----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 22:17:34]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.714756920182055 0.000000000000000 0.000000000000000 b 0.000000000000000 7.642627400000002 0.000000000000000 c -4.215709977193714 0.000000000000000 7.016484921885445 Atomic positions (fractional): *1 Cd 0.79307312482489 0.26434119565682 0.24199834083175 112.411 2 Cd 0.20692687517511 0.76434119565682 0.25800165916825 112.411 3 Cd 0.20692687517511 0.73565880434318 0.75800165916825 112.411 4 Cd 0.79307312482489 0.23565880434318 0.74199834083175 112.411 *5 H 0.79981507324162 0.51546733229120 0.98294314260020 1.008 6 H 0.20018492675838 0.01546733229120 0.51705685739980 1.008 7 H 0.20018492675838 0.48453266770880 0.01705685739980 1.008 8 H 0.79981507324162 0.98453266770880 0.48294314260020 1.008 *9 H 0.58054794348057 0.42764266981737 0.87976274848849 1.008 10 H 0.41945205651943 0.92764266981737 0.62023725151151 1.008 11 H 0.41945205651943 0.57235733018263 0.12023725151151 1.008 12 H 0.58054794348057 0.07235733018263 0.37976274848849 1.008 *13 Se 0.73517150548628 0.88231592396165 0.98133108571777 78.960 14 Se 0.26482849451372 0.38231592396165 0.51866891428223 78.960 15 Se 0.26482849451372 0.11768407603835 0.01866891428223 78.960 16 Se 0.73517150548628 0.61768407603835 0.48133108571777 78.960 *17 O 0.88859432742287 0.01321811546876 0.16139542546098 15.999 18 O 0.11140567257713 0.51321811546876 0.33860457453902 15.999 19 O 0.11140567257713 0.98678188453124 0.83860457453902 15.999 20 O 0.88859432742287 0.48678188453124 0.66139542546098 15.999 *21 O 0.65050397720179 0.98975460480819 0.77474556685902 15.999 22 O 0.34949602279821 0.48975460480819 0.72525443314098 15.999 23 O 0.34949602279821 0.01024539519181 0.22525443314098 15.999 24 O 0.65050397720179 0.51024539519181 0.27474556685902 15.999 *25 O 0.54043700530267 0.80569413851017 0.99016139232988 15.999 26 O 0.45956299469733 0.30569413851017 0.50983860767012 15.999 27 O 0.45956299469733 0.19430586148983 0.00983860767012 15.999 28 O 0.54043700530267 0.69430586148983 0.49016139232988 15.999 *29 O 0.88784638094009 0.71718504519913 0.99881091122052 15.999 30 O 0.11215361905991 0.21718504519913 0.50118908877948 15.999 31 O 0.11215361905991 0.28281495480087 0.00118908877948 15.999 32 O 0.88784638094009 0.78281495480087 0.49881091122052 15.999 *33 O 0.72997721296717 0.39777560476807 0.95790539330813 15.999 34 O 0.27002278703283 0.89777560476807 0.54209460669187 15.999 35 O 0.27002278703283 0.60222439523193 0.04209460669187 15.999 36 O 0.72997721296717 0.10222439523193 0.45790539330813 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.714756920182055 0.000000000000000 0.000000000000000 b 0.000000000000000 7.642627400000002 0.000000000000000 c -4.215709977193714 0.000000000000000 7.016484921885445 Atomic positions (fractional): *1 Cd 0.79307312482489 0.26434119565682 0.24199834083175 112.411 > 1 2 Cd 0.20692687517511 0.76434119565682 0.25800165916825 112.411 > 2 3 Cd 0.20692687517511 0.73565880434318 0.75800165916825 112.411 > 3 4 Cd 0.79307312482489 0.23565880434318 0.74199834083175 112.411 > 4 *5 H 0.79981507324162 0.51546733229120 0.98294314260020 1.008 > 5 6 H 0.20018492675838 0.01546733229120 0.51705685739980 1.008 > 6 7 H 0.20018492675838 0.48453266770880 0.01705685739980 1.008 > 7 8 H 0.79981507324162 0.98453266770880 0.48294314260020 1.008 > 8 *9 H 0.58054794348057 0.42764266981737 0.87976274848849 1.008 > 9 10 H 0.41945205651943 0.92764266981737 0.62023725151151 1.008 > 10 11 H 0.41945205651943 0.57235733018263 0.12023725151151 1.008 > 11 12 H 0.58054794348057 0.07235733018263 0.37976274848849 1.008 > 12 *13 Se 0.73517150548628 0.88231592396165 0.98133108571777 78.960 > 13 14 Se 0.26482849451372 0.38231592396165 0.51866891428223 78.960 > 14 15 Se 0.26482849451372 0.11768407603835 0.01866891428223 78.960 > 15 16 Se 0.73517150548628 0.61768407603835 0.48133108571777 78.960 > 16 *17 O 0.88859432742287 0.01321811546876 0.16139542546098 15.999 > 17 18 O 0.11140567257713 0.51321811546876 0.33860457453902 15.999 > 18 19 O 0.11140567257713 0.98678188453124 0.83860457453902 15.999 > 19 20 O 0.88859432742287 0.48678188453124 0.66139542546098 15.999 > 20 *21 O 0.65050397720179 0.98975460480819 0.77474556685902 15.999 > 21 22 O 0.34949602279821 0.48975460480819 0.72525443314098 15.999 > 22 23 O 0.34949602279821 0.01024539519181 0.22525443314098 15.999 > 23 24 O 0.65050397720179 0.51024539519181 0.27474556685902 15.999 > 24 *25 O 0.54043700530267 0.80569413851017 0.99016139232988 15.999 > 25 26 O 0.45956299469733 0.30569413851017 0.50983860767012 15.999 > 26 27 O 0.45956299469733 0.19430586148983 0.00983860767012 15.999 > 27 28 O 0.54043700530267 0.69430586148983 0.49016139232988 15.999 > 28 *29 O 0.88784638094009 0.71718504519913 0.99881091122052 15.999 > 29 30 O 0.11215361905991 0.21718504519913 0.50118908877948 15.999 > 30 31 O 0.11215361905991 0.28281495480087 0.00118908877948 15.999 > 31 32 O 0.88784638094009 0.78281495480087 0.49881091122052 15.999 > 32 *33 O 0.72997721296717 0.39777560476807 0.95790539330813 15.999 > 33 34 O 0.27002278703283 0.89777560476807 0.54209460669187 15.999 > 34 35 O 0.27002278703283 0.60222439523193 0.04209460669187 15.999 > 35 36 O 0.72997721296717 0.10222439523193 0.45790539330813 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.429513840364111 0.000000000000000 0.000000000000000 b 0.000000000000000 15.285254800000004 0.000000000000000 c -4.215709977193714 0.000000000000000 7.016484921885445 Atomic positions (fractional): *1 Cd 0.39653656241244 0.13217059782841 0.24199834083175 112.411 > 1 2 Cd 0.89653656241244 0.13217059782841 0.24199834083175 112.411 > 1 3 Cd 0.39653656241244 0.63217059782841 0.24199834083175 112.411 > 1 4 Cd 0.89653656241244 0.63217059782841 0.24199834083175 112.411 > 1 5 Cd 0.10346343758756 0.38217059782841 0.25800165916825 112.411 > 2 6 Cd 0.60346343758756 0.38217059782841 0.25800165916825 112.411 > 2 7 Cd 0.10346343758756 0.88217059782841 0.25800165916825 112.411 > 2 8 Cd 0.60346343758756 0.88217059782841 0.25800165916825 112.411 > 2 9 Cd 0.10346343758756 0.36782940217159 0.75800165916825 112.411 > 3 10 Cd 0.60346343758756 0.36782940217159 0.75800165916825 112.411 > 3 11 Cd 0.10346343758756 0.86782940217159 0.75800165916825 112.411 > 3 12 Cd 0.60346343758756 0.86782940217159 0.75800165916825 112.411 > 3 13 Cd 0.39653656241244 0.11782940217159 0.74199834083175 112.411 > 4 14 Cd 0.89653656241244 0.11782940217159 0.74199834083175 112.411 > 4 15 Cd 0.39653656241244 0.61782940217159 0.74199834083175 112.411 > 4 16 Cd 0.89653656241244 0.61782940217159 0.74199834083175 112.411 > 4 *17 H 0.39990753662081 0.25773366614560 0.98294314260020 1.008 > 5 18 H 0.89990753662081 0.25773366614560 0.98294314260020 1.008 > 5 19 H 0.39990753662081 0.75773366614560 0.98294314260020 1.008 > 5 20 H 0.89990753662081 0.75773366614560 0.98294314260020 1.008 > 5 21 H 0.10009246337919 0.00773366614560 0.51705685739980 1.008 > 6 22 H 0.60009246337919 0.00773366614560 0.51705685739980 1.008 > 6 23 H 0.10009246337919 0.50773366614560 0.51705685739980 1.008 > 6 24 H 0.60009246337919 0.50773366614560 0.51705685739980 1.008 > 6 25 H 0.10009246337919 0.24226633385440 0.01705685739980 1.008 > 7 26 H 0.60009246337919 0.24226633385440 0.01705685739980 1.008 > 7 27 H 0.10009246337919 0.74226633385440 0.01705685739980 1.008 > 7 28 H 0.60009246337919 0.74226633385440 0.01705685739980 1.008 > 7 29 H 0.39990753662081 0.49226633385440 0.48294314260020 1.008 > 8 30 H 0.89990753662081 0.49226633385440 0.48294314260020 1.008 > 8 31 H 0.39990753662081 0.99226633385440 0.48294314260020 1.008 > 8 32 H 0.89990753662081 0.99226633385440 0.48294314260020 1.008 > 8 *33 H 0.29027397174028 0.21382133490868 0.87976274848849 1.008 > 9 34 H 0.79027397174028 0.21382133490868 0.87976274848849 1.008 > 9 35 H 0.29027397174028 0.71382133490869 0.87976274848849 1.008 > 9 36 H 0.79027397174028 0.71382133490869 0.87976274848849 1.008 > 9 37 H 0.20972602825972 0.46382133490868 0.62023725151151 1.008 > 10 38 H 0.70972602825972 0.46382133490868 0.62023725151151 1.008 > 10 39 H 0.20972602825972 0.96382133490869 0.62023725151151 1.008 > 10 40 H 0.70972602825972 0.96382133490869 0.62023725151151 1.008 > 10 41 H 0.20972602825972 0.28617866509132 0.12023725151151 1.008 > 11 42 H 0.70972602825972 0.28617866509132 0.12023725151151 1.008 > 11 43 H 0.20972602825972 0.78617866509131 0.12023725151151 1.008 > 11 44 H 0.70972602825972 0.78617866509131 0.12023725151151 1.008 > 11 45 H 0.29027397174028 0.03617866509132 0.37976274848849 1.008 > 12 46 H 0.79027397174028 0.03617866509132 0.37976274848849 1.008 > 12 47 H 0.29027397174028 0.53617866509131 0.37976274848849 1.008 > 12 48 H 0.79027397174028 0.53617866509131 0.37976274848849 1.008 > 12 *49 Se 0.36758575274314 0.44115796198082 0.98133108571777 78.960 > 13 50 Se 0.86758575274314 0.44115796198082 0.98133108571777 78.960 > 13 51 Se 0.36758575274314 0.94115796198082 0.98133108571777 78.960 > 13 52 Se 0.86758575274314 0.94115796198082 0.98133108571777 78.960 > 13 53 Se 0.13241424725686 0.19115796198082 0.51866891428223 78.960 > 14 54 Se 0.63241424725686 0.19115796198082 0.51866891428223 78.960 > 14 55 Se 0.13241424725686 0.69115796198082 0.51866891428223 78.960 > 14 56 Se 0.63241424725686 0.69115796198082 0.51866891428223 78.960 > 14 57 Se 0.13241424725686 0.05884203801918 0.01866891428223 78.960 > 15 58 Se 0.63241424725686 0.05884203801918 0.01866891428223 78.960 > 15 59 Se 0.13241424725686 0.55884203801918 0.01866891428223 78.960 > 15 60 Se 0.63241424725686 0.55884203801918 0.01866891428223 78.960 > 15 61 Se 0.36758575274314 0.30884203801918 0.48133108571777 78.960 > 16 62 Se 0.86758575274314 0.30884203801918 0.48133108571777 78.960 > 16 63 Se 0.36758575274314 0.80884203801918 0.48133108571777 78.960 > 16 64 Se 0.86758575274314 0.80884203801918 0.48133108571777 78.960 > 16 *65 O 0.44429716371143 0.00660905773438 0.16139542546098 15.999 > 17 66 O 0.94429716371143 0.00660905773438 0.16139542546098 15.999 > 17 67 O 0.44429716371143 0.50660905773438 0.16139542546098 15.999 > 17 68 O 0.94429716371143 0.50660905773438 0.16139542546098 15.999 > 17 69 O 0.05570283628857 0.25660905773438 0.33860457453902 15.999 > 18 70 O 0.55570283628857 0.25660905773438 0.33860457453902 15.999 > 18 71 O 0.05570283628857 0.75660905773438 0.33860457453902 15.999 > 18 72 O 0.55570283628857 0.75660905773438 0.33860457453902 15.999 > 18 73 O 0.05570283628857 0.49339094226562 0.83860457453902 15.999 > 19 74 O 0.55570283628857 0.49339094226562 0.83860457453902 15.999 > 19 75 O 0.05570283628857 0.99339094226562 0.83860457453902 15.999 > 19 76 O 0.55570283628857 0.99339094226562 0.83860457453902 15.999 > 19 77 O 0.44429716371143 0.24339094226562 0.66139542546098 15.999 > 20 78 O 0.94429716371143 0.24339094226562 0.66139542546098 15.999 > 20 79 O 0.44429716371143 0.74339094226562 0.66139542546098 15.999 > 20 80 O 0.94429716371143 0.74339094226562 0.66139542546098 15.999 > 20 *81 O 0.32525198860090 0.49487730240409 0.77474556685902 15.999 > 21 82 O 0.82525198860090 0.49487730240409 0.77474556685902 15.999 > 21 83 O 0.32525198860090 0.99487730240409 0.77474556685902 15.999 > 21 84 O 0.82525198860090 0.99487730240409 0.77474556685902 15.999 > 21 85 O 0.17474801139910 0.24487730240409 0.72525443314098 15.999 > 22 86 O 0.67474801139910 0.24487730240409 0.72525443314098 15.999 > 22 87 O 0.17474801139910 0.74487730240409 0.72525443314098 15.999 > 22 88 O 0.67474801139910 0.74487730240409 0.72525443314098 15.999 > 22 89 O 0.17474801139910 0.00512269759590 0.22525443314098 15.999 > 23 90 O 0.67474801139910 0.00512269759590 0.22525443314098 15.999 > 23 91 O 0.17474801139910 0.50512269759591 0.22525443314098 15.999 > 23 92 O 0.67474801139910 0.50512269759591 0.22525443314098 15.999 > 23 93 O 0.32525198860090 0.25512269759591 0.27474556685902 15.999 > 24 94 O 0.82525198860090 0.25512269759591 0.27474556685902 15.999 > 24 95 O 0.32525198860090 0.75512269759591 0.27474556685902 15.999 > 24 96 O 0.82525198860090 0.75512269759591 0.27474556685902 15.999 > 24 *97 O 0.27021850265133 0.40284706925509 0.99016139232988 15.999 > 25 98 O 0.77021850265133 0.40284706925509 0.99016139232988 15.999 > 25 99 O 0.27021850265133 0.90284706925509 0.99016139232988 15.999 > 25 100 O 0.77021850265133 0.90284706925509 0.99016139232988 15.999 > 25 101 O 0.22978149734867 0.15284706925509 0.50983860767012 15.999 > 26 102 O 0.72978149734867 0.15284706925509 0.50983860767012 15.999 > 26 103 O 0.22978149734867 0.65284706925509 0.50983860767012 15.999 > 26 104 O 0.72978149734867 0.65284706925509 0.50983860767012 15.999 > 26 105 O 0.22978149734867 0.09715293074491 0.00983860767012 15.999 > 27 106 O 0.72978149734867 0.09715293074491 0.00983860767012 15.999 > 27 107 O 0.22978149734867 0.59715293074491 0.00983860767012 15.999 > 27 108 O 0.72978149734867 0.59715293074491 0.00983860767012 15.999 > 27 109 O 0.27021850265133 0.34715293074491 0.49016139232988 15.999 > 28 110 O 0.77021850265133 0.34715293074491 0.49016139232988 15.999 > 28 111 O 0.27021850265133 0.84715293074491 0.49016139232988 15.999 > 28 112 O 0.77021850265133 0.84715293074491 0.49016139232988 15.999 > 28 *113 O 0.44392319047005 0.35859252259957 0.99881091122052 15.999 > 29 114 O 0.94392319047005 0.35859252259957 0.99881091122052 15.999 > 29 115 O 0.44392319047005 0.85859252259957 0.99881091122052 15.999 > 29 116 O 0.94392319047005 0.85859252259957 0.99881091122052 15.999 > 29 117 O 0.05607680952995 0.10859252259957 0.50118908877948 15.999 > 30 118 O 0.55607680952995 0.10859252259957 0.50118908877948 15.999 > 30 119 O 0.05607680952995 0.60859252259957 0.50118908877948 15.999 > 30 120 O 0.55607680952995 0.60859252259957 0.50118908877948 15.999 > 30 121 O 0.05607680952995 0.14140747740043 0.00118908877948 15.999 > 31 122 O 0.55607680952995 0.14140747740043 0.00118908877948 15.999 > 31 123 O 0.05607680952995 0.64140747740043 0.00118908877948 15.999 > 31 124 O 0.55607680952995 0.64140747740043 0.00118908877948 15.999 > 31 125 O 0.44392319047005 0.39140747740043 0.49881091122052 15.999 > 32 126 O 0.94392319047005 0.39140747740043 0.49881091122052 15.999 > 32 127 O 0.44392319047005 0.89140747740043 0.49881091122052 15.999 > 32 128 O 0.94392319047005 0.89140747740043 0.49881091122052 15.999 > 32 *129 O 0.36498860648358 0.19888780238404 0.95790539330813 15.999 > 33 130 O 0.86498860648358 0.19888780238404 0.95790539330813 15.999 > 33 131 O 0.36498860648358 0.69888780238404 0.95790539330813 15.999 > 33 132 O 0.86498860648358 0.69888780238404 0.95790539330813 15.999 > 33 133 O 0.13501139351642 0.44888780238404 0.54209460669187 15.999 > 34 134 O 0.63501139351642 0.44888780238404 0.54209460669187 15.999 > 34 135 O 0.13501139351642 0.94888780238404 0.54209460669187 15.999 > 34 136 O 0.63501139351642 0.94888780238404 0.54209460669187 15.999 > 34 137 O 0.13501139351642 0.30111219761596 0.04209460669187 15.999 > 35 138 O 0.63501139351642 0.30111219761596 0.04209460669187 15.999 > 35 139 O 0.13501139351642 0.80111219761596 0.04209460669187 15.999 > 35 140 O 0.63501139351642 0.80111219761596 0.04209460669187 15.999 > 35 141 O 0.36498860648358 0.05111219761596 0.45790539330813 15.999 > 36 142 O 0.86498860648358 0.05111219761596 0.45790539330813 15.999 > 36 143 O 0.36498860648358 0.55111219761596 0.45790539330813 15.999 > 36 144 O 0.86498860648358 0.55111219761596 0.45790539330813 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2705284 0.0000000 0.1728481 0.0000000 3.3063980 0.0000000 0.1728477 0.0000000 3.2048711 -------------------------- Born effective charges -------------------------- 1 Cd 2.6441633 0.0601730 0.3666407 -0.0097551 2.5612685 0.3073620 -0.1005200 0.3428204 2.4986943 2 Cd 2.6441633 -0.0601730 0.3666407 0.0097551 2.5612685 -0.3073620 -0.1005200 -0.3428204 2.4986943 3 Cd 2.6441633 0.0601730 0.3666407 -0.0097551 2.5612685 0.3073620 -0.1005200 0.3428204 2.4986943 4 Cd 2.6441633 -0.0601730 0.3666407 0.0097551 2.5612685 -0.3073620 -0.1005200 -0.3428204 2.4986943 5 H 0.4034077 0.2468603 0.0777325 0.5190185 1.4979827 0.1903549 0.0652955 0.1754575 0.3828347 6 H 0.4034077 -0.2468603 0.0777325 -0.5190185 1.4979827 -0.1903549 0.0652955 -0.1754575 0.3828347 7 H 0.4034077 0.2468603 0.0777325 0.5190185 1.4979827 0.1903549 0.0652955 0.1754575 0.3828347 8 H 0.4034077 -0.2468603 0.0777325 -0.5190185 1.4979827 -0.1903549 0.0652955 -0.1754575 0.3828347 9 H 0.8713112 -0.0279949 0.4683004 -0.1117673 0.3209244 -0.1529529 0.7422034 -0.2401879 0.9712898 10 H 0.8713112 0.0279949 0.4683004 0.1117673 0.3209244 0.1529529 0.7422034 0.2401879 0.9712898 11 H 0.8713112 -0.0279949 0.4683004 -0.1117673 0.3209244 -0.1529529 0.7422034 -0.2401879 0.9712898 12 H 0.8713112 0.0279949 0.4683004 0.1117673 0.3209244 0.1529529 0.7422034 0.2401879 0.9712898 13 Se 3.3504876 -0.2926787 -0.2600254 -0.0091002 3.3131910 -0.1986663 0.6206177 -0.2759502 3.1933231 14 Se 3.3504876 0.2926787 -0.2600254 0.0091002 3.3131910 0.1986663 0.6206177 0.2759502 3.1933231 15 Se 3.3504876 -0.2926787 -0.2600254 -0.0091002 3.3131910 -0.1986663 0.6206177 -0.2759502 3.1933231 16 Se 3.3504876 0.2926787 -0.2600254 0.0091002 3.3131910 0.1986663 0.6206177 0.2759502 3.1933231 17 O -1.1671608 0.1486564 -0.0938370 0.0253546 -1.6414862 -0.5731624 -0.2045887 -0.5075702 -1.4953901 18 O -1.1671608 -0.1486564 -0.0938370 -0.0253546 -1.6414862 0.5731624 -0.2045887 0.5075702 -1.4953901 19 O -1.1671608 0.1486564 -0.0938370 0.0253546 -1.6414862 -0.5731624 -0.2045887 -0.5075702 -1.4953901 20 O -1.1671608 -0.1486564 -0.0938370 -0.0253546 -1.6414862 0.5731624 -0.2045887 0.5075702 -1.4953901 21 O -1.1874840 -0.2699696 -0.0200966 -0.3451278 -1.4573533 0.4963210 -0.1556302 0.5033587 -1.9359718 22 O -1.1874840 0.2699696 -0.0200966 0.3451278 -1.4573533 -0.4963210 -0.1556302 -0.5033587 -1.9359718 23 O -1.1874840 -0.2699696 -0.0200966 -0.3451278 -1.4573533 0.4963210 -0.1556302 0.5033587 -1.9359718 24 O -1.1874840 0.2699696 -0.0200966 0.3451278 -1.4573533 -0.4963210 -0.1556302 -0.5033587 -1.9359718 25 O -2.0080553 -0.3221297 -0.1275490 -0.4169091 -1.0728216 -0.0302286 -0.3059738 -0.0633926 -1.0099249 26 O -2.0080553 0.3221297 -0.1275490 0.4169091 -1.0728216 0.0302286 -0.3059738 0.0633926 -1.0099249 27 O -2.0080553 -0.3221297 -0.1275490 -0.4169091 -1.0728216 -0.0302286 -0.3059738 -0.0633926 -1.0099249 28 O -2.0080553 0.3221297 -0.1275490 0.4169091 -1.0728216 0.0302286 -0.3059738 0.0633926 -1.0099249 29 O -1.5737507 0.4275799 -0.3539113 0.4526940 -2.0477579 0.1463292 -0.4513389 0.1004472 -1.1103182 30 O -1.5737507 -0.4275799 -0.3539113 -0.4526940 -2.0477579 -0.1463292 -0.4513389 -0.1004472 -1.1103182 31 O -1.5737507 0.4275799 -0.3539113 0.4526940 -2.0477579 0.1463292 -0.4513389 0.1004472 -1.1103182 32 O -1.5737507 -0.4275799 -0.3539113 -0.4526940 -2.0477579 -0.1463292 -0.4513389 -0.1004472 -1.1103182 33 O -1.3329191 -0.0919317 -0.0572541 -0.1843402 -1.4739476 -0.0383261 -0.2100651 0.0102954 -1.4945369 34 O -1.3329191 0.0919317 -0.0572541 0.1843402 -1.4739476 0.0383261 -0.2100651 -0.0102954 -1.4945369 35 O -1.3329191 -0.0919317 -0.0572541 -0.1843402 -1.4739476 -0.0383261 -0.2100651 0.0102954 -1.4945369 36 O -1.3329191 0.0919317 -0.0572541 0.1843402 -1.4739476 0.0383261 -0.2100651 -0.0102954 -1.4945369 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (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: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (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: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.990 Solver_block: 200 / 1120 - Time: 1.783 Solver_block: 300 / 1120 - Time: 1.774 Solver_block: 400 / 1120 - Time: 1.774 Solver_block: 500 / 1120 - Time: 1.775 Solver_block: 600 / 1120 - Time: 1.777 Solver_block: 700 / 1120 - Time: 1.767 Solver_block: 800 / 1120 - Time: 1.776 Solver_block: 900 / 1120 - Time: 1.771 Solver_block: 1000 / 1120 - Time: 1.773 Solver_block: 1100 / 1120 - Time: 1.770 Solver_block: 1120 / 1120 - Time: 0.511 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 20.754 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (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: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (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: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), 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 22:18:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:18:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.714756920182055 0.000000000000000 0.000000000000000 b 0.000000000000000 7.642627400000002 0.000000000000000 c -4.215709977193714 0.000000000000000 7.016484921885445 Atomic positions (fractional): 1 Cd 0.79307312482489 0.26434119565682 0.24199834083175 112.411 2 Cd 0.20692687517511 0.76434119565682 0.25800165916825 112.411 3 Cd 0.20692687517511 0.73565880434318 0.75800165916825 112.411 4 Cd 0.79307312482489 0.23565880434318 0.74199834083175 112.411 5 H 0.79981507324162 0.51546733229120 0.98294314260020 1.008 6 H 0.20018492675838 0.01546733229120 0.51705685739980 1.008 7 H 0.20018492675838 0.48453266770880 0.01705685739980 1.008 8 H 0.79981507324162 0.98453266770880 0.48294314260020 1.008 9 H 0.58054794348057 0.42764266981737 0.87976274848849 1.008 10 H 0.41945205651943 0.92764266981737 0.62023725151151 1.008 11 H 0.41945205651943 0.57235733018263 0.12023725151151 1.008 12 H 0.58054794348057 0.07235733018263 0.37976274848849 1.008 13 Se 0.73517150548628 0.88231592396165 0.98133108571777 78.960 14 Se 0.26482849451372 0.38231592396165 0.51866891428223 78.960 15 Se 0.26482849451372 0.11768407603835 0.01866891428223 78.960 16 Se 0.73517150548628 0.61768407603835 0.48133108571777 78.960 17 O 0.88859432742287 0.01321811546876 0.16139542546098 15.999 18 O 0.11140567257713 0.51321811546876 0.33860457453902 15.999 19 O 0.11140567257713 0.98678188453124 0.83860457453902 15.999 20 O 0.88859432742287 0.48678188453124 0.66139542546098 15.999 21 O 0.65050397720179 0.98975460480819 0.77474556685902 15.999 22 O 0.34949602279821 0.48975460480819 0.72525443314098 15.999 23 O 0.34949602279821 0.01024539519181 0.22525443314098 15.999 24 O 0.65050397720179 0.51024539519181 0.27474556685902 15.999 25 O 0.54043700530267 0.80569413851017 0.99016139232988 15.999 26 O 0.45956299469733 0.30569413851017 0.50983860767012 15.999 27 O 0.45956299469733 0.19430586148983 0.00983860767012 15.999 28 O 0.54043700530267 0.69430586148983 0.49016139232988 15.999 29 O 0.88784638094009 0.71718504519913 0.99881091122052 15.999 30 O 0.11215361905991 0.21718504519913 0.50118908877948 15.999 31 O 0.11215361905991 0.28281495480087 0.00118908877948 15.999 32 O 0.88784638094009 0.78281495480087 0.49881091122052 15.999 33 O 0.72997721296717 0.39777560476807 0.95790539330813 15.999 34 O 0.27002278703283 0.89777560476807 0.54209460669187 15.999 35 O 0.27002278703283 0.60222439523193 0.04209460669187 15.999 36 O 0.72997721296717 0.10222439523193 0.45790539330813 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.429513840364111 0.000000000000000 0.000000000000000 b 0.000000000000000 15.285254800000004 0.000000000000000 c -4.215709977193714 0.000000000000000 7.016484921885445 Atomic positions (fractional): 1 Cd 0.39653656241244 0.13217059782841 0.24199834083175 112.411 > 1 2 Cd 0.89653656241244 0.13217059782841 0.24199834083175 112.411 > 1 3 Cd 0.39653656241244 0.63217059782841 0.24199834083175 112.411 > 1 4 Cd 0.89653656241244 0.63217059782841 0.24199834083175 112.411 > 1 5 Cd 0.10346343758756 0.38217059782841 0.25800165916825 112.411 > 5 6 Cd 0.60346343758756 0.38217059782841 0.25800165916825 112.411 > 5 7 Cd 0.10346343758756 0.88217059782841 0.25800165916825 112.411 > 5 8 Cd 0.60346343758756 0.88217059782841 0.25800165916825 112.411 > 5 9 Cd 0.10346343758756 0.36782940217159 0.75800165916825 112.411 > 9 10 Cd 0.60346343758756 0.36782940217159 0.75800165916825 112.411 > 9 11 Cd 0.10346343758756 0.86782940217159 0.75800165916825 112.411 > 9 12 Cd 0.60346343758756 0.86782940217159 0.75800165916825 112.411 > 9 13 Cd 0.39653656241244 0.11782940217159 0.74199834083175 112.411 > 13 14 Cd 0.89653656241244 0.11782940217159 0.74199834083175 112.411 > 13 15 Cd 0.39653656241244 0.61782940217159 0.74199834083175 112.411 > 13 16 Cd 0.89653656241244 0.61782940217159 0.74199834083175 112.411 > 13 17 H 0.39990753662081 0.25773366614560 0.98294314260020 1.008 > 17 18 H 0.89990753662081 0.25773366614560 0.98294314260020 1.008 > 17 19 H 0.39990753662081 0.75773366614560 0.98294314260020 1.008 > 17 20 H 0.89990753662081 0.75773366614560 0.98294314260020 1.008 > 17 21 H 0.10009246337919 0.00773366614560 0.51705685739980 1.008 > 21 22 H 0.60009246337919 0.00773366614560 0.51705685739980 1.008 > 21 23 H 0.10009246337919 0.50773366614560 0.51705685739980 1.008 > 21 24 H 0.60009246337919 0.50773366614560 0.51705685739980 1.008 > 21 25 H 0.10009246337919 0.24226633385440 0.01705685739980 1.008 > 25 26 H 0.60009246337919 0.24226633385440 0.01705685739980 1.008 > 25 27 H 0.10009246337919 0.74226633385440 0.01705685739980 1.008 > 25 28 H 0.60009246337919 0.74226633385440 0.01705685739980 1.008 > 25 29 H 0.39990753662081 0.49226633385440 0.48294314260020 1.008 > 29 30 H 0.89990753662081 0.49226633385440 0.48294314260020 1.008 > 29 31 H 0.39990753662081 0.99226633385440 0.48294314260020 1.008 > 29 32 H 0.89990753662081 0.99226633385440 0.48294314260020 1.008 > 29 33 H 0.29027397174028 0.21382133490868 0.87976274848849 1.008 > 33 34 H 0.79027397174028 0.21382133490868 0.87976274848849 1.008 > 33 35 H 0.29027397174028 0.71382133490869 0.87976274848849 1.008 > 33 36 H 0.79027397174028 0.71382133490869 0.87976274848849 1.008 > 33 37 H 0.20972602825972 0.46382133490868 0.62023725151151 1.008 > 37 38 H 0.70972602825972 0.46382133490868 0.62023725151151 1.008 > 37 39 H 0.20972602825972 0.96382133490869 0.62023725151151 1.008 > 37 40 H 0.70972602825972 0.96382133490869 0.62023725151151 1.008 > 37 41 H 0.20972602825972 0.28617866509132 0.12023725151151 1.008 > 41 42 H 0.70972602825972 0.28617866509132 0.12023725151151 1.008 > 41 43 H 0.20972602825972 0.78617866509131 0.12023725151151 1.008 > 41 44 H 0.70972602825972 0.78617866509131 0.12023725151151 1.008 > 41 45 H 0.29027397174028 0.03617866509132 0.37976274848849 1.008 > 45 46 H 0.79027397174028 0.03617866509132 0.37976274848849 1.008 > 45 47 H 0.29027397174028 0.53617866509131 0.37976274848849 1.008 > 45 48 H 0.79027397174028 0.53617866509131 0.37976274848849 1.008 > 45 49 Se 0.36758575274314 0.44115796198082 0.98133108571777 78.960 > 49 50 Se 0.86758575274314 0.44115796198082 0.98133108571777 78.960 > 49 51 Se 0.36758575274314 0.94115796198082 0.98133108571777 78.960 > 49 52 Se 0.86758575274314 0.94115796198082 0.98133108571777 78.960 > 49 53 Se 0.13241424725686 0.19115796198082 0.51866891428223 78.960 > 53 54 Se 0.63241424725686 0.19115796198082 0.51866891428223 78.960 > 53 55 Se 0.13241424725686 0.69115796198082 0.51866891428223 78.960 > 53 56 Se 0.63241424725686 0.69115796198082 0.51866891428223 78.960 > 53 57 Se 0.13241424725686 0.05884203801918 0.01866891428223 78.960 > 57 58 Se 0.63241424725686 0.05884203801918 0.01866891428223 78.960 > 57 59 Se 0.13241424725686 0.55884203801918 0.01866891428223 78.960 > 57 60 Se 0.63241424725686 0.55884203801918 0.01866891428223 78.960 > 57 61 Se 0.36758575274314 0.30884203801918 0.48133108571777 78.960 > 61 62 Se 0.86758575274314 0.30884203801918 0.48133108571777 78.960 > 61 63 Se 0.36758575274314 0.80884203801918 0.48133108571777 78.960 > 61 64 Se 0.86758575274314 0.80884203801918 0.48133108571777 78.960 > 61 65 O 0.44429716371143 0.00660905773438 0.16139542546098 15.999 > 65 66 O 0.94429716371143 0.00660905773438 0.16139542546098 15.999 > 65 67 O 0.44429716371143 0.50660905773438 0.16139542546098 15.999 > 65 68 O 0.94429716371143 0.50660905773438 0.16139542546098 15.999 > 65 69 O 0.05570283628857 0.25660905773438 0.33860457453902 15.999 > 69 70 O 0.55570283628857 0.25660905773438 0.33860457453902 15.999 > 69 71 O 0.05570283628857 0.75660905773438 0.33860457453902 15.999 > 69 72 O 0.55570283628857 0.75660905773438 0.33860457453902 15.999 > 69 73 O 0.05570283628857 0.49339094226562 0.83860457453902 15.999 > 73 74 O 0.55570283628857 0.49339094226562 0.83860457453902 15.999 > 73 75 O 0.05570283628857 0.99339094226562 0.83860457453902 15.999 > 73 76 O 0.55570283628857 0.99339094226562 0.83860457453902 15.999 > 73 77 O 0.44429716371143 0.24339094226562 0.66139542546098 15.999 > 77 78 O 0.94429716371143 0.24339094226562 0.66139542546098 15.999 > 77 79 O 0.44429716371143 0.74339094226562 0.66139542546098 15.999 > 77 80 O 0.94429716371143 0.74339094226562 0.66139542546098 15.999 > 77 81 O 0.32525198860090 0.49487730240409 0.77474556685902 15.999 > 81 82 O 0.82525198860090 0.49487730240409 0.77474556685902 15.999 > 81 83 O 0.32525198860090 0.99487730240409 0.77474556685902 15.999 > 81 84 O 0.82525198860090 0.99487730240409 0.77474556685902 15.999 > 81 85 O 0.17474801139910 0.24487730240409 0.72525443314098 15.999 > 85 86 O 0.67474801139910 0.24487730240409 0.72525443314098 15.999 > 85 87 O 0.17474801139910 0.74487730240409 0.72525443314098 15.999 > 85 88 O 0.67474801139910 0.74487730240409 0.72525443314098 15.999 > 85 89 O 0.17474801139910 0.00512269759590 0.22525443314098 15.999 > 89 90 O 0.67474801139910 0.00512269759590 0.22525443314098 15.999 > 89 91 O 0.17474801139910 0.50512269759591 0.22525443314098 15.999 > 89 92 O 0.67474801139910 0.50512269759591 0.22525443314098 15.999 > 89 93 O 0.32525198860090 0.25512269759591 0.27474556685902 15.999 > 93 94 O 0.82525198860090 0.25512269759591 0.27474556685902 15.999 > 93 95 O 0.32525198860090 0.75512269759591 0.27474556685902 15.999 > 93 96 O 0.82525198860090 0.75512269759591 0.27474556685902 15.999 > 93 97 O 0.27021850265133 0.40284706925509 0.99016139232988 15.999 > 97 98 O 0.77021850265133 0.40284706925509 0.99016139232988 15.999 > 97 99 O 0.27021850265133 0.90284706925509 0.99016139232988 15.999 > 97 100 O 0.77021850265133 0.90284706925509 0.99016139232988 15.999 > 97 101 O 0.22978149734867 0.15284706925509 0.50983860767012 15.999 > 101 102 O 0.72978149734867 0.15284706925509 0.50983860767012 15.999 > 101 103 O 0.22978149734867 0.65284706925509 0.50983860767012 15.999 > 101 104 O 0.72978149734867 0.65284706925509 0.50983860767012 15.999 > 101 105 O 0.22978149734867 0.09715293074491 0.00983860767012 15.999 > 105 106 O 0.72978149734867 0.09715293074491 0.00983860767012 15.999 > 105 107 O 0.22978149734867 0.59715293074491 0.00983860767012 15.999 > 105 108 O 0.72978149734867 0.59715293074491 0.00983860767012 15.999 > 105 109 O 0.27021850265133 0.34715293074491 0.49016139232988 15.999 > 109 110 O 0.77021850265133 0.34715293074491 0.49016139232988 15.999 > 109 111 O 0.27021850265133 0.84715293074491 0.49016139232988 15.999 > 109 112 O 0.77021850265133 0.84715293074491 0.49016139232988 15.999 > 109 113 O 0.44392319047005 0.35859252259957 0.99881091122052 15.999 > 113 114 O 0.94392319047005 0.35859252259957 0.99881091122052 15.999 > 113 115 O 0.44392319047005 0.85859252259957 0.99881091122052 15.999 > 113 116 O 0.94392319047005 0.85859252259957 0.99881091122052 15.999 > 113 117 O 0.05607680952995 0.10859252259957 0.50118908877948 15.999 > 117 118 O 0.55607680952995 0.10859252259957 0.50118908877948 15.999 > 117 119 O 0.05607680952995 0.60859252259957 0.50118908877948 15.999 > 117 120 O 0.55607680952995 0.60859252259957 0.50118908877948 15.999 > 117 121 O 0.05607680952995 0.14140747740043 0.00118908877948 15.999 > 121 122 O 0.55607680952995 0.14140747740043 0.00118908877948 15.999 > 121 123 O 0.05607680952995 0.64140747740043 0.00118908877948 15.999 > 121 124 O 0.55607680952995 0.64140747740043 0.00118908877948 15.999 > 121 125 O 0.44392319047005 0.39140747740043 0.49881091122052 15.999 > 125 126 O 0.94392319047005 0.39140747740043 0.49881091122052 15.999 > 125 127 O 0.44392319047005 0.89140747740043 0.49881091122052 15.999 > 125 128 O 0.94392319047005 0.89140747740043 0.49881091122052 15.999 > 125 129 O 0.36498860648358 0.19888780238404 0.95790539330813 15.999 > 129 130 O 0.86498860648358 0.19888780238404 0.95790539330813 15.999 > 129 131 O 0.36498860648358 0.69888780238404 0.95790539330813 15.999 > 129 132 O 0.86498860648358 0.69888780238404 0.95790539330813 15.999 > 129 133 O 0.13501139351642 0.44888780238404 0.54209460669187 15.999 > 133 134 O 0.63501139351642 0.44888780238404 0.54209460669187 15.999 > 133 135 O 0.13501139351642 0.94888780238404 0.54209460669187 15.999 > 133 136 O 0.63501139351642 0.94888780238404 0.54209460669187 15.999 > 133 137 O 0.13501139351642 0.30111219761596 0.04209460669187 15.999 > 137 138 O 0.63501139351642 0.30111219761596 0.04209460669187 15.999 > 137 139 O 0.13501139351642 0.80111219761596 0.04209460669187 15.999 > 137 140 O 0.63501139351642 0.80111219761596 0.04209460669187 15.999 > 137 141 O 0.36498860648358 0.05111219761596 0.45790539330813 15.999 > 141 142 O 0.86498860648358 0.05111219761596 0.45790539330813 15.999 > 141 143 O 0.36498860648358 0.55111219761596 0.45790539330813 15.999 > 141 144 O 0.86498860648358 0.55111219761596 0.45790539330813 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2705284 0.0000000 0.1728481 0.0000000 3.3063980 0.0000000 0.1728477 0.0000000 3.2048711 -------------------------- Born effective charges -------------------------- 1 Cd 2.6441633 0.0601730 0.3666407 -0.0097551 2.5612685 0.3073620 -0.1005200 0.3428204 2.4986943 2 Cd 2.6441633 -0.0601730 0.3666407 0.0097551 2.5612685 -0.3073620 -0.1005200 -0.3428204 2.4986943 3 Cd 2.6441633 0.0601730 0.3666407 -0.0097551 2.5612685 0.3073620 -0.1005200 0.3428204 2.4986943 4 Cd 2.6441633 -0.0601730 0.3666407 0.0097551 2.5612685 -0.3073620 -0.1005200 -0.3428204 2.4986943 5 H 0.4034077 0.2468603 0.0777325 0.5190185 1.4979827 0.1903549 0.0652955 0.1754575 0.3828347 6 H 0.4034077 -0.2468603 0.0777325 -0.5190185 1.4979827 -0.1903549 0.0652955 -0.1754575 0.3828347 7 H 0.4034077 0.2468603 0.0777325 0.5190185 1.4979827 0.1903549 0.0652955 0.1754575 0.3828347 8 H 0.4034077 -0.2468603 0.0777325 -0.5190185 1.4979827 -0.1903549 0.0652955 -0.1754575 0.3828347 9 H 0.8713112 -0.0279949 0.4683004 -0.1117673 0.3209244 -0.1529529 0.7422034 -0.2401879 0.9712898 10 H 0.8713112 0.0279949 0.4683004 0.1117673 0.3209244 0.1529529 0.7422034 0.2401879 0.9712898 11 H 0.8713112 -0.0279949 0.4683004 -0.1117673 0.3209244 -0.1529529 0.7422034 -0.2401879 0.9712898 12 H 0.8713112 0.0279949 0.4683004 0.1117673 0.3209244 0.1529529 0.7422034 0.2401879 0.9712898 13 Se 3.3504876 -0.2926787 -0.2600254 -0.0091002 3.3131910 -0.1986663 0.6206177 -0.2759502 3.1933231 14 Se 3.3504876 0.2926787 -0.2600254 0.0091002 3.3131910 0.1986663 0.6206177 0.2759502 3.1933231 15 Se 3.3504876 -0.2926787 -0.2600254 -0.0091002 3.3131910 -0.1986663 0.6206177 -0.2759502 3.1933231 16 Se 3.3504876 0.2926787 -0.2600254 0.0091002 3.3131910 0.1986663 0.6206177 0.2759502 3.1933231 17 O -1.1671608 0.1486564 -0.0938370 0.0253546 -1.6414862 -0.5731624 -0.2045887 -0.5075702 -1.4953901 18 O -1.1671608 -0.1486564 -0.0938370 -0.0253546 -1.6414862 0.5731624 -0.2045887 0.5075702 -1.4953901 19 O -1.1671608 0.1486564 -0.0938370 0.0253546 -1.6414862 -0.5731624 -0.2045887 -0.5075702 -1.4953901 20 O -1.1671608 -0.1486564 -0.0938370 -0.0253546 -1.6414862 0.5731624 -0.2045887 0.5075702 -1.4953901 21 O -1.1874840 -0.2699696 -0.0200966 -0.3451278 -1.4573533 0.4963210 -0.1556302 0.5033587 -1.9359718 22 O -1.1874840 0.2699696 -0.0200966 0.3451278 -1.4573533 -0.4963210 -0.1556302 -0.5033587 -1.9359718 23 O -1.1874840 -0.2699696 -0.0200966 -0.3451278 -1.4573533 0.4963210 -0.1556302 0.5033587 -1.9359718 24 O -1.1874840 0.2699696 -0.0200966 0.3451278 -1.4573533 -0.4963210 -0.1556302 -0.5033587 -1.9359718 25 O -2.0080553 -0.3221297 -0.1275490 -0.4169091 -1.0728216 -0.0302286 -0.3059738 -0.0633926 -1.0099249 26 O -2.0080553 0.3221297 -0.1275490 0.4169091 -1.0728216 0.0302286 -0.3059738 0.0633926 -1.0099249 27 O -2.0080553 -0.3221297 -0.1275490 -0.4169091 -1.0728216 -0.0302286 -0.3059738 -0.0633926 -1.0099249 28 O -2.0080553 0.3221297 -0.1275490 0.4169091 -1.0728216 0.0302286 -0.3059738 0.0633926 -1.0099249 29 O -1.5737507 0.4275799 -0.3539113 0.4526940 -2.0477579 0.1463292 -0.4513389 0.1004472 -1.1103182 30 O -1.5737507 -0.4275799 -0.3539113 -0.4526940 -2.0477579 -0.1463292 -0.4513389 -0.1004472 -1.1103182 31 O -1.5737507 0.4275799 -0.3539113 0.4526940 -2.0477579 0.1463292 -0.4513389 0.1004472 -1.1103182 32 O -1.5737507 -0.4275799 -0.3539113 -0.4526940 -2.0477579 -0.1463292 -0.4513389 -0.1004472 -1.1103182 33 O -1.3329191 -0.0919317 -0.0572541 -0.1843402 -1.4739476 -0.0383261 -0.2100651 0.0102954 -1.4945369 34 O -1.3329191 0.0919317 -0.0572541 0.1843402 -1.4739476 0.0383261 -0.2100651 -0.0102954 -1.4945369 35 O -1.3329191 -0.0919317 -0.0572541 -0.1843402 -1.4739476 -0.0383261 -0.2100651 0.0102954 -1.4945369 36 O -1.3329191 0.0919317 -0.0572541 0.1843402 -1.4739476 0.0383261 -0.2100651 -0.0102954 -1.4945369 ---------------------------------------------------------------------------- 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] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] 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] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] 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] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] 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] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 113, 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] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 129, 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] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000006 (yyy) -0.00000006 (yyy) -0.00000006 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xz) -0.00000002 (xz) 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 22:19:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:19:59]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.714756920182055 0.000000000000000 0.000000000000000 b 0.000000000000000 7.642627400000002 0.000000000000000 c -4.215709977193714 0.000000000000000 7.016484921885445 Atomic positions (fractional): 1 Cd 0.79307312482489 0.26434119565682 0.24199834083175 112.411 2 Cd 0.20692687517511 0.76434119565682 0.25800165916825 112.411 3 Cd 0.20692687517511 0.73565880434318 0.75800165916825 112.411 4 Cd 0.79307312482489 0.23565880434318 0.74199834083175 112.411 5 H 0.79981507324162 0.51546733229120 0.98294314260020 1.008 6 H 0.20018492675838 0.01546733229120 0.51705685739980 1.008 7 H 0.20018492675838 0.48453266770880 0.01705685739980 1.008 8 H 0.79981507324162 0.98453266770880 0.48294314260020 1.008 9 H 0.58054794348057 0.42764266981737 0.87976274848849 1.008 10 H 0.41945205651943 0.92764266981737 0.62023725151151 1.008 11 H 0.41945205651943 0.57235733018263 0.12023725151151 1.008 12 H 0.58054794348057 0.07235733018263 0.37976274848849 1.008 13 Se 0.73517150548628 0.88231592396165 0.98133108571777 78.960 14 Se 0.26482849451372 0.38231592396165 0.51866891428223 78.960 15 Se 0.26482849451372 0.11768407603835 0.01866891428223 78.960 16 Se 0.73517150548628 0.61768407603835 0.48133108571777 78.960 17 O 0.88859432742287 0.01321811546876 0.16139542546098 15.999 18 O 0.11140567257713 0.51321811546876 0.33860457453902 15.999 19 O 0.11140567257713 0.98678188453124 0.83860457453902 15.999 20 O 0.88859432742287 0.48678188453124 0.66139542546098 15.999 21 O 0.65050397720179 0.98975460480819 0.77474556685902 15.999 22 O 0.34949602279821 0.48975460480819 0.72525443314098 15.999 23 O 0.34949602279821 0.01024539519181 0.22525443314098 15.999 24 O 0.65050397720179 0.51024539519181 0.27474556685902 15.999 25 O 0.54043700530267 0.80569413851017 0.99016139232988 15.999 26 O 0.45956299469733 0.30569413851017 0.50983860767012 15.999 27 O 0.45956299469733 0.19430586148983 0.00983860767012 15.999 28 O 0.54043700530267 0.69430586148983 0.49016139232988 15.999 29 O 0.88784638094009 0.71718504519913 0.99881091122052 15.999 30 O 0.11215361905991 0.21718504519913 0.50118908877948 15.999 31 O 0.11215361905991 0.28281495480087 0.00118908877948 15.999 32 O 0.88784638094009 0.78281495480087 0.49881091122052 15.999 33 O 0.72997721296717 0.39777560476807 0.95790539330813 15.999 34 O 0.27002278703283 0.89777560476807 0.54209460669187 15.999 35 O 0.27002278703283 0.60222439523193 0.04209460669187 15.999 36 O 0.72997721296717 0.10222439523193 0.45790539330813 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.429513840364111 0.000000000000000 0.000000000000000 b 0.000000000000000 15.285254800000004 0.000000000000000 c -4.215709977193714 0.000000000000000 7.016484921885445 Atomic positions (fractional): 1 Cd 0.39653656241244 0.13217059782841 0.24199834083175 112.411 > 1 2 Cd 0.89653656241244 0.13217059782841 0.24199834083175 112.411 > 1 3 Cd 0.39653656241244 0.63217059782841 0.24199834083175 112.411 > 1 4 Cd 0.89653656241244 0.63217059782841 0.24199834083175 112.411 > 1 5 Cd 0.10346343758756 0.38217059782841 0.25800165916825 112.411 > 5 6 Cd 0.60346343758756 0.38217059782841 0.25800165916825 112.411 > 5 7 Cd 0.10346343758756 0.88217059782841 0.25800165916825 112.411 > 5 8 Cd 0.60346343758756 0.88217059782841 0.25800165916825 112.411 > 5 9 Cd 0.10346343758756 0.36782940217159 0.75800165916825 112.411 > 9 10 Cd 0.60346343758756 0.36782940217159 0.75800165916825 112.411 > 9 11 Cd 0.10346343758756 0.86782940217159 0.75800165916825 112.411 > 9 12 Cd 0.60346343758756 0.86782940217159 0.75800165916825 112.411 > 9 13 Cd 0.39653656241244 0.11782940217159 0.74199834083175 112.411 > 13 14 Cd 0.89653656241244 0.11782940217159 0.74199834083175 112.411 > 13 15 Cd 0.39653656241244 0.61782940217159 0.74199834083175 112.411 > 13 16 Cd 0.89653656241244 0.61782940217159 0.74199834083175 112.411 > 13 17 H 0.39990753662081 0.25773366614560 0.98294314260020 1.008 > 17 18 H 0.89990753662081 0.25773366614560 0.98294314260020 1.008 > 17 19 H 0.39990753662081 0.75773366614560 0.98294314260020 1.008 > 17 20 H 0.89990753662081 0.75773366614560 0.98294314260020 1.008 > 17 21 H 0.10009246337919 0.00773366614560 0.51705685739980 1.008 > 21 22 H 0.60009246337919 0.00773366614560 0.51705685739980 1.008 > 21 23 H 0.10009246337919 0.50773366614560 0.51705685739980 1.008 > 21 24 H 0.60009246337919 0.50773366614560 0.51705685739980 1.008 > 21 25 H 0.10009246337919 0.24226633385440 0.01705685739980 1.008 > 25 26 H 0.60009246337919 0.24226633385440 0.01705685739980 1.008 > 25 27 H 0.10009246337919 0.74226633385440 0.01705685739980 1.008 > 25 28 H 0.60009246337919 0.74226633385440 0.01705685739980 1.008 > 25 29 H 0.39990753662081 0.49226633385440 0.48294314260020 1.008 > 29 30 H 0.89990753662081 0.49226633385440 0.48294314260020 1.008 > 29 31 H 0.39990753662081 0.99226633385440 0.48294314260020 1.008 > 29 32 H 0.89990753662081 0.99226633385440 0.48294314260020 1.008 > 29 33 H 0.29027397174028 0.21382133490868 0.87976274848849 1.008 > 33 34 H 0.79027397174028 0.21382133490868 0.87976274848849 1.008 > 33 35 H 0.29027397174028 0.71382133490869 0.87976274848849 1.008 > 33 36 H 0.79027397174028 0.71382133490869 0.87976274848849 1.008 > 33 37 H 0.20972602825972 0.46382133490868 0.62023725151151 1.008 > 37 38 H 0.70972602825972 0.46382133490868 0.62023725151151 1.008 > 37 39 H 0.20972602825972 0.96382133490869 0.62023725151151 1.008 > 37 40 H 0.70972602825972 0.96382133490869 0.62023725151151 1.008 > 37 41 H 0.20972602825972 0.28617866509132 0.12023725151151 1.008 > 41 42 H 0.70972602825972 0.28617866509132 0.12023725151151 1.008 > 41 43 H 0.20972602825972 0.78617866509131 0.12023725151151 1.008 > 41 44 H 0.70972602825972 0.78617866509131 0.12023725151151 1.008 > 41 45 H 0.29027397174028 0.03617866509132 0.37976274848849 1.008 > 45 46 H 0.79027397174028 0.03617866509132 0.37976274848849 1.008 > 45 47 H 0.29027397174028 0.53617866509131 0.37976274848849 1.008 > 45 48 H 0.79027397174028 0.53617866509131 0.37976274848849 1.008 > 45 49 Se 0.36758575274314 0.44115796198082 0.98133108571777 78.960 > 49 50 Se 0.86758575274314 0.44115796198082 0.98133108571777 78.960 > 49 51 Se 0.36758575274314 0.94115796198082 0.98133108571777 78.960 > 49 52 Se 0.86758575274314 0.94115796198082 0.98133108571777 78.960 > 49 53 Se 0.13241424725686 0.19115796198082 0.51866891428223 78.960 > 53 54 Se 0.63241424725686 0.19115796198082 0.51866891428223 78.960 > 53 55 Se 0.13241424725686 0.69115796198082 0.51866891428223 78.960 > 53 56 Se 0.63241424725686 0.69115796198082 0.51866891428223 78.960 > 53 57 Se 0.13241424725686 0.05884203801918 0.01866891428223 78.960 > 57 58 Se 0.63241424725686 0.05884203801918 0.01866891428223 78.960 > 57 59 Se 0.13241424725686 0.55884203801918 0.01866891428223 78.960 > 57 60 Se 0.63241424725686 0.55884203801918 0.01866891428223 78.960 > 57 61 Se 0.36758575274314 0.30884203801918 0.48133108571777 78.960 > 61 62 Se 0.86758575274314 0.30884203801918 0.48133108571777 78.960 > 61 63 Se 0.36758575274314 0.80884203801918 0.48133108571777 78.960 > 61 64 Se 0.86758575274314 0.80884203801918 0.48133108571777 78.960 > 61 65 O 0.44429716371143 0.00660905773438 0.16139542546098 15.999 > 65 66 O 0.94429716371143 0.00660905773438 0.16139542546098 15.999 > 65 67 O 0.44429716371143 0.50660905773438 0.16139542546098 15.999 > 65 68 O 0.94429716371143 0.50660905773438 0.16139542546098 15.999 > 65 69 O 0.05570283628857 0.25660905773438 0.33860457453902 15.999 > 69 70 O 0.55570283628857 0.25660905773438 0.33860457453902 15.999 > 69 71 O 0.05570283628857 0.75660905773438 0.33860457453902 15.999 > 69 72 O 0.55570283628857 0.75660905773438 0.33860457453902 15.999 > 69 73 O 0.05570283628857 0.49339094226562 0.83860457453902 15.999 > 73 74 O 0.55570283628857 0.49339094226562 0.83860457453902 15.999 > 73 75 O 0.05570283628857 0.99339094226562 0.83860457453902 15.999 > 73 76 O 0.55570283628857 0.99339094226562 0.83860457453902 15.999 > 73 77 O 0.44429716371143 0.24339094226562 0.66139542546098 15.999 > 77 78 O 0.94429716371143 0.24339094226562 0.66139542546098 15.999 > 77 79 O 0.44429716371143 0.74339094226562 0.66139542546098 15.999 > 77 80 O 0.94429716371143 0.74339094226562 0.66139542546098 15.999 > 77 81 O 0.32525198860090 0.49487730240409 0.77474556685902 15.999 > 81 82 O 0.82525198860090 0.49487730240409 0.77474556685902 15.999 > 81 83 O 0.32525198860090 0.99487730240409 0.77474556685902 15.999 > 81 84 O 0.82525198860090 0.99487730240409 0.77474556685902 15.999 > 81 85 O 0.17474801139910 0.24487730240409 0.72525443314098 15.999 > 85 86 O 0.67474801139910 0.24487730240409 0.72525443314098 15.999 > 85 87 O 0.17474801139910 0.74487730240409 0.72525443314098 15.999 > 85 88 O 0.67474801139910 0.74487730240409 0.72525443314098 15.999 > 85 89 O 0.17474801139910 0.00512269759590 0.22525443314098 15.999 > 89 90 O 0.67474801139910 0.00512269759590 0.22525443314098 15.999 > 89 91 O 0.17474801139910 0.50512269759591 0.22525443314098 15.999 > 89 92 O 0.67474801139910 0.50512269759591 0.22525443314098 15.999 > 89 93 O 0.32525198860090 0.25512269759591 0.27474556685902 15.999 > 93 94 O 0.82525198860090 0.25512269759591 0.27474556685902 15.999 > 93 95 O 0.32525198860090 0.75512269759591 0.27474556685902 15.999 > 93 96 O 0.82525198860090 0.75512269759591 0.27474556685902 15.999 > 93 97 O 0.27021850265133 0.40284706925509 0.99016139232988 15.999 > 97 98 O 0.77021850265133 0.40284706925509 0.99016139232988 15.999 > 97 99 O 0.27021850265133 0.90284706925509 0.99016139232988 15.999 > 97 100 O 0.77021850265133 0.90284706925509 0.99016139232988 15.999 > 97 101 O 0.22978149734867 0.15284706925509 0.50983860767012 15.999 > 101 102 O 0.72978149734867 0.15284706925509 0.50983860767012 15.999 > 101 103 O 0.22978149734867 0.65284706925509 0.50983860767012 15.999 > 101 104 O 0.72978149734867 0.65284706925509 0.50983860767012 15.999 > 101 105 O 0.22978149734867 0.09715293074491 0.00983860767012 15.999 > 105 106 O 0.72978149734867 0.09715293074491 0.00983860767012 15.999 > 105 107 O 0.22978149734867 0.59715293074491 0.00983860767012 15.999 > 105 108 O 0.72978149734867 0.59715293074491 0.00983860767012 15.999 > 105 109 O 0.27021850265133 0.34715293074491 0.49016139232988 15.999 > 109 110 O 0.77021850265133 0.34715293074491 0.49016139232988 15.999 > 109 111 O 0.27021850265133 0.84715293074491 0.49016139232988 15.999 > 109 112 O 0.77021850265133 0.84715293074491 0.49016139232988 15.999 > 109 113 O 0.44392319047005 0.35859252259957 0.99881091122052 15.999 > 113 114 O 0.94392319047005 0.35859252259957 0.99881091122052 15.999 > 113 115 O 0.44392319047005 0.85859252259957 0.99881091122052 15.999 > 113 116 O 0.94392319047005 0.85859252259957 0.99881091122052 15.999 > 113 117 O 0.05607680952995 0.10859252259957 0.50118908877948 15.999 > 117 118 O 0.55607680952995 0.10859252259957 0.50118908877948 15.999 > 117 119 O 0.05607680952995 0.60859252259957 0.50118908877948 15.999 > 117 120 O 0.55607680952995 0.60859252259957 0.50118908877948 15.999 > 117 121 O 0.05607680952995 0.14140747740043 0.00118908877948 15.999 > 121 122 O 0.55607680952995 0.14140747740043 0.00118908877948 15.999 > 121 123 O 0.05607680952995 0.64140747740043 0.00118908877948 15.999 > 121 124 O 0.55607680952995 0.64140747740043 0.00118908877948 15.999 > 121 125 O 0.44392319047005 0.39140747740043 0.49881091122052 15.999 > 125 126 O 0.94392319047005 0.39140747740043 0.49881091122052 15.999 > 125 127 O 0.44392319047005 0.89140747740043 0.49881091122052 15.999 > 125 128 O 0.94392319047005 0.89140747740043 0.49881091122052 15.999 > 125 129 O 0.36498860648358 0.19888780238404 0.95790539330813 15.999 > 129 130 O 0.86498860648358 0.19888780238404 0.95790539330813 15.999 > 129 131 O 0.36498860648358 0.69888780238404 0.95790539330813 15.999 > 129 132 O 0.86498860648358 0.69888780238404 0.95790539330813 15.999 > 129 133 O 0.13501139351642 0.44888780238404 0.54209460669187 15.999 > 133 134 O 0.63501139351642 0.44888780238404 0.54209460669187 15.999 > 133 135 O 0.13501139351642 0.94888780238404 0.54209460669187 15.999 > 133 136 O 0.63501139351642 0.94888780238404 0.54209460669187 15.999 > 133 137 O 0.13501139351642 0.30111219761596 0.04209460669187 15.999 > 137 138 O 0.63501139351642 0.30111219761596 0.04209460669187 15.999 > 137 139 O 0.13501139351642 0.80111219761596 0.04209460669187 15.999 > 137 140 O 0.63501139351642 0.80111219761596 0.04209460669187 15.999 > 137 141 O 0.36498860648358 0.05111219761596 0.45790539330813 15.999 > 141 142 O 0.86498860648358 0.05111219761596 0.45790539330813 15.999 > 141 143 O 0.36498860648358 0.55111219761596 0.45790539330813 15.999 > 141 144 O 0.86498860648358 0.55111219761596 0.45790539330813 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2705284 0.0000000 0.1728481 0.0000000 3.3063980 0.0000000 0.1728477 0.0000000 3.2048711 -------------------------- Born effective charges -------------------------- 1 Cd 2.6441633 0.0601730 0.3666407 -0.0097551 2.5612685 0.3073620 -0.1005200 0.3428204 2.4986943 2 Cd 2.6441633 -0.0601730 0.3666407 0.0097551 2.5612685 -0.3073620 -0.1005200 -0.3428204 2.4986943 3 Cd 2.6441633 0.0601730 0.3666407 -0.0097551 2.5612685 0.3073620 -0.1005200 0.3428204 2.4986943 4 Cd 2.6441633 -0.0601730 0.3666407 0.0097551 2.5612685 -0.3073620 -0.1005200 -0.3428204 2.4986943 5 H 0.4034077 0.2468603 0.0777325 0.5190185 1.4979827 0.1903549 0.0652955 0.1754575 0.3828347 6 H 0.4034077 -0.2468603 0.0777325 -0.5190185 1.4979827 -0.1903549 0.0652955 -0.1754575 0.3828347 7 H 0.4034077 0.2468603 0.0777325 0.5190185 1.4979827 0.1903549 0.0652955 0.1754575 0.3828347 8 H 0.4034077 -0.2468603 0.0777325 -0.5190185 1.4979827 -0.1903549 0.0652955 -0.1754575 0.3828347 9 H 0.8713112 -0.0279949 0.4683004 -0.1117673 0.3209244 -0.1529529 0.7422034 -0.2401879 0.9712898 10 H 0.8713112 0.0279949 0.4683004 0.1117673 0.3209244 0.1529529 0.7422034 0.2401879 0.9712898 11 H 0.8713112 -0.0279949 0.4683004 -0.1117673 0.3209244 -0.1529529 0.7422034 -0.2401879 0.9712898 12 H 0.8713112 0.0279949 0.4683004 0.1117673 0.3209244 0.1529529 0.7422034 0.2401879 0.9712898 13 Se 3.3504876 -0.2926787 -0.2600254 -0.0091002 3.3131910 -0.1986663 0.6206177 -0.2759502 3.1933231 14 Se 3.3504876 0.2926787 -0.2600254 0.0091002 3.3131910 0.1986663 0.6206177 0.2759502 3.1933231 15 Se 3.3504876 -0.2926787 -0.2600254 -0.0091002 3.3131910 -0.1986663 0.6206177 -0.2759502 3.1933231 16 Se 3.3504876 0.2926787 -0.2600254 0.0091002 3.3131910 0.1986663 0.6206177 0.2759502 3.1933231 17 O -1.1671608 0.1486564 -0.0938370 0.0253546 -1.6414862 -0.5731624 -0.2045887 -0.5075702 -1.4953901 18 O -1.1671608 -0.1486564 -0.0938370 -0.0253546 -1.6414862 0.5731624 -0.2045887 0.5075702 -1.4953901 19 O -1.1671608 0.1486564 -0.0938370 0.0253546 -1.6414862 -0.5731624 -0.2045887 -0.5075702 -1.4953901 20 O -1.1671608 -0.1486564 -0.0938370 -0.0253546 -1.6414862 0.5731624 -0.2045887 0.5075702 -1.4953901 21 O -1.1874840 -0.2699696 -0.0200966 -0.3451278 -1.4573533 0.4963210 -0.1556302 0.5033587 -1.9359718 22 O -1.1874840 0.2699696 -0.0200966 0.3451278 -1.4573533 -0.4963210 -0.1556302 -0.5033587 -1.9359718 23 O -1.1874840 -0.2699696 -0.0200966 -0.3451278 -1.4573533 0.4963210 -0.1556302 0.5033587 -1.9359718 24 O -1.1874840 0.2699696 -0.0200966 0.3451278 -1.4573533 -0.4963210 -0.1556302 -0.5033587 -1.9359718 25 O -2.0080553 -0.3221297 -0.1275490 -0.4169091 -1.0728216 -0.0302286 -0.3059738 -0.0633926 -1.0099249 26 O -2.0080553 0.3221297 -0.1275490 0.4169091 -1.0728216 0.0302286 -0.3059738 0.0633926 -1.0099249 27 O -2.0080553 -0.3221297 -0.1275490 -0.4169091 -1.0728216 -0.0302286 -0.3059738 -0.0633926 -1.0099249 28 O -2.0080553 0.3221297 -0.1275490 0.4169091 -1.0728216 0.0302286 -0.3059738 0.0633926 -1.0099249 29 O -1.5737507 0.4275799 -0.3539113 0.4526940 -2.0477579 0.1463292 -0.4513389 0.1004472 -1.1103182 30 O -1.5737507 -0.4275799 -0.3539113 -0.4526940 -2.0477579 -0.1463292 -0.4513389 -0.1004472 -1.1103182 31 O -1.5737507 0.4275799 -0.3539113 0.4526940 -2.0477579 0.1463292 -0.4513389 0.1004472 -1.1103182 32 O -1.5737507 -0.4275799 -0.3539113 -0.4526940 -2.0477579 -0.1463292 -0.4513389 -0.1004472 -1.1103182 33 O -1.3329191 -0.0919317 -0.0572541 -0.1843402 -1.4739476 -0.0383261 -0.2100651 0.0102954 -1.4945369 34 O -1.3329191 0.0919317 -0.0572541 0.1843402 -1.4739476 0.0383261 -0.2100651 -0.0102954 -1.4945369 35 O -1.3329191 -0.0919317 -0.0572541 -0.1843402 -1.4739476 -0.0383261 -0.2100651 0.0102954 -1.4945369 36 O -1.3329191 0.0919317 -0.0572541 0.1843402 -1.4739476 0.0383261 -0.2100651 -0.0102954 -1.4945369 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000006 (yyy) -0.00000006 (yyy) -0.00000006 (yyy) 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 ... [ 8 7 7 ] 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: 0.56, Number of G-points: 311, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/116) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 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 1.633 ( 0.000 0.000 0.000) 0.000 1.817 ( 0.000 0.000 0.000) 0.000 1.870 ( 0.000 0.000 0.000) 0.000 1.935 ( 0.000 0.000 0.000) 0.000 2.112 ( 0.000 0.000 0.000) 0.000 2.131 ( 0.000 0.000 0.000) 0.000 2.284 ( 0.000 0.000 0.000) 0.000 2.514 ( 0.000 0.000 0.000) 0.000 2.570 ( 0.000 0.000 0.000) 0.000 2.751 ( 0.000 0.000 0.000) 0.000 2.917 ( 0.000 0.000 0.000) 0.000 3.062 ( 0.000 0.000 0.000) 0.000 3.194 ( 0.000 0.000 0.000) 0.000 3.272 ( 0.000 0.000 0.000) 0.000 3.391 ( 0.000 0.000 0.000) 0.000 3.416 ( 0.000 0.000 0.000) 0.000 3.608 ( 0.000 0.000 0.000) 0.000 3.756 ( 0.000 0.000 0.000) 0.000 3.854 ( 0.000 0.000 0.000) 0.000 3.916 ( 0.000 0.000 0.000) 0.000 4.225 ( 0.000 0.000 0.000) 0.000 4.234 ( 0.000 0.000 0.000) 0.000 4.783 ( 0.000 0.000 0.000) 0.000 4.836 ( 0.000 0.000 0.000) 0.000 4.883 ( 0.000 0.000 0.000) 0.000 5.158 ( 0.000 0.000 0.000) 0.000 5.411 ( 0.000 0.000 0.000) 0.000 5.460 ( 0.000 0.000 0.000) 0.000 5.666 ( 0.000 0.000 0.000) 0.000 6.370 ( 0.000 0.000 0.000) 0.000 6.392 ( 0.000 0.000 0.000) 0.000 6.593 ( 0.000 0.000 0.000) 0.000 7.106 ( 0.000 0.000 0.000) 0.000 7.549 ( 0.000 0.000 0.000) 0.000 7.712 ( 0.000 0.000 0.000) 0.000 7.726 ( 0.000 0.000 0.000) 0.000 8.087 ( 0.000 0.000 0.000) 0.000 8.149 ( 0.000 0.000 0.000) 0.000 8.180 ( 0.000 0.000 0.000) 0.000 8.245 ( 0.000 0.000 0.000) 0.000 8.308 ( 0.000 0.000 0.000) 0.000 8.497 ( 0.000 0.000 0.000) 0.000 8.502 ( 0.000 0.000 0.000) 0.000 8.672 ( 0.000 0.000 0.000) 0.000 8.890 ( 0.000 0.000 0.000) 0.000 9.170 ( 0.000 0.000 0.000) 0.000 9.540 ( 0.000 0.000 0.000) 0.000 9.596 ( 0.000 0.000 0.000) 0.000 9.849 ( 0.000 0.000 0.000) 0.000 10.720 ( 0.000 0.000 0.000) 0.000 10.784 ( 0.000 0.000 0.000) 0.000 11.047 ( 0.000 0.000 0.000) 0.000 11.240 ( 0.000 0.000 0.000) 0.000 11.293 ( 0.000 0.000 0.000) 0.000 11.385 ( 0.000 0.000 0.000) 0.000 11.483 ( 0.000 0.000 0.000) 0.000 11.635 ( 0.000 0.000 0.000) 0.000 12.097 ( 0.000 0.000 0.000) 0.000 12.729 ( 0.000 0.000 0.000) 0.000 12.804 ( 0.000 0.000 0.000) 0.000 13.163 ( 0.000 0.000 0.000) 0.000 13.496 ( 0.000 0.000 0.000) 0.000 13.589 ( 0.000 0.000 0.000) 0.000 14.077 ( 0.000 0.000 0.000) 0.000 14.278 ( 0.000 0.000 0.000) 0.000 21.405 ( 0.000 0.000 0.000) 0.000 21.486 ( 0.000 0.000 0.000) 0.000 21.571 ( 0.000 0.000 0.000) 0.000 21.896 ( 0.000 0.000 0.000) 0.000 23.224 ( 0.000 0.000 0.000) 0.000 23.345 ( 0.000 0.000 0.000) 0.000 23.565 ( 0.000 0.000 0.000) 0.000 23.706 ( 0.000 0.000 0.000) 0.000 23.720 ( 0.000 0.000 0.000) 0.000 23.828 ( 0.000 0.000 0.000) 0.000 23.909 ( 0.000 0.000 0.000) 0.000 24.071 ( 0.000 0.000 0.000) 0.000 24.672 ( 0.000 0.000 0.000) 0.000 24.698 ( 0.000 0.000 0.000) 0.000 24.745 ( 0.000 0.000 0.000) 0.000 24.901 ( 0.000 0.000 0.000) 0.000 25.946 ( 0.000 0.000 0.000) 0.000 26.021 ( 0.000 0.000 0.000) 0.000 26.071 ( 0.000 0.000 0.000) 0.000 26.212 ( 0.000 0.000 0.000) 0.000 27.507 ( 0.000 0.000 0.000) 0.000 27.636 ( 0.000 0.000 0.000) 0.000 27.700 ( 0.000 0.000 0.000) 0.000 27.758 ( 0.000 0.000 0.000) 0.000 29.352 ( 0.000 0.000 0.000) 0.000 29.547 ( 0.000 0.000 0.000) 0.000 30.180 ( 0.000 0.000 0.000) 0.000 30.543 ( 0.000 0.000 0.000) 0.000 47.674 ( 0.000 0.000 0.000) 0.000 47.820 ( 0.000 0.000 0.000) 0.000 47.924 ( 0.000 0.000 0.000) 0.000 47.924 ( 0.000 0.000 0.000) 0.000 88.759 ( 0.000 0.000 0.000) 0.000 88.829 ( 0.000 0.000 0.000) 0.000 89.385 ( 0.000 0.000 0.000) 0.000 89.393 ( 0.000 0.000 0.000) 0.000 90.286 ( 0.000 0.000 0.000) 0.000 90.303 ( 0.000 0.000 0.000) 0.000 90.774 ( 0.000 0.000 0.000) 0.000 90.908 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/116) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.339 ( 13.018 0.000 13.051) 18.433 0.353 ( 8.740 0.000 19.611) 21.471 0.908 ( 34.016 0.000 31.849) 46.598 1.663 ( 1.458 0.000 2.698) 3.067 1.781 ( -3.184 0.000 -2.021) 3.771 1.923 ( 2.129 0.000 1.867) 2.832 2.046 ( -8.687 0.000 -3.347) 9.309 2.067 ( 10.354 0.000 -13.269) 16.831 2.190 ( 4.616 0.000 8.260) 9.462 2.246 ( -4.289 0.000 0.061) 4.289 2.453 ( -1.044 0.000 0.714) 1.265 2.689 ( 4.583 0.000 4.979) 6.767 2.727 ( -3.585 0.000 -0.099) 3.586 2.894 ( -10.731 0.000 -5.479) 12.048 2.946 ( -0.838 0.000 6.302) 6.357 3.259 ( 3.641 0.000 0.040) 3.641 3.286 ( 0.934 0.000 1.498) 1.765 3.428 ( -2.690 0.000 5.936) 6.517 3.449 ( 1.942 0.000 -0.242) 1.957 3.598 ( -2.167 0.000 -0.451) 2.214 3.799 ( 5.827 0.000 4.054) 7.098 3.836 ( -0.836 0.000 -1.959) 2.130 3.889 ( -2.216 0.000 -1.883) 2.908 4.219 ( 0.288 0.000 0.082) 0.300 4.330 ( 6.808 0.000 3.495) 7.653 4.720 ( -13.376 0.000 -2.644) 13.635 4.799 ( -4.337 0.000 0.548) 4.372 5.247 ( 5.576 0.000 1.481) 5.769 5.325 ( 1.479 0.000 -16.195) 16.263 5.502 ( 6.595 0.000 -2.611) 7.093 5.644 ( 10.631 0.000 -5.324) 11.890 5.665 ( 0.361 0.000 -0.900) 0.969 6.328 ( -3.991 0.000 -0.996) 4.114 6.517 ( -3.481 0.000 3.112) 4.669 6.617 ( 