466 ( 2.089 -0.904 -4.747) 5.264 8.466 ( 2.089 0.904 -4.747) 5.264 8.577 ( -3.367 -7.395 0.886) 8.173 8.577 ( -3.367 7.395 0.886) 8.173 8.783 ( 2.785 -3.257 3.209) 5.354 8.783 ( 2.785 3.257 3.209) 5.354 8.981 ( -2.195 -1.930 3.156) 4.302 8.981 ( -2.195 1.930 3.156) 4.302 9.225 ( 3.338 -2.341 -1.436) 4.323 9.225 ( 3.338 2.341 -1.436) 4.323 9.519 ( 1.301 -5.669 0.059) 5.816 9.519 ( 1.301 5.669 0.059) 5.816 9.694 ( 2.174 -3.373 0.098) 4.014 9.694 ( 2.174 3.373 0.098) 4.014 9.952 ( 1.599 -8.113 -0.801) 8.308 9.952 ( 1.599 8.113 -0.801) 8.308 11.148 ( -9.780 -3.283 -0.289) 10.320 11.148 ( -9.780 3.283 -0.289) 10.320 11.395 ( -1.552 -2.934 3.041) 4.502 11.395 ( -1.552 2.934 3.041) 4.502 11.595 ( 4.425 -2.825 4.100) 6.661 11.595 ( 4.425 2.825 4.100) 6.661 11.757 ( -4.725 -2.645 -5.210) 7.514 11.757 ( -4.725 2.645 -5.210) 7.514 12.173 ( 0.879 -4.212 2.929) 5.206 12.173 ( 0.879 4.212 2.929) 5.206 12.214 ( -1.680 -1.978 -2.839) 3.846 12.214 ( -1.680 1.978 -2.839) 3.846 12.775 ( -0.983 -2.775 -1.321) 3.227 12.775 ( -0.983 2.775 -1.321) 3.227 12.896 ( -1.057 -4.095 -0.045) 4.230 12.896 ( -1.057 4.095 -0.045) 4.230 13.155 ( 1.765 -3.547 0.840) 4.049 13.155 ( 1.765 3.547 0.840) 4.049 13.420 ( -3.642 -1.908 1.047) 4.243 13.420 ( -3.642 1.908 1.047) 4.243 13.848 ( 5.279 -3.493 -0.364) 6.341 13.848 ( 5.279 3.493 -0.364) 6.341 13.986 ( 7.860 -2.092 -3.781) 8.969 13.986 ( 7.860 2.092 -3.781) 8.969 14.284 ( 2.199 -3.172 2.268) 4.477 14.284 ( 2.199 3.172 2.268) 4.477 14.718 ( -7.351 -9.345 -4.102) 12.578 14.718 ( -7.351 9.345 -4.102) 12.578 14.964 ( 1.486 -4.763 0.999) 5.088 14.964 ( 1.486 4.763 0.999) 5.088 15.408 ( 1.824 -7.138 6.501) 9.826 15.408 ( 1.824 7.138 6.501) 9.826 15.555 ( -1.245 -8.551 -5.989) 10.514 15.555 ( -1.245 8.551 -5.989) 10.514 15.798 ( 2.367 -5.145 -4.806) 7.427 15.798 ( 2.367 5.145 -4.806) 7.427 16.228 ( 2.265 -1.563 10.096) 10.464 16.228 ( 2.265 1.563 10.096) 10.464 16.496 ( 5.941 -6.324 -0.468) 8.690 16.496 ( 5.941 6.324 -0.468) 8.690 16.943 ( -2.231 -5.091 -4.312) 7.035 16.943 ( -2.231 5.091 -4.312) 7.035 17.255 ( 3.324 -5.955 -2.128) 7.144 17.255 ( 3.324 5.955 -2.128) 7.144 17.534 ( -0.960 -2.115 -1.734) 2.898 17.534 ( -0.960 2.115 -1.734) 2.898 17.636 ( 3.669 -2.124 -1.109) 4.382 17.636 ( 3.669 2.124 -1.109) 4.382 17.904 ( -0.665 -4.524 0.709) 4.628 17.904 ( -0.665 4.524 0.709) 4.628 18.241 ( 8.122 -5.363 2.688) 10.098 18.241 ( 8.122 5.363 2.688) 10.098 18.504 ( 3.793 -1.851 2.528) 4.920 18.504 ( 3.793 1.851 2.528) 4.920 18.617 ( 2.096 -4.886 2.877) 6.046 18.617 ( 2.096 4.886 2.877) 6.046 18.703 ( 