1.654 0.000 0.831) 1.851 7.071 ( -2.051 0.000 -4.168) 4.645 7.538 ( -1.010 0.000 0.619) 1.184 7.748 ( 2.953 0.000 0.772) 3.053 7.755 ( -1.891 0.000 2.274) 2.958 8.049 ( -0.535 0.000 -5.742) 5.767 8.137 ( -2.823 0.000 -3.831) 4.759 8.143 ( -1.610 0.000 0.351) 1.648 8.235 ( -1.777 0.000 1.445) 2.290 8.317 ( 2.522 0.000 -4.352) 5.031 8.476 ( -1.665 0.000 -0.386) 1.709 8.485 ( 0.320 0.000 -2.342) 2.364 8.697 ( 0.867 0.000 2.665) 2.803 8.871 ( -2.397 0.000 0.112) 2.399 9.186 ( 2.091 0.000 -0.272) 2.109 9.576 ( -0.934 0.000 3.456) 3.580 9.604 ( 0.888 0.000 0.212) 0.913 9.838 ( -1.706 0.000 0.440) 1.762 10.718 ( 0.273 0.000 -0.896) 0.936 10.830 ( 6.775 0.000 -12.402) 14.132 11.035 ( -1.631 0.000 0.146) 1.638 11.209 ( -1.321 0.000 -1.334) 1.878 11.380 ( -0.012 0.000 -1.010) 1.010 11.434 ( 1.381 0.000 8.421) 8.533 11.495 ( 0.189 0.000 1.995) 2.004 11.644 ( 0.556 0.000 0.811) 0.984 12.123 ( 2.427 0.000 1.553) 2.881 12.633 ( -4.762 0.000 -3.828) 6.110 12.887 ( 4.486 0.000 1.981) 4.904 13.135 ( -3.445 0.000 -1.780) 3.877 13.490 ( -1.086 0.000 0.396) 1.156 14.097 ( 0.594 0.000 3.019) 3.077 14.294 ( 0.492 0.000 2.459) 2.508 14.601 ( -11.330 0.000 16.839) 20.296 21.410 ( 1.053 0.000 -0.404) 1.128 21.564 ( -0.380 0.000 -0.927) 1.002 21.669 ( 9.057 0.000 -18.058) 20.202 21.885 ( -0.775 0.000 -1.171) 1.404 23.225 ( 0.137 0.000 -0.057) 0.148 23.350 ( 0.688 0.000 -0.192) 0.714 23.609 ( 3.806 0.000 -1.864) 4.237 23.728 ( -0.311 0.000 1.652) 1.681 23.743 ( 2.603 0.000 2.773) 3.803 23.877 ( -3.108 0.000 -1.955) 3.672 24.036 ( -1.593 0.000 -2.808) 3.229 24.386 ( -14.405 0.000 12.971) 19.385 24.712 ( 1.524 0.000 3.528) 3.843 24.735 ( 1.714 0.000 4.146) 4.486 24.760 ( -8.008 0.000 14.394) 16.472 24.894 ( -0.312 0.000 -0.711) 0.776 25.912 ( -3.394 0.000 -0.106) 3.395 26.024 ( 0.573 0.000 -0.395) 0.696 26.090 ( 2.214 0.000 -1.141) 2.491 26.881 ( 2.979 0.000 -1.976) 3.574 27.629 ( -1.113 0.000 0.417) 1.189 27.677 ( 5.506 0.000 -10.579) 11.926 27.699 ( -0.703 0.000 0.639) 0.949 27.755 ( -0.097 0.000 -0.356) 0.369 29.390 ( -11.749 0.000 16.654) 20.381 29.551 ( -0.541 0.000 1.581) 1.671 30.168 ( -1.608 0.000 0.459) 1.673 30.542 ( -0.281 0.000 0.403) 0.491 47.674 ( -0.770 0.000 1.198) 1.424 47.774 ( -4.096 0.000 -0.241) 4.103 47.930 ( 1.233 0.000 -0.999) 1.587 47.988 ( 3.333 0.000 1.216) 3.548 88.760 ( -0.043 0.000 0.200) 0.205 88.834 ( 0.401 0.000 0.303) 0.502 89.361 ( -2.465 0.000 -0.521) 2.520 90.302 ( 0.260 0.000 -0.587) 0.642 90.311 ( 2.595 0.000 0.689) 2.685 90.764 ( -1.458 0.000 0.176) 1.469 90.780 ( -1.840 0.000 2.544) 3.140 91.196 ( -23.432 0.000 37.012) 43.805 ======================= Grid point 2 (3/116) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 4.864 0.000 16.149) 16.866 0.669 ( 12.104 0.000 12.442) 17.358 1.557 ( 7.278 0.000 12.186) 14.194 1.674 ( -8.479 0.000 -1.014) 8.539 1.804 ( 12.745 0.000 8.628) 15.391 1.848 ( -5.149 0.000 -9.467) 10.776 1.936 ( 5.159 0.000 1.505) 5.374 2.139 ( 4.848 0.000 -0.123) 4.850 2.148 ( -8.998 0.000 0.568) 9.016 2.431 ( -6.673 0.000 2.723) 7.207 2.447 ( 13.460 0.000 12.093) 18.094 2.670 ( -1.497 0.000 -2.177) 2.642 2.721 ( -1.194 0.000 0.480) 1.287 2.814 ( 2.889 0.000 3.186) 4.300 3.003 ( -0.267 0.000 7.290) 7.295 3.232 ( -2.030 0.000 -7.684) 7.948 3.337 ( 3.236 0.000 2.149) 3.885 3.437 ( -2.146 0.000 3.333) 3.964 3.481 ( 1.275 0.000 1.070) 1.665 3.599 ( 1.819 0.000 3.016) 3.522 3.801 ( -1.813 0.000 -2.571) 3.146 3.815 ( -2.660 0.000 -2.159) 3.426 3.969 ( 8.346 0.000 3.483) 9.043 4.234 ( 0.273 0.000 2.102) 2.120 4.475 ( 6.523 0.000 2.501) 6.986 4.479 ( -11.969 0.000 -2.724) 12.275 4.731 ( -4.695 0.000 1.697) 4.992 5.121 ( -6.195 0.000 -14.785) 16.031 5.350 ( 5.256 0.000 -1.162) 5.383 5.603 ( 6.621 0.000 -2.530) 7.087 5.668 ( 3.897 0.000 -2.517) 4.639 5.768 ( 7.024 0.000 0.219) 7.027 6.237 ( -5.549 0.000 -1.531) 5.757 6.496 ( -1.760 0.000 1.818) 2.531 6.643 ( 0.322 0.000 0.892) 0.949 6.958 ( -5.182 0.000 -6.330) 8.181 7.546 ( 0.309 0.000 2.418) 2.437 7.752 ( -0.643 0.000 1.517) 1.648 7.784 ( 0.765 0.000 -1.248) 1.464 7.983 ( 0.572 0.000 -6.416) 6.441 8.027 ( -4.465 0.000 -5.549) 7.123 8.100 ( -2.756 0.000 -1.156) 2.989 8.228 ( -1.733 0.000 2.374) 2.939 8.281 ( -1.458 0.000 -4.017) 4.274 8.462 ( 0.656 0.000 -0.718) 0.973 8.495 ( 3.408 0.000 -1.306) 3.650 8.733 ( -0.243 0.000 2.805) 2.815 8.824 ( -2.768 0.000 -0.557) 2.823 9.227 ( 2.896 0.000 -0.066) 2.897 9.599 ( 0.145 0.000 2.411) 2.416 9.626 ( 1.439 0.000 0.251) 1.461 9.802 ( -3.178 0.000 0.423) 3.206 10.710 ( 0.144 0.000 -1.606) 1.612 10.817 ( 3.768 0.000 -7.353) 8.262 10.999 ( -2.822 0.000 0.025) 2.822 11.190 ( -0.140 0.000 -0.362) 0.388 11.364 ( -0.611 0.000 -1.148) 1.301 11.528 ( 0.895 0.000 2.962) 3.094 11.537 ( 2.404 0.000 5.368) 5.881 11.665 ( 0.865 0.000 0.806) 1.182 12.211 ( 5.574 0.000 3.386) 6.521 12.537 ( -2.805 0.000 -2.939) 4.063 12.961 ( 2.865 0.000 0.883) 2.998 13.029 ( -6.147 0.000 -3.840) 7.248 13.466 ( -2.290 0.000 0.396) 2.324 14.149 ( 1.250 0.000 4.157) 4.341 14.336 ( 0.794 0.000 3.621) 3.707 14.574 ( -5.284 0.000 5.536) 7.653 21.438 ( 2.631 0.000 0.344) 2.654 21.540 ( -0.411 0.000 -2.591) 2.623 21.640 ( 2.351 0.000 -6.442) 6.857 21.841 ( -2.428 0.000 -2.807) 3.711 23.226 ( 0.081 0.000 -0.077) 0.112 23.364 ( 1.282 0.000 -0.178) 1.294 23.671 ( 3.895 0.000 1.392) 4.136 23.724 ( -2.525 0.000 0.645) 2.606 23.776 ( -4.697 0.000 -2.925) 5.533 23.828 ( 3.527 0.000 3.443) 4.929 24.002 ( 0.212 0.000 -1.357) 1.374 24.265 ( -8.155 0.000 0.653) 8.181 24.754 ( 2.047 0.000 -1.555) 2.571 24.786 ( -4.647 0.000 12.005) 12.873 24.818 ( 2.259 0.000 5.565) 6.006 24.884 ( 0.142 0.000 -0.743) 0.756 25.853 ( -3.388 0.000 -0.245) 3.397 26.031 ( 0.847 0.000 -0.460) 0.964 26.102 ( 1.011 0.000 -2.140) 2.367 26.919 ( 2.696 0.000 -0.001) 2.696 27.612 ( -1.460 0.000 0.655) 1.600 27.661 ( 2.108 0.000 -5.100) 5.518 27.689 ( -1.335 0.000 0.773) 1.542 27.748 ( -0.141 0.000 -0.537) 0.555 29.353 ( -6.354 0.000 6.347) 8.981 29.559 ( -0.892 0.000 2.252) 2.422 30.141 ( -2.252 0.000 0.652) 2.345 30.542 ( -0.284 0.000 0.573) 0.640 47.673 ( -1.027 0.000 1.607) 1.908 47.707 ( -3.541 0.000 -0.308) 3.554 47.943 ( 1.676 0.000 -1.326) 2.138 48.052 ( 3.170 0.000 0.527) 3.214 88.762 ( -0.073 0.000 0.279) 0.288 88.846 ( 0.641 0.000 0.292) 0.705 89.302 ( -3.800 0.000 -0.643) 3.854 90.300 ( 0.393 0.000 -0.844) 0.931 90.379 ( 4.648 0.000 1.043) 4.764 90.730 ( -2.962 0.000 0.190) 2.968 90.774 ( -0.520 0.000 0.203) 0.558 91.172 ( -10.914 0.000 15.357) 18.841 ======================= Grid point 3 (4/116) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 0.255 0.000 9.215) 9.219 0.954 ( 8.896 0.000 9.517) 13.027 1.511 ( -8.901 0.000 -0.086) 8.901 1.593 ( -2.733 0.000 -0.115) 2.736 1.739 ( 1.217 0.000 -7.154) 7.257 1.835 ( -0.480 0.000 -2.546) 2.591 1.965 ( -10.020 0.000 -2.897) 10.431 2.182 ( 3.676 0.000 0.248) 3.684 2.287 ( 8.760 0.000 8.944) 12.520 2.358 ( -4.015 0.000 3.110) 5.079 2.638 ( -0.496 0.000 1.280) 1.373 2.762 ( 0.334 0.000 4.546) 4.558 2.805 ( 12.876 0.000 8.731) 15.557 2.887 ( 2.739 0.000 1.614) 3.180 3.100 ( 3.604 0.000 9.796) 10.438 3.118 ( -1.655 0.000 -6.970) 7.164 3.383 ( -0.556 0.000 -2.345) 2.410 3.465 ( 3.042 0.000 6.120) 6.834 3.483 ( -0.850 0.000 -0.161) 0.865 3.686 ( 3.095 0.000 3.492) 4.666 3.707 ( -3.647 0.000 -3.292) 4.913 3.790 ( -1.503 0.000 -1.628) 2.216 4.099 ( 5.436 0.000 -0.411) 5.451 4.266 ( 0.429 0.000 2.797) 2.830 4.321 ( -4.643 0.000 0.161) 4.646 4.574 ( 3.131 0.000 1.369) 3.417 4.696 ( -2.123 0.000 2.539) 3.310 4.845 ( -8.919 0.000 -14.062) 16.651 5.408 ( 2.662 0.000 -0.082) 2.663 5.608 ( -0.600 0.000 -1.576) 1.687 5.794 ( 11.658 0.000 -2.352) 11.893 5.860 ( 3.743 0.000 0.241) 3.750 6.117 ( -7.510 0.000 -1.491) 7.657 6.494 ( -0.217 0.000 0.436) 0.488 6.646 ( -0.662 0.000 0.686) 0.954 6.811 ( -5.093 0.000 -4.373) 6.713 7.591 ( 1.180 0.000 3.709) 3.893 7.743 ( -1.491 0.000 -4.078) 4.342 7.761 ( -0.072 0.000 1.330) 1.332 7.909 ( -3.472 0.000 -4.302) 5.528 7.954 ( 1.164 0.000 -3.453) 3.644 8.048 ( -1.907 0.000 -0.988) 2.148 8.196 ( -2.556 0.000 -1.101) 2.783 8.246 ( -0.249 0.000 0.183) 0.309 8.472 ( 1.036 0.000 -0.584) 1.189 8.563 ( 5.251 0.000 -0.166) 5.253 8.735 ( -2.275 0.000 1.701) 2.841 8.780 ( -1.777 0.000 -0.549) 1.860 9.269 ( 1.986 0.000 0.111) 1.989 9.623 ( 0.350 0.000 1.333) 1.378 9.654 ( 1.669 0.000 0.185) 1.679 9.751 ( -3.170 0.000 0.209) 3.177 10.691 ( -0.342 0.000 -1.546) 1.583 10.813 ( 2.661 0.000 -4.171) 4.948 10.951 ( -2.851 0.000 0.233) 2.861 11.191 ( 0.244 0.000 0.082) 0.258 11.344 ( -0.619 0.000 -0.553) 0.830 11.575 ( 1.263 0.000 2.556) 2.851 11.606 ( 1.245 0.000 2.605) 2.887 11.681 ( 0.532 0.000 0.048) 0.535 12.360 ( 7.343 0.000 4.331) 8.525 12.486 ( -1.044 0.000 -1.415) 1.758 12.873 ( -7.354 0.000 -4.460) 8.601 13.000 ( 1.317 0.000 0.300) 1.350 13.430 ( -2.091 0.000 0.219) 2.102 14.205 ( 1.077 0.000 2.823) 3.022 14.383 ( 0.734 0.000 2.901) 2.992 14.542 ( -2.595 0.000 1.303) 2.904 21.506 ( 4.215 0.000 2.020) 4.674 21.508 ( -0.274 0.000 -2.304) 2.320 21.623 ( 0.507 0.000 -1.817) 1.887 21.752 ( -4.238 0.000 -3.951) 5.794 23.226 ( 0.007 0.000 -0.052) 0.053 23.385 ( 1.196 0.000 -0.054) 1.197 23.638 ( -3.781 0.000 -2.922) 4.778 23.725 ( -2.114 0.000 0.952) 2.319 23.755 ( 3.694 0.000 2.539) 4.482 23.902 ( 1.956 0.000 1.464) 2.443 24.006 ( 0.856 0.000 -0.268) 0.897 24.151 ( -4.941 0.000 -1.367) 5.127 24.764 ( 0.346 0.000 -0.082) 0.356 24.822 ( -1.418 0.000 5.067) 5.261 24.884 ( 1.045 0.000 -1.290) 1.660 24.900 ( 1.005 0.000 4.908) 5.009 25.807 ( -1.914 0.000 -0.072) 1.915 26.040 ( 0.624 0.000 -0.257) 0.675 26.085 ( -0.216 0.000 -2.059) 2.071 26.960 ( 1.869 0.000 0.312) 1.895 27.598 ( -0.953 0.000 0.525) 1.088 27.649 ( 0.883 0.000 -2.316) 2.479 27.673 ( -1.205 0.000 0.440) 1.283 27.741 ( -0.108 0.000 -0.424) 0.437 29.316 ( -3.286 0.000 2.389) 4.063 29.564 ( -0.724 0.000 1.603) 1.759 30.114 ( -1.577 0.000 0.462) 1.643 30.544 ( -0.119 0.000 0.409) 0.426 47.659 ( -1.950 0.000 -0.197) 1.959 47.672 ( -0.688 0.000 1.083) 1.283 47.955 ( 1.143 0.000 -0.885) 1.445 48.096 ( 1.779 0.000 0.214) 1.792 88.763 ( -0.060 0.000 0.194) 0.203 88.858 ( 0.575 0.000 0.099) 0.583 89.239 ( -2.966 0.000 -0.375) 2.990 90.299 ( 0.296 0.000 -0.606) 0.674 90.473 ( 5.464 0.000 0.916) 5.540 90.671 ( -4.229 0.000 -0.039) 4.230 90.768 ( -0.103 0.000 -0.245) 0.266 91.147 ( -5.023 0.000 6.370) 8.112 ======================= Grid point 4 (5/116) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 0.000 0.000 0.000) 0.000 1.089 ( 0.000 0.000 -0.000) 0.000 1.433 ( 0.000 0.000 0.000) 0.000 1.552 ( 0.000 0.000 0.000) 0.000 1.721 ( 0.000 0.000 0.000) 0.000 1.819 ( 0.000 0.000 -0.000) 0.000 1.854 ( 0.000 0.000 0.000) 0.000 2.207 ( 0.000 0.000 -0.000) 0.000 2.346 ( 0.000 0.000 0.000) 0.000 2.390 ( 0.000 0.000 0.000) 0.000 2.647 ( 0.000 0.000 0.000) 0.000 2.786 ( 0.000 0.000 0.000) 0.000 2.920 ( 0.000 0.000 0.000) 0.000 2.939 ( 0.000 0.000 0.000) 0.000 3.068 ( 0.000 0.000 0.000) 0.000 3.251 ( 0.000 0.000 0.000) 0.000 3.335 ( 0.000 0.000 0.000) 0.000 3.472 ( 0.000 0.000 0.000) 0.000 3.587 ( -0.000 0.000 -0.000) 0.000 3.632 ( 0.000 0.000 -0.000) 0.000 3.731 ( 0.000 0.000 0.000) 0.000 3.732 ( 0.000 0.000 0.000) 0.000 4.139 ( 0.000 0.000 0.000) 0.000 4.286 ( 0.000 0.000 0.000) 0.000 4.312 ( 0.000 0.000 0.000) 0.000 4.605 ( 0.000 0.000 0.000) 0.000 4.665 ( 0.000 0.000 0.000) 0.000 4.696 ( 0.000 0.000 0.000) 0.000 5.430 ( 0.000 0.000 0.000) 0.000 5.592 ( 0.000 0.000 0.000) 0.000 5.891 ( 0.000 0.000 0.000) 0.000 5.947 ( 0.000 0.000 0.000) 0.000 5.981 ( -0.000 0.000 0.000) 0.000 6.493 ( 0.000 0.000 0.000) 0.000 6.643 ( 0.000 0.000 0.000) 0.000 6.744 ( 0.000 0.000 0.000) 0.000 7.631 ( 0.000 0.000 -0.000) 0.000 7.699 ( 0.000 0.000 0.000) 0.000 7.770 ( 0.000 0.000 -0.000) 0.000 7.854 ( 0.000 0.000 0.000) 0.000 7.944 ( 0.000 0.000 0.000) 0.000 8.028 ( -0.000 0.000 0.000) 0.000 8.166 ( 0.000 0.000 0.000) 0.000 8.247 ( 0.000 0.000 0.000) 0.000 8.478 ( 0.000 0.000 0.000) 0.000 8.623 ( 0.000 0.000 0.000) 0.000 8.710 ( 0.000 0.000 0.000) 0.000 8.762 ( 0.000 0.000 0.000) 0.000 9.287 ( 0.000 0.000 0.000) 0.000 9.633 ( 0.000 0.000 0.000) 0.000 9.675 ( 0.000 0.000 0.000) 0.000 9.718 ( 0.000 0.000 0.000) 0.000 10.679 ( 0.000 0.000 0.000) 0.000 10.817 ( 0.000 0.000 0.000) 0.000 10.926 ( -0.000 0.000 0.000) 0.000 11.194 ( 0.000 0.000 0.000) 0.000 11.336 ( 0.000 0.000 -0.000) 0.000 11.602 ( 0.000 0.000 0.000) 0.000 11.628 ( 0.000 0.000 0.000) 0.000 11.684 ( 0.000 0.000 0.000) 0.000 12.470 ( 0.000 0.000 0.000) 0.000 12.471 ( 0.000 0.000 0.000) 0.000 12.763 ( 0.000 0.000 0.000) 0.000 13.012 ( 0.000 0.000 0.000) 0.000 13.413 ( 0.000 0.000 0.000) 0.000 14.229 ( 0.000 0.000 0.000) 0.000 14.405 ( 0.000 0.000 0.000) 0.000 14.525 ( 0.000 0.000 0.000) 0.000 21.494 ( 0.000 0.000 -0.000) 0.000 21.584 ( 0.000 0.000 0.000) 0.000 21.619 ( 0.000 0.000 0.000) 0.000 21.663 ( 0.000 0.000 0.000) 0.000 23.226 ( 0.000 0.000 0.000) 0.000 23.395 ( 0.000 0.000 0.000) 0.000 23.590 ( 0.000 0.000 -0.000) 0.000 23.712 ( 0.000 0.000 0.000) 0.000 23.810 ( 0.000 0.000 0.000) 0.000 23.916 ( -0.000 0.000 0.000) 0.000 24.013 ( 0.000 0.000 0.000) 0.000 24.101 ( 0.000 0.000 0.000) 0.000 24.766 ( 0.000 0.000 0.000) 0.000 24.835 ( 0.000 0.000 0.000) 0.000 24.887 ( 0.000 0.000 -0.000) 0.000 24.934 ( -0.000 0.000 0.000) 0.000 25.791 ( 0.000 0.000 0.000) 0.000 26.045 ( 0.000 0.000 0.000) 0.000 26.070 ( 0.000 0.000 0.000) 0.000 26.978 ( 0.000 0.000 0.000) 0.000 27.592 ( 0.000 0.000 0.000) 0.000 27.645 ( 0.000 0.000 0.000) 0.000 27.664 ( 0.000 0.000 -0.000) 0.000 27.738 ( 0.000 0.000 0.000) 0.000 29.300 ( 0.000 0.000 0.000) 0.000 29.566 ( 0.000 0.000 0.000) 0.000 30.103 ( 0.000 0.000 0.000) 0.000 30.545 ( 0.000 0.000 0.000) 0.000 47.642 ( 0.000 0.000 0.000) 0.000 47.671 ( 0.000 0.000 0.000) 0.000 47.961 ( 0.000 0.000 0.000) 0.000 48.112 ( 0.000 0.000 0.000) 0.000 88.763 ( 0.000 0.000 0.000) 0.000 88.864 ( 0.000 0.000 0.000) 0.000 89.211 ( 0.000 0.000 -0.000) 0.000 90.298 ( 0.000 0.000 0.000) 0.000 90.547 ( 0.000 0.000 0.000) 0.000 90.613 ( 0.000 0.000 0.000) 0.000 90.766 ( 0.000 0.000 0.000) 0.000 91.137 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/116) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.325 ( 0.000 18.696 0.000) 18.696 0.466 ( 0.000 24.377 0.000) 24.377 0.784 ( 0.000 39.587 0.000) 39.587 1.624 ( 0.000 -0.904 0.000) 0.904 1.826 ( 0.000 -7.851 0.000) 7.851 1.853 ( 0.000 -2.060 0.000) 2.060 1.956 ( 0.000 12.255 0.000) 12.255 2.058 ( 0.000 -5.840 0.000) 5.840 2.172 ( 0.000 2.467 0.000) 2.467 2.312 ( 0.000 0.734 0.000) 0.734 2.542 ( 0.000 2.163 0.000) 2.163 2.560 ( 0.000 -0.656 0.000) 0.656 2.768 ( 0.000 1.207 0.000) 1.207 2.894 ( 0.000 -2.442 0.000) 2.442 3.118 ( 0.000 -7.176 0.000) 7.176 3.169 ( 0.000 -1.911 0.000) 1.911 3.321 ( 0.000 -3.931 0.000) 3.931 3.403 ( 0.000 8.344 0.000) 8.344 3.485 ( 0.000 4.469 0.000) 4.469 3.664 ( 0.000 1.295 0.000) 1.295 3.816 ( 0.000 -0.725 0.000) 0.725 3.904 ( 0.000 -1.126 0.000) 1.126 3.952 ( 0.000 8.860 0.000) 8.860 4.226 ( 0.000 -0.276 0.000) 0.276 4.645 ( 0.000 -16.131 0.000) 16.131 4.647 ( 0.000 -9.521 0.000) 9.521 4.782 ( 0.000 -0.312 0.000) 0.312 4.918 ( 0.000 -0.325 0.000) 0.325 5.261 ( 0.000 8.616 0.000) 8.616 5.417 ( 0.000 3.430 0.000) 3.430 5.713 ( 0.000 10.550 0.000) 10.550 5.798 ( 0.000 12.644 0.000) 12.644 6.330 ( 0.000 -4.201 0.000) 4.201 6.381 ( 0.000 -1.095 0.000) 1.095 6.546 ( 0.000 -8.034 0.000) 8.034 7.087 ( 0.000 -2.464 0.000) 2.464 7.537 ( 0.000 -1.066 0.000) 1.066 7.721 ( 0.000 -0.293 0.000) 0.293 7.734 ( 0.000 0.401 0.000) 0.401 8.092 ( 0.000 -6.043 0.000) 6.043 8.125 ( 0.000 -2.485 0.000) 2.485 8.185 ( 0.000 -4.779 0.000) 4.779 8.249 ( 0.000 0.398 0.000) 0.398 8.343 ( 0.000 1.874 0.000) 1.874 8.516 ( 0.000 1.389 0.000) 1.389 8.540 ( 0.000 3.411 0.000) 3.411 8.652 ( 0.000 -2.366 0.000) 2.366 8.909 ( 0.000 2.047 0.000) 2.047 9.212 ( 0.000 3.816 0.000) 3.816 9.458 ( 0.000 -6.966 0.000) 6.966 9.601 ( 0.000 -0.709 0.000) 0.709 9.806 ( 0.000 -5.242 0.000) 5.242 10.799 ( 0.000 1.549 0.000) 1.549 11.027 ( 0.000 -1.997 0.000) 1.997 11.119 ( 0.000 0.745 0.000) 0.745 11.263 ( 0.000 2.075 0.000) 2.075 11.280 ( 0.000 -1.340 0.000) 1.340 11.384 ( 0.000 -0.071 0.000) 0.071 11.620 ( 0.000 0.821 0.000) 0.821 11.644 ( 0.000 0.829 0.000) 0.829 12.135 ( 0.000 3.915 0.000) 3.915 12.697 ( 0.000 -3.289 0.000) 3.289 12.988 ( 0.000 1.316 0.000) 1.316 13.152 ( 0.000 -1.087 0.000) 1.087 13.593 ( 0.000 0.345 0.000) 0.345 13.686 ( 0.000 -1.561 0.000) 1.561 14.094 ( 0.000 1.809 0.000) 1.809 14.277 ( 0.000 -0.124 0.000) 0.124 21.456 ( 0.000 0.218 0.000) 0.218 21.485 ( 0.000 -0.121 0.000) 0.121 21.585 ( 0.000 1.438 0.000) 1.438 21.877 ( 0.000 -1.981 0.000) 1.981 23.250 ( 0.000 2.643 0.000) 2.643 23.479 ( 0.000 1.282 0.000) 1.282 23.556 ( 0.000 -0.970 0.000) 0.970 23.703 ( 0.000 -1.774 0.000) 1.774 23.711 ( 0.000 0.546 0.000) 0.546 23.815 ( 0.000 -1.045 0.000) 1.045 24.113 ( 0.000 4.023 0.000) 4.023 24.595 ( 0.000 -3.450 0.000) 3.450 24.685 ( 0.000 0.656 0.000) 0.656 24.736 ( 0.000 -0.828 0.000) 0.828 24.923 ( 0.000 2.225 0.000) 2.225 25.165 ( 0.000 -0.344 0.000) 0.344 25.948 ( 0.000 0.145 0.000) 0.145 26.014 ( 0.000 -0.681 0.000) 0.681 26.228 ( 0.000 1.619 0.000) 1.619 26.465 ( 0.000 -1.257 0.000) 1.257 27.522 ( 0.000 1.502 0.000) 1.502 27.641 ( 0.000 0.008 0.000) 0.008 27.706 ( 0.000 0.556 0.000) 0.556 27.756 ( 0.000 -0.171 0.000) 0.171 29.361 ( 0.000 0.958 0.000) 0.958 29.540 ( 0.000 -0.846 0.000) 0.846 30.184 ( 0.000 0.553 0.000) 0.553 30.514 ( 0.000 -2.941 0.000) 2.941 47.822 ( 0.000 0.260 0.000) 0.260 47.916 ( 0.000 -0.792 0.000) 0.792 47.925 ( 0.000 0.050 0.000) 0.050 47.938 ( 0.000 -0.075 0.000) 0.075 88.776 ( 0.000 1.781 0.000) 1.781 88.948 ( 0.000 1.256 0.000) 1.256 89.276 ( 0.000 -7.523 0.000) 7.523 89.403 ( 0.000 -2.521 0.000) 2.521 90.290 ( 0.000 1.064 0.000) 1.064 90.321 ( 0.000 1.809 0.000) 1.809 91.051 ( 0.000 13.790 0.000) 13.790 92.435 ( 0.000 -5.413 0.000) 5.413 ======================= Grid point 10 (7/116) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 8.561 17.214 4.452) 19.734 0.668 ( 11.218 19.146 11.795) 25.130 1.101 ( 21.141 20.685 25.494) 39.048 1.659 ( 2.158 -0.149 2.924) 3.637 1.831 ( -1.946 -1.635 -1.080) 2.761 1.873 ( -0.228 -8.691 0.864) 8.737 1.969 ( -2.172 5.678 1.194) 6.195 2.083 ( 1.952 -1.882 1.010) 2.893 2.107 ( 1.700 1.397 -3.798) 4.389 2.335 ( 1.852 2.892 2.038) 3.994 2.481 ( -2.724 2.896 0.344) 3.991 2.648 ( 2.221 -3.953 4.416) 6.329 2.742 ( -3.259 0.430 0.077) 3.288 2.873 ( -6.298 -3.658 -2.739) 7.781 2.963 ( -3.139 1.649 -1.468) 3.837 3.227 ( 1.228 -4.160 1.383) 4.553 3.341 ( -2.299 -4.182 3.706) 6.042 3.377 ( 2.041 7.478 -4.045) 8.743 3.499 ( -1.275 1.819 -0.818) 2.367 3.653 ( -0.734 3.006 0.914) 3.227 3.828 ( 3.311 1.780 2.603) 4.572 3.883 ( 0.039 0.780 -1.069) 1.324 3.943 ( -0.194 9.808 -1.925) 9.997 4.245 ( -1.502 0.369 -1.754) 2.338 4.396 ( 1.503 2.895 1.110) 3.445 4.528 ( -9.997 -11.062 -2.030) 15.047 4.868 ( 1.346 -0.311 -1.364) 1.942 5.132 ( 7.243 -14.918 -7.785) 18.320 5.268 ( -0.842 4.327 4.195) 6.086 5.443 ( 4.044 1.346 0.560) 4.299 5.743 ( 3.336 10.818 -0.589) 11.336 5.839 ( 6.031 11.654 -4.213) 13.782 6.309 ( -4.264 -2.167 -0.821) 4.853 6.384 ( -0.035 -7.834 3.043) 8.405 6.625 ( 4.828 -3.919 1.681) 6.442 7.042 ( -2.976 -2.928 -4.044) 5.812 7.535 ( -0.363 -0.458 0.597) 0.835 7.721 ( -0.935 -1.583 1.081) 2.133 7.753 ( 2.348 0.214 0.050) 2.358 8.049 ( -1.981 -3.667 -4.486) 6.123 8.108 ( -3.465 -2.193 -4.679) 6.222 8.111 ( -1.902 -3.387 -0.418) 3.907 8.241 ( -1.218 0.373 0.834) 1.522 8.331 ( 0.034 0.525 -3.220) 3.263 8.495 ( -0.549 1.748 -2.138) 2.816 8.529 ( -0.424 4.019 -1.365) 4.265 8.654 ( 0.568 -2.963 1.361) 3.310 8.885 ( -2.377 1.634 -0.482) 2.924 9.225 ( 1.340 3.898 1.098) 4.266 9.471 ( 0.818 -7.277 0.577) 7.346 9.622 ( 0.497 -0.748 2.345) 2.511 9.791 ( -1.674 -4.871 0.413) 5.167 10.788 ( -0.818 2.378 -0.783) 2.634 10.905 ( -1.508 4.684 -12.308) 13.256 11.052 ( -2.053 2.131 -0.452) 2.993 11.235 ( -1.378 2.540 -1.308) 3.173 11.373 ( -0.390 -1.788 2.532) 3.124 11.397 ( 3.089 -1.639 4.748) 5.897 11.535 ( -2.390 2.658 -0.440) 3.601 11.658 ( 0.483 1.200 0.523) 1.395 12.154 ( 2.583 3.422 0.929) 4.387 12.627 ( -3.842 -1.383 -4.325) 5.948 12.935 ( 1.135 3.779 -0.095) 3.947 13.123 ( -3.226 -1.146 -1.545) 3.756 13.515 ( -1.269 2.360 0.011) 2.680 14.078 ( 2.660 -5.569 3.489) 7.090 14.218 ( 5.576 -11.449 13.829) 18.799 14.334 ( 4.140 -5.090 9.439) 11.496 21.428 ( 0.101 1.306 -0.988) 1.641 21.566 ( 7.595 -4.447 -8.134) 11.984 21.581 ( -0.266 0.356 0.640) 0.779 21.867 ( -0.612 -1.814 -1.166) 2.242 23.250 ( -0.126 2.816 0.112) 2.821 23.409 ( -2.658 2.994 -1.597) 4.311 23.600 ( 3.739 -0.728 -0.475) 3.838 23.726 ( 0.235 0.241 1.824) 1.855 23.729 ( 2.111 -2.057 1.991) 3.557 23.827 ( -0.742 -2.213 -0.171) 2.340 24.079 ( -1.777 4.258 -2.376) 5.190 24.495 ( -9.661 1.687 -5.003) 11.010 24.713 ( 0.874 0.129 4.143) 4.236 24.740 ( 0.957 -0.590 -0.646) 1.296 24.858 ( -10.964 6.333 6.085) 14.048 24.940 ( -5.444 5.687 2.437) 8.242 25.913 ( -3.527 0.056 -0.135) 3.531 25.981 ( -0.634 -2.047 -1.711) 2.742 26.185 ( 0.956 6.473 0.848) 6.598 26.754 ( 10.177 -9.586 3.286) 14.361 27.597 ( 4.894 -2.696 -1.251) 5.726 27.637 ( -0.176 -0.139 -0.178) 0.286 27.703 ( -0.672 0.476 0.467) 0.946 27.758 ( 0.222 0.018 -0.176) 0.284 29.372 ( -4.890 -0.412 7.972) 9.361 29.543 ( -0.590 -0.936 1.415) 1.796 30.175 ( -1.179 0.825 0.276) 1.466 30.515 ( -0.126 -2.809 0.401) 2.840 47.768 ( -5.311 2.713 -1.470) 6.142 47.783 ( -5.314 2.346 -0.840) 5.869 47.940 ( 2.005 0.900 -1.528) 2.677 47.989 ( 3.261 0.017 0.914) 3.387 88.729 ( -1.020 -0.192 -0.609) 1.204 88.906 ( -0.823 4.391 -0.354) 4.482 89.292 ( -1.895 -6.752 -0.226) 7.017 89.849 ( 19.013 -29.513 19.238) 40.033 90.316 ( 1.710 0.856 0.345) 1.943 90.336 ( 2.626 1.967 0.771) 3.371 91.035 ( -1.933 13.608 0.196) 13.746 91.954 ( -33.797 23.767 -2.043) 41.368 ======================= Grid point 11 (8/116) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 10.010 10.067 6.616) 15.663 0.918 ( 4.586 19.962 13.965) 24.790 1.567 ( 4.222 1.249 8.802) 9.842 1.731 ( -4.588 2.057 -1.865) 5.363 1.792 ( -8.025 -2.150 -4.033) 9.235 1.853 ( 8.528 5.243 5.488) 11.416 1.909 ( 2.756 -11.875 7.278) 14.198 2.068 ( 4.015 10.243 0.069) 11.002 2.251 ( 0.347 3.312 -1.791) 3.781 2.397 ( -6.526 -1.752 -0.323) 6.765 2.462 ( 8.953 -0.167 13.036) 15.815 2.646 ( -2.851 -3.527 -2.131) 5.011 2.692 ( 0.955 -3.323 1.116) 3.633 2.825 ( 1.903 1.702 2.770) 3.767 2.989 ( 0.353 -0.400 4.841) 4.871 3.204 ( -2.074 -2.825 -6.139) 7.069 3.318 ( 0.224 -1.826 0.811) 2.011 3.410 ( 1.218 -0.916 1.673) 2.263 3.458 ( -0.281 -2.607 -0.295) 2.639 3.706 ( 1.440 6.278 4.773) 8.017 3.787 ( -3.526 0.433 -3.574) 5.039 3.920 ( 0.102 11.319 -1.733) 11.452 4.015 ( 8.140 3.563 4.302) 9.872 4.212 ( -1.493 -4.868 0.812) 5.156 4.345 ( -7.341 -6.103 -2.910) 9.980 4.521 ( 6.675 3.806 2.320) 8.026 4.839 ( -2.875 4.834 -0.546) 5.650 5.024 ( -5.215 -8.478 -12.520) 15.994 5.317 ( 1.778 0.743 3.769) 4.233 5.549 ( 7.891 -3.911 -0.186) 8.809 5.758 ( 0.271 9.929 -2.938) 10.358 5.913 ( 7.076 10.372 -2.962) 12.900 6.220 ( -5.339 -2.206 -0.474) 5.797 6.413 ( 0.927 -5.927 1.595) 6.207 6.685 ( 1.138 1.105 0.836) 1.793 6.920 ( -5.364 -3.659 -6.078) 8.894 7.548 ( 0.610 -0.109 2.143) 2.231 7.716 ( -0.552 -2.346 0.598) 2.483 7.786 ( 1.155 -0.402 -0.718) 1.418 7.954 ( -3.178 -4.342 -5.825) 7.930 8.003 ( -3.167 -1.915 -4.878) 6.123 8.073 ( -1.487 -2.348 -1.742) 3.280 8.231 ( -1.202 0.139 0.837) 1.472 8.280 ( -1.940 -0.129 -2.987) 3.564 8.477 ( 1.015 0.515 -1.691) 2.039 8.524 ( 1.645 3.454 -1.442) 4.089 8.681 ( 0.266 -3.958 1.839) 4.372 8.837 ( -2.561 1.288 -0.413) 2.896 9.269 ( 2.050 3.973 1.385) 4.680 9.493 ( 1.447 -7.324 0.154) 7.468 9.653 ( 0.365 -0.494 2.347) 2.426 9.761 ( -2.670 -3.975 0.654) 4.833 10.761 ( -1.230 3.881 -1.398) 4.304 10.822 ( 2.552 0.713 -7.943) 8.373 11.008 ( -3.255 1.112 0.048) 3.440 11.213 ( -0.229 2.412 -0.473) 2.468 11.357 ( -1.029 -0.903 -0.966) 1.676 11.505 ( 2.674 -2.956 5.187) 6.542 11.535 ( 0.421 0.606 2.251) 2.369 11.672 ( 0.560 0.525 0.308) 0.827 12.239 ( 5.526 2.894 2.919) 6.887 12.538 ( -2.190 -0.148 -3.324) 3.983 12.969 ( 1.676 0.745 0.612) 1.933 13.023 ( -5.869 -0.492 -3.409) 6.805 13.494 ( -1.891 2.892 0.451) 3.485 14.130 ( 1.039 -2.793 3.419) 4.535 14.317 ( 0.932 -2.270 4.816) 5.405 14.476 ( 0.301 -7.250 7.235) 10.247 21.437 ( 1.908 -0.192 -0.590) 2.006 21.555 ( 0.833 1.304 -3.880) 4.177 21.595 ( 1.835 -3.626 -2.795) 4.932 21.827 ( -2.254 -1.464 -2.722) 3.826 23.245 ( -0.433 2.368 -0.089) 2.409 23.392 ( 0.954 2.099 0.190) 2.313 23.665 ( 3.522 -0.627 1.399) 3.841 23.733 ( -2.532 -0.206 -1.821) 3.125 23.748 ( -1.800 -1.747 0.502) 2.558 23.824 ( 2.725 -0.269 2.326) 3.593 24.040 ( -0.535 3.801 -1.338) 4.065 24.293 ( -9.021 1.885 -2.838) 9.643 24.751 ( 1.201 -0.333 -0.643) 1.402 24.776 ( -1.685 -0.611 8.299) 8.490 24.835 ( -0.226 1.303 4.624) 4.810 24.909 ( -1.232 2.198 0.054) 2.520 25.850 ( -3.569 -0.229 -0.307) 3.590 25.957 ( -0.383 -4.090 -1.939) 4.542 26.217 ( 1.552 8.078 0.303) 8.231 26.875 ( 4.061 -4.449 1.388) 6.182 27.614 ( -0.951 0.122 0.384) 1.033 27.643 ( 1.865 -1.140 -2.295) 3.170 27.694 ( -1.044 0.573 0.614) 1.340 27.756 ( -0.049 0.494 -0.537) 0.731 29.353 ( -4.680 0.230 4.751) 6.673 29.547 ( -0.969 -1.222 2.026) 2.557 30.155 ( -1.647 1.547 0.565) 2.329 30.518 ( -0.078 -2.500 0.574) 2.567 47.697 ( -2.775 1.632 0.319) 3.235 47.713 ( -3.424 0.827 -0.108) 3.524 47.957 ( 1.848 1.376 -1.348) 2.669 48.050 ( 3.108 -0.239 0.424) 3.146 88.733 ( 0.628 -1.253 0.802) 1.615 88.900 ( -0.233 4.199 0.386) 4.223 89.243 ( -3.096 -5.613 -1.014) 6.490 90.165 ( 6.705 -25.233 6.905) 27.007 90.336 ( 1.645 3.034 -0.815) 3.547 90.428 ( 5.440 -2.223 2.201) 6.275 90.998 ( -2.772 13.313 0.372) 13.603 91.542 ( -18.862 21.470 2.637) 28.700 ======================= Grid point 12 (9/116) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 7.464 8.368 5.263) 12.387 1.079 ( 0.336 15.035 10.462) 18.320 1.552 ( -7.023 2.815 -1.144) 7.653 1.602 ( -5.417 1.242 -0.156) 5.560 1.710 ( 2.848 -3.969 -4.985) 6.980 1.838 ( -3.712 -1.149 -1.547) 4.182 1.963 ( -4.921 0.537 -1.052) 5.061 2.138 ( -1.740 -2.425 0.663) 3.058 2.301 ( 5.180 3.182 3.977) 7.264 2.369 ( 1.859 1.356 2.438) 3.352 2.586 ( -1.446 -4.608 -0.069) 4.830 2.750 ( 2.371 -0.716 4.499) 5.136 2.806 ( 10.874 -1.136 8.437) 13.810 2.891 ( 2.386 1.111 3.187) 4.134 3.058 ( 3.006 -3.041 3.812) 5.729 3.114 ( -1.399 -1.110 -1.550) 2.365 3.344 ( 1.662 -3.608 -0.080) 3.973 3.422 ( -1.750 -2.047 1.847) 3.265 3.497 ( 4.103 -2.366 0.400) 4.753 3.671 ( -3.808 -2.963 -3.686) 6.072 3.781 ( -0.258 8.274 5.131) 9.739 3.910 ( -0.469 12.438 -1.690) 12.561 4.118 ( 1.203 -4.699 0.285) 4.859 4.245 ( 5.172 -0.686 2.784) 5.914 4.270 ( -0.351 1.949 -0.243) 1.995 4.596 ( -0.947 1.669 -2.063) 2.818 4.787 ( -3.256 4.377 0.434) 5.472 4.799 ( -5.084 -1.242 -9.036) 10.443 5.386 ( 2.281 -0.240 3.001) 3.777 5.664 ( 3.892 -4.951 -0.892) 6.361 5.723 ( 1.925 7.089 -2.872) 7.887 5.982 ( 3.845 6.295 -2.484) 7.784 6.139 ( -4.015 2.288 0.304) 4.631 6.440 ( 0.991 -4.059 0.066) 4.179 6.688 ( -1.019 2.677 0.415) 2.894 6.782 ( -4.344 -2.890 -4.035) 6.596 7.595 ( 1.622 -0.476 3.454) 3.846 7.714 ( -0.266 -2.203 -0.590) 2.296 7.760 ( -1.793 -0.257 -2.091) 2.766 7.858 ( -2.176 -5.169 -3.851) 6.803 7.921 ( -1.719 -3.124 -3.353) 4.895 8.040 ( -0.411 -0.562 -1.499) 1.653 8.203 ( -2.166 0.613 -0.545) 2.316 8.243 ( -0.304 -0.348 -0.491) 0.674 8.488 ( 0.940 0.465 -0.292) 1.089 8.555 ( 3.639 0.078 -1.053) 3.789 8.687 ( -1.457 -3.772 1.133) 4.199 8.803 ( -1.172 1.810 -0.198) 2.165 9.304 ( 0.858 3.190 0.746) 3.386 9.521 ( 1.747 -7.116 0.105) 7.328 9.678 ( 0.292 -0.532 1.494) 1.612 9.722 ( -2.520 -2.704 0.333) 3.711 10.725 ( -0.891 3.243 -1.794) 3.812 10.810 ( 2.641 -0.227 -3.989) 4.789 10.954 ( -3.210 0.411 0.274) 3.248 11.212 ( 0.203 2.207 -0.017) 2.216 11.332 ( -0.875 -1.465 -0.630) 1.819 11.568 ( 0.983 -2.116 2.141) 3.167 11.582 ( 1.455 -1.020 2.924) 3.422 11.678 ( 0.237 -0.431 -0.466) 0.678 12.378 ( 6.857 1.848 3.731) 8.022 12.492 ( -0.683 0.556 -1.605) 1.830 12.878 ( -6.888 0.573 -3.895) 7.933 12.993 ( 0.778 -0.694 0.281) 1.079 13.466 ( -1.745 3.723 0.285) 4.122 14.175 ( 0.786 -3.527 2.360) 4.316 14.370 ( 0.654 -1.077 3.201) 3.440 14.512 ( -0.671 -2.607 2.246) 3.506 21.471 ( 2.070 -1.908 -0.408) 2.845 21.544 ( 1.839 1.983 -1.101) 2.920 21.593 ( 0.333 -2.828 -0.839) 2.968 21.743 ( -3.999 -0.944 -3.642) 5.491 23.237 ( -0.310 1.547 -0.153) 1.585 23.425 ( 1.974 3.465 0.839) 4.075 23.634 ( -3.576 -0.754 -3.308) 4.930 23.715 ( -0.631 -0.708 1.353) 1.652 23.760 ( 2.147 0.542 1.788) 2.846 23.892 ( 2.270 -1.032 1.458) 2.889 24.029 ( -0.119 2.491 -0.539) 2.551 24.155 ( -5.056 0.358 -1.777) 5.371 24.762 ( 0.479 -0.132 0.052) 0.499 24.814 ( -1.431 -0.630 5.132) 5.365 24.889 ( 3.735 -0.049 -4.291) 5.688 24.898 ( -2.256 0.115 6.517) 6.898 25.801 ( -2.073 -0.582 -0.141) 2.158 25.931 ( -0.499 -5.561 -1.667) 5.827 26.235 ( 0.603 9.674 -0.087) 9.693 26.935 ( 2.171 -2.664 0.815) 3.532 27.601 ( -0.893 0.416 0.414) 1.069 27.646 ( 0.775 -0.242 -1.282) 1.518 27.683 ( -0.812 0.978 0.302) 1.306 27.749 ( -0.194 0.629 -0.443) 0.793 29.324 ( -2.703 0.908 1.996) 3.480 29.550 ( -0.788 -1.531 1.435) 2.241 30.136 ( -1.152 2.340 0.437) 2.645 30.523 ( 0.018 -2.207 0.413) 2.245 47.660 ( -1.848 0.223 -0.116) 1.865 47.679 ( -1.228 0.607 0.585) 1.490 47.972 ( 1.178 1.581 -0.798) 2.127 48.093 ( 1.749 -0.388 0.165) 1.799 88.751 ( 0.510 -0.491 0.642) 0.956 88.904 ( 0.266 4.327 0.374) 4.351 89.185 ( -2.596 -5.150 -0.787) 5.821 90.273 ( 2.096 -18.999 2.558) 19.285 90.357 ( 1.862 3.443 -0.819) 3.999 90.518 ( 3.439 -3.149 0.671) 4.711 90.960 ( -2.013 13.511 0.309) 13.664 91.348 ( -8.831 14.246 2.209) 16.906 ======================= Grid point 13 (10/116) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 0.000 15.762 0.000) 15.762 1.134 ( 0.000 4.566 -0.000) 4.566 1.475 ( 0.000 3.676 0.000) 3.676 1.552 ( 0.000 -0.078 0.000) 0.078 1.733 ( -0.000 -1.261 0.000) 1.261 1.758 ( 0.000 -3.702 -0.000) 3.702 1.910 ( 0.000 4.127 0.000) 4.127 2.162 ( -0.000 -2.529 -0.000) 2.529 2.303 ( 0.000 -3.649 0.000) 3.649 2.419 ( 0.000 2.958 -0.000) 2.958 2.586 ( 0.000 -3.152 -0.000) 3.152 2.794 ( 0.000 0.170 0.000) 0.170 2.896 ( 0.000 -1.743 -0.000) 1.743 2.947 ( 0.000 0.374 0.000) 0.374 3.059 ( 0.000 -0.671 0.000) 0.671 3.195 ( 0.000 -5.599 0.000) 5.599 3.375 ( 0.000 1.377 0.000) 1.377 3.397 ( 0.000 -4.807 0.000) 4.807 3.556 ( 0.000 -4.527 0.000) 4.527 3.601 ( -0.000 -2.229 -0.000) 2.229 3.809 ( 0.000 6.823 -0.000) 6.823 3.875 ( 0.000 12.925 0.000) 12.925 4.152 ( 0.000 -8.899 -0.000) 8.899 4.244 ( -0.000 8.849 0.000) 8.849 4.394 ( 0.000 5.370 0.000) 5.370 4.449 ( -0.000 -8.955 -0.000) 8.955 4.753 ( -0.000 3.917 0.000) 3.917 4.758 ( 0.000 5.426 -0.000) 5.426 5.428 ( 0.000 -0.102 0.000) 0.102 5.649 ( 0.000 3.213 0.000) 3.213 5.768 ( 0.000 -3.433 0.000) 3.433 5.989 ( -0.000 0.725 0.000) 0.725 6.111 ( 0.000 9.546 0.000) 9.546 6.444 ( 0.000 -4.303 0.000) 4.303 6.681 ( 0.000 2.834 0.000) 2.834 6.725 ( -0.000 -1.826 0.000) 1.826 7.658 ( 0.000 -4.067 0.000) 4.067 7.666 ( -0.000 2.959 -0.000) 2.959 7.746 ( 0.000 -2.498 0.000) 2.498 7.818 ( 0.000 -3.851 0.000) 3.851 7.889 ( 0.000 -4.605 0.000) 4.605 8.030 ( 0.000 0.122 0.000) 0.122 8.180 ( 0.000 1.282 0.000) 1.282 8.240 ( 0.000 -0.808 0.000) 0.808 8.494 ( 0.000 0.872 0.000) 0.872 8.593 ( -0.000 -2.496 0.000) 2.496 8.671 ( 0.000 -2.863 0.000) 2.863 8.793 ( 0.000 2.260 0.000) 2.260 9.313 ( 0.000 2.356 0.000) 2.356 9.539 ( 0.000 -6.907 0.000) 6.907 9.688 ( 0.000 -0.732 -0.000) 0.732 9.700 ( 0.000 -1.865 0.000) 1.865 10.708 ( 0.000 2.905 0.000) 2.905 10.816 ( 0.000 -0.074 -0.000) 0.074 10.925 ( 0.000 0.063 -0.000) 0.063 11.215 ( 0.000 2.126 -0.000) 2.126 11.322 ( -0.000 -1.762 -0.000) 1.762 11.588 ( 0.000 -2.542 0.000) 2.542 11.612 ( 0.000 -0.646 0.000) 0.646 11.675 ( 0.000 -1.012 -0.000) 1.012 12.477 ( -0.000 0.676 0.000) 0.676 12.479 ( 0.000 0.799 -0.000) 0.799 12.779 ( 0.000 1.676 0.000) 1.676 13.001 ( 0.000 -1.147 -0.000) 1.147 13.452 ( 0.000 4.109 -0.000) 4.109 14.194 ( 0.000 -3.913 0.000) 3.913 14.393 ( 0.000 -0.924 0.000) 0.924 14.516 ( 0.000 -1.023 0.000) 1.023 21.481 ( 0.000 -1.367 -0.000) 1.367 21.586 ( 0.000 0.409 -0.000) 0.409 21.591 ( -0.000 -2.749 0.000) 2.749 21.663 ( 0.000 -0.051 0.000) 0.051 23.234 ( 0.000 1.267 0.000) 1.267 23.451 ( 0.000 5.125 0.000) 5.125 23.584 ( 0.000 -1.157 0.000) 1.157 23.708 ( 0.000 0.014 0.000) 0.014 23.801 ( 0.000 -0.911 0.000) 0.911 23.915 ( -0.000 -0.430 0.000) 0.430 24.022 ( 0.000 1.096 0.000) 1.096 24.106 ( 0.000 0.613 -0.000) 0.613 24.766 ( 0.000 0.060 -0.000) 0.060 24.829 ( -0.000 -0.616 0.000) 0.616 24.886 ( 0.000 -0.136 -0.000) 0.136 24.926 ( -0.000 -0.857 0.000) 0.857 25.783 ( 0.000 -0.758 -0.000) 0.758 25.916 ( 0.000 -6.115 0.000) 6.115 26.239 ( 0.000 10.294 0.000) 10.294 26.958 ( 0.000 -2.245 0.000) 2.245 27.596 ( 0.000 0.424 0.000) 0.424 27.646 ( -0.000 0.018 0.000) 0.018 27.677 ( 0.000 1.270 -0.000) 1.270 27.744 ( 0.000 0.589 0.000) 0.589 29.311 ( 0.000 1.169 0.000) 1.169 29.550 ( 0.000 -1.662 0.000) 1.662 30.129 ( 0.000 2.676 0.000) 2.676 30.526 ( 0.000 -2.090 0.000) 2.090 47.644 ( 0.000 0.243 0.000) 0.243 47.673 ( -0.000 0.143 -0.000) 0.143 47.977 ( -0.000 1.654 0.000) 1.654 48.108 ( 0.000 -0.438 0.000) 0.438 88.759 ( 0.000 -0.034 0.000) 0.034 88.910 ( 0.000 4.634 0.000) 4.634 89.157 ( 0.000 -5.211 -0.000) 5.211 90.300 ( 0.000 -15.878 0.000) 15.878 90.371 ( 0.000 1.665 0.000) 1.665 90.549 ( 0.000 -2.467 0.000) 2.467 90.945 ( -0.000 13.901 0.000) 13.901 91.288 ( 0.000 11.278 0.000) 11.278 ======================= Grid point 18 (11/116) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 0.000 20.218 0.000) 20.218 0.900 ( 0.000 21.716 0.000) 21.716 1.376 ( 0.000 16.095 0.000) 16.095 1.645 ( 0.000 8.023 0.000) 8.023 1.695 ( 0.000 -4.967 0.000) 4.967 1.776 ( 0.000 -6.089 0.000) 6.089 1.908 ( 0.000 -8.898 0.000) 8.898 2.175 ( 0.000 4.578 0.000) 4.578 2.223 ( 0.000 6.965 0.000) 6.965 2.340 ( 0.000 2.027 0.000) 2.027 2.561 ( 0.000 0.647 0.000) 0.647 2.596 ( 0.000 3.002 0.000) 3.002 2.786 ( 0.000 1.293 0.000) 1.293 2.835 ( 0.000 -2.931 0.000) 2.931 3.002 ( 0.000 -4.438 0.000) 4.438 3.117 ( 0.000 -3.666 0.000) 3.666 3.313 ( 0.000 3.912 0.000) 3.912 3.550 ( 0.000 5.764 0.000) 5.764 3.570 ( 0.000 4.642 0.000) 4.642 3.657 ( 0.000 -1.138 0.000) 1.138 3.811 ( 0.000 -1.566 0.000) 1.566 3.918 ( 0.000 4.664 0.000) 4.664 4.116 ( 0.000 7.292 0.000) 7.292 4.184 ( 0.000 -6.331 0.000) 6.331 4.323 ( 0.000 -15.264 0.000) 15.264 4.465 ( 0.000 -9.463 0.000) 9.463 4.780 ( 0.000 0.028 0.000) 0.028 4.867 ( 0.000 -3.945 0.000) 3.945 5.449 ( 0.000 11.114 0.000) 11.114 5.541 ( 0.000 8.488 0.000) 8.488 5.921 ( 0.000 11.067 0.000) 11.067 6.075 ( 0.000 14.326 0.000) 14.326 6.237 ( 0.000 -3.567 0.000) 3.567 6.347 ( 0.000 -2.593 0.000) 2.593 6.352 ( 0.000 -11.826 0.000) 11.826 6.995 ( 0.000 -7.879 0.000) 7.879 7.529 ( 0.000 0.919 0.000) 0.919 7.722 ( 0.000 0.433 0.000) 0.433 7.740 ( 0.000 0.137 0.000) 0.137 8.001 ( 0.000 -3.472 0.000) 3.472 8.016 ( 0.000 -12.285 0.000) 12.285 8.065 ( 0.000 -3.610 0.000) 3.610 8.260 ( 0.000 0.734 0.000) 0.734 8.346 ( 0.000 -1.521 0.000) 1.521 8.550 ( 0.000 2.950 0.000) 2.950 8.599 ( 0.000 2.364 0.000) 2.364 8.667 ( 0.000 3.486 0.000) 3.486 8.957 ( 0.000 1.871 0.000) 1.871 9.293 ( 0.000 4.659 0.000) 4.659 9.327 ( 0.000 -5.245 0.000) 5.245 9.562 ( 0.000 -3.335 0.000) 3.335 9.674 ( 0.000 -8.537 0.000) 8.537 10.837 ( 0.000 2.356 0.000) 2.356 10.982 ( 0.000 -2.575 0.000) 2.575 11.141 ( 0.000 1.503 0.000) 1.503 11.248 ( 0.000 -1.959 0.000) 1.959 11.304 ( 0.000 2.132 0.000) 2.132 11.380 ( 0.000 -0.491 0.000) 0.491 11.639 ( 0.000 1.151 0.000) 1.151 11.660 ( 0.000 0.755 0.000) 0.755 12.233 ( 0.000 6.344 0.000) 6.344 12.612 ( 0.000 -5.634 0.000) 5.634 13.020 ( 0.000 2.043 0.000) 2.043 13.127 ( 0.000 -1.591 0.000) 1.591 13.599 ( 0.000 0.281 0.000) 0.281 13.651 ( 0.000 -1.971 0.000) 1.971 14.140 ( 0.000 2.887 0.000) 2.887 14.269 ( 0.000 -0.870 0.000) 0.870 21.462 ( 0.000 0.425 0.000) 0.425 21.482 ( 0.000 -0.196 0.000) 0.196 21.624 ( 0.000 2.636 0.000) 2.636 21.825 ( 0.000 -3.432 0.000) 3.432 23.316 ( 0.000 4.210 0.000) 4.210 23.512 ( 0.000 2.178 0.000) 2.178 23.527 ( 0.000 -2.195 0.000) 2.195 23.659 ( 0.000 -2.721 0.000) 2.721 23.726 ( 0.000 1.073 0.000) 1.073 23.796 ( 0.000 -1.015 0.000) 1.015 24.206 ( 0.000 5.588 0.000) 5.588 24.518 ( 0.000 -4.745 0.000) 4.745 24.692 ( 0.000 0.117 0.000) 0.117 24.718 ( 0.000 -0.996 0.000) 0.996 24.979 ( 0.000 3.592 0.000) 3.592 25.150 ( 0.000 -1.340 0.000) 1.340 25.952 ( 0.000 0.364 0.000) 0.364 25.998 ( 0.000 -1.057 0.000) 1.057 26.269 ( 0.000 2.705 0.000) 2.705 26.431 ( 0.000 -2.290 0.000) 2.290 27.559 ( 0.000 2.283 0.000) 2.283 27.640 ( 0.000 -0.198 0.000) 0.198 27.718 ( 0.000 0.679 0.000) 0.679 27.751 ( 0.000 -0.376 0.000) 0.376 29.388 ( 0.000 1.839 0.000) 1.839 29.516 ( 0.000 -1.783 0.000) 1.783 30.206 ( 0.000 1.919 0.000) 1.919 30.440 ( 0.000 -4.834 0.000) 4.834 47.830 ( 0.000 0.644 0.000) 0.644 47.896 ( 0.000 -1.298 0.000) 1.298 47.926 ( 0.000 0.108 0.000) 0.108 47.936 ( 0.000 -0.152 0.000) 0.152 88.824 ( 0.000 3.298 0.000) 3.298 88.987 ( 0.000 3.072 0.000) 3.072 89.130 ( 0.000 -7.663 0.000) 7.663 89.312 ( 0.000 -6.518 0.000) 6.518 90.330 ( 0.000 2.809 0.000) 2.809 90.361 ( 0.000 2.105 0.000) 2.105 91.367 ( 0.000 18.827 0.000) 18.827 92.285 ( 0.000 -10.651 0.000) 10.651 ======================= Grid point 19 (12/116) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 6.837 17.233 4.819) 19.155 1.003 ( 11.051 18.066 7.835) 22.581 1.442 ( 1.166 6.788 10.593) 12.635 1.652 ( -0.814 -4.612 2.457) 5.288 1.746 ( 2.973 2.722 1.661) 4.360 1.802 ( -0.616 -2.203 -1.612) 2.799 1.932 ( 4.513 -4.841 7.043) 9.664 2.166 ( -4.044 8.614 1.502) 9.634 2.219 ( 3.717 5.302 1.809) 6.723 2.375 ( 4.030 2.352 -3.008) 5.552 2.551 ( -0.194 3.253 0.288) 3.272 2.583 ( -5.496 -0.352 2.316) 5.975 2.723 ( -7.993 -1.595 -2.342) 8.481 2.801 ( 0.295 -5.073 -2.387) 5.614 2.972 ( -0.594 0.260 1.339) 1.487 3.142 ( 0.434 -4.266 1.318) 4.486 3.303 ( -1.914 2.068 1.630) 3.255 3.481 ( -2.470 -0.170 -4.781) 5.384 3.554 ( -4.695 6.127 -5.360) 9.398 3.689 ( 3.799 1.235 2.565) 4.747 3.832 ( 1.903 -0.856 1.425) 2.527 3.953 ( 3.434 5.751 2.650) 7.203 4.106 ( -0.434 3.434 -1.800) 3.901 4.182 ( -3.111 -6.202 -2.291) 7.307 4.313 ( 2.851 -3.468 1.490) 4.730 4.439 ( 1.862 -4.238 -1.909) 5.007 4.829 ( 1.848 -2.139 -0.894) 2.965 4.909 ( 5.685 -8.514 -1.813) 10.397 5.418 ( -4.841 10.439 3.856) 12.136 5.538 ( -0.622 7.269 0.498) 7.312 5.938 ( 1.844 8.798 -1.320) 9.086 6.096 ( 4.215 14.928 -3.841) 15.980 6.218 ( -6.937 -7.983 0.919) 10.616 6.269 ( 2.675 -3.182 0.839) 4.241 6.510 ( 8.555 -6.783 2.259) 11.149 6.948 ( -3.632 -7.603 -3.204) 9.015 7.531 ( 0.143 0.636 -0.000) 0.652 7.712 ( -1.048 0.316 -0.136) 1.103 7.750 ( 1.216 -0.506 -0.288) 1.348 7.958 ( -3.350 -8.009 -3.673) 9.426 7.992 ( -1.482 -5.660 -1.040) 5.942 8.054 ( -0.152 -3.494 -2.005) 4.031 8.248 ( -1.260 0.417 -0.092) 1.330 8.320 ( -1.812 -1.591 -1.652) 2.923 8.532 ( -0.479 2.521 -2.938) 3.901 8.587 ( -0.329 1.664 -1.366) 2.178 8.660 ( 0.372 3.653 -1.291) 3.893 8.922 ( -2.636 1.251 -1.831) 3.444 9.308 ( 1.175 3.634 1.526) 4.113 9.349 ( 0.858 -3.469 1.651) 3.937 9.580 ( 0.322 -3.681 2.224) 4.313 9.670 ( -0.739 -7.593 1.039) 7.699 10.825 ( 0.181 1.929 -2.465) 3.135 10.930 ( -1.877 -0.802 -5.764) 6.114 11.105 ( -2.869 3.121 0.024) 4.239 11.289 ( -0.522 2.829 -1.072) 3.070 11.310 ( 0.315 -3.950 5.788) 7.015 11.386 ( 1.331 -0.488 0.153) 1.426 11.582 ( -2.669 2.500 -1.858) 4.102 11.674 ( 0.282 0.218 0.089) 0.367 12.244 ( 2.188 5.885 -0.139) 6.280 12.574 ( -1.486 -4.162 -3.726) 5.781 12.997 ( -0.931 2.802 -0.607) 3.014 13.099 ( -2.760 -1.338 -1.262) 3.316 13.565 ( -0.426 2.861 0.414) 2.922 13.861 ( 8.835 -10.696 8.883) 16.474 14.179 ( 1.517 2.003 6.155) 6.648 14.303 ( 1.599 -1.175 4.186) 4.633 21.447 ( -0.197 0.640 -1.850) 1.968 21.499 ( 3.285 -2.222 -3.246) 5.125 21.620 ( -0.149 2.858 -0.575) 2.919 21.820 ( -0.149 -3.141 -1.120) 3.338 23.320 ( -0.171 4.296 0.754) 4.365 23.445 ( -3.839 1.125 -0.114) 4.002 23.586 ( 3.916 -0.650 -0.065) 3.970 23.675 ( 1.079 -3.224 0.859) 3.506 23.739 ( 0.713 0.992 1.261) 1.755 23.803 ( 0.598 -0.895 -0.304) 1.119 24.175 ( -1.885 5.641 -2.168) 6.330 24.464 ( -4.648 -3.584 -4.039) 7.125 24.712 ( 0.677 -0.150 3.053) 3.131 24.727 ( 0.413 -0.754 0.927) 1.264 24.934 ( -4.389 3.382 -1.715) 5.800 25.030 ( -8.297 2.448 -0.464) 8.664 25.915 ( -3.745 0.238 -0.207) 3.758 25.953 ( -2.539 -1.139 -1.701) 3.261 26.297 ( 2.387 5.464 2.774) 6.577 26.600 ( 9.982 -6.777 5.397) 13.217 27.587 ( 2.248 0.909 0.562) 2.489 27.638 ( -0.595 -0.022 0.549) 0.810 27.714 ( -0.469 0.762 0.203) 0.918 27.755 ( 0.460 -0.329 -0.056) 0.568 29.384 ( -2.015 1.562 2.474) 3.553 29.516 ( -0.688 -1.936 1.075) 2.319 30.203 ( -0.364 2.327 0.217) 2.365 30.443 ( 0.229 -4.675 0.379) 4.696 47.783 ( -4.086 0.613 -0.395) 4.150 47.816 ( -5.589 0.367 -0.910) 5.675 47.955 ( 3.047 0.704 -1.281) 3.380 47.987 ( 3.401 -0.308 0.367) 3.434 88.761 ( -2.788 3.216 -1.553) 4.531 88.977 ( -1.899 2.755 1.715) 3.760 89.153 ( 1.142 -6.461 -0.983) 6.635 89.491 ( 12.088 -13.209 8.586) 19.858 90.349 ( 2.129 2.601 0.089) 3.363 90.385 ( 2.905 2.504 0.096) 3.837 91.341 ( -3.027 18.033 0.125) 18.286 92.104 ( -17.210 -2.603 -2.698) 17.613 ======================= Grid point 20 (13/116) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 4.749 13.809 2.972) 14.903 1.241 ( 3.889 12.814 10.228) 16.850 1.569 ( 1.541 -1.570 5.786) 6.190 1.636 ( -4.654 -7.789 -5.679) 10.704 1.710 ( 2.038 -6.910 6.052) 9.409 1.859 ( -6.596 2.829 0.885) 7.232 1.983 ( 1.882 6.786 3.183) 7.728 2.275 ( 4.805 9.637 6.167) 12.409 2.340 ( -1.604 3.372 -3.411) 5.058 2.390 ( -1.917 4.575 -3.939) 6.334 2.432 ( 8.042 -3.055 11.061) 14.012 2.558 ( -5.572 -3.582 -0.750) 6.667 2.638 ( 3.675 -1.167 2.785) 4.757 2.836 ( 2.384 -2.175 2.374) 4.006 2.991 ( -0.708 0.754 2.694) 2.886 3.141 ( -0.812 -3.110 -1.655) 3.615 3.297 ( -1.011 0.927 2.400) 2.764 3.386 ( -2.999 -2.278 -1.749) 4.153 3.450 ( -0.222 2.086 -6.596) 6.921 3.702 ( -1.869 -3.265 -3.500) 5.138 3.880 ( -0.182 4.991 4.758) 6.898 4.034 ( -3.002 -5.700 1.185) 6.550 4.093 ( 5.458 0.802 1.363) 5.683 4.156 ( 1.607 9.782 -1.458) 10.019 4.328 ( 2.264 2.326 -0.679) 3.316 4.573 ( 10.530 0.073 1.678) 10.663 4.788 ( -2.649 -4.950 -5.690) 7.993 4.948 ( 0.408 -1.965 -1.801) 2.697 5.401 ( -2.474 7.372 5.177) 9.342 5.543 ( 1.028 2.938 0.352) 3.133 5.930 ( -0.542 6.954 -2.639) 7.458 6.107 ( -1.793 3.639 -2.197) 4.614 6.150 ( 0.762 1.669 -0.105) 1.837 6.341 ( 4.794 -0.983 0.146) 4.896 6.646 ( 5.349 -4.631 1.493) 7.231 6.828 ( -5.785 -6.417 -4.508) 9.745 7.537 ( 0.371 -0.653 0.594) 0.958 7.688 ( -1.196 -0.768 -0.765) 1.614 7.764 ( 0.628 -1.970 -0.557) 2.142 7.847 ( -4.453 -7.314 -5.176) 10.006 7.942 ( -2.465 -2.900 -2.634) 4.628 8.031 ( 0.119 -2.370 -1.975) 3.087 8.227 ( -0.719 -0.374 -0.485) 0.944 8.269 ( -2.274 -1.122 -1.277) 2.839 8.490 ( -0.343 1.471 -3.054) 3.407 8.570 ( 0.370 0.219 -2.155) 2.198 8.660 ( 0.787 2.699 -0.970) 2.974 8.860 ( -2.546 0.366 -1.328) 2.895 9.354 ( 0.932 3.667 3.204) 4.958 9.372 ( 0.980 -3.568 0.122) 3.702 9.604 ( 0.181 -4.429 2.081) 4.897 9.674 ( -0.942 -4.724 2.157) 5.278 10.805 ( 0.820 1.193 -2.695) 3.059 10.846 ( -0.872 1.082 -5.844) 6.007 11.049 ( -4.405 3.392 0.307) 5.568 11.272 ( -0.457 3.499 -0.213) 3.535 11.318 ( -1.983 -3.516 0.072) 4.037 11.445 ( 2.500 -2.989 3.220) 5.055 11.554 ( -0.113 1.517 0.727) 1.686 11.672 ( -0.064 -0.720 -0.629) 0.959 12.311 ( 4.928 4.481 1.665) 6.865 12.521 ( -0.308 -1.759 -3.314) 3.764 12.985 ( -0.653 0.895 0.117) 1.115 13.014 ( -5.136 -0.361 -2.572) 5.755 13.568 ( -0.516 4.941 1.018) 5.071 14.008 ( 2.845 -9.620 3.745) 10.708 14.283 ( 2.004 -0.139 6.741) 7.034 14.390 ( 2.191 -2.598 5.964) 6.864 21.432 ( 0.984 -0.223 -2.067) 2.300 21.514 ( 2.828 -3.527 -3.881) 5.958 21.607 ( -0.583 3.034 -0.740) 3.177 21.789 ( -1.732 -2.507 -2.457) 3.914 23.311 ( -1.483 4.197 -0.010) 4.451 23.423 ( 0.557 1.068 1.609) 2.010 23.649 ( 3.115 -0.958 1.043) 3.422 23.680 ( -1.143 -3.102 -1.516) 3.637 23.762 ( 0.558 1.337 1.017) 1.771 23.819 ( 1.860 -0.336 0.917) 2.101 24.125 ( -1.630 4.814 -1.630) 5.337 24.307 ( -7.870 -0.623 -4.788) 9.233 24.744 ( 0.469 -0.284 1.272) 1.385 24.765 ( 0.245 -0.619 5.059) 5.102 24.865 ( -2.132 1.951 1.156) 3.113 24.942 ( -2.891 0.947 -1.035) 3.213 25.847 ( -3.908 -0.036 -0.457) 3.935 25.898 ( -2.128 -2.300 -1.905) 3.667 26.369 ( 2.591 7.945 2.461) 8.712 26.770 ( 5.548 -6.383 3.620) 9.199 27.617 ( 0.411 0.396 0.410) 0.703 27.634 ( -0.053 0.007 0.384) 0.388 27.710 ( -0.398 1.075 0.271) 1.178 27.760 ( 0.246 -0.084 -0.241) 0.355 29.370 ( -2.606 1.630 2.390) 3.894 29.514 ( -1.105 -2.295 1.529) 2.970 30.200 ( -0.449 3.239 0.463) 3.302 30.453 ( 0.390 -4.307 0.556) 4.360 47.715 ( -3.470 0.676 -0.405) 3.558 47.733 ( -3.759 0.734 -0.242) 3.838 47.986 ( 2.240 1.537 -1.124) 2.940 48.043 ( 2.986 -0.530 0.159) 3.037 88.741 ( 0.168 2.105 0.851) 2.277 88.969 ( -1.553 1.618 2.940) 3.698 89.142 ( -0.117 -2.720 -2.882) 3.964 89.739 ( 8.390 -19.369 5.881) 21.912 90.396 ( 3.548 3.318 -0.218) 4.862 90.450 ( 4.559 2.400 0.189) 5.155 91.282 ( -4.184 16.086 0.326) 16.625 91.788 ( -17.196 5.010 -1.483) 17.973 ======================= Grid point 21 (14/116) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 5.061 6.956 4.940) 9.920 1.332 ( -3.428 8.173 5.692) 10.534 1.520 ( -0.593 -8.083 -2.770) 8.565 1.605 ( -0.181 -2.223 -1.896) 2.927 1.670 ( -9.901 2.220 -0.630) 10.167 1.784 ( -4.683 -1.279 2.833) 5.620 2.014 ( -0.097 4.521 0.265) 4.530 2.163 ( -0.079 3.514 -2.547) 4.341 2.328 ( -4.119 0.518 -0.782) 4.224 2.441 ( 2.303 -0.405 -3.514) 4.220 2.550 ( 4.237 6.159 6.368) 9.820 2.733 ( 3.535 -0.887 4.165) 5.534 2.778 ( 10.439 -0.987 9.532) 14.171 2.901 ( 2.464 -1.337 2.485) 3.746 3.005 ( 0.982 -2.104 2.317) 3.280 3.084 ( -2.862 -1.547 -2.308) 3.989 3.315 ( 1.286 0.994 0.249) 1.644 3.370 ( -0.678 -3.092 1.552) 3.525 3.426 ( 2.424 -3.655 -0.876) 4.472 3.617 ( -2.910 -2.717 -3.515) 5.310 3.903 ( -2.062 3.227 3.540) 5.215 3.965 ( -2.880 -7.299 -1.279) 7.950 4.144 ( 0.421 7.158 -0.817) 7.217 4.228 ( 5.315 0.837 -0.062) 5.381 4.407 ( 5.574 9.074 1.829) 10.805 4.642 ( -6.103 3.001 -5.214) 8.570 4.745 ( 7.380 0.377 0.279) 7.395 4.903 ( -3.234 3.999 -1.014) 5.242 5.423 ( -0.649 3.784 3.551) 5.230 5.576 ( 2.206 -3.030 0.047) 3.748 5.886 ( -1.005 8.142 -2.419) 8.553 6.040 ( -3.291 -0.199 -0.844) 3.404 6.200 ( 3.768 4.500 0.873) 5.934 6.392 ( 1.750 -0.587 -2.566) 3.161 6.702 ( -1.157 -1.689 0.964) 2.263 6.716 ( -0.843 -3.804 -2.669) 4.723 7.554 ( 0.572 -3.103 1.161) 3.362 7.670 ( -0.419 -2.558 0.223) 2.602 7.731 ( -3.132 -5.174 -4.191) 7.359 7.751 ( -1.016 -5.016 -2.146) 5.550 7.879 ( -1.816 0.644 -1.899) 2.705 8.025 ( 0.805 -1.229 -1.120) 1.848 8.211 ( -0.967 0.054 0.019) 0.969 8.233 ( -0.894 -0.637 -0.879) 1.406 8.475 ( 0.653 -0.564 -0.636) 1.072 8.556 ( 0.442 -1.300 -2.229) 2.618 8.661 ( 0.176 1.823 -0.452) 1.887 8.822 ( -1.009 -0.366 -0.497) 1.183 9.363 ( -0.917 2.130 0.445) 2.361 9.407 ( 1.422 -3.750 1.281) 4.210 9.630 ( 1.078 -3.512 1.078) 3.829 9.672 ( -1.679 -2.562 1.700) 3.503 10.789 ( -0.819 2.813 -1.776) 3.426 10.808 ( 2.384 0.092 -3.530) 4.261 10.978 ( -4.118 2.569 0.146) 4.855 11.269 ( -0.329 3.478 0.609) 3.546 11.280 ( -1.355 -4.108 -1.295) 4.515 11.499 ( 1.027 -4.171 1.865) 4.683 11.580 ( 1.057 0.259 2.036) 2.309 11.661 ( -0.227 -1.457 -1.162) 1.877 12.421 ( 5.547 2.524 2.307) 6.516 12.500 ( 0.455 0.159 -1.673) 1.741 12.895 ( -5.696 1.222 -2.692) 6.418 12.975 ( -0.600 -1.148 0.122) 1.302 13.566 ( -0.684 6.825 0.654) 6.890 14.063 ( 1.003 -8.206 1.895) 8.481 14.359 ( 1.034 0.181 3.726) 3.871 14.464 ( 1.000 -2.486 3.262) 4.222 21.440 ( 1.701 -1.234 -1.151) 2.396 21.521 ( 1.979 -3.654 -2.374) 4.786 21.593 ( -0.409 2.470 0.236) 2.514 21.719 ( -3.275 -1.537 -2.903) 4.639 23.288 ( -0.848 3.694 -0.245) 3.798 23.475 ( 2.542 0.804 2.750) 3.831 23.617 ( -2.587 -0.159 -3.269) 4.172 23.699 ( 1.256 -1.184 1.179) 2.090 23.779 ( 0.505 1.416 0.658) 1.641 23.869 ( 2.228 -1.392 1.027) 2.821 24.089 ( -1.635 3.385 -1.216) 3.951 24.162 ( -4.745 0.326 -2.021) 5.167 24.762 ( 0.561 0.293 0.647) 0.905 24.803 ( -1.169 -0.544 4.330) 4.518 24.879 ( 2.297 -0.644 -0.573) 2.454 24.900 ( -2.021 -0.279 0.551) 2.113 25.790 ( -2.391 -0.417 -0.324) 2.448 25.849 ( -1.517 -3.220 -1.623) 3.912 26.418 ( 1.202 9.680 1.248) 9.834 26.861 ( 2.608 -5.267 1.815) 6.151 27.613 ( -0.767 0.844 0.461) 1.230 27.642 ( 0.367 -0.160 0.033) 0.402 27.707 ( -0.135 1.546 0.074) 1.554 27.758 ( -0.099 0.290 -0.286) 0.419 29.351 ( -1.695 2.069 1.255) 2.954 29.510 ( -0.864 -2.605 1.074) 2.948 30.198 ( -0.300 4.130 0.387) 4.159 30.464 ( 0.324 -3.963 0.410) 3.998 47.668 ( -1.878 0.568 -0.195) 1.972 47.688 ( -1.744 0.267 0.062) 1.765 48.006 ( 1.288 1.948 -0.601) 2.412 48.082 ( 1.674 -0.753 0.037) 1.835 88.762 ( 0.743 1.785 1.073) 2.211 88.989 ( 0.070 1.588 3.531) 3.872 89.097 ( -1.316 -0.413 -3.588) 3.844 89.873 ( 3.517 -21.070 2.414) 21.498 90.451 ( 3.191 4.991 -0.302) 5.931 90.519 ( 3.315 1.853 -0.050) 3.798 91.227 ( -2.570 14.106 0.366) 14.343 91.550 ( -10.449 6.490 -0.345) 12.305 ======================= Grid point 22 (15/116) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -0.000 1.402 -0.000) 1.402 1.242 ( 0.000 6.007 0.000) 6.007 1.544 ( -0.000 3.368 0.000) 3.368 1.562 ( 0.000 1.200 -0.000) 1.200 1.595 ( -0.000 -11.210 -0.000) 11.210 1.712 ( -0.000 -1.658 -0.000) 1.658 2.027 ( 0.000 8.777 0.000) 8.777 2.200 ( -0.000 5.032 -0.000) 5.032 2.256 ( 0.000 -0.399 0.000) 0.399 2.432 ( 0.000 -2.641 -0.000) 2.641 2.634 ( -0.000 8.435 -0.000) 8.435 2.786 ( 0.000 -0.442 0.000) 0.442 2.880 ( 0.000 0.205 -0.000) 0.205 2.934 ( 0.000 -2.171 0.000) 2.171 3.040 ( 0.000 -2.467 0.000) 2.467 3.072 ( 0.000 -6.092 0.000) 6.092 3.334 ( 0.000 -1.752 0.000) 1.752 3.362 ( -0.000 -2.005 -0.000) 2.005 3.467 ( 0.000 -3.553 0.000) 3.553 3.570 ( -0.000 -0.766 -0.000) 0.766 3.895 ( 0.000 0.695 -0.000) 0.695 3.938 ( 0.000 -7.890 0.000) 7.890 4.141 ( 0.000 7.539 0.000) 7.539 4.265 ( 0.000 -3.459 0.000) 3.459 4.491 ( -0.000 10.323 -0.000) 10.323 4.536 ( -0.000 9.467 0.000) 9.467 4.814 ( 0.000 3.225 0.000) 3.225 4.861 ( 0.000 4.908 0.000) 4.908 5.438 ( 0.000 1.446 -0.000) 1.446 5.595 ( 0.000 -4.896 0.000) 4.896 5.866 ( 0.000 8.781 -0.000) 8.781 6.004 ( -0.000 0.892 0.000) 0.892 6.255 ( 0.000 5.466 0.000) 5.466 6.366 ( 0.000 -3.297 0.000) 3.297 6.689 ( 0.000 -1.811 0.000) 1.811 6.710 ( 0.000 -0.308 -0.000) 0.308 7.568 ( 0.000 -4.906 0.000) 4.906 7.670 ( 0.000 -3.415 -0.000) 3.415 7.686 ( 0.000 -3.477 0.000) 3.477 7.719 ( -0.000 -7.051 -0.000) 7.051 7.856 ( 0.000 2.945 0.000) 2.945 8.027 ( 0.000 -0.674 0.000) 0.674 8.205 ( 0.000 1.136 0.000) 1.136 8.219 ( 0.000 -1.174 -0.000) 1.174 8.483 ( 0.000 -1.455 0.000) 1.455 8.546 ( 0.000 -2.352 0.000) 2.352 8.660 ( 0.000 1.729 0.000) 1.729 8.813 ( -0.000 -0.726 0.000) 0.726 9.356 ( 0.000 1.801 0.000) 1.801 9.425 ( 0.000 -4.402 0.000) 4.402 9.653 ( 0.000 -2.359 -0.000) 2.359 9.658 ( -0.000 -2.321 0.000) 2.321 10.772 ( 0.000 3.386 0.000) 3.386 10.816 ( 0.000 0.102 -0.000) 0.102 10.939 ( 0.000 2.004 -0.000) 2.004 11.261 ( 0.000 -4.876 -0.000) 4.876 11.270 ( -0.000 3.635 0.000) 3.635 11.516 ( 0.000 -4.477 0.000) 4.477 11.605 ( 0.000 -0.271 0.000) 0.271 11.649 ( 0.000 -1.624 -0.000) 1.624 12.492 ( -0.000 0.899 0.000) 0.899 12.496 ( 0.000 0.899 -0.000) 0.899 12.821 ( 0.000 2.680 0.000) 2.680 12.971 ( 0.000 -2.004 -0.000) 2.004 13.563 ( 0.000 7.599 -0.000) 7.599 14.081 ( 0.000 -7.977 0.000) 7.977 14.386 ( 0.000 0.357 0.000) 0.357 14.487 ( 0.000 -1.990 0.000) 1.990 21.451 ( 0.000 -1.475 -0.000) 1.475 21.528 ( 0.000 -3.692 0.000) 3.692 21.602 ( -0.000 1.244 0.000) 1.244 21.660 ( 0.000 -0.331 0.000) 0.331 23.280 ( 0.000 3.600 -0.000) 3.600 23.537 ( -0.000 -3.729 -0.000) 3.729 23.555 ( 0.000 5.360 0.000) 5.360 23.711 ( 0.000 -0.321 0.000) 0.321 23.789 ( 0.000 0.302 -0.000) 0.302 23.894 ( -0.000 -1.739 0.000) 1.739 24.057 ( 0.000 2.521 0.000) 2.521 24.122 ( 0.000 0.842 -0.000) 0.842 24.771 ( 0.000 0.522 -0.000) 0.522 24.816 ( -0.000 -0.714 0.000) 0.714 24.881 ( 0.000 -0.464 -0.000) 0.464 24.903 ( -0.000 -1.456 0.000) 1.456 25.769 ( 0.000 -0.637 -0.000) 0.637 25.827 ( 0.000 -3.535 0.000) 3.535 26.434 ( 0.000 10.308 0.000) 10.308 26.891 ( 0.000 -4.945 0.000) 4.945 27.609 ( 0.000 0.938 0.000) 0.938 27.645 ( -0.000 -0.124 0.000) 0.124 27.706 ( 0.000 1.769 0.000) 1.769 27.755 ( 0.000 0.454 0.000) 0.454 29.343 ( 0.000 2.294 0.000) 2.294 29.508 ( 0.000 -2.719 0.000) 2.719 30.197 ( 0.000 4.498 0.000) 4.498 30.469 ( 0.000 -3.829 0.000) 3.829 47.652 ( 0.000 0.544 0.000) 0.544 47.675 ( -0.000 0.010 -0.000) 0.010 48.014 ( 0.000 2.070 0.000) 2.070 48.096 ( 0.000 -0.832 0.000) 0.832 88.774 ( 0.000 1.852 0.000) 1.852 89.034 ( 0.000 8.716 0.000) 8.716 89.041 ( -0.000 -6.653 -0.000) 6.653 89.912 ( 0.000 -21.405 0.000) 21.405 90.478 ( 0.000 6.030 0.000) 6.030 90.546 ( -0.000 1.529 0.000) 1.529 91.209 ( 0.000 13.359 0.000) 13.359 91.460 ( 0.000 6.234 0.000) 6.234 ======================= Grid point 27 (16/116) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 0.000 18.636 0.000) 18.636 1.265 ( 0.000 17.094 0.000) 17.094 1.351 ( 0.000 -10.846 0.000) 10.846 1.545 ( 0.000 -13.524 0.000) 13.524 1.662 ( 0.000 1.487 0.000) 1.487 1.743 ( 0.000 -6.538 0.000) 6.538 1.995 ( 0.000 14.715 0.000) 14.715 2.165 ( 0.000 -3.950 0.000) 3.950 2.346 ( 0.000 4.138 0.000) 4.138 2.372 ( 0.000 0.969 0.000) 0.969 2.554 ( 0.000 -0.929 0.000) 0.929 2.585 ( 0.000 -3.770 0.000) 3.770 2.835 ( 0.000 2.950 0.000) 2.950 2.848 ( 0.000 2.374 0.000) 2.374 2.978 ( 0.000 2.666 0.000) 2.666 3.053 ( 0.000 -3.457 0.000) 3.457 3.435 ( 0.000 7.586 0.000) 7.586 3.545 ( 0.000 -3.893 0.000) 3.893 3.655 ( 0.000 4.232 0.000) 4.232 3.699 ( 0.000 1.776 0.000) 1.776 3.776 ( 0.000 0.919 0.000) 0.919 3.935 ( 0.000 -14.410 0.000) 14.410 4.041 ( 0.000 6.880 0.000) 6.880 4.153 ( 0.000 -4.852 0.000) 4.852 4.227 ( 0.000 2.994 0.000) 2.994 4.311 ( 0.000 -6.483 0.000) 6.483 4.782 ( 0.000 0.358 0.000) 0.358 4.804 ( 0.000 -2.294 0.000) 2.294 5.645 ( 0.000 8.149 0.000) 8.149 5.680 ( 0.000 4.567 0.000) 4.567 6.097 ( 0.000 -3.103 0.000) 3.103 6.106 ( 0.000 6.222 0.000) 6.222 6.154 ( 0.000 -5.554 0.000) 5.554 6.256 ( 0.000 -5.462 0.000) 5.462 6.463 ( 0.000 17.829 0.000) 17.829 6.781 ( 0.000 -14.879 0.000) 14.879 7.592 ( 0.000 6.220 0.000) 6.220 7.733 ( 0.000 0.546 0.000) 0.546 7.734 ( 0.000 -1.751 0.000) 1.751 7.774 ( 0.000 -10.756 0.000) 10.756 7.977 ( 0.000 0.319 0.000) 0.319 8.005 ( 0.000 -2.519 0.000) 2.519 8.278 ( 0.000 1.275 0.000) 1.275 8.309 ( 0.000 -1.981 0.000) 1.981 8.604 ( 0.000 2.058 0.000) 2.058 8.622 ( 0.000 0.109 0.000) 0.109 8.769 ( 0.000 7.260 0.000) 7.260 8.912 ( 0.000 -6.648 0.000) 6.648 9.335 ( 0.000 5.864 0.000) 5.864 9.382 ( 0.000 4.467 0.000) 4.467 9.485 ( 0.000 -4.544 0.000) 4.544 9.503 ( 0.000 -9.002 0.000) 9.002 10.884 ( 0.000 2.618 0.000) 2.618 10.933 ( 0.000 -2.650 0.000) 2.650 11.173 ( 0.000 1.876 0.000) 1.876 11.210 ( 0.000 -2.035 0.000) 2.035 11.340 ( 0.000 1.644 0.000) 1.644 11.365 ( 0.000 -1.082 0.000) 1.082 11.659 ( 0.000 0.844 0.000) 0.844 11.667 ( 0.000 -0.040 0.000) 0.040 12.362 ( 0.000 7.137 0.000) 7.137 12.494 ( 0.000 -6.853 0.000) 6.853 13.059 ( 0.000 2.045 0.000) 2.045 13.095 ( 0.000 -1.777 0.000) 1.777 13.605 ( 0.000 0.433 0.000) 0.433 13.620 ( 0.000 -1.252 0.000) 1.252 14.195 ( 0.000 2.893 0.000) 2.893 14.242 ( 0.000 -2.020 0.000) 2.020 21.471 ( 0.000 0.420 0.000) 0.420 21.477 ( 0.000 -0.289 0.000) 0.289 21.682 ( 0.000 3.586 0.000) 3.586 21.754 ( 0.000 -3.973 0.000) 3.973 23.398 ( 0.000 4.374 0.000) 4.374 23.473 ( 0.000 -3.526 0.000) 3.526 23.557 ( 0.000 2.577 0.000) 2.577 23.607 ( 0.000 -2.738 0.000) 2.738 23.750 ( 0.000 1.381 0.000) 1.381 23.775 ( 0.000 -1.258 0.000) 1.258 24.314 ( 0.000 5.862 0.000) 5.862 24.421 ( 0.000 -5.520 0.000) 5.520 24.694 ( 0.000 0.211 0.000) 0.211 24.702 ( 0.000 -0.665 0.000) 0.665 25.049 ( 0.000 3.764 0.000) 3.764 25.112 ( 0.000 -2.777 0.000) 2.777 25.962 ( 0.000 0.678 0.000) 0.678 25.978 ( 0.000 -0.995 0.000) 0.995 26.324 ( 0.000 3.115 0.000) 3.115 26.382 ( 0.000 -2.942 0.000) 2.942 27.601 ( 0.000 2.008 0.000) 2.008 27.629 ( 0.000 -1.017 0.000) 1.017 27.731 ( 0.000 0.641 0.000) 0.641 27.742 ( 0.000 -0.560 0.000) 0.560 29.428 ( 0.000 2.442 0.000) 2.442 29.475 ( 0.000 -2.453 0.000) 2.453 30.259 ( 0.000 3.810 0.000) 3.810 30.344 ( 0.000 -5.080 0.000) 5.080 47.846 ( 0.000 1.091 0.000) 1.091 47.870 ( 0.000 -1.380 0.000) 1.380 47.929 ( 0.000 0.169 0.000) 0.169 47.933 ( 0.000 -0.192 0.000) 0.192 88.898 ( 0.000 4.629 0.000) 4.629 88.999 ( 0.000 -6.202 0.000) 6.202 89.066 ( 0.000 5.311 0.000) 5.311 89.182 ( 0.000 -6.901 0.000) 6.901 90.377 ( 0.000 1.748 0.000) 1.748 90.388 ( 0.000 0.558 0.000) 0.558 91.722 ( 0.000 18.504 0.000) 18.504 92.041 ( 0.000 -15.300 0.000) 15.300 ======================= Grid point 28 (17/116) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 4.617 15.042 5.156) 16.558 1.326 ( 5.833 12.807 3.002) 14.389 1.412 ( 2.460 -3.848 7.121) 8.460 1.594 ( -4.807 0.024 0.274) 4.815 1.629 ( 5.056 -12.160 2.851) 13.475 1.671 ( -3.956 -7.848 -1.431) 8.905 2.081 ( 3.735 10.487 7.255) 13.288 2.219 ( 1.683 -4.226 5.902) 7.452 2.334 ( 0.661 7.787 -0.140) 7.816 2.400 ( 4.267 -0.260 -4.838) 6.456 2.553 ( 0.365 0.724 0.009) 0.811 2.628 ( -0.028 -4.426 4.822) 6.546 2.708 ( -10.496 2.679 -5.120) 11.982 2.738 ( -7.285 0.170 -1.457) 7.431 3.006 ( 1.013 3.456 2.224) 4.233 3.075 ( 0.778 -3.324 1.333) 3.664 3.401 ( -3.118 6.340 -0.288) 7.071 3.462 ( -4.789 -0.877 -3.376) 5.925 3.630 ( -1.944 1.733 -8.067) 8.477 3.678 ( 0.798 -3.105 -5.110) 6.032 3.836 ( 3.214 2.334 5.432) 6.730 3.929 ( -1.898 -7.776 4.240) 9.058 4.110 ( 5.513 6.100 -1.009) 8.284 4.194 ( 4.888 -0.875 -2.335) 5.487 4.279 ( 5.125 0.003 4.035) 6.523 4.340 ( 3.146 -5.253 1.745) 6.367 4.799 ( 0.747 -0.734 -1.680) 1.980 4.813 ( 3.771 -2.264 -0.309) 4.409 5.609 ( -5.015 8.305 2.049) 9.916 5.658 ( -2.486 3.610 -0.110) 4.384 6.020 ( -4.031 0.171 1.263) 4.227 6.067 ( -5.628 -6.118 1.420) 8.434 6.250 ( 9.400 4.372 -1.065) 10.422 6.339 ( 6.518 -1.098 -3.044) 7.278 6.473 ( 1.764 11.443 1.250) 11.645 6.747 ( -2.713 -13.756 -2.000) 14.163 7.583 ( -0.456 5.526 -1.155) 5.664 7.720 ( -0.898 -1.143 -1.299) 1.949 7.733 ( 0.186 -2.293 -1.082) 2.542 7.754 ( -1.876 -7.834 -0.671) 8.084 7.963 ( -0.673 0.549 -1.436) 1.678 7.994 ( -0.270 -2.635 -1.263) 2.934 8.260 ( -1.592 1.000 -0.677) 1.998 8.286 ( -1.840 -1.733 -1.008) 2.722 8.580 ( -0.910 2.052 -3.070) 3.803 8.600 ( -0.775 -0.175 -2.581) 2.701 8.758 ( 0.067 6.472 -2.056) 6.791 8.881 ( -1.528 -5.596 -2.860) 6.467 9.338 ( -0.328 4.557 1.282) 4.745 9.403 ( -0.070 2.877 2.787) 4.007 9.490 ( 0.367 -4.665 1.496) 4.912 9.535 ( 1.567 -6.055 3.011) 6.942 10.863 ( -0.331 2.127 -3.204) 3.860 10.902 ( -0.968 -1.943 -3.920) 4.481 11.166 ( -2.144 3.441 2.026) 4.532 11.235 ( -0.768 -3.897 3.899) 5.566 11.337 ( 0.111 2.166 -0.412) 2.208 11.370 ( 0.791 -1.322 -0.085) 1.543 11.628 ( -1.663 2.327 -1.738) 3.347 11.663 ( -0.478 -1.317 -0.790) 1.609 12.362 ( 1.417 6.462 -1.275) 6.737 12.478 ( 0.271 -5.855 -2.562) 6.396 13.042 ( -1.629 1.981 -0.589) 2.631 13.073 ( -2.161 -1.457 -0.925) 2.766 13.624 ( 1.767 3.609 2.101) 4.534 13.710 ( 5.037 -5.968 4.900) 9.220 14.227 ( 1.006 2.706 4.618) 5.446 14.273 ( 1.138 -2.112 4.109) 4.759 21.456 ( -0.066 0.553 -2.357) 2.422 21.471 ( 0.790 -1.052 -2.461) 2.791 21.682 ( 0.352 3.730 -0.853) 3.843 21.754 ( 0.326 -3.807 -1.015) 3.953 23.397 ( -1.013 3.648 1.451) 4.055 23.446 ( -3.176 -1.313 1.271) 3.664 23.586 ( 3.047 0.889 -0.437) 3.204 23.619 ( 1.354 -2.535 -0.102) 2.876 23.761 ( 1.013 1.291 0.559) 1.734 23.784 ( 1.069 -1.138 -0.032) 1.561 24.282 ( -2.282 5.625 -2.338) 6.505 24.382 ( -3.076 -4.986 -2.936) 6.552 24.710 ( 0.555 0.019 2.221) 2.290 24.715 ( 0.428 -0.472 1.798) 1.907 24.995 ( -4.283 3.000 -2.614) 5.846 25.037 ( -5.606 -1.265 -2.372) 6.217 25.922 ( -3.780 0.515 -0.461) 3.843 25.935 ( -3.454 -0.810 -1.040) 3.697 26.394 ( 4.706 5.027 4.141) 8.035 26.489 ( 7.198 -5.332 5.050) 10.283 27.611 ( 0.577 1.408 0.871) 1.753 27.632 ( -0.273 -0.700 0.809) 1.104 27.730 ( 0.014 0.878 -0.014) 0.879 27.746 ( 0.426 -0.715 -0.090) 0.837 29.423 ( -1.193 2.488 1.004) 2.936 29.472 ( -0.858 -2.593 0.817) 2.851 30.263 ( 0.319 4.041 0.265) 4.062 30.350 ( 0.488 -5.055 0.330) 5.089 47.796 ( -4.199 0.809 -0.386) 4.293 47.811 ( -4.654 -0.679 -0.492) 4.729 47.967 ( 3.473 0.600 -0.609) 3.577 47.978 ( 3.552 -0.551 -0.086) 3.595 88.841 ( -3.535 5.145 -0.771) 6.290 88.946 ( -4.371 -5.521 1.358) 7.171 89.144 ( 5.668 5.286 0.132) 7.751 89.285 ( 7.590 -9.310 3.559) 12.528 90.397 ( 2.632 2.046 -0.224) 3.341 90.414 ( 3.106 0.360 -0.124) 3.129 91.675 ( -5.136 17.008 -0.370) 17.770 91.954 ( -9.063 -12.212 -1.268) 15.260 ======================= Grid point 29 (18/116) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -0.572 12.343 0.577) 12.370 1.372 ( -2.071 0.359 3.852) 4.389 1.499 ( -5.435 -5.164 -2.955) 8.058 1.518 ( -1.306 -4.205 1.638) 4.698 1.681 ( 8.149 4.954 9.251) 13.286 1.813 ( 2.891 -6.700 4.866) 8.771 2.124 ( -4.739 8.672 2.146) 10.113 2.288 ( -2.835 -7.691 3.722) 9.002 2.353 ( -3.830 0.868 -6.184) 7.326 2.389 ( 2.866 -2.310 -2.790) 4.619 2.525 ( 3.640 8.056 6.284) 10.846 2.587 ( 0.822 2.157 2.532) 3.427 2.661 ( 2.760 3.153 3.211) 5.279 2.746 ( 2.702 -5.901 4.208) 7.734 3.031 ( -1.122 3.163 2.386) 4.118 3.088 ( -0.941 -2.782 1.151) 3.154 3.351 ( -2.242 2.984 -1.378) 3.979 3.382 ( -1.740 1.219 -1.541) 2.625 3.490 ( -2.973 3.517 -8.629) 9.781 3.608 ( -1.378 -6.750 -5.748) 8.972 3.917 ( -0.151 -0.086 3.189) 3.194 3.935 ( -2.047 -2.954 1.097) 3.758 4.164 ( 2.710 5.112 0.032) 5.786 4.237 ( 2.013 -1.138 -1.015) 2.525 4.401 ( 7.838 5.079 2.536) 9.678 4.505 ( 10.815 -5.628 2.292) 12.406 4.796 ( 1.348 4.291 -1.605) 4.776 4.885 ( 4.101 -4.498 0.128) 6.088 5.545 ( -5.114 6.653 2.571) 8.776 5.603 ( -3.897 1.253 -0.181) 4.097 5.990 ( -2.063 0.335 2.333) 3.132 6.018 ( -2.862 -3.541 2.706) 5.297 6.345 ( 1.014 8.782 -5.527) 10.426 6.371 ( 7.157 3.293 -3.359) 8.565 6.564 ( 5.418 -1.679 2.329) 6.132 6.673 ( -3.300 -9.746 -1.640) 10.419 7.556 ( -1.073 3.477 -1.733) 4.030 7.669 ( -2.346 -5.795 -3.515) 7.172 7.697 ( -2.392 -2.381 -1.835) 3.841 7.721 ( -1.438 -2.346 -1.444) 3.108 7.938 ( -0.268 1.781 -1.421) 2.294 7.983 ( 0.517 -2.646 -1.080) 2.904 8.227 ( -1.223 0.522 -0.639) 1.476 8.245 ( -1.853 -1.259 -0.531) 2.302 8.528 ( -0.939 2.123 -3.804) 4.456 8.559 ( -0.540 -1.111 -3.347) 3.568 8.737 ( 0.195 4.797 -2.528) 5.426 8.825 ( -1.584 -3.977 -2.792) 5.111 9.350 ( 0.033 2.419 1.479) 2.835 9.408 ( -2.162 -1.125 2.365) 3.396 9.537 ( 2.118 -0.157 2.899) 3.594 9.591 ( 0.901 -4.200 3.587) 5.597 10.827 ( 0.449 1.208 -3.669) 3.889 10.847 ( -0.420 -0.785 -4.092) 4.188 11.129 ( -4.455 4.990 1.150) 6.787 11.228 ( -3.524 -5.356 1.810) 6.662 11.339 ( 0.550 3.286 -0.323) 3.348 11.394 ( 1.470 -2.639 1.021) 3.188 11.593 ( -0.566 2.607 -0.874) 2.807 11.643 ( -0.552 -2.350 -1.276) 2.731 12.396 ( 3.642 4.454 -0.107) 5.755 12.472 ( 1.865 -3.468 -2.030) 4.430 13.000 ( -2.689 0.671 -0.675) 2.853 13.009 ( -3.996 -0.324 -1.655) 4.338 13.678 ( 1.654 6.820 2.290) 7.382 13.826 ( 3.449 -9.078 3.622) 10.364 14.305 ( 1.663 2.025 5.991) 6.539 14.347 ( 1.678 -2.294 5.588) 6.269 21.435 ( 0.797 0.678 -2.802) 2.991 21.461 ( 1.407 -2.130 -3.015) 3.951 21.670 ( -0.516 3.558 -1.515) 3.901 21.735 ( -1.034 -3.244 -2.046) 3.972 23.385 ( -1.961 3.332 0.821) 3.953 23.426 ( -0.821 -0.958 2.035) 2.395 23.633 ( 2.609 -0.528 0.088) 2.663 23.638 ( 1.139 -1.201 -0.425) 1.709 23.787 ( 1.323 1.289 0.516) 1.917 23.808 ( 1.685 -0.883 0.401) 1.944 24.209 ( -3.244 4.092 -2.461) 5.773 24.274 ( -5.459 -2.722 -3.816) 7.195 24.743 ( 0.536 0.244 2.543) 2.610 24.753 ( 0.647 -0.684 3.608) 3.729 24.905 ( -3.107 2.227 -1.422) 4.079 24.939 ( -3.354 -1.173 -2.117) 4.136 25.851 ( -3.970 0.475 -0.750) 4.068 25.866 ( -3.411 -1.192 -1.299) 3.840 26.512 ( 4.077 7.331 4.000) 9.294 26.644 ( 5.329 -6.914 4.531) 9.835 27.628 ( 0.044 0.552 0.987) 1.132 27.634 ( -0.470 -0.134 0.974) 1.089 27.732 ( 0.242 1.236 -0.028) 1.260 27.752 ( 0.447 -0.806 -0.134) 0.931 29.411 ( -1.601 2.671 1.258) 3.359 29.464 ( -1.242 -2.876 1.137) 3.333 30.274 ( 0.481 4.550 0.455) 4.598 30.365 ( 0.720 -4.997 0.506) 5.074 47.727 ( -3.518 0.646 -0.425) 3.602 47.737 ( -3.684 -0.257 -0.401) 3.714 48.011 ( 2.644 1.158 -0.647) 2.958 48.030 ( 2.864 -0.839 -0.200) 2.991 88.807 ( -0.906 4.800 1.115) 5.010 88.910 ( -2.111 -5.782 2.239) 6.550 89.215 ( 3.306 8.873 -0.759) 9.499 89.431 ( 5.776 -13.947 2.529) 15.306 90.454 ( 4.584 2.564 -0.334) 5.263 90.478 ( 4.796 0.185 -0.309) 4.809 91.566 ( -7.229 13.587 -0.334) 15.394 91.763 ( -11.776 -6.729 -1.245) 13.620 ======================= Grid point 30 (19/116) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -2.221 5.177 1.878) 5.938 1.331 ( -3.934 -9.052 -3.938) 10.626 1.444 ( 0.492 5.317 3.997) 6.670 1.547 ( 0.850 -4.630 1.268) 4.875 1.715 ( -9.123 2.720 -1.173) 9.592 1.765 ( -7.854 -2.109 -0.753) 8.167 2.136 ( 3.459 7.456 3.916) 9.105 2.217 ( 1.489 0.771 -2.273) 2.825 2.324 ( -2.373 -0.622 2.009) 3.171 2.370 ( 0.205 -4.399 -2.175) 4.912 2.701 ( 6.664 5.674 3.904) 9.584 2.752 ( 5.521 2.849 7.166) 9.484 2.760 ( 7.050 -0.816 3.884) 8.090 2.837 ( 3.490 -4.609 3.434) 6.724 3.007 ( -3.284 2.214 -0.295) 3.972 3.055 ( -3.356 -2.055 -1.361) 4.164 3.317 ( 0.415 -1.062 -1.534) 1.911 3.325 ( -1.617 -1.737 -1.683) 2.909 3.447 ( 1.475 6.052 0.131) 6.231 3.557 ( -0.085 -4.408 -2.048) 4.861 3.876 ( -3.688 -1.864 -1.891) 4.544 3.891 ( -3.724 -2.618 -0.105) 4.553 4.207 ( 2.415 2.897 -0.467) 3.800 4.251 ( 0.654 -0.970 -0.984) 1.528 4.560 ( 6.982 6.751 3.206) 10.227 4.648 ( 3.862 -2.543 1.234) 4.786 4.834 ( 4.432 6.745 -0.308) 8.076 4.923 ( 0.854 -2.069 -0.872) 2.402 5.499 ( -3.109 3.540 1.472) 4.936 5.544 ( -2.662 -1.350 -0.139) 2.988 5.991 ( -0.665 2.885 2.184) 3.679 6.018 ( -1.243 -0.956 3.111) 3.483 6.309 ( 1.035 6.393 -3.703) 7.460 6.388 ( 0.438 -1.311 -5.483) 5.655 6.644 ( 0.139 -2.540 1.402) 2.905 6.651 ( 3.188 -3.004 0.308) 4.391 7.523 ( -1.029 0.707 -1.155) 1.701 7.597 ( -1.868 -6.652 -2.975) 7.523 7.643 ( -1.903 -0.485 -1.234) 2.319 7.670 ( -2.085 -3.065 -2.338) 4.383 7.932 ( 0.457 3.621 -0.286) 3.661 7.991 ( 1.084 -2.487 -0.343) 2.735 8.211 ( -0.406 0.324 -0.130) 0.536 8.222 ( -0.794 -0.622 0.062) 1.011 8.487 ( -0.351 1.601 -2.158) 2.710 8.522 ( -0.319 -1.960 -2.555) 3.236 8.717 ( -0.051 3.469 -1.670) 3.850 8.783 ( -0.885 -3.340 -1.489) 3.763 9.365 ( 0.726 0.791 0.287) 1.111 9.392 ( -2.122 -1.035 1.946) 3.059 9.592 ( 1.593 0.146 1.797) 2.406 9.623 ( -0.495 -2.498 2.228) 3.383 10.814 ( 1.425 0.465 -2.197) 2.659 10.817 ( 0.530 0.328 -2.202) 2.288 11.057 ( -4.285 5.705 -0.124) 7.136 11.175 ( -3.209 -6.436 -0.139) 7.193 11.344 ( 0.245 4.207 -0.066) 4.215 11.422 ( 0.619 -4.097 0.842) 4.228 11.594 ( 0.469 1.315 0.527) 1.492 11.627 ( -0.140 -2.030 -0.856) 2.208 12.465 ( 3.859 2.019 0.621) 4.399 12.493 ( 2.107 -0.951 -0.890) 2.477 12.922 ( -4.120 1.576 -1.472) 4.650 12.951 ( -2.368 -1.459 -0.483) 2.822 13.714 ( 0.709 8.896 1.289) 9.016 13.891 ( 1.454 -9.719 1.763) 9.984 14.378 ( 1.097 1.735 3.739) 4.266 14.418 ( 1.103 -2.382 3.590) 4.447 21.432 ( 1.436 0.511 -1.673) 2.263 21.461 ( 1.532 -2.550 -1.890) 3.525 21.641 ( -1.126 2.543 -1.002) 2.956 21.685 ( -2.220 -2.086 -1.992) 3.640 23.366 ( -0.814 4.377 0.221) 4.458 23.443 ( 0.271 -3.542 1.511) 3.860 23.640 ( 0.279 1.924 -0.707) 2.069 23.673 ( 1.350 -1.546 0.715) 2.173 23.809 ( 0.843 1.716 0.090) 1.913 23.841 ( 1.591 -1.631 0.247) 2.292 24.141 ( -2.735 2.016 -1.588) 3.751 24.163 ( -3.784 -0.389 -1.801) 4.208 24.773 ( 0.403 0.843 1.728) 1.965 24.791 ( -0.261 -0.870 3.044) 3.177 24.875 ( 0.203 0.299 -0.695) 0.783 24.888 ( -1.270 -0.871 -0.971) 1.821 25.789 ( -2.549 0.362 -0.633) 2.651 25.806 ( -2.280 -1.529 -1.117) 2.963 26.591 ( 1.962 8.744 2.168) 9.220 26.742 ( 2.548 -7.303 2.397) 8.098 27.629 ( -0.564 0.697 0.617) 1.088 27.638 ( -0.156 -0.324 0.588) 0.689 27.736 ( 0.254 1.433 -0.060) 1.457 27.756 ( 0.178 -0.610 -0.132) 0.649 29.399 ( -1.079 2.911 0.801) 3.206 29.456 ( -0.893 -3.085 0.788) 3.307 30.285 ( 0.351 5.027 0.364) 5.052 30.380 ( 0.529 -4.953 0.384) 4.996 47.680 ( -1.896 0.603 -0.233) 2.003 47.688 ( -1.896 -0.273 -0.174) 1.923 48.040 ( 1.451 1.556 -0.364) 2.159 48.064 ( 1.579 -1.116 -0.143) 1.939 88.819 ( 0.326 4.212 1.333) 4.431 88.914 ( -0.366 -5.703 1.938) 6.035 89.239 ( 1.007 12.077 -1.035) 12.163 89.514 ( 2.511 -17.129 0.918) 17.336 90.526 ( 4.140 2.814 -0.252) 5.012 90.548 ( 3.687 0.523 -0.365) 3.742 91.459 ( -5.059 10.061 -0.072) 11.262 91.583 ( -8.347 -2.794 -0.616) 8.824 ======================= Grid point 31 (20/116) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 0.000 -0.266 -0.000) 0.266 1.265 ( 0.000 -4.985 0.000) 4.985 1.486 ( 0.000 2.540 0.000) 2.540 1.555 ( -0.000 -2.515 0.000) 2.515 1.605 ( 0.000 3.132 -0.000) 3.132 1.666 ( -0.000 -3.252 -0.000) 3.252 2.187 ( 0.000 6.769 0.000) 6.769 2.260 ( 0.000 -0.144 0.000) 0.144 2.296 ( 0.000 3.737 0.000) 3.737 2.362 ( 0.000 -3.799 -0.000) 3.799 2.792 ( 0.000 3.904 0.000) 3.904 2.824 ( -0.000 7.420 -0.000) 7.420 2.865 ( -0.000 -4.487 -0.000) 4.487 2.906 ( 0.000 2.915 0.000) 2.915 2.945 ( 0.000 -5.488 0.000) 5.488 2.991 ( -0.000 -4.938 -0.000) 4.938 3.318 ( 0.000 -0.357 -0.000) 0.357 3.326 ( -0.000 -1.358 0.000) 1.358 3.471 ( 0.000 3.898 0.000) 3.898 3.550 ( 0.000 -2.715 0.000) 2.715 3.823 ( 0.000 -2.551 0.000) 2.551 3.848 ( 0.000 -3.777 0.000) 3.777 4.227 ( -0.000 2.214 -0.000) 2.214 4.244 ( 0.000 -0.033 0.000) 0.033 4.650 ( -0.000 5.433 -0.000) 5.433 4.672 ( 0.000 3.382 0.000) 3.382 4.881 ( 0.000 3.549 0.000) 3.549 4.917 ( 0.000 0.510 0.000) 0.510 5.478 ( 0.000 2.353 -0.000) 2.353 5.522 ( 0.000 -2.832 0.000) 2.832 6.000 ( 0.000 4.387 -0.000) 4.387 6.023 ( -0.000 0.893 0.000) 0.893 6.319 ( 0.000 1.715 0.000) 1.715 6.334 ( -0.000 -0.478 -0.000) 0.478 6.662 ( 0.000 -0.800 0.000) 0.800 6.677 ( 0.000 -2.286 -0.000) 2.286 7.507 ( 0.000 -0.600 0.000) 0.600 7.566 ( 0.000 -6.582 -0.000) 6.582 7.625 ( 0.000 -1.458 0.000) 1.458 7.632 ( -0.000 -1.933 -0.000) 1.933 7.937 ( 0.000 4.342 0.000) 4.342 8.000 ( 0.000 -2.316 0.000) 2.316 8.209 ( 0.000 0.194 0.000) 0.194 8.215 ( -0.000 -0.084 -0.000) 0.084 8.475 ( 0.000 0.834 0.000) 0.834 8.505 ( 0.000 -2.062 -0.000) 2.062 8.707 ( 0.000 3.017 0.000) 3.017 8.769 ( -0.000 -3.347 0.000) 3.347 9.375 ( 0.000 0.402 -0.000) 0.402 9.382 ( -0.000 -0.737 0.000) 0.737 9.620 ( 0.000 -0.890 -0.000) 0.890 9.623 ( -0.000 -1.156 0.000) 1.156 10.813 ( -0.000 0.956 0.000) 0.956 10.819 ( 0.000 0.106 -0.000) 0.106 11.016 ( 0.000 6.034 -0.000) 6.034 11.145 ( -0.000 -7.130 0.000) 7.130 11.346 ( 0.000 4.411 0.000) 4.411 11.431 ( 0.000 -4.593 0.000) 4.593 11.604 ( 0.000 0.330 0.000) 0.330 11.620 ( 0.000 -1.305 -0.000) 1.305 12.506 ( -0.000 0.481 0.000) 0.481 12.508 ( 0.000 0.287 -0.000) 0.287 12.875 ( 0.000 2.929 0.000) 2.929 12.927 ( 0.000 -2.620 0.000) 2.620 13.726 ( 0.000 9.605 0.000) 9.605 13.911 ( 0.000 -9.827 0.000) 9.827 14.406 ( 0.000 1.696 0.000) 1.696 14.445 ( 0.000 -2.327 0.000) 2.327 21.438 ( 0.000 0.349 0.000) 0.349 21.466 ( 0.000 -2.586 0.000) 2.586 21.628 ( 0.000 1.341 0.000) 1.341 21.649 ( 0.000 -0.863 0.000) 0.863 23.361 ( 0.000 4.824 0.000) 4.824 23.454 ( 0.000 -4.905 0.000) 4.905 23.638 ( 0.000 3.466 0.000) 3.466 23.688 ( 0.000 -1.965 -0.000) 1.965 23.815 ( 0.000 2.065 0.000) 2.065 23.856 ( -0.000 -2.180 0.000) 2.180 24.103 ( 0.000 2.095 0.000) 2.095 24.128 ( 0.000 -0.417 -0.000) 0.417 24.785 ( 0.000 0.956 -0.000) 0.956 24.802 ( -0.000 -0.788 0.000) 0.788 24.873 ( 0.000 -0.222 -0.000) 0.222 24.879 ( -0.000 -0.941 0.000) 0.941 25.764 ( 0.000 0.228 -0.000) 0.228 25.780 ( 0.000 -1.585 0.000) 1.585 26.618 ( 0.000 9.235 0.000) 9.235 26.774 ( 0.000 -7.420 0.000) 7.420 27.627 ( 0.000 0.866 0.000) 0.866 27.639 ( 0.000 -0.484 0.000) 0.484 27.738 ( 0.000 1.454 0.000) 1.454 27.756 ( 0.000 -0.444 0.000) 0.444 29.394 ( 0.000 3.019 0.000) 3.019 29.452 ( 0.000 -3.153 0.000) 3.153 30.290 ( 0.000 5.222 0.000) 5.222 30.386 ( 0.000 -4.940 0.000) 4.940 47.663 ( 0.000 0.603 0.000) 0.603 47.672 ( 0.000 -0.338 -0.000) 0.338 48.050 ( 0.000 1.682 0.000) 1.682 48.077 ( 0.000 -1.214 0.000) 1.214 88.830 ( 0.000 4.041 0.000) 4.041 88.923 ( 0.000 -5.795 0.000) 5.795 89.240 ( 0.000 13.451 0.000) 13.451 89.537 ( 0.000 -18.230 0.000) 18.230 90.564 ( 0.000 2.703 0.000) 2.703 90.577 ( -0.000 1.013 0.000) 1.013 91.416 ( 0.000 8.300 0.000) 8.300 91.507 ( 0.000 -1.238 0.000) 1.238 ======================= Grid point 63 (21/116) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( 1.719 0.000 22.194) 22.260 0.487 ( 4.176 0.000 23.202) 23.575 0.813 ( 21.003 0.000 38.822) 44.139 1.679 ( 4.107 0.000 3.560) 5.435 1.743 ( -0.174 0.000 -6.782) 6.784 1.827 ( 0.854 0.000 -4.337) 4.421 1.947 ( -2.154 0.000 4.089) 4.622 2.182 ( -3.799 0.000 3.513) 5.175 2.209 ( 3.357 0.000 5.611) 6.539 2.300 ( -2.933 0.000 0.896) 3.067 2.428 ( -0.145 0.000 -4.459) 4.462 2.645 ( 8.336 0.000 4.511) 9.478 2.837 ( -7.121 0.000 -4.742) 8.556 2.987 ( -8.550 0.000 -6.215) 10.570 3.058 ( -2.508 0.000 2.290) 3.397 3.175 ( 5.675 0.000 -1.223) 5.805 3.307 ( -0.031 0.000 3.102) 3.102 3.423 ( 0.984 0.000 0.242) 1.013 3.630 ( -1.430 0.000 1.105) 1.807 3.713 ( -16.208 0.000 0.515) 16.216 3.794 ( 0.378 0.000 3.658) 3.677 3.842 ( -2.328 0.000 -2.545) 3.449 3.911 ( -3.164 0.000 -0.542) 3.210 4.178 ( 1.199 0.000 -3.183) 3.401 4.283 ( 4.391 0.000 3.263) 5.471 4.760 ( 4.763 0.000 -6.777) 8.283 4.795 ( 15.489 0.000 -6.168) 16.672 4.912 ( -4.060 0.000 -0.709) 4.122 5.237 ( 2.905 0.000 5.011) 5.792 5.450 ( 5.070 0.000 3.404) 6.106 5.494 ( -5.004 0.000 2.916) 5.792 5.706 ( -3.357 0.000 3.455) 4.817 6.343 ( -0.041 0.000 -2.523) 2.524 6.447 ( 7.893 0.000 -1.936) 8.127 6.585 ( 2.110 0.000 -0.566) 2.185 7.046 ( -2.265 0.000 -5.365) 5.823 7.562 ( -0.528 0.000 1.185) 1.298 7.721 ( 1.289 0.000 0.909) 1.578 7.771 ( 1.010 0.000 0.653) 1.203 7.990 ( -0.974 0.000 -6.237) 6.312 8.116 ( -1.846 0.000 -6.227) 6.494 8.200 ( -3.001 0.000 2.025) 3.620 8.245 ( 1.779 0.000 -5.223) 5.518 8.379 ( -8.230 0.000 -3.374) 8.895 8.481 ( -2.252 0.000 -1.444) 2.675 8.522 ( -0.968 0.000 1.413) 1.713 8.705 ( 1.763 0.000 2.617) 3.155 8.921 ( -3.668 0.000 -1.819) 4.094 9.208 ( -2.347 0.000 3.384) 4.118 9.579 ( 1.344 0.000 -1.584) 2.077 9.621 ( 0.835 0.000 1.766) 1.953 9.842 ( 1.014 0.000 -0.735) 1.252 10.716 ( -0.860 0.000 -0.354) 0.930 10.824 ( -11.569 0.000 -3.141) 11.988 11.093 ( -4.722 0.000 2.326) 5.264 11.236 ( -1.593 0.000 1.078) 1.924 11.339 ( 1.664 0.000 -3.678) 4.036 11.515 ( 0.472 0.000 2.338) 2.385 11.539 ( -5.666 0.000 2.714) 6.282 11.633 ( 1.091 0.000 -0.291) 1.129 12.125 ( 0.476 0.000 2.674) 2.716 12.658 ( -4.496 0.000 -5.599) 7.181 12.839 ( 4.318 0.000 2.445) 4.962 13.165 ( -2.545 0.000 -1.940) 3.200 13.548 ( -2.619 0.000 4.843) 5.506 14.127 ( 0.671 0.000 4.588) 4.637 14.207 ( 46.131 0.000 -2.993) 46.228 14.308 ( 5.600 0.000 2.379) 6.085 21.396 ( -0.099 0.000 -0.836) 0.841 21.478 ( -7.788 0.000 -1.865) 8.008 21.585 ( 0.519 0.000 1.349) 1.446 21.877 ( -0.176 0.000 -1.790) 1.799 23.232 ( -0.524 0.000 0.656) 0.840 23.336 ( 0.320 0.000 -0.919) 0.973 23.573 ( 0.261 0.000 0.428) 0.501 23.739 ( 1.940 0.000 2.895) 3.485 23.746 ( 0.756 0.000 2.449) 2.563 23.910 ( -2.534 0.000 -0.440) 2.572 24.023 ( -1.049 0.000 -3.584) 3.735 24.288 ( 11.786 0.000 -3.047) 12.173 24.680 ( 0.989 0.000 0.627) 1.171 24.730 ( 2.403 0.000 1.912) 3.070 24.925 ( -1.288 0.000 3.009) 3.273 25.560 ( -31.699 0.000 -1.777) 31.749 25.938 ( 0.003 0.000 -0.690) 0.690 25.978 ( 2.630 0.000 -3.489) 4.369 26.106 ( -3.321 0.000 3.152) 4.579 26.373 ( 35.519 0.000 0.829) 35.529 27.514 ( 0.342 0.000 0.723) 0.800 27.638 ( 0.338 0.000 0.136) 0.364 27.710 ( -0.080 0.000 0.831) 0.835 27.752 ( -0.074 0.000 -0.506) 0.512 29.572 ( 0.695 0.000 2.404) 2.503 30.031 ( -16.451 0.000 -2.917) 16.707 30.201 ( -5.675 0.000 1.842) 5.967 30.522 ( 1.830 0.000 -2.027) 2.731 47.685 ( 1.054 0.000 1.061) 1.496 47.821 ( -1.419 0.000 0.047) 1.419 47.921 ( -1.253 0.000 -0.291) 1.286 47.941 ( 2.616 0.000 -0.948) 2.782 88.756 ( -0.040 0.000 -0.282) 0.284 88.808 ( 1.548 0.000 -1.733) 2.324 89.457 ( -5.205 0.000 6.692) 8.478 90.268 ( 47.546 0.000 -3.014) 47.641 90.287 ( 0.836 0.000 0.161) 0.852 90.322 ( 21.874 0.000 -0.027) 21.874 90.780 ( -0.071 0.000 0.547) 0.551 91.036 ( 18.459 0.000 -2.279) 18.599 ======================= Grid point 64 (22/116) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 4.907 0.000 21.352) 21.909 0.774 ( 3.708 0.000 20.285) 20.621 1.546 ( 20.413 0.000 25.974) 33.035 1.654 ( -0.143 0.000 -9.417) 9.418 1.750 ( 0.099 0.000 2.743) 2.744 1.879 ( 4.887 0.000 2.485) 5.482 1.961 ( -14.444 0.000 -5.628) 15.502 2.001 ( 7.878 0.000 2.080) 8.147 2.285 ( -6.575 0.000 1.640) 6.777 2.382 ( 9.364 0.000 7.809) 12.193 2.494 ( 4.611 0.000 4.212) 6.246 2.701 ( -4.467 0.000 -1.146) 4.612 2.752 ( -7.159 0.000 -7.445) 10.328 2.805 ( 3.957 0.000 6.112) 7.281 3.081 ( 0.032 0.000 4.574) 4.574 3.168 ( -2.079 0.000 -8.985) 9.222 3.342 ( 0.370 0.000 3.502) 3.521 3.456 ( 2.853 0.000 1.717) 3.330 3.562 ( -7.381 0.000 5.952) 9.482 3.617 ( -0.478 0.000 1.626) 1.695 3.802 ( -0.740 0.000 -1.419) 1.601 3.848 ( -3.582 0.000 -1.747) 3.985 3.892 ( 5.551 0.000 3.608) 6.620 4.194 ( 3.656 0.000 -2.349) 4.346 4.416 ( 6.018 0.000 4.675) 7.621 4.657 ( -13.868 0.000 -4.065) 14.451 4.756 ( 1.722 0.000 -3.859) 4.225 4.909 ( 6.630 0.000 -18.825) 19.958 5.318 ( 1.712 0.000 5.432) 5.695 5.491 ( 2.352 0.000 1.341) 2.708 5.640 ( 9.960 0.000 2.144) 10.188 5.681 ( -3.055 0.000 2.005) 3.654 6.283 ( -3.200 0.000 -3.095) 4.452 6.506 ( 2.041 0.000 -2.044) 2.889 6.628 ( 2.387 0.000 0.671) 2.480 6.937 ( -2.953 0.000 -7.661) 8.210 7.571 ( 0.042 0.000 2.594) 2.594 7.766 ( 1.781 0.000 1.154) 2.122 7.769 ( -0.554 0.000 -0.259) 0.612 7.902 ( -1.036 0.000 -7.371) 7.444 8.006 ( -2.484 0.000 -8.118) 8.490 8.153 ( -3.748 0.000 0.187) 3.753 8.234 ( 1.870 0.000 -4.369) 4.752 8.285 ( -2.621 0.000 -0.169) 2.626 8.452 ( 0.536 0.000 -0.634) 0.830 8.499 ( -3.135 0.000 1.828) 3.629 8.758 ( 1.054 0.000 2.970) 3.151 8.857 ( -2.668 0.000 -1.677) 3.151 9.211 ( -0.397 0.000 2.681) 2.711 9.593 ( 1.992 0.000 -1.284) 2.371 9.633 ( -0.966 0.000 2.253) 2.451 9.835 ( -1.048 0.000 -0.783) 1.308 10.699 ( -0.459 0.000 -0.755) 0.884 10.728 ( -0.562 0.000 -1.642) 1.736 11.049 ( -2.332 0.000 0.060) 2.333 11.221 ( -2.555 0.000 3.098) 4.016 11.332 ( 1.563 0.000 -3.151) 3.517 11.549 ( 0.497 0.000 2.858) 2.901 11.562 ( 1.150 0.000 4.557) 4.700 11.649 ( 1.270 0.000 -0.561) 1.389 12.183 ( 2.901 0.000 4.091) 5.015 12.538 ( -2.957 0.000 -5.236) 6.013 12.928 ( 3.353 0.000 2.340) 4.089 13.081 ( -4.870 0.000 -3.315) 5.891 13.539 ( -3.943 0.000 4.001) 5.618 14.185 ( 0.429 0.000 5.055) 5.073 14.341 ( 2.126 0.000 1.113) 2.400 14.548 ( 9.080 0.000 -8.481) 12.425 21.402 ( 1.827 0.000 -0.249) 1.844 21.444 ( 2.758 0.000 -4.707) 5.456 21.609 ( 0.342 0.000 1.888) 1.919 21.842 ( -1.455 0.000 -2.893) 3.238 23.230 ( -0.323 0.000 0.476) 0.576 23.338 ( 1.118 0.000 -0.892) 1.430 23.627 ( 3.764 0.000 2.228) 4.374 23.774 ( -1.407 0.000 2.231) 2.638 23.816 ( 2.961 0.000 3.827) 4.839 23.817 ( -4.762 0.000 -3.720) 6.043 23.988 ( -0.195 0.000 -0.964) 0.983 24.297 ( -0.930 0.000 -7.089) 7.149 24.711 ( 1.863 0.000 0.102) 1.866 24.780 ( 2.555 0.000 -0.752) 2.663 24.954 ( -1.030 0.000 7.263) 7.336 25.156 ( -20.961 0.000 9.951) 23.203 25.902 ( -2.908 0.000 -1.013) 3.079 25.991 ( 2.388 0.000 -2.227) 3.265 26.093 ( -1.406 0.000 1.241) 1.876 26.734 ( 15.741 0.000 -7.253) 17.332 27.559 ( 3.669 0.000 -1.252) 3.877 27.635 ( -0.796 0.000 0.049) 0.798 27.713 ( -0.660 0.000 0.726) 0.981 27.746 ( -0.099 0.000 -0.428) 0.440 29.604 ( -0.599 0.000 3.507) 3.558 29.685 ( -20.967 0.000 7.464) 22.256 30.182 ( -1.532 0.000 0.817) 1.736 30.531 ( 1.352 0.000 -1.466) 1.995 47.707 ( -0.422 0.000 2.079) 2.122 47.763 ( -3.995 0.000 -0.741) 4.063 47.907 ( 0.597 0.000 -1.186) 1.328 47.995 ( 4.070 0.000 -0.246) 4.078 88.756 ( 0.355 0.000 -0.493) 0.608 88.820 ( 1.689 0.000 -1.386) 2.184 89.411 ( -7.171 0.000 4.694) 8.571 90.289 ( -0.215 0.000 -0.550) 0.591 90.326 ( 3.182 0.000 0.750) 3.269 90.696 ( 9.626 0.000 -6.780) 11.773 90.771 ( -1.694 0.000 0.622) 1.804 91.232 ( 8.973 0.000 -11.344) 14.464 ======================= Grid point 65 (23/116) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -2.843 0.000 13.102) 13.407 1.016 ( 4.628 0.000 19.618) 20.156 1.589 ( 2.503 0.000 -6.326) 6.803 1.685 ( -11.022 0.000 -6.598) 12.846 1.697 ( -6.415 0.000 2.871) 7.029 1.754 ( 2.307 0.000 -5.578) 6.036 2.087 ( 7.605 0.000 1.352) 7.724 2.105 ( -12.401 0.000 -5.030) 13.382 2.252 ( 9.865 0.000 11.669) 15.280 2.480 ( -6.419 0.000 2.428) 6.863 2.657 ( -1.018 0.000 0.460) 1.117 2.680 ( 15.049 0.000 10.672) 18.449 2.748 ( 5.057 0.000 1.637) 5.316 2.887 ( -0.575 0.000 2.126) 2.202 3.033 ( 1.216 0.000 -9.658) 9.734 3.146 ( 2.279 0.000 6.331) 6.729 3.370 ( -0.563 0.000 0.304) 0.640 3.481 ( -0.650 0.000 -1.073) 1.254 3.543 ( -2.177 0.000 7.670) 7.973 3.674 ( 3.321 0.000 3.392) 4.747 3.738 ( -4.027 0.000 -3.095) 5.079 3.816 ( -1.289 0.000 1.458) 1.946 3.995 ( 5.395 0.000 -0.947) 5.477 4.239 ( 4.012 0.000 -1.761) 4.382 4.411 ( -9.577 0.000 -4.435) 10.554 4.541 ( 3.686 0.000 3.947) 5.401 4.754 ( -1.604 0.000 -17.688) 17.760 4.756 ( -0.360 0.000 1.525) 1.567 5.398 ( 1.560 0.000 4.921) 5.162 5.593 ( 7.975 0.000 1.318) 8.083 5.647 ( -1.897 0.000 0.120) 1.901 5.787 ( 6.281 0.000 1.289) 6.412 6.193 ( -4.407 0.000 -2.450) 5.042 6.502 ( -0.176 0.000 -0.626) 0.650 6.659 ( 0.230 0.000 1.044) 1.069 6.810 ( -3.129 0.000 -7.528) 8.152 7.619 ( 1.302 0.000 4.621) 4.801 7.746 ( -3.486 0.000 -2.406) 4.235 7.763 ( 0.294 0.000 -0.597) 0.666 7.866 ( 3.639 0.000 -4.050) 5.445 7.891 ( -1.995 0.000 -6.996) 7.275 8.096 ( -3.367 0.000 0.564) 3.414 8.203 ( -0.546 0.000 -3.698) 3.738 8.263 ( -0.841 0.000 0.405) 0.933 8.481 ( -1.223 0.000 2.218) 2.532 8.492 ( 3.878 0.000 1.014) 4.009 8.785 ( -1.057 0.000 2.212) 2.452 8.798 ( -2.180 0.000 -2.014) 2.968 9.245 ( 1.487 0.000 1.860) 2.381 9.615 ( 2.274 0.000 -1.283) 2.610 9.638 ( -0.617 0.000 1.372) 1.504 9.794 ( -2.614 0.000 -1.202) 2.878 10.687 ( -0.373 0.000 -0.401) 0.547 10.728 ( 2.085 0.000 -1.642) 2.654 11.018 ( -2.122 0.000 1.006) 2.349 11.212 ( -2.158 0.000 2.806) 3.539 11.327 ( 1.023 0.000 -2.210) 2.435 11.583 ( 0.573 0.000 1.913) 1.997 11.618 ( 0.886 0.000 2.610) 2.756 11.663 ( 1.360 0.000 -0.843) 1.600 12.302 ( 5.941 0.000 5.311) 7.969 12.468 ( -0.410 0.000 -3.684) 3.707 12.946 ( -7.039 0.000 -4.163) 8.178 12.990 ( 1.594 0.000 2.035) 2.585 13.498 ( -4.706 0.000 2.294) 5.235 14.232 ( -0.105 0.000 3.518) 3.519 14.374 ( 1.689 0.000 -1.028) 1.977 14.547 ( 0.810 0.000 -4.669) 4.739 21.444 ( 2.651 0.000 -4.046) 4.838 21.457 ( 4.175 0.000 1.606) 4.474 21.629 ( -0.332 0.000 2.080) 2.107 21.771 ( -3.212 0.000 -3.859) 5.021 23.230 ( -0.239 0.000 0.359) 0.431 23.354 ( 1.767 0.000 -0.793) 1.937 23.677 ( -4.914 0.000 -3.552) 6.063 23.722 ( 4.256 0.000 3.455) 5.481 23.775 ( -2.656 0.000 0.906) 2.807 23.889 ( 1.931 0.000 2.092) 2.847 23.995 ( 0.797 0.000 0.821) 1.144 24.190 ( -3.734 0.000 -5.225) 6.422 24.733 ( 1.266 0.000 -0.841) 1.520 24.798 ( 2.304 0.000 -3.057) 3.828 24.998 ( -10.278 0.000 6.653) 12.244 25.021 ( -1.661 0.000 9.517) 9.660 25.842 ( -2.877 0.000 -0.904) 3.016 26.011 ( 2.033 0.000 -1.110) 2.316 26.077 ( -0.970 0.000 -0.380) 1.042 26.855 ( 8.109 0.000 -5.241) 9.655 27.595 ( 2.391 0.000 -1.143) 2.650 27.617 ( -1.174 0.000 -0.377) 1.233 27.702 ( -1.308 0.000 0.559) 1.422 27.741 ( -0.121 0.000 -0.015) 0.122 29.487 ( -12.108 0.000 5.147) 13.156 29.615 ( -2.118 0.000 3.165) 3.808 30.156 ( -2.456 0.000 0.713) 2.558 30.537 ( 0.866 0.000 -1.016) 1.335 47.696 ( -3.167 0.000 -0.752) 3.255 47.708 ( -1.776 0.000 1.709) 2.465 47.919 ( 2.001 0.000 -0.858) 2.177 48.055 ( 3.337 0.000 -0.181) 3.341 88.756 ( 0.360 0.000 -0.733) 0.816 88.834 ( 1.594 0.000 -1.128) 1.953 89.327 ( -6.952 0.000 2.395) 7.353 90.285 ( 0.390 0.000 -0.491) 0.627 90.400 ( 4.782 0.000 0.955) 4.876 90.735 ( -3.420 0.000 0.325) 3.435 90.735 ( 2.997 0.000 -3.510) 4.615 91.187 ( -0.125 0.000 -9.016) 9.017 ======================= Grid point 66 (24/116) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -7.916 0.000 2.067) 8.181 1.208 ( -3.863 0.000 13.862) 14.390 1.466 ( -6.880 0.000 -4.873) 8.431 1.610 ( -4.760 0.000 2.568) 5.409 1.648 ( 6.564 0.000 -1.053) 6.648 1.738 ( 3.872 0.000 -7.121) 8.105 1.892 ( -5.933 0.000 -3.293) 6.786 2.162 ( 3.773 0.000 -3.187) 4.939 2.403 ( -5.824 0.000 0.694) 5.865 2.411 ( 0.907 0.000 5.322) 5.398 2.636 ( -0.768 0.000 -1.873) 2.024 2.746 ( -0.233 0.000 -7.627) 7.630 2.903 ( 2.407 0.000 0.209) 2.416 2.922 ( 4.382 0.000 2.779) 5.189 3.049 ( 3.064 0.000 1.216) 3.297 3.246 ( -0.688 0.000 -1.955) 2.073 3.345 ( 0.063 0.000 2.769) 2.770 3.454 ( 0.071 0.000 -1.988) 1.989 3.643 ( -0.644 0.000 7.683) 7.710 3.658 ( -1.656 0.000 0.537) 1.741 3.729 ( 0.714 0.000 -0.287) 0.769 3.757 ( -4.017 0.000 -0.217) 4.023 4.062 ( 5.060 0.000 -2.282) 5.551 4.279 ( 2.637 0.000 -1.722) 3.149 4.292 ( -1.143 0.000 -5.126) 5.252 4.594 ( -0.632 0.000 1.075) 1.247 4.612 ( 2.456 0.000 -5.458) 5.985 4.756 ( -2.757 0.000 2.823) 3.946 5.456 ( -0.244 0.000 4.568) 4.574 5.615 ( -1.449 0.000 2.012) 2.479 5.782 ( 11.985 0.000 0.977) 12.025 5.873 ( 2.993 0.000 1.081) 3.182 6.098 ( -5.709 0.000 -0.136) 5.710 6.501 ( -0.114 0.000 0.799) 0.807 6.656 ( -1.409 0.000 0.523) 1.503 6.714 ( -0.061 0.000 -5.435) 5.435 7.654 ( -3.160 0.000 -0.436) 3.190 7.704 ( 1.603 0.000 3.387) 3.747 7.757 ( 0.154 0.000 -2.043) 2.049 7.830 ( 1.060 0.000 -2.731) 2.929 7.894 ( 3.317 0.000 -1.944) 3.845 8.068 ( -1.829 0.000 2.721) 3.279 8.165 ( -0.223 0.000 -1.895) 1.908 8.256 ( -0.762 0.000 0.724) 1.051 8.495 ( -0.308 0.000 2.481) 2.500 8.578 ( 4.518 0.000 1.506) 4.763 8.756 ( -0.510 0.000 -1.761) 1.834 8.762 ( -3.651 0.000 0.922) 3.765 9.283 ( 0.983 0.000 1.231) 1.575 9.636 ( -0.572 0.000 0.113) 0.583 9.639 ( 2.355 0.000 -1.734) 2.924 9.738 ( -2.365 0.000 -1.391) 2.744 10.685 ( -0.037 0.000 1.093) 1.093 10.759 ( 3.095 0.000 -0.600) 3.153 11.001 ( -2.526 0.000 3.398) 4.234 11.205 ( -1.409 0.000 1.672) 2.187 11.323 ( 0.713 0.000 -1.415) 1.584 11.594 ( 0.112 0.000 -1.244) 1.249 11.635 ( -0.515 0.000 0.293) 0.593 11.678 ( 0.871 0.000 0.052) 0.873 12.447 ( 1.247 0.000 -2.336) 2.648 12.452 ( 4.740 0.000 4.288) 6.392 12.796 ( -5.463 0.000 -2.807) 6.142 13.021 ( 0.076 0.000 1.795) 1.797 13.444 ( -3.329 0.000 0.856) 3.438 14.243 ( -1.191 0.000 0.774) 1.421 14.370 ( 1.234 0.000 -4.712) 4.871 14.513 ( -0.194 0.000 -2.967) 2.973 21.457 ( 2.582 0.000 -1.801) 3.149 21.560 ( 4.646 0.000 3.050) 5.558 21.642 ( -0.640 0.000 2.630) 2.707 21.676 ( -3.237 0.000 -3.158) 4.523 23.230 ( -0.202 0.000 0.373) 0.424 23.375 ( 1.653 0.000 -0.812) 1.842 23.600 ( -1.452 0.000 -0.766) 1.641 23.730 ( -2.592 0.000 -0.582) 2.657 23.811 ( 1.649 0.000 2.481) 2.979 23.910 ( 0.384 0.000 -0.410) 0.562 24.017 ( 0.343 0.000 1.239) 1.286 24.102 ( -1.773 0.000 -2.754) 3.276 24.737 ( 0.749 0.000 -1.645) 1.808 24.801 ( 2.392 0.000 -4.096) 4.743 24.918 ( -6.019 0.000 3.010) 6.730 25.058 ( -4.587 0.000 7.743) 9.000 25.799 ( -1.379 0.000 -0.768) 1.578 26.030 ( 1.272 0.000 -0.643) 1.425 26.069 ( 0.332 0.000 0.564) 0.655 26.912 ( 4.977 0.000 -4.711) 6.853 27.594 ( -0.751 0.000 -0.903) 1.175 27.617 ( 1.520 0.000 -0.688) 1.668 27.688 ( -1.104 0.000 0.836) 1.385 27.742 ( -0.082 0.000 0.484) 0.490 29.375 ( -6.849 0.000 3.021) 7.486 29.598 ( -2.733 0.000 1.560) 3.147 30.123 ( -2.054 0.000 0.465) 2.106 30.537 ( 0.404 0.000 -0.999) 1.078 47.651 ( -1.481 0.000 -0.562) 1.584 47.688 ( -1.744 0.000 0.443) 1.800 47.948 ( 1.674 0.000 0.223) 1.689 48.095 ( 1.853 0.000 -0.307) 1.879 88.754 ( 0.384 0.000 -0.996) 1.068 88.848 ( 1.245 0.000 -0.895) 1.533 89.249 ( -4.157 0.000 0.968) 4.268 90.292 ( 0.648 0.000 -0.072) 0.651 90.492 ( 5.202 0.000 0.890) 5.278 90.667 ( -4.803 0.000 -0.380) 4.818 90.745 ( 1.835 0.000 -2.189) 2.857 91.083 ( -0.552 0.000 -10.896) 10.910 ======================= Grid point 67 (25/116) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -6.903 0.000 -4.025) 7.991 1.122 ( -14.774 0.000 3.355) 15.150 1.387 ( 3.494 0.000 -4.104) 5.390 1.608 ( -1.694 0.000 3.111) 3.542 1.767 ( 6.214 0.000 3.364) 7.066 1.771 ( 6.689 0.000 -2.910) 7.295 1.871 ( 3.166 0.000 2.028) 3.760 2.163 ( 1.640 0.000 -4.930) 5.196 2.310 ( -2.688 0.000 -3.628) 4.515 2.364 ( -8.420 0.000 -5.233) 9.913 2.625 ( 0.182 0.000 1.683) 1.693 2.675 ( 1.683 0.000 -9.091) 9.245 2.906 ( -7.511 0.000 -3.974) 8.498 2.913 ( -1.223 0.000 -0.553) 1.343 3.067 ( -6.484 0.000 -12.066) 13.698 3.131 ( 3.836 0.000 4.164) 5.662 3.375 ( 0.663 0.000 0.637) 0.920 3.454 ( 1.462 0.000 -1.150) 1.860 3.529 ( -7.519 0.000 -1.356) 7.640 3.695 ( -2.039 0.000 -3.521) 4.069 3.697 ( 1.735 0.000 2.911) 3.389 3.818 ( -0.154 0.000 6.309) 6.311 4.108 ( 2.882 0.000 -2.258) 3.661 4.244 ( 2.689 0.000 -3.656) 4.539 4.270 ( -2.421 0.000 -2.262) 3.313 4.552 ( -1.075 0.000 -3.979) 4.121 4.722 ( -4.020 0.000 1.498) 4.290 4.772 ( 12.967 0.000 6.896) 14.686 5.478 ( -2.549 0.000 4.789) 5.425 5.638 ( 0.007 0.000 4.474) 4.474 5.903 ( -0.862 0.000 1.245) 1.515 5.972 ( 4.719 0.000 2.008) 5.129 6.010 ( -2.702 0.000 2.524) 3.697 6.495 ( -1.184 0.000 -0.944) 1.514 6.635 ( -0.781 0.000 -0.555) 0.958 6.736 ( 6.691 0.000 -0.236) 6.695 7.591 ( -2.736 0.000 -1.775) 3.261 7.734 ( 0.383 0.000 -2.799) 2.825 7.771 ( 1.134 0.000 4.687) 4.822 7.872 ( 4.437 0.000 1.280) 4.618 7.943 ( 3.474 0.000 0.342) 3.491 8.085 ( -0.999 0.000 5.049) 5.147 8.166 ( 1.767 0.000 -0.990) 2.025 8.255 ( -0.499 0.000 1.992) 2.054 8.509 ( -1.102 0.000 2.629) 2.851 8.637 ( -0.507 0.000 1.282) 1.379 8.703 ( -2.153 0.000 -0.713) 2.268 8.750 ( 1.515 0.000 -1.134) 1.892 9.295 ( -0.755 0.000 0.811) 1.108 9.619 ( -0.934 0.000 -1.066) 1.418 9.652 ( 1.195 0.000 -2.321) 2.611 9.705 ( 0.499 0.000 -1.217) 1.315 10.708 ( 0.381 0.000 2.740) 2.766 10.812 ( 3.259 0.000 0.618) 3.317 11.008 ( -2.242 0.000 6.166) 6.561 11.199 ( -0.870 0.000 0.872) 1.232 11.325 ( 1.145 0.000 -1.087) 1.578 11.563 ( -0.912 0.000 -3.255) 3.380 11.608 ( -1.924 0.000 -1.969) 2.753 11.683 ( -0.161 0.000 -0.620) 0.640 12.441 ( -6.698 0.000 -2.283) 7.076 12.460 ( 2.349 0.000 -0.949) 2.533 12.809 ( 5.856 0.000 4.027) 7.107 13.027 ( -1.306 0.000 1.354) 1.881 13.421 ( -0.335 0.000 1.014) 1.068 14.208 ( -2.341 0.000 -1.939) 3.039 14.329 ( 1.019 0.000 -6.896) 6.971 14.478 ( 0.348 0.000 -5.061) 5.073 21.490 ( 2.435 0.000 -0.190) 2.442 21.549 ( -3.826 0.000 -2.100) 4.365 21.668 ( -0.090 0.000 4.295) 4.296 21.718 ( 5.099 0.000 3.976) 6.466 23.231 ( -0.182 0.000 0.501) 0.533 23.386 ( 0.560 0.000 -0.805) 0.981 23.619 ( 2.492 0.000 2.627) 3.621 23.695 ( -0.251 0.000 -1.428) 1.450 23.787 ( -3.218 0.000 -1.915) 3.744 23.919 ( -0.913 0.000 0.044) 0.914 24.025 ( -0.616 0.000 0.882) 1.076 24.083 ( 2.334 0.000 -1.915) 3.018 24.726 ( 0.291 0.000 -2.493) 2.510 24.791 ( 1.758 0.000 -5.248) 5.534 24.856 ( -4.065 0.000 1.312) 4.272 25.025 ( -6.449 0.000 4.702) 7.981 25.785 ( 0.511 0.000 -0.348) 0.618 26.037 ( 0.496 0.000 -0.882) 1.012 26.102 ( 1.212 0.000 3.065) 3.296 26.923 ( 2.384 0.000 -5.328) 5.837 27.578 ( 0.202 0.000 -1.172) 1.189 27.634 ( 1.437 0.000 -0.794) 1.642 27.689 ( -0.248 0.000 1.706) 1.724 27.747 ( -0.039 0.000 0.737) 0.738 29.321 ( -3.104 0.000 2.335) 3.885 29.564 ( -1.977 0.000 -0.227) 1.990 30.104 ( -0.609 0.000 0.340) 0.698 30.530 ( 0.233 0.000 -1.608) 1.625 47.639 ( 0.469 0.000 -0.308) 0.561 47.664 ( -0.943 0.000 -0.628) 1.133 47.972 ( 0.410 0.000 1.078) 1.153 48.107 ( 0.034 0.000 -0.512) 0.513 88.750 ( 0.481 0.000 -1.167) 1.262 88.852 ( 0.350 0.000 -1.191) 1.242 89.228 ( 0.134 0.000 1.826) 1.831 90.302 ( 0.464 0.000 0.147) 0.487 90.551 ( -3.318 0.000 0.362) 3.337 90.604 ( 2.412 0.000 -0.790) 2.538 90.754 ( 1.262 0.000 -1.168) 1.719 90.956 ( 1.509 0.000 -16.918) 16.985 ======================= Grid point 68 (26/116) ======================= q-point: (-0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -8.325 0.000 -6.739) 10.711 0.867 ( -18.027 0.000 1.012) 18.055 1.493 ( 11.349 0.000 -1.232) 11.415 1.571 ( -4.265 0.000 -3.584) 5.571 1.844 ( 1.357 0.000 -3.125) 3.407 1.890 ( 3.376 0.000 5.542) 6.489 1.998 ( 8.541 0.000 1.645) 8.698 2.035 ( -14.973 0.000 -12.070) 19.232 2.137 ( -0.585 0.000 -4.547) 4.584 2.293 ( 5.190 0.000 -2.929) 5.960 2.527 ( -12.044 0.000 -12.286) 17.205 2.633 ( 4.081 0.000 -7.278) 8.344 2.733 ( -2.522 0.000 6.619) 7.084 2.859 ( -4.238 0.000 -1.069) 4.370 2.946 ( -1.257 0.000 -4.698) 4.864 3.246 ( 4.336 0.000 4.496) 6.246 3.393 ( 0.556 0.000 -0.617) 0.831 3.403 ( -5.806 0.000 -0.711) 5.849 3.463 ( 0.960 0.000 -1.516) 1.794 3.614 ( -3.129 0.000 -3.113) 4.413 3.784 ( 3.937 0.000 4.060) 5.656 3.836 ( -1.492 0.000 3.278) 3.602 4.072 ( -6.802 0.000 -2.650) 7.300 4.182 ( -0.227 0.000 -5.177) 5.182 4.333 ( 8.835 0.000 1.467) 8.955 4.520 ( 0.529 0.000 -3.775) 3.812 4.664 ( -2.396 0.000 -0.944) 2.575 5.050 ( 12.345 0.000 3.731) 12.897 5.475 ( -4.285 0.000 6.641) 7.903 5.683 ( -1.210 0.000 5.695) 5.822 5.867 ( -4.821 0.000 0.917) 4.908 5.877 ( -11.279 0.000 5.409) 12.509 6.139 ( 7.548 0.000 0.134) 7.550 6.454 ( -0.427 0.000 -3.848) 3.871 6.625 ( 0.509 0.000 -1.339) 1.432 6.891 ( 8.918 0.000 3.037) 9.421 7.539 ( -1.563 0.000 -1.252) 2.002 7.718 ( 0.821 0.000 -2.479) 2.611 7.818 ( -0.558 0.000 2.817) 2.871 7.981 ( 5.978 0.000 2.628) 6.530 8.002 ( 2.760 0.000 1.077) 2.962 8.130 ( -0.643 0.000 6.691) 6.722 8.179 ( 1.803 0.000 -2.541) 3.115 8.305 ( 1.877 0.000 6.236) 6.512 8.508 ( -2.018 0.000 2.213) 2.995 8.582 ( -5.215 0.000 1.509) 5.429 8.696 ( 0.946 0.000 -2.024) 2.234 8.779 ( 2.867 0.000 -0.505) 2.911 9.276 ( -2.368 0.000 0.647) 2.454 9.588 ( -1.150 0.000 -1.704) 2.056 9.631 ( -0.509 0.000 -2.126) 2.186 9.732 ( 3.734 0.000 -1.441) 4.002 10.738 ( -0.428 0.000 2.730) 2.763 10.874 ( 2.817 0.000 2.104) 3.516 11.048 ( -1.649 0.000 8.447) 8.606 11.197 ( -0.357 0.000 1.180) 1.233 11.340 ( 1.929 0.000 -1.205) 2.275 11.514 ( -0.998 0.000 -2.872) 3.041 11.533 ( -3.555 0.000 -4.331) 5.603 11.662 ( -0.644 0.000 -1.963) 2.066 12.290 ( -7.577 0.000 -2.235) 7.899 12.505 ( 3.452 0.000 0.507) 3.489 12.967 ( 6.857 0.000 4.517) 8.211 13.003 ( -2.724 0.000 0.333) 2.744 13.450 ( 1.345 0.000 2.621) 2.947 14.140 ( -2.469 0.000 -3.128) 3.985 14.275 ( 1.437 0.000 -8.088) 8.214 14.411 ( 0.469 0.000 -11.186) 11.196 21.478 ( -2.966 0.000 -0.822) 3.078 21.524 ( 1.832 0.000 -0.057) 1.833 21.733 ( 1.230 0.000 7.344) 7.447 21.825 ( 3.301 0.000 2.948) 4.425 23.233 ( -0.256 0.000 0.658) 0.706 23.378 ( -0.569 0.000 -0.702) 0.904 23.687 ( 1.453 0.000 -0.158) 1.462 23.716 ( -3.126 0.000 -1.038) 3.294 23.728 ( 5.242 0.000 3.322) 6.206 23.861 ( -4.087 0.000 -2.065) 4.579 24.020 ( -0.578 0.000 0.708) 0.914 24.108 ( 3.780 0.000 -6.571) 7.581 24.698 ( -0.504 0.000 -2.278) 2.333 24.754 ( 0.344 0.000 -5.711) 5.721 24.822 ( -2.335 0.000 3.073) 3.859 24.965 ( -5.010 0.000 3.035) 5.858 25.809 ( 2.271 0.000 0.414) 2.309 26.030 ( 0.129 0.000 -1.566) 1.571 26.150 ( -0.264 0.000 4.281) 4.289 26.886 ( 0.647 0.000 -7.121) 7.150 27.580 ( 1.263 0.000 -1.012) 1.618 27.649 ( 1.733 0.000 -1.478) 2.278 27.710 ( 0.302 0.000 2.247) 2.268 27.753 ( -0.038 0.000 0.589) 0.591 29.320 ( -0.725 0.000 4.061) 4.125 29.536 ( -0.529 0.000 -1.151) 1.267 30.112 ( 0.938 0.000 0.706) 1.173 30.517 ( 0.699 0.000 -2.399) 2.498 47.648 ( 0.053 0.000 -1.133) 1.134 47.660 ( 2.326 0.000 -0.074) 2.327 47.980 ( -0.953 0.000 1.463) 1.746 48.086 ( -1.817 0.000 -0.819) 1.993 88.747 ( 0.586 0.000 -1.155) 1.295 88.837 ( -0.080 0.000 -1.990) 1.991 89.284 ( 2.496 0.000 4.539) 5.180 90.304 ( 0.249 0.000 -1.300) 1.323 90.454 ( -5.929 0.000 -0.979) 6.009 90.671 ( 4.162 0.000 -0.021) 4.162 90.715 ( -2.064 0.000 -14.095) 14.246 90.829 ( 5.567 0.000 -14.324) 15.368 ======================= Grid point 69 (27/116) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.397 ( -12.015 0.000 -3.771) 12.592 0.584 ( -18.622 0.000 2.869) 18.842 1.176 ( -30.794 0.000 -18.590) 35.970 1.670 ( 9.675 0.000 -0.282) 9.679 1.684 ( -3.642 0.000 -2.807) 4.598 1.929 ( -0.782 0.000 -3.650) 3.733 1.988 ( 4.552 0.000 1.573) 4.816 2.091 ( 0.834 0.000 -5.717) 5.777 2.163 ( 8.345 0.000 4.946) 9.701 2.253 ( -7.021 0.000 -5.817) 9.118 2.365 ( 5.587 0.000 -3.193) 6.435 2.696 ( 4.580 0.000 -3.186) 5.579 2.783 ( 0.969 0.000 0.324) 1.022 2.819 ( 0.837 0.000 11.834) 11.864 2.907 ( -0.460 0.000 0.358) 0.583 3.292 ( -1.892 0.000 -2.186) 2.891 3.314 ( -3.654 0.000 -0.049) 3.654 3.406 ( 0.222 0.000 1.585) 1.601 3.471 ( 0.573 0.000 0.489) 0.754 3.572 ( 0.914 0.000 0.462) 1.024 3.854 ( -0.166 0.000 2.633) 2.638 3.878 ( 2.517 0.000 3.364) 4.201 3.891 ( -9.302 0.000 -2.950) 9.759 4.166 ( 2.906 0.000 -4.293) 5.184 4.436 ( -7.704 0.000 -1.410) 7.832 4.536 ( 12.840 0.000 3.301) 13.258 4.667 ( 5.843 0.000 -4.710) 7.506 5.193 ( 6.180 0.000 -5.903) 8.546 5.463 ( -5.640 0.000 5.157) 7.642 5.684 ( -6.661 0.000 5.044) 8.355 5.759 ( -8.346 0.000 6.247) 10.425 5.773 ( -7.051 0.000 -0.802) 7.096 6.243 ( 6.193 0.000 -1.115) 6.293 6.414 ( 0.957 0.000 -5.785) 5.863 6.615 ( -0.047 0.000 -1.987) 1.988 7.035 ( 5.454 0.000 1.204) 5.586 7.523 ( 0.284 0.000 0.206) 0.351 7.713 ( 0.947 0.000 -1.498) 1.772 7.796 ( -3.413 0.000 -0.058) 3.414 8.047 ( 2.077 0.000 -0.434) 2.122 8.093 ( 4.951 0.000 1.336) 5.128 8.182 ( -1.254 0.000 6.361) 6.483 8.196 ( 3.424 0.000 -1.529) 3.750 8.419 ( 2.076 0.000 9.360) 9.588 8.493 ( -1.726 0.000 1.604) 2.356 8.536 ( -2.625 0.000 2.463) 3.600 8.679 ( -0.163 0.000 -2.306) 2.312 8.830 ( 3.417 0.000 0.834) 3.517 9.236 ( -3.044 0.000 0.363) 3.066 9.555 ( -0.915 0.000 -1.218) 1.523 9.603 ( -0.366 0.000 -2.128) 2.159 9.781 ( 3.770 0.000 -1.380) 4.015 10.744 ( -1.295 0.000 1.614) 2.070 10.949 ( 3.324 0.000 3.312) 4.693 11.124 ( -0.410 0.000 11.664) 11.671 11.219 ( 0.212 0.000 4.288) 4.294 11.354 ( 1.829 0.000 -2.612) 3.188 11.410 ( -5.036 0.000 -6.216) 7.999 11.487 ( -0.256 0.000 -0.549) 0.606 11.634 ( -0.099 0.000 -2.013) 2.016 12.177 ( -4.929 0.000 0.191) 4.932 12.584 ( 4.963 0.000 1.648) 5.229 12.941 ( -4.407 0.000 -1.549) 4.671 13.095 ( 4.346 0.000 2.555) 5.041 13.500 ( 0.338 0.000 4.063) 4.077 14.085 ( -1.034 0.000 -1.526) 1.844 14.167 ( -0.448 0.000 -26.975) 26.979 14.286 ( -0.936 0.000 -6.790) 6.854 21.436 ( -1.825 0.000 -0.000) 1.825 21.548 ( 1.307 0.000 -0.088) 1.310 21.843 ( 2.567 0.000 7.628) 8.049 21.878 ( 1.235 0.000 0.728) 1.434 23.234 ( -0.461 0.000 0.709) 0.845 23.360 ( -0.719 0.000 -0.674) 0.986 23.684 ( -1.046 0.000 2.510) 2.719 23.704 ( 1.125 0.000 -0.531) 1.244 23.781 ( -3.557 0.000 0.442) 3.584 23.847 ( 4.148 0.000 3.380) 5.351 24.017 ( -1.211 0.000 -18.723) 18.762 24.033 ( 1.202 0.000 0.983) 1.553 24.679 ( -0.436 0.000 -0.034) 0.437 24.704 ( -0.295 0.000 -3.688) 3.700 24.865 ( 0.494 0.000 11.407) 11.418 24.930 ( -2.391 0.000 2.167) 3.227 25.860 ( 3.098 0.000 0.706) 3.177 26.014 ( 0.303 0.000 -2.336) 2.355 26.166 ( -2.921 0.000 4.158) 5.081 26.797 ( -0.726 0.000 -12.686) 12.707 27.598 ( 1.835 0.000 -0.579) 1.924 27.656 ( 1.631 0.000 -3.117) 3.518 27.728 ( -0.203 0.000 0.244) 0.318 27.757 ( -0.015 0.000 0.192) 0.193 29.400 ( 1.927 0.000 13.762) 13.896 29.527 ( 0.665 0.000 -0.792) 1.034 30.146 ( 1.546 0.000 1.959) 2.496 30.509 ( 1.519 0.000 -2.753) 3.144 47.646 ( 0.937 0.000 -0.975) 1.353 47.710 ( 3.732 0.000 0.133) 3.735 47.970 ( -1.900 0.000 1.349) 2.330 48.033 ( -3.401 0.000 -1.229) 3.616 88.747 ( 0.634 0.000 -0.856) 1.066 88.817 ( 0.352 0.000 -2.372) 2.398 89.376 ( 1.356 0.000 6.868) 7.001 90.222 ( -1.459 0.000 -31.641) 31.674 90.358 ( -4.439 0.000 -1.020) 4.555 90.415 ( -5.970 0.000 -18.995) 19.911 90.728 ( 2.843 0.000 0.084) 2.844 90.841 ( 3.896 0.000 -2.778) 4.785 ======================= Grid point 70 (28/116) ======================= q-point: (-0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.271 ( -6.160 0.000 16.723) 17.822 0.300 ( -18.051 0.000 0.989) 18.078 0.574 ( -25.474 0.000 13.784) 28.964 1.635 ( 0.024 0.000 -1.812) 1.812 1.766 ( 3.416 0.000 -2.347) 4.145 1.872 ( -0.718 0.000 -1.509) 1.671 2.022 ( -2.460 0.000 -8.354) 8.709 2.084 ( 6.091 0.000 1.499) 6.273 2.178 ( -1.631 0.000 -0.003) 1.631 2.315 ( 2.180 0.000 4.041) 4.591 2.457 ( 7.763 0.000 2.720) 8.226 2.577 ( -6.406 0.000 -7.135) 9.589 2.897 ( 1.783 0.000 -1.024) 2.056 2.967 ( 11.248 0.000 2.285) 11.478 3.049 ( 5.521 0.000 10.238) 11.631 3.198 ( -3.577 0.000 -5.147) 6.268 3.284 ( -0.765 0.000 1.786) 1.942 3.435 ( -2.861 0.000 -1.170) 3.091 3.539 ( 12.655 0.000 20.443) 24.043 3.627 ( 0.934 0.000 1.660) 1.905 3.781 ( -2.638 0.000 2.317) 3.511 3.866 ( -0.110 0.000 0.186) 0.216 3.928 ( 0.506 0.000 2.477) 2.528 4.185 ( 3.602 0.000 -3.223) 4.833 4.286 ( -7.449 0.000 -0.760) 7.488 4.726 ( 7.191 0.000 -6.349) 9.592 4.786 ( 12.011 0.000 4.078) 12.684 5.095 ( -9.055 0.000 -24.611) 26.224 5.325 ( -13.609 0.000 -5.293) 14.602 5.540 ( -15.619 0.000 -6.227) 16.815 5.581 ( -9.534 0.000 4.420) 10.509 5.726 ( -4.138 0.000 4.827) 6.358 6.321 ( 4.702 0.000 -1.513) 4.940 6.368 ( 1.055 0.000 -2.847) 3.036 6.587 ( -0.435 0.000 -2.036) 2.082 7.088 ( 1.491 0.000 -1.435) 2.069 7.545 ( 1.054 0.000 1.189) 1.589 7.727 ( 1.331 0.000 1.529) 2.028 7.734 ( -2.873 0.000 -0.553) 2.926 8.047 ( 0.367 0.000 -3.974) 3.991 8.153 ( 2.119 0.000 -1.737) 2.740 8.208 ( -2.107 0.000 4.615) 5.073 8.251 ( 4.329 0.000 -3.288) 5.436 8.498 ( 1.022 0.000 1.943) 2.195 8.518 ( 0.001 0.000 0.619) 0.619 8.524 ( -2.027 0.000 0.894) 2.216 8.666 ( 0.750 0.000 0.060) 0.752 8.933 ( 5.095 0.000 4.836) 7.024 9.195 ( -1.800 0.000 1.774) 2.527 9.552 ( 1.251 0.000 2.524) 2.817 9.582 ( 0.390 0.000 -1.963) 2.002 9.821 ( 2.568 0.000 -1.119) 2.801 10.733 ( -1.245 0.000 0.518) 1.348 11.012 ( 1.224 0.000 -2.709) 2.973 11.225 ( 2.189 0.000 1.069) 2.435 11.230 ( -8.516 0.000 -5.414) 10.091 11.349 ( 1.565 0.000 -3.668) 3.988 11.469 ( 14.830 0.000 23.508) 27.795 11.491 ( 0.212 0.000 1.308) 1.325 11.624 ( 0.679 0.000 -1.025) 1.230 12.127 ( -2.811 0.000 1.125) 3.028 12.687 ( 4.996 0.000 1.308) 5.165 12.836 ( -4.865 0.000 -3.041) 5.737 13.161 ( 2.611 0.000 2.481) 3.601 13.534 ( -1.413 0.000 4.711) 4.918 13.651 ( -17.029 0.000 -25.602) 30.748 14.084 ( 0.438 0.000 1.983) 2.031 14.267 ( 1.142 0.000 -0.285) 1.177 21.412 ( -1.090 0.000 -0.310) 1.133 21.567 ( 0.837 0.000 0.378) 0.919 21.835 ( -9.152 0.000 -13.975) 16.705 21.888 ( 0.340 0.000 -0.843) 0.909 23.233 ( -0.526 0.000 0.799) 0.957 23.344 ( -0.299 0.000 -0.778) 0.834 23.687 ( -4.700 0.000 -8.445) 9.665 23.717 ( 0.733 0.000 0.739) 1.041 23.718 ( -4.432 0.000 -5.157) 6.800 23.912 ( 0.895 0.000 1.794) 2.005 23.922 ( 11.905 0.000 19.530) 22.873 24.056 ( 0.829 0.000 -1.379) 1.609 24.674 ( -0.221 0.000 -0.073) 0.233 24.689 ( 0.874 0.000 0.097) 0.880 24.923 ( -1.152 0.000 1.800) 2.137 25.194 ( 22.245 0.000 32.443) 39.337 25.914 ( 2.672 0.000 0.291) 2.688 25.998 ( 0.932 0.000 -2.619) 2.780 26.140 ( -4.566 0.000 3.726) 5.893 26.513 ( -16.099 0.000 -26.923) 31.369 27.598 ( -4.057 0.000 -7.254) 8.311 27.623 ( 1.477 0.000 -0.127) 1.483 27.709 ( -0.904 0.000 0.210) 0.928 27.756 ( -0.024 0.000 -0.235) 0.236 29.541 ( 1.128 0.000 0.633) 1.294 29.787 ( 22.706 0.000 27.219) 35.446 30.203 ( 1.421 0.000 6.003) 6.169 30.512 ( 1.992 0.000 -2.538) 3.227 47.659 ( 1.414 0.000 -0.182) 1.425 47.780 ( 4.262 0.000 0.763) 4.329 47.947 ( -2.088 0.000 0.737) 2.214 47.959 ( -3.710 0.000 -0.933) 3.825 88.756 ( 0.852 0.000 0.742) 1.130 88.806 ( 1.036 0.000 -2.175) 2.409 89.445 ( -1.882 0.000 7.603) 7.833 89.464 ( -21.850 0.000 -31.456) 38.300 90.298 ( -1.907 0.000 -0.559) 1.987 90.325 ( -2.157 0.000 0.866) 2.324 90.764 ( 1.411 0.000 0.298) 1.443 90.889 ( 3.880 0.000 0.471) 3.909 ======================= Grid point 71 (29/116) ======================= q-point: ( 0.00 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 0.621 14.322 14.173) 20.159 0.635 ( 13.129 12.004 20.209) 26.923 1.139 ( 8.862 27.241 27.027) 39.384 1.662 ( 4.231 -1.207 2.297) 4.963 1.771 ( 2.133 -4.077 -2.357) 5.170 1.851 ( -2.089 5.251 -6.461) 8.584 1.946 ( 3.009 3.089 4.427) 6.180 2.063 ( 0.833 -9.084 1.354) 9.222 2.214 ( -6.956 1.630 0.997) 7.214 2.360 ( 0.896 3.137 5.212) 6.149 2.483 ( -1.249 3.838 -2.686) 4.848 2.643 ( 6.896 -0.092 4.971) 8.502 2.804 ( -5.124 -1.218 -1.158) 5.392 2.978 ( -3.932 -7.699 3.569) 9.352 2.990 ( -4.400 -0.543 -4.724) 6.478 3.208 ( 3.676 1.238 -0.727) 3.947 3.292 ( 2.309 -1.340 -0.468) 2.710 3.465 ( -5.407 0.120 3.407) 6.392 3.508 ( 0.560 0.525 1.834) 1.988 3.659 ( -0.092 -0.638 -0.197) 0.674 3.838 ( 0.335 -0.571 0.953) 1.160 3.872 ( -1.793 -0.140 -1.138) 2.128 3.957 ( -2.481 7.096 -0.088) 7.518 4.229 ( -0.599 1.354 -1.085) 1.836 4.407 ( -3.880 5.148 -9.673) 11.624 4.606 ( 0.363 -13.319 -3.662) 13.818 4.801 ( 8.275 -0.591 -7.227) 11.003 4.853 ( 1.492 -4.420 1.153) 4.806 5.301 ( 3.280 6.609 3.715) 8.261 5.447 ( 0.717 4.342 4.032) 5.968 5.676 ( -1.258 11.881 -1.095) 11.998 5.824 ( -4.332 11.107 1.771) 12.052 6.314 ( 0.869 -3.451 -2.152) 4.158 6.393 ( 3.251 -3.842 -0.521) 5.060 6.529 ( 3.772 -6.091 -0.500) 7.182 7.030 ( -1.785 -1.936 -4.930) 5.589 7.549 ( -0.264 -1.244 1.140) 1.708 7.711 ( 1.691 -0.938 -0.060) 1.935 7.758 ( -0.930 -0.186 1.198) 1.528 7.998 ( -0.247 -1.070 -6.224) 6.320 8.092 ( -1.629 -2.720 -5.316) 6.190 8.164 ( -3.342 -3.796 0.627) 5.097 8.247 ( 1.790 -0.438 -3.460) 3.920 8.333 ( -4.169 -2.117 -2.068) 5.113 8.493 ( -2.098 0.951 -2.037) 3.075 8.556 ( -1.098 3.273 0.792) 3.542 8.650 ( 1.214 -4.167 1.619) 4.632 8.914 ( -2.030 0.131 -1.139) 2.331 9.248 ( -0.914 3.628 3.268) 4.968 9.472 ( 0.203 -7.138 0.852) 7.192 9.628 ( 1.756 -0.825 1.908) 2.722 9.797 ( 0.783 -4.724 -0.647) 4.832 10.743 ( 0.241 1.746 -3.311) 3.751 10.886 ( -5.390 2.571 -6.884) 9.113 11.128 ( -4.802 3.079 2.895) 6.397 11.250 ( -0.944 1.360 -0.040) 1.656 11.345 ( 1.553 0.509 -3.147) 3.546 11.451 ( 0.480 -4.032 6.968) 8.065 11.582 ( -4.028 1.910 -1.027) 4.575 11.645 ( 1.091 1.071 -0.355) 1.569 12.149 ( 0.105 3.030 2.119) 3.699 12.636 ( -3.708 -2.500 -5.196) 6.856 12.905 ( 1.942 4.932 -1.136) 5.421 13.153 ( -2.226 -1.240 -1.428) 2.921 13.564 ( -2.352 1.423 3.433) 4.398 13.952 ( 22.410 -12.543 6.499) 26.491 14.195 ( 6.262 0.730 7.052) 9.459 14.310 ( 3.564 0.227 2.882) 4.589 21.413 ( 0.019 1.080 -2.253) 2.498 21.473 ( -5.055 -0.436 -1.689) 5.347 21.593 ( 0.118 0.999 0.975) 1.401 21.860 ( -0.378 -1.835 -1.699) 2.529 23.257 ( -0.205 2.675 0.689) 2.770 23.411 ( -0.614 5.108 -3.429) 6.183 23.564 ( 0.386 -0.924 0.580) 1.157 23.724 ( 1.645 -1.684 2.530) 3.455 23.745 ( 0.647 0.046 2.755) 2.830 23.849 ( -1.380 -3.546 1.068) 3.952 24.065 ( -0.554 4.055 -3.646) 5.481 24.387 ( 5.696 4.807 -10.007) 12.478 24.689 ( 1.368 0.914 0.193) 1.657 24.725 ( 2.233 -0.463 1.972) 3.015 24.939 ( -1.701 1.500 2.206) 3.164 25.375 ( -16.053 -11.019 6.478) 20.520 25.940 ( 0.028 0.220 -0.669) 0.705 25.965 ( -0.536 -0.186 -3.482) 3.528 26.223 ( -3.839 5.276 0.614) 6.553 26.430 ( 21.984 3.706 -0.820) 22.309 27.529 ( 0.517 1.485 0.692) 1.718 27.642 ( 0.363 0.270 0.189) 0.490 27.715 ( -0.110 0.453 0.737) 0.872 27.752 ( 0.056 -0.033 -0.448) 0.453 29.564 ( 0.541 -0.902 2.366) 2.590 29.713 ( -10.447 -18.238 14.559) 25.568 30.195 ( -1.199 0.191 1.207) 1.712 30.494 ( 1.749 -2.824 -1.920) 3.837 47.796 ( 1.078 5.724 -4.515) 7.370 47.826 ( -2.358 0.971 -0.354) 2.574 47.914 ( -0.869 -0.769 -0.255) 1.188 47.939 ( 2.161 -0.213 -0.867) 2.338 88.745 ( -2.097 1.000 -1.301) 2.662 88.877 ( 1.692 4.318 -2.960) 5.502 89.382 ( -4.732 -7.857 6.044) 10.984 89.650 ( 25.578 -22.818 13.845) 36.967 90.301 ( 1.008 1.193 0.976) 1.842 90.328 ( -0.859 1.974 0.593) 2.233 91.036 ( 1.083 13.948 -1.296) 14.050 91.784 ( 20.987 32.112 -34.094) 51.323 ======================= Grid point 72 (30/116) ======================= q-point: ( 0.12 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 4.014 8.515 15.764) 18.361 0.998 ( 7.149 14.958 18.438) 24.795 1.604 ( 7.801 5.472 13.894) 16.847 1.716 ( 1.337 3.147 -5.392) 6.385 1.751 ( 0.267 0.465 2.043) 2.112 1.875 ( 8.375 -4.459 4.900) 10.678 1.955 ( -3.786 5.335 -0.333) 6.550 2.039 ( -4.173 4.025 -0.259) 5.803 2.194 ( 4.915 -3.261 7.115) 9.242 2.457 ( 0.172 3.422 0.995) 3.568 2.506 ( 4.108 0.584 7.471) 8.546 2.693 ( -4.878 -0.974 0.029) 4.975 2.729 ( -9.261 -4.078 -6.661) 12.115 2.803 ( 5.142 0.082 3.443) 6.189 3.052 ( -0.199 -1.589 5.857) 6.072 3.166 ( -2.948 -0.705 -7.377) 7.976 3.327 ( 0.982 0.363 -0.399) 1.121 3.413 ( -1.803 -3.535 3.128) 5.052 3.500 ( -2.588 -4.189 1.547) 5.161 3.702 ( 3.524 3.078 2.221) 5.179 3.806 ( -2.352 2.352 -3.303) 4.688 3.897 ( 0.699 5.780 0.779) 5.874 3.959 ( 3.908 5.119 3.200) 7.191 4.202 ( 1.176 0.586 -2.553) 2.871 4.442 ( 6.229 1.078 3.020) 7.006 4.464 ( -10.242 -12.440 -3.894) 16.577 4.785 ( 3.821 -2.471 -8.135) 9.321 4.906 ( 3.050 -0.237 -9.417) 9.901 5.361 ( -0.100 4.931 5.284) 7.228 5.494 ( 0.161 2.273 3.919) 4.533 5.730 ( 5.063 7.972 -0.545) 9.459 5.794 ( 0.771 10.378 -0.362) 10.413 6.272 ( -2.690 -1.311 -2.622) 3.978 6.411 ( 0.754 -7.759 -0.207) 7.798 6.625 ( 5.973 -2.290 -0.307) 6.404 6.923 ( -3.976 -1.493 -6.655) 7.895 7.564 ( 0.430 -0.987 2.237) 2.482 7.728 ( -0.118 -2.792 -0.361) 2.818 7.766 ( 1.011 -0.126 1.052) 1.464 7.915 ( -1.743 -0.517 -7.112) 7.341 7.985 ( -2.891 -1.808 -7.174) 7.943 8.111 ( -3.356 -3.839 -0.076) 5.099 8.242 ( 1.163 -0.243 -2.835) 3.074 8.265 ( -1.495 -0.886 -2.329) 2.906 8.454 ( -0.107 0.369 -1.144) 1.206 8.533 ( -2.251 3.013 0.793) 3.844 8.689 ( 1.036 -5.705 2.023) 6.141 8.862 ( -2.161 0.537 -2.012) 3.001 9.273 ( 0.157 5.540 3.515) 6.563 9.480 ( 0.273 -7.248 0.342) 7.261 9.666 ( 0.691 -0.032 1.680) 1.817 9.793 ( -0.821 -4.200 -0.309) 4.291 10.717 ( 1.139 0.958 -3.958) 4.229 10.775 ( -2.609 3.871 -2.243) 5.180 11.075 ( -3.617 2.791 0.568) 4.604 11.236 ( -2.001 1.536 2.284) 3.403 11.335 ( 1.084 0.228 -3.022) 3.219 11.529 ( 1.564 -2.986 5.292) 6.275 11.558 ( -0.362 0.415 1.962) 2.038 11.655 ( 0.978 0.470 -1.053) 1.512 12.205 ( 3.097 2.433 3.798) 5.471 12.529 ( -2.446 -1.114 -4.993) 5.671 12.950 ( 2.188 2.053 1.565) 3.384 13.075 ( -4.619 -0.517 -2.934) 5.496 13.556 ( -3.250 1.771 3.519) 5.107 14.138 ( 3.063 -6.133 2.369) 7.253 14.329 ( 2.611 -1.163 2.692) 3.927 14.458 ( 7.312 -5.589 0.697) 9.230 21.401 ( 1.212 -0.192 -1.431) 1.885 21.443 ( 2.552 -0.119 -3.700) 4.496 21.606 ( -0.319 -0.058 1.774) 1.803 21.826 ( -1.316 -1.681 -2.792) 3.515 23.257 ( -0.686 3.035 0.511) 3.153 23.377 ( 0.242 3.240 -1.290) 3.495 23.622 ( 3.842 -0.545 2.184) 4.453 23.765 ( -2.783 -2.962 -0.734) 4.130 23.778 ( 0.150 -0.939 2.760) 2.919 23.817 ( 0.559 -0.360 1.077) 1.266 24.029 ( -0.164 3.930 -1.600) 4.246 24.317 ( -2.111 1.253 -8.264) 8.621 24.715 ( 1.599 0.383 -0.225) 1.660 24.780 ( 2.695 -0.159 -0.099) 2.702 24.945 ( -2.143 -0.567 6.201) 6.586 25.133 ( -16.291 -2.103 7.493) 18.054 25.903 ( -3.116 0.157 -0.870) 3.239 25.939 ( 0.003 -2.424 -2.017) 3.154 26.207 ( -0.095 8.200 1.236) 8.293 26.712 ( 13.936 -2.208 -4.273) 14.743 27.567 ( 2.856 0.972 -0.381) 3.041 27.641 ( -0.689 0.532 0.152) 0.884 27.716 ( -0.663 0.288 0.640) 0.966 27.749 ( 0.156 0.283 -0.477) 0.577 29.591 ( -1.878 -1.774 3.589) 4.422 29.599 ( -12.979 -6.326 8.348) 16.678 30.186 ( -1.230 0.628 0.784) 1.588 30.504 ( 1.438 -2.734 -1.409) 3.395 47.749 ( -2.824 2.898 0.099) 4.048 47.768 ( -3.706 0.741 -0.686) 3.841 47.911 ( 1.579 0.446 -1.290) 2.087 47.993 ( 4.038 -0.271 -0.311) 4.059 88.731 ( 0.307 -0.670 0.473) 0.876 88.879 ( 1.409 4.667 -2.046) 5.287 89.335 ( -6.460 -7.395 3.902) 10.566 90.065 ( 13.390 -28.503 4.091) 31.756 90.320 ( 0.065 2.137 0.239) 2.151 90.367 ( 4.530 -1.067 1.558) 4.907 91.024 ( -0.962 13.906 -1.059) 13.980 91.644 ( -1.563 23.086 -19.707) 30.393 ======================= Grid point 73 (31/116) ======================= q-point: ( 0.25 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 2.935 4.994 12.726) 13.982 1.225 ( -0.177 15.518 15.093) 21.648 1.578 ( 1.661 -2.713 -8.855) 9.409 1.662 ( -8.680 -0.458 0.341) 8.698 1.744 ( -7.548 2.356 -2.847) 8.404 1.787 ( 2.810 3.517 -4.430) 6.316 2.024 ( -2.212 -2.751 0.382) 3.551 2.171 ( -4.356 3.939 -3.598) 6.887 2.279 ( 7.197 3.313 11.275) 13.780 2.414 ( -3.658 -4.857 2.386) 6.532 2.627 ( -3.068 -2.576 0.831) 4.091 2.714 ( 11.910 1.585 9.632) 15.399 2.727 ( 5.005 -1.704 2.566) 5.877 2.896 ( 1.362 0.472 3.469) 3.756 3.016 ( 0.361 -0.891 -6.900) 6.967 3.136 ( 0.937 -1.242 4.465) 4.728 3.335 ( 0.285 -2.934 1.624) 3.366 3.442 ( 1.192 -3.877 -0.491) 4.086 3.481 ( -1.409 -3.566 3.185) 4.985 3.685 ( -3.125 -4.155 -4.293) 6.742 3.819 ( 2.440 11.029 2.988) 11.684 3.903 ( -0.215 8.564 0.583) 8.587 4.065 ( 4.300 3.803 -0.245) 5.746 4.213 ( 2.375 -4.327 -1.160) 5.071 4.287 ( -5.155 -5.646 -1.912) 7.881 4.571 ( 4.144 2.449 2.591) 5.466 4.708 ( -0.818 -4.236 -13.307) 13.989 4.843 ( -1.323 5.684 -1.652) 6.065 5.415 ( 0.064 2.525 5.595) 6.139 5.568 ( 5.558 -1.818 1.576) 6.056 5.716 ( -2.400 7.275 -1.142) 7.745 5.878 ( 6.395 7.707 -0.574) 10.031 6.198 ( -3.413 0.187 -1.560) 3.757 6.426 ( 1.116 -6.154 0.155) 6.257 6.687 ( 1.904 0.771 -0.089) 2.056 6.790 ( -4.066 -1.559 -6.013) 7.425 7.609 ( 1.515 -1.497 3.670) 4.243 7.718 ( -0.624 -2.171 -0.373) 2.289 7.769 ( -2.040 0.258 -1.438) 2.510 7.827 ( 0.051 -4.130 -5.068) 6.538 7.889 ( -0.782 -0.289 -5.449) 5.512 8.061 ( -2.489 -2.911 0.284) 3.840 8.212 ( -0.483 0.831 -3.545) 3.673 8.245 ( -0.223 -1.713 -0.012) 1.727 8.476 ( 2.315 -0.926 1.323) 2.823 8.515 ( -0.400 2.420 0.556) 2.515 8.715 ( -0.188 -5.911 1.453) 6.090 8.811 ( -1.482 1.015 -2.074) 2.744 9.309 ( 0.185 5.650 2.321) 6.111 9.495 ( 1.358 -7.346 0.191) 7.472 9.684 ( 0.210 -0.035 0.602) 0.639 9.762 ( -2.329 -2.823 -0.636) 3.714 10.702 ( 1.122 0.971 -2.966) 3.317 10.747 ( 0.293 2.080 -0.395) 2.137 11.029 ( -2.958 1.235 1.078) 3.382 11.226 ( -1.806 1.422 1.919) 2.995 11.323 ( 0.458 -0.422 -1.860) 1.961 11.580 ( 0.328 -1.117 1.891) 2.221 11.594 ( 1.014 -1.781 2.983) 3.620 11.658 ( 1.082 -0.520 -1.395) 1.840 12.320 ( 5.689 1.851 4.781) 7.658 12.469 ( -0.029 -0.005 -3.376) 3.376 12.950 ( -6.652 0.424 -3.661) 7.605 12.992 ( 0.860 0.200 1.716) 1.929 13.523 ( -3.960 2.707 2.014) 5.202 14.186 ( 0.895 -5.123 1.341) 5.371 14.375 ( 1.145 0.142 0.590) 1.296 14.515 ( 1.437 -2.591 -1.378) 3.268 21.420 ( 2.612 -1.561 -1.643) 3.458 21.468 ( 3.955 0.212 -1.203) 4.139 21.616 ( -0.745 -0.903 2.233) 2.521 21.761 ( -2.902 -1.063 -3.538) 4.697 23.247 ( -0.837 2.068 0.147) 2.236 23.394 ( 2.254 3.632 0.021) 4.274 23.661 ( -4.282 -1.711 -3.624) 5.865 23.713 ( 3.410 -0.914 3.064) 4.674 23.780 ( -1.915 0.550 1.289) 2.373 23.875 ( 2.215 -1.335 2.175) 3.380 24.025 ( 0.184 3.009 0.069) 3.015 24.193 ( -3.990 0.312 -5.402) 6.723 24.732 ( 1.190 0.017 -0.851) 1.463 24.801 ( 2.170 0.184 -3.083) 3.774 24.966 ( -6.298 -2.184 7.615) 10.120 25.027 ( -4.642 -0.370 7.073) 8.469 25.841 ( -3.203 -0.143 -0.756) 3.294 25.920 ( -0.260 -4.497 -1.263) 4.678 26.220 ( 0.709 9.685 -0.127) 9.712 26.839 ( 7.688 -1.759 -4.041) 8.862 27.600 ( 1.620 0.663 -0.491) 1.818 27.626 ( -0.779 0.789 -0.380) 1.173 27.706 ( -1.133 0.368 0.453) 1.275 27.748 ( -0.013 0.537 -0.129) 0.552 29.468 ( -9.883 -1.599 4.987) 11.185 29.599 ( -2.170 -1.632 2.969) 4.023 30.168 ( -1.831 1.363 0.627) 2.368 30.513 ( 1.038 -2.487 -1.030) 2.885 47.697 ( -3.106 0.266 -0.530) 3.162 47.719 ( -2.569 0.859 0.862) 2.843 47.934 ( 2.329 1.408 -0.840) 2.849 48.051 ( 3.302 -0.386 -0.221) 3.332 88.746 ( 0.667 -0.248 0.336) 0.787 88.883 ( 1.379 4.579 -1.673) 5.066 89.259 ( -6.072 -6.583 1.946) 9.165 90.228 ( 5.747 -21.958 0.512) 22.703 90.328 ( 0.993 3.887 -0.030) 4.012 90.460 ( 4.767 -3.603 0.882) 6.040 90.988 ( -1.972 13.463 -1.171) 13.657 91.430 ( -5.424 16.679 -11.120) 20.767 ======================= Grid point 74 (32/116) ======================= q-point: ( 0.38 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -1.932 9.606 1.228) 9.875 1.273 ( -7.575 5.712 8.602) 12.806 1.490 ( -5.993 1.904 -5.393) 8.284 1.586 ( 3.922 -2.374 -1.796) 4.924 1.647 ( -3.167 0.954 0.725) 3.386 1.785 ( 1.181 2.687 -2.531) 3.876 1.917 ( -3.723 3.131 -2.263) 5.365 2.127 ( 2.247 -2.167 -2.809) 4.200 2.355 ( -5.107 -3.982 0.774) 6.522 2.444 ( 1.660 3.012 7.017) 7.815 2.597 ( -1.675 -2.172 -0.519) 2.792 2.761 ( 0.230 1.080 -4.984) 5.105 2.869 ( 2.813 -1.504 -0.294) 3.204 2.953 ( 1.574 0.605 2.054) 2.658 3.036 ( 3.026 -0.632 0.036) 3.092 3.202 ( -0.304 -4.517 0.761) 4.591 3.366 ( 0.368 -0.399 0.672) 0.864 3.417 ( -1.080 -3.161 -0.261) 3.350 3.541 ( 2.361 -5.417 4.027) 7.151 3.614 ( -1.071 -3.857 -1.032) 4.133 3.839 ( -5.227 8.398 -3.721) 10.569 3.868 ( 1.413 10.005 1.337) 10.192 4.100 ( 3.523 -4.211 -2.620) 6.083 4.236 ( 0.597 4.183 -2.232) 4.779 4.326 ( 7.406 0.351 4.181) 8.512 4.496 ( -5.297 -2.931 -5.025) 7.867 4.685 ( 3.234 3.985 -1.413) 5.323 4.814 ( -2.432 4.228 0.990) 4.977 5.456 ( -1.310 0.210 3.290) 3.548 5.641 ( 1.619 -0.727 -0.341) 1.808 5.732 ( 4.805 1.538 3.024) 5.882 5.951 ( 3.208 4.088 -0.519) 5.222 6.143 ( -2.265 4.654 0.144) 5.178 6.447 ( 0.621 -4.614 1.248) 4.820 6.691 ( -0.767 1.713 -0.544) 1.954 6.701 ( -0.463 -0.305 -3.425) 3.470 7.660 ( -1.360 -2.960 -1.188) 3.468 7.686 ( 0.099 1.059 3.131) 3.307 7.733 ( 0.144 -2.555 -1.980) 3.236 7.808 ( 0.676 -2.345 -0.530) 2.498 7.861 ( 1.735 -2.887 -1.982) 3.908 8.049 ( -0.608 -1.391 2.235) 2.702 8.177 ( -0.134 1.089 -1.984) 2.267 8.243 ( -0.271 -1.329 0.431) 1.423 8.508 ( -0.434 0.726 1.920) 2.099 8.558 ( 3.747 -1.613 1.285) 4.277 8.705 ( -2.309 -4.510 0.653) 5.109 8.781 ( 0.114 1.663 -1.805) 2.457 9.319 ( -0.489 2.994 0.700) 3.113 9.524 ( 1.616 -6.196 0.210) 6.407 9.684 ( -0.141 -0.712 -0.876) 1.137 9.714 ( -2.150 -1.562 -1.070) 2.865 10.702 ( 0.961 1.613 -0.140) 1.883 10.767 ( 2.240 0.894 0.092) 2.413 11.002 ( -2.961 0.171 3.350) 4.474 11.215 ( -0.858 0.910 0.469) 1.335 11.316 ( 0.225 -0.678 -0.663) 0.974 11.589 ( -0.157 -1.096 -0.686) 1.302 11.613 ( -0.463 -1.727 -0.136) 1.793 11.669 ( 0.871 -0.960 0.330) 1.337 12.450 ( 2.572 0.525 -0.262) 2.638 12.464 ( 3.306 0.982 2.107) 4.041 12.811 ( -5.133 1.589 -2.427) 5.896 13.013 ( -0.289 -0.932 1.606) 1.879 13.478 ( -2.835 3.596 0.667) 4.627 14.194 ( -0.172 -5.092 -0.940) 5.181 14.375 ( 0.121 0.520 -2.735) 2.787 14.506 ( -0.091 -0.746 -2.152) 2.279 21.449 ( 2.666 -0.883 -1.118) 3.022 21.544 ( 3.958 -1.701 1.545) 4.576 21.630 ( -0.387 -0.850 3.072) 3.211 21.675 ( -2.982 -0.114 -2.564) 3.934 23.238 ( -0.371 1.317 0.225) 1.387 23.432 ( 1.914 5.288 -0.288) 5.631 23.587 ( -1.144 -1.590 -1.103) 2.248 23.729 ( -2.439 -0.014 -0.154) 2.444 23.802 ( 1.285 -0.784 2.071) 2.560 23.909 ( 0.727 -0.371 0.175) 0.835 24.025 ( -0.289 1.057 0.261) 1.126 24.108 ( -1.579 0.635 -2.347) 2.899 24.736 ( 0.787 -0.002 -1.676) 1.851 24.798 ( 1.881 -0.371 -4.128) 4.552 24.915 ( -5.203 -0.228 3.337) 6.186 25.043 ( -4.319 -1.563 7.207) 8.546 25.794 ( -1.622 -0.472 -0.604) 1.794 25.914 ( 0.382 -5.726 0.215) 5.742 26.228 ( 0.797 10.059 -0.646) 10.112 26.897 ( 4.554 -1.683 -4.271) 6.466 27.597 ( -0.645 0.467 -0.773) 1.110 27.627 ( 1.094 0.831 -0.513) 1.466 27.693 ( -0.914 0.588 0.608) 1.245 27.748 ( -0.091 0.527 0.366) 0.648 29.378 ( -5.986 0.382 2.911) 6.667 29.581 ( -2.663 -1.718 1.533) 3.521 30.144 ( -1.565 2.175 0.327) 2.700 30.516 ( 0.559 -2.254 -1.070) 2.557 47.654 ( -1.509 0.306 -0.476) 1.612 47.690 ( -1.792 0.119 0.334) 1.827 47.964 ( 1.705 1.579 0.119) 2.326 48.091 ( 1.850 -0.432 -0.300) 1.924 88.754 ( 0.280 0.313 -0.432) 0.602 88.891 ( 1.256 4.365 -1.423) 4.759 89.191 ( -3.548 -5.592 1.004) 6.698 90.278 ( 1.571 -17.768 -2.166) 17.968 90.361 ( 1.988 2.590 1.267) 3.502 90.529 ( 2.838 -2.299 0.516) 3.688 90.945 ( -1.330 13.281 -1.704) 13.456 91.262 ( -2.773 13.106 -9.534) 16.442 ======================= Grid point 75 (33/116) ======================= q-point: (-0.50 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -2.671 15.033 -5.265) 16.151 1.151 ( -13.018 2.781 2.102) 13.476 1.418 ( 4.488 3.000 -4.879) 