7.362 -1.202 -1.744) 7.661 18.703 ( 7.362 1.202 -1.744) 7.661 19.222 ( 2.007 -3.408 -2.892) 4.899 19.222 ( 2.007 3.408 -2.892) 4.899 22.086 ( 0.211 -0.192 -1.709) 1.732 22.086 ( 0.211 0.192 -1.709) 1.732 22.176 ( 3.198 -2.581 1.157) 4.269 22.176 ( 3.198 2.581 1.157) 4.269 22.599 ( 0.737 -0.957 1.032) 1.588 22.599 ( 0.737 0.957 1.032) 1.588 22.758 ( 0.492 -3.117 0.845) 3.267 22.758 ( 0.492 3.117 0.845) 3.267 27.211 ( 0.060 -0.848 -0.781) 1.154 27.211 ( 0.060 0.848 -0.781) 1.154 27.346 ( -3.300 -0.994 0.784) 3.534 27.346 ( -3.300 0.994 0.784) 3.534 27.612 ( -1.107 -0.339 -1.238) 1.695 27.612 ( -1.107 0.339 -1.238) 1.695 27.795 ( 0.349 -0.670 3.024) 3.117 27.795 ( 0.349 0.670 3.024) 3.117 35.749 ( -5.699 -3.986 2.579) 7.417 35.749 ( -5.699 3.986 2.579) 7.417 35.998 ( -0.482 -5.167 2.052) 5.581 35.998 ( -0.482 5.167 2.052) 5.581 36.735 ( 3.739 -5.311 -2.208) 6.860 36.735 ( 3.739 5.311 -2.208) 6.860 37.497 ( 4.616 -7.098 -0.652) 8.492 37.497 ( 4.616 7.098 -0.652) 8.492 37.870 ( -7.645 -11.160 -5.119) 14.463 37.870 ( -7.645 11.160 -5.119) 14.463 38.126 ( -6.940 -9.389 1.216) 11.738 38.126 ( -6.940 9.389 1.216) 11.738 39.380 ( -7.606 -16.683 8.992) 20.421 39.380 ( -7.606 16.683 8.992) 20.421 39.954 ( -8.891 -16.711 -14.644) 23.933 39.954 ( -8.891 16.711 -14.644) 23.933 ======================= Grid point 152 (84/84) ======================= q-point: (-0.09 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( -15.064 -13.703 24.430) 31.804 2.016 ( -15.064 13.703 24.430) 31.804 2.258 ( -16.239 -13.681 12.816) 24.801 2.258 ( -16.239 13.681 12.816) 24.801 2.489 ( -0.052 -7.680 -13.390) 15.436 2.489 ( -0.052 7.680 -13.390) 15.436 2.868 ( -4.795 -9.734 -6.168) 12.482 2.868 ( -4.795 9.734 -6.168) 12.482 3.171 ( -5.516 -8.936 -18.945) 21.661 3.171 ( -5.516 8.936 -18.945) 21.661 3.465 ( -0.875 -4.139 -1.673) 4.550 3.465 ( -0.875 4.139 -1.673) 4.550 4.048 ( -7.161 -11.981 14.614) 20.208 4.048 ( -7.161 11.981 14.614) 20.208 4.205 ( 3.188 -2.545 1.097) 4.225 4.205 ( 3.188 2.545 1.097) 4.225 4.591 ( -4.735 -4.072 5.945) 8.622 4.591 ( -4.735 4.072 5.945) 8.622 4.684 ( 6.999 -8.581 -7.514) 13.382 4.684 ( 6.999 8.581 -7.514) 13.382 4.809 ( -1.327 -6.573 -1.234) 6.818 4.809 ( -1.327 6.573 -1.234) 6.818 5.041 ( -3.003 -9.049 1.169) 9.606 5.041 ( -3.003 9.049 1.169) 9.606 5.157 ( -14.542 -9.879 -4.885) 18.246 5.157 ( -14.542 9.879 -4.885) 18.246 5.421 ( 2.154 -11.987 -2.712) 12.478 5.421 ( 2.154 11.987 -2.712) 12.478 5.484 ( -7.196 -5.101 4.601) 9.949 5.484 ( -7.196 5.101 4.601) 9.949 5.598 ( -0.669 -5.036 4.501) 6.787 5.598 ( -0.669 