7.276 1.616 ( -2.399 0.440 4.139) 4.804 1.691 ( 9.614 -4.654 -3.892) 11.368 1.789 ( -0.402 -3.412 2.755) 4.404 1.913 ( 2.416 5.129 0.271) 5.676 2.120 ( 0.322 0.791 -1.954) 2.133 2.308 ( -0.625 -1.946 -0.301) 2.066 2.423 ( -7.280 5.667 -5.159) 10.570 2.592 ( 0.194 -3.260 3.677) 4.918 2.699 ( 0.516 2.322 -6.910) 7.308 2.861 ( -3.280 -3.827 -4.599) 6.823 2.921 ( -5.965 1.128 -3.461) 6.988 3.067 ( -5.159 -1.201 -6.604) 8.466 3.101 ( 2.651 -1.889 1.723) 3.684 3.361 ( 0.163 -4.000 -0.629) 4.052 3.401 ( -0.888 -1.844 0.076) 2.048 3.554 ( -3.476 -1.871 -0.532) 3.983 3.648 ( 2.850 -4.288 3.142) 6.032 3.743 ( -1.475 7.229 -3.372) 8.112 3.907 ( 1.626 9.617 0.637) 9.774 4.095 ( 1.070 -9.065 -3.523) 9.784 4.245 ( 1.347 10.634 0.322) 10.723 4.336 ( -6.530 2.589 -2.921) 7.608 4.563 ( 7.278 -1.975 4.812) 8.946 4.720 ( 3.473 3.486 -0.456) 4.942 4.802 ( 1.453 2.283 2.319) 3.564 5.425 ( -3.940 -2.789 0.606) 4.865 5.693 ( 1.816 0.183 3.702) 4.127 5.807 ( -1.299 -1.160 3.607) 4.006 6.002 ( 4.043 -0.284 0.746) 4.121 6.118 ( -1.895 8.349 0.914) 8.610 6.460 ( -1.077 -2.539 0.644) 2.832 6.672 ( -0.413 2.337 -0.488) 2.423 6.722 ( 5.539 -0.939 -0.148) 5.620 7.598 ( -2.580 -0.250 -2.038) 3.297 7.709 ( 0.035 -2.547 -1.763) 3.097 7.759 ( 2.152 -0.614 4.191) 4.751 7.844 ( 2.856 -2.952 1.765) 4.470 7.901 ( 3.221 -3.837 1.155) 5.141 8.073 ( -0.367 -0.964 3.584) 3.729 8.177 ( 1.596 0.933 -0.159) 1.855 8.248 ( -0.035 -0.799 1.348) 1.568 8.518 ( -0.870 0.107 2.250) 2.414 8.614 ( 0.308 -1.876 1.763) 2.593 8.665 ( -1.710 -2.575 -0.504) 3.132 8.775 ( 1.181 1.864 -1.621) 2.738 9.313 ( -0.721 1.538 0.100) 1.702 9.537 ( -0.223 -5.854 -0.260) 5.864 9.663 ( -0.465 -0.915 -2.151) 2.383 9.686 ( 0.468 -1.803 -1.420) 2.343 10.730 ( 1.129 2.150 1.982) 3.134 10.815 ( 2.884 0.338 0.946) 3.054 11.003 ( -2.403 -0.410 6.051) 6.524 11.208 ( 0.028 0.783 -0.542) 0.952 11.320 ( 0.680 -0.542 -0.013) 0.870 11.562 ( -0.879 -0.446 -2.766) 2.936 11.582 ( -2.024 -2.191 -1.790) 3.479 11.680 ( 0.073 -0.465 -0.260) 0.538 12.451 ( -4.338 1.108 -1.719) 4.796 12.478 ( 0.721 1.676 -0.390) 1.865 12.817 ( 5.150 0.893 3.394) 6.232 13.014 ( -1.199 -1.322 1.242) 2.174 13.457 ( -0.310 3.778 0.703) 3.856 14.164 ( -0.999 -4.617 -3.009) 5.601 14.330 ( -0.489 0.228 -5.531) 5.557 14.469 ( -0.449 -0.959 -4.825) 4.940 21.483 ( 1.539 -0.750 0.292) 1.737 21.550 ( -1.837 -0.004 -1.715) 2.513 21.646 ( -0.785 -1.910 4.083) 4.576 21.711 ( 4.547 -0.732 3.642) 5.871 23.239 ( -0.019 1.256 0.511) 1.356 23.434 ( -0.496 4.040 -1.508) 4.341 23.612 ( 2.991 -0.911 2.461) 3.979 23.697 ( -0.474 0.600 -0.853) 1.146 23.787 ( -2.718 -0.077 -1.271) 3.002 23.914 ( -1.174 -0.705 -0.065) 1.371 24.031 ( 0.303 1.033 0.533) 1.201 24.093 ( 2.183 0.858 -1.267) 2.666 24.724 ( 0.302 -0.086 -2.613) 2.632 24.780 ( 0.960 -0.942 -4.469) 4.667 24.869 ( -3.139 1.066 1.009) 3.465 25.016 ( -5.759 -0.942 4.854) 7.590 25.780 ( 0.465 -0.511 -0.125) 0.703 25.936 ( 0.972 -5.743 1.605) 6.042 26.235 ( 0.582 9.014 -0.249) 9.036 26.902 ( 1.850 -2.254 -5.344) 6.088 27.583 ( 0.204 0.525 -1.081) 1.219 27.639 ( 1.064 0.314 -0.735) 1.330 27.691 ( -0.411 0.496 1.245) 1.402 27.752 ( 0.043 0.449 0.617) 0.765 29.332 ( -2.820 1.136 2.252) 3.783 29.550 ( -1.855 -1.469 -0.044) 2.366 30.128 ( -0.500 2.509 0.154) 2.563 30.509 ( 0.285 -2.139 -1.655) 2.720 47.641 ( 0.389 0.315 -0.245) 0.557 47.669 ( -0.616 0.381 -0.389) 0.822 47.987 ( 0.416 1.447 0.877) 1.742 48.103 ( 0.061 -0.381 -0.458) 0.598 88.747 ( -0.127 0.080 -1.008) 1.019 88.888 ( 0.402 3.538 -1.996) 4.082 89.180 ( 0.376 -4.472 2.266) 5.027 90.251 ( -0.412 -17.145 -5.174) 17.914 90.395 ( -0.337 2.055 2.285) 3.091 90.553 ( -0.821 -1.573 0.260) 1.794 90.921 ( 0.894 13.234 -2.300) 13.462 91.163 ( 3.546 14.155 -11.256) 18.429 ======================= Grid point 76 (34/116) ======================= q-point: (-0.38 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -4.133 19.449 -7.566) 21.274 0.936 ( -14.626 6.893 2.900) 16.427 1.527 ( 11.890 3.188 -3.867) 12.903 1.577 ( -3.933 0.811 -2.886) 4.945 1.811 ( 4.890 -4.980 1.178) 7.078 1.821 ( 2.398 -11.009 0.300) 11.271 1.951 ( -3.516 3.095 -3.043) 5.586 2.064 ( -4.806 6.465 -7.290) 10.864 2.229 ( 0.510 8.083 0.962) 8.156 2.328 ( 2.408 0.228 -2.933) 3.802 2.519 ( -12.303 -1.175 -12.957) 17.906 2.630 ( 0.799 -0.120 -4.079) 4.158 2.705 ( -0.984 -3.626 3.849) 5.378 2.841 ( -2.869 0.182 -0.792) 2.982 2.970 ( -2.279 1.322 -2.868) 3.895 3.204 ( 4.569 -3.626 3.974) 7.059 3.342 ( -2.429 -4.999 -0.522) 5.582 3.396 ( 0.328 -1.035 0.012) 1.086 3.487 ( -2.677 1.555 -0.320) 3.112 3.669 ( -0.181 3.911 -3.508) 5.257 3.772 ( 3.637 0.282 4.518) 5.807 3.923 ( 0.652 9.900 -0.161) 9.923 4.087 ( -2.157 -2.952 -2.884) 4.657 4.184 ( -3.764 -2.304 -3.391) 5.565 4.284 ( 2.767 4.614 1.466) 5.576 4.598 ( -3.592 4.113 -1.162) 5.582 4.753 ( 3.935 8.175 -2.088) 9.310 4.988 ( 10.828 -6.960 5.939) 14.176 5.360 ( -5.111 -5.531 1.312) 7.644 5.689 ( -6.508 -7.283 1.848) 9.940 5.822 ( -1.363 7.916 6.017) 10.036 6.046 ( -3.662 7.067 3.556) 8.718 6.125 ( 4.664 -0.716 -1.270) 4.887 6.417 ( -2.459 -2.027 -2.453) 4.021 6.667 ( 0.566 2.548 -1.841) 3.194 6.861 ( 8.196 -3.080 3.286) 9.352 7.546 ( -1.609 0.300 -1.269) 2.071 7.699 ( 0.511 -1.621 -1.316) 2.150 7.814 ( -0.283 -0.519 2.397) 2.469 7.931 ( 4.715 -4.729 2.812) 7.246 7.974 ( 3.840 -2.917 1.659) 5.099 8.100 ( 0.152 -2.068 2.870) 3.541 8.213 ( 1.093 1.904 1.473) 2.644 8.283 ( 1.645 -1.894 4.010) 4.730 8.524 ( -1.382 0.373 2.849) 3.189 8.590 ( -3.576 1.654 2.014) 4.425 8.659 ( 0.655 -2.685 -1.533) 3.160 8.790 ( 2.558 1.208 -1.133) 3.047 9.293 ( -1.801 1.757 -0.188) 2.523 9.516 ( -1.584 -5.872 -0.452) 6.099 9.631 ( -0.386 -1.219 -2.896) 3.166 9.702 ( 2.913 -3.020 -1.454) 4.441 10.765 ( 0.500 2.468 1.809) 3.101 10.876 ( 2.651 0.127 2.435) 3.601 11.043 ( -1.276 -0.398 8.253) 8.360 11.208 ( 0.692 1.013 -0.633) 1.381 11.337 ( 1.286 -0.477 -0.162) 1.381 11.510 ( -3.635 -2.165 -3.449) 5.458 11.522 ( -0.636 0.781 -2.266) 2.480 11.667 ( -0.245 0.384 -1.653) 1.715 12.319 ( -7.189 2.976 -1.766) 7.979 12.520 ( 3.026 1.402 1.150) 3.527 12.961 ( 6.510 -0.416 4.098) 7.704 12.997 ( -1.978 -0.739 0.412) 2.151 13.480 ( 1.136 3.075 2.080) 3.882 14.110 ( -1.110 -3.847 -4.017) 5.671 14.256 ( -0.584 -1.385 -8.177) 8.314 14.389 ( -1.269 -1.755 -9.044) 9.300 21.474 ( -2.139 -0.256 0.208) 2.164 21.540 ( 1.535 1.447 -0.457) 2.158 21.692 ( -0.326 -3.605 6.649) 7.571 21.811 ( 3.265 -1.367 2.841) 4.539 23.246 ( 0.079 1.680 0.750) 1.841 23.402 ( -1.184 1.719 -1.475) 2.556 23.686 ( -0.145 -0.695 -1.179) 1.376 23.711 ( 4.031 -1.081 3.646) 5.542 23.734 ( -1.537 1.846 -0.276) 2.418 23.857 ( -3.933 -0.515 -1.744) 4.333 24.038 ( 0.565 2.417 -0.160) 2.487 24.146 ( 6.043 2.995 -3.241) 7.483 24.698 ( -0.247 0.005 -2.452) 2.465 24.744 ( 0.153 -0.783 -4.568) 4.638 24.837 ( -2.054 1.424 2.129) 3.283 24.972 ( -4.080 0.657 3.394) 5.348 25.806 ( 2.333 -0.277 0.600) 2.425 25.965 ( 0.680 -4.554 1.091) 4.732 26.238 ( -0.627 6.883 0.580) 6.936 26.854 ( -0.218 -3.390 -7.282) 8.035 27.584 ( 1.191 0.492 -0.999) 1.630 27.648 ( 1.235 -0.419 -1.463) 1.960 27.700 ( -0.445 -0.285 1.771) 1.848 27.759 ( 0.120 0.416 0.441) 0.618 29.331 ( -0.710 1.155 3.611) 3.857 29.526 ( -0.439 -1.057 -0.863) 1.434 30.133 ( 0.686 2.172 0.453) 2.322 30.496 ( 0.592 -2.185 -2.361) 3.270 47.659 ( 1.630 0.721 -0.237) 1.798 47.668 ( 1.578 0.981 -0.472) 1.917 47.993 ( -0.887 1.281 1.257) 2.002 48.084 ( -1.758 -0.235 -0.728) 1.917 88.732 ( -0.417 -0.704 -1.027) 1.313 88.872 ( 0.671 2.772 -2.661) 3.901 89.238 ( 2.043 -4.165 4.664) 6.578 90.148 ( -3.564 -20.698 -11.008) 23.712 90.392 ( -2.708 3.023 2.607) 4.824 90.496 ( -5.261 -0.623 -1.427) 5.486 90.931 ( 3.254 12.434 -2.574) 13.108 91.171 ( 12.338 21.253 -13.178) 27.885 ======================= Grid point 77 (35/116) ======================= q-point: (-0.25 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -9.861 16.980 -4.701) 20.190 0.782 ( -11.074 19.496 3.757) 22.735 1.258 ( -23.346 8.260 -16.073) 29.523 1.678 ( 5.528 0.094 -4.027) 6.840 1.712 ( -1.592 0.299 -2.076) 2.633 1.843 ( 2.188 -3.361 -2.561) 4.758 1.914 ( 2.945 -6.541 3.898) 8.164 2.101 ( 1.273 8.851 -0.946) 8.992 2.172 ( -4.684 -5.747 -7.490) 10.539 2.336 ( 2.439 6.895 0.532) 7.333 2.382 ( 5.137 1.547 -1.466) 5.562 2.663 ( -0.451 -2.903 -1.277) 3.203 2.730 ( 2.815 -3.667 5.258) 7.002 2.841 ( 1.333 1.334 5.022) 5.364 2.930 ( 0.668 1.345 -0.720) 1.666 3.249 ( -2.653 -4.772 -1.846) 5.764 3.293 ( -0.484 -3.379 -1.094) 3.585 3.435 ( 0.988 4.622 3.316) 5.773 3.485 ( 1.977 0.659 2.359) 3.147 3.635 ( -0.303 4.464 -1.121) 4.612 3.862 ( 0.556 0.183 2.874) 2.933 3.893 ( -3.241 3.606 -3.764) 6.138 3.987 ( -2.522 8.371 1.921) 8.951 4.186 ( 4.492 -1.324 -1.672) 4.973 4.389 ( 8.079 -5.399 1.180) 9.788 4.475 ( -8.427 3.048 -1.962) 9.174 4.821 ( 6.300 8.279 -2.108) 10.615 5.147 ( 5.140 -7.889 -3.402) 10.012 5.287 ( -5.833 -7.989 2.161) 10.125 5.571 ( -9.195 -6.202 1.697) 11.221 5.831 ( -4.503 9.848 3.884) 11.504 5.993 ( -6.568 11.587 4.293) 13.994 6.208 ( 6.710 -4.106 -1.783) 8.066 6.356 ( -1.034 -4.089 -3.782) 5.665 6.635 ( -1.426 -0.051 -3.906) 4.158 7.005 ( 5.554 -3.278 1.811) 6.699 7.527 ( -0.024 0.268 0.117) 0.293 7.698 ( 0.612 -1.001 -0.923) 1.493 7.798 ( -2.689 -0.162 0.404) 2.724 8.019 ( 3.332 -3.171 0.046) 4.600 8.055 ( 4.496 -3.796 1.402) 6.049 8.143 ( 1.394 -2.435 3.063) 4.154 8.230 ( -0.201 1.027 0.895) 1.377 8.363 ( 1.548 -4.268 5.189) 6.895 8.532 ( -1.265 2.786 2.764) 4.123 8.568 ( -1.698 2.947 2.591) 4.276 8.641 ( -0.347 -2.289 -2.039) 3.085 8.841 ( 3.919 1.296 0.823) 4.209 9.254 ( -2.557 2.208 -0.065) 3.379 9.486 ( -1.487 -6.032 -0.456) 6.230 9.600 ( 0.020 -1.157 -2.446) 2.706 9.740 ( 3.223 -4.221 -1.274) 5.462 10.777 ( -0.086 2.689 0.153) 2.695 10.950 ( 3.109 -0.207 2.760) 4.162 11.123 ( -0.197 -0.466 11.115) 11.127 11.221 ( 1.519 0.959 -0.450) 1.852 11.344 ( -0.190 -1.226 -1.389) 1.863 11.405 ( -3.677 -0.264 -3.851) 5.331 11.515 ( 1.132 2.433 0.696) 2.773 11.648 ( 0.190 1.168 -1.869) 2.213 12.213 ( -4.856 3.735 0.473) 6.144 12.597 ( 4.314 0.781 2.281) 4.942 12.956 ( -2.432 1.273 -1.060) 2.943 13.084 ( 4.242 -1.014 2.510) 5.032 13.521 ( 0.367 2.082 3.351) 3.962 14.038 ( -2.506 -7.961 -13.531) 15.898 14.120 ( -3.004 0.022 -9.515) 9.978 14.285 ( -0.809 -0.149 -5.365) 5.428 21.448 ( -1.382 1.083 0.385) 1.798 21.561 ( 1.254 1.243 -0.111) 1.769 21.740 ( -2.687 -7.553 5.763) 9.874 21.865 ( 1.167 -1.515 1.036) 2.175 23.253 ( -0.152 2.239 0.727) 2.359 23.383 ( 0.693 1.318 -0.851) 1.715 23.660 ( -1.903 -1.306 0.952) 2.497 23.715 ( -0.298 0.418 -0.941) 1.072 23.755 ( -2.913 -2.242 -0.999) 3.809 23.829 ( 0.985 -0.296 2.722) 2.909 24.052 ( 2.413 3.947 -1.382) 4.828 24.212 ( 9.629 11.205 -8.508) 17.049 24.679 ( -0.217 0.148 -0.616) 0.670 24.702 ( -0.095 -0.181 -3.402) 3.408 24.876 ( 1.064 1.426 9.661) 9.824 24.958 ( -1.267 2.543 3.206) 4.284 25.860 ( 3.151 -0.038 0.812) 3.255 25.978 ( 0.710 -2.774 -0.340) 2.883 26.220 ( -2.642 4.640 1.073) 5.446 26.746 ( -2.665 -4.966 -11.382) 12.701 27.599 ( 1.405 0.043 -0.809) 1.622 27.642 ( 0.272 -1.559 -2.737) 3.161 27.707 ( -0.714 -0.636 1.373) 1.673 27.762 ( -0.144 0.210 -0.034) 0.257 29.390 ( 0.687 -0.491 9.942) 9.978 29.521 ( 0.669 -0.714 -0.525) 1.111 30.158 ( 1.169 1.300 1.367) 2.219 30.486 ( 1.286 -2.396 -2.645) 3.793 47.692 ( 3.703 3.351 -0.474) 5.017 47.713 ( 3.664 0.361 0.115) 3.683 47.984 ( -1.718 1.200 1.159) 2.395 48.033 ( -3.302 -0.003 -1.143) 3.494 88.723 ( 0.335 -0.572 0.172) 0.684 88.865 ( 1.859 3.022 -2.737) 4.481 89.315 ( 0.390 -5.586 6.036) 8.233 89.870 ( -12.122 -20.656 -22.223) 32.672 90.363 ( -3.592 1.611 1.436) 4.191 90.389 ( -4.890 2.738 -0.850) 5.668 90.971 ( 4.242 12.501 -2.228) 13.388 91.308 ( 22.354 31.840 -16.292) 42.177 ======================= Grid point 78 (36/116) ======================= q-point: (-0.12 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( -17.274 14.400 -4.831) 23.002 0.529 ( -5.696 20.056 3.607) 21.159 0.932 ( -8.514 30.697 13.945) 34.774 1.627 ( -0.526 -0.377 -2.125) 2.222 1.778 ( 3.017 -8.831 -3.690) 10.035 1.856 ( 2.784 1.821 1.226) 3.546 1.920 ( -1.332 3.786 -2.575) 4.768 2.062 ( -0.437 -6.313 0.393) 6.341 2.186 ( 2.643 2.343 1.378) 3.791 2.381 ( -0.543 4.252 2.548) 4.987 2.484 ( 7.144 2.473 2.329) 7.911 2.563 ( -4.884 -1.148 -4.095) 6.476 2.847 ( -0.527 -3.865 5.813) 7.000 2.899 ( 1.620 -0.899 3.686) 4.126 3.058 ( 9.249 -2.231 3.594) 10.171 3.159 ( -2.838 -3.259 -4.403) 6.169 3.283 ( 0.275 -2.222 -1.393) 2.637 3.470 ( -0.620 1.540 4.610) 4.900 3.498 ( -1.905 5.068 0.093) 5.415 3.665 ( 0.649 0.007 0.650) 0.919 3.815 ( 0.679 1.378 1.659) 2.261 3.894 ( -0.469 -0.635 0.060) 0.791 3.989 ( -1.454 8.022 1.588) 8.306 4.267 ( -1.704 -0.859 0.505) 1.974 4.390 ( 10.982 8.987 -2.188) 14.358 4.536 ( 8.884 -10.954 -1.063) 14.144 4.860 ( -3.014 -1.401 -3.049) 4.511 5.012 ( -10.979 -6.916 -13.842) 18.973 5.232 ( -0.712 -0.310 0.597) 0.979 5.457 ( -5.430 0.865 1.744) 5.768 5.758 ( -6.643 11.456 1.104) 13.289 5.909 ( -7.831 12.286 2.088) 14.719 6.302 ( 5.683 -2.185 -1.302) 6.227 6.316 ( 1.667 -5.049 -2.457) 5.857 6.554 ( -2.933 -3.936 -3.283) 5.905 7.064 ( 1.667 -2.658 -1.577) 3.512 7.539 ( 0.373 -0.676 0.935) 1.212 7.698 ( 0.470 -0.893 -0.678) 1.216 7.763 ( -1.632 1.086 0.937) 2.173 8.038 ( 1.543 -2.232 -3.930) 4.776 8.119 ( 2.205 -3.464 -1.230) 4.287 8.185 ( -1.202 -2.762 3.574) 4.674 8.240 ( 2.557 -1.197 -2.245) 3.607 8.401 ( -2.088 -5.850 1.837) 6.478 8.532 ( -0.942 2.200 0.731) 2.503 8.562 ( -1.655 3.261 0.953) 3.779 8.630 ( 0.893 -2.379 -0.870) 2.686 8.919 ( 2.014 0.131 2.317) 3.073 9.229 ( -0.850 3.281 1.963) 3.917 9.465 ( -0.596 -6.533 0.249) 6.565 9.592 ( 0.941 -0.740 -0.231) 1.219 9.777 ( 2.553 -4.675 -0.909) 5.403 10.768 ( -0.058 2.507 -1.811) 3.094 10.996 ( 0.822 -1.684 -3.129) 3.647 11.190 ( -4.380 -2.192 0.958) 4.991 11.245 ( 2.053 1.617 0.123) 2.616 11.330 ( 0.464 -1.957 4.342) 4.785 11.378 ( 0.824 -0.925 2.720) 2.989 11.589 ( 4.652 2.672 3.747) 6.544 11.639 ( 0.369 1.111 -1.392) 1.819 12.165 ( -2.826 3.912 1.110) 4.952 12.682 ( 2.454 -1.864 0.429) 3.112 12.922 ( 1.445 4.551 -3.617) 5.990 13.151 ( 2.036 -1.023 2.044) 3.061 13.568 ( 2.964 1.716 4.656) 5.780 13.678 ( -10.470 1.081 -15.666) 18.873 14.104 ( 0.980 1.815 2.775) 3.458 14.264 ( 1.130 -0.096 -0.337) 1.183 21.432 ( -0.672 1.596 -0.638) 1.846 21.577 ( 0.492 0.714 0.246) 0.901 21.658 ( -10.618 -8.223 -1.450) 13.508 21.875 ( -0.046 -1.764 -0.519) 1.840 23.255 ( -0.309 2.313 0.600) 2.409 23.409 ( 3.265 2.923 -1.544) 4.646 23.625 ( -4.681 -2.515 -0.726) 5.363 23.699 ( -0.070 -0.987 -0.611) 1.163 23.718 ( -0.231 0.136 1.003) 1.039 23.839 ( -1.103 -1.475 2.493) 3.099 24.085 ( 2.224 4.124 -1.989) 5.090 24.315 ( 13.565 14.158 -9.813) 21.926 24.675 ( 0.252 0.451 -0.100) 0.526 24.689 ( 0.841 -0.060 -0.276) 0.887 24.942 ( -0.858 1.962 1.912) 2.871 25.184 ( 14.459 -0.919 22.019) 26.358 25.915 ( 2.741 0.084 0.273) 2.756 25.988 ( 1.695 -0.874 -1.468) 2.407 26.185 ( -1.278 3.586 1.101) 3.963 26.506 ( -10.653 -1.088 -15.660) 18.971 27.569 ( -3.475 -1.214 -2.414) 4.401 27.629 ( 1.083 0.226 -0.465) 1.200 27.709 ( -0.175 0.292 0.772) 0.844 27.756 ( -0.190 -0.012 -0.232) 0.300 29.533 ( 1.017 -1.238 1.724) 2.354 29.576 ( 2.578 -10.772 19.627) 22.537 30.190 ( 0.155 -0.020 2.299) 2.304 30.486 ( 1.767 -2.672 -2.412) 4.010 47.766 ( 5.733 3.345 -2.585) 7.123 47.791 ( 5.928 2.122 0.434) 6.311 47.957 ( -3.647 0.562 -1.293) 3.910 47.962 ( -2.472 0.501 0.146) 2.526 88.764 ( 2.407 1.531 1.899) 3.427 88.880 ( 3.424 3.282 -3.433) 5.855 89.323 ( -5.130 -7.489 -0.136) 9.079 89.452 ( -8.090 -3.915 -5.487) 10.529 90.307 ( -2.322 1.557 -0.096) 2.797 90.345 ( -2.236 2.304 1.194) 3.426 91.014 ( 3.221 13.340 -1.698) 13.828 91.579 ( 35.515 40.358 -26.475) 59.925 ======================= Grid point 79 (37/116) ======================= q-point: ( 0.00 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 6.819 16.390 14.307) 22.800 0.950 ( 4.004 19.548 6.307) 20.927 1.541 ( 3.327 4.511 11.165) 12.493 1.667 ( 1.706 -3.054 0.275) 3.509 1.721 ( 1.624 8.706 6.174) 10.796 1.824 ( -2.227 -4.361 1.128) 5.025 1.899 ( 4.513 -4.212 2.532) 6.672 2.135 ( 4.169 10.406 -2.979) 11.599 2.251 ( -2.911 2.192 2.264) 4.290 2.402 ( -2.968 0.902 5.090) 5.961 2.534 ( -0.687 1.235 -1.928) 2.390 2.650 ( 4.566 0.812 3.883) 6.049 2.797 ( -4.244 0.114 -0.637) 4.293 2.833 ( -6.936 -4.801 -1.362) 8.545 2.989 ( 0.744 0.144 2.368) 2.486 3.167 ( 0.400 -4.197 2.944) 5.142 3.304 ( 2.701 3.409 -1.151) 4.499 3.459 ( -2.268 1.478 -4.263) 5.050 3.605 ( -5.923 1.349 -3.916) 7.228 3.646 ( 3.189 0.765 1.689) 3.689 3.839 ( 0.324 -1.677 2.618) 3.126 3.866 ( 4.817 4.021 -3.230) 7.057 4.090 ( -1.299 4.919 -2.732) 5.775 4.209 ( 0.195 -5.982 1.419) 6.151 4.342 ( -3.964 -9.323 1.747) 10.280 4.420 ( -1.232 -3.025 -3.355) 4.683 4.772 ( 4.131 -2.064 -5.305) 7.033 4.794 ( 0.360 -1.933 -0.985) 2.199 5.463 ( 2.737 9.992 1.902) 10.534 5.577 ( 0.602 8.245 3.021) 8.802 5.889 ( -0.544 10.609 -2.669) 10.953 6.050 ( -1.884 9.617 -2.604) 10.140 6.231 ( 1.822 -3.184 -1.050) 3.816 6.324 ( -5.030 -4.841 -1.429) 7.126 6.391 ( 6.821 -5.614 3.360) 9.452 6.958 ( -1.764 -6.253 -3.116) 7.205 7.531 ( -0.146 0.074 0.222) 0.276 7.702 ( 0.941 0.092 -1.280) 1.591 7.758 ( -1.163 -0.459 0.817) 1.494 7.956 ( -1.468 -3.124 -3.651) 5.024 7.981 ( -0.462 -8.836 -3.110) 9.379 8.081 ( -3.110 -3.915 0.801) 5.064 8.238 ( 1.294 -0.085 -2.466) 2.786 8.308 ( -0.572 -1.497 -3.493) 3.843 8.515 ( -1.296 1.793 -2.898) 3.646 8.596 ( -1.168 -0.629 -0.305) 1.362 8.638 ( -0.297 4.304 -2.055) 4.779 8.920 ( -0.843 -0.529 -3.648) 3.782 9.313 ( 0.547 2.139 2.324) 3.205 9.377 ( -0.226 -0.751 4.058) 4.133 9.589 ( 1.488 -3.188 2.339) 4.225 9.677 ( 0.805 -7.756 0.314) 7.804 10.779 ( -0.103 2.148 -4.160) 4.683 10.893 ( -1.534 -1.074 -6.119) 6.399 11.184 ( -2.727 2.772 4.075) 5.632 11.279 ( 0.498 1.474 -1.068) 1.887 11.351 ( 1.721 -0.063 -1.385) 2.210 11.380 ( -0.412 -3.335 6.249) 7.095 11.611 ( -2.816 1.382 -1.679) 3.558 11.661 ( 0.812 0.385 -0.557) 1.057 12.235 ( -0.685 5.777 0.764) 5.868 12.568 ( -2.732 -4.657 -3.751) 6.574 12.985 ( 1.096 3.571 -1.565) 4.049 13.124 ( -1.605 -1.776 -0.945) 2.574 13.593 ( -1.045 1.604 2.270) 2.970 13.774 ( 10.731 -6.854 6.096) 14.117 14.221 ( 2.054 1.899 6.768) 7.323 14.310 ( 2.602 -0.354 3.679) 4.520 21.429 ( -0.829 0.740 -2.513) 2.748 21.464 ( -2.574 -0.471 -1.825) 3.190 21.624 ( -0.354 2.230 0.151) 2.263 21.811 ( -0.460 -3.319 -1.447) 3.650 23.325 ( 0.685 4.270 0.788) 4.396 23.492 ( -0.095 3.676 -1.585) 4.004 23.537 ( -0.294 -1.947 0.739) 2.104 23.678 ( 0.315 -2.974 1.969) 3.581 23.751 ( 0.464 0.550 2.363) 2.470 23.805 ( -0.810 -1.497 0.492) 1.772 24.157 ( -0.036 5.412 -3.961) 6.707 24.409 ( 1.824 -1.686 -8.265) 8.630 24.705 ( 1.419 0.491 -0.365) 1.545 24.716 ( 1.864 -0.327 1.879) 2.667 24.982 ( -2.564 3.076 0.845) 4.093 25.224 ( -8.252 -5.885 4.106) 10.936 25.946 ( -0.013 0.448 -0.582) 0.734 25.965 ( -1.109 -0.022 -2.522) 2.755 26.298 ( 1.873 3.527 2.560) 4.744 26.458 ( 9.001 -0.597 1.896) 9.217 27.566 ( 0.722 2.269 0.646) 2.467 27.645 ( 0.498 -0.046 0.458) 0.678 27.725 ( -0.191 0.550 0.539) 0.793 27.749 ( 0.013 -0.263 -0.231) 0.350 29.514 ( -4.033 -4.566 9.235) 11.064 29.541 ( -0.133 -1.764 2.395) 2.978 30.210 ( -0.232 1.527 0.474) 1.616 30.423 ( 1.491 -4.594 -1.599) 5.088 47.829 ( -0.303 0.734 -0.170) 0.813 47.877 ( -1.597 2.220 -3.052) 4.098 47.894 ( 0.217 -1.200 -0.211) 1.238 47.933 ( 1.509 -0.441 -0.829) 1.777 88.794 ( -3.186 4.051 -1.639) 5.408 88.957 ( 3.066 4.578 -1.917) 5.833 89.202 ( -3.006 -10.021 4.998) 11.595 89.374 ( 10.053 -10.612 4.865) 15.406 90.342 ( -0.310 2.760 1.065) 2.975 90.370 ( -0.673 2.204 0.863) 2.461 91.343 ( 1.418 17.920 -2.047) 18.092 92.042 ( 8.801 0.859 -19.255) 21.189 ======================= Grid point 80 (38/116) ======================= q-point: ( 0.12 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 1.243 15.516 9.531) 18.252 1.256 ( 10.352 12.532 15.149) 22.219 1.620 ( -2.057 -3.020 -2.258) 4.295 1.683 ( -4.133 -5.893 3.585) 8.041 1.737 ( -0.699 -5.057 0.014) 5.105 1.851 ( 4.493 2.283 4.668) 6.869 2.083 ( -2.179 6.317 6.000) 8.981 2.197 ( 6.606 11.187 -0.217) 12.994 2.221 ( 7.122 5.224 5.463) 10.385 2.473 ( 0.466 -2.459 7.273) 7.692 2.530 ( -2.971 3.643 -0.463) 4.724 2.597 ( -7.338 -6.722 -1.607) 10.080 2.690 ( -6.413 0.345 0.391) 6.435 2.790 ( 5.185 -2.327 0.649) 5.720 3.049 ( -0.261 1.079 5.563) 5.672 3.146 ( -2.645 -0.500 -1.608) 3.136 3.352 ( 2.418 -0.787 2.166) 3.340 3.373 ( -3.314 1.332 -5.309) 6.398 3.437 ( -6.154 -1.549 -3.112) 7.068 3.671 ( 0.445 -4.312 -3.934) 5.854 3.905 ( 3.655 3.751 2.509) 5.807 3.982 ( 7.746 4.812 1.575) 9.254 4.067 ( 1.888 3.641 -1.703) 4.441 4.152 ( -5.403 -6.644 -0.943) 8.616 4.325 ( -2.327 0.819 -0.315) 2.487 4.439 ( 7.559 -1.965 1.881) 8.034 4.729 ( 1.047 -1.838 -7.370) 7.667 4.873 ( 5.271 -2.916 -1.495) 6.206 5.493 ( -1.453 8.503 3.528) 9.320 5.579 ( -3.583 5.782 3.145) 7.494 5.892 ( 2.353 8.387 -2.990) 9.209 6.019 ( 2.156 12.354 -3.516) 13.024 6.224 ( -4.428 -5.131 -0.855) 6.831 6.272 ( 3.278 -4.859 -0.293) 5.868 6.547 ( 7.664 -4.582 2.068) 9.166 6.869 ( -4.512 -4.827 -3.930) 7.687 7.538 ( 0.406 -1.195 0.800) 1.494 7.692 ( -0.491 -1.004 -1.437) 1.821 7.754 ( 0.139 -1.510 0.032) 1.516 7.860 ( -4.199 -5.573 -5.504) 8.887 7.936 ( -1.131 -2.779 -3.510) 4.618 8.038 ( -2.339 -3.386 -0.109) 4.117 8.222 ( 0.117 -0.750 -2.233) 2.359 8.264 ( -0.118 -0.316 -3.955) 3.970 8.468 ( -0.634 1.249 -2.522) 2.885 8.570 ( -1.945 -1.124 0.038) 2.247 8.626 ( 1.372 1.489 -2.008) 2.852 8.862 ( -1.229 -1.351 -3.948) 4.350 9.360 ( 1.237 -0.182 3.153) 3.392 9.403 ( -1.105 3.399 3.467) 4.980 9.623 ( -0.087 -4.503 1.638) 4.793 9.698 ( 0.658 -5.253 1.582) 5.525 10.739 ( 0.675 1.452 -4.514) 4.789 10.817 ( -1.112 0.419 -4.309) 4.470 11.146 ( -5.118 4.349 1.446) 6.870 11.275 ( -0.681 2.459 0.673) 2.639 11.335 ( -0.319 -0.391 -2.237) 2.294 11.457 ( 1.447 -4.243 5.552) 7.136 11.569 ( -0.922 0.876 0.480) 1.359 11.656 ( 0.279 -0.573 -1.868) 1.974 12.271 ( 2.800 4.303 2.607) 5.757 12.494 ( -1.169 -2.591 -3.681) 4.651 12.992 ( 0.262 2.153 0.332) 2.195 13.063 ( -3.865 -0.737 -2.174) 4.495 13.603 ( -1.324 3.233 2.865) 4.518 13.965 ( 6.616 -10.384 2.165) 12.501 14.322 ( 1.729 0.663 6.056) 6.333 14.404 ( 3.135 -1.393 4.613) 5.749 21.396 ( 0.244 -0.145 -2.530) 2.546 21.435 ( 1.444 -0.779 -2.645) 3.112 21.619 ( -0.643 1.614 0.550) 1.823 21.783 ( -0.824 -2.859 -2.443) 3.850 23.337 ( -0.922 5.063 0.717) 5.196 23.436 ( -1.307 2.871 -0.465) 3.188 23.605 ( 3.991 -1.222 1.828) 4.556 23.688 ( -1.317 -4.242 -0.326) 4.454 23.779 ( -0.069 0.337 2.419) 2.444 23.809 ( 0.863 -0.454 1.243) 1.580 24.117 ( -0.373 5.040 -2.802) 5.779 24.321 ( -2.618 -1.068 -7.773) 8.271 24.724 ( 1.306 0.549 -0.380) 1.467 24.771 ( 2.521 -0.809 0.966) 2.819 24.947 ( -3.612 0.953 3.419) 5.065 25.086 ( -10.307 -2.842 3.608) 11.284 25.907 ( -3.544 0.252 -0.612) 3.605 25.915 ( -2.187 -0.443 -1.805) 2.870 26.352 ( 2.097 7.103 2.393) 7.783 26.655 ( 10.596 -3.782 0.291) 11.254 27.595 ( 1.684 1.882 0.568) 2.588 27.651 ( -0.500 0.367 0.519) 0.809 27.723 ( -0.564 0.454 0.430) 0.842 27.751 ( 0.465 -0.161 -0.325) 0.590 29.501 ( -6.651 -2.991 6.667) 9.881 29.558 ( -1.131 -2.230 2.960) 3.875 30.210 ( -0.276 2.017 0.408) 2.077 30.434 ( 1.576 -4.515 -1.203) 4.931 47.773 ( -4.220 0.686 -0.556) 4.311 47.796 ( -4.370 0.979 -0.733) 4.538 47.926 ( 3.311 1.110 -1.374) 3.753 47.984 ( 3.996 -0.633 -0.460) 4.072 88.755 ( -0.901 3.200 0.781) 3.415 88.980 ( 1.805 6.166 -1.318) 6.558 89.169 ( -4.379 -9.384 2.398) 10.630 89.625 ( 11.947 -18.603 4.073) 22.481 90.361 ( 1.291 2.366 1.048) 2.891 90.395 ( 2.693 2.281 0.826) 3.625 91.321 ( -1.652 16.917 -1.878) 17.101 91.889 ( -4.697 4.006 -15.153) 16.363 ======================= Grid point 81 (39/116) ======================= q-point: ( 0.25 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 1.462 10.148 9.608) 14.051 1.454 ( -3.995 5.690 4.970) 8.546 1.493 ( -0.125 -5.124 -3.598) 6.262 1.644 ( -5.566 -1.713 1.915) 6.131 1.761 ( -0.788 0.797 -0.966) 1.480 1.850 ( -2.526 2.118 -2.067) 3.891 2.043 ( -2.383 4.664 2.359) 5.744 2.213 ( -10.910 0.239 -6.176) 12.539 2.349 ( 0.787 0.211 1.569) 1.767 2.384 ( 4.949 3.661 3.651) 7.158 2.599 ( -2.814 0.971 4.378) 5.295 2.694 ( 5.859 -0.544 2.801) 6.517 2.724 ( 10.021 -0.618 12.345) 15.912 2.876 ( 3.519 -2.752 1.543) 4.726 3.028 ( -2.406 1.879 -1.025) 3.220 3.109 ( -2.284 -1.018 -0.362) 2.527 3.302 ( 0.223 -0.520 -0.794) 0.975 3.367 ( -0.010 -2.836 -0.416) 2.866 3.422 ( 0.792 -2.771 3.563) 4.583 3.607 ( -1.617 -4.272 -5.118) 6.860 3.954 ( 0.270 0.483 0.733) 0.918 4.024 ( -6.118 -4.190 -1.263) 7.522 4.091 ( 3.526 4.945 -1.511) 6.259 4.133 ( 5.718 3.870 -0.999) 6.976 4.342 ( 4.150 6.389 1.639) 7.792 4.608 ( 9.448 -1.197 1.174) 9.596 4.653 ( -2.318 2.251 -5.555) 6.427 4.907 ( 1.241 0.793 -2.212) 2.658 5.496 ( -2.776 5.477 3.972) 7.313 5.563 ( -0.467 1.481 1.264) 2.002 5.869 ( -0.645 7.981 -3.043) 8.566 6.031 ( 1.842 7.554 -3.783) 8.647 6.180 ( -0.037 -1.890 1.391) 2.347 6.331 ( 3.601 -3.081 -0.566) 4.772 6.656 ( 3.990 -3.101 0.238) 5.059 6.760 ( -4.359 -2.417 -1.933) 5.346 7.560 ( 0.660 -3.169 1.635) 3.626 7.673 ( -0.152 -2.652 -0.622) 2.728 7.730 ( -2.527 -5.519 -4.863) 7.778 7.756 ( -1.868 -2.900 -1.376) 3.714 7.884 ( -1.461 0.815 -1.917) 2.544 8.013 ( -0.355 -2.030 0.115) 2.064 8.211 ( 0.497 -1.390 -1.027) 1.798 8.226 ( -0.247 0.380 -3.173) 3.205 8.461 ( 1.144 -0.358 0.356) 1.251 8.541 ( -1.182 -0.824 -0.393) 1.494 8.636 ( 1.678 -0.711 -1.314) 2.247 8.813 ( -0.373 -1.408 -3.060) 3.389 9.376 ( -1.301 -1.915 0.249) 2.328 9.433 ( 0.007 4.330 4.135) 5.987 9.628 ( -0.071 -4.775 0.257) 4.782 9.712 ( -0.996 -2.699 1.216) 3.124 10.720 ( 2.011 1.144 -3.719) 4.380 10.782 ( 0.179 0.976 -1.386) 1.705 11.071 ( -4.888 3.304 0.908) 5.970 11.255 ( -1.562 0.800 -1.310) 2.190 11.316 ( -0.893 0.288 0.716) 1.180 11.517 ( 0.357 -4.310 3.220) 5.392 11.584 ( 0.809 -0.147 1.733) 1.918 11.641 ( 0.544 -1.342 -2.141) 2.585 12.365 ( 4.868 2.694 3.368) 6.504 12.465 ( 0.988 -0.506 -2.277) 2.533 12.961 ( -5.627 0.760 -2.598) 6.245 12.994 ( -0.755 -0.016 0.908) 1.181 13.598 ( -1.949 5.217 1.560) 5.784 14.046 ( 2.718 -9.181 -0.038) 9.575 14.383 ( 0.384 0.844 2.929) 3.072 14.474 ( 1.268 -1.750 2.042) 2.973 21.395 ( 1.966 -0.981 -1.345) 2.577 21.452 ( 3.045 -1.870 -1.597) 3.914 21.616 ( -0.773 1.074 1.316) 1.866 21.733 ( -2.119 -1.816 -2.757) 3.923 23.307 ( -1.913 4.182 -0.297) 4.609 23.462 ( 2.416 2.856 2.199) 4.339 23.620 ( -2.475 -2.088 -3.492) 4.762 23.691 ( 2.325 -1.394 2.496) 3.685 23.794 ( -0.827 0.800 1.562) 1.940 23.848 ( 1.883 -1.388 1.631) 2.852 24.092 ( -0.547 3.684 -1.361) 3.966 24.197 ( -3.900 -0.085 -5.220) 6.517 24.737 ( 1.070 0.550 -0.912) 1.510 24.798 ( 1.761 -0.633 -2.618) 3.218 24.936 ( -4.561 -0.877 6.284) 7.814 25.004 ( -4.538 -1.904 5.000) 7.016 25.838 ( -3.844 -0.069 -0.476) 3.874 25.863 ( -2.113 -1.814 -1.309) 3.077 26.400 ( 1.801 9.295 0.448) 9.479 26.786 ( 6.592 -3.941 -1.653) 7.856 27.620 ( 0.645 1.336 0.202) 1.497 27.641 ( -0.668 0.706 -0.010) 0.972 27.716 ( -0.608 0.728 0.218) 0.974 27.755 ( 0.261 0.141 -0.138) 0.327 29.447 ( -6.110 -0.340 4.123) 7.379 29.558 ( -2.284 -2.710 2.602) 4.397 30.208 ( -0.445 2.924 0.273) 2.971 30.448 ( 1.375 -4.230 -0.983) 4.555 47.706 ( -3.215 0.620 -0.481) 3.309 47.731 ( -3.286 0.294 0.085) 3.300 47.965 ( 2.812 1.822 -0.776) 3.439 48.040 ( 3.235 -0.769 -0.319) 3.340 88.765 ( 0.311 2.450 1.284) 2.784 88.996 ( 1.649 7.223 -0.908) 7.464 89.115 ( -4.016 -7.755 0.615) 8.754 89.803 ( 7.151 -21.271 0.634) 22.450 90.404 ( 2.773 3.789 0.937) 4.787 90.463 ( 4.056 1.800 1.148) 4.583 91.262 ( -2.859 15.054 -2.019) 15.455 91.654 ( -7.932 6.435 -10.188) 14.426 ======================= Grid point 82 (40/116) ======================= q-point: ( 0.38 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 0.828 5.306 0.148) 5.372 1.326 ( -6.596 0.438 -0.113) 6.611 1.525 ( -4.700 1.649 -5.081) 7.115 1.541 ( 3.124 -4.090 0.939) 5.232 1.670 ( -8.144 1.171 1.228) 8.319 1.768 ( -5.015 -3.403 -2.176) 6.439 2.032 ( -0.293 8.891 1.487) 9.020 2.146 ( 4.158 3.575 -0.654) 5.523 2.309 ( -4.620 0.234 -0.211) 4.631 2.471 ( 0.108 -1.395 6.449) 6.599 2.639 ( 0.370 7.127 1.848) 7.372 2.765 ( 1.577 -0.282 -1.672) 2.315 2.864 ( 1.164 0.667 -1.065) 1.713 2.929 ( 1.256 -2.739 1.251) 3.263 3.028 ( 1.357 -1.041 -1.532) 2.296 3.092 ( -0.863 -6.595 3.204) 7.383 3.318 ( 1.141 -2.772 -1.437) 3.324 3.370 ( -1.179 -1.184 0.415) 1.722 3.474 ( 1.339 -3.024 3.598) 4.887 3.555 ( 0.488 -1.629 -2.251) 2.821 3.912 ( -3.066 -3.541 -3.264) 5.709 3.945 ( -1.743 -3.241 -0.401) 3.702 4.111 ( 1.833 7.515 -2.624) 8.168 4.227 ( 5.695 -0.177 2.336) 6.158 4.446 ( 5.271 8.376 0.945) 9.942 4.550 ( -3.109 7.470 -3.270) 8.727 4.753 ( 5.964 3.254 0.260) 6.799 4.884 ( -1.572 2.803 -0.691) 3.287 5.474 ( -3.331 1.809 1.125) 3.954 5.585 ( 1.479 -2.951 0.878) 3.416 5.847 ( 1.136 7.612 -1.318) 7.809 6.000 ( -0.656 1.520 -2.642) 3.118 6.236 ( 3.056 4.209 1.365) 5.378 6.364 ( 1.146 -3.526 1.156) 3.884 6.676 ( 0.290 -0.922 -1.186) 1.530 6.722 ( -0.629 -0.137 0.876) 1.087 7.575 ( -0.574 -4.888 0.362) 4.935 7.658 ( -0.124 -4.216 -2.046) 4.688 7.689 ( 0.702 -2.461 1.385) 2.910 7.724 ( -0.629 -6.340 -0.103) 6.372 7.860 ( -0.526 3.378 0.185) 3.423 8.027 ( 0.782 -1.075 1.453) 1.969 8.197 ( 0.091 0.816 -2.264) 2.408 8.214 ( 0.457 -1.342 0.003) 1.417 8.493 ( 0.141 -1.709 1.895) 2.556 8.535 ( 1.135 -1.340 0.551) 1.841 8.649 ( 0.999 -0.559 -0.649) 1.316 8.792 ( 0.834 -1.148 -2.280) 2.686 9.350 ( -0.883 0.018 -0.945) 1.293 9.458 ( -1.284 -0.560 2.651) 2.998 9.629 ( 0.568 -3.258 -1.007) 3.458 9.689 ( -2.178 -1.840 -0.282) 2.865 10.735 ( 3.084 1.827 -1.655) 3.948 10.789 ( 1.061 1.113 0.572) 1.640 11.016 ( -3.945 1.665 2.864) 5.152 11.217 ( -0.164 -1.704 -2.761) 3.248 11.315 ( -1.123 1.350 2.161) 2.784 11.532 ( -0.937 -4.225 1.161) 4.480 11.599 ( -0.001 -0.281 -1.217) 1.249 11.644 ( 0.918 -1.645 0.454) 1.938 12.466 ( 2.743 1.019 0.078) 2.927 12.482 ( 2.904 0.843 1.603) 3.423 12.851 ( -4.291 2.507 -1.550) 5.206 12.987 ( -1.170 -1.733 1.062) 2.346 13.576 ( -1.561 6.775 0.191) 6.955 14.064 ( 0.935 -8.357 -1.867) 8.614 14.389 ( -0.929 1.052 -0.773) 1.602 14.485 ( -0.428 -1.459 -0.983) 1.810 21.428 ( 2.565 -1.046 0.084) 2.772 21.498 ( 2.925 -3.010 0.303) 4.208 21.626 ( -0.214 0.462 2.586) 2.635 21.670 ( -2.242 -0.428 -1.643) 2.812 23.285 ( -0.631 3.583 -0.049) 3.638 23.531 ( 1.961 -1.070 2.213) 3.144 23.549 ( -1.008 3.356 -2.832) 4.505 23.724 ( -0.796 -0.888 0.964) 1.534 23.795 ( -0.147 0.378 0.885) 0.973 23.888 ( 1.216 -1.795 0.869) 2.336 24.059 ( -1.193 2.422 -1.399) 3.041 24.123 ( -1.056 0.696 -1.739) 2.150 24.739 ( 0.792 0.351 -1.898) 2.087 24.787 ( 1.042 -0.886 -3.879) 4.113 24.913 ( -3.767 0.210 3.896) 5.423 25.004 ( -3.691 -2.394 6.204) 7.605 25.785 ( -2.085 -0.390 -0.279) 2.140 25.832 ( -0.622 -3.092 0.116) 3.157 26.418 ( 0.946 10.026 -1.282) 10.152 26.843 ( 3.530 -4.154 -3.298) 6.371 27.612 ( -0.728 1.003 -0.658) 1.403 27.640 ( 0.259 0.416 -0.244) 0.548 27.711 ( -0.263 1.316 0.299) 1.375 27.757 ( -0.014 0.354 0.207) 0.410 29.393 ( -4.250 1.379 2.540) 5.140 29.538 ( -2.490 -2.772 1.518) 4.024 30.201 ( -0.488 3.850 -0.060) 3.881 30.457 ( 0.857 -3.951 -1.137) 4.200 47.663 ( -1.575 0.626 -0.302) 1.722 47.691 ( -1.817 -0.050 0.151) 1.824 47.999 ( 1.778 1.990 -0.063) 2.669 48.079 ( 1.846 -0.825 -0.279) 2.041 88.776 ( -0.103 2.218 0.214) 2.231 89.006 ( 0.575 7.197 -3.180) 7.889 89.070 ( -1.531 -5.846 2.270) 6.456 89.877 ( 3.027 -21.548 -1.925) 21.844 90.463 ( 2.661 5.557 1.459) 6.332 90.534 ( 2.592 1.802 1.581) 3.530 91.203 ( -1.327 13.366 -2.615) 13.684 91.459 ( -4.599 7.063 -7.931) 11.573 ======================= Grid point 83 (41/116) ======================= q-point: (-0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -2.436 0.940 -4.646) 5.330 1.270 ( -3.571 9.893 -1.031) 10.568 1.479 ( 6.563 2.147 -3.196) 7.609 1.588 ( -3.342 -4.319 3.858) 6.687 1.630 ( 5.624 -4.157 -0.769) 7.036 1.688 ( -2.550 -2.078 -1.574) 3.646 2.035 ( -1.658 6.821 0.688) 7.054 2.204 ( 0.945 5.391 1.444) 5.661 2.259 ( 1.044 -1.144 -0.683) 1.693 2.527 ( -1.715 -3.417 5.029) 6.317 2.582 ( -5.331 10.565 -2.745) 12.148 2.720 ( -1.660 -0.154 -6.060) 6.285 2.824 ( -4.130 0.020 -5.373) 6.777 2.919 ( -3.434 -2.130 -3.022) 5.047 3.024 ( -4.364 -2.934 -2.354) 5.761 3.059 ( 2.371 -2.608 1.384) 3.787 3.303 ( 1.238 -0.983 -3.617) 3.948 3.368 ( -0.939 -0.924 2.690) 2.995 3.481 ( -2.414 -4.537 1.287) 5.298 3.589 ( 3.707 -1.821 1.722) 4.475 3.858 ( -0.506 2.820 -2.366) 3.716 3.936 ( 1.325 -6.628 -0.276) 6.764 4.119 ( 2.237 9.464 -2.085) 9.945 4.305 ( -2.996 -2.973 1.107) 4.363 4.453 ( -1.276 8.531 -1.351) 8.731 4.581 ( 6.523 5.483 3.547) 9.230 4.800 ( 0.552 3.952 -1.306) 4.199 4.869 ( 0.328 4.481 0.585) 4.531 5.412 ( -3.132 1.440 -2.059) 4.015 5.611 ( -0.574 -5.367 1.600) 5.630 5.874 ( 2.498 4.142 0.301) 4.846 5.986 ( 1.990 -1.348 -2.057) 3.164 6.247 ( -1.760 5.661 0.542) 5.953 6.432 ( 1.865 -0.428 4.595) 4.978 6.670 ( 0.521 -1.315 -0.431) 1.479 6.727 ( 0.457 0.112 0.460) 0.659 7.557 ( -0.958 -3.367 -0.499) 3.536 7.657 ( 0.722 -2.516 -0.307) 2.636 7.726 ( 2.160 -4.523 2.958) 5.820 7.757 ( 1.626 -6.113 2.793) 6.915 7.871 ( 1.063 2.351 1.421) 2.946 8.051 ( -0.234 -1.527 1.754) 2.338 8.193 ( 1.148 0.691 -0.038) 1.341 8.226 ( 0.642 -1.371 0.447) 1.578 8.499 ( -0.729 -1.079 1.953) 2.347 8.576 ( 1.212 -1.991 2.133) 3.160 8.658 ( 0.605 1.520 0.146) 1.642 8.792 ( 1.616 -0.539 -1.768) 2.455 9.337 ( 0.489 0.918 -1.147) 1.548 9.445 ( -2.398 -3.463 1.120) 4.359 9.625 ( 0.513 -2.376 -2.080) 3.199 9.644 ( -1.581 -2.500 -1.761) 3.443 10.777 ( 2.444 2.492 0.295) 3.503 10.824 ( 1.898 0.504 1.446) 2.439 11.004 ( -2.249 0.922 5.262) 5.796 11.204 ( 2.035 -2.118 -3.129) 4.292 11.321 ( -1.013 1.342 2.640) 3.130 11.513 ( -1.907 -3.830 -0.311) 4.289 11.572 ( -0.758 0.457 -2.293) 2.458 11.661 ( 0.543 -1.541 0.203) 1.646 12.479 ( -2.121 1.711 -0.574) 2.785 12.510 ( 0.037 1.435 0.832) 1.659 12.844 ( 3.461 1.920 2.116) 4.488 12.980 ( -0.802 -2.213 0.908) 2.523 13.559 ( -0.359 6.946 -0.232) 6.959 14.043 ( -0.154 -7.936 -3.607) 8.719 14.341 ( -1.979 0.958 -4.096) 4.649 14.443 ( -1.582 -1.806 -4.317) 4.940 21.466 ( 0.624 -0.818 1.401) 1.739 21.534 ( 1.088 -2.115 0.333) 2.402 21.624 ( -1.703 0.210 2.551) 3.074 21.694 ( 3.331 -1.039 2.799) 4.474 23.283 ( 0.181 3.357 0.286) 3.374 23.483 ( -2.074 -0.218 -3.128) 3.760 23.606 ( 2.578 1.346 2.757) 4.007 23.710 ( -0.935 0.085 -0.107) 0.945 23.791 ( -1.053 0.900 0.146) 1.393 23.894 ( -1.360 -1.414 -0.053) 1.962 24.064 ( 2.274 2.169 0.456) 3.176 24.111 ( 1.588 0.915 -0.975) 2.076 24.724 ( 0.340 0.153 -2.886) 2.910 24.762 ( 0.571 -0.940 -3.840) 3.994 24.890 ( -2.590 1.272 1.764) 3.382 24.991 ( -4.316 -1.709 4.981) 6.808 25.771 ( 0.417 -0.339 0.330) 0.631 25.847 ( 1.041 -3.783 1.804) 4.318 26.408 ( 0.065 9.316 -2.350) 9.608 26.836 ( 0.720 -4.833 -5.254) 7.175 27.597 ( 0.115 0.946 -1.026) 1.400 27.639 ( 0.187 -0.301 -0.726) 0.808 27.712 ( -0.240 1.571 0.576) 1.690 27.760 ( 0.056 0.314 0.394) 0.507 29.363 ( -2.203 2.131 1.961) 3.638 29.512 ( -1.611 -2.440 0.389) 2.949 30.193 ( -0.225 4.229 -0.315) 4.246 30.453 ( 0.354 -3.793 -1.655) 4.153 47.651 ( 0.315 0.661 -0.060) 0.734 47.675 ( -0.168 0.157 -0.050) 0.235 48.019 ( 0.401 1.851 0.485) 1.955 48.093 ( 0.132 -0.736 -0.316) 0.812 88.764 ( -0.826 1.881 -0.859) 2.227 88.954 ( -1.040 1.349 -4.258) 4.587 89.113 ( 1.782 0.146 3.697) 4.107 89.868 ( -0.405 -20.657 -4.427) 21.130 90.501 ( -0.757 6.194 2.285) 6.645 90.565 ( -1.031 2.171 1.692) 2.939 91.174 ( 1.341 12.831 -3.320) 13.321 91.377 ( 4.657 7.908 -7.732) 12.000 ======================= Grid point 84 (42/116) ======================= q-point: (-0.38 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -5.731 8.257 4.092) 10.852 1.170 ( -0.432 11.329 -7.158) 13.408 1.584 ( -4.603 2.070 -3.465) 6.122 1.610 ( 1.421 -2.970 -2.077) 3.893 1.663 ( 6.560 -1.704 1.368) 6.914 1.691 ( 7.745 -4.107 -0.559) 8.785 2.002 ( -2.648 1.034 -2.466) 3.764 2.240 ( -0.230 10.069 1.771) 10.226 2.286 ( 3.434 -3.484 -5.493) 7.355 2.400 ( -2.134 6.718 -4.872) 8.569 2.504 ( -9.903 1.502 -11.973) 15.611 2.594 ( -4.352 -1.884 7.795) 9.124 2.678 ( -4.122 1.183 -1.816) 4.657 2.832 ( -1.598 -3.250 -3.043) 4.730 2.977 ( -1.340 -0.019 -1.050) 1.703 3.130 ( 3.254 -3.785 1.983) 5.371 3.279 ( -0.917 -0.007 -1.857) 2.071 3.377 ( 0.185 -0.378 1.681) 1.733 3.502 ( 1.003 0.273 5.418) 5.517 3.678 ( 3.932 -1.897 1.471) 4.607 3.841 ( 0.499 4.565 -0.714) 4.647 3.972 ( 2.943 -6.036 -0.778) 6.760 4.138 ( 2.068 10.018 -2.829) 10.613 4.176 ( -7.148 0.684 -3.234) 7.875 4.405 ( -4.634 6.132 1.361) 7.806 4.694 ( -3.896 6.632 -0.855) 7.738 4.790 ( 2.929 -8.202 4.879) 9.982 4.912 ( 4.285 3.120 -0.584) 5.333 5.346 ( -1.631 3.518 -3.349) 5.124 5.587 ( -3.459 -3.106 1.143) 4.787 5.924 ( 2.775 1.077 0.330) 2.995 6.017 ( 4.465 -5.008 -2.521) 7.168 6.230 ( -2.483 8.557 3.328) 9.512 6.429 ( -5.366 3.381 0.944) 6.412 6.675 ( -1.204 -1.912 -1.961) 2.992 6.782 ( 5.361 -5.139 3.518) 8.217 7.540 ( -0.674 -0.534 -0.060) 0.862 7.675 ( 1.200 -0.785 0.354) 1.477 7.781 ( 0.118 -3.696 1.670) 4.057 7.827 ( 3.884 -6.521 3.941) 8.552 7.921 ( 2.611 -0.892 1.841) 3.317 8.058 ( -0.164 -2.506 1.545) 2.948 8.225 ( 0.578 -0.469 1.465) 1.643 8.245 ( 1.545 -1.992 0.970) 2.701 8.521 ( 0.160 0.568 3.431) 3.481 8.602 ( -0.353 -1.074 1.777) 2.106 8.672 ( 0.320 3.806 0.820) 3.907 8.813 ( 2.988 0.683 -1.079) 3.249 9.333 ( 0.133 2.142 -1.301) 2.510 9.409 ( -2.646 -4.604 0.274) 5.317 9.586 ( -0.992 -3.131 -2.835) 4.338 9.631 ( 1.269 -4.062 -2.152) 4.769 10.811 ( 1.217 2.207 0.470) 2.564 10.876 ( 2.105 -0.250 2.527) 3.299 11.045 ( 0.081 0.990 6.318) 6.396 11.215 ( 3.006 -1.179 -3.259) 4.587 11.332 ( -0.869 0.670 2.368) 2.610 11.463 ( -3.060 -2.638 -1.534) 4.321 11.546 ( 0.043 1.826 -0.947) 2.057 11.666 ( 0.540 -0.770 -0.915) 1.312 12.390 ( -5.988 4.271 -0.542) 7.375 12.542 ( 1.236 0.468 2.305) 2.657 12.955 ( 5.514 -0.239 2.968) 6.267 12.980 ( 0.042 -0.876 0.497) 1.008 13.560 ( 0.258 5.421 0.498) 5.450 13.990 ( -1.223 -8.307 -5.498) 10.036 14.250 ( -2.783 0.789 -6.350) 6.978 14.356 ( -2.077 -1.828 -6.612) 7.168 21.471 ( -1.309 0.025 1.770) 2.201 21.554 ( 0.853 -1.089 0.624) 1.517 21.643 ( -1.004 -0.177 4.574) 4.686 21.777 ( 2.950 -2.193 2.532) 4.463 23.295 ( 0.772 3.251 0.442) 3.371 23.420 ( -1.742 0.060 -2.637) 3.161 23.664 ( 0.877 -1.075 0.506) 1.477 23.693 ( -0.865 -1.104 1.143) 1.809 23.776 ( -1.029 2.301 0.655) 2.604 23.849 ( -2.829 -0.313 -0.784) 2.952 24.100 ( 2.112 3.623 -0.331) 4.207 24.190 ( 8.021 1.315 0.104) 8.128 24.700 ( 0.201 0.223 -2.660) 2.677 24.730 ( 0.047 -0.756 -3.716) 3.792 24.871 ( -1.475 2.173 2.237) 3.450 24.979 ( -2.157 -0.180 3.971) 4.523 25.802 ( 2.459 -0.003 1.017) 2.661 25.889 ( 1.528 -3.437 1.961) 4.242 26.374 ( -1.288 7.462 -2.694) 8.037 26.766 ( -1.752 -5.791 -7.377) 9.541 27.596 ( 0.924 0.710 -1.065) 1.579 27.632 ( 0.104 -0.886 -1.183) 1.481 27.713 ( -0.426 1.364 0.766) 1.622 27.765 ( -0.011 0.092 0.257) 0.273 29.362 ( -0.638 2.093 2.653) 3.439 29.497 ( -0.313 -1.955 -0.160) 1.986 30.190 ( 0.193 3.815 -0.183) 3.824 30.439 ( 0.301 -3.813 -2.160) 4.393 47.672 ( 2.173 0.721 0.208) 2.299 47.687 ( 1.863 0.709 -0.176) 2.001 48.021 ( -0.914 1.529 0.783) 1.946 48.077 ( -1.606 -0.495 -0.483) 1.748 88.740 ( -0.783 1.672 -0.803) 2.014 88.910 ( 0.697 0.294 -3.975) 4.046 89.178 ( 0.958 -0.521 4.452) 4.583 89.771 ( -4.583 -18.511 -7.822) 20.612 90.477 ( -4.583 4.801 2.278) 7.017 90.531 ( -4.556 3.166 1.121) 5.660 91.187 ( 4.546 13.850 -3.457) 14.981 91.464 ( 15.233 9.526 -8.301) 19.791 ======================= Grid point 85 (43/116) ======================= q-point: (-0.25 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -8.332 15.402 -0.066) 17.511 1.123 ( -9.247 16.283 -1.550) 18.790 1.374 ( -3.375 2.306 -9.202) 10.069 1.599 ( 1.977 -5.470 -2.272) 6.244 1.777 ( 1.459 -4.953 6.036) 7.943 1.806 ( 1.018 0.125 -2.523) 2.723 1.895 ( -2.456 7.440 -5.581) 9.619 2.107 ( -3.012 1.937 -8.749) 9.453 2.233 ( -0.799 2.111 -2.946) 3.712 2.408 ( 6.741 5.895 -3.708) 9.693 2.492 ( 1.978 7.373 5.228) 9.252 2.608 ( -5.077 -2.447 1.690) 5.884 2.659 ( 4.867 -4.067 7.667) 9.951 2.819 ( 0.805 -5.459 1.917) 5.841 2.946 ( -0.224 1.639 -2.191) 2.745 3.160 ( -1.421 -4.071 0.179) 4.316 3.255 ( 0.702 1.432 -1.511) 2.197 3.451 ( 5.336 -1.830 3.928) 6.874 3.570 ( 0.740 6.273 3.311) 7.132 3.697 ( -0.645 2.275 -2.408) 3.375 3.866 ( -0.590 0.019 3.060) 3.116 3.946 ( -3.034 -0.303 -6.109) 6.828 4.082 ( 2.240 -0.789 0.547) 2.437 4.179 ( 2.200 5.577 0.014) 5.996 4.355 ( -3.080 0.428 1.762) 3.574 4.542 ( -9.195 1.603 -1.716) 9.490 4.863 ( -0.439 -4.604 2.051) 5.059 4.955 ( 0.412 -6.671 -1.841) 6.933 5.306 ( 1.835 7.431 -3.532) 8.430 5.549 ( -1.862 3.036 0.875) 3.667 5.957 ( 1.159 1.099 -0.540) 1.686 6.080 ( 5.938 -6.376 -2.380) 9.032 6.225 ( -3.090 11.401 4.671) 12.702 6.324 ( -6.448 2.129 -1.056) 6.872 6.590 ( -5.291 -4.127 -3.561) 7.597 6.909 ( 5.056 -7.063 2.714) 9.100 7.535 ( -0.269 1.037 0.457) 1.165 7.693 ( 0.903 0.470 -0.481) 1.126 7.781 ( -1.278 -1.724 1.011) 2.372 7.929 ( 4.070 -8.726 2.629) 9.981 7.969 ( 1.791 -2.152 0.244) 2.810 8.087 ( 0.646 -3.582 2.969) 4.697 8.227 ( -0.080 -0.570 -0.644) 0.864 8.295 ( 2.364 -2.960 1.325) 4.013 8.558 ( 0.026 1.308 2.598) 2.909 8.607 ( -0.582 0.866 1.379) 1.729 8.676 ( -0.529 4.849 0.204) 4.882 8.874 ( 4.532 1.599 0.457) 4.827 9.314 ( -1.050 3.772 -0.666) 3.971 9.369 ( -2.204 -5.169 -0.051) 5.619 9.556 ( 0.227 -3.458 -2.132) 4.069 9.636 ( 1.623 -6.496 -1.467) 6.855 10.825 ( 0.562 2.343 -0.672) 2.501 10.936 ( 2.290 -1.315 1.625) 3.101 11.117 ( 0.832 0.280 6.249) 6.310 11.233 ( 2.799 -0.891 -2.957) 4.168 11.327 ( -2.151 0.339 1.442) 2.612 11.399 ( -2.126 -0.516 -1.497) 2.650 11.565 ( 1.958 2.872 1.677) 3.859 11.664 ( 0.632 0.254 -1.414) 1.570 12.306 ( -4.407 5.863 1.133) 7.422 12.590 ( 1.300 -1.867 2.946) 3.722 12.979 ( 0.594 1.247 -0.877) 1.637 13.063 ( 3.916 -1.117 2.253) 4.654 13.570 ( -0.287 3.070 1.451) 3.408 13.869 ( -5.314 -8.625 -10.386) 14.508 14.150 ( -1.644 2.382 -3.952) 4.898 14.276 ( -0.644 -1.007 -4.199) 4.366 21.469 ( -0.903 0.999 1.276) 1.855 21.567 ( -0.545 -1.942 1.129) 2.312 21.656 ( -2.516 0.110 3.102) 3.996 21.825 ( 0.780 -2.673 0.994) 2.957 23.309 ( 0.423 3.293 -0.105) 3.322 23.396 ( 1.493 0.153 -1.126) 1.877 23.642 ( -2.365 -0.741 0.451) 2.519 23.689 ( -1.267 -2.443 -0.304) 2.769 23.753 ( -2.055 1.524 -0.194) 2.565 23.826 ( -0.867 -0.230 1.596) 1.831 24.140 ( 3.320 5.065 -0.593) 6.085 24.329 ( 9.913 1.536 -3.355) 10.578 24.685 ( 0.371 0.360 -1.242) 1.346 24.697 ( 0.104 -0.344 -2.748) 2.771 24.920 ( 2.503 2.996 6.843) 7.878 25.004 ( 1.079 1.850 4.023) 4.558 25.861 ( 3.230 0.234 1.021) 3.395 25.930 ( 1.867 -2.321 0.843) 3.096 26.314 ( -2.862 5.283 -2.335) 6.446 26.636 ( -4.456 -6.263 -8.893) 11.755 27.598 ( -0.007 0.030 -1.275) 1.275 27.621 ( 0.393 -0.521 -1.046) 1.233 27.714 ( -0.279 1.049 0.783) 1.338 27.763 ( -0.375 -0.108 0.018) 0.391 29.395 ( 0.030 1.009 5.219) 5.316 29.500 ( 0.582 -1.544 0.161) 1.658 30.196 ( 0.416 2.784 0.316) 2.833 30.424 ( 0.700 -4.042 -2.285) 4.695 47.723 ( 3.583 0.612 0.269) 3.645 47.735 ( 4.440 1.164 -0.105) 4.592 48.005 ( -1.931 0.979 0.670) 2.266 48.032 ( -3.039 -0.110 -0.845) 3.156 88.741 ( 1.373 2.312 1.085) 2.900 88.902 ( 2.673 0.508 -3.325) 4.296 89.217 ( -1.817 -3.461 4.384) 5.873 89.563 ( -9.247 -13.289 -10.744) 19.430 90.413 ( -4.991 3.566 1.380) 6.287 90.457 ( -5.240 3.505 0.993) 6.382 91.248 ( 6.196 15.887 -2.844) 17.288 91.686 ( 22.703 9.218 -10.675) 26.728 ======================= Grid point 86 (44/116) ======================= q-point: (-0.12 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( -10.169 16.516 -1.008) 19.422 0.937 ( -4.013 21.178 -0.058) 21.555 1.396 ( 2.486 11.078 6.696) 13.181 1.640 ( 3.538 -5.067 0.112) 6.181 1.704 ( -5.198 13.063 -0.671) 14.075 1.786 ( -0.790 -7.732 -0.422) 7.784 1.889 ( 2.124 -8.339 1.441) 8.725 2.105 ( 3.864 9.012 -3.059) 10.272 2.221 ( 0.400 0.824 1.685) 1.918 2.461 ( -2.316 3.539 0.447) 4.253 2.545 ( 1.901 2.554 3.097) 4.441 2.554 ( 0.196 1.793 -0.693) 1.932 2.801 ( 1.373 -1.594 5.341) 5.741 2.872 ( -1.194 -3.540 3.779) 5.314 2.959 ( 4.406 -3.298 -0.686) 5.547 3.131 ( -0.715 -2.362 0.813) 2.599 3.272 ( 2.844 3.549 -1.700) 4.855 3.539 ( -1.061 4.262 -4.432) 6.239 3.573 ( 2.004 0.627 3.372) 3.972 3.669 ( -1.318 1.982 -0.175) 2.386 3.846 ( -2.528 0.065 1.335) 2.860 3.871 ( 0.299 0.687 -4.136) 4.203 4.135 ( -0.460 5.172 0.293) 5.201 4.202 ( -0.527 -6.320 -0.388) 6.354 4.328 ( -0.042 -5.572 3.480) 6.569 4.463 ( 0.205 -4.247 -1.276) 4.439 4.805 ( -5.377 -2.022 -2.663) 6.332 4.877 ( -4.185 -6.052 -4.036) 8.392 5.363 ( 7.174 11.077 -0.800) 13.222 5.546 ( 0.222 7.350 0.998) 7.421 5.942 ( -2.271 6.626 -0.856) 7.057 6.115 ( -0.814 2.986 -3.049) 4.345 6.234 ( -0.849 -0.138 -0.619) 1.060 6.252 ( 2.087 1.603 3.368) 4.274 6.457 ( -6.843 -5.798 -2.508) 9.313 6.977 ( 1.769 -7.069 -0.457) 7.302 7.534 ( -0.422 0.869 0.322) 1.018 7.697 ( 0.926 0.653 -1.224) 1.668 7.769 ( -1.357 -0.551 1.142) 1.857 7.983 ( 0.736 -2.551 -1.496) 3.048 7.992 ( 1.907 -10.286 -0.532) 10.475 8.110 ( -2.106 -4.361 2.883) 5.636 8.227 ( 2.103 0.200 -2.112) 2.988 8.329 ( 1.055 -2.916 -0.866) 3.220 8.555 ( -1.097 1.643 -1.004) 2.216 8.612 ( -0.657 1.196 0.706) 1.537 8.662 ( -0.474 5.014 -1.252) 5.189 8.936 ( 2.141 0.719 -0.766) 2.385 9.300 ( -0.436 3.581 0.603) 3.658 9.350 ( -0.959 -3.974 2.186) 4.636 9.554 ( 0.985 -3.158 0.065) 3.309 9.656 ( 1.766 -7.899 -0.348) 8.101 10.814 ( 0.087 2.522 -2.660) 3.667 10.956 ( 0.484 -2.393 -3.283) 4.091 11.173 ( -0.398 0.156 3.268) 3.296 11.256 ( 1.964 -1.095 1.116) 2.511 11.314 ( -1.027 0.847 2.821) 3.120 11.373 ( -0.292 -0.224 -0.593) 0.698 11.627 ( 2.402 1.652 1.878) 3.468 11.656 ( -0.054 0.650 -1.591) 1.720 12.263 ( -2.818 6.279 1.019) 6.957 12.619 ( -0.572 -4.675 0.179) 4.713 12.984 ( 1.854 2.800 -2.474) 4.171 13.125 ( 1.440 -1.793 1.244) 2.615 13.591 ( 1.350 0.918 1.897) 2.503 13.668 ( -4.874 -1.648 -5.116) 7.256 14.146 ( 1.191 2.596 2.733) 3.953 14.260 ( 1.129 -0.582 0.118) 1.276 21.460 ( -0.863 1.262 -0.599) 1.643 21.539 ( -4.280 -2.929 0.283) 5.194 21.633 ( -1.354 2.519 0.290) 2.875 21.828 ( -0.484 -3.146 -0.356) 3.203 23.312 ( 0.369 3.491 -0.021) 3.510 23.439 ( 4.141 0.500 -0.417) 4.192 23.599 ( -4.002 -0.553 0.607) 4.085 23.667 ( -0.663 -2.094 0.304) 2.217 23.733 ( -0.470 1.312 0.728) 1.573 23.817 ( -1.678 -1.095 1.086) 2.279 24.175 ( 2.050 5.283 -2.386) 6.149 24.415 ( 6.640 -0.511 -7.021) 9.677 24.686 ( 0.602 0.000 0.027) 0.602 24.689 ( 1.127 0.438 -0.919) 1.518 24.992 ( -0.116 3.318 2.153) 3.957 25.161 ( 6.451 -1.600 10.468) 12.400 25.919 ( 2.999 0.372 0.199) 3.028 25.969 ( 2.556 -1.146 -0.585) 2.862 26.256 ( -0.882 3.909 -0.887) 4.104 26.468 ( -5.654 -2.811 -5.538) 8.399 27.571 ( -1.251 1.081 -0.661) 1.780 27.630 ( 1.037 -0.171 -0.182) 1.067 27.719 ( 0.028 0.771 0.625) 0.993 27.755 ( -0.454 -0.177 -0.087) 0.495 29.460 ( -0.801 -2.027 8.691) 8.960 29.517 ( 0.641 -1.467 1.300) 2.062 30.206 ( 0.129 1.736 0.632) 1.852 30.418 ( 1.183 -4.380 -2.024) 4.968 47.787 ( 4.045 0.668 -0.153) 4.103 47.821 ( 5.863 0.333 -0.444) 5.889 47.962 ( -3.893 0.210 -1.035) 4.034 47.972 ( -2.878 0.232 -0.542) 2.938 88.807 ( 3.120 3.030 2.149) 4.851 88.925 ( 3.597 1.813 -2.870) 4.946 89.191 ( -4.333 -5.974 2.030) 7.654 89.343 ( -5.483 -7.039 -3.524) 9.594 90.358 ( -2.915 3.356 0.913) 4.538 90.395 ( -3.439 2.595 1.101) 4.447 91.314 ( 4.666 17.518 -2.341) 18.279 91.946 ( 23.010 4.276 -15.927) 28.309 ======================= Grid point 87 (45/116) ======================= q-point: ( 0.00 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 6.263 15.935 10.295) 19.978 1.286 ( 1.989 13.855 3.019) 14.320 1.469 ( 3.398 -7.400 9.385) 12.425 1.570 ( 3.010 -8.916 1.380) 9.512 1.670 ( -2.430 -2.162 2.210) 3.933 1.724 ( -4.240 -5.918 -1.426) 7.418 2.104 ( 4.401 12.860 9.447) 16.553 2.241 ( 3.008 -1.134 5.071) 6.004 2.300 ( 1.185 4.021 -1.936) 4.617 2.377 ( -3.076 -3.570 0.207) 4.717 2.543 ( -0.415 1.744 -0.803) 1.964 2.615 ( 2.873 -4.664 1.110) 5.590 2.826 ( -7.276 3.376 -1.494) 8.159 2.841 ( -4.734 1.664 -0.619) 5.056 3.018 ( 2.081 3.553 4.535) 6.125 3.094 ( 1.024 -3.708 3.977) 5.533 3.409 ( 0.828 6.902 -2.556) 7.407 3.495 ( -4.585 1.299 -4.766) 6.739 3.554 ( 1.865 -2.754 -5.906) 6.779 3.621 ( -2.329 -5.386 -6.988) 9.125 3.861 ( 1.012 4.218 5.286) 6.838 3.944 ( 5.896 0.074 -1.464) 6.075 4.040 ( -2.854 -3.988 2.522) 5.515 4.095 ( 2.395 -3.876 -3.651) 5.838 4.304 ( -1.357 2.361 5.462) 6.103 4.364 ( -0.829 -3.250 2.928) 4.452 4.749 ( 0.957 -0.043 -3.486) 3.615 4.765 ( 0.769 -1.352 -2.110) 2.621 5.641 ( 1.699 7.893 0.266) 8.078 5.699 ( -0.443 2.877 1.337) 3.203 6.059 ( 8.659 4.799 -4.156) 10.737 6.080 ( -2.418 1.544 -1.747) 3.359 6.158 ( 1.251 -5.964 0.019) 6.094 6.217 ( -2.420 -5.521 -3.158) 6.805 6.506 ( -1.947 14.789 3.913) 15.421 6.780 ( -2.336 -12.813 0.088) 13.025 7.579 ( -0.626 5.552 -1.271) 5.730 7.712 ( 0.031 -0.450 -1.919) 1.971 7.724 ( -0.603 -3.724 -1.142) 3.941 7.767 ( -0.583 -7.812 -0.686) 7.863 7.967 ( -1.542 1.878 -0.633) 2.511 8.016 ( -2.521 -3.114 0.640) 4.057 8.246 ( 1.087 0.936 -2.850) 3.191 8.273 ( 0.547 -1.880 -3.255) 3.798 8.556 ( -1.017 2.112 -3.952) 4.595 8.584 ( -1.105 -0.896 -3.193) 3.496 8.738 ( -0.899 6.270 -2.924) 6.976 8.859 ( -0.785 -5.811 -4.704) 7.517 9.368 ( -0.177 5.590 2.926) 6.312 9.434 ( 1.167 4.157 4.474) 6.217 9.505 ( -0.253 -6.397 1.620) 6.603 9.533 ( 2.543 -6.145 2.829) 7.227 10.821 ( -0.373 2.296 -4.699) 5.243 10.862 ( -0.652 -2.038 -5.262) 5.680 11.234 ( -0.641 2.747 4.700) 5.482 11.282 ( 1.536 -1.823 3.082) 3.896 11.338 ( -0.524 0.013 1.584) 1.668 11.349 ( -0.136 -0.691 -1.269) 1.451 11.637 ( -1.526 1.334 -1.725) 2.662 11.657 ( -0.153 -0.731 -1.205) 1.418 12.352 ( -1.319 6.397 -0.520) 6.552 12.468 ( -1.974 -5.901 -2.054) 6.552 13.043 ( 0.362 2.693 -1.114) 2.937 13.087 ( -0.681 -2.133 -0.888) 2.409 13.626 ( 1.082 2.087 2.590) 3.498 13.678 ( 4.392 -3.732 3.936) 6.979 14.260 ( 1.746 2.096 5.634) 6.260 14.294 ( 2.026 -1.407 4.591) 5.212 21.442 ( -1.468 0.700 -2.391) 2.892 21.454 ( -1.749 -0.603 -2.119) 2.813 21.676 ( -0.467 3.275 -0.590) 3.360 21.743 ( -0.456 -3.781 -1.116) 3.969 23.408 ( 1.518 4.424 0.916) 4.766 23.483 ( 2.209 -3.451 0.974) 4.212 23.561 ( -2.270 3.310 0.030) 4.013 23.621 ( -1.023 -3.133 1.155) 3.492 23.764 ( 0.109 0.881 1.529) 1.768 23.782 ( -0.346 -1.043 0.739) 1.324 24.258 ( 0.346 5.297 -4.604) 7.027 24.349 ( 0.752 -4.271 -5.896) 7.319 24.708 ( 1.354 0.117 0.568) 1.473 24.712 ( 1.436 -0.238 1.051) 1.796 25.050 ( -3.618 4.062 0.288) 5.447 25.130 ( -5.175 -4.503 1.271) 6.977 25.955 ( -0.310 0.467 -0.639) 0.850 25.962 ( -0.781 -0.250 -1.294) 1.532 26.364 ( 3.700 3.437 3.396) 6.086 26.423 ( 5.084 -2.758 3.391) 6.704 27.607 ( 0.823 2.015 0.627) 2.265 27.636 ( 0.724 -0.990 0.610) 1.370 27.734 ( -0.254 0.490 0.294) 0.625 27.743 ( -0.200 -0.414 0.023) 0.461 29.483 ( -1.828 0.344 4.632) 4.991 29.506 ( -0.703 -1.809 2.793) 3.401 30.256 ( 0.454 3.378 -0.306) 3.422 30.333 ( 1.050 -4.717 -1.046) 4.945 47.846 ( -0.635 1.090 -0.043) 1.262 47.869 ( -0.987 -1.335 -0.079) 1.662 47.906 ( 0.517 1.081 -1.751) 2.122 47.922 ( 0.933 -0.679 -1.076) 1.577 88.891 ( -2.854 6.204 -0.186) 6.832 89.021 ( 1.342 -6.134 1.725) 6.512 89.067 ( -0.168 4.238 0.120) 4.243 89.199 ( 5.415 -8.325 1.313) 10.018 90.387 ( -0.888 1.734 0.997) 2.188 90.398 ( -0.765 0.556 0.970) 1.355 91.672 ( 2.285 16.458 -4.461) 17.204 91.933 ( 4.207 -10.867 -9.385) 14.962 ======================= Grid point 88 (46/116) ======================= q-point: ( 0.12 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -1.671 14.149 6.430) 15.631 1.442 ( 2.272 3.472 6.711) 7.890 1.563 ( -3.820 -1.834 -2.885) 5.126 1.575 ( -1.766 -4.509 6.890) 8.422 1.661 ( 2.347 -0.002 5.585) 6.058 1.778 ( 7.586 -8.178 6.817) 13.073 2.221 ( -4.016 7.786 3.307) 9.364 2.291 ( 3.108 1.868 -2.616) 4.472 2.321 ( 3.376 1.145 1.032) 3.711 2.383 ( -2.195 -6.916 4.449) 8.511 2.567 ( 2.768 3.274 1.733) 4.624 2.606 ( -4.104 1.892 -1.709) 4.831 2.719 ( -5.730 1.637 1.850) 6.240 2.735 ( 0.922 -1.846 1.746) 2.703 3.091 ( -0.581 3.034 5.614) 6.408 3.135 ( -1.422 -1.380 3.806) 4.291 3.375 ( -3.256 2.311 -2.824) 4.891 3.397 ( -0.344 3.617 -2.155) 4.225 3.438 ( -4.332 0.067 -9.223) 10.190 3.548 ( 0.539 -8.440 -6.396) 10.604 3.928 ( 1.874 0.941 1.893) 2.825 3.982 ( -1.570 -5.182 1.168) 5.539 4.097 ( 7.050 5.301 0.063) 8.820 4.147 ( 4.536 0.386 -1.389) 4.760 4.360 ( 1.057 1.228 2.221) 2.750 4.391 ( 5.477 -2.520 2.828) 6.659 4.741 ( 2.224 2.961 -2.684) 4.573 4.810 ( 4.691 -3.726 -0.014) 5.991 5.639 ( -2.531 5.732 0.998) 6.345 5.668 ( -4.322 2.569 0.848) 5.099 6.012 ( -1.366 4.183 -1.826) 4.764 6.095 ( -3.526 -5.851 0.111) 6.832 6.188 ( 8.174 4.657 -3.812) 10.150 6.247 ( 5.499 -0.842 -4.719) 7.295 6.542 ( 1.292 6.539 4.845) 8.240 6.728 ( -3.795 -10.158 0.286) 10.847 7.553 ( -0.771 3.585 -1.616) 4.008 7.665 ( -1.908 -5.784 -3.699) 7.126 7.704 ( -0.926 -0.908 -1.604) 2.063 7.738 ( -1.837 -3.916 -1.293) 4.515 7.935 ( -1.030 1.935 -0.860) 2.354 7.982 ( -1.476 -2.800 -0.150) 3.169 8.223 ( -0.094 0.810 -2.720) 2.839 8.246 ( 0.052 -1.368 -2.979) 3.278 8.500 ( -0.804 1.977 -3.694) 4.266 8.535 ( -0.942 -1.794 -2.829) 3.480 8.697 ( 0.161 5.023 -3.752) 6.272 8.797 ( -0.494 -5.126 -4.977) 7.162 9.387 ( -1.242 4.313 3.086) 5.447 9.479 ( -2.042 -1.032 4.044) 4.647 9.532 ( 1.974 -0.452 2.352) 3.104 9.606 ( 2.043 -4.779 3.559) 6.299 10.771 ( 0.213 1.853 -4.714) 5.070 10.804 ( -0.159 -1.475 -4.676) 4.906 11.227 ( -4.526 4.203 1.678) 6.400 11.293 ( -2.335 -2.208 -0.511) 3.254 11.337 ( 0.351 1.976 1.334) 2.410 11.386 ( 1.738 -3.133 3.525) 5.026 11.595 ( -1.083 1.833 -1.242) 2.465 11.632 ( -0.546 -1.871 -2.116) 2.877 12.355 ( 1.741 4.518 0.729) 4.896 12.434 ( 0.322 -3.778 -1.518) 4.085 13.026 ( -1.320 1.473 -0.647) 2.081 13.048 ( -2.696 -0.928 -1.435) 3.192 13.678 ( 1.478 4.931 2.794) 5.857 13.794 ( 4.629 -7.637 2.917) 9.395 14.346 ( 1.353 1.715 6.033) 6.416 14.378 ( 1.832 -1.549 5.363) 5.876 21.400 ( -0.284 0.570 -2.701) 2.775 21.416 ( 0.121 -1.102 -2.559) 2.789 21.663 ( -0.264 2.968 -0.839) 3.096 21.724 ( -0.300 -3.332 -1.815) 3.806 23.429 ( -1.369 4.256 1.358) 4.673 23.472 ( -2.559 0.230 1.235) 2.850 23.585 ( 3.567 -0.190 0.377) 3.592 23.617 ( 0.426 -3.146 -0.343) 3.193 23.788 ( 0.370 0.579 1.931) 2.050 23.799 ( 0.758 -0.597 1.576) 1.848 24.207 ( -1.012 4.502 -4.189) 6.232 24.280 ( -1.925 -3.141 -5.922) 6.974 24.736 ( 1.476 0.759 0.232) 1.676 24.753 ( 1.965 -1.009 0.942) 2.402 24.979 ( -4.996 2.405 1.398) 5.719 25.031 ( -6.940 -2.964 1.376) 7.671 25.911 ( -3.717 0.153 -0.731) 3.792 25.912 ( -3.475 0.008 -0.977) 3.610 26.473 ( 4.862 5.874 3.181) 8.262 26.574 ( 7.595 -4.901 2.735) 9.444 27.630 ( 0.754 1.635 0.945) 2.034 27.650 ( -0.063 -0.505 0.884) 1.020 27.732 ( -0.172 0.576 0.125) 0.614 27.744 ( 0.351 -0.581 -0.134) 0.692 29.483 ( -3.315 0.711 4.128) 5.342 29.514 ( -1.863 -2.270 3.006) 4.202 30.264 ( 0.818 3.710 -0.204) 3.804 30.345 ( 1.461 -4.793 -0.794) 5.074 47.787 ( -4.302 0.768 -0.522) 4.401 47.799 ( -4.543 -0.442 -0.580) 4.601 47.948 ( 3.891 1.205 -1.056) 4.208 47.969 ( 3.973 -0.980 -0.691) 4.150 88.846 ( -2.335 6.348 1.200) 6.870 88.985 ( -4.015 -8.074 2.365) 9.322 89.136 ( 5.051 8.647 -1.044) 10.068 89.338 ( 7.903 -12.808 1.309) 15.107 90.405 ( 1.883 1.915 0.988) 2.862 90.422 ( 2.404 0.283 0.860) 2.569 91.623 ( -2.643 14.652 -4.280) 15.491 91.842 ( -3.850 -7.990 -8.657) 12.394 ======================= Grid point 89 (47/116) ======================= q-point: ( 0.25 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -4.199 6.828 4.894) 9.392 1.383 ( -6.187 -4.633 -2.874) 8.247 1.505 ( -3.110 2.179 3.209) 4.972 1.585 ( -2.750 -4.722 3.857) 6.689 1.804 ( -0.892 2.975 1.644) 3.514 1.853 ( -3.632 -1.707 -1.176) 4.182 2.156 ( -2.384 6.231 1.747) 6.896 2.215 ( -5.157 0.095 -2.934) 5.934 2.342 ( 1.251 -0.779 0.205) 1.488 2.374 ( 1.328 -3.732 1.519) 4.243 2.665 ( 3.145 3.730 5.267) 7.180 2.702 ( 5.781 -0.478 5.366) 7.902 2.733 ( 5.196 3.142 6.375) 8.804 2.808 ( 3.312 -4.173 1.959) 5.676 3.070 ( -4.783 2.425 -0.079) 5.363 3.101 ( -4.789 -0.564 -2.003) 5.222 3.298 ( -0.918 1.085 -2.340) 2.738 3.342 ( -1.194 -2.495 0.167) 2.771 3.416 ( 2.468 3.864 0.247) 4.591 3.516 ( 1.688 -5.613 -3.258) 6.706 3.911 ( -3.045 -0.688 -2.675) 4.111 3.949 ( -3.414 -4.069 -0.897) 5.387 4.162 ( 2.549 4.157 0.114) 4.877 4.210 ( 3.342 -0.018 -0.791) 3.435 4.457 ( 8.318 5.991 2.058) 10.456 4.552 ( 9.139 -3.968 1.835) 10.131 4.765 ( 2.797 7.188 -1.113) 7.793 4.875 ( 3.364 -4.027 -1.327) 5.413 5.582 ( -5.090 3.174 1.077) 6.095 5.602 ( -4.107 1.337 0.221) 4.325 5.989 ( 0.388 4.727 -2.197) 5.227 6.058 ( -1.287 -3.075 -0.946) 3.465 6.233 ( 3.522 5.788 -3.295) 7.534 6.297 ( 4.473 -1.533 -2.959) 5.578 6.620 ( 2.360 0.514 3.505) 4.256 6.685 ( -2.295 -5.075 2.125) 5.961 7.527 ( -0.803 0.599 -0.835) 1.304 7.594 ( -1.948 -5.742 -3.441) 6.971 7.663 ( -1.901 -0.654 -1.131) 2.306 7.687 ( -2.402 -2.981 -1.709) 4.192 7.926 ( 0.209 2.910 0.374) 2.942 7.976 ( 0.548 -2.267 0.419) 2.370 8.204 ( 0.434 0.556 -1.717) 1.856 8.221 ( 0.119 -0.861 -2.233) 2.396 8.470 ( 0.130 1.339 -1.074) 1.721 8.504 ( -0.418 -2.130 -1.210) 2.485 8.674 ( 1.376 3.590 -3.586) 5.258 8.753 ( 0.558 -4.450 -4.056) 6.047 9.386 ( -1.720 3.247 1.766) 4.077 9.464 ( -3.259 -3.340 2.682) 5.382 9.587 ( 1.534 2.304 1.732) 3.265 9.652 ( -0.024 -3.644 2.122) 4.217 10.747 ( 1.910 1.739 -3.260) 4.159 10.777 ( 1.364 -1.204 -2.481) 3.077 11.146 ( -5.481 4.447 -0.071) 7.059 11.224 ( -3.897 -3.510 -1.873) 5.569 11.359 ( -0.405 3.674 2.294) 4.350 11.435 ( 0.189 -4.301 2.830) 5.152 11.588 ( 0.618 0.737 0.214) 0.986 11.612 ( 0.387 -1.630 -1.526) 2.266 12.413 ( 3.639 2.286 1.501) 4.552 12.447 ( 2.294 -1.367 -0.493) 2.715 12.976 ( -4.179 0.843 -1.418) 4.493 12.990 ( -2.525 -0.506 -0.224) 2.585 13.716 ( 0.635 7.338 1.220) 7.466 13.870 ( 2.620 -9.086 0.670) 9.480 14.408 ( 0.179 1.698 3.536) 3.926 14.442 ( 0.548 -1.835 3.185) 3.717 21.389 ( 1.544 0.475 -1.349) 2.105 21.413 ( 1.839 -1.923 -1.391) 3.003 21.650 ( -0.635 2.304 -0.342) 2.414 21.694 ( -1.208 -2.312 -1.697) 3.112 23.391 ( -2.376 4.524 -0.162) 5.113 23.464 ( -1.117 -2.726 1.409) 3.266 23.617 ( 1.706 1.888 -0.693) 2.637 23.659 ( 2.385 -2.099 1.784) 3.644 23.808 ( -0.005 0.808 1.334) 1.560 23.826 ( 0.856 -1.060 1.084) 1.741 24.152 ( -1.505 2.584 -2.839) 4.124 24.186 ( -2.867 -1.112 -4.248) 5.244 24.754 ( 1.074 1.178 -1.086) 1.929 24.778 ( 1.295 -1.346 -1.629) 2.478 24.936 ( -3.890 0.902 4.438) 5.970 24.965 ( -4.033 -1.993 3.917) 5.965 25.838 ( -4.099 0.095 -0.496) 4.130 25.843 ( -3.546 -0.501 -0.903) 3.693 26.561 ( 3.376 7.859 0.727) 8.584 26.692 ( 5.078 -6.069 0.127) 7.914 27.642 ( -0.272 0.832 0.419) 0.970 27.649 ( -0.644 0.108 0.348) 0.740 27.733 ( 0.146 1.029 0.056) 1.041 27.750 ( 0.459 -0.682 -0.017) 0.822 29.460 ( -3.663 1.703 3.046) 5.059 29.504 ( -2.612 -2.811 2.517) 4.589 30.276 ( 0.833 4.251 -0.264) 4.340 30.362 ( 1.439 -4.808 -0.734) 5.072 47.719 ( -3.306 0.689 -0.382) 3.398 47.729 ( -3.397 -0.377 -0.240) 3.426 47.997 ( 3.080 1.534 -0.621) 3.497 48.022 ( 3.179 -1.147 -0.454) 3.410 88.838 ( -0.798 5.260 1.666) 5.575 88.957 ( -2.346 -7.226 2.092) 7.880 89.188 ( 3.242 11.697 -1.962) 12.296 89.451 ( 5.378 -16.439 -0.535) 17.305 90.464 ( 3.897 2.459 1.294) 4.786 90.487 ( 4.118 0.192 1.192) 4.291 91.519 ( -4.698 11.621 -3.944) 13.140 91.672 ( -6.808 -4.139 -6.969) 10.586 ======================= Grid point 90 (48/116) ======================= q-point: ( 0.38 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -4.411 1.730 -1.823) 5.077 1.317 ( -2.426 -5.075 4.777) 7.380 1.488 ( -1.272 2.754 0.119) 3.036 1.541 ( -2.717 -0.846 -2.344) 3.687 1.682 ( -8.337 0.313 -2.155) 8.616 1.707 ( -5.985 -2.712 -2.624) 7.075 2.183 ( 0.622 5.467 0.870) 5.571 2.209 ( 3.418 2.212 -0.115) 4.072 2.349 ( -2.334 3.076 1.767) 4.247 2.416 ( -1.472 -3.839 6.130) 7.381 2.769 ( 2.812 3.394 0.475) 4.433 2.793 ( 3.908 3.922 1.157) 5.656 2.856 ( 1.199 -1.343 -1.674) 2.458 2.887 ( 3.661 -0.848 4.651) 5.979 2.986 ( -2.656 -2.729 -4.108) 5.602 2.987 ( -4.013 -3.707 0.056) 5.463 3.304 ( 0.684 1.224 -0.120) 1.407 3.347 ( -0.374 -2.485 1.896) 3.148 3.459 ( 1.572 2.820 0.444) 3.259 3.527 ( 1.965 -2.689 -1.212) 3.544 3.831 ( -2.188 -1.359 -1.850) 3.171 3.871 ( -3.086 -4.490 -1.278) 5.596 4.204 ( 2.300 3.507 0.266) 4.203 4.243 ( 1.150 -0.397 0.730) 1.419 4.598 ( 5.851 6.669 -0.300) 8.877 4.654 ( 1.945 1.355 -0.984) 2.567 4.825 ( 5.520 4.770 -0.314) 7.302 4.897 ( 1.782 -1.838 -1.312) 2.877 5.514 ( -3.906 2.111 0.047) 4.440 5.547 ( -2.746 -1.478 0.545) 3.166 5.967 ( 0.522 4.667 -4.420) 6.449 6.013 ( -0.865 -0.392 -4.243) 4.348 6.292 ( 4.136 2.167 1.921) 5.049 6.324 ( 1.614 -1.330 0.290) 2.112 6.667 ( 0.151 0.344 1.959) 1.995 6.695 ( -0.244 -2.152 2.589) 3.376 7.511 ( -0.517 -0.917 -0.003) 1.053 7.560 ( 0.406 -5.646 -0.241) 5.666 7.635 ( -1.140 -1.397 0.243) 1.820 7.645 ( -0.945 -2.044 0.526) 2.312 7.938 ( 0.265 4.062 0.712) 4.133 7.998 ( 0.838 -2.272 1.055) 2.641 8.200 ( 0.594 0.212 -1.039) 1.215 8.207 ( 0.396 -0.190 -1.416) 1.483 8.479 ( 0.299 0.471 1.403) 1.509 8.503 ( 0.638 -1.776 1.076) 2.172 8.673 ( 2.211 2.631 -2.517) 4.260 8.738 ( 1.668 -3.922 -2.769) 5.082 9.371 ( -1.072 2.717 0.207) 2.928 9.433 ( -3.040 -3.012 1.687) 4.600 9.607 ( 0.275 1.163 -0.359) 1.247 9.647 ( -1.715 -2.498 -0.079) 3.031 10.770 ( 3.335 1.781 -1.305) 4.000 10.795 ( 2.090 -0.650 -0.317) 2.211 11.070 ( -4.070 3.974 1.122) 5.798 11.153 ( -2.222 -4.471 -1.583) 5.238 11.368 ( -1.048 3.847 2.092) 4.502 11.448 ( -1.009 -4.569 1.587) 4.941 11.598 ( 0.319 0.358 -0.645) 0.804 11.614 ( 0.728 -1.321 0.083) 1.511 12.483 ( 2.723 0.767 0.514) 2.876 12.491 ( 2.753 0.036 1.107) 2.968 12.900 ( -3.257 2.716 -0.594) 4.282 12.949 ( -2.209 -2.380 0.287) 3.259 13.723 ( -0.038 8.776 -0.477) 8.789 13.895 ( 0.994 -9.398 -1.298) 9.539 14.416 ( -1.235 1.771 -0.171) 2.166 14.452 ( -1.014 -2.000 -0.321) 2.265 21.420 ( 2.366 0.384 0.576) 2.465 21.445 ( 2.454 -2.272 0.477) 3.378 21.641 ( -0.619 1.020 0.978) 1.543 21.659 ( -1.341 -0.798 -0.456) 1.625 23.365 ( -0.715 4.724 -0.322) 4.789 23.455 ( -0.584 -4.751 -0.471) 4.810 23.640 ( 0.681 4.030 0.874) 4.179 23.696 ( 0.067 -2.073 1.370) 2.485 23.815 ( 0.110 1.575 0.416) 1.633 23.850 ( 1.034 -2.112 0.655) 2.441 24.103 ( -1.168 1.970 -1.914) 2.985 24.126 ( -0.873 -0.463 -1.728) 1.991 24.750 ( 0.722 0.796 -2.457) 2.681 24.768 ( 0.706 -1.043 -3.224) 3.461 24.927 ( -3.046 1.249 4.527) 5.598 24.960 ( -3.124 -2.223 5.314) 6.552 25.782 ( -2.209 0.144 -0.098) 2.215 25.793 ( -1.665 -1.206 -0.047) 2.057 26.595 ( 1.470 8.772 -1.770) 9.069 26.741 ( 2.385 -6.737 -2.389) 7.536 27.630 ( -0.731 0.859 -0.534) 1.248 27.641 ( -0.451 -0.314 -0.338) 0.646 27.738 ( 0.208 1.376 0.234) 1.411 27.756 ( 0.175 -0.526 0.191) 0.586 29.430 ( -2.934 2.472 2.033) 4.342 29.482 ( -2.441 -3.009 1.656) 4.214 30.283 ( 0.483 4.759 -0.565) 4.817 30.374 ( 0.932 -4.803 -0.978) 4.989 47.676 ( -1.654 0.687 -0.134) 1.796 47.686 ( -1.750 -0.420 0.006) 1.800 48.034 ( 1.837 1.643 -0.183) 2.471 48.060 ( 1.849 -1.203 -0.244) 2.219 88.838 ( -0.768 4.396 0.432) 4.483 88.937 ( -1.731 -6.124 0.189) 6.367 89.214 ( 2.295 13.080 -1.297) 13.343 89.505 ( 2.816 -17.955 -1.698) 18.254 90.544 ( 3.420 2.834 1.937) 4.846 90.564 ( 2.946 0.657 1.927) 3.581 91.415 ( -2.670 8.765 -3.964) 9.983 91.513 ( -4.249 -1.340 -5.890) 7.386 ======================= Grid point 91 (49/116) ======================= q-point: (-0.50 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -0.404 5.698 0.060) 5.712 1.349 ( 0.384 -10.131 5.399) 11.486 1.446 ( -3.782 5.812 -1.958) 7.206 1.532 ( 3.938 -2.016 -2.251) 4.964 1.607 ( 1.506 1.250 -0.293) 1.979 1.655 ( 2.759 -2.911 -0.657) 4.064 2.155 ( -3.669 5.756 -4.081) 7.953 2.230 ( 0.709 -1.806 -4.117) 4.551 2.325 ( -2.446 6.243 5.111) 8.431 2.445 ( -2.696 -5.659 7.149) 9.509 2.733 ( -2.421 2.152 -6.481) 7.245 2.771 ( -5.306 6.160 -5.445) 9.785 2.802 ( -2.481 -1.369 -4.478) 5.299 2.872 ( -5.865 -2.099 -3.674) 7.232 2.975 ( 0.932 -0.868 1.434) 1.918 3.011 ( 3.766 -3.090 0.927) 4.959 3.310 ( 1.302 1.529 0.734) 2.138 3.356 ( -0.546 -2.629 3.108) 4.107 3.463 ( -0.470 4.618 0.455) 4.664 3.554 ( 2.010 -3.122 0.589) 3.760 3.840 ( 2.628 -1.825 1.245) 3.433 3.855 ( 0.995 -2.797 0.749) 3.062 4.230 ( 0.398 3.096 -0.185) 3.127 4.264 ( -0.221 -1.267 1.076) 1.676 4.599 ( -1.921 6.150 -3.346) 7.260 4.654 ( 0.629 0.607 -1.534) 1.765 4.880 ( 0.022 4.196 -0.283) 4.206 4.922 ( 1.344 0.344 0.319) 1.424 5.464 ( -1.061 3.395 -1.393) 3.820 5.527 ( -0.317 -3.633 0.418) 3.671 5.924 ( 1.056 2.005 -6.148) 6.552 5.962 ( 0.661 -1.549 -5.416) 5.672 6.347 ( 0.973 4.872 3.202) 5.910 6.415 ( 4.074 -2.163 5.391) 7.095 6.663 ( -2.348 0.972 0.778) 2.658 6.702 ( -1.804 -2.423 1.532) 3.387 7.520 ( 0.832 0.509 1.358) 1.672 7.594 ( 2.089 -6.745 2.366) 7.447 7.637 ( 0.538 0.067 1.662) 1.748 7.671 ( 1.326 -3.230 2.898) 4.537 7.943 ( -0.279 4.199 0.528) 4.241 8.011 ( -0.486 -2.898 0.726) 3.027 8.202 ( 0.625 0.277 -0.253) 0.729 8.208 ( 0.593 -0.491 -0.421) 0.877 8.504 ( 0.544 1.472 2.751) 3.167 8.540 ( 0.999 -2.010 2.875) 3.647 8.698 ( 2.788 2.598 -0.661) 3.868 8.754 ( 2.677 -3.088 -1.235) 4.270 9.360 ( 0.083 1.797 -0.714) 1.936 9.399 ( -2.639 -2.086 0.732) 3.443 9.594 ( -0.224 -0.668 -2.213) 2.322 9.603 ( -2.056 -1.541 -2.086) 3.309 10.814 ( 2.360 1.363 -0.008) 2.725 10.828 ( 1.539 -0.209 0.966) 1.829 11.048 ( -0.841 3.765 2.767) 4.747 11.133 ( 1.173 -4.794 -0.917) 5.020 11.369 ( -1.215 3.416 2.042) 4.161 11.439 ( -1.499 -3.937 0.816) 4.292 11.590 ( -0.057 1.513 -0.996) 1.812 11.625 ( 0.529 -2.105 0.015) 2.170 12.509 ( -0.853 1.346 0.638) 1.716 12.524 ( -0.163 -0.079 1.318) 1.330 12.886 ( 1.611 2.546 1.116) 3.213 12.935 ( 0.132 -2.585 0.741) 2.692 13.709 ( -0.453 8.844 -1.586) 8.996 13.880 ( -0.329 -9.236 -2.892) 9.684 14.367 ( -2.349 1.786 -3.676) 4.714 14.405 ( -2.179 -2.184 -3.848) 4.932 21.461 ( 0.629 0.531 2.126) 2.280 21.488 ( 0.958 -2.219 1.940) 3.099 21.644 ( 0.023 1.494 1.665) 2.237 21.672 ( 1.785 -1.341 2.012) 3.006 23.356 ( 0.028 4.256 -0.461) 4.281 23.435 ( -0.670 -3.910 -1.711) 4.320 23.652 ( -0.233 2.644 1.130) 2.885 23.692 ( -1.242 -1.674 0.377) 2.118 23.823 ( -0.160 2.153 0.700) 2.270 23.862 ( -0.608 -1.949 0.519) 2.106 24.102 ( 2.586 1.666 -0.121) 3.078 24.120 ( 1.765 -0.164 -0.724) 1.915 24.731 ( 0.442 0.580 -3.191) 3.273 24.745 ( 0.536 -0.852 -3.507) 3.648 24.918 ( -2.653 1.760 3.306) 4.590 24.955 ( -3.164 -2.045 4.533) 5.894 25.772 ( 0.548 0.526 0.809) 1.110 25.794 ( 0.842 -1.946 1.345) 2.511 26.576 ( -0.289 8.572 -3.875) 9.412 26.724 ( -0.127 -7.065 -4.818) 8.552 27.615 ( -0.049 0.897 -1.024) 1.362 27.630 ( -0.136 -0.628 -0.931) 1.131 27.742 ( -0.118 1.413 0.346) 1.460 27.760 ( -0.033 -0.473 0.289) 0.555 29.409 ( -1.683 2.746 1.477) 3.543 29.462 ( -1.492 -2.851 0.921) 3.347 30.280 ( 0.087 4.937 -0.896) 5.019 30.372 ( 0.302 -4.748 -1.400) 4.959 47.664 ( 0.229 0.667 0.090) 0.711 47.673 ( 0.090 -0.314 0.106) 0.344 48.051 ( 0.327 1.516 0.140) 1.557 48.076 ( 0.226 -1.089 -0.118) 1.119 88.818 ( -1.156 3.835 -1.004) 4.129 88.902 ( -1.391 -4.754 -1.921) 5.313 89.240 ( 1.544 11.627 0.117) 11.729 89.512 ( 0.474 -17.073 -2.451) 17.255 90.590 ( -1.199 2.848 2.534) 3.996 90.603 ( -0.993 1.186 2.459) 2.905 91.371 ( 2.437 7.709 -4.261) 9.139 91.448 ( 3.930 -0.266 -5.566) 6.819 ======================= Grid point 92 (50/116) ======================= q-point: (-0.38 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 3.748 8.964 5.312) 11.073 1.344 ( -4.696 6.761 -2.008) 8.474 1.451 ( 5.069 -8.491 4.214) 10.750 1.519 ( -2.244 -6.994 0.015) 7.345 1.684 ( -0.768 3.812 -4.981) 6.320 1.737 ( 7.634 -0.016 -1.978) 7.886 2.039 ( -0.802 5.337 -5.158) 7.465 2.178 ( 2.183 -7.706 -7.454) 10.942 2.381 ( 1.319 5.321 8.243) 9.899 2.460 ( -3.075 -1.509 1.421) 3.708 2.538 ( -6.675 4.603 -9.867) 12.771 2.624 ( -5.896 -0.580 -4.245) 7.288 2.708 ( -5.638 1.393 -1.385) 5.971 2.734 ( -2.775 -3.830 -3.820) 6.080 3.002 ( 1.070 2.760 -0.069) 2.961 3.065 ( 2.208 -3.460 0.610) 4.150 3.335 ( 0.781 4.338 0.034) 4.408 3.389 ( -0.366 -0.023 1.726) 1.765 3.518 ( 3.669 3.404 7.446) 8.971 3.620 ( 3.456 -4.813 3.886) 7.086 3.880 ( 1.006 0.131 -0.467) 1.117 3.895 ( 2.135 -2.218 -0.058) 3.079 4.203 ( -2.896 2.724 -1.460) 4.236 4.240 ( -0.658 0.383 -2.875) 2.974 4.515 ( -6.359 6.175 -0.060) 8.864 4.639 ( -4.514 -7.126 1.286) 8.533 4.828 ( -3.039 6.792 -0.972) 7.504 4.922 ( -1.109 -2.613 -1.167) 3.069 5.454 ( 2.167 6.607 -2.861) 7.519 5.548 ( 2.613 -2.775 0.150) 3.814 5.892 ( 2.777 -0.344 -6.408) 6.992 5.944 ( 3.029 -4.054 -4.087) 6.505 6.397 ( 0.153 8.584 4.043) 9.489 6.495 ( -1.962 0.769 4.064) 4.578 6.619 ( -3.371 -1.552 -0.637) 3.766 6.679 ( -1.097 -5.483 2.613) 6.172 7.556 ( 1.221 3.056 2.021) 3.862 7.663 ( 2.954 -7.733 2.826) 8.747 7.676 ( 1.651 1.154 1.951) 2.804 7.723 ( 1.208 -3.697 2.551) 4.651 7.950 ( 0.239 2.832 1.228) 3.096 8.006 ( -0.572 -3.016 0.970) 3.219 8.214 ( 0.590 -0.263 0.127) 0.659 8.219 ( 1.342 -0.788 0.169) 1.566 8.549 ( 1.037 1.995 3.450) 4.118 8.581 ( 0.632 -1.298 2.683) 3.047 8.742 ( 2.076 3.487 0.965) 4.171 8.799 ( 3.456 -2.245 0.219) 4.127 9.353 ( -0.641 0.547 -0.767) 1.140 9.371 ( -0.328 -0.576 -0.223) 0.699 9.540 ( -2.201 -0.838 -3.101) 3.893 9.564 ( -0.437 -2.867 -3.302) 4.394 10.844 ( 1.175 1.378 0.738) 1.955 10.865 ( 1.469 -0.870 1.729) 2.430 11.086 ( 1.681 3.314 2.704) 4.596 11.159 ( 2.798 -4.057 -1.137) 5.058 11.366 ( -1.480 2.530 1.696) 3.386 11.415 ( -2.012 -2.575 0.120) 3.270 11.589 ( 0.785 2.635 0.035) 2.750 11.636 ( 1.004 -2.245 -0.107) 2.462 12.468 ( -4.106 3.901 1.094) 5.769 12.527 ( -1.588 -2.116 2.404) 3.575 12.956 ( 4.002 0.378 1.546) 4.306 12.966 ( 2.632 -0.658 1.033) 2.903 13.679 ( -1.145 7.218 -1.862) 7.542 13.828 ( -1.967 -8.559 -4.245) 9.754 14.278 ( -2.596 1.982 -5.507) 6.402 14.318 ( -2.214 -2.186 -5.633) 6.435 21.480 ( -0.968 1.019 2.747) 3.086 21.512 ( -0.708 -2.350 2.756) 3.690 21.678 ( 1.012 2.817 2.298) 3.773 21.731 ( 2.194 -2.735 2.213) 4.146 23.356 ( 0.663 3.032 -0.705) 3.182 23.403 ( -0.586 -1.857 -2.196) 2.935 23.657 ( -0.672 0.305 0.633) 0.973 23.671 ( -1.702 -1.084 0.561) 2.095 23.815 ( -1.608 1.792 0.714) 2.512 23.840 ( -2.098 -0.823 0.204) 2.263 24.159 ( 4.150 2.580 0.066) 4.887 24.193 ( 6.707 -0.917 0.731) 6.809 24.706 ( 0.254 0.443 -2.856) 2.902 24.717 ( 0.101 -0.638 -3.249) 3.313 24.917 ( -0.771 2.616 3.299) 4.281 24.961 ( -0.857 -1.804 4.034) 4.501 25.810 ( 2.480 0.874 1.489) 3.022 25.837 ( 2.193 -2.090 1.895) 3.573 26.512 ( -2.074 7.311 -5.199) 9.208 26.646 ( -2.426 -6.886 -6.776) 9.961 27.609 ( 0.530 0.611 -1.193) 1.441 27.619 ( 0.135 -0.560 -1.224) 1.353 27.740 ( -0.436 1.396 0.399) 1.516 27.760 ( -0.277 -0.643 0.252) 0.744 29.406 ( -0.493 2.582 1.647) 3.102 29.455 ( -0.341 -2.516 0.709) 2.636 30.270 ( -0.102 4.648 -0.968) 4.749 30.358 ( -0.017 -4.640 -1.682) 4.936 47.685 ( 2.114 0.608 0.258) 2.214 47.692 ( 2.071 -0.109 0.146) 2.079 48.047 ( -1.152 1.160 0.283) 1.659 48.065 ( -1.403 -0.790 -0.140) 1.616 88.792 ( -0.407 3.691 -1.071) 3.865 88.868 ( 0.180 -3.969 -2.339) 4.611 89.255 ( -0.612 8.292 0.577) 8.334 89.466 ( -2.651 -13.988 -3.686) 14.707 90.554 ( -5.564 2.944 2.350) 6.719 90.575 ( -5.106 0.817 2.149) 5.600 91.416 ( 7.930 9.891 -4.169) 13.345 91.532 ( 12.278 -1.874 -5.503) 13.584 ======================= Grid point 93 (51/116) ======================= q-point: (-0.25 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -6.660 12.246 -0.244) 13.942 1.371 ( 1.808 2.676 4.639) 5.652 1.441 ( -10.448 10.754 -7.335) 16.692 1.512 ( 2.784 -1.544 -2.807) 4.244 1.609 ( 6.046 -9.288 4.378) 11.916 1.688 ( -6.399 -11.166 -4.903) 13.772 2.054 ( 1.373 7.170 -3.543) 8.114 2.159 ( 2.526 -3.240 -4.816) 6.330 2.320 ( -0.869 11.292 -7.407) 13.533 2.497 ( 3.866 -1.783 -7.543) 8.662 2.541 ( -0.906 -1.542 9.636) 9.800 2.581 ( 3.907 -2.972 8.548) 9.857 2.629 ( -1.637 4.080 0.508) 4.425 2.700 ( 0.766 -4.327 1.226) 4.562 3.004 ( -0.385 4.280 -0.538) 4.331 3.088 ( -0.398 -4.117 0.600) 4.179 3.347 ( 2.198 6.346 -1.143) 6.812 3.420 ( 3.206 -1.646 1.616) 3.950 3.656 ( 3.420 3.173 5.172) 6.965 3.709 ( 2.072 -1.575 1.840) 3.188 3.859 ( -2.938 -0.278 0.176) 2.956 3.884 ( -1.289 -3.253 -2.749) 4.450 4.140 ( -1.347 4.937 -2.371) 5.640 4.214 ( 0.701 -2.021 -3.450) 4.059 4.394 ( -9.171 3.737 2.029) 10.109 4.490 ( -12.512 -5.803 1.116) 13.837 4.813 ( 0.042 1.079 -0.067) 1.082 4.868 ( -3.394 -3.976 -1.853) 5.546 5.487 ( 5.607 10.078 -2.643) 11.832 5.607 ( 3.976 -0.383 0.188) 3.999 5.900 ( 5.450 -1.215 -5.407) 7.772 5.974 ( 4.427 -6.143 -2.430) 7.952 6.376 ( -6.172 6.001 -0.482) 8.622 6.461 ( -4.907 2.238 2.399) 5.903 6.532 ( -4.991 5.244 0.647) 7.268 6.739 ( 2.305 -11.036 3.764) 11.886 7.588 ( 0.497 5.173 1.317) 5.361 7.710 ( 1.280 1.049 -0.196) 1.666 7.731 ( 2.041 -7.092 1.807) 7.597 7.750 ( -0.108 -4.727 1.362) 4.920 7.971 ( 0.410 1.682 1.484) 2.280 8.019 ( -0.015 -3.341 2.416) 4.123 8.227 ( 1.517 0.661 -0.805) 1.840 8.251 ( 2.310 -1.795 -0.158) 2.930 8.592 ( 0.597 1.741 1.792) 2.569 8.612 ( 0.499 -0.351 1.628) 1.738 8.772 ( 0.518 5.341 0.679) 5.409 8.862 ( 3.244 -3.366 0.657) 4.721 9.336 ( -0.629 2.112 0.286) 2.222 9.376 ( 0.904 1.213 -0.596) 1.626 9.484 ( -1.072 -2.628 -1.937) 3.436 9.522 ( -0.762 -4.968 -2.688) 5.699 10.866 ( 0.991 2.111 -0.252) 2.345 10.904 ( 1.546 -1.934 0.547) 2.535 11.140 ( 1.693 2.119 2.385) 3.612 11.190 ( 2.036 -2.974 -0.749) 3.681 11.354 ( -1.553 1.818 0.957) 2.576 11.383 ( -1.561 -1.253 -0.175) 2.009 11.617 ( 1.752 2.506 1.073) 3.240 11.654 ( 1.172 -1.302 -0.313) 1.780 12.421 ( -3.447 6.145 2.034) 7.333 12.526 ( -1.718 -4.811 2.823) 5.837 13.008 ( 2.522 1.757 -0.184) 3.079 13.039 ( 3.346 -1.525 1.202) 3.868 13.636 ( -1.953 4.118 -1.383) 4.763 13.731 ( -4.044 -6.151 -5.197) 9.010 14.199 ( -0.928 2.732 -3.331) 4.407 14.246 ( -0.617 -2.132 -3.514) 4.156 21.488 ( -1.017 1.203 2.041) 2.578 21.519 ( -1.548 -2.245 2.294) 3.564 21.702 ( -0.458 3.470 1.283) 3.728 21.768 ( 0.209 -3.402 1.009) 3.554 23.363 ( 1.126 2.234 -1.110) 2.737 23.390 ( 1.690 -0.786 -1.348) 2.300 23.635 ( -2.202 0.162 0.577) 2.283 23.651 ( -1.772 -1.487 0.534) 2.374 23.787 ( -2.156 1.812 0.360) 2.839 23.815 ( -1.807 -1.081 0.967) 2.317 24.233 ( 4.586 4.656 -0.652) 6.568 24.307 ( 6.626 -3.068 -1.222) 7.404 24.689 ( 0.281 0.100 -1.460) 1.490 24.692 ( 0.185 -0.224 -1.970) 1.992 24.977 ( 2.944 2.822 5.162) 6.579 25.014 ( 2.481 -0.872 4.453) 5.172 25.870 ( 3.155 0.842 1.175) 3.470 25.893 ( 2.749 -1.581 1.171) 3.381 26.415 ( -3.537 5.495 -4.804) 8.110 26.521 ( -4.301 -5.923 -6.768) 9.969 27.604 ( 0.142 0.528 -1.174) 1.295 27.614 ( 0.670 -0.417 -0.952) 1.237 27.737 ( -0.472 1.218 0.459) 1.384 27.756 ( -0.528 -0.711 0.211) 0.910 29.424 ( 0.106 2.009 2.623) 3.306 29.464 ( 0.358 -2.130 1.159) 2.451 30.260 ( -0.055 4.034 -0.734) 4.101 30.342 ( 0.104 -4.566 -1.636) 4.851 47.735 ( 3.614 0.615 0.234) 3.673 47.743 ( 3.939 -0.159 0.145) 3.945 48.020 ( -2.461 0.573 0.112) 2.529 48.028 ( -2.780 -0.338 -0.390) 2.828 88.801 ( 2.193 3.830 0.604) 4.454 88.873 ( 2.795 -3.352 -1.330) 4.563 89.223 ( -3.858 4.102 0.121) 5.632 89.352 ( -5.912 -9.322 -4.806) 12.040 90.477 ( -5.829 2.653 1.776) 6.646 90.498 ( -5.988 0.581 1.570) 6.218 91.527 ( 9.897 13.162 -3.985) 16.943 91.709 ( 15.625 -5.359 -6.288) 17.675 ======================= Grid point 94 (52/116) ======================= q-point: (-0.12 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -4.789 16.654 -0.868) 17.351 1.284 ( -2.837 13.412 -0.791) 13.732 1.379 ( -1.173 -7.038 3.086) 7.774 1.548 ( -0.703 -9.946 -1.016) 10.022 1.642 ( 4.114 0.393 2.857) 5.024 1.739 ( 2.170 -7.423 2.957) 8.280 2.011 ( -0.993 13.151 1.674) 13.294 2.168 ( 1.095 -3.932 1.312) 4.287 2.293 ( 2.034 8.525 -3.039) 9.276 2.445 ( -2.892 -5.779 -2.676) 6.995 2.565 ( -1.319 0.686 1.099) 1.849 2.586 ( -1.836 -0.433 2.471) 3.108 2.800 ( 5.784 1.265 4.364) 7.356 2.817 ( 7.032 -0.850 5.281) 8.835 2.986 ( -0.915 4.594 -0.021) 4.684 3.073 ( -1.446 -3.733 0.755) 4.074 3.390 ( 3.794 7.393 -1.505) 8.445 3.506 ( 4.631 -4.914 0.434) 6.766 3.638 ( -3.350 4.977 -7.031) 9.243 3.707 ( -1.115 -0.692 -3.172) 3.433 3.825 ( -2.656 0.678 3.465) 4.418 3.879 ( 2.221 -3.037 1.225) 3.957 4.095 ( -3.604 -0.230 -1.515) 3.916 4.155 ( -2.410 -4.065 -4.720) 6.679 4.303 ( -5.097 1.848 4.883) 7.296 4.360 ( -4.764 -4.578 3.312) 7.391 4.787 ( -1.989 -0.227 -2.244) 3.007 4.802 ( -1.539 -2.148 -2.234) 3.460 5.574 ( 6.300 10.126 -0.798) 11.953 5.667 ( 2.735 2.526 0.640) 3.777 5.960 ( 7.427 -0.700 -3.981) 8.456 6.040 ( 6.427 -6.599 -2.032) 9.433 6.239 ( -8.206 4.491 -1.457) 9.467 6.343 ( -7.919 -5.731 -1.675) 9.917 6.509 ( -2.602 16.051 3.809) 16.701 6.790 ( 0.285 -12.981 1.765) 13.103 7.595 ( -0.381 6.063 -0.096) 6.076 7.717 ( 0.701 1.272 -1.210) 1.890 7.744 ( -0.688 -2.599 -0.173) 2.694 7.768 ( 0.724 -10.614 0.358) 10.645 7.983 ( -0.431 1.770 0.756) 1.972 8.035 ( -1.379 -3.541 2.351) 4.468 8.243 ( 2.134 1.416 -2.283) 3.431 8.279 ( 1.954 -2.359 -1.800) 3.553 8.596 ( -0.265 2.043 -1.559) 2.583 8.619 ( -0.363 -0.411 -0.911) 1.064 8.771 ( -0.531 6.627 -1.014) 6.725 8.894 ( 0.998 -5.486 -1.981) 5.918 9.342 ( 0.244 4.822 1.614) 5.091 9.388 ( 0.402 3.908 1.749) 4.300 9.479 ( 1.151 -4.852 0.626) 5.026 9.502 ( 0.042 -7.478 -0.110) 7.479 10.862 ( 0.240 2.565 -2.902) 3.880 10.910 ( 0.378 -2.538 -3.106) 4.029 11.189 ( 1.091 1.427 3.160) 3.635 11.222 ( 1.436 -2.023 2.640) 3.622 11.341 ( -0.797 1.490 0.471) 1.754 11.363 ( -0.695 -0.873 -0.312) 1.158 11.652 ( 1.150 0.953 0.379) 1.541 11.661 ( 0.334 -0.088 -0.931) 0.993 12.389 ( -2.675 6.925 0.784) 7.465 12.514 ( -2.113 -6.349 0.422) 6.704 13.036 ( 1.785 2.767 -1.140) 3.485 13.085 ( 1.432 -2.397 0.143) 2.796 13.608 ( -0.328 1.045 0.433) 1.178 13.634 ( -2.198 -1.735 -1.245) 3.064 14.196 ( 1.185 2.634 1.884) 3.448 14.238 ( 1.134 -1.769 0.980) 2.318 21.480 ( -1.306 0.982 -0.214) 1.648 21.501 ( -2.298 -1.400 0.149) 2.695 21.692 ( -1.121 3.614 -0.003) 3.784 21.762 ( -0.973 -3.771 -0.239) 3.901 23.377 ( 1.765 3.292 -0.452) 3.763 23.427 ( 3.502 -1.820 -0.424) 3.969 23.603 ( -2.952 0.893 1.164) 3.297 23.629 ( -1.538 -1.839 1.014) 2.603 23.763 ( -1.213 1.741 0.627) 2.213 23.794 ( -1.700 -1.442 0.727) 2.344 24.275 ( 2.544 5.225 -3.062) 6.568 24.364 ( 3.694 -4.149 -4.293) 7.020 24.687 ( 0.662 0.148 -0.107) 0.687 24.691 ( 0.806 -0.196 -0.193) 0.852 25.059 ( 0.945 3.611 2.870) 4.708 25.120 ( 2.725 -2.803 5.040) 6.379 25.930 ( 3.149 0.778 0.145) 3.247 25.947 ( 3.007 -1.098 -0.075) 3.202 26.331 ( -1.766 4.081 -1.365) 4.652 26.405 ( -3.191 -3.793 -2.144) 5.401 27.597 ( 0.203 1.503 -0.383) 1.564 27.621 ( 0.862 -0.896 -0.239) 1.266 27.735 ( -0.301 0.838 0.421) 0.985 27.748 ( -0.541 -0.556 0.173) 0.795 29.456 ( -0.328 1.062 3.946) 4.100 29.486 ( 0.201 -1.820 2.041) 2.741 30.255 ( 0.124 3.480 -0.459) 3.512 30.332 ( 0.518 -4.603 -1.363) 4.828 47.801 ( 4.157 0.827 0.011) 4.239 47.816 ( 4.687 -0.692 -0.056) 4.738 47.967 ( -3.694 0.253 -0.741) 3.776 47.971 ( -3.465 -0.195 -0.658) 3.532 88.872 ( 3.943 3.742 2.008) 5.795 88.932 ( 5.119 -1.804 0.083) 5.428 89.136 ( -5.862 0.984 -0.622) 5.976 89.213 ( -5.071 -6.253 -2.873) 8.548 90.413 ( -3.653 2.113 1.303) 4.417 90.428 ( -4.015 0.600 1.215) 4.237 91.633 ( 7.454 15.832 -4.220) 18.000 91.878 ( 12.726 -9.552 -8.081) 17.846 ======================= Grid point 119 (53/116) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 3.082 0.000 18.470) 18.725 0.933 ( 3.758 0.000 20.345) 20.690 1.487 ( 16.222 0.000 19.301) 25.213 1.578 ( -3.756 0.000 -8.534) 9.324 1.746 ( 10.115 0.000 2.594) 10.443 1.821 ( 2.218 0.000 10.875) 11.099 2.083 ( -6.926 0.000 8.711) 11.129 2.088 ( -10.577 0.000 -11.078) 15.316 2.274 ( 9.616 0.000 1.429) 9.722 2.398 ( -2.177 0.000 1.155) 2.464 2.409 ( 9.993 0.000 7.513) 12.502 2.689 ( 3.576 0.000 -2.501) 4.364 2.784 ( -5.634 0.000 -0.755) 5.685 2.875 ( -5.920 0.000 -2.984) 6.629 3.086 ( 1.828 0.000 0.516) 1.900 3.135 ( -2.250 0.000 -3.548) 4.201 3.385 ( -0.478 0.000 4.346) 4.372 3.438 ( 1.721 0.000 2.358) 2.919 3.638 ( -1.142 0.000 -0.571) 1.277 3.723 ( -2.160 0.000 -0.027) 2.161 3.787 ( -3.189 0.000 -1.978) 3.752 3.866 ( 1.719 0.000 2.365) 2.924 3.899 ( -4.261 0.000 -0.333) 4.274 4.099 ( 3.181 0.000 -4.372) 5.407 4.363 ( 6.260 0.000 4.574) 7.753 4.601 ( 8.306 0.000 -7.539) 11.217 4.657 ( 1.750 0.000 -6.781) 7.004 4.848 ( -12.955 0.000 -5.848) 14.214 5.386 ( 1.276 0.000 9.069) 9.158 5.529 ( 5.115 0.000 3.927) 6.448 5.560 ( -6.349 0.000 3.128) 7.078 5.771 ( -4.197 0.000 1.831) 4.579 6.284 ( -1.396 0.000 -2.655) 3.000 6.390 ( 7.117 0.000 -3.541) 7.949 6.591 ( 3.553 0.000 1.707) 3.942 6.917 ( -3.451 0.000 -6.664) 7.505 7.599 ( -0.121 0.000 2.523) 2.526 7.735 ( 2.252 0.000 -0.418) 2.291 7.770 ( -0.755 0.000 -1.158) 1.382 7.889 ( -3.456 0.000 -2.197) 4.095 7.947 ( -1.853 0.000 -9.357) 9.539 8.130 ( 4.075 0.000 -5.668) 6.981 8.217 ( -3.857 0.000 -0.024) 3.857 8.303 ( -2.236 0.000 -3.741) 4.358 8.465 ( -2.332 0.000 0.043) 2.333 8.538 ( -0.613 0.000 -0.076) 0.618 8.758 ( 2.393 0.000 2.392) 3.384 8.874 ( -2.128 0.000 -2.540) 3.314 9.292 ( -3.504 0.000 4.497) 5.701 9.534 ( 2.567 0.000 -2.760) 3.770 9.668 ( 0.039 0.000 2.723) 2.723 9.818 ( 1.487 0.000 -1.590) 2.177 10.709 ( -1.312 0.000 -0.243) 1.334 10.767 ( -4.346 0.000 -2.309) 4.922 11.101 ( -5.087 0.000 -0.440) 5.106 11.254 ( 2.893 0.000 -4.455) 5.312 11.317 ( -2.417 0.000 5.890) 6.366 11.558 ( 2.008 0.000 1.347) 2.418 11.594 ( -0.657 0.000 2.323) 2.414 11.620 ( 0.641 0.000 -0.836) 1.054 12.198 ( 0.939 0.000 4.256) 4.359 12.530 ( -3.991 0.000 -6.516) 7.641 12.897 ( 4.366 0.000 3.254) 5.445 13.113 ( -3.251 0.000 -3.079) 4.478 13.677 ( -5.403 0.000 7.448) 9.201 14.121 ( 22.304 0.000 -5.319) 22.929 14.239 ( 0.122 0.000 5.704) 5.705 14.358 ( 4.174 0.000 2.124) 4.684 21.377 ( 0.448 0.000 -0.818) 0.933 21.432 ( -5.121 0.000 -2.451) 5.677 21.625 ( 0.898 0.000 2.523) 2.678 21.826 ( -0.482 0.000 -3.071) 3.109 23.247 ( -0.903 0.000 0.807) 1.211 23.312 ( 0.683 0.000 -1.337) 1.501 23.598 ( 2.662 0.000 2.144) 3.418 23.807 ( 3.043 0.000 3.363) 4.535 23.810 ( 0.771 0.000 3.442) 3.527 23.854 ( -5.297 0.000 -4.832) 7.170 23.990 ( -0.273 0.000 0.630) 0.687 24.207 ( 3.046 0.000 -4.638) 5.549 24.693 ( 0.978 0.000 0.617) 1.156 24.741 ( 1.414 0.000 -0.611) 1.540 25.035 ( 0.974 0.000 7.253) 7.318 25.493 ( -14.824 0.000 -4.960) 15.632 25.914 ( 3.744 0.000 -2.232) 4.359 25.922 ( -1.330 0.000 -0.848) 1.577 26.185 ( -5.941 0.000 4.294) 7.330 26.376 ( 18.548 0.000 -0.793) 18.565 27.539 ( 0.141 0.000 1.657) 1.663 27.637 ( 0.297 0.000 -0.434) 0.526 27.728 ( -0.295 0.000 0.767) 0.822 27.741 ( 0.108 0.000 -0.400) 0.414 29.642 ( 1.378 0.000 4.299) 4.514 29.954 ( -5.980 0.000 -4.517) 7.494 30.248 ( -6.231 0.000 2.754) 6.813 30.465 ( 3.521 0.000 -3.428) 4.914 47.716 ( 2.154 0.000 1.880) 2.858 47.818 ( -3.374 0.000 -0.396) 3.397 47.913 ( -2.549 0.000 -0.472) 2.593 47.917 ( 4.212 0.000 -1.173) 4.372 88.749 ( -0.310 0.000 -0.357) 0.473 88.772 ( 1.895 0.000 -1.535) 2.439 89.633 ( -10.439 0.000 10.008) 14.461 90.180 ( 33.645 0.000 -5.670) 34.119 90.292 ( 1.607 0.000 0.287) 1.632 90.317 ( 0.982 0.000 -0.381) 1.054 90.798 ( -0.348 0.000 1.362) 1.406 90.974 ( 7.376 0.000 -3.599) 8.207 ======================= Grid point 120 (54/116) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 6.298 0.000 17.983) 19.054 1.153 ( -1.562 0.000 16.220) 16.295 1.454 ( 1.639 0.000 -8.913) 9.062 1.634 ( 0.413 0.000 -5.807) 5.821 1.798 ( -11.771 0.000 -9.982) 15.433 1.834 ( 3.365 0.000 1.144) 3.554 2.040 ( -5.167 0.000 4.505) 6.855 2.242 ( 10.995 0.000 20.000) 22.823 2.263 ( -13.149 0.000 -4.276) 13.827 2.523 ( 16.900 0.000 9.456) 19.366 2.586 ( -4.274 0.000 -0.274) 4.282 2.647 ( 9.355 0.000 1.667) 9.502 2.704 ( -3.653 0.000 -0.443) 3.679 2.887 ( 2.862 0.000 -9.747) 10.158 2.951 ( -6.477 0.000 -0.980) 6.551 3.142 ( 3.796 0.000 2.150) 4.363 3.407 ( -1.714 0.000 2.575) 3.094 3.502 ( -1.026 0.000 2.184) 2.413 3.635 ( 3.288 0.000 -0.538) 3.331 3.673 ( -4.844 0.000 5.233) 7.131 3.751 ( -0.574 0.000 -3.148) 3.200 3.855 ( -1.327 0.000 2.331) 2.682 3.917 ( 3.174 0.000 -0.672) 3.244 4.127 ( 4.994 0.000 -4.301) 6.591 4.515 ( 5.611 0.000 4.765) 7.362 4.537 ( -14.335 0.000 -9.203) 17.035 4.589 ( 0.331 0.000 -10.921) 10.926 4.702 ( 8.293 0.000 0.231) 8.296 5.466 ( -0.808 0.000 8.753) 8.790 5.531 ( 0.217 0.000 1.722) 1.735 5.687 ( 8.078 0.000 2.097) 8.346 5.719 ( -3.901 0.000 1.026) 4.034 6.216 ( -2.873 0.000 -3.013) 4.163 6.452 ( 4.429 0.000 -3.168) 5.445 6.665 ( 1.899 0.000 3.273) 3.784 6.787 ( -4.145 0.000 -6.934) 8.078 7.642 ( 1.493 0.000 4.163) 4.423 7.744 ( 0.080 0.000 -2.140) 2.141 7.767 ( 2.832 0.000 -3.558) 4.547 7.811 ( -4.543 0.000 1.735) 4.863 7.836 ( -1.295 0.000 -7.853) 7.959 8.138 ( 2.690 0.000 -4.947) 5.632 8.159 ( -3.418 0.000 0.718) 3.493 8.264 ( 0.093 0.000 -1.080) 1.084 8.463 ( 1.333 0.000 1.705) 2.164 8.522 ( -0.904 0.000 0.374) 0.979 8.809 ( 0.935 0.000 1.921) 2.136 8.812 ( -2.554 0.000 -2.368) 3.482 9.283 ( -2.273 0.000 4.119) 4.705 9.553 ( 2.874 0.000 -2.608) 3.881 9.676 ( -1.672 0.000 2.089) 2.676 9.806 ( -0.883 0.000 -2.048) 2.230 10.694 ( -0.516 0.000 0.404) 0.655 10.717 ( -0.882 0.000 0.223) 0.910 11.045 ( -1.892 0.000 0.258) 1.909 11.264 ( 3.007 0.000 -3.303) 4.467 11.317 ( -4.193 0.000 5.509) 6.923 11.599 ( -0.397 0.000 1.345) 1.402 11.616 ( 2.478 0.000 -2.166) 3.291 11.627 ( 1.053 0.000 1.839) 2.119 12.281 ( 3.758 0.000 5.384) 6.566 12.431 ( -1.108 0.000 -5.097) 5.216 12.985 ( 2.548 0.000 3.180) 4.075 13.007 ( -5.642 0.000 -3.823) 6.816 13.634 ( -7.380 0.000 4.943) 8.882 14.268 ( 7.285 0.000 -8.351) 11.082 14.280 ( -0.897 0.000 3.777) 3.882 14.445 ( 4.758 0.000 -1.682) 5.047 21.380 ( 0.528 0.000 -1.907) 1.979 21.407 ( 3.463 0.000 0.922) 3.583 21.660 ( 0.038 0.000 2.942) 2.942 21.773 ( -2.023 0.000 -3.738) 4.250 23.242 ( -0.604 0.000 0.694) 0.920 23.317 ( 1.442 0.000 -1.116) 1.824 23.690 ( 4.541 0.000 3.910) 5.992 23.716 ( -5.243 0.000 -4.568) 6.954 23.826 ( -2.058 0.000 1.312) 2.441 23.880 ( 2.104 0.000 2.108) 2.978 24.001 ( 0.274 0.000 2.018) 2.037 24.165 ( -0.920 0.000 -5.894) 5.965 24.712 ( 0.815 0.000 0.000) 0.815 24.746 ( 0.960 0.000 -1.908) 2.136 25.137 ( 0.614 0.000 9.927) 9.946 25.232 ( -12.811 0.000 -0.754) 12.833 25.875 ( -2.701 0.000 -1.526) 3.102 25.956 ( 3.223 0.000 -0.971) 3.366 26.128 ( -4.745 0.000 1.861) 5.097 26.607 ( 13.719 0.000 -5.709) 14.859 27.567 ( 1.154 0.000 1.401) 1.815 27.625 ( -0.743 0.000 -1.114) 1.339 27.725 ( -0.825 0.000 0.372) 0.905 27.742 ( 0.146 0.000 0.105) 0.180 29.689 ( -1.382 0.000 4.688) 4.887 29.746 ( -13.540 0.000 -0.186) 13.541 30.209 ( -2.906 0.000 2.001) 3.528 30.488 ( 2.920 0.000 -2.549) 3.876 47.744 ( -3.985 0.000 -1.166) 4.152 47.756 ( -0.687 0.000 2.594) 2.684 47.883 ( 0.524 0.000 -1.176) 1.287 47.986 ( 4.557 0.000 -0.509) 4.585 88.743 ( 0.078 0.000 -0.730) 0.734 88.790 ( 1.973 0.000 -1.326) 2.377 89.524 ( -12.126 0.000 5.784) 13.435 90.280 ( -0.241 0.000 -0.312) 0.394 90.340 ( 3.601 0.000 0.673) 3.663 90.519 ( 16.354 0.000 -10.802) 19.600 90.790 ( -2.361 0.000 1.180) 2.639 91.019 ( 4.694 0.000 -8.691) 9.878 ======================= Grid point 121 (55/116) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -11.000 0.000 1.602) 11.116 1.416 ( 4.540 0.000 17.985) 18.550 1.499 ( -0.312 0.000 -6.925) 6.933 1.554 ( -1.342 0.000 -0.993) 1.669 1.556 ( 0.244 0.000 -9.475) 9.478 1.790 ( -9.003 0.000 2.442) 9.329 1.979 ( -11.248 0.000 -5.860) 12.683 2.039 ( 3.573 0.000 -4.157) 5.482 2.467 ( 1.795 0.000 8.881) 9.061 2.511 ( -5.932 0.000 -0.922) 6.003 2.640 ( -2.067 0.000 -15.201) 15.340 2.643 ( -1.952 0.000 -1.657) 2.560 2.834 ( 6.409 0.000 0.148) 6.410 2.852 ( 9.093 0.000 4.932) 10.345 3.013 ( 3.225 0.000 2.936) 4.361 3.235 ( 0.909 0.000 -0.425) 1.003 3.386 ( -1.075 0.000 3.112) 3.293 3.460 ( -2.842 0.000 -0.142) 2.845 3.671 ( -0.602 0.000 -1.215) 1.356 3.681 ( 2.824 0.000 -3.542) 4.530 3.742 ( -0.638 0.000 8.107) 8.132 3.847 ( -4.063 0.000 2.386) 4.712 3.973 ( 4.229 0.000 -0.086) 4.230 4.168 ( 5.485 0.000 -4.831) 7.309 4.265 ( -6.221 0.000 -9.124) 11.043 4.503 ( 1.990 0.000 -6.258) 6.567 4.621 ( 2.019 0.000 3.543) 4.078 4.811 ( 0.628 0.000 3.669) 3.722 5.536 ( -1.043 0.000 8.301) 8.366 5.601 ( 6.883 0.000 -1.253) 6.996 5.688 ( -0.598 0.000 3.689) 3.737 5.816 ( 5.859 0.000 1.580) 6.068 6.147 ( -2.417 0.000 -1.856) 3.047 6.488 ( 2.987 0.000 -0.718) 3.072 6.657 ( -2.790 0.000 -7.638) 8.131 6.702 ( -1.476 0.000 3.429) 3.733 7.706 ( -1.109 0.000 1.153) 1.599 7.727 ( 0.113 0.000 -2.859) 2.861 7.734 ( -1.075 0.000 4.648) 4.771 7.770 ( 1.445 0.000 -4.121) 4.367 7.823 ( 2.885 0.000 -0.375) 2.909 8.121 ( 1.338 0.000 -4.446) 4.643 8.131 ( -2.003 0.000 3.072) 3.667 8.272 ( 0.509 0.000 1.028) 1.147 8.527 ( 0.026 0.000 1.970) 1.970 8.531 ( 3.789 0.000 2.550) 4.567 8.751 ( -1.876 0.000 -2.341) 3.000 8.818 ( -1.702 0.000 1.051) 2.000 9.299 ( -0.522 0.000 3.245) 3.287 9.572 ( 2.720 0.000 -3.046) 4.084 9.662 ( -1.895 0.000 1.159) 2.221 9.755 ( -2.238 0.000 -2.477) 3.338 10.701 ( 0.079 0.000 1.947) 1.948 10.731 ( 1.327 0.000 1.446) 1.962 11.037 ( -0.203 0.000 1.128) 1.147 11.282 ( 2.178 0.000 -2.068) 3.003 11.296 ( -4.496 0.000 4.958) 6.693 11.573 ( -0.358 0.000 -3.147) 3.167 11.644 ( -0.204 0.000 0.047) 0.209 11.657 ( 2.036 0.000 0.476) 2.091 12.391 ( 1.288 0.000 -3.882) 4.090 12.419 ( 5.735 0.000 6.011) 8.308 12.864 ( -6.832 0.000 -3.737) 7.787 13.041 ( 0.751 0.000 2.917) 3.012 13.543 ( -7.311 0.000 1.776) 7.523 14.262 ( 3.290 0.000 -9.045) 9.625 14.280 ( -2.010 0.000 1.142) 2.312 14.465 ( 1.369 0.000 -3.778) 4.018 21.395 ( 2.713 0.000 -0.913) 2.863 21.507 ( 5.915 0.000 3.313) 6.780 21.684 ( -0.575 0.000 3.175) 3.226 21.692 ( -3.169 0.000 -3.711) 4.880 23.241 ( -0.433 0.000 0.786) 0.897 23.335 ( 1.938 0.000 -1.021) 2.190 23.616 ( -2.485 0.000 -2.226) 3.336 23.777 ( -3.749 0.000 -0.795) 3.832 23.803 ( 3.699 0.000 4.113) 5.532 23.900 ( -0.134 0.000 -1.051) 1.059 24.030 ( 0.262 0.000 2.306) 2.321 24.093 ( -1.377 0.000 -3.964) 4.197 24.717 ( 0.245 0.000 -0.624) 0.671 24.740 ( 0.958 0.000 -2.538) 2.713 25.059 ( -8.537 0.000 0.059) 8.537 25.217 ( -3.308 0.000 9.375) 9.942 25.818 ( -2.278 0.000 -1.325) 2.635 25.993 ( 2.247 0.000 -0.728) 2.362 26.083 ( -1.642 0.000 0.987) 1.916 26.728 ( 9.332 0.000 -6.958) 11.640 27.595 ( 0.967 0.000 0.615) 1.146 27.596 ( -1.043 0.000 -1.443) 1.780 27.711 ( -1.031 0.000 0.370) 1.095 27.747 ( 0.143 0.000 0.438) 0.461 29.554 ( -10.736 0.000 1.696) 10.869 29.682 ( -4.201 0.000 3.216) 5.291 30.176 ( -3.203 0.000 1.587) 3.575 30.506 ( 1.783 0.000 -1.890) 2.599 47.677 ( -2.761 0.000 -1.041) 2.951 47.736 ( -3.190 0.000 0.917) 3.320 47.913 ( 2.947 0.000 0.334) 2.966 48.047 ( 3.446 0.000 -0.522) 3.485 88.736 ( 0.188 0.000 -1.081) 1.098 88.810 ( 1.931 0.000 -1.078) 2.211 89.374 ( -9.937 0.000 1.756) 10.091 90.280 ( 0.469 0.000 -0.082) 0.476 90.417 ( 4.904 0.000 0.685) 4.952 90.609 ( 8.816 0.000 -10.114) 13.417 90.743 ( -4.398 0.000 0.480) 4.424 90.958 ( -0.153 0.000 -10.593) 10.594 ======================= Grid point 122 (56/116) ======================= q-point: (-0.62 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -11.141 0.000 -0.518) 11.153 1.307 ( -2.759 0.000 -10.448) 10.806 1.426 ( -11.258 0.000 2.018) 11.437 1.572 ( 1.219 0.000 -4.700) 4.856 1.671 ( 6.994 0.000 1.791) 7.220 1.731 ( -0.237 0.000 9.594) 9.597 1.875 ( -0.142 0.000 2.402) 2.406 2.044 ( 4.112 0.000 -7.486) 8.541 2.340 ( -6.637 0.000 -8.231) 10.573 2.427 ( -7.238 0.000 -6.113) 9.474 2.527 ( 2.039 0.000 -11.478) 11.657 2.673 ( 0.833 0.000 7.173) 7.221 2.905 ( 1.896 0.000 -0.097) 1.898 2.945 ( 0.886 0.000 0.762) 1.169 3.068 ( -10.692 0.000 -13.129) 16.933 3.093 ( 4.239 0.000 1.871) 4.634 3.393 ( -1.821 0.000 0.431) 1.871 3.439 ( -0.439 0.000 0.944) 1.041 3.630 ( -4.753 0.000 -1.007) 4.858 3.659 ( 0.636 0.000 -5.751) 5.786 3.715 ( -2.333 0.000 1.475) 2.760 3.927 ( -0.834 0.000 11.484) 11.514 4.034 ( 3.320 0.000 -0.726) 3.398 4.155 ( 1.613 0.000 -5.583) 5.811 4.205 ( 4.633 0.000 -5.012) 6.825 4.604 ( 12.521 0.000 1.883) 12.662 4.608 ( -6.757 0.000 -0.244) 6.761 4.796 ( -3.278 0.000 1.012) 3.431 5.588 ( -2.372 0.000 8.218) 8.553 5.677 ( 2.647 0.000 3.798) 4.630 5.824 ( 10.233 0.000 2.753) 10.597 5.909 ( 2.890 0.000 2.405) 3.760 6.104 ( -2.212 0.000 0.408) 2.249 6.507 ( -2.418 0.000 -2.406) 3.411 6.600 ( 6.920 0.000 -3.971) 7.978 6.684 ( -4.090 0.000 2.655) 4.876 7.648 ( -4.890 0.000 0.790) 4.954 7.695 ( 0.270 0.000 -3.335) 3.346 7.802 ( 1.283 0.000 4.760) 4.930 7.804 ( 4.501 0.000 0.089) 4.502 7.887 ( 4.035 0.000 1.507) 4.307 8.108 ( 2.110 0.000 -3.717) 4.274 8.156 ( -0.486 0.000 5.806) 5.826 8.294 ( -0.140 0.000 3.049) 3.052 8.552 ( -0.189 0.000 2.739) 2.746 8.613 ( 3.314 0.000 1.460) 3.621 8.715 ( 0.305 0.000 -2.149) 2.170 8.774 ( -4.518 0.000 0.511) 4.547 9.320 ( -0.558 0.000 2.384) 2.448 9.580 ( 2.609 0.000 -4.084) 4.846 9.637 ( -1.988 0.000 0.197) 1.997 9.699 ( -1.413 0.000 -2.238) 2.647 10.736 ( 0.575 0.000 3.731) 3.775 10.782 ( 2.478 0.000 2.337) 3.406 11.057 ( 0.804 0.000 1.885) 2.050 11.274 ( -4.014 0.000 5.019) 6.426 11.290 ( 1.186 0.000 -1.766) 2.127 11.532 ( -0.182 0.000 -4.256) 4.260 11.620 ( -1.790 0.000 -1.658) 2.440 11.675 ( 0.152 0.000 -0.811) 0.826 12.395 ( 3.137 0.000 -2.652) 4.107 12.513 ( -2.329 0.000 1.353) 2.693 12.778 ( 1.277 0.000 1.530) 1.993 13.066 ( -0.928 0.000 2.379) 2.554 13.462 ( -3.397 0.000 0.974) 3.533 14.212 ( 2.136 0.000 -9.897) 10.125 14.237 ( -3.195 0.000 -1.261) 3.435 14.423 ( -0.590 0.000 -6.210) 6.238 21.441 ( 3.174 0.000 0.100) 3.176 21.584 ( -2.680 0.000 -1.537) 3.089 21.672 ( 5.534 0.000 3.538) 6.568 21.711 ( -0.024 0.000 3.886) 3.887 23.244 ( -0.363 0.000 1.062) 1.122 23.355 ( 1.736 0.000 -1.089) 2.049 23.603 ( 1.733 0.000 0.884) 1.945 23.709 ( -2.885 0.000 -1.140) 3.102 23.815 ( -2.723 0.000 -2.128) 3.456 23.924 ( 1.718 0.000 1.820) 2.503 24.043 ( -0.558 0.000 -3.044) 3.095 24.045 ( -0.609 0.000 1.045) 1.210 24.710 ( -0.222 0.000 -0.815) 0.845 24.727 ( 0.751 0.000 -3.086) 3.176 24.947 ( -5.623 0.000 0.339) 5.633 25.194 ( -7.865 0.000 5.023) 9.332 25.784 ( -0.728 0.000 -0.292) 0.784 26.010 ( 1.124 0.000 -1.533) 1.901 26.110 ( 1.996 0.000 3.590) 4.108 26.781 ( 6.053 0.000 -7.845) 9.909 27.568 ( -0.599 0.000 -1.350) 1.477 27.608 ( 0.625 0.000 -0.530) 0.819 27.706 ( -0.270 0.000 1.026) 1.061 27.755 ( 0.124 0.000 0.577) 0.590 29.435 ( -6.629 0.000 2.841) 7.212 29.625 ( -4.926 0.000 1.006) 5.028 30.143 ( -2.708 0.000 1.837) 3.272 30.503 ( 0.412 0.000 -2.424) 2.459 47.638 ( -1.015 0.000 -0.705) 1.235 47.689 ( -2.667 0.000 -0.318) 2.685 47.964 ( 2.101 0.000 1.322) 2.482 48.085 ( 1.851 0.000 -0.709) 1.982 88.729 ( 0.339 0.000 -1.207) 1.254 88.826 ( 1.112 0.000 -1.231) 1.659 89.270 ( -3.590 0.000 1.237) 3.797 90.287 ( 0.650 0.000 -1.048) 1.233 90.507 ( 5.385 0.000 0.493) 5.408 90.628 ( 7.027 0.000 -12.467) 14.311 90.659 ( -6.000 0.000 -0.323) 6.009 90.824 ( -3.719 0.000 -9.188) 9.912 ======================= Grid point 123 (57/116) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -10.652 0.000 2.541) 10.951 1.206 ( -18.352 0.000 3.390) 18.663 1.290 ( 10.070 0.000 -4.604) 11.072 1.523 ( 3.360 0.000 -10.028) 10.576 1.810 ( 7.499 0.000 1.227) 7.599 1.820 ( -1.454 0.000 5.292) 5.488 1.951 ( 3.915 0.000 4.835) 6.222 2.039 ( 2.461 0.000 -5.563) 6.083 2.172 ( -12.624 0.000 -10.329) 16.311 2.213 ( 0.546 0.000 -4.818) 4.849 2.459 ( 4.115 0.000 -11.577) 12.287 2.624 ( -15.041 0.000 -10.494) 18.340 2.803 ( -0.373 0.000 0.028) 0.374 2.899 ( -1.770 0.000 -0.959) 2.013 2.960 ( -1.462 0.000 3.420) 3.720 3.193 ( 5.791 0.000 1.577) 6.002 3.385 ( 0.290 0.000 0.912) 0.957 3.445 ( -0.136 0.000 0.249) 0.284 3.510 ( -7.516 0.000 -0.776) 7.556 3.606 ( -0.480 0.000 -4.489) 4.514 3.766 ( 3.514 0.000 4.146) 5.435 3.929 ( -4.871 0.000 4.148) 6.398 4.060 ( 1.950 0.000 -2.584) 3.237 4.185 ( -2.543 0.000 -5.818) 6.350 4.221 ( 6.868 0.000 1.434) 7.016 4.464 ( -3.996 0.000 -4.517) 6.030 4.743 ( -4.870 0.000 0.717) 4.923 4.853 ( 13.759 0.000 0.438) 13.766 5.623 ( -3.616 0.000 9.001) 9.700 5.768 ( 0.696 0.000 7.970) 8.000 5.941 ( -1.956 0.000 2.326) 3.039 5.997 ( 8.615 0.000 -0.192) 8.617 6.069 ( -4.555 0.000 2.826) 5.360 6.419 ( -1.639 0.000 -6.417) 6.623 6.637 ( -3.552 0.000 1.163) 3.737 6.746 ( 10.864 0.000 0.708) 10.887 7.579 ( -3.956 0.000 0.492) 3.987 7.676 ( 0.992 0.000 -2.601) 2.784 7.858 ( -0.045 0.000 3.674) 3.674 7.905 ( 6.152 0.000 1.952) 6.454 7.962 ( 3.111 0.000 1.354) 3.393 8.109 ( 2.317 0.000 -3.988) 4.612 8.216 ( -0.317 0.000 7.422) 7.429 8.344 ( 1.609 0.000 5.816) 6.034 8.559 ( -1.738 0.000 1.584) 2.351 8.657 ( 1.472 0.000 -0.472) 1.546 8.691 ( -5.877 0.000 0.448) 5.894 8.724 ( 2.748 0.000 -1.126) 2.970 9.321 ( -1.855 0.000 1.840) 2.612 9.579 ( 2.475 0.000 -4.728) 5.337 9.603 ( -2.073 0.000 -0.285) 2.092 9.676 ( 0.985 0.000 -1.539) 1.827 10.780 ( -0.289 0.000 4.012) 4.022 10.852 ( 2.902 0.000 3.001) 4.175 11.095 ( 1.677 0.000 1.452) 2.219 11.272 ( -2.923 0.000 6.694) 7.305 11.290 ( 1.426 0.000 -2.610) 2.974 11.491 ( 0.001 0.000 -3.306) 3.306 11.554 ( -3.570 0.000 -3.039) 4.689 11.647 ( -0.907 0.000 -2.940) 3.077 12.400 ( -8.114 0.000 -1.353) 8.226 12.438 ( 4.289 0.000 -1.195) 4.452 12.905 ( 6.948 0.000 4.939) 8.524 13.054 ( -2.632 0.000 0.906) 2.783 13.469 ( 1.053 0.000 4.128) 4.260 14.137 ( 1.240 0.000 -12.023) 12.087 14.161 ( -3.552 0.000 -2.205) 4.180 14.329 ( -1.816 0.000 -8.384) 8.578 21.490 ( 2.423 0.000 0.164) 2.428 21.516 ( -2.996 0.000 -1.165) 3.215 21.768 ( 1.787 0.000 4.856) 5.174 21.798 ( 4.238 0.000 3.474) 5.480 23.249 ( -0.415 0.000 1.396) 1.457 23.365 ( 0.778 0.000 -1.271) 1.490 23.664 ( 1.738 0.000 -0.506) 1.810 23.693 ( 2.875 0.000 3.762) 4.735 23.747 ( -2.545 0.000 -1.766) 3.098 23.907 ( -3.484 0.000 -1.301) 3.719 24.020 ( 0.541 0.000 -3.950) 3.987 24.033 ( -0.879 0.000 -0.486) 1.005 24.697 ( -0.535 0.000 -0.392) 0.663 24.703 ( 0.120 0.000 -3.047) 3.050 24.892 ( -2.414 0.000 2.762) 3.668 25.092 ( -7.556 0.000 1.437) 7.691 25.791 ( 0.987 0.000 1.236) 1.582 26.001 ( 0.408 0.000 -2.817) 2.846 26.194 ( 1.671 0.000 5.981) 6.210 26.768 ( 2.708 0.000 -9.517) 9.895 27.555 ( 0.402 0.000 -0.901) 0.986 27.609 ( 0.856 0.000 -1.702) 1.905 27.722 ( 0.442 0.000 1.445) 1.511 27.760 ( -0.064 0.000 0.414) 0.419 29.399 ( -2.252 0.000 4.993) 5.477 29.557 ( -3.292 0.000 -0.474) 3.326 30.133 ( -1.166 0.000 2.935) 3.158 30.475 ( 0.153 0.000 -3.846) 3.849 47.632 ( 0.875 0.000 -0.307) 0.927 47.649 ( -1.460 0.000 -0.798) 1.664 48.001 ( 0.517 0.000 1.638) 1.717 48.091 ( -0.037 0.000 -0.990) 0.991 88.725 ( 0.536 0.000 -0.970) 1.108 88.815 ( -0.205 0.000 -2.419) 2.428 89.300 ( 2.654 0.000 5.736) 6.321 90.248 ( -0.880 0.000 -10.237) 10.275 90.548 ( -6.397 0.000 -1.250) 6.518 90.552 ( 0.065 0.000 -15.357) 15.358 90.597 ( 4.739 0.000 0.708) 4.792 90.725 ( 0.112 0.000 -2.106) 2.109 ======================= Grid point 124 (58/116) ======================= q-point: (-0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( -12.115 0.000 7.626) 14.316 0.922 ( -19.401 0.000 1.442) 19.454 1.414 ( -9.960 0.000 -10.483) 14.460 1.488 ( 13.924 0.000 1.441) 13.998 1.702 ( -9.753 0.000 -5.952) 11.426 1.899 ( 4.372 0.000 -2.178) 4.884 1.911 ( -3.026 0.000 -2.194) 3.737 2.053 ( -1.113 0.000 -3.215) 3.403 2.091 ( 7.679 0.000 4.673) 8.989 2.259 ( 4.843 0.000 0.247) 4.850 2.300 ( -8.550 0.000 -8.030) 11.730 2.487 ( 11.706 0.000 -6.275) 13.281 2.830 ( 1.406 0.000 0.122) 1.412 2.834 ( -4.357 0.000 -1.522) 4.615 3.000 ( -1.045 0.000 9.064) 9.124 3.272 ( 1.704 0.000 -2.243) 2.817 3.398 ( -5.845 0.000 0.847) 5.906 3.417 ( 1.737 0.000 3.021) 3.485 3.443 ( 1.679 0.000 -0.284) 1.703 3.574 ( -0.185 0.000 -0.769) 0.791 3.866 ( 2.815 0.000 3.906) 4.815 3.913 ( -1.896 0.000 3.923) 4.357 4.011 ( -8.727 0.000 -3.149) 9.277 4.065 ( 2.255 0.000 -5.713) 6.142 4.382 ( 10.417 0.000 3.417) 10.963 4.433 ( 3.727 0.000 -4.611) 5.928 4.644 ( -7.050 0.000 -0.980) 7.118 5.003 ( 7.840 0.000 -6.397) 10.119 5.630 ( -6.434 0.000 7.052) 9.546 5.827 ( -3.581 0.000 7.735) 8.523 5.889 ( -6.578 0.000 1.022) 6.657 5.993 ( -9.326 0.000 5.434) 10.794 6.109 ( 7.487 0.000 -2.885) 8.023 6.343 ( 0.286 0.000 -6.604) 6.611 6.599 ( -1.368 0.000 -1.024) 1.709 6.920 ( 9.268 0.000 -0.393) 9.276 7.541 ( -1.616 0.000 1.342) 2.101 7.680 ( 1.758 0.000 -0.898) 1.974 7.854 ( -3.213 0.000 0.849) 3.323 8.009 ( 1.874 0.000 -0.312) 1.900 8.018 ( 5.461 0.000 0.916) 5.538 8.108 ( 2.956 0.000 -4.335) 5.247 8.277 ( -1.373 0.000 6.821) 6.958 8.453 ( 3.438 0.000 6.149) 7.045 8.532 ( -2.037 0.000 -0.025) 2.037 8.614 ( -3.982 0.000 1.274) 4.181 8.656 ( 0.024 0.000 -1.748) 1.748 8.778 ( 4.195 0.000 0.977) 4.307 9.295 ( -3.247 0.000 1.535) 3.592 9.564 ( 1.208 0.000 -4.374) 4.537 9.571 ( -1.599 0.000 0.336) 1.634 9.702 ( 3.626 0.000 -1.391) 3.883 10.793 ( -2.017 0.000 2.590) 3.283 10.929 ( 2.822 0.000 2.662) 3.880 11.137 ( 2.481 0.000 0.397) 2.512 11.283 ( 1.902 0.000 -4.448) 4.837 11.321 ( -0.573 0.000 9.528) 9.545 11.449 ( -5.205 0.000 -2.936) 5.976 11.479 ( 0.755 0.000 -0.417) 0.863 11.606 ( 0.020 0.000 -3.261) 3.261 12.276 ( -6.376 0.000 0.814) 6.428 12.508 ( 5.302 0.000 -0.075) 5.303 12.996 ( -4.349 0.000 -1.404) 4.570 13.049 ( 5.245 0.000 3.356) 6.227 13.552 ( 1.253 0.000 7.506) 7.609 13.970 ( -4.428 0.000 -19.386) 19.885 14.099 ( -1.927 0.000 -0.376) 1.963 14.239 ( -0.070 0.000 -4.674) 4.675 21.468 ( -2.192 0.000 -0.280) 2.210 21.523 ( 1.737 0.000 0.084) 1.739 21.847 ( 2.335 0.000 2.661) 3.540 21.863 ( 1.444 0.000 0.674) 1.594 23.256 ( -0.665 0.000 1.602) 1.735 23.356 ( -0.149 0.000 -1.508) 1.515 23.683 ( 1.377 0.000 0.485) 1.460 23.706 ( -1.116 0.000 -0.835) 1.394 23.813 ( 4.986 0.000 4.332) 6.605 23.836 ( -3.017 0.000 -0.930) 3.157 23.943 ( -3.558 0.000 -5.845) 6.843 24.020 ( 0.416 0.000 -0.946) 1.033 24.679 ( -0.103 0.000 -1.481) 1.484 24.686 ( -0.491 0.000 -0.257) 0.555 24.944 ( 2.547 0.000 8.781) 9.143 25.001 ( -4.362 0.000 0.408) 4.381 25.833 ( 1.979 0.000 2.108) 2.892 25.973 ( 0.378 0.000 -3.903) 3.921 26.260 ( -1.422 0.000 6.577) 6.729 26.678 ( -0.942 0.000 -12.566) 12.601 27.564 ( 1.464 0.000 -0.329) 1.501 27.603 ( 0.926 0.000 -2.760) 2.911 27.738 ( -0.129 0.000 0.849) 0.858 27.760 ( -0.221 0.000 -0.041) 0.225 29.473 ( 3.572 0.000 8.818) 9.514 29.519 ( -0.665 0.000 -0.569) 0.875 30.167 ( 0.579 0.000 5.124) 5.156 30.443 ( 1.363 0.000 -4.794) 4.984 47.629 ( -0.074 0.000 -0.706) 0.710 47.659 ( 2.627 0.000 0.116) 2.629 48.012 ( -1.104 0.000 1.556) 1.908 48.064 ( -1.951 0.000 -1.302) 2.345 88.729 ( 0.732 0.000 -0.192) 0.757 88.784 ( -0.029 0.000 -2.871) 2.871 89.437 ( 3.273 0.000 10.706) 11.195 89.972 ( -9.339 0.000 -29.622) 31.059 90.433 ( -6.032 0.000 -1.180) 6.146 90.438 ( -3.734 0.000 -0.697) 3.798 90.675 ( 4.000 0.000 0.485) 4.030 90.748 ( 4.315 0.000 -2.228) 4.856 ======================= Grid point 125 (59/116) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -8.235 0.000 16.320) 18.280 0.608 ( -18.215 0.000 1.677) 18.292 1.083 ( -19.943 0.000 8.396) 21.638 1.567 ( -0.590 0.000 -7.791) 7.813 1.693 ( 5.959 0.000 2.752) 6.564 1.876 ( -1.286 0.000 -0.383) 1.342 1.958 ( 8.200 0.000 -2.557) 8.589 2.016 ( 0.225 0.000 0.967) 0.993 2.190 ( -1.987 0.000 -1.731) 2.635 2.262 ( 7.206 0.000 2.264) 7.553 2.348 ( 7.434 0.000 -0.033) 7.434 2.606 ( -0.305 0.000 -2.463) 2.482 2.818 ( 7.846 0.000 2.948) 8.381 2.854 ( 1.773 0.000 -0.252) 1.791 3.074 ( 0.791 0.000 3.995) 4.072 3.197 ( -3.568 0.000 -6.071) 7.042 3.343 ( -3.199 0.000 3.071) 4.434 3.463 ( -1.250 0.000 -1.517) 1.965 3.534 ( 6.786 0.000 7.856) 10.381 3.599 ( 3.187 0.000 1.443) 3.498 3.877 ( -5.243 0.000 1.267) 5.394 3.893 ( -2.164 0.000 1.541) 2.656 3.947 ( 0.703 0.000 3.223) 3.299 4.070 ( 4.358 0.000 -4.635) 6.363 4.412 ( -5.986 0.000 -1.246) 6.115 4.542 ( 2.600 0.000 -7.261) 7.712 4.625 ( 13.628 0.000 5.395) 14.657 4.978 ( -0.573 0.000 -11.304) 11.319 5.523 ( -11.991 0.000 1.842) 12.131 5.733 ( -12.571 0.000 -1.301) 12.638 5.786 ( -8.644 0.000 4.257) 9.635 5.894 ( -8.647 0.000 5.705) 10.359 6.205 ( 6.895 0.000 -1.416) 7.038 6.300 ( 1.783 0.000 -5.272) 5.565 6.567 ( -0.511 0.000 -2.493) 2.545 7.017 ( 4.625 0.000 -3.078) 5.556 7.550 ( 0.323 0.000 2.178) 2.202 7.716 ( 2.160 0.000 1.476) 2.616 7.787 ( -4.368 0.000 -0.732) 4.429 8.009 ( -0.162 0.000 -2.680) 2.685 8.083 ( 3.198 0.000 -2.594) 4.118 8.124 ( 4.577 0.000 -5.668) 7.285 8.294 ( -2.743 0.000 3.973) 4.828 8.484 ( -0.277 0.000 -3.776) 3.786 8.538 ( -0.609 0.000 2.300) 2.379 8.580 ( -3.171 0.000 1.242) 3.406 8.648 ( 1.421 0.000 -0.323) 1.457 8.885 ( 5.641 0.000 2.470) 6.158 9.262 ( -2.832 0.000 3.470) 4.479 9.540 ( 1.023 0.000 -3.826) 3.960 9.567 ( -0.091 0.000 2.185) 2.187 9.751 ( 3.917 0.000 -1.524) 4.203 10.772 ( -2.559 0.000 1.051) 2.767 10.969 ( 0.721 0.000 -2.625) 2.722 11.192 ( 3.200 0.000 1.750) 3.647 11.268 ( 2.269 0.000 -5.186) 5.661 11.317 ( -5.678 0.000 -0.614) 5.711 11.487 ( 5.670 0.000 11.243) 12.592 11.495 ( 0.800 0.000 0.613) 1.008 11.593 ( 1.296 0.000 -1.653) 2.100 12.204 ( -4.652 0.000 1.761) 4.974 12.608 ( 6.135 0.000 0.785) 6.185 12.886 ( -5.758 0.000 -3.783) 6.890 13.137 ( 3.090 0.000 1.777) 3.565 13.631 ( -1.469 0.000 8.453) 8.580 13.653 ( -9.365 0.000 -14.525) 17.283 14.105 ( 0.596 0.000 3.581) 3.631 14.236 ( 2.159 0.000 -0.521) 2.221 21.433 ( -1.880 0.000 -0.448) 1.933 21.552 ( 1.538 0.000 0.569) 1.640 21.836 ( -3.897 0.000 -5.823) 7.006 21.869 ( 0.299 0.000 -1.525) 1.554 23.258 ( -0.985 0.000 1.528) 1.818 23.337 ( -0.245 0.000 -1.546) 1.566 23.674 ( -1.852 0.000 -3.903) 4.320 23.713 ( 1.225 0.000 1.512) 1.946 23.737 ( -3.872 0.000 -3.982) 5.554 23.912 ( 2.510 0.000 3.008) 3.918 23.942 ( 3.943 0.000 8.428) 9.305 24.023 ( 0.883 0.000 -1.863) 2.062 24.677 ( -0.275 0.000 -0.265) 0.382 24.680 ( 0.720 0.000 0.808) 1.082 24.962 ( -1.428 0.000 1.062) 1.779 25.171 ( 11.873 0.000 15.115) 19.221 25.887 ( 1.973 0.000 1.969) 2.787 25.943 ( 1.056 0.000 -4.264) 4.393 26.272 ( -4.710 0.000 6.223) 7.805 26.476 ( -7.366 0.000 -15.700) 17.342 27.580 ( -0.449 0.000 -2.913) 2.947 27.592 ( 1.965 0.000 0.077) 1.966 27.732 ( -1.194 0.000 0.587) 1.330 27.754 ( -0.150 0.000 -0.509) 0.531 29.526 ( 1.508 0.000 0.616) 1.629 29.694 ( 12.026 0.000 8.968) 15.001 30.251 ( 1.824 0.000 7.659) 7.873 30.431 ( 2.910 0.000 -4.750) 5.570 47.634 ( 1.249 0.000 -0.155) 1.259 47.718 ( 4.089 0.000 0.629) 4.137 47.996 ( -2.377 0.000 1.168) 2.649 48.005 ( -3.412 0.000 -1.495) 3.725 88.750 ( 1.205 0.000 1.439) 1.877 88.764 ( 0.760 0.000 -2.491) 2.604 89.487 ( -13.615 0.000 -18.768) 23.186 89.582 ( -0.574 0.000 13.186) 13.199 90.338 ( -4.092 0.000 -0.961) 4.203 90.387 ( -3.650 0.000 1.549) 3.965 90.735 ( 2.786 0.000 0.681) 2.868 90.808 ( 5.181 0.000 -1.447) 5.380 ======================= Grid point 126 (60/116) ======================= q-point: (-0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 4.681 0.000 22.123) 22.613 0.688 ( 0.233 0.000 21.099) 21.101 1.052 ( -2.189 0.000 25.968) 26.060 1.563 ( 7.526 0.000 -2.777) 8.022 1.699 ( -2.645 0.000 -4.026) 4.817 1.841 ( -3.021 0.000 0.260) 3.033 2.071 ( -1.771 0.000 9.675) 9.835 2.142 ( 11.719 0.000 3.463) 12.220 2.167 ( 2.633 0.000 -2.203) 3.433 2.340 ( -0.538 0.000 -6.282) 6.305 2.389 ( 0.857 0.000 -3.772) 3.868 2.584 ( 1.970 0.000 7.014) 7.286 2.862 ( -0.904 0.000 -1.638) 1.871 3.018 ( 3.468 0.000 1.454) 3.760 3.078 ( 0.482 0.000 -4.503) 4.529 3.080 ( -0.866 0.000 -0.616) 1.063 3.350 ( -0.830 0.000 4.371) 4.449 3.424 ( -0.631 0.000 0.344) 0.718 3.646 ( 0.856 0.000 0.140) 0.867 3.713 ( 7.251 0.000 -2.289) 7.604 3.849 ( -2.302 0.000 3.091) 3.854 3.856 ( -3.475 0.000 0.851) 3.578 3.964 ( -1.946 0.000 0.424) 1.991 4.101 ( 3.627 0.000 -4.640) 5.889 4.292 ( -3.756 0.000 1.347) 3.990 4.559 ( 7.768 0.000 -9.536) 12.299 4.740 ( -6.442 0.000 -5.769) 8.648 4.930 ( 6.956 0.000 3.978) 8.014 5.333 ( -9.523 0.000 2.951) 9.970 5.537 ( -9.392 0.000 2.723) 9.779 5.664 ( -9.878 0.000 3.462) 10.467 5.825 ( -5.689 0.000 3.362) 6.609 6.287 ( 3.601 0.000 -0.890) 3.710 6.314 ( 5.361 0.000 -3.381) 6.338 6.546 ( 1.182 0.000 -1.483) 1.896 7.011 ( -0.082 0.000 -5.634) 5.635 7.580 ( 0.293 0.000 2.066) 2.087 7.728 ( -1.579 0.000 -0.208) 1.593 7.765 ( 1.318 0.000 1.540) 2.027 7.959 ( -1.798 0.000 -3.531) 3.962 8.059 ( -0.317 0.000 -7.736) 7.743 8.129 ( 3.929 0.000 -7.143) 8.152 8.271 ( -3.361 0.000 1.441) 3.656 8.405 ( -3.005 0.000 -6.871) 7.499 8.522 ( -3.817 0.000 -0.572) 3.859 8.536 ( -0.469 0.000 1.408) 1.484 8.694 ( 2.571 0.000 2.071) 3.301 8.926 ( -0.283 0.000 -2.808) 2.822 9.286 ( -1.302 0.000 5.505) 5.657 9.528 ( 1.760 0.000 -3.255) 3.700 9.616 ( 2.184 0.000 3.429) 4.066 9.794 ( 3.112 0.000 -1.502) 3.456 10.738 ( -2.093 0.000 0.042) 2.094 10.889 ( -4.082 0.000 -6.307) 7.513 11.205 ( -5.262 0.000 -1.126) 5.381 11.257 ( 2.501 0.000 -5.061) 5.646 11.278 ( -0.207 0.000 5.675) 5.679 11.519 ( 1.463 0.000 0.779) 1.657 11.608 ( 1.347 0.000 -0.328) 1.386 11.615 ( -1.056 0.000 1.067) 1.502 12.164 ( -1.793 0.000 3.042) 3.531 12.657 ( -1.874 0.000 -4.755) 5.111 12.804 ( 1.829 0.000 0.951) 2.061 13.171 ( -0.494 0.000 -1.738) 1.807 13.671 ( -3.550 0.000 8.384) 9.104 13.683 ( 20.743 0.000 7.740) 22.140 14.170 ( 1.046 0.000 5.976) 6.067 14.284 ( 2.820 0.000 1.722) 3.305 21.397 ( -1.393 0.000 -1.101) 1.775 21.586 ( 1.353 0.000 1.566) 2.070 21.618 ( -11.720 0.000 -6.739) 13.519 21.854 ( 0.224 0.000 -2.430) 2.441 23.254 ( -1.055 0.000 1.150) 1.561 23.320 ( 0.067 0.000 -1.512) 1.514 23.583 ( -1.970 0.000 -1.533) 2.497 23.735 ( 1.903 0.000 2.142) 2.865 23.756 ( 1.455 0.000 2.927) 3.269 23.946 ( -1.699 0.000 0.653) 1.820 23.996 ( -0.113 0.000 -2.989) 2.991 24.126 ( 8.248 0.000 2.861) 8.730 24.676 ( 0.293 0.000 0.392) 0.489 24.712 ( 1.615 0.000 1.154) 1.985 24.974 ( 0.103 0.000 3.509) 3.510 25.566 ( 15.841 0.000 5.341) 16.717 25.918 ( 0.235 0.000 -5.228) 5.234 25.926 ( 0.842 0.000 0.770) 1.140 26.205 ( -5.037 0.000 -4.951) 7.063 26.237 ( -6.309 0.000 5.608) 8.441 27.542 ( -1.574 0.000 -0.167) 1.583 27.623 ( 1.504 0.000 0.089) 1.507 27.724 ( -0.544 0.000 0.982) 1.123 27.746 ( -0.019 0.000 -0.694) 0.694 29.575 ( 2.372 0.000 2.543) 3.478 29.941 ( 10.488 0.000 -1.228) 10.560 30.325 ( -2.564 0.000 3.674) 4.480 30.443 ( 3.663 0.000 -4.157) 5.540 47.665 ( 2.204 0.000 0.740) 2.325 47.798 ( 4.342 0.000 0.895) 4.433 47.933 ( -3.161 0.000 -1.809) 3.642 47.960 ( -3.007 0.000 0.499) 3.048 88.761 ( 1.501 0.000 -1.923) 2.439 88.764 ( -0.982 0.000 -0.109) 0.988 89.534 ( 28.013 0.000 10.647) 29.968 89.657 ( -6.041 0.000 12.797) 14.151 90.288 ( -1.141 0.000 -0.424) 1.217 90.344 ( -2.942 0.000 0.831) 3.057 90.778 ( 1.362 0.000 1.072) 1.733 90.885 ( 5.755 0.000 -0.937) 5.831 ======================= Grid point 127 (61/116) ======================= q-point: ( 0.00 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 2.840 5.425 15.214) 16.400 1.073 ( 9.370 8.897 20.928) 24.595 1.571 ( 5.685 3.225 0.225) 6.540 1.630 ( 1.838 6.512 -3.163) 7.469 1.783 ( 2.378 3.716 0.593) 4.451 1.853 ( 5.980 5.256 20.477) 21.970 2.021 ( -4.653 -3.095 -2.134) 5.982 2.105 ( -1.895 -1.655 5.608) 6.147 2.224 ( 1.545 -0.350 1.885) 2.462 2.426 ( 3.897 2.418 -0.301) 4.596 2.502 ( 3.085 5.690 4.953) 8.150 2.700 ( 3.663 0.387 -2.159) 4.270 2.774 ( -5.472 -0.809 -2.366) 6.016 2.853 ( -7.217 -2.342 -1.110) 7.668 3.080 ( 2.320 -0.557 1.937) 3.073 3.155 ( -2.976 1.895 -3.928) 5.280 3.301 ( 2.035 -4.716 1.661) 5.398 3.514 ( -5.397 3.075 1.922) 6.502 3.550 ( -0.734 -6.813 1.834) 7.094 3.667 ( 1.756 -2.465 0.197) 3.033 3.786 ( -0.469 -0.791 -3.082) 3.216 3.902 ( 1.427 1.404 0.680) 2.114 3.952 ( -1.224 4.853 0.113) 5.006 4.146 ( 0.284 4.365 -5.109) 6.726 4.367 ( 6.171 0.070 2.534) 6.672 4.522 ( 0.444 -6.947 -3.417) 7.755 4.655 ( -0.417 -0.901 -6.812) 6.884 4.822 ( -4.360 -1.817 -4.056) 6.226 5.424 ( 1.827 4.327 7.912) 9.201 5.545 ( 3.287 3.377 4.697) 6.653 5.670 ( -4.305 8.479 0.171) 9.511 5.842 ( -3.668 6.743 -0.787) 7.717 6.260 ( 0.003 -2.651 -2.452) 3.611 6.355 ( 3.645 -3.112 -2.789) 5.545 6.551 ( 3.946 -3.716 3.007) 6.199 6.911 ( -2.804 -0.693 -6.225) 6.863 7.583 ( 0.123 -1.708 2.267) 2.841 7.708 ( 1.168 -2.189 -0.451) 2.522 7.771 ( -0.395 -0.116 -0.731) 0.839 7.894 ( -2.730 -0.073 -3.137) 4.159 7.944 ( -2.213 -0.400 -8.034) 8.343 8.129 ( 2.253 -0.520 -4.383) 4.955 8.190 ( -2.002 -2.641 -1.099) 3.492 8.266 ( -2.083 -3.121 -3.769) 5.319 8.463 ( -2.070 -0.121 -0.532) 2.141 8.553 ( -0.309 1.475 -0.950) 1.781 8.702 ( 0.733 -5.114 2.696) 5.827 8.863 ( -1.341 -1.228 -3.250) 3.724 9.328 ( -1.037 3.230 4.250) 5.438 9.484 ( 0.036 -3.643 0.138) 3.645 9.669 ( 1.334 -0.497 2.104) 2.540 9.780 ( 1.345 -3.868 -1.100) 4.241 10.701 ( -1.662 -0.161 -0.957) 1.925 10.785 ( -2.194 0.784 -3.681) 4.356 11.140 ( -4.560 3.563 -0.878) 5.853 11.262 ( 2.205 0.728 -3.944) 4.577 11.319 ( -1.691 0.367 5.321) 5.595 11.550 ( 2.018 -1.445 2.748) 3.703 11.583 ( -0.944 -0.562 0.631) 1.267 11.630 ( -0.070 0.727 -0.973) 1.217 12.216 ( 0.933 2.051 4.086) 4.667 12.519 ( -3.654 -1.180 -5.825) 6.976 12.925 ( 3.598 2.604 2.233) 4.971 13.107 ( -2.984 -0.612 -2.774) 4.119 13.673 ( -4.313 -0.333 6.556) 7.855 13.998 ( 15.086 -8.780 -0.902) 17.479 14.307 ( 2.741 3.620 4.415) 6.333 14.371 ( 4.253 1.264 2.623) 5.154 21.378 ( -0.125 0.096 -1.210) 1.221 21.427 ( -4.075 -0.449 -2.470) 4.786 21.625 ( 0.537 0.122 2.129) 2.199 21.811 ( -0.626 -1.635 -3.013) 3.485 23.275 ( -0.316 2.832 0.935) 2.999 23.358 ( -0.323 4.394 -2.074) 4.870 23.591 ( 2.818 -0.792 2.167) 3.642 23.786 ( 1.428 -2.320 2.718) 3.848 23.812 ( 0.455 0.005 3.401) 3.431 23.829 ( -3.455 -1.704 -2.496) 4.591 24.015 ( 0.340 2.735 -0.571) 2.815 24.234 ( 1.836 1.965 -6.092) 6.659 24.696 ( 0.951 0.319 0.447) 1.098 24.741 ( 1.609 -0.014 -0.419) 1.663 25.029 ( 0.248 -0.453 6.288) 6.310 25.406 ( -11.726 -7.601 -2.223) 14.150 25.905 ( 1.767 -0.063 -2.001) 2.671 25.924 ( -1.048 0.260 -0.947) 1.436 26.263 ( -3.468 5.849 2.995) 7.431 26.420 ( 14.924 4.003 -0.829) 15.474 27.552 ( 0.344 1.387 1.603) 2.147 27.643 ( 0.348 0.607 -0.236) 0.738 27.730 ( -0.359 0.249 0.667) 0.797 27.742 ( 0.198 0.020 -0.437) 0.481 29.630 ( 1.112 -1.199 3.985) 4.308 29.841 ( -6.041 -10.034 0.586) 11.727 30.235 ( -3.710 -0.876 2.573) 4.599 30.440 ( 3.306 -2.503 -3.254) 5.271 47.757 ( 2.148 3.551 0.048) 4.150 47.823 ( -3.516 0.463 -0.331) 3.562 47.907 ( -1.908 -0.656 -0.409) 2.058 47.916 ( 3.466 -0.178 -1.179) 3.665 88.738 ( -0.548 0.626 0.365) 0.909 88.826 ( 1.788 4.062 -2.190) 4.949 89.528 ( -9.145 -10.088 7.916) 15.751 89.809 ( 21.400 -23.179 2.674) 31.660 90.324 ( 1.846 1.787 1.139) 2.811 90.340 ( -1.707 2.523 0.466) 3.081 91.010 ( 1.227 14.154 -0.781) 14.229 91.316 ( 11.845 25.827 -14.692) 31.988 ======================= Grid point 128 (62/116) ======================= q-point: ( 0.12 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 2.122 2.332 13.847) 14.201 1.370 ( 4.639 12.620 17.084) 21.740 1.466 ( -1.233 0.704 -9.985) 10.086 1.663 ( 1.891 2.954 -5.058) 6.156 1.796 ( -7.993 0.356 -8.488) 11.665 1.826 ( -1.854 -0.912 1.846) 2.771 2.060 ( -4.683 1.991 2.527) 5.681 2.264 ( 0.775 2.003 11.021) 11.228 2.299 ( -1.984 3.706 4.680) 6.291 2.467 ( 4.847 -3.498 4.333) 7.383 2.610 ( 4.640 -0.828 -2.779) 5.471 2.676 ( 7.374 3.231 8.090) 11.413 2.694 ( -3.915 -0.608 -0.927) 4.069 2.881 ( 4.388 -1.297 -0.656) 4.623 2.971 ( -7.267 2.704 -6.627) 10.200 3.145 ( 3.006 0.015 2.336) 3.807 3.358 ( 0.636 -4.413 3.493) 5.664 3.466 ( -3.021 -2.906 2.277) 4.770 3.529 ( -1.860 -5.763 -0.038) 6.056 3.674 ( -0.615 -5.738 -3.724) 6.868 3.787 ( 2.532 7.349 1.083) 7.848 3.918 ( 0.455 5.274 1.494) 5.501 3.988 ( 3.857 3.676 -1.340) 5.494 4.135 ( 2.919 1.324 -4.095) 5.200 4.391 ( -9.129 -8.800 -2.637) 12.951 4.520 ( 6.073 -1.154 3.995) 7.360 4.588 ( -0.240 0.390 -8.096) 8.109 4.782 ( 4.642 4.327 -3.691) 7.341 5.492 ( -0.964 3.127 7.474) 8.159 5.562 ( -2.516 2.951 1.914) 4.324 5.725 ( 3.955 4.307 -0.137) 5.849 5.796 ( 0.828 6.992 0.020) 7.041 6.213 ( -2.000 -0.458 -2.641) 3.344 6.387 ( 3.381 -5.995 -1.799) 7.114 6.649 ( 3.206 -1.640 2.933) 4.645 6.794 ( -3.860 0.595 -5.837) 7.023 7.624 ( 1.358 -2.036 3.620) 4.370 7.712 ( 0.362 -2.353 -0.996) 2.581 7.764 ( 1.130 -1.539 -3.979) 4.413 7.801 ( -2.787 -1.249 -3.161) 4.395 7.855 ( -2.386 2.359 -2.465) 4.164 8.110 ( -1.993 -3.539 0.082) 4.063 8.153 ( 1.053 0.467 -4.634) 4.775 8.234 ( 0.785 -2.955 -1.122) 3.257 8.458 ( 1.069 -0.530 1.459) 1.885 8.536 ( -0.494 1.257 -0.575) 1.468 8.732 ( 0.089 -6.753 2.150) 7.088 8.810 ( -1.576 -0.610 -2.827) 3.294 9.352 ( -1.217 6.124 3.742) 7.279 9.483 ( 0.341 -5.172 -0.191) 5.187 9.690 ( -0.296 -0.155 0.813) 0.879 9.776 ( -0.549 -2.819 -1.412) 3.200 10.677 ( -0.376 -0.670 -0.290) 0.821 10.745 ( -0.125 1.411 -0.859) 1.657 11.072 ( -2.879 2.800 0.038) 4.016 11.263 ( 1.643 -0.085 -2.726) 3.184 11.328 ( -3.066 1.105 4.785) 5.789 11.596 ( 0.372 -0.857 1.531) 1.794 11.605 ( 0.459 -1.203 0.644) 1.439 11.614 ( 1.819 -0.817 -1.268) 2.363 12.297 ( 3.654 1.665 5.003) 6.415 12.432 ( -0.838 0.005 -4.489) 4.566 12.994 ( 1.879 0.843 2.625) 3.336 13.010 ( -5.265 0.286 -3.374) 6.260 13.639 ( -6.264 0.670 4.261) 7.605 14.133 ( 5.837 -8.667 -3.549) 11.035 14.360 ( 0.733 3.381 0.789) 3.548 14.454 ( 3.606 0.796 -0.414) 3.716 21.372 ( 0.695 -0.733 -1.290) 1.639 21.407 ( 2.954 -0.126 0.008) 2.957 21.651 ( -0.266 -0.744 2.664) 2.778 21.761 ( -1.699 -1.271 -3.432) 4.035 23.268 ( -1.341 2.820 0.467) 3.157 23.356 ( 1.924 3.704 -0.751) 4.241 23.682 ( 3.184 -1.121 2.879) 4.436 23.699 ( -3.857 -1.526 -3.181) 5.227 23.826 ( -1.815 0.085 1.401) 2.295 23.866 ( 2.029 -1.262 2.338) 3.342 24.027 ( 0.451 2.462 1.245) 2.796 24.172 ( -1.357 0.597 -6.183) 6.358 24.712 ( 0.697 0.093 -0.077) 0.708 24.750 ( 1.012 0.270 -1.935) 2.201 25.110 ( -0.376 -2.520 8.913) 9.270 25.201 ( -10.351 -3.069 -0.018) 10.797 25.878 ( -2.759 0.397 -1.448) 3.141 25.912 ( 0.371 -2.383 -0.441) 2.451 26.232 ( -2.398 8.321 1.001) 8.717 26.620 ( 12.275 1.018 -4.751) 13.201 27.581 ( 1.038 1.381 1.380) 2.211 27.633 ( -0.746 0.826 -0.998) 1.495 27.725 ( -0.806 0.090 0.272) 0.855 27.745 ( 0.331 0.221 0.057) 0.402 29.669 ( -2.059 -2.141 4.045) 5.019 29.696 ( -10.653 -4.502 1.658) 11.683 30.210 ( -2.314 0.232 1.695) 2.878 30.463 ( 2.880 -2.608 -2.535) 4.639 47.748 ( -4.016 0.465 -0.906) 4.143 47.773 ( -1.888 1.397 1.567) 2.824 47.887 ( 1.557 0.496 -1.044) 1.939 47.983 ( 4.506 -0.358 -0.540) 4.553 88.742 ( 0.185 0.678 0.550) 0.893 88.833 ( 1.847 4.066 -2.242) 4.997 89.426 ( -10.361 -9.168 4.517) 14.553 90.079 ( 12.282 -24.349 -2.227) 27.362 90.323 ( -0.398 3.298 0.103) 3.324 90.390 ( 4.475 -0.079 0.774) 4.543 91.002 ( -1.245 13.776 -0.850) 13.858 91.294 ( 3.333 20.223 -14.108) 24.882 ======================= Grid point 129 (63/116) ======================= q-point: ( 0.25 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -5.175 2.123 -0.593) 5.625 1.435 ( 0.427 -3.895 -0.800) 3.999 1.513 ( -6.428 2.601 -3.527) 7.779 1.554 ( -2.215 7.459 3.956) 8.728 1.675 ( 2.432 5.898 -2.618) 6.896 1.793 ( -4.625 1.002 3.173) 5.698 1.999 ( -8.248 2.252 -1.471) 8.676 2.054 ( -2.106 1.652 -6.117) 6.677 2.443 ( -2.823 -3.503 1.836) 4.859 2.509 ( 0.932 0.997 7.886) 8.003 2.616 ( -2.562 0.375 -4.045) 4.803 2.697 ( -0.708 1.954 -6.927) 7.233 2.792 ( 5.573 -0.392 -1.459) 5.774 2.922 ( 5.565 3.628 2.384) 7.058 2.988 ( 2.985 -2.090 3.101) 4.785 3.212 ( 0.435 -2.425 0.479) 2.510 3.379 ( -1.676 -2.868 -0.514) 3.361 3.435 ( -0.644 -1.258 2.136) 2.561 3.562 ( 2.940 -7.891 5.217) 9.906 3.617 ( -1.833 -5.096 -1.200) 5.547 3.824 ( 1.440 9.085 -1.686) 9.352 3.917 ( -4.972 6.427 -0.560) 8.145 4.001 ( 3.640 -2.743 -4.902) 6.694 4.156 ( 4.789 0.058 -3.072) 5.690 4.299 ( 0.222 2.569 2.396) 3.520 4.478 ( -1.473 0.533 -6.959) 7.133 4.640 ( 3.624 1.244 2.612) 4.637 4.842 ( 1.198 2.383 1.488) 3.054 5.535 ( -2.677 -0.061 4.024) 4.834 5.578 ( 4.082 -0.751 1.155) 4.308 5.723 ( 0.385 3.650 1.608) 4.007 5.884 ( 5.436 5.218 0.889) 7.587 6.163 ( -1.330 1.496 -1.512) 2.509 6.433 ( 3.089 -4.828 0.622) 5.765 6.655 ( -1.856 0.178 -5.213) 5.536 6.725 ( -1.034 1.585 1.739) 2.570 7.674 ( -0.519 -3.387 0.647) 3.487 7.706 ( 0.120 -2.540 -2.128) 3.316 7.712 ( 0.233 -1.404 0.852) 1.659 7.800 ( 2.637 -2.188 -0.837) 3.528 7.812 ( -1.583 3.429 0.615) 3.826 8.092 ( -1.347 -3.261 2.768) 4.485 8.131 ( 1.612 0.874 -4.056) 4.451 8.248 ( 0.868 -2.448 0.631) 2.673 8.517 ( 3.318 -1.207 2.348) 4.240 8.535 ( 0.037 0.683 1.251) 1.426 8.743 ( -1.165 -6.362 1.391) 6.615 8.762 ( -0.838 0.307 -2.415) 2.574 9.351 ( -1.921 4.038 1.631) 4.760 9.500 ( 1.538 -4.355 0.128) 4.621 9.681 ( -0.814 -0.768 -0.678) 1.308 9.735 ( -2.190 -1.336 -1.978) 3.240 10.686 ( 1.006 -0.705 1.194) 1.713 10.756 ( 1.103 1.569 1.150) 2.236 11.048 ( -0.922 1.252 1.166) 1.944 11.253 ( -0.859 -1.790 -0.695) 2.104 11.324 ( -1.931 1.835 3.149) 4.124 11.572 ( -0.306 -0.160 -3.210) 3.229 11.619 ( 0.094 -2.103 0.190) 2.114 11.655 ( 1.600 -0.675 1.038) 2.023 12.397 ( 1.763 0.706 -2.755) 3.346 12.429 ( 5.117 0.920 4.804) 7.079 12.878 ( -6.428 1.430 -3.236) 7.338 13.037 ( 0.263 -0.502 2.579) 2.641 13.561 ( -6.241 2.029 1.404) 6.711 14.153 ( 2.304 -7.292 -5.005) 9.140 14.351 ( -0.954 3.322 -1.986) 3.986 14.472 ( 0.780 0.542 -2.962) 3.110 21.392 ( 2.754 -0.362 -0.517) 2.826 21.492 ( 5.262 -1.574 2.594) 6.075 21.665 ( -1.035 -1.184 1.348) 2.071 21.697 ( -2.161 -0.050 -1.344) 2.545 23.252 ( -0.911 1.541 0.416) 1.838 23.391 ( 2.527 5.312 -0.367) 5.894 23.598 ( -2.503 -1.895 -2.256) 3.866 23.772 ( -1.763 -0.754 0.766) 2.065 23.801 ( 1.495 0.150 2.397) 2.829 23.898 ( 0.573 -0.466 -0.218) 0.770 24.038 ( -0.624 0.927 0.744) 1.343 24.101 ( -1.068 0.727 -3.176) 3.429 24.716 ( 0.230 -0.082 -0.717) 0.758 24.741 ( 0.760 0.098 -2.564) 2.676 25.047 ( -7.507 -1.168 0.704) 7.630 25.190 ( -2.996 -2.685 8.567) 9.464 25.820 ( -2.578 0.206 -1.132) 2.823 25.913 ( 0.103 -4.459 0.483) 4.486 26.211 ( -0.195 9.212 -0.761) 9.246 26.731 ( 8.375 0.060 -6.242) 10.445 27.599 ( -0.523 0.682 -0.621) 1.060 27.612 ( 0.209 1.239 -0.216) 1.275 27.713 ( -0.906 0.153 0.277) 0.959 27.751 ( 0.197 0.382 0.371) 0.568 29.539 ( -9.401 -1.381 2.071) 9.725 29.662 ( -4.002 -2.045 2.961) 5.382 30.185 ( -2.542 0.971 1.295) 3.014 30.481 ( 1.912 -2.607 -2.055) 3.831 47.682 ( -2.837 0.525 -0.842) 3.005 47.737 ( -3.300 0.055 0.696) 3.374 47.926 ( 3.083 1.346 0.221) 3.371 48.043 ( 3.438 -0.411 -0.508) 3.499 88.746 ( 0.014 1.158 -0.337) 1.206 88.846 ( 2.007 3.760 -1.722) 4.597 89.298 ( -8.309 -7.197 1.487) 11.093 90.188 ( 5.607 -21.893 -4.891) 23.123 90.339 ( 2.015 4.342 1.147) 4.922 90.471 ( 4.631 -0.429 0.269) 4.659 90.958 ( -2.558 12.822 -1.621) 13.175 91.174 ( -1.425 16.444 -12.471) 20.687 ======================= Grid point 130 (64/116) ======================= q-point: (-0.62 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -5.124 6.020 -3.719) 8.736 1.281 ( -3.329 -2.281 -10.781) 11.511 1.421 ( -4.681 0.578 -1.889) 5.081 1.533 ( -2.636 -0.629 0.276) 2.724 1.744 ( -5.856 1.826 5.746) 8.405 1.773 ( 5.571 2.734 1.745) 6.447 1.908 ( -1.972 5.126 1.509) 5.696 2.051 ( 4.927 2.997 -2.231) 6.183 2.352 ( -5.646 -1.370 -2.583) 6.358 2.471 ( -6.676 4.157 -6.890) 10.456 2.544 ( 1.900 3.364 -10.733) 11.407 2.689 ( 0.699 0.958 6.679) 6.784 2.838 ( 0.706 -3.741 -2.593) 4.607 2.970 ( -1.712 0.577 -0.206) 1.818 3.058 ( 3.463 -2.725 1.480) 4.649 3.090 ( -7.416 1.573 -9.101) 11.845 3.351 ( -0.209 -5.459 -0.540) 5.490 3.424 ( -1.428 -0.400 0.176) 1.493 3.599 ( -1.787 -3.353 0.633) 3.852 3.652 ( 0.886 -5.807 2.430) 6.357 3.762 ( -4.208 7.074 -1.486) 8.364 3.874 ( 1.682 4.679 -0.929) 5.058 4.022 ( 3.025 -6.877 -3.269) 8.194 4.232 ( 3.350 9.967 1.916) 10.688 4.331 ( 0.856 7.974 -3.627) 8.802 4.509 ( 7.538 -6.337 4.866) 10.984 4.670 ( -0.512 4.139 -1.036) 4.298 4.828 ( -2.431 2.831 0.432) 3.756 5.511 ( -3.243 -4.774 2.654) 6.352 5.684 ( 4.740 -1.660 4.309) 6.618 5.804 ( 5.065 -0.036 3.094) 5.935 5.954 ( 2.232 1.383 0.588) 2.691 6.147 ( -0.110 4.964 0.478) 4.988 6.481 ( -0.150 -2.637 0.931) 2.800 6.608 ( 4.808 1.554 -4.346) 6.665 6.712 ( -3.249 2.100 2.009) 4.360 7.636 ( -2.994 -1.931 -0.125) 3.565 7.682 ( -0.078 -1.471 -2.574) 2.965 7.766 ( 2.561 -2.539 3.226) 4.839 7.825 ( 1.235 1.692 2.261) 3.082 7.858 ( 3.422 -3.012 1.757) 4.886 8.098 ( 0.470 -1.411 -1.422) 2.057 8.155 ( 1.897 0.342 3.800) 4.260 8.270 ( 0.204 -2.261 2.313) 3.241 8.554 ( -0.086 -0.048 2.321) 2.323 8.590 ( 2.932 -2.043 1.144) 3.752 8.718 ( -2.543 -2.833 0.552) 3.846 8.741 ( 0.048 0.003 -1.444) 1.445 9.335 ( -1.379 0.827 0.934) 1.860 9.521 ( 1.249 -3.482 -0.905) 3.809 9.654 ( -1.103 -0.873 -1.653) 2.171 9.678 ( -1.770 -1.376 -2.364) 3.259 10.729 ( 1.716 -0.215 2.754) 3.252 10.798 ( 1.850 1.260 2.391) 3.276 11.062 ( 0.467 0.509 2.267) 2.370 11.227 ( -1.803 -3.016 0.187) 3.519 11.328 ( -1.036 2.145 2.420) 3.396 11.534 ( -0.117 0.137 -3.889) 3.893 11.601 ( -1.749 -1.776 -1.058) 2.708 11.673 ( 0.079 -0.466 -0.590) 0.756 12.411 ( 3.226 1.637 -2.064) 4.165 12.521 ( -1.247 0.717 1.813) 2.314 12.794 ( 0.385 1.633 1.043) 1.976 13.053 ( -1.141 -1.373 2.216) 2.846 13.490 ( -2.938 3.031 0.646) 4.271 14.121 ( 0.830 -6.311 -6.374) 9.008 14.295 ( -2.152 2.882 -4.140) 5.484 14.426 ( -1.093 0.234 -5.802) 5.909 21.443 ( 3.244 0.109 0.474) 3.280 21.568 ( -0.908 -1.734 -0.110) 1.960 21.662 ( 3.412 -0.573 2.033) 4.013 21.705 ( 0.248 -0.640 4.049) 4.106 23.249 ( -0.276 1.028 0.869) 1.374 23.412 ( 0.931 4.892 -1.646) 5.245 23.590 ( 2.046 -1.212 1.182) 2.656 23.715 ( -2.624 0.694 -0.857) 2.847 23.814 ( -2.215 -0.175 -1.332) 2.591 23.920 ( 1.351 -0.404 1.371) 1.967 24.031 ( -0.138 -0.273 -0.768) 0.827 24.068 ( -0.748 1.457 -0.966) 1.901 24.707 ( -0.230 -0.251 -1.029) 1.084 24.725 ( 0.526 -0.201 -2.918) 2.972 24.951 ( -5.100 0.543 0.701) 5.177 25.174 ( -7.004 -2.067 5.030) 8.867 25.783 ( -0.966 -0.054 -0.076) 0.971 25.934 ( 1.161 -4.967 1.382) 5.284 26.214 ( 1.362 7.898 -0.311) 8.021 26.774 ( 5.123 -0.945 -7.536) 9.161 27.574 ( -0.608 0.599 -1.305) 1.559 27.618 ( 0.382 0.778 -0.693) 1.110 27.708 ( -0.262 0.300 0.951) 1.031 27.758 ( 0.087 0.321 0.487) 0.590 29.437 ( -5.999 0.241 2.812) 6.630 29.608 ( -4.576 -1.665 1.053) 4.983 30.158 ( -2.183 1.631 1.426) 3.076 30.480 ( 0.664 -2.448 -2.573) 3.613 47.643 ( -1.126 0.561 -0.524) 1.363 47.691 ( -2.460 0.179 -0.184) 2.473 47.977 ( 2.098 1.209 1.062) 2.644 48.081 ( 1.872 -0.355 -0.643) 2.011 88.738 ( -0.125 1.045 -0.893) 1.381 88.856 ( 0.953 3.063 -1.933) 3.745 89.217 ( -2.598 -5.018 1.630) 5.881 90.176 ( 1.201 -18.548 -8.229) 20.326 90.403 ( 2.787 3.025 2.556) 4.843 90.539 ( 3.115 0.554 0.400) 3.189 90.897 ( -1.854 12.057 -2.787) 12.514 91.023 ( -1.925 15.386 -12.055) 19.641 ======================= Grid point 131 (65/116) ======================= q-point: (-0.50 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -4.885 11.533 -0.985) 12.563 1.182 ( -6.225 -1.777 -1.710) 6.696 1.340 ( 2.228 5.422 -0.364) 5.873 1.530 ( 4.283 0.972 -7.820) 8.969 1.738 ( 0.517 -3.164 3.598) 4.819 1.806 ( 0.006 -8.498 -1.043) 8.562 1.946 ( 1.840 7.241 3.293) 8.165 2.136 ( -1.735 6.879 1.638) 7.281 2.209 ( -3.879 4.240 -8.101) 9.932 2.282 ( -3.213 1.746 -5.142) 6.310 2.474 ( 2.443 2.607 -11.952) 12.474 2.627 ( -13.290 0.615 -12.388) 18.179 2.761 ( 0.171 -2.434 3.602) 4.350 2.899 ( -2.524 0.181 2.485) 3.546 2.991 ( -2.388 1.651 -0.848) 3.025 3.149 ( 5.513 -3.758 1.613) 6.864 3.356 ( 0.576 -4.398 0.604) 4.477 3.412 ( -1.463 -1.638 0.631) 2.285 3.543 ( -4.361 1.513 0.006) 4.616 3.643 ( -0.391 2.358 -2.625) 3.550 3.772 ( 2.303 0.549 5.182) 5.697 3.895 ( 1.999 3.987 -0.872) 4.545 4.038 ( 2.346 -6.927 -2.666) 7.784 4.210 ( -4.342 5.050 -5.304) 8.514 4.315 ( -1.238 7.777 2.265) 8.194 4.566 ( 0.708 8.119 -3.078) 8.712 4.746 ( 0.425 0.282 1.648) 1.725 4.841 ( 8.878 -0.576 0.705) 8.925 5.489 ( -4.908 -8.578 6.210) 11.672 5.778 ( -0.150 -4.807 4.254) 6.421 5.889 ( 1.368 -0.536 3.408) 3.712 5.992 ( 4.262 -2.600 -1.937) 5.355 6.153 ( -1.455 6.996 2.447) 7.553 6.436 ( -2.732 2.314 -3.221) 4.816 6.669 ( -3.132 2.503 0.434) 4.032 6.732 ( 10.106 -1.275 0.926) 10.228 7.580 ( -3.348 -0.289 0.153) 3.363 7.669 ( 1.014 -0.709 -1.871) 2.243 7.843 ( 1.233 -1.374 3.682) 4.119 7.882 ( 3.514 -2.438 1.918) 4.687 7.931 ( 3.354 -2.733 1.724) 4.657 8.089 ( 1.101 -1.647 -2.633) 3.295 8.239 ( 1.284 1.364 6.402) 6.671 8.309 ( 1.082 -3.295 4.340) 5.556 8.570 ( -0.790 0.225 2.203) 2.352 8.628 ( 1.567 -2.285 -0.992) 2.943 8.673 ( -4.057 -0.727 1.706) 4.461 8.737 ( 1.731 1.112 -1.686) 2.660 9.324 ( -1.453 0.112 1.072) 1.809 9.520 ( 0.283 -4.285 -1.964) 4.722 9.611 ( -1.365 -0.669 -2.365) 2.811 9.651 ( 1.013 -2.437 -1.719) 3.149 10.780 ( 0.652 0.205 2.888) 2.968 10.860 ( 2.506 0.558 2.849) 3.835 11.103 ( 1.672 0.655 2.229) 2.862 11.207 ( -0.871 -3.801 0.632) 3.951 11.338 ( -0.686 2.416 2.656) 3.656 11.499 ( 0.233 0.860 -2.715) 2.857 11.542 ( -3.587 -1.154 -2.173) 4.349 11.649 ( -0.613 -0.002 -2.825) 2.891 12.423 ( -6.135 2.285 -0.791) 6.594 12.467 ( 2.885 2.899 -0.677) 4.146 12.901 ( 6.470 -0.234 4.533) 7.903 13.041 ( -2.389 -1.439 1.019) 2.970 13.494 ( 0.909 2.663 3.381) 4.398 14.058 ( -0.056 -5.734 -8.218) 10.021 14.207 ( -2.901 2.253 -5.274) 6.427 14.329 ( -2.094 -0.052 -7.918) 8.190 21.493 ( 1.679 0.342 0.669) 1.840 21.525 ( -1.738 0.861 -0.834) 2.111 21.742 ( 1.429 -2.417 4.735) 5.505 21.785 ( 3.696 -1.329 3.229) 5.085 23.258 ( -0.058 1.140 1.382) 1.792 23.395 ( -0.400 2.239 -2.261) 3.207 23.657 ( 2.839 -0.633 1.004) 3.077 23.700 ( 1.210 0.815 1.935) 2.423 23.761 ( -1.939 1.369 -0.886) 2.534 23.906 ( -3.503 -0.543 -1.018) 3.689 24.017 ( 0.401 1.206 -2.069) 2.428 24.064 ( 1.181 1.878 -1.424) 2.636 24.692 ( -0.443 -0.418 -0.728) 0.950 24.702 ( 0.008 -0.197 -2.621) 2.628 24.903 ( -2.422 1.102 2.681) 3.777 25.088 ( -6.640 -0.449 1.771) 6.887 25.790 ( 0.937 -0.108 1.368) 1.661 25.958 ( 0.634 -3.607 -0.149) 3.666 26.248 ( 1.281 4.897 2.315) 5.566 26.748 ( 1.895 -2.168 -9.423) 9.853 27.561 ( 0.392 0.575 -0.905) 1.142 27.613 ( 0.591 0.264 -1.781) 1.895 27.720 ( 0.074 0.036 1.439) 1.442 27.763 ( -0.008 0.230 0.315) 0.390 29.405 ( -2.223 0.581 4.578) 5.122 29.548 ( -3.028 -0.983 -0.209) 3.190 30.149 ( -0.993 1.726 2.311) 3.050 30.455 ( 0.324 -2.121 -3.781) 4.348 47.636 ( 0.717 0.547 -0.153) 0.915 47.658 ( -0.971 0.793 -0.627) 1.402 48.011 ( 0.544 0.966 1.372) 1.764 48.089 ( 0.004 -0.216 -0.887) 0.913 88.727 ( -0.196 0.412 -0.713) 0.846 88.835 ( -0.099 1.871 -3.084) 3.608 89.258 ( 2.615 -3.806 5.720) 7.351 90.063 ( -2.454 -17.428 -13.762) 22.342 90.457 ( -0.286 3.870 3.549) 5.259 90.556 ( -2.250 1.034 0.041) 2.476 90.854 ( 0.883 11.936 -4.226) 12.693 90.913 ( 3.643 17.067 -10.560) 20.398 ======================= Grid point 132 (66/116) ======================= q-point: (-0.38 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -8.905 14.432 0.074) 16.958 1.041 ( -12.759 10.572 4.423) 17.150 1.357 ( -1.851 -3.477 -11.541) 12.195 1.543 ( 4.704 4.598 1.129) 6.674 1.754 ( -0.364 0.625 -2.607) 2.706 1.797 ( -3.356 -3.042 -2.459) 5.154 1.950 ( -1.407 -4.345 4.922) 6.714 2.006 ( 2.899 7.777 -1.842) 8.501 2.191 ( -7.498 -2.473 -7.264) 10.728 2.259 ( 3.147 4.674 -3.714) 6.749 2.314 ( 2.475 2.904 -2.801) 4.734 2.554 ( 9.487 5.509 -2.057) 11.162 2.775 ( -2.106 -2.588 2.252) 4.025 2.883 ( -1.781 2.425 -0.608) 3.070 2.966 ( -1.972 -3.192 5.320) 6.510 3.229 ( 2.430 -4.043 -1.633) 4.992 3.340 ( -4.118 -4.902 0.129) 6.404 3.425 ( 3.105 0.303 2.806) 4.196 3.498 ( -1.163 4.751 1.390) 5.084 3.631 ( 0.559 3.863 -0.283) 3.914 3.872 ( 2.822 0.446 4.830) 5.612 3.905 ( -1.620 3.066 -1.671) 3.849 4.026 ( -1.081 -0.614 -2.100) 2.440 4.100 ( 1.229 0.194 -4.686) 4.849 4.327 ( 0.518 3.867 2.242) 4.500 4.566 ( -0.741 5.411 -1.405) 5.640 4.704 ( 0.219 7.016 -2.530) 7.461 4.991 ( 7.733 -1.792 -4.492) 9.121 5.457 ( -7.842 -11.896 7.182) 15.956 5.738 ( -7.844 -7.966 2.787) 11.522 5.931 ( -1.216 3.009 3.380) 4.686 6.051 ( 5.768 -4.272 -3.837) 8.139 6.145 ( -3.100 8.752 4.293) 10.229 6.347 ( -3.288 1.820 -4.076) 5.544 6.620 ( -2.021 1.411 -2.191) 3.297 6.899 ( 8.735 -2.204 0.199) 9.011 7.545 ( -1.516 0.328 1.164) 1.940 7.674 ( 1.292 -0.472 -0.915) 1.652 7.848 ( -2.689 -0.760 0.997) 2.966 7.965 ( 3.604 -3.394 0.405) 4.967 7.997 ( 3.567 -2.889 0.666) 4.638 8.094 ( 3.080 -1.109 -2.766) 4.285 8.288 ( -1.929 -0.004 4.567) 4.957 8.390 ( 2.020 -5.688 4.926) 7.791 8.570 ( -1.049 2.924 0.633) 3.170 8.616 ( -0.754 -0.199 -0.635) 1.006 8.637 ( -2.301 -0.261 0.710) 2.422 8.779 ( 4.432 0.400 0.673) 4.501 9.302 ( -2.592 0.806 1.223) 2.977 9.497 ( -0.545 -5.086 -1.863) 5.444 9.576 ( -0.350 -1.105 -1.630) 2.000 9.672 ( 3.083 -3.136 -1.376) 4.608 10.797 ( -1.191 0.508 1.554) 2.023 10.927 ( 2.537 -0.416 1.722) 3.094 11.152 ( 2.771 1.220 0.108) 3.029 11.214 ( 0.668 -4.201 0.845) 4.337 11.361 ( -0.416 1.780 4.576) 4.928 11.447 ( -5.027 -0.198 -2.364) 5.558 11.501 ( 1.498 2.043 0.346) 2.557 11.615 ( 0.427 0.741 -3.261) 3.371 12.312 ( -6.160 3.687 1.000) 7.248 12.535 ( 4.905 2.517 0.279) 5.520 12.993 ( -3.525 -0.500 -1.206) 3.759 13.039 ( 5.141 -0.926 3.319) 6.189 13.565 ( 0.986 1.320 6.369) 6.578 13.926 ( -3.788 -4.272 -15.285) 16.316 14.116 ( -2.427 1.528 -1.706) 3.337 14.241 ( -0.174 0.115 -4.617) 4.622 21.478 ( -1.952 1.035 0.078) 2.211 21.537 ( 1.729 1.365 0.112) 2.205 21.798 ( -0.054 -4.254 2.675) 5.025 21.850 ( 1.895 -1.470 0.937) 2.575 23.270 ( -0.345 1.558 1.605) 2.263 23.366 ( -0.222 0.658 -1.956) 2.075 23.678 ( 0.247 -0.350 0.533) 0.684 23.715 ( -0.790 0.343 -1.161) 1.446 23.791 ( -0.676 -1.085 1.452) 1.935 23.844 ( 0.558 0.533 1.951) 2.098 23.991 ( -0.234 4.118 -3.922) 5.691 24.074 ( 2.975 4.975 -2.212) 6.205 24.676 ( -0.180 -0.197 -1.163) 1.193 24.684 ( -0.327 -0.197 -0.495) 0.626 24.947 ( 1.810 0.408 7.885) 8.100 25.017 ( -3.088 1.336 0.970) 3.502 25.833 ( 2.031 0.034 2.217) 3.007 25.952 ( 0.478 -1.951 -2.465) 3.180 26.283 ( -1.459 2.289 4.248) 5.041 26.651 ( -1.203 -2.782 -11.776) 12.160 27.569 ( 1.275 0.398 -0.426) 1.402 27.602 ( 0.677 -0.093 -2.517) 2.608 27.731 ( -0.480 -0.366 1.212) 1.355 27.763 ( -0.117 0.253 -0.097) 0.295 29.463 ( 2.292 -0.818 7.751) 8.124 29.515 ( -0.597 -0.425 -0.280) 0.785 30.174 ( 0.279 0.899 4.014) 4.123 30.425 ( 1.274 -1.882 -4.542) 5.079 47.649 ( 0.929 1.781 -0.664) 2.115 47.665 ( 2.505 0.523 0.163) 2.564 48.020 ( -1.013 0.777 1.275) 1.804 48.064 ( -1.897 -0.021 -1.192) 2.241 88.722 ( 0.087 -0.016 0.374) 0.384 88.809 ( 0.929 1.800 -3.172) 3.763 89.380 ( 2.282 -5.199 9.363) 10.950 89.808 ( -8.684 -13.163 -20.260) 25.673 90.454 ( -4.282 3.202 2.778) 6.026 90.473 ( -5.906 3.892 -0.234) 7.077 90.859 ( 4.933 11.676 -4.082) 13.316 90.942 ( 9.571 19.641 -7.425) 23.076 ======================= Grid point 133 (67/116) ======================= q-point: (-0.25 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -8.526 14.201 1.755) 16.657 0.771 ( -16.865 9.868 0.111) 19.540 1.236 ( -5.975 12.367 9.533) 16.719 1.592 ( -3.440 4.560 -2.609) 6.280 1.701 ( 4.500 -2.503 0.949) 5.236 1.824 ( 1.572 -0.097 1.237) 2.003 1.958 ( -2.523 -0.345 1.157) 2.797 2.076 ( 7.093 6.330 -0.991) 9.558 2.091 ( -0.013 -8.092 0.320) 8.098 2.307 ( 6.138 0.389 -2.254) 6.550 2.391 ( 6.445 6.077 0.133) 8.859 2.658 ( -4.798 3.641 1.324) 6.167 2.826 ( 10.882 0.894 4.538) 11.824 2.866 ( 0.931 1.107 -1.060) 1.794 3.013 ( 0.808 -4.999 4.485) 6.764 3.171 ( -4.026 -2.388 -4.963) 6.822 3.293 ( -1.764 -4.421 0.786) 4.825 3.491 ( 1.234 -0.921 1.550) 2.185 3.530 ( 0.641 4.656 2.120) 5.156 3.656 ( 1.873 2.047 1.746) 3.278 3.827 ( -2.393 -0.576 -1.540) 2.904 3.924 ( -0.930 -0.677 1.650) 2.011 4.014 ( 0.091 6.523 0.054) 6.524 4.149 ( 7.051 4.879 -1.310) 8.674 4.383 ( 3.863 -2.666 -1.736) 5.004 4.454 ( -7.877 -1.215 -0.295) 7.975 4.773 ( 8.077 8.000 -2.067) 11.555 4.975 ( -1.198 -0.568 -8.940) 9.038 5.362 ( -10.117 -11.027 4.065) 15.507 5.614 ( -9.701 -5.734 2.622) 11.570 5.896 ( -6.268 6.691 2.011) 9.386 6.039 ( -4.252 6.065 -2.050) 7.686 6.188 ( 4.397 1.156 2.685) 5.280 6.274 ( -0.321 -1.749 -3.930) 4.314 6.559 ( -2.058 -1.086 -3.126) 3.897 6.995 ( 4.327 -2.327 -2.643) 5.579 7.550 ( -0.084 -0.085 1.890) 1.893 7.689 ( 0.714 -1.816 0.053) 1.952 7.803 ( -2.624 0.905 0.131) 2.778 7.985 ( 0.784 -2.110 -2.532) 3.388 8.054 ( 3.267 -3.265 -1.986) 5.027 8.125 ( 4.353 0.002 -4.292) 6.113 8.275 ( -3.432 -2.504 2.362) 4.861 8.430 ( -0.787 -6.716 -0.066) 6.762 8.542 ( -1.054 3.531 -1.383) 3.936 8.597 ( -2.120 -0.597 -1.081) 2.454 8.627 ( 0.165 0.015 2.358) 2.364 8.879 ( 4.917 -0.435 1.211) 5.083 9.279 ( -1.902 1.749 2.991) 3.952 9.474 ( -0.358 -5.047 -0.886) 5.137 9.573 ( 0.934 -0.825 0.281) 1.278 9.715 ( 3.529 -3.806 -1.198) 5.327 10.778 ( -2.006 0.732 0.148) 2.140 10.951 ( 0.475 -1.731 -3.276) 3.736 11.199 ( 2.947 0.182 0.649) 3.023 11.227 ( 0.944 -2.140 -1.644) 2.859 11.350 ( -3.736 1.922 -1.155) 4.357 11.429 ( 0.815 -2.290 6.631) 7.062 11.561 ( 3.819 2.997 3.584) 6.035 11.604 ( 1.393 1.009 -2.157) 2.758 12.242 ( -4.671 3.886 1.695) 6.309 12.625 ( 4.983 1.075 0.430) 5.116 12.905 ( -3.726 1.541 -3.996) 5.677 13.129 ( 3.140 -0.930 1.763) 3.719 13.606 ( -3.246 -0.705 0.136) 3.324 13.692 ( -4.923 1.646 -4.825) 7.087 14.121 ( 1.193 1.577 3.951) 4.418 14.235 ( 2.022 0.074 -0.317) 2.048 21.447 ( -1.799 1.353 -0.587) 2.326 21.565 ( 1.384 1.154 0.429) 1.852 21.757 ( -5.454 -5.797 -2.950) 8.488 21.864 ( 0.144 -1.246 -1.353) 1.845 23.273 ( -0.821 1.568 1.064) 2.065 23.360 ( 1.371 1.724 -1.053) 2.441 23.667 ( -2.835 -0.600 -2.544) 3.856 23.696 ( 0.253 -0.819 0.587) 1.039 23.740 ( -1.641 0.276 0.049) 1.665 23.892 ( -1.506 -1.772 2.952) 3.759 24.003 ( 4.948 5.162 -1.037) 7.225 24.122 ( 5.309 7.909 -1.490) 9.641 24.674 ( 0.097 -0.156 0.152) 0.238 24.680 ( 0.448 -0.047 0.358) 0.576 24.977 ( -1.131 1.573 1.169) 2.262 25.166 ( 10.565 -0.504 13.238) 16.944 25.889 ( 1.973 0.088 2.003) 2.813 25.936 ( 1.309 -0.755 -3.456) 3.772 26.266 ( -5.133 0.012 2.434) 5.681 26.486 ( -4.798 0.408 -10.735) 11.766 27.573 ( -0.347 -0.340 -1.760) 1.826 27.601 ( 1.659 0.513 -0.372) 1.776 27.729 ( -0.900 -0.085 0.930) 1.297 27.757 ( -0.290 0.245 -0.455) 0.593 29.524 ( 1.356 -0.278 0.791) 1.594 29.630 ( 7.496 -5.450 9.168) 13.036 30.230 ( 0.393 -1.288 5.646) 5.804 30.413 ( 2.592 -1.951 -4.444) 5.502 47.673 ( 2.950 3.025 -1.047) 4.353 47.723 ( 4.116 0.544 0.658) 4.204 48.002 ( -2.440 0.563 0.627) 2.581 48.007 ( -3.306 0.163 -1.267) 3.544 88.748 ( 1.802 0.915 1.785) 2.696 88.804 ( 1.900 2.547 -2.584) 4.096 89.405 ( -9.105 -6.733 -7.704) 13.696 89.532 ( -2.584 -5.653 4.718) 7.804 90.366 ( -4.991 3.141 -0.018) 5.897 90.418 ( -4.307 3.366 2.213) 5.898 90.918 ( 5.622 12.432 -2.459) 13.864 91.055 ( 13.184 24.325 -7.820) 28.752 ======================= Grid point 134 (68/116) ======================= q-point: (-0.12 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 6.658 7.668 20.048) 22.473 0.730 ( -1.150 8.538 13.224) 15.782 1.339 ( 1.370 20.700 18.663) 27.905 1.558 ( 3.904 2.441 -0.380) 4.620 1.775 ( 0.862 -1.213 1.924) 2.432 1.810 ( -2.781 4.902 -2.880) 6.329 1.991 ( 3.641 -6.885 5.219) 9.376 2.079 ( -3.034 -4.284 2.415) 5.778 2.212 ( 6.964 3.610 1.295) 7.950 2.365 ( 2.795 2.099 -4.331) 5.566 2.468 ( 2.087 5.655 -0.922) 6.098 2.609 ( -0.236 2.291 5.800) 6.240 2.857 ( -1.823 -0.566 -1.195) 2.252 3.010 ( -0.531 -1.229 0.690) 1.507 3.036 ( -2.156 -4.510 -1.100) 5.119 3.105 ( 6.580 3.453 -0.319) 7.438 3.280 ( -0.100 -4.891 0.519) 4.920 3.516 ( 0.996 -0.975 2.128) 2.544 3.553 ( -1.211 2.123 2.739) 3.671 3.672 ( -1.004 -3.214 -0.220) 3.374 3.810 ( 0.604 -1.528 -2.295) 2.822 3.905 ( -1.519 -1.417 0.234) 2.090 3.995 ( -2.278 5.135 -0.703) 5.662 4.235 ( 2.483 9.394 -9.389) 13.512 4.286 ( -1.593 -0.777 1.698) 2.454 4.497 ( 6.374 -5.683 -3.088) 9.081 4.736 ( -5.392 -0.242 -5.259) 7.536 4.926 ( -1.759 -2.459 0.253) 3.034 5.291 ( 0.253 0.185 5.287) 5.296 5.516 ( -5.242 0.498 3.992) 6.608 5.784 ( -8.668 9.022 1.140) 12.563 5.928 ( -5.822 7.876 -1.388) 9.892 6.260 ( 2.074 -3.565 -2.666) 4.911 6.294 ( 5.360 -0.112 1.002) 5.454 6.511 ( -0.443 -3.679 -1.158) 3.883 6.991 ( 0.156 -1.894 -5.134) 5.475 7.567 ( -0.181 -1.318 1.730) 2.182 7.695 ( 0.320 -2.087 0.124) 2.115 7.782 ( -0.769 0.942 0.513) 1.320 7.953 ( -0.869 -0.817 -3.462) 3.662 8.042 ( -0.013 -2.140 -6.359) 6.709 8.136 ( 3.563 0.663 -6.605) 7.534 8.235 ( -3.251 -3.893 0.859) 5.144 8.360 ( -3.589 -4.039 -4.831) 7.248 8.513 ( -2.059 0.069 -1.208) 2.388 8.562 ( -0.691 1.770 -0.193) 1.910 8.660 ( 0.862 -2.572 2.709) 3.834 8.909 ( 0.127 -1.487 -2.918) 3.278 9.302 ( -0.632 1.511 4.280) 4.583 9.474 ( 0.558 -4.061 0.383) 4.117 9.613 ( 2.299 -0.811 2.170) 3.263 9.756 ( 2.840 -3.962 -1.100) 4.998 10.741 ( -2.074 0.500 -0.743) 2.260 10.879 ( -2.626 -1.062 -6.166) 6.786 11.208 ( -1.685 0.592 -1.463) 2.309 11.254 ( 2.186 -0.516 0.603) 2.326 11.302 ( -1.542 2.261 0.512) 2.784 11.493 ( 1.295 -2.333 3.513) 4.412 11.606 ( 0.276 0.258 -1.407) 1.457 11.634 ( 0.177 1.145 0.907) 1.471 12.193 ( -2.599 3.238 2.329) 4.760 12.637 ( -2.631 -2.085 -4.545) 5.651 12.855 ( 2.450 4.286 -0.709) 4.988 13.159 ( -0.391 -1.244 -1.500) 1.988 13.631 ( 5.288 -1.441 5.775) 7.961 13.718 ( 6.215 0.725 6.333) 8.903 14.206 ( 2.373 2.945 6.423) 7.453 14.288 ( 3.002 0.481 2.282) 3.801 21.408 ( -1.567 0.997 -1.540) 2.413 21.572 ( -6.791 -3.212 -3.178) 8.157 21.602 ( -1.759 0.953 0.013) 2.001 21.843 ( -0.197 -1.317 -2.440) 2.780 23.271 ( -0.427 1.780 0.750) 1.978 23.375 ( 1.161 4.469 -1.452) 4.841 23.581 ( -2.541 -0.156 -1.668) 3.044 23.725 ( 1.625 -0.990 2.417) 3.076 23.761 ( 1.162 0.353 2.979) 3.217 23.891 ( -2.022 -3.641 1.359) 4.381 24.027 ( 0.749 3.169 -2.829) 4.313 24.212 ( 6.480 5.640 -2.973) 9.090 24.679 ( 0.503 0.295 0.388) 0.700 24.708 ( 1.629 -0.315 1.186) 2.040 24.985 ( -0.253 1.340 2.848) 3.157 25.468 ( 7.994 -8.138 5.410) 12.625 25.916 ( 0.511 -0.204 -3.227) 3.273 25.929 ( 0.985 0.188 -0.842) 1.309 26.204 ( 1.575 2.143 0.406) 2.691 26.348 ( -5.059 6.833 0.369) 8.510 27.548 ( -1.033 0.698 0.201) 1.262 27.628 ( 1.437 0.400 0.162) 1.500 27.727 ( -0.370 0.279 0.918) 1.028 27.747 ( -0.168 0.124 -0.619) 0.653 29.569 ( 2.100 -0.560 2.482) 3.299 29.822 ( 5.763 -10.785 3.872) 12.826 30.267 ( -2.898 -3.403 4.335) 6.226 30.421 ( 3.315 -2.244 -3.891) 5.582 47.716 ( 3.557 3.799 -1.393) 5.388 47.803 ( 4.445 0.543 0.667) 4.528 47.932 ( -3.525 0.018 -1.553) 3.852 47.961 ( -3.250 0.074 0.075) 3.251 88.762 ( -1.188 1.672 -1.364) 2.464 88.816 ( 1.801 3.428 -1.681) 4.222 89.404 ( 14.610 -9.752 7.058) 18.930 89.566 ( -5.265 -8.789 9.809) 14.184 90.314 ( -1.718 2.813 0.605) 3.351 90.372 ( -3.250 2.519 1.271) 4.304 90.979 ( 3.883 13.611 -1.366) 14.220 91.205 ( 16.023 28.295 -11.140) 34.372 ======================= Grid point 135 (69/116) ======================= q-point: ( 0.00 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 2.246 14.739 8.879) 17.353 1.245 ( 12.408 9.758 18.349) 24.205 1.574 ( 3.264 -0.884 -4.085) 5.304 1.706 ( -1.749 0.864 -2.336) 3.043 1.811 ( -1.999 -2.843 4.182) 5.438 1.893 ( -0.620 -5.008 3.710) 6.263 2.113 ( 7.092 11.411 15.291) 20.355 2.129 ( 2.814 7.117 4.868) 9.070 2.257 ( -3.107 3.196 -0.818) 4.532 2.466 ( 4.761 0.875 -1.638) 5.111 2.554 ( -1.134 -0.391 5.269) 5.404 2.676 ( 1.584 -3.126 -3.327) 4.832 2.762 ( -6.843 -0.124 -3.672) 7.767 2.815 ( -6.488 -0.136 4.661) 7.990 3.080 ( 2.979 1.135 3.321) 4.603 3.188 ( -3.576 1.179 -1.592) 4.088 3.265 ( 4.057 1.134 -1.590) 4.502 3.420 ( -1.108 -4.660 0.778) 4.853 3.528 ( -7.248 -2.709 -2.610) 8.166 3.617 ( 0.018 -5.141 -4.711) 6.973 3.808 ( 5.064 4.299 -0.464) 6.658 3.916 ( 4.088 1.045 2.004) 4.671 4.033 ( 0.421 2.524 -1.954) 3.220 4.197 ( -2.659 -1.566 -2.650) 4.068 4.360 ( 3.862 -0.208 -0.222) 3.874 4.408 ( -5.127 -2.825 2.635) 6.420 4.646 ( -0.506 0.619 -4.971) 5.035 4.791 ( 1.997 -1.759 -0.937) 2.821 5.538 ( 1.274 7.239 5.344) 9.087 5.642 ( 3.021 6.200 3.014) 7.527 5.827 ( -2.219 7.704 -3.221) 8.639 5.969 ( 0.668 5.036 -5.375) 7.396 6.193 ( 2.398 -3.735 -1.709) 4.757 6.290 ( -4.323 -4.236 -1.998) 6.374 6.498 ( 3.750 0.247 6.920) 7.875 6.883 ( -2.336 -2.764 -4.128) 5.490 7.543 ( 0.109 -1.919 1.101) 2.215 7.675 ( 0.473 -1.016 -1.232) 1.665 7.752 ( -0.633 -2.264 -1.931) 3.042 7.864 ( -3.049 -4.719 -5.591) 7.926 7.927 ( -1.402 -0.223 -0.751) 1.606 8.087 ( -3.323 -3.512 -0.109) 4.836 8.159 ( 3.037 -0.041 -4.715) 5.608 8.217 ( -0.963 -1.904 -4.983) 5.420 8.464 ( -1.652 0.388 -1.500) 2.265 8.580 ( 1.052 -0.250 -2.044) 2.312 8.616 ( -2.355 -1.708 0.756) 3.006 8.822 ( -0.188 -3.298 -5.377) 6.310 9.381 ( 1.252 2.078 3.895) 4.589 9.461 ( -1.164 1.975 3.465) 4.155 9.639 ( 0.846 -2.822 2.258) 3.712 9.686 ( 1.951 -5.648 0.542) 5.999 10.709 ( -1.444 0.947 -2.402) 2.958 10.783 ( -0.707 -0.833 -4.520) 4.650 11.209 ( -2.173 3.411 -1.548) 4.330 11.274 ( 1.700 0.449 -2.614) 3.150 11.337 ( -1.267 1.539 4.274) 4.716 11.500 ( 0.674 -3.464 4.613) 5.808 11.584 ( -0.905 0.431 -1.295) 1.637 11.635 ( -0.647 -0.270 -1.725) 1.862 12.274 ( 0.423 4.031 2.903) 4.985 12.486 ( -2.820 -2.400 -3.900) 5.378 12.978 ( 2.187 2.835 0.711) 3.651 13.090 ( -2.185 -1.209 -2.098) 3.262 13.672 ( -1.872 0.386 4.801) 5.167 13.849 ( 9.090 -6.791 1.380) 11.430 14.355 ( 1.751 1.879 5.576) 6.139 14.394 ( 3.401 0.866 3.843) 5.204 21.381 ( -1.149 0.332 -1.868) 2.218 21.417 ( -2.509 -0.649 -2.543) 3.631 21.634 ( -0.162 0.944 0.956) 1.353 21.768 ( -0.743 -2.835 -2.622) 3.932 23.346 ( 1.259 4.525 1.241) 4.858 23.453 ( -2.281 5.313 -2.134) 6.163 23.566 ( 3.183 -1.991 2.163) 4.333 23.720 ( -1.991 -4.252 0.951) 4.790 23.809 ( -0.681 -0.246 1.772) 1.914 23.815 ( 0.731 -0.123 2.225) 2.346 24.083 ( 0.724 4.222 -2.527) 4.974 24.253 ( 0.730 -0.260 -6.710) 6.755 24.704 ( 0.997 0.489 0.193) 1.127 24.738 ( 1.840 -0.391 -0.004) 1.881 25.030 ( -1.488 0.912 3.880) 4.254 25.262 ( -7.985 -7.110 -0.388) 10.699 25.916 ( 0.251 1.022 -1.727) 2.022 25.932 ( -0.574 0.522 -0.972) 1.244 26.362 ( 1.301 4.700 3.442) 5.970 26.484 ( 8.205 2.078 0.449) 8.476 27.587 ( 0.772 2.139 1.439) 2.691 27.654 ( 0.568 0.400 0.304) 0.758 27.735 ( -0.342 0.221 0.381) 0.558 27.742 ( 0.037 -0.019 -0.420) 0.422 29.601 ( 0.349 -1.715 3.456) 3.874 29.666 ( -4.214 -7.279 4.643) 9.607 30.228 ( -1.299 0.299 1.340) 1.891 30.378 ( 2.675 -3.904 -2.670) 5.434 47.817 ( 2.109 2.285 -0.875) 3.230 47.838 ( -3.541 1.429 -0.684) 3.879 47.890 ( -1.390 -1.088 -0.234) 1.780 47.910 ( 2.746 -0.509 -1.226) 3.050 88.786 ( -1.798 4.574 0.830) 4.984 88.916 ( 2.872 5.654 -2.132) 6.691 89.306 ( -6.549 -12.515 5.165) 15.040 89.455 ( 12.427 -15.138 2.388) 19.730 90.370 ( -0.286 2.762 1.547) 3.178 90.390 ( -1.295 2.536 0.972) 3.009 91.301 ( 1.507 15.899 -1.575) 16.048 91.664 ( 8.572 10.343 -15.984) 20.879 ======================= Grid point 136 (70/116) ======================= q-point: ( 0.12 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 0.848 10.455 9.328) 14.037 1.454 ( -3.174 -0.467 -7.829) 8.460 1.561 ( 2.983 5.108 11.486) 12.919 1.718 ( 1.151 3.030 -0.767) 3.331 1.794 ( -3.377 -2.638 3.471) 5.515 1.838 ( -4.041 3.531 -4.083) 6.742 2.118 ( -4.584 4.497 -0.644) 6.453 2.294 ( 0.651 0.488 5.527) 5.586 2.364 ( 2.221 0.495 4.132) 4.717 2.405 ( -7.348 -2.241 -3.023) 8.255 2.593 ( 7.810 0.129 1.440) 7.943 2.696 ( -2.608 0.746 -1.103) 2.929 2.716 ( 5.811 1.198 10.626) 12.171 2.846 ( 2.119 -1.692 5.571) 6.196 3.048 ( -5.081 5.037 -6.917) 9.951 3.141 ( -0.137 0.061 1.490) 1.498 3.294 ( 0.792 -1.641 1.461) 2.335 3.408 ( -4.945 -3.414 0.043) 6.009 3.440 ( 1.168 -3.551 2.457) 4.474 3.563 ( -0.115 -6.208 -5.573) 8.343 3.906 ( 4.841 1.872 -1.354) 5.364 3.981 ( 4.647 4.714 -2.270) 6.998 4.055 ( 2.874 2.465 0.657) 3.843 4.120 ( -4.644 -2.846 -2.722) 6.089 4.325 ( -1.927 1.937 0.109) 2.735 4.485 ( 7.568 -2.475 1.749) 8.152 4.624 ( 0.407 3.862 -1.161) 4.053 4.825 ( 4.368 0.412 -3.185) 5.422 5.579 ( -1.708 5.512 5.071) 7.682 5.627 ( -5.305 3.571 0.846) 6.451 5.829 ( 2.483 6.135 -2.977) 7.257 5.943 ( 2.829 7.480 -4.396) 9.126 6.190 ( -1.158 -2.162 -1.509) 2.880 6.270 ( 3.545 -5.383 0.312) 6.453 6.620 ( 3.247 -0.627 5.066) 6.050 6.795 ( -3.309 -0.918 -3.583) 4.963 7.568 ( 0.807 -3.382 2.303) 4.170 7.662 ( -0.244 -3.031 -1.762) 3.515 7.715 ( -1.154 -3.111 -3.353) 4.717 7.767 ( -2.095 -2.917 -3.434) 4.969 7.900 ( -1.806 2.102 0.840) 2.896 8.040 ( -2.311 -3.315 0.563) 4.080 8.163 ( 2.387 0.301 -4.924) 5.480 8.177 ( 1.301 -2.247 -2.415) 3.546 8.450 ( 0.605 -0.038 0.925) 1.106 8.564 ( -0.199 1.846 -2.194) 2.874 8.606 ( -0.416 -6.018 1.570) 6.233 8.775 ( 0.195 -3.351 -4.207) 5.382 9.417 ( -1.864 -1.079 2.095) 3.005 9.474 ( 0.041 6.392 3.096) 7.102 9.642 ( -1.371 -4.749 0.308) 4.953 9.722 ( 0.966 -2.756 0.478) 2.959 10.676 ( -0.018 0.617 -1.418) 1.547 10.752 ( 1.008 -0.615 -2.127) 2.433 11.140 ( -3.984 3.995 -0.864) 5.707 11.261 ( -0.097 -0.165 -2.591) 2.598 11.357 ( -1.912 2.045 4.351) 5.174 11.548 ( 0.205 -3.614 3.103) 4.768 11.588 ( 1.471 -0.829 1.044) 1.986 11.602 ( -0.138 -0.743 -3.195) 3.283 12.338 ( 3.117 2.536 3.732) 5.484 12.429 ( -0.109 -0.361 -2.801) 2.826 13.011 ( 0.455 0.752 1.403) 1.655 13.016 ( -4.267 0.288 -2.374) 4.891 13.665 ( -3.475 2.200 2.876) 5.018 13.967 ( 5.667 -8.589 -1.837) 10.453 14.409 ( -0.056 2.096 2.493) 3.257 14.466 ( 1.908 0.343 1.477) 2.437 21.360 ( 0.478 -0.398 -0.947) 1.133 21.398 ( 2.028 -0.864 -0.824) 2.354 21.642 ( -0.490 -0.031 1.638) 1.710 21.729 ( -0.921 -2.042 -2.610) 3.439 23.343 ( -2.685 4.934 -0.128) 5.619 23.437 ( 2.599 4.608 0.644) 5.329 23.635 ( -2.604 -3.501 -1.554) 4.632 23.672 ( 2.599 -1.721 1.829) 3.614 23.830 ( -0.959 0.177 1.983) 2.210 23.845 ( 0.889 -0.729 1.867) 2.193 24.081 ( 0.528 3.031 -0.559) 3.128 24.179 ( -1.634 -0.020 -6.040) 6.258 24.717 ( 0.588 0.479 -0.265) 0.803 24.752 ( 1.000 -0.099 -1.792) 2.054 25.062 ( -1.739 -2.100 6.667) 7.203 25.132 ( -6.685 -3.836 0.982) 7.769 25.885 ( -2.468 0.251 -1.065) 2.700 25.894 ( -2.667 0.194 -0.533) 2.727 26.387 ( 0.039 7.750 0.838) 7.795 26.629 ( 9.147 -0.461 -2.570) 9.512 27.614 ( 0.755 2.036 1.226) 2.494 27.651 ( -0.741 0.927 -0.597) 1.328 27.728 ( -0.663 0.172 0.047) 0.687 27.747 ( 0.647 -0.076 0.014) 0.652 29.603 ( -6.736 -3.684 3.154) 8.300 29.628 ( -2.184 -2.860 3.540) 5.048 30.222 ( -0.846 1.141 0.827) 1.644 30.398 ( 2.667 -4.082 -2.287) 5.386 47.760 ( -4.175 0.820 -0.649) 4.304 47.793 ( -3.822 0.485 0.354) 3.869 47.903 ( 3.505 1.262 -0.791) 3.809 47.973 ( 4.407 -0.754 -0.594) 4.510 88.782 ( -0.599 3.714 1.653) 4.109 88.937 ( 2.603 7.043 -2.663) 7.967 89.229 ( -7.249 -10.993 3.010) 13.507 89.658 ( 10.487 -19.898 -0.752) 22.505 90.386 ( 0.839 3.038 1.196) 3.371 90.419 ( 2.981 2.234 1.462) 4.002 91.280 ( -1.998 15.016 -1.639) 15.237 91.583 ( 0.063 9.597 -13.715) 16.740 ======================= Grid point 137 (71/116) ======================= q-point: ( 0.25 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -4.005 4.945 -5.817) 8.621 1.403 ( -1.970 1.255 1.571) 2.815 1.534 ( -4.618 -0.329 -5.626) 7.286 1.626 ( -9.054 0.243 1.948) 9.264 1.774 ( -1.553 2.465 -3.899) 4.867 1.829 ( -3.595 1.686 5.868) 7.085 2.069 ( 1.245 4.660 -0.323) 4.834 2.107 ( -7.528 4.803 -2.378) 9.241 2.377 ( -2.318 -2.010 1.551) 3.438 2.530 ( 3.663 0.005 8.723) 9.461 2.666 ( -1.068 4.643 1.034) 4.875 2.695 ( 3.596 -0.465 -3.720) 5.195 2.817 ( 1.378 0.702 -2.994) 3.370 2.942 ( -0.415 -1.105 3.351) 3.553 2.973 ( 2.977 0.470 -1.060) 3.195 3.148 ( -0.859 -4.384 3.213) 5.503 3.297 ( -1.823 -3.182 -2.143) 4.247 3.401 ( 0.725 -2.393 4.092) 4.795 3.481 ( 2.230 -1.101 0.235) 2.498 3.522 ( 0.030 -5.297 -0.624) 5.334 3.894 ( -0.541 -4.688 -4.900) 6.803 3.998 ( -5.246 -1.161 -1.753) 5.652 4.034 ( 3.210 8.491 -3.814) 9.846 4.148 ( 6.830 3.972 3.146) 8.504 4.365 ( 5.000 4.030 0.543) 6.445 4.552 ( -0.690 5.168 -2.825) 5.930 4.664 ( 5.370 1.932 2.062) 6.068 4.869 ( 2.820 -0.031 -0.885) 2.956 5.544 ( -4.263 1.512 -1.238) 4.689 5.596 ( -1.328 2.108 4.021) 4.730 5.811 ( 0.627 5.188 -2.837) 5.946 5.956 ( 2.071 1.936 -3.523) 4.522 6.195 ( 2.799 1.885 0.557) 3.420 6.345 ( 3.467 -3.940 2.038) 5.630 6.671 ( -0.661 1.452 0.145) 1.602 6.741 ( -0.545 -0.002 0.497) 0.738 7.591 ( -0.856 -4.876 0.343) 4.963 7.637 ( 0.452 -4.204 -1.160) 4.384 7.691 ( 0.281 -1.348 0.594) 1.500 7.732 ( -0.214 -4.741 -0.103) 4.747 7.884 ( -1.630 3.803 1.599) 4.436 8.038 ( 0.237 -2.260 2.214) 3.173 8.149 ( 1.831 0.918 -3.610) 4.151 8.195 ( 1.792 -2.588 -0.399) 3.173 8.495 ( 2.281 -0.936 2.503) 3.513 8.546 ( -0.718 0.360 0.307) 0.860 8.623 ( 1.049 -5.111 0.841) 5.285 8.747 ( 0.859 -2.584 -3.160) 4.171 9.377 ( -3.072 -0.205 -0.227) 3.087 9.504 ( -0.679 3.854 2.423) 4.603 9.618 ( -0.801 -4.673 -1.081) 4.863 9.713 ( -1.570 -1.644 -1.194) 2.567 10.686 ( 1.838 0.749 0.384) 2.022 10.771 ( 2.121 -0.234 0.150) 2.139 11.084 ( -2.555 2.515 0.793) 3.671 11.220 ( -2.151 -1.786 -1.656) 3.249 11.363 ( -1.780 2.428 3.362) 4.513 11.557 ( -0.905 -2.475 -0.496) 2.682 11.580 ( 0.408 -0.980 -1.113) 1.538 11.631 ( 1.640 -1.730 1.224) 2.680 12.416 ( 2.326 1.296 -1.216) 2.927 12.447 ( 4.239 0.769 3.166) 5.347 12.912 ( -5.325 2.129 -2.062) 6.095 13.021 ( -0.915 -1.181 1.699) 2.262 13.621 ( -3.650 4.363 0.504) 5.711 14.005 ( 2.744 -8.256 -3.853) 9.515 14.401 ( -1.733 2.231 -0.959) 2.983 14.478 ( -0.363 -0.042 -1.634) 1.675 21.384 ( 2.721 -0.340 0.351) 2.764 21.452 ( 3.791 -2.434 1.431) 4.727 21.651 ( -0.239 -0.186 1.573) 1.602 21.690 ( -1.537 -0.688 -0.843) 1.883 23.302 ( -1.672 3.681 -0.164) 4.046 23.507 ( 3.613 6.355 1.486) 7.459 23.547 ( -2.873 -3.287 -2.715) 5.141 23.747 ( 0.685 -1.787 2.352) 3.032 23.813 ( -1.117 0.857 0.507) 1.497 23.876 ( 1.149 -1.719 0.782) 2.211 24.066 ( -1.531 1.907 -1.610) 2.928 24.115 ( -0.550 0.588 -2.133) 2.280 24.717 ( 0.120 0.200 -0.998) 1.025 24.740 ( 0.340 -0.237 -2.536) 2.570 25.026 ( -5.295 -0.745 2.145) 5.761 25.128 ( -2.420 -3.618 6.985) 8.230 25.825 ( -3.222 0.291 -0.727) 3.316 25.854 ( -1.838 -1.912 0.437) 2.688 26.386 ( 0.504 9.133 -1.805) 9.324 26.717 ( 6.205 -1.837 -4.737) 8.019 27.618 ( -1.028 1.191 -0.919) 1.823 27.636 ( -0.055 1.110 -0.100) 1.116 27.719 ( -0.390 0.614 0.205) 0.755 27.757 ( 0.375 0.139 0.282) 0.490 29.516 ( -6.698 -0.737 2.533) 7.198 29.612 ( -3.606 -3.052 2.505) 5.348 30.214 ( -0.941 2.125 0.463) 2.370 30.416 ( 2.071 -4.080 -2.150) 5.055 47.696 ( -2.989 0.881 -0.458) 3.150 47.736 ( -3.376 -0.207 0.350) 3.401 47.957 ( 3.301 1.763 -0.017) 3.742 48.032 ( 3.425 -0.794 -0.459) 3.546 88.785 ( -0.641 3.188 0.615) 3.310 88.951 ( 2.152 7.453 -2.794) 8.245 89.144 ( -5.261 -8.396 1.568) 10.031 89.772 ( 6.305 -21.171 -3.584) 22.379 90.432 ( 3.065 4.733 1.726) 5.897 90.497 ( 4.204 2.219 1.994) 5.155 91.212 ( -3.575 13.473 -2.530) 14.167 91.426 ( -3.777 9.382 -11.200) 15.090 ======================= Grid point 138 (72/116) ======================= q-point: (-0.62 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -1.086 3.284 -7.048) 7.851 1.299 ( -0.845 4.619 -6.987) 8.418 1.472 ( -6.244 4.232 -0.086) 7.543 1.525 ( 0.283 -1.159 -1.546) 1.953 1.703 ( -4.506 -7.140 1.412) 8.560 1.776 ( -6.697 -0.434 3.742) 7.684 2.059 ( 0.585 8.083 0.373) 8.112 2.129 ( 3.938 3.250 -0.151) 5.109 2.327 ( -4.953 2.061 1.506) 5.572 2.582 ( -6.010 5.940 -7.336) 11.190 2.615 ( 1.154 3.473 -2.218) 4.279 2.688 ( 0.506 0.168 1.109) 1.230 2.809 ( -0.320 -0.983 -2.420) 2.631 2.941 ( -1.947 -2.779 -0.830) 3.494 3.017 ( 2.466 -2.234 0.649) 3.390 3.102 ( -6.209 -1.408 -2.620) 6.884 3.248 ( 0.736 -2.633 -2.057) 3.422 3.414 ( -0.966 -0.831 1.236) 1.775 3.525 ( -0.011 -3.635 2.351) 4.329 3.549 ( 2.358 -3.823 1.692) 4.800 3.853 ( -0.594 -0.110 -1.227) 1.367 3.924 ( -1.304 -2.880 -1.422) 3.467 4.044 ( 2.770 10.578 -3.482) 11.476 4.320 ( 6.120 -1.734 4.948) 8.059 4.421 ( 0.932 4.500 -3.361) 5.693 4.524 ( 3.317 7.591 1.101) 8.357 4.752 ( 3.138 4.188 -0.407) 5.250 4.882 ( -0.587 2.308 0.537) 2.441 5.462 ( -4.010 -0.135 -1.639) 4.334 5.629 ( 0.659 -3.449 3.278) 4.804 5.818 ( 2.951 1.033 -2.119) 3.777 5.938 ( 0.307 -2.350 -3.315) 4.075 6.257 ( 2.143 5.690 1.594) 6.285 6.427 ( 3.752 -2.677 3.638) 5.872 6.659 ( 0.939 3.419 -1.162) 3.731 6.740 ( -1.725 0.709 1.454) 2.365 7.573 ( -0.910 -4.083 0.115) 4.185 7.642 ( 0.492 -2.184 -0.329) 2.262 7.721 ( 1.947 -2.807 2.271) 4.102 7.763 ( 1.306 -6.161 3.224) 7.075 7.882 ( -0.529 3.721 1.918) 4.220 8.063 ( 0.343 -1.989 0.292) 2.039 8.169 ( 2.479 0.943 1.285) 2.947 8.221 ( 1.078 -2.558 0.983) 2.945 8.539 ( -0.710 -1.383 2.514) 2.956 8.561 ( 2.276 -0.379 0.985) 2.509 8.654 ( 0.922 -2.738 1.831) 3.420 8.741 ( 1.679 -1.462 -2.358) 3.243 9.335 ( -1.358 0.068 -0.491) 1.445 9.493 ( -2.248 -0.300 0.480) 2.318 9.599 ( 0.068 -3.296 -1.728) 3.722 9.657 ( -2.655 -1.657 -2.758) 4.171 10.737 ( 2.814 1.052 1.615) 3.411 10.814 ( 2.040 0.153 1.476) 2.522 11.076 ( -0.605 0.952 2.609) 2.843 11.172 ( -1.631 -2.671 -1.256) 3.372 11.369 ( -1.391 2.394 3.188) 4.223 11.531 ( -0.513 -1.151 -1.823) 2.216 11.566 ( -1.339 -1.090 -0.701) 1.864 11.652 ( 0.322 -1.766 -0.359) 1.830 12.451 ( 3.294 2.461 -0.623) 4.159 12.532 ( 0.874 0.249 2.350) 2.520 12.838 ( -1.151 2.961 0.411) 3.203 13.016 ( -1.661 -2.520 1.690) 3.459 13.573 ( -1.835 5.711 -0.365) 6.010 13.990 ( 1.025 -7.616 -5.284) 9.326 14.339 ( -2.949 2.017 -3.717) 5.155 14.425 ( -2.178 -0.517 -4.930) 5.415 21.445 ( 3.292 0.138 1.459) 3.604 21.523 ( 1.854 -2.737 1.749) 3.740 21.659 ( 0.550 0.219 0.692) 0.911 21.691 ( 0.341 -0.815 3.580) 3.688 23.288 ( -0.335 3.021 0.343) 3.059 23.474 ( -1.422 -0.114 -3.537) 3.814 23.593 ( 2.845 2.996 2.894) 5.045 23.729 ( -1.783 0.378 -0.386) 1.863 23.810 ( -0.993 -0.011 0.149) 1.004 23.903 ( 0.843 -1.567 0.760) 1.935 24.040 ( 0.427 1.306 -0.688) 1.537 24.093 ( -0.673 0.943 -0.968) 1.510 24.703 ( -0.295 -0.106 -1.395) 1.430 24.719 ( 0.201 -0.442 -2.606) 2.651 24.970 ( -4.104 1.487 1.794) 4.719 25.124 ( -5.315 -3.112 4.888) 7.863 25.783 ( -1.404 0.059 0.344) 1.447 25.854 ( 0.441 -3.445 1.899) 3.959 26.371 ( 0.711 8.584 -3.016) 9.126 26.737 ( 3.140 -3.148 -6.807) 8.130 27.590 ( -0.695 1.050 -1.302) 1.812 27.629 ( -0.257 0.225 -0.981) 1.038 27.722 ( -0.004 1.137 0.780) 1.378 27.764 ( 0.083 0.214 0.333) 0.404 29.447 ( -4.653 0.963 2.609) 5.421 29.567 ( -3.833 -2.585 1.230) 4.784 30.202 ( -0.934 2.960 0.379) 3.127 30.419 ( 1.071 -3.858 -2.611) 4.780 47.657 ( -1.321 0.920 -0.172) 1.619 47.693 ( -2.079 -0.037 0.040) 2.079 48.004 ( 2.096 1.613 0.549) 2.701 48.071 ( 1.927 -0.693 -0.468) 2.100 88.772 ( -1.039 2.606 -0.491) 2.848 88.929 ( -1.001 3.686 -3.933) 5.482 89.124 ( 0.628 -3.055 2.882) 4.247 89.795 ( 2.404 -20.113 -6.110) 21.158 90.510 ( 3.242 6.163 3.008) 7.585 90.579 ( 2.563 3.003 2.627) 4.742 91.131 ( -1.888 12.016 -4.047) 12.819 91.264 ( -2.602 9.547 -10.257) 14.252 ======================= Grid point 139 (73/116) ======================= q-point: (-0.50 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 4.096 5.530 -1.857) 7.128 1.251 ( -6.026 9.669 -1.814) 11.537 1.443 ( 9.836 4.146 0.277) 10.678 1.563 ( 3.374 1.926 -2.956) 4.881 1.653 ( -2.579 -8.097 0.668) 8.524 1.709 ( -5.851 -0.436 4.106) 7.161 2.043 ( -3.927 2.498 -1.508) 4.892 2.160 ( 3.398 -5.961 -5.543) 8.821 2.309 ( -2.023 9.719 5.088) 11.155 2.369 ( -5.242 5.713 -11.253) 13.666 2.507 ( -6.027 1.504 -12.370) 13.842 2.677 ( -2.485 4.065 -4.936) 6.860 2.755 ( -3.773 0.933 4.376) 5.852 2.868 ( -3.884 -4.962 2.192) 6.672 3.001 ( -2.816 0.274 -1.581) 3.241 3.082 ( 4.054 -3.094 0.744) 5.154 3.269 ( 1.170 -2.363 0.673) 2.721 3.406 ( -1.244 0.765 0.638) 1.593 3.543 ( 0.200 -0.840 4.363) 4.447 3.631 ( 3.495 -1.903 1.880) 4.401 3.844 ( -0.010 4.183 1.863) 4.579 3.921 ( 2.050 -3.966 -1.189) 4.620 4.057 ( 2.702 9.622 -3.883) 10.723 4.247 ( -7.135 0.216 -5.643) 9.100 4.468 ( 0.391 6.648 2.210) 7.016 4.677 ( 6.515 2.032 4.542) 8.197 4.764 ( 2.687 3.310 -1.848) 4.646 4.873 ( -0.689 3.755 -0.365) 3.835 5.387 ( -4.663 -1.669 0.693) 5.001 5.653 ( -1.511 -7.062 1.984) 7.489 5.850 ( 3.165 -4.134 -3.235) 6.129 5.922 ( 3.234 -4.308 -3.578) 6.467 6.292 ( -0.528 7.622 3.589) 8.441 6.498 ( -0.323 3.209 1.082) 3.402 6.684 ( -0.309 -0.891 1.450) 1.729 6.727 ( 2.455 0.757 -0.037) 2.569 7.561 ( -1.232 -1.317 0.936) 2.032 7.655 ( 1.338 -0.532 -0.293) 1.469 7.791 ( 2.360 -5.169 3.104) 6.475 7.810 ( 1.505 -4.703 2.251) 5.426 7.909 ( 1.180 1.302 2.231) 2.840 8.057 ( 0.326 -1.820 -1.436) 2.341 8.235 ( 1.895 -1.819 3.467) 4.350 8.248 ( 0.125 -2.585 2.078) 3.319 8.557 ( -0.168 -0.170 3.147) 3.156 8.607 ( 1.853 -0.396 1.118) 2.200 8.679 ( -0.076 0.830 1.676) 1.872 8.752 ( 2.286 0.011 -1.948) 3.003 9.325 ( 0.086 0.275 0.071) 0.296 9.449 ( -2.563 -2.898 -0.995) 3.995 9.579 ( -1.323 -2.383 -2.331) 3.587 9.594 ( -0.126 -3.320 -2.595) 4.216 10.792 ( 1.797 1.063 1.310) 2.465 10.864 ( 2.120 -0.344 1.699) 2.739 11.110 ( 0.695 -0.084 3.848) 3.911 11.149 ( 0.434 -2.198 -1.479) 2.685 11.379 ( -1.399 2.103 3.293) 4.150 11.505 ( -2.141 -1.587 -0.425) 2.699 11.531 ( -0.563 1.306 -1.477) 2.050 11.640 ( 0.221 -1.040 -2.349) 2.579 12.477 ( -3.376 3.297 0.534) 4.750 12.528 ( 1.426 3.001 0.715) 3.399 12.901 ( 5.058 0.319 3.348) 6.075 13.002 ( -1.710 -2.554 0.996) 3.231 13.566 ( 0.409 4.907 1.326) 5.100 13.937 ( -0.430 -7.038 -6.792) 9.790 14.242 ( -3.545 1.675 -4.901) 6.277 14.322 ( -2.669 -0.738 -6.827) 7.367 21.501 ( 0.855 0.516 1.864) 2.114 21.540 ( 0.380 0.448 0.324) 0.671 21.698 ( 0.443 -1.705 4.061) 4.427 21.753 ( 2.935 -1.898 2.621) 4.369 23.293 ( 0.291 2.528 0.763) 2.657 23.417 ( -1.600 -0.180 -3.230) 3.609 23.655 ( 1.628 0.624 1.898) 2.578 23.711 ( -0.424 0.018 0.239) 0.488 23.797 ( -0.370 2.383 0.666) 2.502 23.890 ( -2.823 -0.836 -0.389) 2.970 24.058 ( 1.977 2.510 -1.145) 3.395 24.093 ( 2.699 1.135 -0.769) 3.027 24.686 ( -0.321 -0.207 -0.912) 0.988 24.696 ( -0.050 -0.342 -2.215) 2.241 24.933 ( -2.538 2.154 2.662) 4.262 25.071 ( -4.742 -1.479 2.401) 5.517 25.790 ( 0.916 0.205 1.717) 1.957 25.889 ( 0.972 -3.477 1.912) 4.086 26.354 ( 0.399 6.235 -2.173) 6.615 26.687 ( 0.261 -4.325 -8.939) 9.934 27.575 ( 0.269 0.882 -0.992) 1.354 27.613 ( 0.026 -0.252 -1.663) 1.682 27.730 ( -0.210 1.006 1.095) 1.502 27.767 ( 0.007 0.167 0.193) 0.255 29.422 ( -2.090 1.263 3.593) 4.344 29.522 ( -2.468 -1.700 0.460) 3.032 30.195 ( -0.524 3.069 0.832) 3.222 30.402 ( 0.558 -3.418 -3.369) 4.832 47.651 ( 0.556 0.897 0.106) 1.061 47.672 ( -0.335 0.519 -0.263) 0.671 48.033 ( 0.541 1.282 0.786) 1.599 48.083 ( 0.117 -0.462 -0.619) 0.782 88.748 ( -1.040 1.900 -0.511) 2.226 88.868 ( -0.883 1.038 -4.077) 4.298 89.198 ( 2.761 -1.247 4.999) 5.846 89.729 ( -1.598 -17.158 -9.040) 19.460 90.570 ( -1.207 6.496 4.251) 7.856 90.610 ( -2.283 3.929 2.632) 5.252 91.083 ( 1.616 11.575 -5.291) 12.829 91.181 ( 6.211 10.746 -10.249) 16.096 ======================= Grid point 140 (74/116) ======================= q-point: (-0.38 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -5.204 14.976 -2.263) 16.016 1.211 ( 4.931 6.925 5.816) 10.300 1.385 ( -15.069 7.508 -11.503) 20.390 1.596 ( -2.665 -2.375 1.063) 3.724 1.688 ( 10.752 -0.243 1.448) 10.852 1.781 ( 7.201 -5.580 4.766) 10.281 1.935 ( -5.108 2.702 0.248) 5.784 2.087 ( -7.623 0.415 -10.606) 13.068 2.190 ( 2.052 -2.469 -3.334) 4.628 2.283 ( -1.224 7.154 -8.950) 11.523 2.455 ( 5.326 7.217 4.124) 9.873 2.641 ( 3.679 3.413 -0.330) 5.029 2.749 ( -3.997 -0.174 5.407) 6.726 2.862 ( -2.438 -6.989 5.354) 9.135 2.939 ( -1.822 2.638 -2.565) 4.105 3.150 ( 2.836 -4.009 -0.303) 4.920 3.268 ( -2.577 -1.273 0.421) 2.905 3.418 ( 2.683 -0.733 1.929) 3.385 3.590 ( -0.109 4.378 2.143) 4.875 3.672 ( 1.546 1.027 -0.334) 1.886 3.900 ( 0.962 1.503 3.723) 4.129 3.934 ( -0.408 -2.434 -1.708) 3.001 4.046 ( 1.653 5.568 -3.108) 6.587 4.121 ( 0.111 2.211 -3.679) 4.294 4.448 ( -4.914 6.396 2.549) 8.459 4.655 ( -6.369 5.267 -2.433) 8.615 4.839 ( 3.591 4.963 -2.248) 6.525 4.906 ( 3.936 -7.198 1.325) 8.310 5.320 ( -5.024 -1.093 1.622) 5.391 5.622 ( -4.323 -4.101 2.195) 6.350 5.858 ( 5.054 -8.374 -6.046) 11.499 5.977 ( 5.164 -4.439 -1.868) 7.062 6.311 ( -2.284 8.711 4.172) 9.924 6.436 ( -6.134 6.875 -0.172) 9.215 6.627 ( -4.259 -0.808 -2.270) 4.894 6.839 ( 6.635 -4.271 1.635) 8.058 7.554 ( -0.941 0.918 1.362) 1.893 7.670 ( 1.084 0.216 -0.934) 1.447 7.810 ( -1.041 -3.563 1.041) 3.855 7.888 ( 3.916 -6.298 1.707) 7.610 7.947 ( 1.170 -0.308 0.742) 1.420 8.068 ( 2.666 -1.864 -0.797) 3.349 8.252 ( -1.934 -3.066 1.269) 3.841 8.287 ( 1.101 -4.573 2.215) 5.199 8.585 ( -0.357 0.724 1.880) 2.046 8.634 ( -0.365 -0.206 2.145) 2.185 8.678 ( -0.561 4.376 -1.179) 4.566 8.796 ( 4.855 1.025 -0.284) 4.970 9.328 ( -0.571 1.855 0.738) 2.077 9.399 ( -1.802 -4.452 -1.072) 4.921 9.536 ( -0.569 -2.900 -1.612) 3.366 9.592 ( 1.648 -4.999 -1.441) 5.457 10.814 ( 0.082 1.237 0.105) 1.244 10.909 ( 1.988 -1.489 0.022) 2.483 11.153 ( 0.957 -1.913 0.500) 2.197 11.167 ( 2.583 -0.148 1.224) 2.862 11.385 ( -1.794 1.160 3.650) 4.230 11.442 ( -4.179 -0.411 -0.506) 4.230 11.546 ( 2.243 2.534 0.777) 3.472 11.625 ( 1.200 0.163 -2.877) 3.122 12.402 ( -5.399 5.545 1.555) 7.894 12.581 ( 2.764 1.752 1.221) 3.492 12.975 ( -1.388 -1.157 -0.831) 1.989 13.020 ( 4.642 -1.123 2.666) 5.470 13.600 ( 0.159 2.386 3.506) 4.244 13.830 ( -3.268 -5.562 -9.607) 11.572 14.149 ( -2.260 1.988 -2.202) 3.730 14.239 ( -0.319 -0.490 -4.050) 4.092 21.502 ( -1.606 1.350 0.943) 2.300 21.564 ( 1.318 0.980 0.419) 1.695 21.726 ( -1.743 -2.557 2.670) 4.087 21.813 ( 1.933 -2.409 0.852) 3.204 23.308 ( 0.225 2.175 0.840) 2.342 23.371 ( -0.333 -0.112 -2.055) 2.085 23.671 ( -0.649 -0.354 0.771) 1.068 23.706 ( -0.979 -1.123 -0.247) 1.510 23.796 ( -2.836 1.529 0.411) 3.248 23.854 ( 0.155 0.410 1.857) 1.908 24.072 ( 2.309 4.207 -2.239) 5.295 24.158 ( 6.417 3.056 -2.608) 7.571 24.674 ( -0.082 0.021 -0.819) 0.824 24.680 ( -0.122 -0.171 -0.574) 0.611 24.964 ( 1.253 1.457 6.341) 6.625 25.038 ( -1.136 0.583 1.706) 2.131 25.837 ( 2.041 0.390 2.402) 3.177 25.911 ( 0.767 -2.194 -0.261) 2.339 26.337 ( -1.556 3.384 -0.078) 3.725 26.581 ( -1.612 -4.497 -9.807) 10.909 27.577 ( 0.812 0.506 -0.666) 1.166 27.598 ( 0.376 -0.260 -1.722) 1.781 27.734 ( -0.598 0.702 1.136) 1.463 27.767 ( -0.145 0.116 -0.063) 0.196 29.453 ( 0.480 -0.075 5.472) 5.493 29.502 ( -0.470 -0.919 0.519) 1.155 30.203 ( -0.060 2.177 1.767) 2.805 30.378 ( 0.942 -3.071 -3.734) 4.926 47.677 ( 2.204 0.734 0.146) 2.328 47.680 ( 2.011 1.231 -0.344) 2.383 48.036 ( -0.997 0.877 0.662) 1.484 48.063 ( -1.733 -0.122 -0.889) 1.951 88.739 ( 0.193 1.788 0.881) 2.003 88.835 ( 1.244 0.733 -3.180) 3.493 89.286 ( 0.557 -3.778 6.261) 7.334 89.566 ( -5.860 -11.998 -11.354) 17.528 90.534 ( -6.729 4.980 2.806) 8.829 90.568 ( -5.624 5.041 2.602) 7.988 91.098 ( 6.501 12.882 -4.747) 15.190 91.262 ( 14.833 12.433 -10.027) 21.798 ======================= Grid point 141 (75/116) ======================= q-point: (-0.25 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( -12.908 11.195 -2.373) 17.250 0.999 ( -6.421 20.077 -4.085) 21.471 1.389 ( 6.341 5.178 3.448) 8.883 1.597 ( 2.122 -5.280 2.112) 6.070 1.772 ( 0.529 -7.015 -0.193) 7.037 1.820 ( -5.099 11.511 2.476) 12.830 1.923 ( -1.660 -3.623 7.376) 8.383 2.032 ( 4.414 4.556 0.637) 6.376 2.197 ( 2.370 3.285 -1.178) 4.218 2.312 ( 9.645 2.524 -3.705) 10.636 2.520 ( 2.570 6.854 -0.771) 7.360 2.701 ( -7.509 0.930 4.726) 8.921 2.826 ( 10.745 -2.155 6.784) 12.889 2.864 ( -0.743 -4.025 -0.028) 4.093 2.933 ( 0.198 0.279 3.938) 3.952 3.142 ( -1.490 -1.251 -2.267) 2.988 3.232 ( -0.452 -0.005 -0.788) 0.909 3.492 ( 2.526 -0.806 -1.688) 3.143 3.577 ( -0.330 1.357 0.440) 1.464 3.679 ( -0.629 0.613 -1.001) 1.332 3.850 ( -2.484 2.756 -2.398) 4.418 3.910 ( -2.770 -0.490 0.171) 2.819 4.116 ( 2.192 3.245 -1.721) 4.277 4.153 ( 6.285 -2.725 2.524) 7.300 4.397 ( -2.946 2.818 1.720) 4.425 4.487 ( -8.644 3.294 -3.491) 9.887 4.844 ( -1.312 -0.280 -4.584) 4.776 4.917 ( -2.888 -6.623 -0.233) 7.229 5.287 ( 0.643 5.010 2.031) 5.444 5.580 ( -2.893 1.856 2.238) 4.102 5.903 ( 5.418 -6.687 -4.134) 9.548 6.026 ( 3.615 -3.507 -3.280) 6.011 6.268 ( -5.212 3.427 -0.963) 6.311 6.359 ( -4.844 11.707 5.117) 13.664 6.521 ( -5.204 -2.758 -2.967) 6.595 6.928 ( 3.539 -4.985 -0.799) 6.166 7.552 ( -0.954 0.780 0.986) 1.578 7.671 ( 0.658 0.072 -1.385) 1.535 7.797 ( -1.099 -1.887 0.248) 2.198 7.947 ( 2.600 -8.224 -0.999) 8.683 7.960 ( 0.523 -0.037 -0.705) 0.878 8.117 ( 3.979 -1.359 -1.349) 4.416 8.211 ( -3.418 -3.021 -0.321) 4.573 8.312 ( 0.276 -5.293 0.003) 5.300 8.568 ( -1.903 0.331 -0.885) 2.125 8.623 ( -1.528 1.543 -1.910) 2.892 8.663 ( -0.264 4.050 0.304) 4.070 8.872 ( 4.061 -0.591 -1.569) 4.393 9.318 ( -0.835 2.050 0.819) 2.361 9.390 ( -0.303 -2.697 2.618) 3.771 9.535 ( 1.296 -3.033 0.286) 3.311 9.617 ( 2.359 -6.294 -0.367) 6.732 10.800 ( -1.044 1.532 -1.253) 2.238 10.912 ( 0.279 -2.263 -3.667) 4.318 11.183 ( 2.000 -0.877 0.833) 2.337 11.215 ( 2.671 -0.391 -0.520) 2.749 11.376 ( -3.370 0.934 1.054) 3.652 11.404 ( -1.008 -0.492 4.381) 4.522 11.604 ( 2.850 1.739 1.784) 3.785 11.622 ( 1.509 0.811 -2.367) 2.922 12.339 ( -4.637 6.069 1.464) 7.777 12.623 ( 0.702 -1.616 0.086) 1.764 12.937 ( -0.192 2.095 -3.045) 3.701 13.101 ( 2.909 -2.068 1.087) 3.731 13.607 ( -2.091 0.647 -0.313) 2.211 13.694 ( -2.836 -1.304 -1.782) 3.595 14.157 ( 1.784 2.099 3.925) 4.795 14.237 ( 2.008 -0.070 0.442) 2.058 21.476 ( -1.865 1.598 -0.625) 2.535 21.576 ( -0.429 -0.813 -0.161) 0.933 21.683 ( -4.265 -0.904 -0.517) 4.390 21.827 ( -0.058 -2.587 -0.897) 2.739 23.310 ( -0.166 2.134 0.101) 2.143 23.382 ( 2.599 0.444 0.026) 2.637 23.658 ( -2.621 -0.347 0.222) 2.653 23.681 ( -0.641 -0.918 0.267) 1.151 23.758 ( -1.447 1.738 0.808) 2.401 23.865 ( -2.026 -1.282 1.732) 2.958 24.098 ( 3.413 4.905 -2.983) 6.679 24.232 ( 6.757 2.992 -4.607) 8.708 24.674 ( 0.420 0.129 0.174) 0.473 24.679 ( 0.410 0.063 0.147) 0.440 25.017 ( -0.034 2.597 1.790) 3.155 25.150 ( 7.598 -1.237 9.057) 11.886 25.889 ( 1.722 -0.039 1.403) 2.221 25.918 ( 1.738 -1.048 -1.953) 2.816 26.288 ( -3.786 2.343 -0.764) 4.518 26.473 ( -2.012 -1.858 -4.644) 5.391 27.573 ( -0.153 0.438 -0.877) 0.993 27.606 ( 1.511 0.014 -0.179) 1.521 27.734 ( -0.620 0.617 0.920) 1.269 27.761 ( -0.419 0.136 -0.238) 0.501 29.514 ( 0.967 -0.731 1.658) 2.054 29.541 ( 2.294 -3.353 6.775) 7.900 30.223 ( -0.268 0.588 2.484) 2.566 30.363 ( 1.739 -3.122 -3.531) 5.023 47.715 ( 3.530 1.413 -0.924) 3.913 47.736 ( 4.256 0.732 0.285) 4.328 48.011 ( -3.299 0.229 -1.120) 3.492 48.013 ( -2.456 0.412 0.073) 2.492 88.782 ( 2.777 2.437 2.363) 4.386 88.844 ( 2.904 1.679 -1.967) 3.889 89.281 ( -6.253 -5.711 -2.109) 8.727 89.397 ( -3.425 -7.896 -0.109) 8.607 90.446 ( -6.096 4.731 1.671) 7.895 90.491 ( -6.111 3.814 2.159) 7.520 91.181 ( 7.610 14.577 -3.164) 16.746 91.435 ( 18.767 13.400 -11.888) 25.944 ======================= Grid point 142 (76/116) ======================= q-point: (-0.12 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 5.391 13.386 12.839) 19.316 0.993 ( 0.400 18.237 4.993) 18.912 1.484 ( 6.505 0.312 -0.944) 6.581 1.695 ( 2.634 -4.861 6.446) 8.492 1.807 ( -1.417 1.128 1.248) 2.200 1.845 ( 3.894 5.229 9.874) 11.833 1.916 ( -4.379 2.980 4.433) 6.907 2.089 ( 0.833 6.422 2.598) 6.977 2.265 ( 3.659 2.106 1.662) 4.537 2.408 ( 5.179 1.578 -3.804) 6.617 2.551 ( -0.145 2.935 1.563) 3.328 2.642 ( -2.403 0.658 3.356) 4.180 2.845 ( -1.336 -0.380 -0.798) 1.602 2.936 ( -5.850 -3.911 1.029) 7.112 2.995 ( 3.029 -0.467 4.439) 5.394 3.163 ( 4.294 -1.057 2.036) 4.868 3.228 ( 2.430 2.946 -2.379) 4.499 3.451 ( -1.212 -0.949 -3.340) 3.678 3.606 ( 0.639 -3.992 -0.896) 4.141 3.646 ( -0.547 -0.804 -1.657) 1.921 3.804 ( -1.703 3.939 -1.640) 4.595 3.872 ( -1.239 -0.971 0.756) 1.746 4.074 ( -1.306 1.453 -4.546) 4.948 4.243 ( -1.238 -4.350 2.890) 5.367 4.365 ( -0.493 3.917 -6.542) 7.641 4.408 ( 0.515 -1.907 3.903) 4.374 4.730 ( -4.166 -0.535 -4.229) 5.961 4.830 ( -5.944 -5.789 -0.648) 8.322 5.401 ( 7.955 9.788 4.352) 13.342 5.579 ( 0.198 5.783 2.347) 6.244 5.908 ( -1.686 1.948 -2.399) 3.520 6.015 ( 0.910 0.851 -6.156) 6.281 6.193 ( -0.784 -2.455 -1.979) 3.250 6.367 ( -2.572 8.428 5.015) 10.139 6.420 ( -3.099 -5.101 0.089) 5.970 6.938 ( 0.225 -4.204 -3.135) 5.249 7.543 ( -0.832 -0.607 0.482) 1.137 7.673 ( 0.976 -0.170 -1.043) 1.439 7.779 ( -0.979 -1.774 -0.722) 2.151 7.941 ( -0.514 -4.048 -3.564) 5.418 7.953 ( -0.268 -3.587 -1.441) 3.875 8.147 ( -3.866 -3.860 0.099) 5.464 8.153 ( 3.762 0.411 -4.800) 6.112 8.285 ( -1.451 -3.762 -3.488) 5.331 8.517 ( -2.287 0.483 -2.099) 3.142 8.587 ( -0.063 0.223 -1.936) 1.950 8.649 ( -1.665 2.119 -0.079) 2.696 8.874 ( 0.687 -2.502 -5.051) 5.678 9.332 ( 0.574 1.704 2.445) 3.035 9.428 ( 0.031 -0.063 4.725) 4.726 9.581 ( 2.551 -2.584 2.224) 4.258 9.654 ( 2.053 -6.708 0.148) 7.016 10.759 ( -1.693 1.393 -2.221) 3.121 10.853 ( -1.310 -1.590 -5.583) 5.951 11.223 ( 1.645 0.730 -0.421) 1.848 11.247 ( 2.436 -0.135 -0.272) 2.455 11.342 ( -2.266 1.888 1.148) 3.165 11.445 ( 0.054 -2.531 5.138) 5.728 11.616 ( 0.060 0.690 -2.158) 2.267 11.647 ( 0.528 0.249 0.211) 0.621 12.279 ( -3.378 5.585 1.029) 6.608 12.581 ( -3.433 -3.890 -3.460) 6.236 12.936 ( 2.710 4.168 -1.232) 5.122 13.126 ( 0.052 -2.293 -1.202) 2.590 13.621 ( 3.050 0.248 3.316) 4.512 13.706 ( 2.009 -1.672 4.321) 5.050 14.254 ( 2.825 2.024 6.747) 7.590 14.301 ( 3.154 0.644 3.458) 4.724 21.429 ( -2.031 1.192 -2.098) 3.154 21.514 ( -5.311 -2.571 -2.477) 6.400 21.634 ( -0.823 2.262 0.121) 2.410 21.803 ( -0.784 -2.802 -2.038) 3.552 23.317 ( 0.893 3.072 0.462) 3.232 23.440 ( 3.673 1.681 0.614) 4.086 23.587 ( -4.307 1.107 -1.665) 4.749 23.699 ( 0.460 -1.710 2.711) 3.238 23.769 ( 0.576 0.623 2.686) 2.817 23.839 ( -2.409 -2.031 0.716) 3.231 24.102 ( 1.314 4.521 -3.866) 6.092 24.274 ( 4.378 0.831 -5.973) 7.452 24.686 ( 0.847 0.381 0.233) 0.958 24.702 ( 1.534 -0.298 1.009) 1.860 25.027 ( -0.876 3.103 1.660) 3.626 25.320 ( 1.618 -7.253 3.817) 8.355 25.914 ( 1.716 0.125 -1.572) 2.330 25.932 ( 1.856 0.033 -1.731) 2.538 26.269 ( 2.798 4.280 2.211) 5.570 26.430 ( -1.499 1.677 1.412) 2.655 27.569 ( 0.053 1.482 0.554) 1.583 27.633 ( 1.437 -0.028 0.405) 1.493 27.734 ( -0.258 0.460 0.607) 0.804 27.750 ( -0.478 0.163 -0.320) 0.598 29.555 ( 1.398 -0.885 2.562) 3.050 29.639 ( 0.679 -7.292 6.526) 9.810 30.234 ( -1.270 -0.317 2.129) 2.499 30.365 ( 2.363 -3.511 -3.091) 5.240 47.769 ( 4.241 1.832 -1.362) 4.816 47.813 ( 4.753 0.312 -0.065) 4.763 47.936 ( -4.140 0.414 -1.313) 4.363 47.961 ( -3.680 -0.165 -0.461) 3.712 88.818 ( -0.714 4.153 -0.682) 4.269 88.884 ( 3.053 3.881 -1.034) 5.045 89.235 ( 4.840 -8.067 2.634) 9.769 89.373 ( -4.431 -10.816 4.854) 12.656 90.383 ( -3.269 4.030 1.406) 5.376 90.424 ( -4.192 2.683 1.561) 5.216 91.263 ( 5.267 15.729 -2.129) 16.724 91.604 ( 17.084 12.228 -15.042) 25.839 ======================= Grid point 143 (77/116) ======================= q-point: ( 0.00 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 1.677 13.041 3.996) 13.742 1.428 ( 9.227 8.353 12.279) 17.484 1.559 ( 2.796 -0.276 -0.501) 2.854 1.683 ( 0.598 -9.575 5.858) 11.241 1.709 ( -2.360 0.389 5.014) 5.555 1.773 ( 0.521 -6.347 5.724) 8.563 2.234 ( 1.149 4.981 -1.068) 5.222 2.299 ( 1.421 0.904 3.362) 3.761 2.319 ( -2.625 6.489 3.295) 7.737 2.440 ( 5.174 -4.247 3.563) 7.583 2.531 ( -3.131 1.187 0.107) 3.350 2.601 ( 1.021 -4.545 -1.389) 4.861 2.804 ( -6.064 3.446 -0.293) 6.981 2.832 ( -5.201 0.577 2.040) 5.616 3.131 ( 3.409 4.004 4.409) 6.862 3.189 ( 1.250 -1.443 3.658) 4.126 3.325 ( 0.878 4.848 -5.169) 7.141 3.386 ( -1.863 0.982 -4.420) 4.896 3.451 ( -2.728 -5.189 -3.905) 7.044 3.482 ( -2.186 -7.244 -5.616) 9.423 3.904 ( 2.609 5.145 0.069) 5.769 3.958 ( 4.483 1.902 2.333) 5.400 4.031 ( 0.940 -0.889 -1.693) 2.131 4.100 ( -0.851 -6.124 1.291) 6.316 4.377 ( -0.732 1.535 0.131) 1.706 4.399 ( -3.310 -0.327 1.394) 3.607 4.687 ( 1.375 3.427 -1.221) 3.889 4.749 ( 2.585 -2.822 0.411) 3.849 5.667 ( 0.412 5.902 2.407) 6.387 5.724 ( -0.408 0.924 1.231) 1.592 5.948 ( 5.753 5.245 -6.091) 9.884 6.007 ( 4.691 -0.312 -6.117) 7.715 6.141 ( 0.739 -1.121 -0.110) 1.347 6.190 ( -4.955 -5.462 0.045) 7.375 6.606 ( -1.499 9.868 5.546) 11.419 6.787 ( -2.641 -7.910 0.336) 8.346 7.548 ( -0.656 3.261 -1.487) 3.644 7.651 ( -1.150 -4.802 -3.792) 6.226 7.698 ( -0.283 -0.777 -1.274) 1.519 7.742 ( -0.743 -5.016 -1.854) 5.399 7.960 ( -2.424 3.045 0.140) 3.894 8.023 ( -3.280 -3.458 0.070) 4.767 8.170 ( 1.931 0.881 -4.502) 4.977 8.189 ( 0.775 -1.216 -4.662) 4.880 8.485 ( -1.322 1.862 -2.203) 3.173 8.530 ( -0.972 -2.869 -1.342) 3.313 8.660 ( -0.903 3.975 -4.395) 5.995 8.744 ( -0.234 -4.712 -6.020) 7.648 9.439 ( -0.101 4.616 3.691) 5.912 9.520 ( 1.952 2.112 2.356) 3.718 9.553 ( -1.157 -4.412 3.832) 5.957 9.600 ( 3.043 -3.780 3.206) 5.816 10.732 ( -1.058 1.468 -3.604) 4.033 10.761 ( -0.637 -1.468 -4.358) 4.642 11.258 ( 0.442 1.760 -2.107) 2.780 11.276 ( 1.709 -0.291 -2.259) 2.847 11.375 ( -1.426 2.609 4.691) 5.554 11.433 ( -0.595 -3.483 5.061) 6.172 11.598 ( -1.150 1.080 -2.052) 2.588 11.620 ( -0.996 -1.177 -2.225) 2.707 12.355 ( -0.569 4.344 0.927) 4.478 12.430 ( -1.726 -3.546 -1.435) 4.197 13.026 ( 0.655 2.246 -0.446) 2.381 13.063 ( -0.899 -1.708 -1.344) 2.352 13.692 ( 0.916 1.909 3.418) 4.021 13.747 ( 4.283 -4.105 2.482) 6.431 14.384 ( 1.826 1.206 5.616) 6.028 14.399 ( 2.404 -0.330 4.926) 5.491 21.390 ( -1.732 0.625 -2.328) 2.968 21.404 ( -1.886 -0.731 -2.536) 3.244 21.663 ( -0.563 2.124 -0.516) 2.257 21.712 ( -0.693 -2.975 -1.782) 3.536 23.434 ( 2.644 4.684 1.609) 5.614 23.513 ( 2.897 -3.599 1.898) 4.995 23.549 ( -2.990 4.930 -1.103) 5.870 23.637 ( -3.122 -4.515 -0.012) 5.489 23.808 ( 0.077 0.169 2.179) 2.187 23.812 ( 0.578 -0.201 2.698) 2.766 24.162 ( 0.720 3.976 -4.223) 5.845 24.225 ( 0.573 -2.582 -5.708) 6.291 24.714 ( 1.288 0.624 0.191) 1.444 24.727 ( 1.678 -0.695 0.226) 1.831 25.068 ( -3.466 3.165 1.486) 4.923 25.147 ( -5.485 -5.215 0.191) 7.571 25.934 ( -0.180 0.713 -1.203) 1.410 25.939 ( -0.334 0.124 -0.946) 1.011 26.440 ( 3.494 3.552 3.624) 6.161 26.489 ( 4.988 -1.435 2.535) 5.776 27.626 ( 1.082 1.897 1.201) 2.492 27.652 ( 0.974 -0.763 0.864) 1.509 27.738 ( -0.308 0.147 -0.030) 0.342 27.741 ( -0.416 -0.085 -0.193) 0.466 29.574 ( -0.806 -0.896 3.470) 3.674 29.581 ( -2.259 -2.051 4.290) 5.264 30.250 ( 0.333 2.101 -0.177) 2.134 30.305 ( 1.663 -3.653 -1.612) 4.325 47.844 ( -0.904 1.195 -0.119) 1.503 47.866 ( -3.668 -0.614 -0.447) 3.745 47.873 ( 2.493 1.007 -1.062) 2.891 47.896 ( 1.915 -0.986 -1.315) 2.524 88.905 ( -2.844 8.000 1.608) 8.641 89.038 ( 5.049 5.819 -0.711) 7.737 89.089 ( -4.892 -8.769 2.524) 10.353 89.218 ( 7.144 -10.702 0.195) 12.869 90.414 ( -1.227 1.623 1.475) 2.513 90.423 ( -1.241 0.708 1.272) 1.913 91.569 ( 2.742 11.978 -4.788) 13.188 91.720 ( 5.036 -3.410 -10.218) 11.891 ======================= Grid point 144 (78/116) ======================= q-point: ( 0.12 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -2.835 7.153 2.830) 8.198 1.451 ( -5.390 -0.096 -2.875) 6.110 1.604 ( -3.183 2.705 5.077) 6.575 1.708 ( -3.958 -6.275 6.131) 9.624 1.799 ( 4.087 4.854 4.464) 7.759 1.869 ( 0.997 -1.415 1.557) 2.328 2.222 ( -5.029 5.652 -2.192) 7.877 2.278 ( -0.861 -1.355 1.255) 2.037 2.324 ( 0.209 -1.278 0.778) 1.511 2.366 ( -3.405 -3.873 -2.504) 5.733 2.617 ( 7.151 2.188 1.713) 7.672 2.669 ( 5.049 -2.902 1.000) 5.909 2.775 ( -1.449 3.887 7.062) 8.190 2.825 ( -0.957 -1.296 7.061) 7.243 3.138 ( -5.136 3.804 -4.871) 8.036 3.160 ( -3.841 1.235 -1.239) 4.221 3.296 ( -0.524 2.133 -0.160) 2.202 3.362 ( -0.716 -2.383 0.513) 2.541 3.386 ( 1.267 -1.190 0.526) 1.817 3.440 ( 2.213 -6.202 -4.083) 7.748 3.914 ( -1.185 1.759 -2.223) 3.073 3.984 ( -3.025 -5.320 -1.064) 6.212 4.097 ( 7.420 5.105 -0.210) 9.009 4.140 ( 3.837 0.608 0.352) 3.901 4.374 ( 2.188 2.791 -0.028) 3.547 4.431 ( 6.579 -3.150 1.185) 7.390 4.721 ( 2.065 5.566 0.473) 5.956 4.803 ( 3.412 -2.817 -1.159) 4.574 5.667 ( -2.988 3.125 2.104) 4.809 5.680 ( -5.216 1.585 0.348) 5.463 5.936 ( 1.473 5.076 -5.266) 7.461 6.008 ( 2.361 -1.592 -7.409) 7.937 6.166 ( 1.751 1.007 0.778) 2.164 6.203 ( 4.858 -2.436 0.501) 5.457 6.653 ( 0.106 4.313 5.716) 7.161 6.747 ( -2.707 -4.375 0.979) 5.238 7.531 ( -0.355 0.288 -0.210) 0.503 7.587 ( -1.742 -4.778 -3.540) 6.196 7.677 ( -1.013 -0.368 -0.717) 1.295 7.702 ( -1.675 -2.931 -1.833) 3.842 7.939 ( -0.852 2.352 1.343) 2.839 7.987 ( -1.195 -2.634 0.694) 2.974 8.159 ( 1.718 0.204 -3.236) 3.670 8.165 ( 1.841 -0.278 -4.370) 4.750 8.465 ( 0.021 1.706 0.444) 1.762 8.515 ( -0.695 -3.671 0.843) 3.830 8.613 ( 0.531 3.460 -4.147) 5.427 8.693 ( 0.673 -4.803 -4.898) 6.892 9.446 ( -2.609 3.769 2.390) 5.170 9.539 ( -2.275 -5.680 1.348) 6.265 9.582 ( 1.051 5.032 2.448) 5.694 9.663 ( 1.341 -3.711 1.681) 4.289 10.697 ( 0.547 1.545 -2.190) 2.735 10.729 ( 