5.036 4.501) 6.787 5.698 ( -0.476 -2.047 0.554) 2.173 5.698 ( -0.476 2.047 0.554) 2.173 5.994 ( 8.333 -5.907 0.745) 10.242 5.994 ( 8.333 5.907 0.745) 10.242 6.129 ( -1.683 -1.548 -0.308) 2.308 6.129 ( -1.683 1.548 -0.308) 2.308 6.310 ( 3.829 -4.017 8.337) 10.016 6.310 ( 3.829 4.017 8.337) 10.016 6.499 ( 6.850 -3.843 2.579) 8.267 6.499 ( 6.850 3.843 2.579) 8.267 6.739 ( 5.400 -5.069 -3.049) 8.010 6.739 ( 5.400 5.069 -3.049) 8.010 6.821 ( -4.192 -8.517 1.403) 9.596 6.821 ( -4.192 8.517 1.403) 9.596 7.004 ( -3.768 -5.676 1.303) 6.936 7.004 ( -3.768 5.676 1.303) 6.936 7.152 ( -2.577 -7.879 -2.239) 8.587 7.152 ( -2.577 7.879 -2.239) 8.587 7.418 ( 3.068 -6.824 -1.626) 7.656 7.418 ( 3.068 6.824 -1.626) 7.656 7.507 ( -1.015 -4.354 -3.853) 5.902 7.507 ( -1.015 4.354 -3.853) 5.902 7.788 ( 1.584 -2.176 0.195) 2.699 7.788 ( 1.584 2.176 0.195) 2.699 7.825 ( -1.771 -3.322 -4.596) 5.941 7.825 ( -1.771 3.322 -4.596) 5.941 8.297 ( -1.926 -6.351 -3.425) 7.468 8.297 ( -1.926 6.351 -3.425) 7.468 8.486 ( -0.941 -5.076 5.865) 7.813 8.486 ( -0.941 5.076 5.865) 7.813 8.581 ( 3.765 -4.522 -2.878) 6.550 8.581 ( 3.765 4.522 -2.878) 6.550 8.830 ( 0.728 -1.813 2.034) 2.820 8.830 ( 0.728 1.813 2.034) 2.820 8.991 ( 0.984 -1.341 3.012) 3.440 8.991 ( 0.984 1.341 3.012) 3.440 9.271 ( 1.811 -2.752 -0.691) 3.367 9.271 ( 1.811 2.752 -0.691) 3.367 9.531 ( -0.265 -3.840 0.784) 3.928 9.531 ( -0.265 3.840 0.784) 3.928 9.748 ( 3.634 -1.390 -0.536) 3.927 9.748 ( 3.634 1.390 -0.536) 3.927 9.965 ( 0.311 -7.343 -1.716) 7.547 9.965 ( 0.311 7.343 -1.716) 7.547 10.919 ( -11.322 -2.805 -1.284) 11.735 10.919 ( -11.322 2.805 -1.284) 11.735 11.399 ( -1.678 -2.763 3.063) 4.454 11.399 ( -1.678 2.763 3.063) 4.454 11.661 ( 1.575 -0.756 -0.052) 1.747 11.661 ( 1.575 0.756 -0.052) 1.747 11.766 ( 5.990 -2.527 2.864) 7.104 11.766 ( 5.990 2.527 2.864) 7.104 12.148 ( -1.766 -0.271 -2.883) 3.392 12.148 ( -1.766 0.271 -2.883) 3.392 12.194 ( -1.734 -1.418 -0.324) 2.263 12.194 ( -1.734 1.418 -0.324) 2.263 12.746 ( -0.625 -2.548 -1.340) 2.946 12.746 ( -0.625 2.548 -1.340) 2.946 12.874 ( -1.307 -6.030 -0.379) 6.182 12.874 ( -1.307 6.030 -0.379) 6.182 13.163 ( -1.452 -3.969 1.684) 4.549 13.163 ( -1.452 3.969 1.684) 4.549 13.408 ( 1.577 -3.708 1.573) 4.326 13.408 ( 1.577 3.708 1.573) 4.326 13.938 ( 4.495 -4.866 0.472) 6.641 13.938 ( 4.495 4.866 0.472) 6.641 14.094 ( 5.457 -1.418 -3.116) 6.442 14.094 ( 5.457 1.418 -3.116) 6.442 14.301 ( -2.120 -4.287 -0.591) 4.819 14.301 ( -2.120 4.287 -0.591) 4.819 14.571 ( -4.919 -3.603 -3.440) 7.001 14.571 ( -4.919 3.603 -3.440) 7.001 14.975 ( -2.540 -5.539 3.204) 6.885 14.975 ( -2.540 5.539 3.204) 6.885 15.419 ( -4.710 -9.529 -1.106) 10.687 15.419 ( -4.710 9.529 -1.106) 10.687 15.545 ( 6.737 -3.686 -5.917) 9.694 15.545 ( 6.737 3.686 -5.917) 9.694 15.837 ( 3.986 -3.520 0.961) 5.404 15.837 ( 3.986 3.520 0.961) 5.404 16.217 ( -6.037 -3.277 2.647) 7.362 16.217 ( -6.037 3.277 2.647) 7.362 16.647 ( 7.021 -5.294 4.622) 9.934 16.647 ( 7.021 5.294 4.622) 9.934 16.889 ( 0.614 -2.350 -4.902) 5.471 16.889 ( 0.614 2.350 -4.902) 5.471 17.274 ( -0.721 -5.144 -4.825) 7.089 17.274 ( -0.721 5.144 -4.825) 7.089 17.518 ( 0.276 -3.215 0.378) 3.249 17.518 ( 0.276 3.215 0.378) 3.249 17.709 ( 4.199 -0.280 0.418) 4.229 17.709 ( 4.199 0.280 0.418) 4.229 17.866 ( -2.873 -4.558 -0.055) 5.388 17.866 ( -2.873 4.558 -0.055) 5.388 18.389 ( 2.922 -6.608 7.674) 10.540 18.389 ( 2.922 6.608 7.674) 10.540 18.555 ( 2.912 -2.027 -1.851) 4.001 18.555 ( 2.912 2.027 -1.851) 4.001 18.674 ( 2.330 -4.914 1.336) 5.601 18.674 ( 2.330 4.914 1.336) 5.601 18.861 ( 8.954 -0.467 -0.338) 8.972 18.861 ( 8.954 0.467 -0.338) 8.972 19.229 ( -0.129 -2.283 -2.387) 3.306 19.229 ( -0.129 2.283 -2.387) 3.306 22.077 ( -0.285 -0.096 -1.285) 1.320 22.077 ( -0.285 0.096 -1.285) 1.320 22.247 ( 3.502 -1.110 0.781) 3.756 22.247 ( 3.502 1.110 0.781) 3.756 22.631 ( 1.920 -0.652 1.683) 2.635 22.631 ( 1.920 0.652 1.683) 2.635 22.756 ( -0.996 -2.795 0.253) 2.978 22.756 ( -0.996 2.795 0.253) 2.978 27.217 ( 1.045 -0.823 -0.481) 1.414 27.217 ( 1.045 0.823 -0.481) 1.414 27.287 ( -3.254 -0.770 0.607) 3.398 27.287 ( -3.254 0.770 0.607) 3.398 27.587 ( -0.910 -0.261 -0.807) 1.244 27.587 ( -0.910 0.261 -0.807) 1.244 27.819 ( 0.555 -0.525 2.649) 2.757 27.819 ( 0.555 0.525 2.649) 2.757 35.676 ( -3.280 -1.909 2.152) 4.363 35.676 ( -3.280 1.909 2.152) 4.363 36.002 ( -0.045 -4.673 1.141) 4.810 36.002 ( -0.045 4.673 1.141) 4.810 36.811 ( 4.153 -3.643 0.219) 5.529 36.811 ( 4.153 3.643 0.219) 5.529 37.556 ( 0.331 -8.591 1.713) 8.767 37.556 ( 0.331 8.591 1.713) 8.767 37.750 ( 1.575 -7.082 -8.422) 11.116 37.750 ( 1.575 7.082 -8.422) 11.116 38.003 ( -8.966 -9.773 5.657) 14.419 38.003 ( -8.966 9.773 5.657) 14.419 39.128 ( -19.308 -14.170 -9.025) 25.594 39.128 ( -19.308 14.170 -9.025) 25.594 39.826 ( 1.046 -4.004 -1.597) 4.436 39.826 ( 1.046 4.004 -1.597) 4.436 =================== 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 3/36960 10.0 1518.219 857.682 1242.677 0.000 -21.558 0.000 3/36960 20.0 208.348 148.692 177.690 0.000 -40.273 0.000 3/36960 30.0 55.531 39.113 45.504 0.000 -10.850 0.000 3/36960 40.0 24.689 17.430 20.065 