1.122 -1.671 -2.481) 3.195 11.208 ( -3.420 3.072 -1.955) 4.996 11.249 ( -1.777 -1.313 -2.604) 3.415 11.406 ( -1.064 3.207 4.322) 5.486 11.475 ( -0.290 -3.979 4.062) 5.693 11.578 ( 0.718 -0.072 -0.621) 0.953 11.586 ( -0.077 -0.799 -2.182) 2.325 12.384 ( 2.102 2.160 1.762) 3.491 12.415 ( 0.930 -1.184 -0.534) 1.598 13.020 ( -1.722 0.213 -0.406) 1.782 13.020 ( -2.224 0.148 -0.785) 2.363 13.724 ( -0.021 4.201 1.530) 4.471 13.824 ( 3.311 -6.539 0.069) 7.330 14.442 ( -0.002 1.475 2.986) 3.330 14.463 ( 0.723 -0.702 2.581) 2.771 21.361 ( 0.329 0.530 -0.966) 1.149 21.378 ( 0.883 -1.181 -1.020) 1.793 21.655 ( -0.208 1.366 0.074) 1.384 21.689 ( -0.262 -2.128 -1.421) 2.572 23.439 ( -3.736 4.985 -0.405) 6.243 23.502 ( -0.638 0.333 1.668) 1.817 23.580 ( 0.681 -0.436 -1.284) 1.518 23.626 ( 3.945 -3.168 1.814) 5.375 23.833 ( -0.306 0.259 2.215) 2.251 23.838 ( -0.390 -0.239 1.765) 1.823 24.133 ( -0.042 2.413 -2.805) 3.700 24.167 ( -1.021 -1.236 -4.815) 5.075 24.730 ( 0.674 0.810 -0.613) 1.219 24.745 ( 0.864 -0.669 -1.224) 1.641 25.043 ( -2.895 0.202 4.114) 5.035 25.070 ( -4.369 -2.577 2.114) 5.496 25.893 ( -3.269 0.501 -0.686) 3.378 25.898 ( -3.470 0.043 -0.601) 3.521 26.513 ( 2.855 5.651 0.629) 6.362 26.595 ( 5.891 -3.131 -0.497) 6.690 27.649 ( 0.198 1.417 0.788) 1.633 27.662 ( -0.500 0.053 0.072) 0.508 27.732 ( -0.135 0.355 -0.095) 0.392 27.741 ( 0.572 -0.493 -0.016) 0.755 29.564 ( -4.143 -0.455 3.310) 5.323 29.581 ( -2.552 -1.999 3.155) 4.524 30.257 ( 0.811 2.675 -0.390) 2.823 30.320 ( 2.040 -3.974 -1.550) 4.729 47.777 ( -4.288 0.884 -0.386) 4.396 47.791 ( -4.367 -0.538 -0.156) 4.403 47.930 ( 4.230 1.449 -0.676) 4.522 47.955 ( 4.336 -1.160 -0.633) 4.532 88.882 ( -2.183 6.867 2.080) 7.499 89.035 ( -4.432 -9.466 2.384) 10.720 89.100 ( 4.387 10.569 -2.334) 11.678 89.336 ( 7.177 -14.738 -1.431) 16.455 90.433 ( 1.808 1.864 1.669) 3.087 90.447 ( 2.459 0.478 1.599) 2.972 91.527 ( -2.116 10.571 -4.486) 11.677 91.650 ( -1.547 -2.011 -9.150) 9.495 ======================= Grid point 145 (79/116) ======================= q-point: ( 0.25 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -5.840 5.731 -3.232) 8.798 1.406 ( -2.740 -4.890 2.975) 6.345 1.542 ( -6.645 4.704 -2.582) 8.541 1.628 ( -8.567 -1.960 0.290) 8.793 1.767 ( -6.039 0.253 -4.116) 7.312 1.814 ( -7.068 -3.006 1.159) 7.767 2.157 ( 0.817 4.643 -2.396) 5.289 2.198 ( -1.945 1.812 0.050) 2.659 2.390 ( 2.386 3.742 5.501) 7.068 2.486 ( 4.017 -4.669 8.757) 10.706 2.707 ( 3.705 1.682 -3.315) 5.249 2.737 ( 4.222 0.196 -0.678) 4.280 2.819 ( -0.266 2.568 0.782) 2.697 2.896 ( 0.930 -3.997 4.596) 6.161 3.004 ( -4.530 2.751 -3.696) 6.462 3.063 ( -4.644 -3.904 0.280) 6.074 3.299 ( 0.171 2.861 0.487) 2.907 3.370 ( 0.006 -2.903 1.503) 3.269 3.435 ( 2.414 -0.972 1.432) 2.970 3.464 ( 3.429 -1.990 -1.883) 4.389 3.846 ( -2.520 0.447 -2.686) 3.710 3.906 ( -3.450 -5.234 -2.097) 6.610 4.168 ( 2.602 5.103 -0.058) 5.729 4.217 ( 3.559 0.381 1.323) 3.816 4.474 ( 8.024 7.084 -0.252) 10.707 4.575 ( 7.259 -2.812 0.352) 7.793 4.746 ( 2.431 5.716 -1.029) 6.296 4.835 ( 3.226 -3.483 -1.984) 5.146 5.589 ( -5.460 2.734 -0.380) 6.118 5.622 ( -4.696 -0.188 1.837) 5.046 5.900 ( 0.624 4.097 -6.051) 7.334 5.956 ( 0.319 -1.687 -7.062) 7.268 6.236 ( 4.996 2.574 1.978) 5.958 6.288 ( 4.068 -2.722 1.674) 5.173 6.703 ( -0.414 1.786 3.987) 4.388 6.731 ( -0.816 -1.005 1.989) 2.372 7.523 ( -0.857 -1.471 0.028) 1.703 7.553 ( 0.377 -4.190 0.321) 4.219 7.661 ( -1.103 -1.369 0.860) 1.957 7.665 ( -1.013 -1.576 0.023) 1.874 7.948 ( -0.192 3.074 1.552) 3.449 7.999 ( 0.739 -2.266 1.657) 2.903 8.162 ( 1.972 0.432 -2.251) 3.024 8.168 ( 2.104 -0.443 -1.716) 2.751 8.491 ( 1.038 0.672 2.639) 2.915 8.522 ( -0.521 -2.471 2.800) 3.770 8.600 ( 2.391 2.364 -3.271) 4.692 8.672 ( 1.813 -4.695 -3.610) 6.193 9.411 ( -3.087 3.815 0.548) 4.938 9.500 ( -3.353 -5.025 0.734) 6.085 9.603 ( -0.035 3.647 -0.238) 3.655 9.668 ( -1.235 -3.086 -0.711) 3.400 10.712 ( 2.555 1.912 -0.133) 3.194 10.749 ( 2.821 -1.834 -0.308) 3.379 11.136 ( -3.525 2.818 -0.381) 4.529 11.184 ( -3.264 -2.228 -1.570) 4.252 11.418 ( -1.654 3.482 3.058) 4.920 11.490 ( -1.385 -4.018 2.077) 4.731 11.580 ( 0.850 0.553 -1.116) 1.508 11.599 ( 1.357 -1.489 0.306) 2.038 12.440 ( 2.838 1.096 0.242) 3.052 12.453 ( 3.469 -0.184 1.699) 3.867 12.954 ( -3.852 2.223 -0.739) 4.508 12.993 ( -2.341 -1.858 0.532) 3.036 13.722 ( -0.664 6.326 -0.685) 6.397 13.854 ( 1.714 -7.721 -2.184) 8.205 14.439 ( -1.891 1.786 -0.542) 2.658 14.467 ( -1.373 -1.152 -0.797) 1.961 21.385 ( 2.588 0.619 0.916) 2.815 21.409 ( 2.803 -1.933 1.053) 3.564 21.657 ( -0.026 0.721 0.914) 1.164 21.674 ( -0.643 -0.936 -0.076) 1.138 23.382 ( -2.180 4.644 -0.701) 5.177 23.469 ( -2.322 -4.540 -1.052) 5.207 23.623 ( 3.046 5.342 1.390) 6.305 23.703 ( 1.957 -3.151 2.238) 4.333 23.828 ( -1.186 0.747 0.354) 1.446 23.845 ( 0.063 -1.316 0.652) 1.470 24.100 ( -1.175 1.489 -2.310) 2.989 24.117 ( -0.560 -0.377 -2.047) 2.156 24.723 ( -0.025 0.475 -1.554) 1.625 24.733 ( 0.003 -0.514 -2.185) 2.245 25.028 ( -3.316 1.063 3.791) 5.148 25.066 ( -2.339 -2.879 5.412) 6.561 25.829 ( -3.617 0.190 -0.342) 3.638 25.834 ( -3.381 -0.463 0.058) 3.413 26.542 ( 1.847 7.376 -2.497) 8.004 26.656 ( 3.845 -4.747 -3.383) 6.983 27.638 ( -1.183 0.889 -0.892) 1.728 27.647 ( -0.838 0.001 -0.510) 0.981 27.736 ( 0.364 1.085 0.323) 1.189 27.753 ( 0.553 -0.621 0.309) 0.887 29.519 ( -4.533 1.135 2.503) 5.301 29.556 ( -3.584 -2.669 2.339) 5.044 30.265 ( 0.739 3.355 -0.670) 3.500 30.337 ( 1.790 -4.197 -1.674) 4.860 47.713 ( -3.134 0.914 -0.134) 3.268 47.728 ( -3.281 -0.631 0.102) 3.343 47.988 ( 3.413 1.534 -0.222) 3.748 48.014 ( 3.427 -1.163 -0.365) 3.637 88.866 ( -1.867 5.407 0.922) 5.794 88.984 ( -3.754 -6.933 0.260) 7.888 89.144 ( 3.907 11.729 -1.842) 12.499 89.414 ( 5.148 -16.913 -2.806) 17.901 90.503 ( 4.184 2.706 2.356) 5.512 90.526 ( 4.432 0.366 2.440) 5.072 91.425 ( -4.435 8.586 -4.660) 10.728 91.511 ( -4.645 -0.220 -8.004) 9.257 ======================= Grid point 146 (80/116) ======================= q-point: (-0.62 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -2.472 10.304 -0.210) 10.598 1.383 ( -0.633 0.358 -2.325) 2.436 1.452 ( 2.267 -5.882 -0.086) 6.304 1.493 ( -4.998 -3.939 -2.591) 6.871 1.625 ( -7.051 4.051 -0.699) 8.162 1.724 ( -6.535 -4.830 2.318) 8.451 2.163 ( 1.297 2.969 -2.921) 4.362 2.174 ( -1.856 1.542 -2.237) 3.290 2.439 ( -3.043 8.367 5.983) 10.727 2.581 ( -2.901 -4.736 7.608) 9.420 2.673 ( -0.546 1.927 -8.676) 8.904 2.731 ( -0.393 -4.749 -7.829) 9.165 2.788 ( -0.313 7.741 -3.413) 8.466 2.907 ( -2.166 -3.226 -4.178) 5.705 2.973 ( 1.496 -0.347 3.682) 3.989 3.025 ( -3.399 -4.805 2.420) 6.364 3.296 ( 0.529 5.505 -0.467) 5.550 3.390 ( 0.369 -3.301 2.037) 3.897 3.474 ( 0.742 0.276 1.951) 2.105 3.510 ( 3.622 -1.833 0.304) 4.071 3.826 ( 0.879 -0.319 1.263) 1.572 3.865 ( -0.760 -3.767 0.937) 3.956 4.199 ( 1.944 5.807 -1.323) 6.265 4.273 ( 1.165 -2.597 1.261) 3.113 4.552 ( 3.192 6.822 -2.876) 8.062 4.614 ( 1.497 0.930 -2.305) 2.901 4.825 ( 5.743 3.901 0.188) 6.945 4.888 ( 3.645 -1.977 0.498) 4.177 5.498 ( -4.472 3.361 -1.671) 5.839 5.565 ( -3.705 -3.479 0.921) 5.165 5.842 ( 0.465 1.825 -6.722) 6.980 5.887 ( -0.190 -2.772 -7.011) 7.542 6.341 ( 4.029 3.152 2.895) 5.878 6.385 ( 5.221 -2.001 3.983) 6.865 6.716 ( -1.455 2.308 2.043) 3.409 6.741 ( -1.134 -0.504 1.977) 2.334 7.526 ( 0.455 0.115 1.576) 1.644 7.586 ( 1.616 -5.087 2.339) 5.827 7.657 ( -0.323 -0.778 1.956) 2.129 7.683 ( 0.822 -2.647 2.675) 3.852 7.956 ( -0.496 3.871 1.005) 4.030 8.020 ( 0.093 -2.861 0.470) 2.900 8.183 ( 1.693 0.451 0.153) 1.758 8.190 ( 1.486 -0.679 0.083) 1.636 8.533 ( 0.217 0.910 3.651) 3.769 8.557 ( 0.837 -0.866 3.467) 3.670 8.630 ( 3.829 0.862 -1.055) 4.064 8.683 ( 3.204 -3.978 -2.253) 5.583 9.370 ( -1.813 3.686 -0.265) 4.116 9.452 ( -3.091 -4.227 0.093) 5.238 9.580 ( -0.934 1.289 -2.277) 2.779 9.617 ( -2.600 -2.321 -2.723) 4.422 10.766 ( 3.197 1.939 0.847) 3.834 10.801 ( 2.831 -1.482 0.695) 3.271 11.098 ( -1.689 1.448 1.549) 2.711 11.129 ( -1.856 -1.938 -0.396) 2.712 11.420 ( -1.584 3.064 2.842) 4.469 11.481 ( -1.641 -3.375 1.511) 4.045 11.576 ( 0.089 1.535 -1.261) 1.989 11.613 ( 0.460 -2.220 -0.603) 2.346 12.495 ( 3.091 2.145 0.944) 3.878 12.526 ( 2.406 -1.013 2.059) 3.325 12.899 ( -1.978 3.447 0.444) 3.998 12.962 ( -2.057 -3.226 0.981) 3.950 13.697 ( -0.538 7.394 -1.929) 7.661 13.842 ( 0.549 -7.985 -3.696) 8.816 14.374 ( -3.290 1.802 -3.663) 5.243 14.406 ( -3.039 -1.458 -4.121) 5.324 21.452 ( 3.190 0.759 2.340) 4.028 21.477 ( 2.913 -1.989 2.428) 4.282 21.667 ( -0.150 0.513 1.175) 1.290 21.677 ( 0.160 -0.600 2.361) 2.441 23.354 ( -0.580 3.941 -0.612) 4.031 23.428 ( -1.013 -3.692 -1.931) 4.287 23.668 ( 0.337 3.725 1.490) 4.026 23.718 ( -1.155 -1.602 0.498) 2.036 23.825 ( 0.521 1.669 0.625) 1.857 23.865 ( 1.181 -2.321 0.772) 2.716 24.072 ( 0.217 1.805 -0.969) 2.061 24.096 ( -0.196 -0.614 -1.005) 1.194 24.704 ( -0.235 0.207 -1.790) 1.817 24.710 ( -0.035 -0.442 -2.196) 2.241 25.008 ( -3.576 2.581 3.229) 5.466 25.063 ( -3.995 -3.220 4.339) 6.719 25.787 ( -1.404 0.525 0.809) 1.703 25.807 ( -0.650 -1.685 1.402) 2.286 26.526 ( 0.601 7.739 -4.743) 9.097 26.653 ( 1.415 -5.772 -5.898) 8.373 27.610 ( -0.789 1.002 -1.291) 1.815 27.625 ( -0.719 -0.563 -1.185) 1.496 27.746 ( 0.216 1.241 0.520) 1.363 27.762 ( 0.175 -0.471 0.327) 0.599 29.474 ( -3.584 1.925 2.151) 4.602 29.517 ( -3.336 -2.595 1.614) 4.524 30.266 ( 0.336 3.840 -0.915) 3.962 30.342 ( 1.055 -4.199 -2.037) 4.785 47.675 ( -1.513 0.880 0.080) 1.752 47.688 ( -1.754 -0.498 0.147) 1.829 48.033 ( 2.066 1.384 0.103) 2.489 48.055 ( 1.999 -1.024 -0.222) 2.257 88.835 ( -2.024 4.117 -0.638) 4.632 88.918 ( -3.164 -4.127 -2.062) 5.594 89.196 ( 3.634 10.220 -0.174) 10.848 89.451 ( 3.039 -16.375 -3.410) 17.000 90.601 ( 3.756 3.199 3.472) 6.033 90.622 ( 3.167 0.941 3.536) 4.840 91.313 ( -2.571 6.733 -5.603) 9.129 91.366 ( -2.953 1.270 -7.848) 8.481 ======================= Grid point 147 (81/116) ======================= q-point: (-0.50 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 2.694 11.793 3.166) 12.504 1.410 ( -0.492 0.516 -0.785) 1.061 1.490 ( -0.727 -2.741 6.192) 6.810 1.495 ( 5.452 -0.688 0.903) 5.569 1.578 ( 5.221 1.184 -2.088) 5.746 1.667 ( -1.882 -5.574 2.004) 6.215 2.055 ( -7.093 1.636 -5.322) 9.018 2.100 ( -2.867 -2.038 -7.577) 8.354 2.446 ( -2.158 7.171 -5.572) 9.334 2.489 ( -5.237 5.690 -1.300) 7.842 2.535 ( -4.906 0.247 -11.273) 12.297 2.647 ( -2.135 -9.798 0.257) 10.032 2.768 ( -2.331 3.132 2.951) 4.894 2.809 ( -4.997 -0.903 -0.678) 5.123 3.001 ( -1.029 -0.095 0.802) 1.308 3.027 ( 2.670 -2.703 0.591) 3.845 3.316 ( 1.395 6.193 -0.602) 6.377 3.410 ( -0.132 -2.133 0.068) 2.138 3.541 ( 2.827 1.729 6.642) 7.423 3.593 ( 4.067 -2.561 3.449) 5.916 3.868 ( 1.834 -0.205 1.723) 2.525 3.883 ( 0.371 -1.114 2.266) 2.552 4.195 ( 0.385 4.423 -3.722) 5.794 4.239 ( -3.632 -0.976 -4.037) 5.517 4.576 ( 0.593 5.384 1.782) 5.702 4.658 ( 3.861 -3.026 2.998) 5.749 4.860 ( -1.108 5.215 -1.977) 5.686 4.918 ( -0.612 -0.236 -1.034) 1.225 5.422 ( -1.936 4.603 -2.399) 5.540 5.528 ( -0.502 -6.296 -0.896) 6.379 5.792 ( 0.705 -0.573 -6.085) 6.153 5.837 ( 2.845 -4.449 -5.908) 7.925 6.424 ( 2.047 6.102 3.950) 7.552 6.508 ( 4.132 -2.509 3.263) 5.832 6.690 ( -3.807 1.864 1.562) 4.517 6.725 ( -2.011 -1.176 0.651) 2.419 7.562 ( 1.096 2.209 2.583) 3.571 7.641 ( 2.291 -3.860 1.686) 4.795 7.687 ( 0.746 -1.322 3.017) 3.378 7.730 ( 1.315 -3.832 2.520) 4.771 7.958 ( -0.099 3.211 0.890) 3.333 8.015 ( -0.214 -2.731 -0.390) 2.767 8.207 ( 0.755 -0.538 0.565) 1.086 8.214 ( 0.447 -1.119 1.098) 1.630 8.575 ( 0.406 1.630 3.831) 4.183 8.600 ( 0.473 -0.716 2.783) 2.912 8.696 ( 4.112 1.228 0.614) 4.335 8.730 ( 4.199 -2.072 -0.931) 4.774 9.350 ( -0.414 2.498 -0.261) 2.545 9.402 ( -2.695 -2.629 -0.435) 3.790 9.539 ( -0.729 -1.288 -3.001) 3.346 9.544 ( -2.430 -1.698 -3.366) 4.485 10.818 ( 2.151 1.607 0.445) 2.721 10.847 ( 2.067 -1.353 0.560) 2.533 11.107 ( -0.010 0.222 2.576) 2.585 11.121 ( 0.955 -1.102 0.029) 1.459 11.420 ( -1.981 2.320 2.854) 4.178 11.464 ( -2.541 -2.382 1.623) 3.842 11.568 ( 0.866 2.302 -1.167) 2.722 11.610 ( 0.907 -2.063 -1.595) 2.761 12.535 ( -1.236 2.566 1.877) 3.411 12.560 ( 0.399 0.165 2.080) 2.125 12.917 ( 2.597 1.419 1.742) 3.434 12.954 ( -0.019 -2.435 0.943) 2.611 13.673 ( -0.301 6.449 -1.540) 6.638 13.802 ( -0.665 -7.222 -4.470) 8.519 14.272 ( -3.542 1.617 -4.989) 6.329 14.302 ( -3.185 -1.425 -5.705) 6.687 21.514 ( 0.834 0.911 2.737) 3.002 21.534 ( 1.141 -0.975 2.230) 2.688 21.691 ( 0.645 0.844 2.597) 2.805 21.718 ( 1.896 -1.809 2.165) 3.399 23.345 ( -0.014 2.790 -0.580) 2.849 23.393 ( -0.915 -2.181 -2.209) 3.236 23.676 ( -0.515 1.361 1.041) 1.789 23.700 ( -1.196 -1.075 0.251) 1.627 23.841 ( -0.115 2.171 1.043) 2.412 23.873 ( -1.294 -1.206 0.459) 1.828 24.095 ( 3.020 1.294 -0.676) 3.354 24.105 ( 3.090 0.126 -0.529) 3.137 24.685 ( -0.163 0.150 -1.213) 1.233 24.690 ( -0.095 -0.326 -1.701) 1.734 24.981 ( -2.740 2.838 2.790) 4.832 25.033 ( -3.311 -2.545 2.781) 5.017 25.801 ( 1.058 1.124 2.180) 2.671 25.834 ( 1.162 -2.387 2.447) 3.610 26.474 ( -0.545 6.462 -5.534) 8.526 26.591 ( -0.743 -5.847 -7.730) 9.721 27.591 ( 0.015 0.828 -1.166) 1.430 27.605 ( -0.178 -0.611 -1.385) 1.524 27.751 ( -0.178 1.103 0.577) 1.258 27.766 ( -0.073 -0.394 0.259) 0.477 29.451 ( -1.946 1.805 2.448) 3.611 29.487 ( -2.038 -1.979 1.371) 3.154 30.260 ( 0.054 3.774 -0.867) 3.873 30.332 ( 0.480 -3.884 -2.365) 4.573 47.667 ( 0.344 0.719 0.196) 0.821 47.675 ( 0.076 -0.155 0.055) 0.181 48.055 ( 0.432 1.062 0.210) 1.165 48.072 ( 0.271 -0.740 -0.251) 0.827 88.796 ( -1.440 3.116 -0.972) 3.567 88.853 ( -1.578 -2.492 -2.578) 3.918 89.250 ( 2.083 6.937 0.924) 7.302 89.442 ( 0.255 -13.198 -4.161) 13.841 90.663 ( -2.061 2.907 4.432) 5.687 90.671 ( -2.103 1.885 4.023) 4.915 91.256 ( 3.409 6.263 -6.601) 9.717 91.300 ( 5.627 1.861 -8.316) 10.212 ======================= Grid point 148 (82/116) ======================= q-point: (-0.38 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 0.363 10.414 0.891) 10.459 1.373 ( 2.062 10.186 0.897) 10.431 1.489 ( -3.404 -6.979 2.351) 8.113 1.552 ( -6.725 2.925 -2.578) 7.773 1.598 ( -3.645 -2.770 0.521) 4.608 1.724 ( 2.920 -4.546 3.058) 6.208 1.956 ( 3.686 2.124 -1.657) 4.565 2.036 ( 6.373 -5.309 -3.552) 9.023 2.239 ( -2.487 7.806 -11.718) 14.298 2.361 ( 0.036 -2.177 -11.953) 12.150 2.562 ( 3.636 5.069 7.642) 9.864 2.648 ( -0.176 -3.733 2.413) 4.449 2.752 ( -4.983 0.104 5.406) 7.353 2.758 ( -4.254 -1.695 5.530) 7.180 2.997 ( 0.371 3.546 -0.788) 3.651 3.074 ( 2.487 -4.364 -0.213) 5.028 3.317 ( 0.028 5.505 -1.301) 5.657 3.398 ( 0.489 -2.189 -0.867) 2.404 3.649 ( 2.260 2.076 3.081) 4.349 3.676 ( 2.583 -0.716 0.735) 2.779 3.899 ( -0.644 0.053 1.722) 1.839 3.915 ( -0.510 -0.868 4.263) 4.380 4.130 ( -2.175 3.003 -4.953) 6.187 4.156 ( 0.569 0.559 -4.606) 4.674 4.560 ( -6.804 6.446 3.713) 10.082 4.695 ( -9.090 -6.179 2.256) 11.221 4.802 ( 0.849 2.943 -0.386) 3.087 4.873 ( -0.926 -2.182 -3.377) 4.127 5.397 ( 1.867 7.638 -2.002) 8.114 5.543 ( 3.514 -6.404 -0.755) 7.343 5.762 ( 3.204 0.887 -5.530) 6.452 5.860 ( 5.153 -7.269 -3.916) 9.733 6.457 ( -3.004 6.474 1.636) 7.322 6.533 ( -2.445 -0.048 -0.328) 2.467 6.629 ( -4.973 4.016 1.809) 6.643 6.741 ( 2.139 -6.103 2.905) 7.089 7.598 ( 0.356 4.123 1.839) 4.529 7.680 ( 1.603 -0.702 -0.596) 1.849 7.730 ( 0.942 -3.782 2.206) 4.479 7.762 ( 0.299 -4.988 1.100) 5.116 7.974 ( 0.797 2.438 0.988) 2.749 8.024 ( 1.518 -2.706 0.581) 3.156 8.214 ( -0.460 -0.615 -0.079) 0.772 8.227 ( 0.580 -1.906 0.284) 2.013 8.607 ( -0.428 1.278 1.698) 2.168 8.625 ( -0.061 -0.662 1.883) 1.997 8.750 ( 2.080 3.235 -0.715) 3.912 8.796 ( 4.510 -1.379 -0.646) 4.760 9.353 ( -0.012 0.691 0.827) 1.078 9.366 ( -0.518 0.372 -0.295) 0.703 9.483 ( -1.472 -1.804 -2.003) 3.071 9.505 ( -0.235 -3.667 -2.036) 4.201 10.842 ( 0.914 1.712 -0.668) 2.052 10.876 ( 1.458 -1.873 -0.793) 2.502 11.138 ( 1.391 0.225 1.329) 1.937 11.153 ( 2.137 -1.102 0.786) 2.529 11.408 ( -2.605 1.259 2.640) 3.917 11.429 ( -3.254 -0.914 1.319) 3.628 11.589 ( 2.318 2.017 -0.145) 3.076 11.618 ( 1.892 -0.964 -1.700) 2.720 12.506 ( -3.894 5.187 2.221) 6.856 12.579 ( -1.041 -2.212 2.237) 3.313 12.968 ( 1.642 0.695 -0.242) 1.800 12.994 ( 3.665 -1.629 1.144) 4.171 13.654 ( -1.168 3.457 -0.290) 3.660 13.731 ( -2.491 -4.810 -4.689) 7.164 14.188 ( -1.443 2.001 -2.487) 3.503 14.221 ( -0.695 -1.447 -3.161) 3.545 21.528 ( -1.386 1.562 1.662) 2.669 21.558 ( -0.546 -1.390 1.518) 2.129 21.720 ( -0.010 1.643 1.487) 2.216 21.764 ( 1.431 -2.680 0.887) 3.165 23.343 ( 0.362 1.484 -0.400) 1.579 23.363 ( -0.024 -0.721 -1.471) 1.639 23.670 ( -1.263 0.344 0.795) 1.532 23.684 ( -1.461 -1.088 0.461) 1.879 23.831 ( -2.403 1.767 0.605) 3.044 23.854 ( -1.229 -0.586 1.201) 1.816 24.141 ( 4.239 3.040 -1.809) 5.521 24.178 ( 6.060 -0.732 -2.048) 6.438 24.676 ( 0.017 0.099 -0.602) 0.610 24.678 ( 0.014 -0.097 -0.445) 0.456 24.999 ( 1.030 2.090 4.471) 5.042 25.032 ( 0.340 -1.203 2.811) 3.077 25.850 ( 1.767 1.013 2.245) 3.031 25.875 ( 1.243 -1.669 1.363) 2.487 26.408 ( -1.679 4.170 -4.080) 6.071 26.492 ( -1.753 -4.764 -7.255) 8.854 27.586 ( 0.480 0.437 -0.881) 1.094 27.593 ( 0.406 -0.308 -1.110) 1.222 27.752 ( -0.498 0.961 0.613) 1.244 27.765 ( -0.313 -0.408 0.178) 0.544 29.461 ( -0.298 0.889 3.332) 3.462 29.482 ( -0.426 -1.204 1.716) 2.139 30.253 ( -0.009 3.118 -0.465) 3.152 30.316 ( 0.415 -3.436 -2.345) 4.181 47.689 ( 2.116 0.499 0.131) 2.178 47.693 ( 2.146 0.186 -0.068) 2.156 48.050 ( -1.219 0.593 0.053) 1.357 48.059 ( -1.492 -0.321 -0.458) 1.594 88.783 ( 0.622 2.683 0.357) 2.777 88.827 ( 1.012 -1.621 -1.479) 2.416 89.269 ( -1.155 2.414 1.047) 2.874 89.373 ( -3.173 -8.309 -5.020) 10.213 90.615 ( -7.385 3.045 3.412) 8.686 90.632 ( -6.871 1.399 3.306) 7.752 91.305 ( 9.807 8.358 -6.123) 14.266 91.383 ( 13.507 0.638 -8.201) 15.814 ======================= Grid point 149 (83/116) ======================= q-point: (-0.25 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -8.856 12.828 -3.774) 16.038 1.330 ( -3.676 11.260 -1.222) 11.908 1.434 ( -4.155 -4.982 -2.257) 6.868 1.509 ( 5.567 -0.246 0.468) 5.592 1.632 ( 1.825 -2.578 6.519) 7.244 1.757 ( 0.369 -9.516 4.634) 10.591 2.051 ( 0.988 7.794 4.614) 9.111 2.146 ( 4.985 0.798 3.194) 5.973 2.201 ( 4.718 4.516 -2.966) 7.173 2.334 ( 6.697 -4.013 -6.546) 10.189 2.634 ( -1.348 5.083 0.848) 5.327 2.702 ( -6.364 -0.993 3.897) 7.528 2.756 ( 6.815 -1.556 6.081) 9.265 2.796 ( 1.669 -3.315 7.964) 8.786 2.998 ( 0.084 5.020 0.415) 5.038 3.090 ( 0.159 -4.145 -0.589) 4.190 3.312 ( 2.223 6.709 -2.214) 7.406 3.428 ( 3.784 -5.188 -1.226) 6.537 3.625 ( -3.008 3.086 -4.874) 6.506 3.671 ( -1.045 -1.532 -4.671) 5.026 3.903 ( -1.711 1.911 3.573) 4.398 3.911 ( -3.045 0.491 0.996) 3.241 4.110 ( 0.297 -0.846 -0.755) 1.173 4.128 ( 0.504 -1.483 -2.033) 2.566 4.458 ( -7.969 3.590 3.390) 9.375 4.513 ( -10.266 -1.308 -0.039) 10.349 4.806 ( -1.728 -2.710 -0.796) 3.311 4.812 ( -3.581 -2.284 -2.443) 4.900 5.459 ( 6.697 10.716 0.298) 12.640 5.615 ( 4.443 -2.842 0.846) 5.342 5.794 ( 6.662 0.431 -4.534) 8.070 5.911 ( 5.539 -8.076 -3.679) 10.462 6.355 ( -7.936 5.068 -1.448) 9.527 6.442 ( -6.613 -3.963 -2.264) 8.035 6.602 ( -2.847 11.819 4.282) 12.889 6.800 ( 1.266 -8.857 2.073) 9.184 7.603 ( -0.776 5.151 -0.084) 5.210 7.686 ( 0.966 0.691 -1.836) 2.187 7.747 ( -0.192 -2.795 -0.482) 2.842 7.766 ( -0.096 -8.854 0.139) 8.856 7.996 ( 0.486 3.236 0.999) 3.421 8.065 ( 1.506 -3.722 1.330) 4.229 8.195 ( -0.347 1.018 -2.018) 2.287 8.235 ( 0.759 -3.082 -1.286) 3.425 8.592 ( -1.456 1.821 -1.355) 2.697 8.621 ( -1.368 -1.100 -0.895) 1.970 8.753 ( 0.497 4.935 -2.606) 5.603 8.836 ( 2.362 -3.490 -3.443) 5.442 9.355 ( 0.363 3.211 1.249) 3.465 9.401 ( 1.666 1.785 3.256) 4.070 9.466 ( 0.654 -3.647 0.173) 3.709 9.500 ( 0.544 -5.311 0.670) 5.381 10.832 ( -0.322 1.928 -2.305) 3.022 10.871 ( 0.102 -2.136 -3.159) 3.815 11.180 ( 2.511 0.566 0.957) 2.746 11.199 ( 2.798 -1.184 0.222) 3.046 11.391 ( -2.795 0.662 2.441) 3.770 11.400 ( -2.178 -0.282 2.527) 3.348 11.627 ( 2.076 0.714 -0.170) 2.202 11.632 ( 1.670 0.163 -1.621) 2.333 12.457 ( -4.298 6.263 0.968) 7.658 12.562 ( -2.915 -4.714 0.329) 5.552 12.988 ( 2.081 3.304 -1.504) 4.185 13.051 ( 2.645 -3.192 -0.149) 4.149 13.626 ( -1.663 1.402 -0.135) 2.179 13.659 ( -1.882 -2.022 -0.313) 2.781 14.196 ( 1.973 1.995 2.935) 4.061 14.226 ( 2.052 -1.146 1.676) 2.887 21.506 ( -2.206 1.649 -0.434) 2.788 21.541 ( -2.449 -2.154 -0.320) 3.277 21.713 ( -1.400 2.930 -0.269) 3.259 21.772 ( -0.560 -3.189 -0.610) 3.295 23.348 ( 1.069 1.890 -0.241) 2.185 23.376 ( 2.296 -0.999 0.071) 2.505 23.656 ( -1.854 0.149 1.291) 2.264 23.665 ( -1.293 -0.763 1.062) 1.839 23.799 ( -2.093 2.367 0.703) 3.237 23.838 ( -2.287 -1.727 1.019) 3.042 24.183 ( 3.757 3.953 -3.732) 6.608 24.239 ( 5.066 -1.756 -4.513) 7.008 24.677 ( 0.446 0.209 0.142) 0.513 24.680 ( 0.477 -0.071 0.094) 0.491 25.069 ( 1.895 2.838 3.050) 4.577 25.118 ( 4.474 -2.230 5.294) 7.281 25.891 ( 1.698 0.266 0.311) 1.746 25.900 ( 1.872 -0.776 -0.744) 2.159 26.348 ( -1.937 3.809 -1.235) 4.448 26.420 ( -1.200 -3.631 -1.810) 4.231 27.586 ( 0.523 0.851 -0.419) 1.083 27.601 ( 1.151 -0.582 -0.199) 1.305 27.748 ( -0.584 0.795 0.532) 1.121 27.759 ( -0.530 -0.343 0.117) 0.642 29.501 ( 0.533 -0.343 3.598) 3.654 29.507 ( 0.685 -0.875 3.189) 3.377 30.251 ( -0.066 2.257 -0.047) 2.259 30.303 ( 0.692 -3.189 -2.046) 3.852 47.734 ( 3.548 0.724 -0.327) 3.635 47.743 ( 3.893 -0.118 -0.106) 3.896 48.015 ( -3.058 0.184 -0.721) 3.148 48.017 ( -2.795 0.020 -0.431) 2.828 88.831 ( 3.575 2.500 2.090) 4.837 88.860 ( 3.808 -0.316 0.219) 3.827 89.217 ( -5.434 -0.553 -1.693) 5.718 89.266 ( -4.383 -5.407 -1.964) 7.232 90.521 ( -7.061 2.807 2.318) 7.944 90.539 ( -7.208 0.922 2.291) 7.619 91.424 ( 10.922 10.542 -5.385) 16.106 91.542 ( 15.388 -1.195 -8.859) 17.796 ======================= Grid point 150 (84/116) ======================= q-point: (-0.12 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 5.411 13.891 7.446) 16.664 1.314 ( 0.373 10.050 3.247) 10.568 1.442 ( 5.388 -2.012 1.665) 5.987 1.591 ( 2.104 -6.962 4.882) 8.760 1.718 ( 0.086 -1.572 4.495) 4.763 1.776 ( -2.082 -6.667 1.164) 7.081 2.150 ( 2.978 10.686 10.247) 15.102 2.223 ( 1.615 6.054 0.742) 6.310 2.283 ( 4.652 -0.715 4.832) 6.745 2.367 ( 2.504 -5.948 -3.688) 7.433 2.593 ( -4.605 2.204 1.294) 5.266 2.632 ( -4.414 -1.549 1.210) 4.832 2.861 ( 2.033 2.015 0.466) 2.900 2.899 ( -1.285 -1.556 1.483) 2.504 3.026 ( 2.426 4.123 4.196) 6.363 3.108 ( 2.032 -3.716 3.043) 5.216 3.338 ( 3.231 6.870 -3.416) 8.325 3.452 ( 2.021 -2.805 -6.027) 6.948 3.518 ( -3.308 -0.901 -3.441) 4.857 3.584 ( -2.158 -4.550 -6.330) 8.089 3.879 ( 0.169 2.965 -0.907) 3.106 3.907 ( -0.836 2.568 2.463) 3.656 4.052 ( -1.856 -0.720 -2.699) 3.353 4.130 ( -3.438 -6.797 2.788) 8.112 4.405 ( -4.176 1.662 3.017) 5.413 4.418 ( -2.648 0.621 2.903) 3.978 4.723 ( -2.646 0.309 -3.448) 4.357 4.751 ( -2.194 -2.696 -1.632) 3.840 5.590 ( 6.276 9.191 2.467) 11.400 5.684 ( 2.913 2.029 1.067) 3.707 5.876 ( 7.815 -0.250 -4.000) 8.783 5.968 ( 6.709 -6.133 -4.967) 10.359 6.210 ( -7.438 4.039 -1.164) 8.544 6.305 ( -7.259 -5.711 -1.804) 9.411 6.596 ( -2.989 13.137 4.506) 14.206 6.814 ( -1.052 -9.380 0.645) 9.460 7.578 ( -1.051 4.960 -1.550) 5.302 7.682 ( 0.781 -0.138 -2.189) 2.328 7.722 ( -0.932 -3.888 -1.763) 4.369 7.762 ( -0.077 -7.843 -1.039) 7.912 7.996 ( -1.623 3.715 0.404) 4.074 8.071 ( -2.302 -4.022 0.777) 4.699 8.177 ( 1.940 1.779 -3.949) 4.746 8.222 ( 0.456 -2.946 -3.453) 4.562 8.540 ( -1.922 1.841 -3.069) 4.062 8.573 ( -1.712 -1.436 -2.754) 3.546 8.717 ( -0.820 4.591 -3.929) 6.098 8.807 ( 0.149 -4.573 -5.946) 7.503 9.391 ( 1.386 5.100 2.842) 6.001 9.463 ( 0.990 3.055 4.510) 5.537 9.510 ( 3.076 -6.358 1.914) 7.318 9.530 ( 0.726 -4.535 3.150) 5.570 10.789 ( -1.286 1.726 -3.540) 4.143 10.822 ( -1.046 -1.727 -4.666) 5.084 11.235 ( 3.237 0.613 0.047) 3.295 11.244 ( 3.116 -0.332 -0.853) 3.248 11.374 ( -2.347 1.531 2.758) 3.931 11.404 ( -1.546 -1.856 4.351) 4.977 11.630 ( 0.143 0.835 -1.973) 2.148 11.644 ( 0.382 -0.541 -1.035) 1.229 12.390 ( -3.712 5.956 -0.315) 7.025 12.495 ( -3.765 -5.210 -1.870) 6.694 13.010 ( 2.052 3.736 -1.095) 4.401 13.075 ( 0.959 -3.130 -1.088) 3.450 13.636 ( 1.528 1.316 2.743) 3.404 13.669 ( 0.968 -2.052 3.242) 3.957 14.285 ( 2.869 1.395 5.972) 6.771 14.303 ( 2.983 -0.467 4.815) 5.683 21.451 ( -2.579 1.191 -2.306) 3.659 21.476 ( -3.499 -1.566 -2.310) 4.476 21.684 ( -1.261 3.046 -0.701) 3.371 21.744 ( -1.250 -3.346 -1.463) 3.860 23.379 ( 2.471 3.329 0.578) 4.186 23.432 ( 3.889 -2.071 0.993) 4.517 23.622 ( -3.691 2.327 0.378) 4.379 23.664 ( -1.467 -2.062 2.202) 3.354 23.785 ( -0.510 1.070 1.637) 2.021 23.808 ( -1.791 -1.379 0.650) 2.352 24.186 ( 1.972 4.261 -4.765) 6.690 24.253 ( 2.881 -2.689 -5.634) 6.876 24.692 ( 1.044 0.278 0.309) 1.124 24.697 ( 1.261 -0.277 0.554) 1.405 25.100 ( -1.119 4.648 1.180) 4.924 25.198 ( -0.584 -5.838 1.960) 6.186 25.921 ( 2.639 0.480 -1.182) 2.931 25.929 ( 2.615 -0.333 -1.347) 2.961 26.352 ( 1.713 4.308 3.154) 5.608 26.418 ( 0.305 -2.499 2.929) 3.862 27.599 ( 0.959 1.588 0.596) 1.948 27.624 ( 1.401 -0.937 0.553) 1.773 27.743 ( -0.477 0.518 0.292) 0.762 27.751 ( -0.610 -0.192 0.025) 0.640 29.542 ( 0.509 -0.310 3.257) 3.311 29.555 ( -0.111 -2.122 4.674) 5.135 30.249 ( -0.083 1.843 0.009) 1.845 30.299 ( 1.115 -3.310 -1.765) 3.914 47.794 ( 4.315 1.072 -0.633) 4.491 47.810 ( 4.588 -0.594 -0.373) 4.641 47.946 ( -4.198 0.550 -1.069) 4.367 47.955 ( -3.996 -0.418 -0.788) 4.094 88.907 ( 2.291 4.895 1.330) 5.565 88.951 ( 5.321 1.893 1.535) 5.852 89.121 ( -2.352 -2.593 -0.661) 3.563 89.189 ( -4.195 -8.190 0.517) 9.217 90.445 ( -4.438 2.215 1.642) 5.224 90.459 ( -4.782 0.712 1.656) 5.111 91.530 ( 7.887 11.977 -5.094) 15.218 91.679 ( 12.045 -3.069 -10.017) 15.963 ======================= Grid point 175 (85/116) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 4.743 0.000 11.653) 12.581 1.292 ( 4.999 0.000 11.517) 12.555 1.431 ( -9.246 0.000 -2.781) 9.656 1.598 ( -0.568 0.000 -4.088) 4.127 1.677 ( 11.118 0.000 -0.716) 11.141 1.841 ( -8.029 0.000 -11.867) 14.328 2.278 ( -9.515 0.000 9.588) 13.508 2.328 ( 6.233 0.000 9.299) 11.195 2.339 ( 17.911 0.000 22.397) 28.678 2.386 ( 2.965 0.000 -2.160) 3.668 2.484 ( -1.920 0.000 -6.314) 6.600 2.638 ( 1.279 0.000 4.326) 4.511 2.748 ( -4.011 0.000 -3.797) 5.524 2.763 ( -3.190 0.000 -12.739) 13.133 3.069 ( -8.441 0.000 -0.760) 8.475 3.082 ( 3.853 0.000 -0.815) 3.938 3.475 ( -2.250 0.000 4.294) 4.848 3.516 ( 4.867 0.000 3.084) 5.761 3.604 ( -2.744 0.000 -1.145) 2.973 3.671 ( 4.304 0.000 -4.598) 6.298 3.807 ( -5.532 0.000 3.249) 6.416 3.869 ( 1.361 0.000 -1.986) 2.407 3.918 ( -3.293 0.000 2.749) 4.290 4.005 ( 3.562 0.000 -4.918) 6.072 4.467 ( 5.779 0.000 4.327) 7.219 4.524 ( 14.074 0.000 2.555) 14.304 4.538 ( -4.454 0.000 -4.600) 6.403 4.684 ( -14.780 0.000 -9.506) 17.573 5.566 ( 5.645 0.000 6.087) 8.302 5.602 ( -6.267 0.000 0.651) 6.301 5.610 ( -0.805 0.000 5.513) 5.571 5.743 ( -0.659 0.000 -4.797) 4.842 6.262 ( -4.985 0.000 0.881) 5.063 6.313 ( 6.988 0.000 -3.668) 7.892 6.665 ( 3.842 0.000 5.335) 6.575 6.786 ( -3.720 0.000 -6.225) 7.252 7.666 ( 0.691 0.000 3.985) 4.044 7.706 ( 1.581 0.000 -0.739) 1.745 7.725 ( -1.276 0.000 -2.714) 2.999 7.778 ( -1.268 0.000 -6.649) 6.768 7.920 ( -4.555 0.000 4.063) 6.103 8.019 ( 4.960 0.000 -5.290) 7.252 8.216 ( -2.864 0.000 0.328) 2.883 8.241 ( 0.705 0.000 -2.181) 2.292 8.482 ( -1.216 0.000 1.527) 1.952 8.518 ( -0.182 0.000 -1.693) 1.703 8.798 ( 2.498 0.000 1.556) 2.943 8.829 ( -2.109 0.000 -1.731) 2.729 9.384 ( -3.754 0.000 4.431) 5.807 9.468 ( 3.412 0.000 -3.729) 5.054 9.725 ( -0.860 0.000 2.765) 2.896 9.778 ( 1.388 0.000 -2.327) 2.710 10.710 ( -0.823 0.000 0.502) 0.964 10.730 ( -1.000 0.000 -1.399) 1.720 11.110 ( -4.628 0.000 1.640) 4.910 11.167 ( 3.914 0.000 -3.763) 5.430 11.440 ( -3.175 0.000 5.686) 6.512 11.536 ( 3.720 0.000 -3.447) 5.072 11.622 ( -0.912 0.000 0.734) 1.171 11.625 ( 0.532 0.000 0.621) 0.818 12.293 ( 1.654 0.000 5.043) 5.307 12.403 ( -2.775 0.000 -5.833) 6.459 12.969 ( 4.141 0.000 3.713) 5.562 13.044 ( -3.783 0.000 -3.607) 5.227 13.837 ( -8.831 0.000 8.008) 11.921 13.993 ( 13.716 0.000 -7.135) 15.461 14.338 ( -1.368 0.000 3.639) 3.888 14.379 ( 2.972 0.000 -0.352) 2.993 21.369 ( 1.766 0.000 0.211) 1.778 21.388 ( -3.465 0.000 -1.634) 3.831 21.686 ( 1.006 0.000 3.337) 3.485 21.757 ( -0.827 0.000 -3.581) 3.675 23.264 ( -1.052 0.000 0.888) 1.376 23.285 ( 0.968 0.000 -1.197) 1.539 23.659 ( 4.244 0.000 3.832) 5.718 23.750 ( -5.179 0.000 -4.942) 7.158 23.862 ( 2.759 0.000 1.749) 3.267 23.866 ( -0.945 0.000 1.514) 1.785 24.028 ( -0.157 0.000 2.999) 3.003 24.109 ( 0.391 0.000 -4.715) 4.731 24.705 ( 0.448 0.000 0.651) 0.790 24.722 ( 0.287 0.000 -0.976) 1.017 25.197 ( 4.249 0.000 8.302) 9.326 25.362 ( -8.314 0.000 -7.595) 11.261 25.893 ( 3.637 0.000 0.029) 3.637 25.904 ( -2.746 0.000 -0.839) 2.871 26.271 ( -8.908 0.000 3.945) 9.743 26.340 ( 12.621 0.000 -2.685) 12.904 27.578 ( 0.207 0.000 2.054) 2.064 27.616 ( -0.058 0.000 -1.555) 1.556 27.738 ( -0.484 0.000 0.199) 0.523 27.738 ( 0.439 0.000 0.042) 0.441 29.741 ( 2.130 0.000 5.322) 5.733 29.852 ( -3.277 0.000 -5.360) 6.282 30.312 ( -5.772 0.000 3.511) 6.755 30.389 ( 4.877 0.000 -3.877) 6.230 47.758 ( 3.385 0.000 2.188) 4.031 47.798 ( -4.420 0.000 -1.598) 4.699 47.901 ( 5.134 0.000 -0.276) 5.141 47.904 ( -3.960 0.000 -0.385) 3.978 88.744 ( -0.859 0.000 -0.056) 0.861 88.750 ( 1.503 0.000 -0.657) 1.640 89.844 ( -16.651 0.000 10.271) 19.564 90.037 ( 24.119 0.000 -8.401) 25.540 90.299 ( 2.142 0.000 0.395) 2.178 90.308 ( -1.957 0.000 -0.464) 2.011 90.837 ( -1.151 0.000 2.488) 2.741 90.899 ( 3.114 0.000 -3.512) 4.694 ======================= Grid point 176 (86/116) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -5.411 0.000 -7.595) 9.326 1.346 ( 3.729 0.000 -3.872) 5.376 1.479 ( -1.200 0.000 8.302) 8.388 1.560 ( 4.796 0.000 1.871) 5.148 1.591 ( -7.140 0.000 -7.609) 10.435 1.834 ( 3.689 0.000 4.413) 5.751 2.135 ( -16.097 0.000 -7.004) 17.555 2.148 ( -13.413 0.000 4.532) 14.158 2.478 ( 0.538 0.000 -13.600) 13.611 2.513 ( -1.084 0.000 -16.134) 16.170 2.520 ( 3.819 0.000 7.520) 8.434 2.651 ( -1.982 0.000 -3.118) 3.694 2.755 ( 10.651 0.000 9.354) 14.175 2.757 ( 4.650 0.000 5.275) 7.032 3.022 ( -0.471 0.000 2.978) 3.015 3.184 ( 6.258 0.000 1.220) 6.376 3.448 ( -3.533 0.000 1.401) 3.800 3.540 ( -4.576 0.000 1.278) 4.751 3.581 ( 2.732 0.000 -3.794) 4.676 3.652 ( 0.386 0.000 -3.087) 3.111 3.821 ( 0.171 0.000 5.818) 5.820 3.908 ( 4.597 0.000 0.071) 4.598 3.917 ( -1.677 0.000 3.581) 3.954 4.026 ( 4.980 0.000 -4.900) 6.987 4.339 ( -12.855 0.000 -6.012) 14.191 4.446 ( -2.928 0.000 -5.531) 6.258 4.590 ( 5.494 0.000 2.906) 6.215 4.794 ( 9.235 0.000 7.550) 11.928 5.527 ( -1.244 0.000 -2.651) 2.928 5.654 ( -1.406 0.000 9.066) 9.174 5.703 ( 1.035 0.000 -2.867) 3.048 5.719 ( 7.555 0.000 0.919) 7.611 6.187 ( -4.715 0.000 0.636) 4.758 6.383 ( 6.021 0.000 -3.444) 6.936 6.653 ( -4.961 0.000 -6.198) 7.939 6.760 ( 0.872 0.000 5.748) 5.814 7.700 ( -0.291 0.000 -1.995) 2.016 7.708 ( 0.658 0.000 -4.037) 4.090 7.727 ( 2.020 0.000 3.823) 4.324 7.746 ( 2.021 0.000 2.401) 3.138 7.879 ( -5.190 0.000 4.523) 6.885 8.033 ( 3.023 0.000 -5.201) 6.016 8.194 ( -1.675 0.000 2.882) 3.334 8.257 ( 2.175 0.000 0.439) 2.219 8.511 ( 2.016 0.000 2.550) 3.251 8.520 ( 1.699 0.000 -0.325) 1.730 8.769 ( -2.938 0.000 -1.793) 3.442 8.838 ( 0.616 0.000 1.139) 1.295 9.370 ( -2.949 0.000 4.275) 5.194 9.486 ( 3.265 0.000 -3.932) 5.111 9.719 ( -2.622 0.000 2.102) 3.360 9.754 ( -1.072 0.000 -2.933) 3.123 10.721 ( 0.418 0.000 2.229) 2.268 10.727 ( 0.972 0.000 0.520) 1.102 11.075 ( -2.491 0.000 2.789) 3.739 11.207 ( 4.255 0.000 -2.059) 4.727 11.425 ( -4.523 0.000 4.751) 6.560 11.530 ( 0.638 0.000 -5.157) 5.197 11.631 ( 1.491 0.000 0.676) 1.638 11.640 ( 0.508 0.000 -0.384) 0.637 12.332 ( 0.095 0.000 -4.639) 4.640 12.399 ( 4.632 0.000 6.221) 7.756 12.928 ( -5.877 0.000 -3.874) 7.039 13.054 ( 2.037 0.000 3.404) 3.967 13.725 ( -11.757 0.000 3.553) 12.283 14.071 ( 7.169 0.000 -10.271) 12.526 14.328 ( -2.451 0.000 0.942) 2.626 14.400 ( 1.710 0.000 -3.466) 3.865 21.361 ( 0.724 0.000 -0.058) 0.727 21.443 ( 5.649 0.000 2.599) 6.218 21.697 ( -2.184 0.000 -3.616) 4.224 21.725 ( -0.103 0.000 3.393) 3.394 23.260 ( -0.649 0.000 1.091) 1.269 23.295 ( 1.563 0.000 -0.990) 1.850 23.635 ( -3.481 0.000 -3.306) 4.801 23.780 ( 4.837 0.000 4.723) 6.760 23.827 ( -3.534 0.000 -1.215) 3.737 23.889 ( 0.026 0.000 -1.391) 1.392 24.060 ( -0.246 0.000 3.389) 3.398 24.064 ( -0.274 0.000 -3.757) 3.767 24.712 ( 0.023 0.000 -1.390) 1.390 24.714 ( -0.002 0.000 0.209) 0.209 25.170 ( -7.551 0.000 -4.606) 8.845 25.343 ( 1.383 0.000 10.039) 10.134 25.846 ( -2.938 0.000 -1.117) 3.144 25.947 ( 2.783 0.000 -0.188) 2.789 26.160 ( -6.885 0.000 1.204) 6.989 26.489 ( 10.851 0.000 -6.064) 12.431 27.593 ( -0.611 0.000 -1.801) 1.902 27.599 ( 0.089 0.000 1.487) 1.489 27.728 ( -0.759 0.000 0.088) 0.765 27.745 ( 0.378 0.000 0.077) 0.385 29.708 ( -7.981 0.000 -3.021) 8.534 29.788 ( -2.998 0.000 4.883) 5.730 30.266 ( -4.577 0.000 3.628) 5.840 30.433 ( 4.340 0.000 -2.727) 5.126 47.717 ( -3.660 0.000 -1.462) 3.941 47.806 ( -3.112 0.000 1.940) 3.667 47.865 ( 2.596 0.000 -0.261) 2.609 47.977 ( 4.447 0.000 -0.426) 4.467 88.731 ( -0.589 0.000 -0.336) 0.678 88.769 ( 1.749 0.000 -0.668) 1.873 89.625 ( -17.925 0.000 3.677) 18.298 90.254 ( 16.015 0.000 -12.695) 20.436 90.281 ( -0.218 0.000 -1.802) 1.815 90.352 ( 3.762 0.000 0.409) 3.784 90.819 ( -3.607 0.000 1.698) 3.987 90.883 ( -0.010 0.000 -4.808) 4.808 ======================= Grid point 177 (87/116) ======================= q-point: ( 0.25 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -6.893 0.000 -4.702) 8.344 1.270 ( -10.106 0.000 -11.641) 15.416 1.280 ( 3.696 0.000 -15.275) 15.716 1.607 ( 2.429 0.000 1.011) 2.631 1.754 ( 9.432 0.000 6.493) 11.451 1.845 ( -12.821 0.000 8.495) 15.380 1.934 ( -3.806 0.000 2.653) 4.640 1.981 ( -6.193 0.000 -0.281) 6.200 2.247 ( -1.014 0.000 -19.677) 19.703 2.430 ( -1.528 0.000 -8.491) 8.627 2.472 ( -5.946 0.000 -6.252) 8.628 2.710 ( 2.994 0.000 4.388) 5.312 2.858 ( 3.585 0.000 1.199) 3.780 2.919 ( 4.597 0.000 4.194) 6.222 3.059 ( 1.851 0.000 1.658) 2.485 3.117 ( -9.340 0.000 -9.565) 13.368 3.430 ( -2.003 0.000 0.070) 2.004 3.496 ( -3.648 0.000 3.536) 5.081 3.562 ( 2.424 0.000 -6.786) 7.206 3.642 ( -0.093 0.000 -1.268) 1.272 3.820 ( -6.153 0.000 2.126) 6.509 3.982 ( 3.440 0.000 0.169) 3.444 3.993 ( 6.653 0.000 6.690) 9.435 4.064 ( 5.240 0.000 -4.792) 7.100 4.168 ( -8.024 0.000 2.229) 8.328 4.435 ( 7.811 0.000 -1.445) 7.943 4.682 ( 0.681 0.000 2.480) 2.572 4.869 ( -4.915 0.000 0.915) 4.999 5.568 ( 9.498 0.000 -1.413) 9.603 5.717 ( -1.613 0.000 8.815) 8.961 5.745 ( 5.553 0.000 1.091) 5.659 5.851 ( 7.039 0.000 1.802) 7.266 6.134 ( -2.681 0.000 1.130) 2.910 6.441 ( 5.398 0.000 -6.426) 8.392 6.525 ( -3.241 0.000 -2.790) 4.276 6.797 ( -3.238 0.000 5.647) 6.510 7.659 ( -0.157 0.000 -3.225) 3.229 7.738 ( 3.648 0.000 0.535) 3.687 7.752 ( -4.683 0.000 2.029) 5.104 7.814 ( 2.975 0.000 4.265) 5.200 7.883 ( 0.131 0.000 5.926) 5.928 8.027 ( 2.388 0.000 -4.338) 4.952 8.223 ( -0.072 0.000 5.853) 5.854 8.306 ( 2.064 0.000 1.983) 2.862 8.559 ( 2.169 0.000 1.218) 2.488 8.576 ( 3.001 0.000 1.282) 3.264 8.708 ( -2.225 0.000 -1.922) 2.940 8.838 ( -2.063 0.000 1.311) 2.444 9.372 ( -1.835 0.000 3.915) 4.324 9.490 ( 2.457 0.000 -4.967) 5.542 9.688 ( -3.108 0.000 1.448) 3.429 9.697 ( -1.790 0.000 -3.208) 3.673 10.765 ( 1.098 0.000 4.248) 4.388 10.766 ( 2.452 0.000 1.506) 2.878 11.077 ( -1.002 0.000 3.059) 3.219 11.249 ( 2.200 0.000 -1.097) 2.458 11.397 ( -4.225 0.000 4.684) 6.308 11.480 ( 0.193 0.000 -5.576) 5.579 11.626 ( -1.039 0.000 -1.654) 1.954 11.660 ( 0.971 0.000 -0.524) 1.104 12.312 ( 2.551 0.000 -3.740) 4.527 12.538 ( 3.354 0.000 5.290) 6.264 12.802 ( -4.101 0.000 -1.948) 4.540 13.102 ( 0.120 0.000 2.865) 2.867 13.560 ( -8.715 0.000 -0.180) 8.717 14.052 ( 3.845 0.000 -11.001) 11.654 14.279 ( -3.432 0.000 -1.077) 3.597 14.363 ( -0.355 0.000 -6.404) 6.414 21.396 ( 2.759 0.000 0.786) 2.869 21.586 ( 5.091 0.000 3.601) 6.236 21.629 ( -0.300 0.000 -1.566) 1.594 21.753 ( -0.333 0.000 3.493) 3.509 23.264 ( -0.419 0.000 1.491) 1.549 23.314 ( 1.845 0.000 -1.061) 2.128 23.588 ( 0.283 0.000 -0.492) 0.568 23.750 ( -3.617 0.000 -1.605) 3.957 23.828 ( -2.120 0.000 -2.786) 3.501 23.907 ( 3.392 0.000 3.133) 4.617 24.027 ( -0.869 0.000 -2.809) 2.940 24.071 ( -1.367 0.000 1.266) 1.863 24.697 ( -0.025 0.000 -1.576) 1.576 24.710 ( -0.382 0.000 -0.134) 0.404 25.030 ( -5.511 0.000 -2.267) 5.959 25.378 ( -7.567 0.000 5.334) 9.258 25.803 ( -1.516 0.000 0.439) 1.578 25.973 ( 1.360 0.000 -1.433) 1.975 26.121 ( 0.649 0.000 2.979) 3.049 26.576 ( 8.367 0.000 -7.870) 11.487 27.566 ( -0.736 0.000 -1.310) 1.503 27.605 ( -0.434 0.000 0.092) 0.444 27.721 ( -0.420 0.000 0.656) 0.779 27.753 ( 0.497 0.000 0.006) 0.497 29.565 ( -7.041 0.000 -0.403) 7.053 29.740 ( -6.826 0.000 2.321) 7.210 30.230 ( -4.260 0.000 3.785) 5.698 30.460 ( 1.762 0.000 -2.686) 3.212 47.656 ( -2.289 0.000 -1.013) 2.503 47.742 ( -4.203 0.000 -0.208) 4.208 47.934 ( 3.533 0.000 1.595) 3.876 48.034 ( 3.289 0.000 -0.720) 3.367 88.719 ( -0.337 0.000 -0.397) 0.521 88.793 ( 1.691 0.000 -0.643) 1.809 89.386 ( -11.122 0.000 -0.733) 11.146 90.245 ( 1.519 0.000 -9.429) 9.551 90.344 ( 9.013 0.000 -8.465) 12.365 90.425 ( 4.898 0.000 0.035) 4.898 90.756 ( -5.576 0.000 0.835) 5.638 90.814 ( -2.702 0.000 -4.093) 4.905 ======================= Grid point 178 (88/116) ======================= q-point: ( 0.38 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -6.834 0.000 6.067) 9.138 1.074 ( 4.052 0.000 -10.797) 11.533 1.213 ( 6.747 0.000 -15.555) 16.955 1.608 ( -18.845 0.000 1.381) 18.895 1.709 ( 8.470 0.000 2.337) 8.787 1.897 ( 4.471 0.000 -5.721) 7.261 1.956 ( -0.478 0.000 2.298) 2.347 1.977 ( -1.991 0.000 12.917) 13.069 2.104 ( 3.830 0.000 -10.681) 11.346 2.266 ( -10.557 0.000 -7.684) 13.057 2.311 ( -1.105 0.000 -9.722) 9.784 2.761 ( -10.531 0.000 -14.155) 17.643 2.780 ( -4.035 0.000 0.684) 4.092 2.893 ( 0.862 0.000 -1.396) 1.641 3.026 ( 1.514 0.000 7.374) 7.528 3.118 ( 4.058 0.000 0.749) 4.126 3.402 ( -1.171 0.000 1.111) 1.614 3.480 ( -2.301 0.000 2.221) 3.198 3.537 ( 1.836 0.000 -5.494) 5.793 3.600 ( -3.897 0.000 -1.612) 4.217 3.784 ( -0.930 0.000 5.116) 5.200 4.011 ( 1.223 0.000 -1.980) 2.328 4.045 ( -4.127 0.000 -1.922) 4.552 4.093 ( 4.094 0.000 -5.638) 6.968 4.168 ( 2.420 0.000 8.145) 8.497 4.567 ( -11.834 0.000 -3.833) 12.439 4.632 ( 13.698 0.000 0.521) 13.708 4.812 ( -2.296 0.000 1.248) 2.613 5.747 ( 10.458 0.000 2.120) 10.671 5.774 ( -2.298 0.000 9.428) 9.704 5.878 ( 6.989 0.000 2.290) 7.354 5.961 ( 3.182 0.000 2.321) 3.939 6.119 ( -1.186 0.000 1.782) 2.141 6.360 ( -1.311 0.000 -9.797) 9.884 6.585 ( 8.146 0.000 0.314) 8.152 6.767 ( -6.816 0.000 5.148) 8.542 7.634 ( 0.663 0.000 -2.645) 2.727 7.672 ( -5.851 0.000 0.949) 5.928 7.829 ( 5.637 0.000 1.901) 5.949 7.895 ( 0.944 0.000 4.966) 5.055 7.949 ( 1.158 0.000 3.728) 3.904 8.030 ( 2.342 0.000 -3.269) 4.021 8.294 ( 0.449 0.000 7.350) 7.364 8.362 ( 2.218 0.000 2.893) 3.646 8.595 ( -0.452 0.000 1.379) 1.451 8.619 ( 1.967 0.000 -1.002) 2.208 8.673 ( 1.177 0.000 -1.800) 2.151 8.793 ( -5.114 0.000 1.268) 5.269 9.381 ( -1.910 0.000 3.644) 4.114 9.475 ( 2.750 0.000 -5.943) 6.548 9.649 ( -3.106 0.000 0.970) 3.254 9.650 ( -0.223 0.000 -2.540) 2.550 10.828 ( 0.455 0.000 5.088) 5.108 10.830 ( 3.400 0.000 1.737) 3.818 11.096 ( -0.258 0.000 2.637) 2.649 11.248 ( 0.055 0.000 -2.641) 2.642 11.388 ( -2.863 0.000 5.539) 6.235 11.442 ( 1.284 0.000 -4.037) 4.236 11.576 ( -2.604 0.000 -2.322) 3.489 11.632 ( -1.620 0.000 -3.628) 3.973 12.345 ( 4.763 0.000 -2.115) 5.211 12.515 ( -7.076 0.000 -0.572) 7.099 12.849 ( 6.173 0.000 4.639) 7.722 13.105 ( -2.291 0.000 1.043) 2.517 13.499 ( 0.141 0.000 3.467) 3.470 13.988 ( 1.730 0.000 -11.796) 11.922 14.203 ( -3.947 0.000 -1.628) 4.269 14.272 ( -1.725 0.000 -7.769) 7.958 21.451 ( 2.770 0.000 0.634) 2.842 21.549 ( -2.756 0.000 -1.404) 3.093 21.761 ( 5.627 0.000 4.505) 7.209 21.791 ( 0.783 0.000 3.674) 3.757 23.274 ( -0.385 0.000 1.936) 1.974 23.330 ( 1.570 0.000 -1.447) 2.135 23.628 ( 2.953 0.000 1.448) 3.289 23.704 ( -0.470 0.000 1.065) 1.164 23.761 ( -2.140 0.000 -2.704) 3.448 23.941 ( -2.220 0.000 -0.851) 2.378 23.991 ( 0.037 0.000 -1.423) 1.423 24.041 ( -1.760 0.000 -1.765) 2.493 24.682 ( -0.128 0.000 -1.206) 1.213 24.701 ( -0.428 0.000 -0.459) 0.627 24.954 ( -2.610 0.000 0.847) 2.744 25.235 ( -10.067 0.000 -1.577) 10.190 25.805 ( -0.220 0.000 2.635) 2.644 25.963 ( 0.213 0.000 -3.067) 3.074 26.221 ( 3.790 0.000 7.511) 8.414 26.603 ( 5.102 0.000 -9.312) 10.618 27.548 ( -0.350 0.000 -0.432) 0.556 27.590 ( -0.505 0.000 -1.171) 1.275 27.729 ( 0.277 0.000 1.193) 1.225 27.761 ( 0.390 0.000 -0.047) 0.393 29.485 ( -3.538 0.000 1.831) 3.984 29.634 ( -6.678 0.000 -0.229) 6.682 30.210 ( -3.081 0.000 4.829) 5.728 30.432 ( -0.467 0.000 -4.772) 4.795 47.625 ( -0.564 0.000 -0.469) 0.734 47.678 ( -3.049 0.000 -0.640) 3.116 47.997 ( 2.152 0.000 1.793) 2.801 48.067 ( 1.687 0.000 -1.059) 1.992 88.714 ( 0.038 0.000 -0.008) 0.039 88.795 ( -0.225 0.000 -1.961) 1.974 89.318 ( 1.500 0.000 4.308) 4.561 90.116 ( -1.302 0.000 -18.391) 18.438 90.407 ( 5.644 0.000 -2.739) 6.274 90.503 ( 4.846 0.000 -1.074) 4.963 90.664 ( -6.332 0.000 1.078) 6.423 90.731 ( -3.171 0.000 -2.461) 4.014 ======================= Grid point 179 (89/116) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -10.149 0.000 11.656) 15.455 1.164 ( -1.203 0.000 -9.532) 9.608 1.238 ( 17.704 0.000 0.373) 17.707 1.316 ( -10.917 0.000 -7.381) 13.178 1.845 ( 2.281 0.000 2.249) 3.203 1.875 ( -2.815 0.000 0.043) 2.815 1.974 ( -11.923 0.000 -1.477) 12.014 1.990 ( 8.054 0.000 -1.628) 8.217 2.080 ( -3.256 0.000 2.967) 4.405 2.197 ( 10.813 0.000 3.737) 11.441 2.231 ( 2.999 0.000 -9.155) 9.634 2.369 ( -13.201 0.000 -11.228) 17.330 2.818 ( 1.433 0.000 1.501) 2.075 2.864 ( -1.865 0.000 -2.466) 3.092 3.105 ( -1.260 0.000 7.071) 7.183 3.193 ( 4.599 0.000 -1.754) 4.922 3.413 ( 1.286 0.000 1.683) 2.118 3.443 ( -2.498 0.000 -0.905) 2.657 3.508 ( -5.833 0.000 0.716) 5.877 3.537 ( 2.978 0.000 -2.174) 3.687 3.868 ( 2.909 0.000 5.772) 6.464 3.988 ( 0.055 0.000 -5.095) 5.095 3.992 ( -2.468 0.000 2.627) 3.605 4.063 ( -1.670 0.000 -4.988) 5.261 4.285 ( 5.658 0.000 4.179) 7.034 4.373 ( -4.571 0.000 -4.385) 6.334 4.763 ( -6.185 0.000 1.580) 6.384 4.814 ( 9.341 0.000 -3.114) 9.846 5.809 ( -5.223 0.000 8.400) 9.891 5.922 ( 7.464 0.000 2.896) 8.006 5.960 ( 1.521 0.000 -0.947) 1.791 5.983 ( -2.575 0.000 1.107) 2.803 6.123 ( -1.661 0.000 3.518) 3.891 6.258 ( 0.186 0.000 -8.613) 8.615 6.685 ( -7.929 0.000 3.141) 8.529 6.739 ( 10.746 0.000 -1.662) 10.874 7.603 ( -3.767 0.000 1.581) 4.086 7.635 ( 2.186 0.000 -1.576) 2.695 7.919 ( -2.848 0.000 2.326) 3.678 7.938 ( 5.581 0.000 0.777) 5.634 7.988 ( 0.939 0.000 1.174) 1.503 8.029 ( 1.324 0.000 -3.311) 3.566 8.365 ( -0.673 0.000 6.465) 6.500 8.436 ( 3.368 0.000 1.092) 3.541 8.570 ( -2.166 0.000 0.768) 2.298 8.617 ( 0.372 0.000 -2.779) 2.803 8.712 ( -5.258 0.000 0.786) 5.316 8.716 ( 4.183 0.000 0.161) 4.186 9.376 ( -3.154 0.000 3.676) 4.844 9.471 ( 3.309 0.000 -5.427) 6.357 9.612 ( -2.442 0.000 1.159) 2.703 9.643 ( 1.852 0.000 -1.651) 2.481 10.860 ( -2.001 0.000 3.523) 4.052 10.899 ( 3.321 0.000 0.406) 3.346 11.122 ( 0.513 0.000 2.761) 2.808 11.211 ( 0.412 0.000 -4.919) 4.936 11.414 ( -1.051 0.000 5.563) 5.661 11.450 ( 2.235 0.000 -0.600) 2.314 11.503 ( -3.752 0.000 -0.918) 3.862 11.566 ( -0.458 0.000 -4.782) 4.804 12.393 ( -6.921 0.000 0.539) 6.942 12.413 ( 5.545 0.000 -1.215) 5.676 12.996 ( 5.850 0.000 3.794) 6.972 13.051 ( -4.171 0.000 -1.410) 4.403 13.607 ( 3.480 0.000 9.702) 10.307 13.857 ( -2.842 0.000 -14.198) 14.479 14.137 ( -2.722 0.000 0.322) 2.741 14.188 ( 0.021 0.000 -4.825) 4.825 21.494 ( 2.087 0.000 0.222) 2.099 21.500 ( -2.236 0.000 -0.450) 2.281 21.841 ( 1.286 0.000 2.036) 2.408 21.848 ( 1.603 0.000 1.257) 2.037 23.287 ( -0.597 0.000 2.203) 2.282 23.332 ( 0.691 0.000 -2.016) 2.131 23.670 ( 1.396 0.000 1.355) 1.945 23.710 ( -1.434 0.000 -2.127) 2.565 23.782 ( 4.703 0.000 4.573) 6.559 23.866 ( -3.751 0.000 -3.166) 4.908 23.963 ( -2.119 0.000 -0.354) 2.149 23.999 ( -0.166 0.000 -2.605) 2.610 24.674 ( -0.069 0.000 -0.003) 0.069 24.687 ( -0.379 0.000 -0.847) 0.928 24.979 ( 2.250 0.000 5.271) 5.731 25.073 ( -6.176 0.000 -3.227) 6.968 25.842 ( 0.774 0.000 3.632) 3.714 25.926 ( -0.151 0.000 -4.258) 4.260 26.347 ( 0.986 0.000 9.054) 9.108 26.554 ( 0.908 0.000 -10.914) 10.951 27.549 ( 0.456 0.000 0.378) 0.592 27.571 ( -0.045 0.000 -1.719) 1.720 27.747 ( 0.296 0.000 1.019) 1.061 27.761 ( -0.119 0.000 -0.352) 0.371 29.493 ( 1.513 0.000 3.603) 3.908 29.541 ( -3.404 0.000 -1.300) 3.644 30.232 ( -0.869 0.000 6.524) 6.582 30.371 ( 0.155 0.000 -6.370) 6.372 47.629 ( 1.246 0.000 0.066) 1.248 47.635 ( -1.510 0.000 -0.536) 1.602 48.035 ( 0.386 0.000 1.673) 1.717 48.067 ( -0.195 0.000 -1.397) 1.411 88.723 ( 0.490 0.000 0.898) 1.023 88.761 ( -0.639 0.000 -2.595) 2.672 89.485 ( 6.588 0.000 13.039) 14.609 89.844 ( -7.449 0.000 -21.882) 23.115 90.465 ( 1.804 0.000 1.178) 2.155 90.507 ( -3.515 0.000 -2.373) 4.242 90.630 ( 1.426 0.000 2.167) 2.595 90.678 ( 0.096 0.000 -2.452) 2.454 ======================= Grid point 180 (90/116) ======================= q-point: (-0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -9.843 0.000 15.906) 18.705 0.922 ( -17.702 0.000 2.032) 17.818 1.182 ( 2.982 0.000 -12.036) 12.399 1.560 ( 17.331 0.000 4.815) 17.988 1.715 ( -16.892 0.000 4.512) 17.484 1.857 ( -0.448 0.000 -1.256) 1.334 1.876 ( 0.937 0.000 -0.040) 0.938 2.046 ( -3.218 0.000 2.467) 4.055 2.153 ( 10.088 0.000 3.167) 10.574 2.205 ( -1.353 0.000 -1.310) 1.883 2.208 ( 4.264 0.000 -8.259) 9.295 2.497 ( 15.252 0.000 9.115) 17.768 2.803 ( -2.223 0.000 -1.287) 2.569 2.851 ( 0.239 0.000 2.177) 2.190 3.114 ( -2.293 0.000 1.869) 2.959 3.177 ( -1.664 0.000 -6.458) 6.669 3.432 ( 1.846 0.000 -1.235) 2.222 3.442 ( -4.292 0.000 3.382) 5.464 3.490 ( 4.813 0.000 2.375) 5.367 3.575 ( 2.310 0.000 0.743) 2.427 3.907 ( -1.047 0.000 -6.504) 6.588 3.946 ( 0.223 0.000 4.004) 4.010 3.993 ( -2.158 0.000 4.095) 4.629 4.011 ( -0.742 0.000 0.334) 0.813 4.323 ( 3.175 0.000 -6.492) 7.226 4.470 ( 11.941 0.000 5.037) 12.960 4.633 ( -10.760 0.000 -0.009) 10.760 4.872 ( 3.128 0.000 -5.050) 5.940 5.736 ( -10.752 0.000 3.150) 11.204 5.902 ( -8.195 0.000 0.033) 8.195 5.921 ( -3.545 0.000 -1.751) 3.954 5.999 ( 0.080 0.000 -3.019) 3.020 6.159 ( 0.333 0.000 8.762) 8.768 6.204 ( 2.076 0.000 -6.338) 6.669 6.588 ( -5.323 0.000 -0.133) 5.325 6.870 ( 8.366 0.000 -4.297) 9.405 7.583 ( -1.256 0.000 2.430) 2.735 7.678 ( 3.868 0.000 0.189) 3.873 7.857 ( -5.155 0.000 -0.576) 5.187 7.998 ( -0.516 0.000 -0.120) 0.529 8.003 ( 3.331 0.000 -4.321) 5.456 8.013 ( 1.370 0.000 -3.054) 3.347 8.376 ( -3.074 0.000 2.219) 3.791 8.435 ( -0.066 0.000 -5.791) 5.792 8.577 ( -0.634 0.000 2.987) 3.054 8.613 ( 1.987 0.000 -0.848) 2.160 8.648 ( -3.768 0.000 0.740) 3.840 8.805 ( 5.980 0.000 0.623) 6.013 9.358 ( -3.512 0.000 4.858) 5.994 9.467 ( 2.251 0.000 -4.741) 5.248 9.600 ( -0.968 0.000 2.217) 2.420 9.674 ( 3.478 0.000 -1.367) 3.737 10.835 ( -3.551 0.000 1.207) 3.750 10.924 ( 1.056 0.000 -3.490) 3.646 11.176 ( 2.053 0.000 3.856) 4.369 11.178 ( 1.669 0.000 -5.161) 5.425 11.395 ( -3.884 0.000 0.403) 3.905 11.473 ( 1.316 0.000 -1.800) 2.230 11.523 ( 2.051 0.000 7.062) 7.354 11.550 ( 2.174 0.000 -0.924) 2.362 12.307 ( -5.438 0.000 1.783) 5.722 12.507 ( 6.784 0.000 0.092) 6.785 12.941 ( -6.043 0.000 -3.934) 7.210 13.099 ( 3.740 0.000 1.546) 4.047 13.642 ( -6.146 0.000 -11.426) 12.974 13.748 ( 0.242 0.000 11.256) 11.259 14.140 ( 0.343 0.000 4.546) 4.559 14.188 ( 2.801 0.000 -0.588) 2.862 21.462 ( -2.203 0.000 -0.378) 2.236 21.529 ( 2.014 0.000 0.560) 2.090 21.839 ( -2.180 0.000 -2.761) 3.518 21.850 ( -0.292 0.000 -1.912) 1.934 23.294 ( -1.133 0.000 2.006) 2.303 23.318 ( 0.185 0.000 -2.139) 2.147 23.667 ( -1.417 0.000 -2.401) 2.788 23.711 ( 1.460 0.000 2.121) 2.575 23.758 ( -4.067 0.000 -4.182) 5.833 23.893 ( 3.801 0.000 3.348) 5.065 23.971 ( 1.197 0.000 4.612) 4.765 23.992 ( 0.981 0.000 -1.171) 1.528 24.676 ( -0.124 0.000 -0.413) 0.431 24.682 ( 0.390 0.000 1.140) 1.204 24.984 ( -1.649 0.000 -1.712) 2.377 25.130 ( 8.334 0.000 8.125) 11.639 25.883 ( 0.350 0.000 -4.556) 4.570 25.893 ( 0.997 0.000 3.506) 3.645 26.416 ( -3.183 0.000 8.682) 9.247 26.420 ( -3.730 0.000 -11.802) 12.378 27.557 ( 0.216 0.000 -1.399) 1.416 27.569 ( 1.272 0.000 0.743) 1.473 27.751 ( -0.353 0.000 -0.810) 0.884 27.753 ( -0.540 0.000 0.624) 0.825 29.508 ( 0.618 0.000 -0.631) 0.883 29.602 ( 7.189 0.000 3.498) 7.995 30.306 ( 1.189 0.000 7.396) 7.491 30.328 ( 2.355 0.000 -6.230) 6.660 47.621 ( 0.159 0.000 -0.080) 0.178 47.666 ( 2.959 0.000 0.512) 3.003 48.033 ( -2.046 0.000 -1.672) 2.642 48.042 ( -1.404 0.000 1.368) 1.960 88.734 ( 0.051 0.000 -1.868) 1.868 88.750 ( 1.074 0.000 2.068) 2.330 89.499 ( -9.995 0.000 -15.120) 18.125 89.725 ( 3.335 0.000 17.477) 17.792 90.408 ( -5.533 0.000 -1.130) 5.647 90.467 ( -3.418 0.000 2.152) 4.039 90.693 ( 3.422 0.000 1.375) 3.688 90.701 ( 5.203 0.000 -2.269) 5.676 ======================= Grid point 181 (91/116) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -2.713 0.000 16.632) 16.851 0.931 ( -4.459 0.000 18.466) 18.997 1.188 ( 6.505 0.000 -0.486) 6.524 1.551 ( -6.882 0.000 5.579) 8.860 1.756 ( -5.097 0.000 2.329) 5.604 1.921 ( 16.591 0.000 -0.519) 16.599 1.924 ( -2.084 0.000 8.337) 8.593 2.038 ( 3.438 0.000 -3.880) 5.184 2.177 ( 3.961 0.000 -13.408) 13.981 2.232 ( -0.578 0.000 8.657) 8.677 2.341 ( 6.973 0.000 5.299) 8.758 2.683 ( -2.795 0.000 5.780) 6.420 2.862 ( -0.650 0.000 0.654) 0.922 2.918 ( 12.986 0.000 7.639) 15.066 3.058 ( -3.946 0.000 -7.476) 8.454 3.087 ( -1.306 0.000 -1.001) 1.646 3.432 ( -0.512 0.000 0.790) 0.942 3.432 ( -1.755 0.000 3.826) 4.210 3.578 ( 5.352 0.000 -2.868) 6.072 3.620 ( 1.879 0.000 0.852) 2.063 3.878 ( 2.164 0.000 -2.499) 3.306 3.947 ( -3.999 0.000 3.446) 5.279 3.998 ( -1.416 0.000 1.931) 2.394 4.022 ( 0.093 0.000 0.434) 0.444 4.324 ( 6.259 0.000 -8.676) 10.698 4.435 ( -10.836 0.000 -1.659) 10.963 4.711 ( 7.461 0.000 0.954) 7.522 4.854 ( 2.900 0.000 -0.196) 2.907 5.549 ( -13.284 0.000 0.763) 13.306 5.737 ( -11.100 0.000 1.115) 11.155 5.831 ( -6.015 0.000 -0.615) 6.046 5.908 ( -4.868 0.000 -4.001) 6.301 6.197 ( 3.671 0.000 -4.595) 5.881 6.269 ( 1.520 0.000 7.857) 8.003 6.524 ( -1.057 0.000 -1.425) 1.774 6.919 ( 3.876 0.000 -5.942) 7.094 7.601 ( 0.093 0.000 2.627) 2.629 7.749 ( 3.243 0.000 1.339) 3.509 7.766 ( -4.171 0.000 -1.443) 4.414 7.964 ( 0.824 0.000 -8.604) 8.643 7.974 ( -2.125 0.000 0.227) 2.137 8.005 ( 1.807 0.000 -5.570) 5.856 8.333 ( -3.115 0.000 -0.092) 3.116 8.359 ( -1.043 0.000 -7.143) 7.219 8.574 ( -2.019 0.000 1.259) 2.380 8.579 ( -3.603 0.000 -0.793) 3.689 8.669 ( 2.709 0.000 1.819) 3.264 8.877 ( 2.898 0.000 -2.127) 3.595 9.373 ( -1.730 0.000 6.303) 6.536 9.456 ( 1.976 0.000 -4.241) 4.679 9.628 ( 1.036 0.000 3.429) 3.582 9.720 ( 3.736 0.000 -1.572) 4.054 10.782 ( -3.247 0.000 -0.099) 3.249 10.869 ( -1.686 0.000 -5.669) 5.915 11.161 ( 2.248 0.000 -4.990) 5.473 11.232 ( 0.184 0.000 1.044) 1.060 11.364 ( -2.231 0.000 5.004) 5.479 11.476 ( 2.444 0.000 -2.758) 3.685 11.590 ( 1.647 0.000 1.393) 2.157 11.625 ( 1.991 0.000 3.346) 3.893 12.245 ( -4.192 0.000 2.615) 4.941 12.609 ( 3.819 0.000 -1.237) 4.014 12.808 ( -3.462 0.000 -2.825) 4.468 13.147 ( 1.365 0.000 -1.172) 1.799 13.546 ( 4.357 0.000 0.225) 4.363 13.829 ( -3.074 0.000 10.652) 11.087 14.219 ( 1.447 0.000 7.054) 7.201 14.249 ( 3.592 0.000 1.491) 3.889 21.417 ( -2.416 0.000 -1.026) 2.625 21.574 ( 2.195 0.000 1.550) 2.687 21.707 ( -8.008 0.000 -5.964) 9.985 21.821 ( 0.061 0.000 -3.026) 3.026 23.289 ( -1.516 0.000 1.415) 2.073 23.300 ( 0.157 0.000 -1.931) 1.938 23.601 ( -2.656 0.000 -2.045) 3.352 23.723 ( 1.569 0.000 0.794) 1.758 23.762 ( 1.830 0.000 3.097) 3.598 23.967 ( 1.615 0.000 0.092) 1.618 23.975 ( -1.340 0.000 -0.258) 1.365 24.061 ( 4.043 0.000 2.809) 4.923 24.677 ( 0.184 0.000 0.449) 0.485 24.703 ( 0.807 0.000 0.842) 1.166 24.987 ( 1.790 0.000 1.691) 2.462 25.386 ( 13.261 0.000 5.195) 14.242 25.853 ( 1.070 0.000 -4.161) 4.296 25.934 ( 0.276 0.000 2.322) 2.339 26.228 ( -5.881 0.000 -8.323) 10.191 26.415 ( -6.596 0.000 7.704) 10.142 27.552 ( 0.050 0.000 -0.088) 0.101 27.599 ( 1.542 0.000 0.476) 1.614 27.738 ( -0.069 0.000 -0.932) 0.934 27.746 ( -0.881 0.000 0.638) 1.088 29.547 ( 3.601 0.000 1.205) 3.797 29.766 ( 9.749 0.000 0.109) 9.749 30.326 ( 4.142 0.000 -5.315) 6.738 30.387 ( 0.145 0.000 4.961) 4.963 47.639 ( 1.754 0.000 0.582) 1.848 47.732 ( 4.363 0.000 0.695) 4.418 47.971 ( -3.446 0.000 -1.877) 3.924 48.018 ( -2.894 0.000 0.930) 3.039 88.726 ( 0.740 0.000 -1.104) 1.329 88.779 ( -0.316 0.000 0.927) 0.979 89.359 ( 5.120 0.000 0.697) 5.167 89.902 ( -3.327 0.000 17.799) 18.108 90.320 ( -3.825 0.000 -0.689) 3.886 90.415 ( -4.408 0.000 1.034) 4.527 90.759 ( 2.726 0.000 1.751) 3.240 90.778 ( 6.002 0.000 -1.366) 6.156 ======================= Grid point 182 (92/116) ======================= q-point: (-0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 2.490 0.000 14.926) 15.132 1.087 ( 1.396 0.000 17.533) 17.589 1.396 ( 13.283 0.000 7.081) 15.052 1.621 ( -9.084 0.000 -3.283) 9.659 1.623 ( 6.285 0.000 2.954) 6.945 1.961 ( 0.295 0.000 13.035) 13.038 2.054 ( -2.254 0.000 -13.954) 14.135 2.131 ( 7.279 0.000 4.085) 8.347 2.198 ( 16.059 0.000 -0.523) 16.068 2.303 ( -4.251 0.000 11.242) 12.019 2.474 ( 2.311 0.000 6.528) 6.925 2.674 ( -2.534 0.000 0.438) 2.572 2.833 ( -2.468 0.000 -2.020) 3.189 2.902 ( -5.168 0.000 -7.244) 8.899 3.063 ( 0.147 0.000 -1.244) 1.252 3.144 ( 3.205 0.000 4.865) 5.826 3.445 ( 0.554 0.000 1.294) 1.408 3.456 ( -1.867 0.000 5.802) 6.095 3.621 ( 5.654 0.000 -4.670) 7.333 3.639 ( -0.114 0.000 -0.730) 0.739 3.879 ( -1.019 0.000 -0.155) 1.030 3.893 ( -6.031 0.000 1.971) 6.345 3.966 ( -3.787 0.000 0.601) 3.834 4.003 ( 2.076 0.000 -4.830) 5.257 4.338 ( 1.186 0.000 1.251) 1.724 4.377 ( 8.549 0.000 -4.944) 9.875 4.654 ( -5.217 0.000 -3.487) 6.275 4.932 ( -2.742 0.000 -4.325) 5.121 5.431 ( -0.820 0.000 5.935) 5.991 5.618 ( -6.528 0.000 4.723) 8.058 5.714 ( -8.439 0.000 1.327) 8.543 5.809 ( -1.739 0.000 -5.036) 5.328 6.237 ( 6.242 0.000 -3.732) 7.273 6.314 ( -3.018 0.000 3.141) 4.356 6.554 ( 3.910 0.000 2.776) 4.795 6.885 ( -0.576 0.000 -6.322) 6.348 7.629 ( 0.020 0.000 2.900) 2.900 7.710 ( -0.880 0.000 -1.415) 1.667 7.775 ( -1.172 0.000 -0.797) 1.417 7.871 ( -0.837 0.000 -8.998) 9.037 7.946 ( -2.898 0.000 2.503) 3.830 7.992 ( 4.518 0.000 -6.326) 7.774 8.274 ( -3.525 0.000 -0.808) 3.617 8.278 ( -0.788 0.000 -5.351) 5.409 8.516 ( -3.423 0.000 0.015) 3.423 8.547 ( -1.567 0.000 -0.620) 1.685 8.735 ( 3.071 0.000 1.777) 3.548 8.870 ( -0.466 0.000 -2.272) 2.319 9.395 ( -2.836 0.000 4.994) 5.743 9.454 ( 2.738 0.000 -3.899) 4.764 9.688 ( 1.500 0.000 3.499) 3.807 9.760 ( 3.133 0.000 -1.885) 3.656 10.735 ( -2.196 0.000 -0.307) 2.217 10.785 ( -2.233 0.000 -4.070) 4.642 11.154 ( 2.885 0.000 -4.725) 5.537 11.187 ( -4.963 0.000 -0.136) 4.965 11.409 ( -0.651 0.000 6.548) 6.580 11.501 ( 3.663 0.000 -2.552) 4.465 11.620 ( 0.271 0.000 1.264) 1.293 11.631 ( -1.799 0.000 0.554) 1.882 12.241 ( -0.755 0.000 4.273) 4.339 12.532 ( -4.857 0.000 -6.689) 8.266 12.853 ( 5.283 0.000 3.299) 6.228 13.120 ( -1.605 0.000 -3.016) 3.416 13.762 ( 17.341 0.000 0.410) 17.346 13.862 ( -5.441 0.000 10.063) 11.439 14.300 ( 0.152 0.000 6.139) 6.141 14.321 ( 3.295 0.000 1.438) 3.595 21.373 ( -1.296 0.000 -1.080) 1.687 21.512 ( -8.154 0.000 -4.179) 9.163 21.631 ( 1.889 0.000 2.781) 3.362 21.794 ( 0.200 0.000 -3.265) 3.271 23.276 ( -1.455 0.000 0.964) 1.746 23.287 ( 0.438 0.000 -1.563) 1.624 23.585 ( 1.233 0.000 1.435) 1.893 23.786 ( 3.446 0.000 2.525) 4.272 23.826 ( 1.601 0.000 3.297) 3.665 23.883 ( -4.433 0.000 -4.379) 6.231 24.008 ( 0.101 0.000 2.112) 2.114 24.122 ( 2.714 0.000 -2.252) 3.527 24.689 ( 0.483 0.000 0.875) 0.999 24.719 ( 0.748 0.000 -0.215) 0.779 25.066 ( 3.559 0.000 5.207) 6.307 25.527 ( 1.098 0.000 -7.110) 7.194 25.842 ( 2.350 0.000 -1.362) 2.717 25.940 ( -1.280 0.000 0.518) 1.381 26.174 ( 6.295 0.000 -0.289) 6.302 26.361 ( -8.342 0.000 6.354) 10.486 27.558 ( -0.007 0.000 1.457) 1.457 27.620 ( 0.895 0.000 -0.510) 1.030 27.733 ( 0.331 0.000 -0.468) 0.573 27.741 ( -0.478 0.000 0.559) 0.736 29.639 ( 4.483 0.000 3.534) 5.708 29.881 ( 5.651 0.000 -4.032) 6.942 30.351 ( 4.786 0.000 -4.557) 6.609 30.380 ( -5.048 0.000 2.443) 5.608 47.687 ( 3.006 0.000 1.339) 3.291 47.815 ( 4.819 0.000 0.651) 4.862 47.889 ( -3.959 0.000 -2.217) 4.537 47.969 ( -3.854 0.000 0.380) 3.873 88.734 ( 1.243 0.000 -0.701) 1.427 88.762 ( -1.436 0.000 0.072) 1.438 89.653 ( 24.786 0.000 1.506) 24.832 89.948 ( -11.120 0.000 15.269) 18.889 90.281 ( -0.311 0.000 -0.251) 0.400 90.355 ( -3.556 0.000 0.154) 3.559 90.812 ( 1.144 0.000 2.422) 2.678 90.856 ( 5.110 0.000 -1.763) 5.405 ======================= Grid point 183 (93/116) ======================= q-point: ( 0.00 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 5.431 0.941 12.056) 13.256 1.373 ( -3.080 2.856 -6.169) 7.463 1.481 ( 4.768 6.524 11.621) 14.154 1.630 ( 0.196 2.760 0.836) 2.891 1.736 ( 3.063 5.646 -3.092) 7.129 1.853 ( -6.488 1.205 -10.885) 12.729 2.256 ( -9.627 -1.871 7.564) 12.385 2.303 ( 11.439 -2.005 4.674) 12.519 2.365 ( 10.369 2.042 16.850) 19.890 2.417 ( 2.641 2.946 3.865) 5.531 2.512 ( -4.195 1.963 -6.523) 8.000 2.672 ( 3.011 0.230 2.053) 3.652 2.694 ( -1.636 0.901 -3.237) 3.737 2.840 ( -4.156 4.343 -5.838) 8.379 3.060 ( -4.934 -0.503 -0.309) 4.970 3.096 ( 0.623 1.322 -2.141) 2.592 3.385 ( 2.791 -5.982 6.363) 9.169 3.518 ( -2.312 -3.093 -4.402) 5.855 3.572 ( -4.554 -2.344 1.718) 5.402 3.620 ( 3.282 -5.259 -3.076) 6.920 3.794 ( -0.595 0.112 3.567) 3.618 3.874 ( 2.602 0.418 -3.208) 4.151 3.974 ( -1.256 4.358 2.446) 5.153 4.049 ( 1.642 4.453 -4.479) 6.526 4.434 ( 4.727 -3.092 3.029) 6.409 4.491 ( 0.777 -3.299 -1.714) 3.798 4.569 ( -0.022 2.617 1.694) 3.117 4.698 ( -6.206 1.756 -7.646) 10.003 5.591 ( 2.745 2.925 6.998) 8.066 5.621 ( 0.860 2.936 2.638) 4.039 5.676 ( -5.126 4.897 0.856) 7.140 5.774 ( 0.518 2.970 -5.744) 6.487 6.242 ( -2.021 -2.086 0.988) 3.068 6.290 ( 2.901 -2.158 -3.257) 4.866 6.652 ( 3.385 -0.995 6.342) 7.257 6.784 ( -2.919 -0.072 -6.351) 6.990 7.644 ( 1.065 -2.449 3.861) 4.695 7.699 ( 0.313 -0.813 0.198) 0.893 7.719 ( -0.427 -1.340 -3.072) 3.379 7.765 ( -1.527 -0.521 -6.810) 6.998 7.933 ( -3.895 1.421 3.992) 5.755 8.030 ( 4.371 1.118 -5.049) 6.771 8.178 ( -2.882 -3.808 0.053) 4.776 8.201 ( 0.816 -3.828 -2.273) 4.526 8.476 ( -1.043 -0.577 1.624) 2.014 8.519 ( -0.094 0.071 -2.256) 2.259 8.752 ( 0.729 -4.485 2.279) 5.084 8.800 ( -0.818 -3.054 -2.691) 4.152 9.410 ( -0.543 2.449 3.643) 4.423 9.468 ( 0.207 0.359 -1.848) 1.894 9.712 ( -0.127 -1.318 2.110) 2.492 9.752 ( 1.157 -2.612 -1.704) 3.327 10.698 ( -1.663 -0.914 0.669) 2.011 10.727 ( 0.233 -0.520 -2.115) 2.190 11.137 ( -3.875 2.499 1.029) 4.724 11.183 ( 3.159 1.491 -3.338) 4.832 11.437 ( -2.523 -0.119 5.601) 6.144 11.533 ( 3.110 -0.187 -3.539) 4.715 11.610 ( 0.754 -1.395 1.212) 1.996 11.621 ( -1.424 -0.412 -0.051) 1.483 12.306 ( 1.616 1.408 4.721) 5.185 12.407 ( -2.575 0.327 -5.187) 5.800 12.981 ( 3.632 1.157 3.099) 4.912 13.046 ( -3.391 0.115 -3.179) 4.650 13.812 ( -7.296 -2.330 6.753) 10.211 13.934 ( 10.965 -5.148 -4.938) 13.081 14.380 ( -0.654 3.444 2.583) 4.354 14.404 ( 2.787 2.306 0.332) 3.633 21.365 ( 1.064 -0.357 0.097) 1.127 21.383 ( -2.674 -0.480 -1.631) 3.169 21.678 ( 0.792 -0.717 3.000) 3.185 21.744 ( -0.807 -1.327 -3.388) 3.727 23.295 ( -0.250 3.189 1.115) 3.387 23.322 ( 0.021 3.695 -1.531) 4.000 23.652 ( 4.464 -0.880 3.728) 5.882 23.737 ( -5.277 -1.476 -4.437) 7.051 23.854 ( 2.347 -0.612 2.018) 3.155 23.864 ( -0.968 -0.197 1.203) 1.557 24.039 ( 0.698 1.207 2.774) 3.105 24.121 ( -0.182 0.997 -5.011) 5.113 24.707 ( 