0.000 -4.718 0.000 3/36960 50.0 14.414 10.209 11.675 0.000 -2.679 0.000 3/36960 60.0 9.805 6.965 7.926 0.000 -1.777 0.000 3/36960 70.0 7.321 5.214 5.910 0.000 -1.300 0.000 3/36960 80.0 5.806 4.146 4.685 0.000 -1.015 0.000 3/36960 90.0 4.800 3.435 3.872 0.000 -0.830 0.000 3/36960 100.0 4.088 2.930 3.298 0.000 -0.700 0.000 3/36960 110.0 3.559 2.555 2.871 0.000 -0.605 0.000 3/36960 120.0 3.152 2.265 2.543 0.000 -0.533 0.000 3/36960 130.0 2.829 2.034 2.283 0.000 -0.476 0.000 3/36960 140.0 2.567 1.847 2.072 0.000 -0.430 0.000 3/36960 150.0 2.351 1.691 1.897 0.000 -0.392 0.000 3/36960 160.0 2.169 1.560 1.751 0.000 -0.360 0.000 3/36960 170.0 2.014 1.448 1.626 0.000 -0.333 0.000 3/36960 180.0 1.881 1.352 1.518 0.000 -0.310 0.000 3/36960 190.0 1.765 1.268 1.425 0.000 -0.290 0.000 3/36960 200.0 1.663 1.194 1.343 0.000 -0.272 0.000 3/36960 210.0 1.572 1.129 1.270 0.000 -0.257 0.000 3/36960 220.0 1.492 1.071 1.205 0.000 -0.243 0.000 3/36960 230.0 1.420 1.018 1.147 0.000 -0.230 0.000 3/36960 240.0 1.355 0.971 1.095 0.000 -0.219 0.000 3/36960 250.0 1.296 0.929 1.047 0.000 -0.209 0.000 3/36960 260.0 1.243 0.890 1.004 0.000 -0.200 0.000 3/36960 270.0 1.194 0.855 0.965 0.000 -0.191 0.000 3/36960 280.0 1.149 0.822 0.929 0.000 -0.183 0.000 3/36960 290.0 1.107 0.793 0.895 0.000 -0.176 0.000 3/36960 300.0 1.069 0.765 0.864 0.000 -0.170 0.000 3/36960 310.0 1.034 0.740 0.836 0.000 -0.164 0.000 3/36960 320.0 1.001 0.717 0.809 0.000 -0.158 0.000 3/36960 330.0 0.970 0.695 0.785 0.000 -0.153 0.000 3/36960 340.0 0.942 0.674 0.761 0.000 -0.148 0.000 3/36960 350.0 0.915 0.655 0.740 0.000 -0.143 0.000 3/36960 360.0 0.890 0.638 0.720 0.000 -0.139 0.000 3/36960 370.0 0.867 0.621 0.700 0.000 -0.135 0.000 3/36960 380.0 0.844 0.605 0.683 0.000 -0.131 0.000 3/36960 390.0 0.824 0.591 0.666 0.000 -0.127 0.000 3/36960 400.0 0.804 0.577 0.650 0.000 -0.124 0.000 3/36960 410.0 0.785 0.564 0.634 0.000 -0.120 0.000 3/36960 420.0 0.768 0.551 0.620 0.000 -0.117 0.000 3/36960 430.0 0.751 0.539 0.606 0.000 -0.114 0.000 3/36960 440.0 0.735 0.528 0.594 0.000 -0.112 0.000 3/36960 450.0 0.720 0.518 0.581 0.000 -0.109 0.000 3/36960 460.0 0.705 0.508 0.569 0.000 -0.106 0.000 3/36960 470.0 0.691 0.498 0.558 0.000 -0.104 0.000 3/36960 480.0 0.678 0.489 0.547 0.000 -0.102 0.000 3/36960 490.0 0.665 0.480 0.537 0.000 -0.099 0.000 3/36960 500.0 0.653 0.472 0.527 0.000 -0.097 0.000 3/36960 510.0 0.642 0.464 0.518 0.000 -0.095 0.000 3/36960 520.0 0.631 0.456 0.509 0.000 -0.093 0.000 3/36960 530.0 0.620 0.449 0.500 0.000 -0.091 0.000 3/36960 540.0 0.610 0.441 0.492 0.000 -0.090 0.000 3/36960 550.0 0.600 0.435 0.484 0.000 -0.088 0.000 3/36960 560.0 0.590 0.428 0.476 0.000 -0.086 0.000 3/36960 570.0 0.581 0.422 0.468 0.000 -0.085 0.000 3/36960 580.0 0.572 0.416 0.461 0.000 -0.083 0.000 3/36960 590.0 0.564 0.410 0.454 0.000 -0.081 0.000 3/36960 600.0 0.556 0.404 0.447 0.000 -0.080 0.000 3/36960 610.0 0.548 0.398 0.441 0.000 -0.079 0.000 3/36960 620.0 0.540 0.393 0.435 0.000 -0.077 0.000 3/36960 630.0 0.532 0.388 0.428 0.000 -0.076 0.000 3/36960 640.0 0.525 0.383 0.422 0.000 -0.075 0.000 3/36960 650.0 0.518 0.378 0.417 0.000 -0.073 0.000 3/36960 660.0 0.511 0.373 0.411 0.000 -0.072 0.000 3/36960 670.0 0.505 0.369 0.406 0.000 -0.071 0.000 3/36960 680.0 0.498 0.364 0.400 0.000 -0.070 0.000 3/36960 690.0 0.492 0.360 0.395 0.000 -0.069 0.000 3/36960 700.0 0.486 0.356 0.390 0.000 -0.068 0.000 3/36960 710.0 0.480 0.352 0.386 0.000 -0.067 0.000 3/36960 720.0 0.474 0.348 0.381 0.000 -0.066 0.000 3/36960 730.0 0.469 0.344 0.376 0.000 -0.065 0.000 3/36960 740.0 0.463 0.340 0.372 0.000 -0.064 0.000 3/36960 750.0 0.458 0.337 0.367 0.000 -0.063 0.000 3/36960 760.0 0.453 0.333 0.363 0.000 -0.062 0.000 3/36960 770.0 0.448 0.330 0.359 0.000 -0.061 0.000 3/36960 780.0 0.443 0.326 0.355 0.000 -0.060 0.000 3/36960 790.0 0.438 0.323 0.351 0.000 -0.060 0.000 3/36960 800.0 0.433 0.320 0.347 0.000 -0.059 0.000 3/36960 810.0 0.429 0.316 0.344 0.000 -0.058 0.000 3/36960 820.0 0.424 0.313 0.340 0.000 -0.057 0.000 3/36960 830.0 0.420 0.310 0.336 0.000 -0.057 0.000 3/36960 840.0 0.416 0.307 0.333 0.000 -0.056 0.000 3/36960 850.0 0.412 0.304 0.329 0.000 -0.055 0.000 3/36960 860.0 0.407 0.302 0.326 0.000 -0.055 0.000 3/36960 870.0 0.404 0.299 0.323 0.000 -0.054 0.000 3/36960 880.0 0.400 0.296 0.320 0.000 -0.053 0.000 3/36960 890.0 0.396 0.293 0.316 0.000 -0.053 0.000 3/36960 900.0 0.392 0.291 0.313 0.000 -0.052 0.000 3/36960 910.0 0.388 0.288 0.310 0.000 -0.051 0.000 3/36960 920.0 0.385 0.286 0.307 0.000 -0.051 0.000 3/36960 930.0 0.381 0.283 0.305 0.000 -0.050 0.000 3/36960 940.0 0.378 0.281 0.302 0.000 -0.050 0.000 3/36960 950.0 0.374 0.279 0.299 0.000 -0.049 0.000 3/36960 960.0 0.371 0.276 0.296 0.000 -0.049 0.000 3/36960 970.0 0.368 0.274 0.294 0.000 -0.048 0.000 3/36960 980.0 0.365 0.272 0.291 0.000 -0.048 0.000 3/36960 990.0 0.362 0.269 0.288 0.000 -0.047 0.000 3/36960 1000.0 0.359 0.267 0.286 0.000 -0.047 0.000 3/36960 Thermal conductivity related properties were written into "kappa-m1145.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:37:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|