0.393 0.157 0.638) 0.765 24.724 ( 0.392 0.152 -0.987) 1.073 25.172 ( 3.517 -2.386 7.364) 8.502 25.314 ( -7.222 -4.580 -6.209) 10.568 25.888 ( 2.276 -0.048 0.226) 2.287 25.903 ( -1.909 0.085 -1.034) 2.172 26.330 ( -6.033 5.186 3.250) 8.594 26.388 ( 9.802 4.483 -2.286) 11.018 27.590 ( 0.335 1.250 1.982) 2.367 27.627 ( -0.094 1.015 -1.410) 1.740 27.738 ( 0.562 -0.033 0.052) 0.565 27.739 ( -0.599 0.064 0.125) 0.615 29.719 ( 1.866 -2.252 4.496) 5.364 29.803 ( -3.178 -4.705 -3.474) 6.656 30.296 ( -4.720 -1.560 3.350) 5.995 30.368 ( 4.406 -2.062 -3.684) 6.102 47.776 ( 3.448 1.696 1.482) 4.119 47.806 ( -4.486 0.791 -1.290) 4.735 47.898 ( 3.539 -0.364 -0.299) 3.570 47.900 ( -2.421 -0.405 -0.356) 2.480 88.755 ( -0.366 1.844 1.236) 2.250 88.786 ( 0.978 3.207 -1.795) 3.803 89.684 ( -13.387 -14.056 7.002) 20.635 89.795 ( 17.329 -18.615 -3.481) 25.669 90.342 ( 2.231 2.852 0.537) 3.661 90.346 ( -2.259 3.127 0.108) 3.859 91.020 ( -0.484 14.809 2.045) 14.957 91.107 ( 4.674 18.033 -6.784) 19.826 ======================= Grid point 184 (94/116) ======================= q-point: ( 0.12 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -5.806 -1.426 -7.308) 9.442 1.407 ( 6.391 -0.876 6.106) 8.882 1.494 ( -6.093 5.536 -11.881) 14.454 1.617 ( -6.506 5.356 -5.927) 10.303 1.705 ( 4.899 9.061 10.230) 14.517 1.828 ( 1.530 -0.506 2.769) 3.204 2.112 ( -11.527 -0.705 -0.475) 11.559 2.203 ( -14.794 3.617 -1.679) 15.322 2.447 ( 3.716 -3.279 -3.635) 6.146 2.510 ( -0.532 1.797 -9.412) 9.596 2.575 ( 1.822 2.873 -2.558) 4.257 2.648 ( 3.155 -3.438 1.984) 5.071 2.710 ( 1.170 3.984 -0.934) 4.256 2.861 ( 6.556 5.040 6.286) 10.387 3.013 ( -1.382 -0.665 3.252) 3.595 3.177 ( 5.369 -0.729 1.054) 5.520 3.392 ( -2.944 -4.515 -4.036) 6.734 3.502 ( -3.244 -3.473 2.439) 5.342 3.542 ( 3.522 -4.483 4.521) 7.276 3.637 ( 0.549 -4.401 -0.409) 4.454 3.804 ( -0.604 3.438 0.496) 3.526 3.889 ( 3.135 -2.560 -4.702) 6.204 3.986 ( -1.766 6.141 2.946) 7.036 4.048 ( 3.409 1.872 -3.894) 5.503 4.359 ( -6.091 -2.041 -0.886) 6.485 4.450 ( -2.975 3.827 -3.732) 6.117 4.602 ( 3.971 0.837 1.832) 4.453 4.790 ( 9.221 -0.438 4.721) 10.368 5.541 ( -3.837 1.981 -3.468) 5.538 5.664 ( -2.380 1.276 8.413) 8.835 5.704 ( 2.097 1.762 -2.764) 3.891 5.791 ( 6.694 4.939 0.041) 8.319 6.186 ( -3.382 -0.269 0.206) 3.398 6.353 ( 5.724 -2.816 -1.200) 6.491 6.653 ( -4.392 0.480 -5.866) 7.344 6.758 ( 1.388 -0.242 4.949) 5.146 7.669 ( -0.900 -3.053 -3.545) 4.764 7.701 ( -0.053 -0.218 -0.434) 0.488 7.709 ( 1.403 -3.370 3.331) 4.942 7.747 ( 2.779 0.511 1.265) 3.096 7.901 ( -4.676 2.295 4.138) 6.652 8.042 ( 3.022 0.926 -4.986) 5.903 8.149 ( -1.545 -4.165 2.875) 5.291 8.225 ( 2.503 -3.267 0.424) 4.137 8.500 ( 1.496 -0.789 1.659) 2.369 8.522 ( 2.065 -0.027 0.134) 2.069 8.757 ( -1.469 -1.625 -2.317) 3.188 8.777 ( -0.397 -5.683 2.343) 6.160 9.406 ( -2.539 2.641 0.939) 3.782 9.473 ( 1.611 -0.245 -0.429) 1.685 9.702 ( -2.056 -2.148 0.222) 2.982 9.739 ( -0.795 -1.240 -1.869) 2.379 10.698 ( -0.010 -1.255 2.214) 2.546 10.737 ( 2.025 0.048 -0.031) 2.026 11.095 ( -2.906 1.970 2.286) 4.189 11.214 ( 2.982 0.586 -1.528) 3.401 11.426 ( -4.074 0.301 4.122) 5.803 11.527 ( 0.828 -0.216 -4.701) 4.778 11.613 ( 0.454 -1.445 0.059) 1.515 11.641 ( 1.476 -0.475 0.750) 1.722 12.343 ( 0.211 1.087 -4.122) 4.268 12.406 ( 4.367 0.664 5.521) 7.070 12.941 ( -5.455 1.297 -3.306) 6.510 13.053 ( 1.582 -0.132 2.994) 3.389 13.714 ( -9.961 -0.831 2.663) 10.344 14.009 ( 6.273 -5.498 -7.748) 11.385 14.367 ( -2.167 3.189 -0.388) 3.875 14.425 ( 1.072 2.144 -2.867) 3.737 21.359 ( 0.851 -0.139 0.173) 0.880 21.432 ( 5.120 -1.114 2.229) 5.694 21.686 ( -1.923 -1.006 -2.361) 3.207 21.719 ( 0.075 -0.717 2.447) 2.551 23.276 ( -1.547 2.081 0.361) 2.618 23.347 ( 2.547 4.849 -0.108) 5.479 23.621 ( -3.771 -1.497 -3.138) 5.129 23.771 ( 4.490 -1.059 4.338) 6.332 23.827 ( -2.942 0.205 -1.161) 3.170 23.886 ( 0.420 -0.473 -0.758) 0.987 24.054 ( -1.318 0.290 -1.837) 2.280 24.087 ( 0.351 1.379 1.076) 1.783 24.711 ( -0.186 -0.019 -0.528) 0.561 24.717 ( 0.077 0.208 -0.725) 0.759 25.149 ( -6.560 -1.995 -3.704) 7.793 25.301 ( 1.391 -4.017 8.818) 9.789 25.851 ( -2.805 0.652 -1.001) 3.049 25.916 ( 0.534 -2.013 0.580) 2.161 26.242 ( -5.021 7.110 -0.111) 8.704 26.518 ( 9.573 2.650 -5.182) 11.203 27.601 ( -0.777 0.890 -1.386) 1.822 27.613 ( 0.097 1.269 0.949) 1.587 27.728 ( -0.742 -0.065 0.044) 0.746 27.748 ( 0.511 0.209 0.100) 0.561 29.683 ( -7.171 -2.458 -1.940) 7.825 29.758 ( -2.644 -3.021 3.968) 5.644 30.260 ( -3.849 -0.615 3.187) 5.035 30.406 ( 4.050 -2.673 -2.947) 5.677 47.726 ( -3.790 0.964 -1.072) 4.055 47.807 ( -3.771 0.063 1.391) 4.020 47.873 ( 3.352 0.897 -0.031) 3.470 47.973 ( 4.451 -0.390 -0.430) 4.489 88.751 ( -0.821 2.141 0.120) 2.296 88.797 ( 1.950 2.966 -1.096) 3.714 89.500 ( -14.196 -11.160 2.280) 18.201 89.978 ( 11.739 -20.427 -7.639) 24.767 90.327 ( 0.137 4.166 0.205) 4.173 90.398 ( 4.096 2.337 0.045) 4.716 91.001 ( -3.525 14.168 0.978) 14.632 91.073 ( 0.005 16.666 -7.477) 18.266 ======================= Grid point 185 (95/116) ======================= q-point: ( 0.25 0.14 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -3.057 -2.829 -6.461) 7.687 1.211 ( -7.316 -0.403 -17.564) 19.031 1.376 ( -4.238 4.093 -5.609) 8.135 1.669 ( 5.280 6.269 1.400) 8.315 1.758 ( -7.057 -3.457 5.963) 9.864 1.870 ( 1.101 5.161 2.308) 5.760 1.982 ( -5.516 0.657 0.911) 5.629 2.025 ( -5.673 7.473 5.709) 10.983 2.322 ( 0.024 7.019 -18.473) 19.762 2.405 ( -1.522 -2.103 -6.983) 7.450 2.518 ( -5.333 4.651 -5.534) 8.983 2.711 ( 2.902 -1.485 2.130) 3.894 2.807 ( 3.157 -1.114 3.671) 4.968 2.970 ( 2.913 2.245 2.780) 4.611 3.035 ( 0.922 -2.098 1.379) 2.674 3.127 ( -7.595 1.050 -7.636) 10.821 3.341 ( 0.017 -6.148 -2.720) 6.723 3.465 ( -2.790 -2.936 1.997) 4.516 3.617 ( -0.168 -1.223 0.334) 1.279 3.657 ( 0.779 0.258 -0.082) 0.825 3.814 ( 0.270 -1.948 2.194) 2.947 3.860 ( -1.713 -0.536 -2.152) 2.802 3.962 ( -0.034 -0.362 0.355) 0.508 4.135 ( 8.441 5.256 1.351) 10.035 4.342 ( -3.198 10.565 0.724) 11.062 4.405 ( 6.202 -2.782 -0.444) 6.812 4.683 ( 1.738 0.329 1.914) 2.606 4.883 ( -2.530 1.033 1.464) 3.100 5.497 ( 4.084 -4.374 -3.278) 6.824 5.709 ( -0.060 -0.953 5.718) 5.797 5.743 ( 3.978 -0.128 1.499) 4.253 5.908 ( 5.539 3.367 1.543) 6.663 6.155 ( -0.979 2.139 0.990) 2.552 6.445 ( 6.725 -0.716 -0.295) 6.769 6.523 ( -3.705 1.684 -6.532) 7.696 6.801 ( -2.317 0.200 4.975) 5.492 7.637 ( 0.378 -2.362 -2.211) 3.257 7.694 ( -1.175 -2.754 -0.118) 2.997 7.755 ( 1.507 -1.826 2.200) 3.232 7.828 ( 2.425 0.855 4.830) 5.471 7.881 ( -2.164 0.920 4.420) 5.007 8.038 ( 2.080 0.780 -3.804) 4.405 8.191 ( 1.178 -2.881 5.907) 6.677 8.276 ( 2.032 -3.024 2.033) 4.172 8.543 ( 2.618 -1.379 0.355) 2.980 8.570 ( 1.748 -0.481 1.450) 2.322 8.714 ( -0.874 0.202 -2.068) 2.255 8.785 ( -1.725 -4.920 2.825) 5.929 9.374 ( -1.902 -0.502 0.582) 2.052 9.487 ( 0.943 0.584 -1.626) 1.968 9.663 ( -1.736 -2.791 -1.533) 3.627 9.691 ( -2.681 -0.586 -1.460) 3.108 10.740 ( 1.431 -1.200 3.642) 4.093 10.783 ( 2.645 0.395 1.362) 3.002 11.088 ( -1.226 1.065 2.850) 3.280 11.233 ( 0.347 -1.523 -0.683) 1.705 11.403 ( -2.881 0.787 3.429) 4.548 11.487 ( 0.128 0.683 -4.309) 4.364 11.610 ( -0.689 -1.347 -1.107) 1.875 11.664 ( 0.521 -0.083 -0.400) 0.663 12.331 ( 2.866 1.982 -3.156) 4.701 12.536 ( 3.585 -0.296 4.960) 6.127 12.825 ( -4.246 2.326 -1.664) 5.119 13.092 ( -0.208 -1.110 2.653) 2.883 13.572 ( -7.351 1.380 -0.373) 7.489 14.003 ( 3.298 -4.650 -8.879) 10.552 14.308 ( -3.257 2.486 -2.361) 4.729 14.381 ( -1.071 1.579 -6.008) 6.303 21.400 ( 2.887 0.308 1.081) 3.098 21.558 ( 4.803 -2.705 3.329) 6.439 21.635 ( -0.153 0.598 -1.261) 1.404 21.747 ( -0.189 -0.724 3.499) 3.578 23.265 ( -0.540 0.936 0.884) 1.396 23.377 ( 1.358 5.388 -1.046) 5.655 23.575 ( 0.502 -1.124 0.102) 1.235 23.752 ( -3.286 0.251 -1.633) 3.678 23.828 ( -1.631 -0.117 -1.954) 2.547 23.903 ( 3.100 -0.499 2.287) 3.884 24.018 ( -0.556 -0.208 -2.172) 2.252 24.093 ( -1.706 1.590 1.333) 2.686 24.697 ( -0.142 -0.032 -1.411) 1.419 24.709 ( -0.475 -0.174 -0.401) 0.645 25.031 ( -4.836 0.144 -1.665) 5.116 25.339 ( -6.244 -3.791 5.038) 8.873 25.808 ( -1.812 0.564 0.539) 1.973 25.930 ( 0.800 -3.338 0.848) 3.536 26.194 ( 0.108 6.512 -0.438) 6.528 26.593 ( 6.994 1.345 -7.130) 10.079 27.573 ( -0.850 0.686 -1.332) 1.722 27.614 ( -0.542 0.884 -0.141) 1.046 27.721 ( -0.303 0.112 0.659) 0.734 27.756 ( 0.472 0.321 0.004) 0.571 29.559 ( -6.433 -0.639 -0.020) 6.464 29.712 ( -6.016 -2.730 1.825) 6.853 30.230 ( -3.580 0.070 3.259) 4.842 30.429 ( 2.011 -3.043 -3.083) 4.776 47.666 ( -2.503 1.055 -0.627) 2.788 47.743 ( -4.051 0.030 -0.082) 4.052 47.943 ( 3.540 0.936 1.321) 3.892 48.031 ( 3.322 -0.311 -0.634) 3.396 88.737 ( -0.627 1.925 -0.263) 2.041 88.819 ( 1.601 2.785 -0.955) 3.352 89.310 ( -8.552 -6.991 -0.320) 11.050 90.024 ( 5.214 -18.928 -11.066) 22.537 90.364 ( 3.632 4.825 0.940) 6.112 90.470 ( 4.826 2.864 -0.364) 5.624 90.932 ( -4.784 12.349 -0.790) 13.267 90.972 ( -3.762 15.311 -6.463) 17.040 ======================= Grid point 186 (96/116) ======================= q-point: ( 0.38 0.14 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -0.294 -2.787 -2.788) 3.953 1.055 ( 5.541 2.799 -6.965) 9.330 1.283 ( 1.224 5.477 -8.096) 9.851 1.595 ( -10.988 -1.114 2.655) 11.359 1.771 ( 0.719 2.021 -0.765) 2.277 1.830 ( -4.524 -0.513 1.762) 4.882 1.978 ( 0.468 2.145 4.183) 4.724 2.098 ( 3.579 5.950 3.941) 7.984 2.182 ( 2.532 8.413 -12.124) 14.973 2.290 ( -3.078 -0.805 -7.906) 8.522 2.340 ( -6.987 6.152 -8.024) 12.290 2.708 ( -8.314 -3.572 -8.133) 12.167 2.799 ( -3.565 1.768 0.304) 3.991 2.930 ( -1.315 3.005 -2.966) 4.423 3.035 ( 0.012 0.085 4.842) 4.842 3.081 ( 3.410 -3.284 0.475) 4.758 3.339 ( 1.791 -4.611 -0.071) 4.947 3.452 ( -1.995 -2.692 1.708) 3.761 3.590 ( -1.207 1.020 -1.392) 2.106 3.637 ( -1.966 3.889 -1.371) 4.569 3.824 ( -1.786 1.962 5.668) 6.259 3.853 ( 2.036 -3.522 -0.434) 4.091 3.980 ( 1.557 -4.121 -1.598) 4.686 4.226 ( -3.034 6.418 -6.342) 9.519 4.291 ( 3.813 8.084 3.289) 9.524 4.601 ( 7.145 -0.379 3.493) 7.962 4.629 ( -2.234 3.880 -2.913) 5.341 4.837 ( -2.344 2.652 0.878) 3.647 5.582 ( 4.375 -10.102 3.608) 11.585 5.782 ( 1.771 -3.222 4.831) 6.071 5.832 ( 5.699 -4.262 -0.470) 7.132 5.969 ( 0.012 -1.768 1.000) 2.031 6.179 ( 1.254 6.330 2.815) 7.041 6.415 ( -1.306 4.886 -6.827) 8.496 6.574 ( 8.943 -0.371 0.579) 8.970 6.779 ( -5.870 0.957 4.309) 7.344 7.629 ( 1.033 -0.691 -2.005) 2.359 7.649 ( -3.912 -2.109 0.457) 4.468 7.821 ( 3.851 -1.362 2.366) 4.720 7.897 ( 0.039 0.704 4.252) 4.310 7.917 ( 1.306 -2.827 3.460) 4.655 8.035 ( 1.216 0.075 -2.769) 3.025 8.286 ( 2.270 -1.410 6.965) 7.460 8.329 ( 1.415 -3.043 3.136) 4.593 8.586 ( 2.083 -2.363 -1.248) 3.388 8.592 ( 0.311 -0.329 1.042) 1.136 8.694 ( 0.594 1.435 -1.574) 2.212 8.768 ( -3.868 -2.308 2.389) 5.099 9.362 ( -0.974 -1.927 1.617) 2.697 9.471 ( 0.671 -0.211 -3.802) 3.867 9.626 ( -0.291 -2.538 -2.263) 3.413 9.636 ( -2.942 -1.415 -0.250) 3.274 10.804 ( 1.434 -1.241 4.023) 4.448 10.842 ( 2.603 0.082 1.577) 3.045 11.105 ( -0.131 0.764 2.484) 2.602 11.215 ( -0.932 -2.740 -1.326) 3.183 11.405 ( -1.450 1.529 4.096) 4.606 11.457 ( 0.833 1.402 -2.843) 3.278 11.570 ( -2.317 -0.560 -1.774) 2.972 11.633 ( -1.766 -0.108 -3.447) 3.874 12.374 ( 4.854 2.932 -1.513) 5.869 12.536 ( -5.898 1.921 -0.018) 6.202 12.851 ( 5.225 0.415 4.158) 6.690 13.092 ( -2.273 -1.478 1.178) 2.956 13.519 ( 0.091 2.043 2.820) 3.483 13.949 ( 1.224 -3.764 -9.861) 10.626 14.223 ( -3.774 1.757 -2.746) 4.987 14.282 ( -2.266 0.906 -7.586) 7.969 21.459 ( 2.909 0.829 0.936) 3.166 21.554 ( -2.311 0.382 -0.775) 2.467 21.731 ( 5.140 -2.396 3.837) 6.847 21.787 ( 0.822 -0.786 3.683) 3.855 23.274 ( 0.082 0.572 1.589) 1.691 23.371 ( 0.154 3.015 -2.246) 3.763 23.626 ( 3.047 0.174 2.189) 3.756 23.708 ( -0.607 0.434 0.272) 0.794 23.774 ( -1.552 1.145 -1.972) 2.758 23.942 ( -1.464 -0.598 0.137) 1.587 23.988 ( 0.153 0.752 -2.283) 2.408 24.063 ( -1.979 1.725 -0.549) 2.683 24.681 ( -0.187 -0.060 -1.149) 1.165 24.696 ( -0.458 -0.443 -0.522) 0.823 24.965 ( -2.520 1.168 1.034) 2.964 25.220 ( -8.964 -1.591 -1.090) 9.169 25.806 ( -0.405 0.086 2.526) 2.560 25.944 ( 0.269 -2.005 -1.056) 2.282 26.245 ( 3.388 2.631 4.171) 5.983 26.603 ( 3.704 -0.272 -8.847) 9.595 27.553 ( -0.337 0.536 -0.516) 0.817 27.596 ( -0.641 0.519 -1.256) 1.503 27.731 ( 0.252 0.211 1.162) 1.208 27.763 ( 0.293 0.201 -0.088) 0.366 29.486 ( -3.353 0.173 1.829) 3.824 29.618 ( -5.858 -1.628 -0.300) 6.087 30.214 ( -2.636 0.436 4.134) 4.922 30.407 ( 0.093 -2.515 -4.717) 5.346 47.635 ( -0.823 0.999 -0.180) 1.307 47.683 ( -2.815 0.463 -0.521) 2.900 48.004 ( 2.153 0.684 1.545) 2.737 48.065 ( 1.716 -0.144 -0.917) 1.951 88.727 ( -0.405 1.365 0.086) 1.426 88.811 ( -0.612 1.695 -2.466) 3.054 89.274 ( 2.029 -4.112 4.644) 6.526 89.937 ( -0.417 -15.336 -14.646) 21.210 90.448 ( 4.706 5.294 1.491) 7.238 90.542 ( 3.908 3.688 -0.281) 5.381 90.838 ( -3.906 11.810 -4.740) 13.312 90.848 ( -4.776 12.771 -2.145) 13.803 ======================= Grid point 187 (97/116) ======================= q-point: (-0.50 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -5.615 4.852 5.989) 9.536 1.090 ( 5.211 -1.802 -5.928) 8.096 1.353 ( 10.195 7.766 0.076) 12.816 1.400 ( -10.047 7.413 -4.341) 13.219 1.772 ( -0.870 -4.602 0.839) 4.758 1.789 ( -0.256 -4.347 -0.913) 4.449 2.022 ( -0.593 -1.243 5.212) 5.391 2.083 ( -6.392 6.329 0.551) 9.012 2.149 ( 1.342 4.512 -4.442) 6.473 2.206 ( 0.224 -1.251 -12.488) 12.552 2.275 ( 3.409 7.718 4.844) 9.729 2.406 ( -5.565 5.573 -8.410) 11.522 2.820 ( 0.511 0.378 3.114) 3.178 2.891 ( -1.490 2.325 -3.287) 4.293 3.066 ( -2.682 -3.517 5.663) 7.185 3.147 ( 4.595 -4.072 -2.016) 6.462 3.387 ( 2.176 -2.865 1.955) 4.094 3.415 ( -2.606 -2.010 -0.565) 3.339 3.561 ( -3.926 4.288 1.587) 6.027 3.597 ( 1.862 4.614 -1.834) 5.303 3.886 ( 1.481 -1.628 4.251) 4.787 3.906 ( 1.848 2.008 2.685) 3.828 3.980 ( 2.619 -5.196 -1.870) 6.112 4.071 ( -5.490 2.697 -7.444) 9.635 4.389 ( 0.585 8.556 4.418) 9.647 4.483 ( -0.746 9.151 -4.603) 10.271 4.775 ( -3.896 1.365 1.643) 4.444 4.819 ( 7.547 0.703 -2.296) 7.920 5.661 ( -4.585 -11.414 9.537) 15.565 5.819 ( 3.113 -9.452 -3.514) 10.554 5.910 ( -0.125 -4.773 1.095) 4.899 5.953 ( 2.155 -3.819 -1.666) 4.691 6.226 ( -0.565 8.322 4.922) 9.685 6.340 ( -0.989 6.970 -5.708) 9.063 6.699 ( -7.532 1.208 2.216) 7.944 6.736 ( 10.207 -0.381 -0.903) 10.254 7.599 ( -3.036 -0.397 1.544) 3.429 7.634 ( 1.917 -0.109 -1.698) 2.564 7.903 ( -0.295 -1.919 1.958) 2.757 7.914 ( 1.927 -2.626 0.841) 3.365 7.968 ( 1.430 -1.442 2.004) 2.853 8.022 ( 1.108 -0.556 -3.261) 3.488 8.364 ( -1.120 -1.313 4.692) 4.999 8.391 ( 2.883 -4.823 2.393) 6.107 8.583 ( -0.063 0.760 -0.304) 0.821 8.600 ( -0.094 0.475 -1.595) 1.667 8.706 ( -2.227 -0.440 1.313) 2.623 8.721 ( 1.293 0.334 -0.216) 1.353 9.364 ( -2.025 -1.099 3.072) 3.840 9.446 ( 1.663 -2.360 -4.572) 5.408 9.594 ( -2.190 -1.889 0.563) 2.947 9.618 ( 1.692 -2.549 -1.512) 3.412 10.845 ( -1.269 -1.195 3.236) 3.676 10.892 ( 2.764 -0.919 -0.591) 2.972 11.130 ( 0.629 0.583 2.126) 2.292 11.189 ( 0.222 -1.824 -2.678) 3.248 11.432 ( -1.010 1.483 4.855) 5.176 11.468 ( 2.176 1.711 -0.355) 2.790 11.505 ( -3.599 0.245 -0.657) 3.667 11.569 ( -0.246 0.214 -4.750) 4.761 12.425 ( -5.466 3.231 0.894) 6.413 12.449 ( 4.302 3.559 -1.179) 5.706 12.989 ( 5.596 -0.775 3.730) 6.770 13.041 ( -3.906 -1.093 -1.252) 4.245 13.613 ( 3.153 0.610 8.559) 9.142 13.834 ( -2.632 -2.390 -12.323) 12.826 14.149 ( -2.798 1.105 -0.329) 3.026 14.194 ( -0.173 0.494 -4.692) 4.721 21.506 ( 1.484 1.172 0.480) 1.951 21.513 ( -1.447 1.344 -0.365) 2.008 21.817 ( 1.273 -2.358 2.282) 3.520 21.830 ( 1.201 -1.863 0.944) 2.409 23.295 ( -0.010 0.849 2.225) 2.381 23.345 ( -0.198 0.985 -2.570) 2.760 23.676 ( 1.140 0.545 1.472) 1.940 23.712 ( -0.558 0.022 -1.470) 1.572 23.792 ( 3.686 1.269 3.726) 5.393 23.866 ( -4.358 0.023 -3.006) 5.294 23.988 ( -0.057 2.565 0.220) 2.575 24.023 ( -0.239 2.245 -2.485) 3.358 24.672 ( -0.095 -0.099 -0.055) 0.148 24.684 ( -0.312 -0.323 -0.730) 0.857 24.986 ( 1.819 0.742 5.072) 5.439 25.076 ( -5.445 0.197 -2.975) 6.208 25.841 ( 0.857 -0.052 3.530) 3.633 25.918 ( -0.323 -0.819 -3.473) 3.583 26.349 ( 1.298 0.307 7.590) 7.706 26.539 ( 0.208 -1.586 -10.460) 10.582 27.553 ( 0.472 0.481 0.320) 0.746 27.575 ( -0.170 0.320 -1.669) 1.708 27.746 ( 0.122 0.047 1.092) 1.100 27.762 ( -0.057 0.114 -0.410) 0.429 29.492 ( 1.025 -0.146 3.393) 3.548 29.536 ( -2.942 -0.502 -1.138) 3.195 30.232 ( -0.927 0.025 5.599) 5.676 30.355 ( 0.419 -1.542 -5.885) 6.098 47.637 ( 0.997 0.833 0.226) 1.319 47.645 ( -1.103 0.968 -0.572) 1.575 48.040 ( 0.397 0.453 1.445) 1.566 48.067 ( -0.169 0.053 -1.240) 1.252 88.729 ( 0.006 0.776 1.113) 1.357 88.772 ( -0.353 1.069 -2.852) 3.066 89.429 ( 5.536 -5.181 11.501) 13.776 89.727 ( -5.912 -10.383 -17.174) 20.921 90.524 ( 1.214 5.948 2.588) 6.599 90.553 ( -3.094 4.707 -0.503) 5.655 90.767 ( 0.369 11.964 -2.002) 12.136 90.789 ( 1.992 10.498 -3.392) 11.211 ======================= Grid point 188 (98/116) ======================= q-point: (-0.38 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -10.284 3.623 4.396) 11.757 1.058 ( -18.663 6.504 -1.462) 19.818 1.198 ( 8.615 3.152 -2.180) 9.429 1.595 ( 10.336 2.509 2.324) 10.887 1.760 ( -5.277 3.791 0.403) 6.510 1.823 ( 5.195 -2.188 5.063) 7.577 1.961 ( -5.535 7.381 1.041) 9.284 2.028 ( -3.955 -0.827 0.216) 4.046 2.132 ( 0.957 -4.119 2.893) 5.123 2.201 ( 4.031 0.050 0.117) 4.034 2.283 ( 4.689 8.852 -1.972) 10.210 2.567 ( 15.414 5.931 3.684) 16.921 2.812 ( -3.187 0.964 -0.357) 3.348 2.866 ( 0.066 1.468 2.199) 2.645 3.063 ( -2.249 -4.539 2.611) 5.699 3.154 ( -0.008 -2.182 -5.328) 5.758 3.343 ( -3.335 -4.603 0.001) 5.684 3.466 ( 3.224 -1.757 0.619) 3.723 3.542 ( -0.241 4.835 2.660) 5.523 3.635 ( 2.582 4.319 -0.038) 5.032 3.865 ( -3.978 -3.460 -1.627) 5.518 3.943 ( -0.096 -2.026 1.101) 2.308 3.954 ( 1.819 3.476 -5.248) 6.552 4.094 ( 4.922 2.477 5.367) 7.692 4.343 ( -2.716 4.858 -1.190) 5.691 4.569 ( 4.561 5.570 2.018) 7.477 4.656 ( -5.451 3.945 -2.191) 7.076 4.886 ( 3.240 1.421 -4.265) 5.542 5.587 ( -11.105 -11.734 3.994) 16.642 5.795 ( -8.101 -7.264 2.634) 11.195 5.894 ( 4.890 -6.431 -5.861) 9.981 5.997 ( 1.669 -1.170 -1.426) 2.488 6.242 ( -2.374 5.725 0.349) 6.207 6.279 ( -1.937 8.493 2.345) 9.021 6.590 ( -6.010 0.189 -0.903) 6.081 6.864 ( 7.622 -0.679 -3.431) 8.386 7.584 ( -1.298 0.063 2.277) 2.621 7.661 ( 2.649 -1.493 -0.538) 3.088 7.854 ( -3.895 -0.687 -0.619) 4.003 7.954 ( 1.130 -2.634 -1.318) 3.154 7.990 ( 1.255 -2.217 -2.067) 3.281 8.025 ( 2.512 0.627 -2.674) 3.722 8.348 ( -3.420 -3.319 0.594) 4.803 8.418 ( 0.173 -3.739 -3.210) 4.931 8.558 ( -1.643 1.021 0.299) 1.957 8.603 ( 0.193 -0.851 -0.238) 0.905 8.666 ( -1.982 1.321 1.362) 2.744 8.798 ( 5.456 -0.726 -0.036) 5.504 9.352 ( -2.746 -0.622 3.293) 4.332 9.442 ( 1.869 -2.310 -2.377) 3.805 9.582 ( -0.592 -1.942 1.681) 2.635 9.647 ( 3.145 -2.763 -1.003) 4.305 10.828 ( -3.047 -0.578 1.131) 3.301 10.905 ( 0.891 -1.822 -3.632) 4.159 11.170 ( 1.486 -0.730 -1.815) 2.457 11.174 ( 1.786 -0.189 0.590) 1.891 11.412 ( -3.704 1.607 0.246) 4.045 11.472 ( -0.124 -0.039 1.070) 1.078 11.539 ( 2.942 1.457 3.560) 4.843 11.556 ( 2.381 0.551 -0.678) 2.536 12.344 ( -5.418 3.754 1.626) 6.789 12.535 ( 6.158 2.676 -0.099) 6.714 12.939 ( -5.372 -0.229 -3.917) 6.653 13.090 ( 3.732 -1.082 1.455) 4.149 13.636 ( -5.535 -0.387 -8.541) 10.185 13.748 ( 0.631 -0.358 8.436) 8.467 14.151 ( 0.719 1.019 4.575) 4.742 14.194 ( 2.674 0.564 -0.180) 2.739 21.475 ( -2.250 1.273 -0.486) 2.631 21.542 ( 1.900 1.261 0.377) 2.312 21.797 ( -3.208 -3.359 -2.169) 5.126 21.844 ( 0.237 -1.225 -1.693) 2.103 23.300 ( -1.201 0.654 0.217) 1.384 23.335 ( 0.966 1.402 0.048) 1.703 23.674 ( -1.673 0.733 -2.423) 3.034 23.703 ( 0.303 -0.538 1.329) 1.466 23.767 ( -2.791 0.878 -1.769) 3.419 23.915 ( 4.970 0.216 2.909) 5.763 23.957 ( -1.846 2.061 0.626) 2.837 24.050 ( 3.208 3.831 -0.059) 4.997 24.674 ( -0.068 -0.149 -0.202) 0.260 24.679 ( 0.354 -0.220 0.873) 0.967 24.996 ( -1.330 1.179 -1.589) 2.384 25.127 ( 7.697 -0.369 7.435) 10.708 25.877 ( 0.356 -0.467 -3.529) 3.577 25.895 ( 1.216 0.052 2.670) 2.935 26.369 ( -5.580 -2.189 -2.667) 6.561 26.456 ( -0.423 1.133 0.178) 1.222 27.558 ( 0.085 0.199 -0.979) 1.002 27.575 ( 1.328 0.533 0.510) 1.520 27.748 ( -0.608 -0.055 0.008) 0.611 27.757 ( -0.208 0.270 -0.042) 0.344 29.509 ( 0.644 0.044 -0.512) 0.824 29.583 ( 5.745 -1.777 3.564) 6.990 30.289 ( 0.392 -1.472 6.429) 6.607 30.318 ( 2.149 -0.977 -5.619) 6.095 47.637 ( 0.731 1.519 -0.391) 1.731 47.672 ( 2.814 0.614 0.521) 2.927 48.036 ( -2.031 0.259 -1.508) 2.543 48.044 ( -1.390 0.239 1.130) 1.807 88.742 ( 0.314 0.988 -0.232) 1.062 88.765 ( 1.510 1.343 0.673) 2.130 89.441 ( -8.654 -5.419 -12.280) 15.970 89.633 ( 2.600 -8.561 13.550) 16.237 90.461 ( -6.261 5.258 -0.131) 8.177 90.518 ( -4.411 4.985 2.196) 7.009 90.802 ( 5.386 10.708 -0.928) 12.022 90.850 ( 7.313 13.257 -2.270) 15.310 ======================= Grid point 189 (99/116) ======================= q-point: (-0.25 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 0.209 0.925 15.235) 15.265 0.893 ( -4.774 3.170 8.840) 10.535 1.309 ( 7.296 6.223 0.303) 9.595 1.663 ( -5.107 10.130 3.345) 11.827 1.761 ( 4.238 -2.540 3.341) 5.965 1.923 ( -4.346 5.679 10.753) 12.914 1.940 ( 1.285 -0.961 -2.301) 2.805 2.043 ( 7.892 2.262 -0.197) 8.212 2.192 ( 3.802 0.955 -0.822) 4.005 2.237 ( 1.210 0.510 2.216) 2.576 2.411 ( 6.774 6.243 3.660) 9.913 2.699 ( -2.678 1.263 1.975) 3.559 2.852 ( 0.931 -0.531 -0.117) 1.079 2.955 ( 10.723 3.408 7.644) 13.602 3.050 ( -1.262 -2.385 -0.593) 2.763 3.064 ( -3.115 -0.487 -4.815) 5.755 3.303 ( -1.863 -5.983 0.547) 6.290 3.502 ( 1.977 -4.670 -0.556) 5.101 3.585 ( 1.171 5.814 3.188) 6.733 3.655 ( 0.720 1.707 -1.576) 2.432 3.815 ( -1.983 -5.200 0.503) 5.588 3.907 ( 0.070 -1.674 -3.264) 3.669 3.983 ( 2.335 1.746 -1.795) 3.424 4.159 ( -2.235 9.025 0.642) 9.320 4.345 ( 3.685 0.359 -1.138) 3.873 4.434 ( -9.006 0.387 -1.855) 9.204 4.729 ( 2.530 1.534 -2.547) 3.904 4.888 ( 3.671 3.138 -0.176) 4.832 5.434 ( -9.946 -8.092 3.040) 13.177 5.677 ( -8.477 -3.790 3.401) 9.889 5.878 ( -0.351 0.146 -5.439) 5.453 5.949 ( -4.526 3.106 -3.220) 6.364 6.199 ( 0.789 0.440 -3.065) 3.196 6.323 ( -1.213 6.279 8.453) 10.599 6.505 ( -1.801 -1.877 -2.113) 3.351 6.909 ( 3.269 -0.998 -5.263) 6.276 7.593 ( -0.493 -0.890 2.165) 2.392 7.692 ( 0.859 -3.513 0.129) 3.618 7.795 ( -1.656 0.697 -1.282) 2.207 7.944 ( -0.126 -1.703 -1.503) 2.275 7.964 ( 0.779 -0.284 -6.794) 6.845 8.025 ( 1.220 0.993 -3.534) 3.868 8.287 ( -3.216 -4.185 -1.604) 5.516 8.348 ( -2.202 -2.158 -5.852) 6.615 8.540 ( -1.978 -1.323 0.593) 2.453 8.583 ( -1.558 -0.568 -0.270) 1.680 8.674 ( 0.466 0.376 2.033) 2.120 8.852 ( 2.620 -2.427 -3.142) 4.756 9.356 ( -0.733 -1.482 3.092) 3.506 9.458 ( 1.363 0.220 0.098) 1.384 9.610 ( 1.317 -1.843 2.825) 3.620 9.693 ( 3.417 -2.790 -0.866) 4.495 10.781 ( -3.061 -0.125 -0.181) 3.069 10.851 ( -1.607 -1.621 -5.291) 5.762 11.160 ( 1.888 0.100 -3.964) 4.391 11.224 ( 1.564 -0.935 0.686) 1.947 11.377 ( -2.568 1.386 3.553) 4.598 11.481 ( 1.736 0.311 -1.191) 2.128 11.584 ( 1.470 -0.383 0.773) 1.704 11.634 ( 2.099 0.544 2.708) 3.469 12.277 ( -4.536 3.264 2.030) 5.945 12.612 ( 1.831 -0.073 -2.057) 2.755 12.829 ( -1.542 2.152 -2.384) 3.563 13.135 ( 1.386 -1.312 -1.250) 2.281 13.557 ( 3.559 1.214 0.213) 3.766 13.817 ( -2.489 -1.454 8.921) 9.375 14.241 ( 2.278 1.960 7.100) 7.710 14.258 ( 3.561 0.988 2.190) 4.296 21.426 ( -2.543 0.914 -1.330) 3.012 21.578 ( 1.557 0.098 0.725) 1.720 21.674 ( -7.198 -2.494 -4.289) 8.742 21.816 ( -0.192 -0.797 -3.112) 3.218 23.282 ( -0.503 0.597 -0.449) 0.901 23.355 ( 0.584 3.741 0.718) 3.854 23.603 ( -2.980 0.427 -2.558) 3.950 23.720 ( 1.494 -0.214 1.386) 2.050 23.771 ( 1.304 0.800 2.703) 3.105 23.936 ( -1.924 -2.731 0.610) 3.396 23.988 ( 1.720 2.217 -0.215) 2.814 24.111 ( 4.179 3.528 -0.284) 5.476 24.677 ( 0.288 0.065 0.485) 0.568 24.699 ( 0.864 -0.383 0.832) 1.260 24.998 ( 1.537 1.251 1.264) 2.351 25.353 ( 10.953 -3.247 4.295) 12.205 25.855 ( 1.353 0.179 -3.743) 3.984 25.930 ( 0.077 -0.800 1.207) 1.450 26.224 ( -4.506 0.875 -3.983) 6.077 26.456 ( -4.492 2.998 5.533) 7.732 27.556 ( 0.190 0.470 0.142) 0.527 27.606 ( 1.539 0.539 0.548) 1.720 27.737 ( -0.243 0.024 -0.583) 0.632 27.751 ( -0.671 0.406 0.344) 0.856 29.545 ( 3.317 -0.154 1.091) 3.495 29.724 ( 7.840 -4.090 1.127) 8.914 30.315 ( 3.638 -1.077 -4.802) 6.120 30.348 ( -0.859 -3.344 5.042) 6.111 47.660 ( 2.364 1.941 -0.120) 3.061 47.736 ( 4.260 0.343 0.558) 4.310 47.975 ( -3.485 0.437 -1.670) 3.889 48.018 ( -2.947 -0.017 0.708) 3.030 88.745 ( 0.890 1.953 -1.085) 2.404 88.801 ( 0.375 2.134 1.028) 2.398 89.303 ( 2.738 -5.173 -0.693) 5.894 89.764 ( -3.122 -12.385 13.399) 18.511 90.370 ( -4.598 4.795 0.191) 6.647 90.455 ( -4.943 3.632 1.257) 6.262 90.895 ( 5.512 12.510 0.672) 13.687 90.956 ( 8.299 15.941 -2.523) 18.148 ======================= Grid point 190 (100/116) ======================= q-point: (-0.12 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 3.034 0.406 11.002) 11.419 1.143 ( 9.436 4.104 20.955) 23.345 1.456 ( 8.299 1.260 1.203) 8.480 1.609 ( -3.780 7.257 -3.438) 8.875 1.781 ( -2.243 7.539 0.823) 7.908 1.950 ( 5.432 -3.910 -2.403) 7.111 2.054 ( -0.245 5.604 18.032) 18.884 2.127 ( 5.925 0.724 -3.322) 6.831 2.257 ( 4.562 2.240 1.563) 5.317 2.307 ( 1.837 1.627 5.991) 6.474 2.526 ( 2.208 4.922 4.914) 7.297 2.676 ( -1.769 -0.745 0.035) 1.920 2.804 ( -3.498 -0.876 -4.993) 6.159 2.938 ( -5.137 1.890 -2.642) 6.078 3.050 ( 1.190 -1.051 -0.814) 1.784 3.156 ( 3.012 1.489 3.485) 4.841 3.306 ( 0.036 -6.769 2.525) 7.225 3.539 ( 3.242 -6.398 -0.513) 7.190 3.606 ( -3.066 6.825 2.061) 7.761 3.637 ( -0.089 -2.182 -2.695) 3.468 3.792 ( -1.735 -5.977 1.074) 6.316 3.872 ( 0.106 -1.434 -2.784) 3.134 3.989 ( -1.548 2.249 0.834) 2.855 4.081 ( -0.443 6.870 -5.836) 9.025 4.331 ( 0.296 -0.812 2.204) 2.367 4.434 ( 5.223 3.985 -2.045) 6.880 4.649 ( -4.765 -0.303 -3.368) 5.843 4.895 ( -5.760 -3.754 -3.933) 7.921 5.427 ( 4.124 1.405 7.085) 8.318 5.613 ( -4.549 0.464 5.187) 6.915 5.792 ( -6.761 5.502 -0.880) 8.761 5.837 ( -1.524 2.570 -6.476) 7.132 6.211 ( 3.370 -2.516 -1.946) 4.633 6.335 ( -3.680 2.144 1.407) 4.486 6.533 ( 3.693 -1.728 4.237) 5.880 6.875 ( -0.539 -0.864 -5.959) 6.046 7.608 ( -0.151 -2.130 2.350) 3.175 7.695 ( 0.033 -1.774 -0.032) 1.775 7.761 ( -0.989 -1.057 -2.484) 2.875 7.871 ( -1.695 -0.483 -8.253) 8.439 7.945 ( -1.055 0.790 1.614) 2.084 8.014 ( 3.044 1.543 -4.822) 5.908 8.220 ( -1.937 -4.486 -2.667) 5.567 8.259 ( -2.830 -2.716 -3.677) 5.377 8.502 ( -2.634 -1.047 0.043) 2.835 8.553 ( -1.498 0.289 -1.155) 1.913 8.711 ( 1.311 -2.352 2.270) 3.522 8.836 ( 0.174 -3.360 -3.557) 4.896 9.379 ( -0.027 -0.720 2.984) 3.070 9.476 ( 0.516 1.655 -0.263) 1.754 9.669 ( 1.967 -1.853 2.910) 3.972 9.734 ( 2.575 -2.608 -0.950) 3.786 10.732 ( -2.470 -0.281 -0.363) 2.513 10.772 ( -1.787 -1.127 -4.177) 4.681 11.157 ( 2.058 0.715 -3.256) 3.917 11.212 ( -2.197 1.609 -1.511) 3.114 11.401 ( -0.649 -0.289 5.763) 5.807 11.507 ( 3.029 0.448 -1.778) 3.540 11.602 ( -0.322 -1.295 0.843) 1.578 11.645 ( -1.396 0.550 0.257) 1.522 12.260 ( -1.105 2.031 3.886) 4.522 12.525 ( -4.635 -0.825 -5.958) 7.593 12.880 ( 4.918 2.591 2.485) 6.089 13.112 ( -1.291 -0.813 -2.766) 3.159 13.728 ( 12.513 -2.539 1.932) 12.914 13.847 ( -3.476 -1.871 7.443) 8.426 14.334 ( 1.510 3.004 5.202) 6.193 14.340 ( 3.016 1.738 2.767) 4.446 21.376 ( -1.517 0.349 -1.356) 2.064 21.493 ( -7.120 -1.835 -3.658) 8.212 21.633 ( 1.388 0.278 2.259) 2.666 21.783 ( -0.125 -1.176 -3.248) 3.457 23.280 ( 0.503 1.488 0.101) 1.574 23.353 ( -1.134 5.414 -0.721) 5.578 23.576 ( 1.191 -0.971 1.113) 1.897 23.780 ( 2.846 -0.597 2.667) 3.946 23.827 ( 1.196 -0.032 2.547) 2.814 23.870 ( -4.150 -1.424 -2.531) 5.065 24.010 ( 0.667 0.917 1.167) 1.627 24.149 ( 2.235 1.995 -3.354) 4.497 24.691 ( 0.540 0.172 0.822) 0.998 24.718 ( 0.911 -0.130 -0.096) 0.925 25.062 ( 2.816 -0.234 4.392) 5.223 25.455 ( -0.062 -6.609 -5.323) 8.486 25.851 ( 2.126 0.922 -1.449) 2.733 25.927 ( -0.320 -1.109 -0.356) 1.208 26.226 ( 6.085 4.915 1.358) 7.939 26.415 ( -6.566 4.563 4.740) 9.296 27.567 ( 0.256 0.942 1.499) 1.789 27.629 ( 0.924 0.765 -0.282) 1.232 27.732 ( 0.298 -0.057 -0.417) 0.516 27.745 ( -0.562 0.330 0.417) 0.774 29.628 ( 4.060 -1.015 3.068) 5.189 29.824 ( 4.248 -5.477 -2.249) 7.287 30.336 ( 4.194 -1.531 -4.141) 6.089 30.344 ( -4.391 -3.220 3.230) 6.331 47.709 ( 3.381 2.004 0.463) 3.958 47.816 ( 4.816 0.016 0.401) 4.832 47.895 ( -4.130 0.567 -1.860) 4.565 47.965 ( -3.978 -0.322 0.299) 4.003 88.748 ( 0.222 1.972 0.045) 1.985 88.794 ( -0.424 2.987 -0.648) 3.085 89.504 ( 17.324 -12.296 2.212) 21.359 89.784 ( -9.114 -14.486 10.819) 20.248 90.326 ( -1.080 3.944 0.421) 4.111 90.392 ( -3.801 3.015 0.650) 4.895 90.979 ( 3.038 14.184 1.821) 14.620 91.057 ( 7.819 17.979 -4.435) 20.101 ======================= Grid point 191 (101/116) ======================= q-point: ( 0.00 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 5.676 8.670 8.262) 13.253 1.429 ( -4.972 3.692 -8.164) 10.247 1.588 ( 9.528 4.399 13.007) 16.713 1.704 ( 0.323 4.249 1.323) 4.462 1.828 ( -3.181 2.859 -1.635) 4.579 1.883 ( -2.039 1.466 -4.248) 4.935 2.232 ( -6.323 0.194 4.689) 7.874 2.271 ( 8.502 -1.082 3.016) 9.086 2.373 ( 3.750 -1.551 2.663) 4.854 2.474 ( -3.676 1.439 -0.383) 3.966 2.520 ( -0.030 -0.848 1.007) 1.317 2.640 ( 1.592 -1.495 -3.816) 4.397 2.781 ( 0.490 5.573 7.590) 9.429 2.909 ( -1.943 2.832 0.132) 3.437 3.062 ( -2.172 1.095 -0.771) 2.552 3.131 ( -1.248 2.224 -4.102) 4.830 3.302 ( 2.970 -2.201 5.442) 6.578 3.434 ( -1.969 -4.513 -3.580) 6.088 3.494 ( -0.493 -6.868 -1.625) 7.075 3.505 ( -2.053 -5.541 -2.018) 6.244 3.835 ( 3.052 4.025 2.706) 5.730 3.899 ( 0.979 2.718 -2.918) 4.105 4.041 ( 1.904 1.865 2.832) 3.889 4.123 ( -1.830 1.709 -4.310) 4.984 4.374 ( 3.660 -2.369 1.732) 4.691 4.424 ( -5.069 -2.886 -2.166) 6.222 4.633 ( 0.885 4.147 4.211) 5.977 4.737 ( -0.137 1.890 -4.422) 4.810 5.667 ( -0.902 4.510 6.643) 8.079 5.696 ( 3.734 4.658 2.353) 6.417 5.765 ( -4.152 4.233 -2.420) 6.404 5.835 ( 3.023 3.012 -7.289) 8.446 6.193 ( 2.166 -2.658 1.624) 3.794 6.242 ( -3.252 -2.974 -2.680) 5.158 6.652 ( 1.991 1.642 7.594) 8.021 6.787 ( -1.847 0.286 -5.528) 5.836 7.582 ( 0.899 -3.760 2.837) 4.795 7.647 ( -0.635 -3.751 -2.459) 4.530 7.702 ( -0.178 -1.077 -0.888) 1.407 7.748 ( -1.397 -1.924 -4.781) 5.339 7.965 ( -2.763 1.403 3.826) 4.923 8.056 ( 3.597 1.450 -4.395) 5.862 8.094 ( -2.751 -4.432 0.076) 5.217 8.127 ( 0.710 -3.034 -3.241) 4.496 8.467 ( -0.848 -0.109 1.753) 1.951 8.522 ( 0.241 0.368 -3.212) 3.242 8.654 ( -1.378 -5.286 2.630) 6.063 8.722 ( 0.776 -4.929 -4.134) 6.479 9.457 ( 1.567 2.328 3.201) 4.257 9.496 ( -1.509 2.538 -0.290) 2.967 9.677 ( -1.197 -2.611 1.408) 3.199 9.693 ( 2.395 -3.116 -0.099) 3.931 10.685 ( -1.727 -0.406 0.082) 1.776 10.712 ( 0.741 -0.981 -2.472) 2.760 11.187 ( -1.924 2.489 -0.065) 3.147 11.213 ( 1.725 1.420 -2.470) 3.331 11.443 ( -1.478 0.889 5.153) 5.434 11.533 ( 1.852 0.269 -3.378) 3.862 11.572 ( 0.424 -2.577 2.107) 3.356 11.605 ( -1.587 -1.380 -1.265) 2.454 12.342 ( 1.218 2.210 3.486) 4.304 12.412 ( -1.940 0.110 -3.434) 3.946 13.005 ( 2.389 1.249 1.753) 3.215 13.046 ( -2.354 -0.191 -2.169) 3.206 13.769 ( -4.046 -1.865 4.396) 6.259 13.838 ( 6.595 -4.554 -2.185) 8.307 14.437 ( -0.017 2.338 2.317) 3.292 14.448 ( 1.991 2.003 1.192) 3.065 21.359 ( -0.131 -0.254 -0.242) 0.374 21.373 ( -1.365 -0.589 -1.546) 2.145 21.664 ( 0.280 -0.635 1.948) 2.068 21.712 ( -0.660 -1.958 -2.685) 3.388 23.374 ( 1.816 5.006 1.582) 5.555 23.410 ( -2.316 5.436 -1.952) 6.222 23.623 ( 4.823 -2.321 3.314) 6.296 23.691 ( -5.089 -3.396 -3.032) 6.829 23.848 ( 1.292 0.077 2.047) 2.422 23.862 ( -0.559 0.016 1.022) 1.166 24.069 ( 1.192 1.886 1.346) 2.606 24.135 ( -0.536 0.306 -4.775) 4.815 24.711 ( 0.393 0.325 0.542) 0.744 24.726 ( 0.554 0.060 -0.831) 1.001 25.125 ( 1.729 -2.186 4.971) 5.699 25.217 ( -5.123 -5.172 -3.729) 8.180 25.899 ( 0.696 1.058 0.038) 1.267 25.911 ( -0.692 0.691 -0.970) 1.377 26.428 ( -1.301 4.812 2.871) 5.753 26.474 ( 4.768 3.895 -1.459) 6.328 27.621 ( 0.624 1.821 1.723) 2.583 27.649 ( -0.092 1.223 -0.909) 1.527 27.736 ( 0.650 -0.160 0.051) 0.672 27.739 ( -0.761 -0.042 -0.087) 0.767 29.669 ( 1.083 -2.682 2.892) 4.090 29.706 ( -2.486 -4.909 -0.338) 5.512 30.266 ( -2.647 -1.368 2.333) 3.784 30.320 ( 3.172 -2.823 -2.897) 5.141 47.812 ( 3.523 1.943 0.399) 4.043 47.826 ( -4.526 1.217 -0.742) 4.745 47.886 ( -1.970 -0.852 -0.067) 2.148 47.890 ( 2.961 -0.632 -0.554) 3.078 88.820 ( -1.296 5.232 2.240) 5.837 88.869 ( 1.905 5.794 -2.466) 6.579 89.404 ( -9.052 -14.851 4.135) 17.877 89.463 ( 11.170 -16.048 -1.461) 19.607 90.397 ( 0.385 2.876 0.974) 3.061 90.404 ( -1.251 2.868 0.267) 3.140 91.303 ( -0.650 14.026 2.331) 14.234 91.413 ( 4.659 12.747 -8.719) 16.131 ======================= Grid point 192 (102/116) ======================= q-point: ( 0.12 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -7.388 6.418 -6.901) 11.974 1.434 ( 2.591 3.587 4.588) 6.374 1.556 ( -9.223 2.299 -11.106) 14.619 1.733 ( 0.866 4.853 -2.827) 5.682 1.793 ( -5.079 -0.277 4.875) 7.045 1.879 ( 3.459 5.288 3.070) 7.026 2.116 ( -8.472 1.389 0.151) 8.586 2.249 ( -9.911 1.106 -1.153) 10.039 2.389 ( 2.651 -2.355 -1.400) 3.813 2.525 ( 5.863 -1.490 5.738) 8.338 2.584 ( 1.946 -0.191 -6.502) 6.790 2.640 ( 3.702 1.564 -0.271) 4.028 2.808 ( -2.727 5.255 -2.093) 6.280 2.924 ( 2.913 1.866 1.325) 3.705 3.014 ( -3.175 0.775 3.709) 4.943 3.162 ( 3.276 -0.909 2.299) 4.104 3.314 ( -3.323 -3.199 -5.338) 7.055 3.427 ( 1.350 -4.045 3.828) 5.731 3.443 ( 0.602 -4.449 1.663) 4.787 3.530 ( 0.750 -6.083 1.459) 6.300 3.849 ( -0.196 -0.907 -3.615) 3.732 3.931 ( 4.665 8.332 -2.117) 9.781 4.040 ( -2.693 -2.907 -3.426) 5.239 4.112 ( 2.180 5.755 3.829) 7.248 4.325 ( -0.632 0.271 -0.004) 0.688 4.504 ( 4.932 -0.089 0.880) 5.011 4.640 ( -0.655 3.892 -0.455) 3.973 4.781 ( 6.637 -0.452 0.464) 6.669 5.605 ( -6.854 4.453 -2.813) 8.644 5.702 ( -3.475 2.479 6.778) 8.010 5.757 ( 1.162 3.512 -5.005) 6.223 5.864 ( 5.566 2.184 -1.644) 6.201 6.174 ( -0.436 -0.669 -0.458) 0.921 6.295 ( 5.258 -3.169 2.253) 6.539 6.685 ( -2.549 2.922 -4.266) 5.765 6.754 ( 1.310 -0.013 4.229) 4.427 7.597 ( -1.034 -4.344 -2.523) 5.128 7.631 ( 0.831 -4.193 2.343) 4.875 7.696 ( -0.445 -0.623 0.104) 0.772 7.730 ( 1.193 -2.377 1.971) 3.310 7.953 ( -3.272 2.596 3.560) 5.488 8.050 ( 0.773 -1.779 -3.476) 3.981 8.085 ( 1.389 -0.352 1.786) 2.290 8.151 ( 3.098 -3.853 -0.112) 4.945 8.491 ( 1.014 -0.048 1.648) 1.935 8.520 ( 2.266 -0.042 -0.700) 2.372 8.661 ( -1.433 -5.904 3.645) 7.085 8.701 ( 0.819 -4.259 -2.896) 5.215 9.430 ( -3.669 1.077 -0.947) 3.939 9.518 ( 1.318 3.793 1.017) 4.143 9.641 ( -2.958 -3.893 -0.326) 4.900 9.711 ( 0.120 -1.925 -1.579) 2.492 10.682 ( 0.276 -0.310 1.911) 1.955 10.727 ( 2.713 -0.977 -0.452) 2.919 11.140 ( -3.308 2.601 1.102) 4.349 11.221 ( 0.376 0.033 -0.938) 1.011 11.441 ( -2.997 1.353 2.924) 4.401 11.527 ( 0.969 0.301 -3.361) 3.511 11.579 ( 0.045 -2.202 0.171) 2.209 11.618 ( 1.791 -1.887 1.490) 2.998 12.371 ( 0.652 1.764 -2.661) 3.259 12.419 ( 3.624 0.528 3.795) 5.274 12.970 ( -4.297 1.684 -2.014) 5.036 13.046 ( 0.460 -0.655 1.991) 2.146 13.708 ( -6.058 0.449 1.023) 6.160 13.898 ( 4.531 -5.910 -4.656) 8.783 14.423 ( -2.154 2.588 -1.016) 3.517 14.462 ( -0.018 1.513 -1.984) 2.495 21.358 ( 1.101 -0.004 0.698) 1.304 21.406 ( 3.766 -1.509 1.530) 4.336 21.668 ( -1.042 -0.744 -0.686) 1.453 21.700 ( 0.464 -1.254 1.346) 1.897 23.336 ( -2.865 4.100 -0.453) 5.022 23.457 ( 3.996 6.458 0.976) 7.657 23.578 ( -4.264 -3.037 -2.627) 5.857 23.737 ( 4.157 -2.597 3.191) 5.849 23.837 ( -1.908 0.793 -0.917) 2.261 23.872 ( 0.135 -0.829 0.023) 0.840 24.070 ( -1.612 1.288 -2.616) 3.332 24.107 ( 0.443 0.666 1.499) 1.698 24.712 ( -0.389 0.150 -0.495) 0.647 24.720 ( -0.073 0.085 -0.982) 0.988 25.110 ( -4.264 -1.704 -1.502) 4.831 25.214 ( 1.184 -4.846 6.421) 8.131 25.868 ( -2.941 1.019 -0.543) 3.159 25.894 ( -1.841 -0.372 0.568) 1.962 26.382 ( -2.768 7.238 -1.364) 7.869 26.562 ( 6.730 1.468 -3.714) 7.825 27.624 ( -1.092 1.380 -1.361) 2.225 27.640 ( -0.120 1.410 0.510) 1.505 27.727 ( -0.474 0.085 0.041) 0.484 27.750 ( 0.759 -0.023 0.194) 0.784 29.633 ( -5.310 -2.366 -0.113) 5.814 29.689 ( -2.111 -3.835 2.289) 4.940 30.249 ( -2.051 -0.353 1.938) 2.844 30.345 ( 3.226 -3.485 -2.796) 5.511 47.749 ( -4.035 1.318 -0.395) 4.263 47.805 ( -4.367 -0.383 0.661) 4.433 47.896 ( 4.189 1.413 0.109) 4.423 47.962 ( 4.458 -0.743 -0.401) 4.537 88.813 ( -1.629 4.516 1.053) 4.915 88.884 ( 2.579 6.516 -2.092) 7.314 89.277 ( -9.125 -11.679 1.412) 14.888 89.603 ( 8.986 -18.830 -4.390) 21.321 90.406 ( 1.554 3.897 0.650) 4.245 90.446 ( 3.743 2.530 0.957) 4.618 91.275 ( -5.059 13.571 1.562) 14.567 91.357 ( -1.069 12.125 -8.008) 14.570 ======================= Grid point 193 (103/116) ======================= q-point: ( 0.25 0.29 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -4.531 7.168 -5.484) 10.099 1.252 ( -7.492 4.742 -13.425) 16.088 1.450 ( -1.325 3.001 -3.582) 4.857 1.682 ( -10.361 -3.434 0.815) 10.946 1.754 ( -0.025 0.688 2.505) 2.598 1.915 ( -1.153 -1.403 0.708) 1.949 2.022 ( -2.796 4.012 0.934) 4.978 2.168 ( -3.932 6.140 4.634) 8.639 2.385 ( -1.180 1.731 -2.929) 3.601 2.467 ( 1.617 6.945 -14.972) 16.584 2.616 ( -3.097 3.823 -4.129) 6.423 2.670 ( 2.619 0.011 0.977) 2.796 2.818 ( 1.252 -0.097 4.023) 4.214 2.953 ( 0.302 -3.356 0.526) 3.410 3.013 ( -0.116 -0.451 2.337) 2.383 3.162 ( -5.324 2.014 -3.457) 6.660 3.234 ( -0.298 -4.104 -1.939) 4.549 3.409 ( 0.085 -2.546 -1.372) 2.894 3.539 ( 1.863 -6.413 5.310) 8.532 3.561 ( 0.256 -4.277 1.953) 4.709 3.837 ( 1.460 -1.408 -0.239) 2.042 3.928 ( -0.368 4.984 -4.028) 6.419 3.993 ( -0.626 4.171 -0.070) 4.219 4.241 ( 8.292 5.247 5.473) 11.236 4.361 ( 3.071 -0.206 -1.571) 3.455 4.501 ( -0.992 6.399 -2.329) 6.882 4.697 ( 4.496 1.015 1.669) 4.902 4.881 ( 3.026 -1.835 1.589) 3.879 5.475 ( -3.149 2.528 -4.736) 6.224 5.701 ( -3.253 -0.228 4.714) 5.732 5.739 ( 2.077 0.175 -3.508) 4.080 5.911 ( 0.794 -2.937 -0.333) 3.061 6.214 ( 4.442 3.806 1.213) 5.974 6.399 ( 4.093 -3.289 2.998) 6.046 6.612 ( 0.376 6.592 -5.242) 8.431 6.800 ( -1.243 -0.293 4.227) 4.416 7.576 ( 0.380 -3.759 -0.592) 3.824 7.642 ( -0.632 -2.241 0.109) 2.331 7.718 ( 1.317 -2.112 2.582) 3.586 7.788 ( 0.927 -4.575 4.841) 6.725 7.935 ( -2.657 3.521 3.275) 5.494 8.037 ( 1.206 -0.876 -2.802) 3.174 8.152 ( 2.962 -0.654 3.882) 4.927 8.207 ( 2.547 -3.804 1.923) 4.966 8.524 ( 2.351 -0.247 0.073) 2.365 8.561 ( 1.215 -0.329 1.458) 1.926 8.685 ( -0.301 -4.803 3.919) 6.207 8.696 ( 1.007 -2.888 -0.845) 3.173 9.364 ( -2.780 0.467 -1.016) 2.997 9.521 ( -1.167 2.549 -0.905) 2.946 9.592 ( -1.668 -4.574 -1.346) 5.051 9.668 ( -2.323 -1.920 -2.873) 4.163 10.727 ( 1.761 -0.047 3.339) 3.775 10.779 ( 3.288 -0.732 0.552) 3.413 11.114 ( -1.870 1.585 2.171) 3.275 11.200 ( -1.981 -1.786 -0.239) 2.678 11.428 ( -1.426 1.767 2.207) 3.167 11.502 ( 0.075 0.810 -2.720) 2.839 11.581 ( -0.451 -1.520 -0.156) 1.593 11.646 ( 0.245 -1.781 0.082) 1.800 12.382 ( 3.417 3.258 -1.579) 4.978 12.524 ( 3.863 -1.036 3.868) 5.564 12.881 ( -4.057 3.442 -0.888) 5.394 13.060 ( -1.072 -2.217 2.041) 3.198 13.615 ( -4.443 3.203 -1.042) 5.576 13.900 ( 2.405 -5.983 -6.118) 8.888 14.354 ( -3.451 2.269 -3.376) 5.334 14.407 ( -2.274 0.958 -5.232) 5.784 21.407 ( 3.147 0.546 1.794) 3.663 21.500 ( 4.161 -3.088 2.945) 5.960 21.651 ( 0.302 1.058 -0.333) 1.149 21.727 ( 0.081 -1.338 3.104) 3.381 23.302 ( -1.143 2.879 0.195) 3.104 23.462 ( -1.715 1.601 -3.313) 4.059 23.574 ( 3.152 2.530 2.734) 4.880 23.754 ( -2.171 -0.305 -1.412) 2.607 23.823 ( -0.883 -0.218 -0.577) 1.077 23.882 ( 2.534 -1.786 0.574) 3.153 24.033 ( -0.734 1.772 -0.897) 2.117 24.114 ( -1.596 0.506 1.467) 2.226 24.697 ( -0.365 -0.016 -1.148) 1.204 24.704 ( -0.668 -0.298 -0.859) 1.128 25.043 ( -3.351 1.391 -0.030) 3.628 25.253 ( -3.896 -5.044 4.401) 7.745 25.821 ( -2.500 0.664 0.655) 2.668 25.875 ( -0.855 -2.268 1.489) 2.844 26.332 ( -0.374 7.676 -3.222) 8.333 26.605 ( 4.287 -0.524 -6.023) 7.412 27.591 ( -1.085 1.165 -1.402) 2.121 27.629 ( -0.951 0.484 -0.698) 1.275 27.728 ( 0.109 0.702 0.693) 0.992 27.762 ( 0.476 0.163 0.039) 0.505 29.548 ( -5.044 -0.283 0.606) 5.088 29.650 ( -4.408 -3.599 0.959) 5.771 30.235 ( -1.864 0.582 1.838) 2.681 30.362 ( 2.152 -3.768 -3.136) 5.354 47.690 ( -2.860 1.368 -0.025) 3.170 47.742 ( -3.719 -0.243 0.160) 3.730 47.965 ( 3.549 1.312 0.770) 3.862 48.023 ( 3.394 -0.613 -0.414) 3.473 88.790 ( -1.638 3.700 0.026) 4.046 88.898 ( 0.811 5.493 -2.322) 6.018 89.169 ( -4.005 -7.061 0.963) 8.175 89.664 ( 5.186 -18.606 -6.791) 20.475 90.466 ( 4.570 5.394 1.332) 7.194 90.531 ( 5.331 3.268 1.046) 6.340 91.178 ( -7.031 12.485 -0.543) 14.339 91.236 ( -4.881 11.549 -6.341) 14.050 ======================= Grid point 194 (104/116) ======================= q-point: ( 0.38 0.29 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 1.423 8.763 -0.792) 8.913 1.156 ( 7.836 7.064 -4.594) 11.507 1.400 ( -2.149 6.725 -4.776) 8.524 1.541 ( -3.288 -4.801 1.257) 5.953 1.746 ( -4.371 -3.039 3.624) 6.440 1.866 ( -7.123 -0.497 3.188) 7.820 2.017 ( 1.450 2.507 -3.561) 4.590 2.133 ( -3.900 -0.624 -1.859) 4.365 2.302 ( -1.983 2.419 -10.556) 11.010 2.377 ( 2.300 10.302 -4.680) 11.546 2.456 ( -7.309 5.150 -7.775) 11.849 2.680 ( -3.229 0.749 -1.284) 3.555 2.831 ( -2.929 0.999 -0.815) 3.200 2.960 ( -0.828 -5.180 5.357) 7.497 3.014 ( -2.838 2.876 -5.267) 6.639 3.042 ( 0.322 -0.699 1.044) 1.297 3.259 ( 2.478 -3.209 1.760) 4.420 3.412 ( 0.139 -1.121 -0.134) 1.137 3.575 ( 0.483 -1.918 2.065) 2.859 3.619 ( 1.777 -3.113 4.080) 5.430 3.864 ( 1.556 -0.452 0.831) 1.821 3.895 ( -0.889 4.918 0.171) 5.000 3.994 ( 0.752 6.220 -1.123) 6.365 4.283 ( -5.672 -0.266 -7.335) 9.276 4.424 ( 7.050 6.444 2.885) 9.978 4.589 ( 10.421 0.809 4.140) 11.242 4.736 ( -1.649 5.332 -0.824) 5.642 4.897 ( -1.540 2.802 0.747) 3.284 5.440 ( 1.540 -3.959 -0.432) 4.270 5.682 ( -3.606 -6.656 0.979) 7.633 5.759 ( 5.115 -2.959 -3.074) 6.661 5.887 ( -2.771 -6.058 -0.576) 6.687 6.307 ( 3.653 6.426 2.985) 7.972 6.476 ( 2.395 0.505 0.551) 2.509 6.618 ( 5.264 5.376 -2.194) 7.838 6.791 ( -4.355 0.113 3.038) 5.311 7.588 ( 0.241 -2.639 1.128) 2.880 7.632 ( 0.037 0.052 -0.681) 0.684 7.776 ( 2.452 -3.218 2.728) 4.879 7.835 ( -0.383 -5.539 3.424) 6.523 7.936 ( -0.954 2.583 3.076) 4.128 8.028 ( 0.450 -0.695 -2.239) 2.387 8.232 ( 2.586 -3.250 2.550) 4.874 8.269 ( 1.346 -3.425 3.631) 5.170 8.569 ( 2.403 1.010 1.013) 2.796 8.587 ( 1.096 0.077 1.525) 1.880 8.704 ( 1.464 -0.926 -1.182) 2.097 8.720 ( -1.339 -2.610 3.794) 4.796 9.331 ( -0.615 -0.423 0.168) 0.765 9.470 ( -2.485 -0.145 -2.724) 3.690 9.563 ( -0.146 -3.805 -1.854) 4.235 9.598 ( -2.738 -2.544 -2.247) 4.361 10.790 ( 1.557 -0.165 3.261) 3.618 10.834 ( 2.707 -0.814 0.337) 2.847 11.119 ( -0.291 0.634 1.994) 2.113 11.168 ( -1.633 -2.105 0.232) 2.674 11.438 ( -0.568 1.896 2.982) 3.579 11.486 ( 0.795 1.463 -1.690) 2.372 11.557 ( -1.933 -0.731 -0.599) 2.152 11.621 ( -1.575 -1.290 -2.596) 3.299 12.445 ( 4.790 4.281 -0.097) 6.425 12.570 ( -2.274 1.285 1.326) 2.930 12.870 ( 2.443 1.720 2.676) 4.010 13.049 ( -2.348 -2.974 1.300) 4.006 13.574 ( 0.032 3.813 1.008) 3.944 13.861 ( 0.663 -5.357 -6.975) 8.820 14.256 ( -3.823 1.632 -3.916) 5.711 14.298 ( -3.278 0.543 -6.877) 7.637 21.479 ( 3.204 1.224 1.680) 3.819 21.554 ( -0.215 -0.616 1.112) 1.289 21.695 ( 3.551 -0.939 2.469) 4.426 21.762 ( 0.279 -1.718 3.162) 3.609 23.299 ( 0.049 1.980 0.805) 2.138 23.405 ( -1.317 0.236 -3.151) 3.423 23.648 ( 2.240 2.146 2.390) 3.916 23.716 ( -0.665 0.217 -0.825) 1.082 23.800 ( -0.073 1.657 -0.681) 1.793 23.917 ( 0.018 -1.743 0.199) 1.754 24.022 ( 0.324 2.398 -0.688) 2.516 24.091 ( -2.039 1.022 0.550) 2.346 24.681 ( -0.291 -0.016 -0.940) 0.984 24.687 ( -0.436 -0.434 -0.576) 0.843 24.999 ( -2.603 2.476 1.333) 3.832 25.178 ( -6.702 -2.798 -0.106) 7.264 25.809 ( -0.633 0.303 2.367) 2.469 25.896 ( 0.595 -2.833 1.553) 3.285 26.318 ( 1.704 5.028 -1.213) 5.445 26.582 ( 1.258 -2.209 -7.949) 8.345 27.567 ( -0.415 0.917 -0.727) 1.242 27.603 ( -0.857 0.104 -1.315) 1.573 27.740 ( 0.254 0.791 0.939) 1.254 27.767 ( 0.185 0.183 -0.109) 0.283 29.493 ( -2.918 0.583 1.641) 3.398 29.580 ( -4.175 -2.267 -0.232) 4.756 30.227 ( -1.466 1.073 2.335) 2.959 30.351 ( 0.851 -3.146 -3.994) 5.155 47.658 ( -1.236 1.270 0.223) 1.786 47.691 ( -2.353 0.284 -0.204) 2.379 48.020 ( 2.122 0.972 0.978) 2.531 48.061 ( 1.796 -0.356 -0.570) 1.917 88.764 ( -1.408 2.527 -0.008) 2.893 88.851 ( -2.025 2.112 -3.664) 4.689 89.199 ( 3.398 -2.809 4.813) 6.527 89.637 ( 0.971 -15.624 -8.965) 18.040 90.568 ( 5.412 6.582 2.118) 8.781 90.628 ( 4.256 4.733 1.631) 6.571 91.057 ( -4.896 11.177 -3.064) 12.581 91.091 ( -5.594 11.020 -4.946) 13.311 ======================= Grid point 195 (105/116) ======================= q-point: (-0.50 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 5.961 9.035 3.938) 11.518 1.179 ( -4.930 10.122 -4.677) 12.192 1.467 ( 16.744 4.843 3.281) 17.737 1.552 ( -8.843 6.132 -1.502) 10.865 1.700 ( -5.211 -2.932 3.088) 6.730 1.730 ( -1.885 -1.914 -1.951) 3.320 2.001 ( -0.503 -0.215 0.482) 0.729 2.083 ( 2.081 -6.761 0.815) 7.120 2.135 ( -5.535 -1.161 -9.557) 11.105 2.243 ( -4.699 2.145 -10.986) 12.140 2.455 ( 2.438 10.008 6.373) 12.113 2.568 ( -1.723 8.724 -4.902) 10.154 2.830 ( 0.205 0.690 4.302) 4.362 2.930 ( -2.351 0.544 -4.806) 5.377 2.991 ( -3.718 -3.120 6.083) 7.782 3.075 ( 4.226 -3.291 -2.005) 5.719 3.322 ( 0.323 -3.056 3.792) 4.881 3.390 ( -0.105 -0.804 -2.293) 2.432 3.622 ( 0.835 1.951 2.777) 3.495 3.649 ( 0.097 1.045 -0.087) 1.053 3.905 ( 1.598 1.335 0.693) 2.194 3.930 ( 1.615 1.772 2.754) 3.651 3.986 ( 1.522 5.517 0.082) 5.724 4.111 ( -5.096 1.528 -7.416) 9.127 4.540 ( 1.333 7.041 4.853) 8.654 4.650 ( -1.849 8.108 -5.205) 9.811 4.799 ( 7.102 0.319 3.313) 7.843 4.851 ( -2.882 2.622 -1.830) 4.305 5.469 ( -4.684 -7.850 7.097) 11.573 5.627 ( 2.842 -10.160 -6.275) 12.275 5.800 ( -3.842 -6.117 0.874) 7.276 5.854 ( 5.516 -6.266 -3.306) 8.978 6.380 ( 0.378 7.650 4.748) 9.012 6.469 ( -0.878 6.020 -3.491) 7.014 6.715 ( -5.083 0.128 1.382) 5.269 6.730 ( 6.060 0.068 -0.023) 6.060 7.593 ( -1.375 0.089 2.083) 2.498 7.635 ( 1.487 0.432 -1.694) 2.295 7.839 ( -0.207 -4.991 1.418) 5.193 7.845 ( 1.827 -4.299 0.905) 4.758 7.959 ( -0.309 0.508 2.589) 2.656 8.012 ( 1.214 -0.498 -2.579) 2.893 8.285 ( 1.064 -5.153 1.880) 5.588 8.298 ( -0.607 -4.815 1.066) 4.968 8.608 ( 0.191 2.350 2.168) 3.203 8.635 ( 2.136 1.410 0.461) 2.600 8.704 ( -3.060 0.374 0.847) 3.196 8.723 ( 2.940 -0.145 -0.852) 3.065 9.344 ( 0.569 -0.628 1.974) 2.148 9.402 ( -1.779 -1.889 -3.228) 4.141 9.546 ( -1.872 -3.152 -0.560) 3.708 9.555 ( 1.179 -3.976 -1.274) 4.339 10.829 ( -0.321 -0.392 2.154) 2.213 10.868 ( 2.030 -1.357 -1.290) 2.762 11.135 ( 0.371 -0.077 1.189) 1.248 11.158 ( 0.359 -1.297 -0.243) 1.368 11.459 ( -1.431 1.384 4.158) 4.610 11.498 ( -0.398 0.856 -0.315) 0.995 11.516 ( -0.482 1.207 0.164) 1.310 11.571 ( 0.372 -0.121 -4.147) 4.165 12.501 ( -3.201 4.558 1.621) 5.801 12.529 ( 2.532 4.488 -0.767) 5.210 12.969 ( 4.690 -1.233 2.991) 5.698 13.009 ( -3.102 -2.306 -0.684) 3.925 13.631 ( 2.136 1.309 5.335) 5.894 13.777 ( -2.065 -3.449 -8.350) 9.268 14.172 ( -2.680 1.248 -1.273) 3.219 14.203 ( -0.668 0.333 -4.145) 4.212 21.533 ( 0.666 1.592 1.090) 2.041 21.544 ( -0.183 1.684 -0.055) 1.695 21.768 ( 0.632 -2.492 2.400) 3.517 21.787 ( 1.096 -2.421 0.484) 2.702 23.316 ( 0.473 1.274 1.512) 2.033 23.357 ( -0.970 0.243 -2.553) 2.742 23.685 ( 0.243 0.370 1.314) 1.387 23.709 ( -0.007 -0.335 -0.745) 0.816 23.827 ( 2.313 2.197 2.204) 3.877 23.870 ( -3.552 0.454 -1.682) 3.956 24.043 ( 1.065 2.909 0.244) 3.108 24.067 ( 0.874 2.083 -1.655) 2.800 24.672 ( -0.124 0.052 -0.100) 0.168 24.678 ( -0.150 -0.215 -0.436) 0.509 25.005 ( 0.684 1.281 4.135) 4.383 25.075 ( -3.718 -0.402 -2.028) 4.254 25.843 ( 1.037 0.330 3.262) 3.439 25.899 ( -0.323 -1.164 -1.456) 1.892 26.361 ( 1.288 1.004 3.625) 3.976 26.497 ( -0.981 -2.812 -8.928) 9.412 27.564 ( 0.390 0.619 0.088) 0.737 27.580 ( -0.315 0.179 -1.372) 1.419 27.752 ( -0.088 0.518 0.957) 1.092 27.766 ( 0.018 0.231 -0.380) 0.445 29.490 ( 0.114 0.080 2.707) 2.711 29.523 ( -1.997 -0.806 -0.574) 2.228 30.237 ( -0.755 0.601 3.318) 3.456 30.320 ( 0.694 -2.030 -4.419) 4.912 47.656 ( 0.648 1.024 0.361) 1.264 47.664 ( -0.536 0.884 -0.440) 1.124 48.050 ( 0.367 0.585 0.895) 1.130 48.068 ( -0.078 -0.024 -0.835) 0.839 88.753 ( -0.485 1.673 1.120) 2.071 88.795 ( -0.366 1.220 -2.965) 3.227 89.328 ( 3.658 -4.657 8.003) 9.956 89.521 ( -3.278 -10.636 -10.554) 15.338 90.653 ( 0.269 6.870 3.066) 7.528 90.663 ( -2.996 6.144 1.969) 7.114 90.985 ( -0.530 10.603 -3.100) 11.059 91.009 ( 4.878 10.877 -5.579) 13.162 ======================= Grid point 196 (106/116) ======================= q-point: (-0.38 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -4.318 14.501 -2.754) 15.378 1.171 ( -14.586 7.626 -6.504) 17.698 1.310 ( 4.548 7.610 3.933) 9.699 1.591 ( -1.923 -3.617 -3.242) 5.224 1.760 ( 4.518 -2.902 4.370) 6.923 1.859 ( 8.530 1.770 3.613) 9.431 1.968 ( 0.028 -0.463 0.316) 0.561 2.059 ( -1.758 0.143 5.940) 6.196 2.143 ( 0.894 3.886 -1.600) 4.297 2.192 ( 4.609 -1.112 6.364) 7.937 2.472 ( 0.535 10.557 -2.316) 10.821 2.663 ( 11.238 3.444 1.476) 11.847 2.830 ( -4.156 0.624 -0.601) 4.245 2.898 ( 0.763 1.418 4.535) 4.813 2.983 ( -2.114 -2.917 3.479) 5.008 3.106 ( 2.310 -2.730 -4.081) 5.426 3.277 ( -4.809 -1.710 0.129) 5.105 3.429 ( 3.407 -2.552 -1.046) 4.384 3.599 ( -2.196 1.829 -0.320) 2.876 3.671 ( 0.529 -0.409 -0.873) 1.100 3.876 ( -3.011 4.205 -1.607) 5.415 3.930 ( -0.932 0.905 -1.386) 1.900 4.027 ( 2.442 3.456 -4.549) 6.213 4.117 ( 5.961 0.649 7.985) 9.986 4.473 ( -6.571 7.489 -1.121) 10.026 4.626 ( -8.228 2.500 -0.021) 8.599 4.765 ( 3.238 4.660 -3.747) 6.800 4.911 ( 2.725 0.309 -0.593) 2.806 5.399 ( -8.135 -6.210 4.336) 11.115 5.670 ( -0.268 -6.435 2.116) 6.779 5.743 ( 3.033 -7.371 -3.399) 8.665 5.923 ( 5.246 -6.253 -3.048) 8.712 6.358 ( -5.791 6.201 -0.944) 8.537 6.445 ( -0.392 7.671 2.202) 7.990 6.599 ( -7.410 1.409 -0.356) 7.551 6.841 ( 5.867 -2.021 -1.416) 6.365 7.587 ( -1.657 0.474 1.451) 2.253 7.640 ( 1.276 -0.247 -1.647) 2.098 7.815 ( -1.722 -3.409 -0.797) 3.902 7.889 ( 2.515 -5.564 -1.566) 6.304 7.962 ( -0.636 0.396 0.788) 1.088 8.030 ( 3.079 -0.015 -2.437) 3.927 8.264 ( -2.874 -4.613 -0.527) 5.460 8.312 ( 0.108 -5.896 -0.081) 5.897 8.598 ( -2.404 0.529 -0.158) 2.467 8.622 ( -1.774 4.211 -3.377) 5.682 8.679 ( -0.623 -0.129 1.630) 1.750 8.783 ( 4.308 -0.861 -1.776) 4.739 9.340 ( -1.366 -0.329 -0.359) 1.450 9.404 ( 1.921 -1.214 2.586) 3.443 9.530 ( -0.118 -3.400 0.940) 3.530 9.577 ( 2.260 -4.434 0.004) 4.976 10.821 ( -1.961 -0.035 0.452) 2.012 10.869 ( 0.483 -1.756 -3.252) 3.727 11.156 ( 1.222 -0.653 -0.068) 1.387 11.168 ( 1.785 -0.513 -0.997) 2.108 11.443 ( -3.477 1.476 0.704) 3.842 11.472 ( -1.608 -0.004 3.100) 3.492 11.562 ( 2.577 0.827 -2.049) 3.395 11.571 ( 3.235 0.948 1.329) 3.624 12.435 ( -5.200 5.581 1.153) 7.715 12.588 ( 3.473 2.339 -0.420) 4.208 12.934 ( -3.301 -0.137 -3.040) 4.490 13.057 ( 3.563 -2.405 0.758) 4.365 13.635 ( -3.936 0.412 -4.531) 6.016 13.726 ( 0.638 -1.859 4.876) 5.257 14.174 ( 1.356 1.297 4.153) 4.557 14.206 ( 2.631 0.549 0.869) 2.824 21.505 ( -2.430 1.797 -0.642) 3.090 21.567 ( 1.092 1.011 -0.197) 1.501 21.738 ( -3.597 -2.250 -1.209) 4.412 21.809 ( 0.775 -2.321 -1.297) 2.769 23.317 ( -0.842 1.108 -0.595) 1.513 23.355 ( 1.559 0.545 1.271) 2.084 23.687 ( -1.476 0.388 -1.297) 2.003 23.695 ( -0.286 -0.350 1.116) 1.204 23.794 ( -2.494 2.081 -0.151) 3.252 23.900 ( 0.917 -0.987 1.866) 2.301 24.029 ( 0.947 4.224 -1.448) 4.565 24.111 ( 4.224 2.318 -1.643) 5.090 24.673 ( 0.048 0.032 0.105) 0.120 24.676 ( 0.274 -0.087 0.357) 0.459 25.025 ( -0.180 1.825 -0.830) 2.013 25.115 ( 6.110 -0.970 5.544) 8.307 25.870 ( 0.252 -0.260 -2.777) 2.801 25.892 ( 1.027 -0.412 1.713) 2.039 26.347 ( -4.696 0.005 -2.272) 5.217 26.455 ( 1.362 -1.210 1.726) 2.509 27.565 ( 0.041 0.515 -0.511) 0.727 27.583 ( 1.249 0.250 0.410) 1.338 27.752 ( -0.620 0.431 0.257) 0.798 27.763 ( -0.079 0.303 -0.112) 0.332 29.509 ( 0.682 0.029 -0.044) 0.684 29.547 ( 3.086 -1.807 3.195) 4.795 30.265 ( -0.450 -0.879 4.015) 4.135 30.295 ( 1.479 -1.335 -3.996) 4.465 47.666 ( 1.423 1.389 -0.597) 2.076 47.685 ( 2.519 0.660 0.367) 2.630 48.042 ( -1.945 0.347 -1.082) 2.253 48.049 ( -1.433 0.192 0.590) 1.562 88.770 ( 0.974 1.900 0.784) 2.274 88.793 ( 2.161 1.556 0.410) 2.694 89.333 ( -6.423 -5.340 -7.833) 11.451 89.456 ( 0.841 -9.277 7.512) 11.967 90.578 ( -7.476 6.420 1.204) 9.928 90.624 ( -6.378 5.392 2.063) 8.603 91.026 ( 7.227 11.802 -1.390) 13.908 91.103 ( 11.389 11.693 -4.918) 17.048 ======================= Grid point 197 (107/116) ======================= q-point: (-0.25 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -0.453 12.815 4.759) 13.678 1.022 ( 0.217 10.873 5.264) 12.083 1.400 ( 2.627 3.610 0.397) 4.482 1.643 ( 8.684 -6.210 3.074) 11.110 1.813 ( -0.253 0.427 -0.847) 0.982 1.892 ( -0.814 -2.695 1.762) 3.321 2.062 ( 1.834 3.688 1.479) 4.377 2.131 ( 0.609 7.709 12.750) 14.912 2.225 ( 4.907 2.768 4.463) 7.187 2.280 ( 1.494 4.773 0.866) 5.076 2.530 ( 5.616 6.062 2.837) 8.737 2.713 ( -2.865 0.407 -2.857) 4.067 2.838 ( 1.039 -1.403 1.275) 2.161 2.990 ( 0.769 -3.829 1.715) 4.266 3.016 ( 2.368 1.140 4.322) 5.058 3.078 ( 3.439 3.088 -1.098) 4.751 3.219 ( -2.375 -2.134 -0.389) 3.216 3.426 ( -0.148 -2.637 -2.924) 3.940 3.586 ( 0.591 -3.597 -0.597) 3.694 3.636 ( -1.572 -4.043 -3.346) 5.478 3.834 ( -1.756 4.637 0.318) 4.969 3.894 ( -1.618 1.897 -0.672) 2.582 4.029 ( 1.508 1.533 -3.691) 4.272 4.276 ( 3.003 -0.979 6.353) 7.095 4.355 ( -6.063 5.675 -5.231) 9.815 4.466 ( -5.290 2.910 1.171) 6.150 4.751 ( -2.741 0.450 -3.785) 4.695 4.910 ( -2.584 -2.616 -0.886) 3.782 5.369 ( 0.665 2.934 5.261) 6.060 5.643 ( -3.575 0.380 3.973) 5.358 5.812 ( 6.488 -5.753 -4.640) 9.834 5.949 ( 1.531 -3.946 -3.647) 5.587 6.241 ( -6.088 4.020 -1.359) 7.421 6.454 ( -1.824 -1.942 -0.911) 2.816 6.493 ( -5.373 9.273 4.622) 11.671 6.882 ( 2.343 -2.031 -3.472) 4.655 7.568 ( -1.560 -1.359 0.467) 2.121 7.648 ( 1.049 -0.886 -0.711) 1.547 7.776 ( -1.113 -2.618 -2.371) 3.703 7.889 ( 0.902 -5.850 -4.307) 7.320 7.967 ( -0.113 1.470 1.210) 1.907 8.041 ( 2.444 1.011 -4.495) 5.216 8.203 ( -3.404 -3.917 -1.070) 5.298 8.278 ( -2.067 -4.490 -3.520) 6.069 8.539 ( -2.772 0.629 -1.685) 3.305 8.581 ( -0.972 0.773 -0.848) 1.504 8.674 ( -1.290 -0.418 0.367) 1.405 8.797 ( 1.739 -3.291 -5.233) 6.422 9.340 ( 0.918 0.430 1.217) 1.584 9.467 ( 1.299 0.827 4.053) 4.335 9.561 ( 2.089 -3.486 1.769) 4.432 9.623 ( 2.497 -4.365 1.126) 5.154 10.781 ( -2.579 0.218 -0.809) 2.712 10.821 ( -1.468 -1.406 -4.473) 4.913 11.166 ( 2.113 0.442 -2.635) 3.407 11.202 ( 2.526 -1.162 -0.090) 2.782 11.410 ( -2.497 1.896 2.482) 3.998 11.481 ( 0.197 -0.390 1.540) 1.601 11.581 ( 1.468 0.206 -0.984) 1.779 11.635 ( 1.942 -0.498 1.121) 2.297 12.358 ( -4.914 5.131 0.770) 7.146 12.594 ( -1.843 -1.897 -2.718) 3.792 12.885 ( 1.434 3.667 -1.457) 4.199 13.097 ( 1.648 -2.720 -1.316) 3.442 13.590 ( 2.040 2.308 0.706) 3.160 13.772 ( -1.548 -3.187 6.004) 6.972 14.272 ( 3.516 1.263 5.710) 6.824 14.286 ( 3.462 1.546 4.647) 5.997 21.448 ( -2.880 1.310 -1.917) 3.700 21.555 ( -2.417 -2.458 -2.034) 4.002 21.659 ( -2.966 1.111 -1.157) 3.372 21.789 ( -0.447 -2.038 -2.699) 3.412 23.308 ( 0.378 2.019 -0.269) 2.072 23.404 ( 2.386 0.977 2.149) 3.357 23.628 ( -3.463 2.266 -2.423) 4.796 23.714 ( 0.984 -0.473 2.159) 2.419 23.788 ( 0.320 1.019 2.026) 2.290 23.889 ( -2.650 -2.288 0.494) 3.536 24.044 ( 1.688 3.458 -1.933) 4.306 24.159 ( 3.969 1.202 -2.770) 4.987 24.679 ( 0.465 0.155 0.458) 0.671 24.691 ( 0.892 -0.389 0.668) 1.180 25.036 ( 1.270 2.865 0.523) 3.177 25.277 ( 6.819 -4.619 2.543) 8.620 25.858 ( 1.850 0.205 -2.855) 3.408 25.903 ( 0.140 -1.694 -0.761) 1.862 26.279 ( -1.328 4.586 1.103) 4.900 26.489 ( -1.691 0.126 4.631) 4.931 27.570 ( 0.544 0.979 0.514) 1.233 27.613 ( 1.545 0.096 0.727) 1.710 27.742 ( -0.418 0.506 -0.367) 0.753 27.758 ( -0.526 0.327 0.217) 0.657 29.542 ( 2.644 -0.053 1.030) 2.838 29.639 ( 4.247 -4.398 2.404) 6.569 30.288 ( 0.630 -1.905 -0.065) 2.007 30.292 ( 0.243 -1.945 0.405) 2.001 47.697 ( 3.038 1.750 -0.695) 3.574 47.742 ( 3.990 0.161 0.154) 3.997 47.986 ( -3.494 0.697 -1.204) 3.761 48.016 ( -3.082 -0.203 0.245) 3.099 88.795 ( 1.947 3.293 -0.527) 3.862 88.853 ( 2.002 3.270 2.117) 4.380 89.200 ( -0.963 -4.937 -2.708) 5.713 89.512 ( -3.485 -13.550 7.636) 15.939 90.473 ( -6.060 5.560 0.727) 8.256 90.530 ( -6.472 3.817 1.223) 7.612 91.147 ( 7.325 13.027 0.498) 14.954 91.249 ( 12.511 12.929 -5.904) 18.935 ======================= Grid point 198 (108/116) ======================= q-point: (-0.12 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 5.800 11.404 5.636) 13.981 1.246 ( 11.327 7.282 17.345) 21.959 1.477 ( 4.794 1.494 0.483) 5.045 1.734 ( -4.383 3.429 -3.670) 6.667 1.832 ( 6.835 -3.420 5.168) 9.226 1.881 ( -0.606 -1.034 -1.628) 2.022 2.135 ( 4.785 1.223 0.346) 4.951 2.252 ( -0.552 10.590 14.750) 18.167 2.289 ( -1.998 3.325 2.013) 4.370 2.346 ( 6.236 1.253 1.385) 6.510 2.618 ( 0.328 3.725 3.651) 5.226 2.639 ( -2.414 -2.475 -3.252) 4.747 2.817 ( -3.448 1.632 -2.408) 4.511 2.941 ( -3.807 -1.533 0.105) 4.105 3.041 ( 2.438 0.600 0.106) 2.513 3.200 ( 0.884 0.215 0.254) 0.944 3.215 ( 2.431 0.106 2.270) 3.327 3.419 ( 1.565 -5.343 0.298) 5.576 3.564 ( -1.656 -5.870 -3.500) 7.032 3.577 ( -1.258 -6.345 -4.275) 7.753 3.804 ( -2.106 3.784 0.971) 4.438 3.889 ( 0.573 3.906 1.507) 4.225 4.011 ( 0.183 -0.236 -0.987) 1.031 4.206 ( -3.764 4.332 -5.222) 7.759 4.318 ( 0.528 0.615 0.847) 1.173 4.486 ( -0.004 1.718 3.281) 3.704 4.647 ( -4.215 0.286 -3.010) 5.187 4.815 ( -5.713 -4.089 -1.406) 7.165 5.514 ( 8.374 7.482 5.814) 12.646 5.647 ( -1.314 3.101 4.559) 5.668 5.838 ( 2.809 -0.105 -5.325) 6.021 5.892 ( -3.276 1.341 -4.417) 5.661 6.170 ( -1.123 -0.919 -0.269) 1.476 6.351 ( -5.690 -2.257 -2.767) 6.717 6.545 ( 1.129 4.874 7.976) 9.415 6.857 ( -0.331 -1.192 -4.708) 4.868 7.558 ( -0.378 -2.734 1.170) 2.998 7.657 ( 0.645 -1.677 -0.524) 1.872 7.734 ( -0.729 -2.203 -3.137) 3.902 7.832 ( -1.278 -4.405 -6.304) 7.796 7.971 ( -1.879 1.321 2.755) 3.587 8.040 ( 3.580 1.601 -4.953) 6.317 8.139 ( -2.725 -3.294 -1.321) 4.474 8.194 ( -2.722 -3.532 -4.657) 6.447 8.488 ( -2.290 -0.228 -0.324) 2.324 8.556 ( -0.842 0.059 -1.841) 2.025 8.657 ( -1.404 -3.023 1.226) 3.552 8.758 ( 0.708 -4.554 -5.655) 7.295 9.388 ( 2.377 1.858 2.761) 4.090 9.507 ( -0.515 1.625 2.333) 2.890 9.624 ( 3.463 -2.935 1.537) 4.793 9.670 ( 1.203 -3.840 1.738) 4.383 10.728 ( -2.623 -0.073 -1.035) 2.821 10.751 ( -1.386 -1.006 -4.115) 4.458 11.179 ( 2.590 1.462 -2.447) 3.852 11.228 ( 0.846 0.072 -1.332) 1.580 11.411 ( -1.270 1.371 4.299) 4.688 11.510 ( 1.826 -0.496 0.653) 2.001 11.580 ( -0.672 -0.714 -0.803) 1.268 11.641 ( -1.084 -0.976 -0.750) 1.640 12.316 ( -1.864 3.751 2.465) 4.860 12.500 ( -4.078 -1.817 -4.109) 6.067 12.937 ( 3.909 3.267 1.074) 5.207 13.089 ( -0.422 -1.721 -2.122) 2.765 13.694 ( 6.911 -0.808 2.570) 7.418 13.796 ( -1.980 -3.204 4.816) 6.114 14.374 ( 3.257 1.745 3.787) 5.291 14.387 ( 2.195 2.106 5.076) 5.918 21.386 ( -1.983 0.616 -1.940) 2.842 21.454 ( -5.067 -2.058 -2.973) 6.225 21.644 ( 0.182 0.958 0.928) 1.346 21.751 ( -0.730 -2.166 -2.857) 3.659 23.327 ( 1.888 3.337 0.449) 3.860 23.460 ( 0.528 4.718 0.874) 4.827 23.556 ( -0.977 -0.423 -0.686) 1.267 23.756 ( 0.031 -2.254 2.000) 3.013 23.823 ( 0.183 -0.182 0.970) 1.004 23.843 ( -1.461 -1.023 1.214) 2.158 24.048 ( 1.097 2.926 -0.936) 3.262 24.172 ( 1.713 0.205 -4.208) 4.548 24.695 ( 0.692 0.244 0.695) 1.011 24.714 ( 1.189 -0.325 0.192) 1.247 25.068 ( 1.066 1.148 2.289) 2.774 25.319 ( -1.442 -7.229 -3.277) 8.067 25.873 ( 2.514 1.248 -1.250) 3.073 25.911 ( 1.623 -0.501 -0.956) 1.949 26.332 ( 4.391 5.913 3.329) 8.082 26.487 ( -3.425 2.371 3.522) 5.455 27.591 ( 0.826 1.517 1.512) 2.296 27.642 ( 1.184 0.470 0.353) 1.322 27.733 ( -0.015 0.263 -0.481) 0.548 27.751 ( -0.701 0.215 0.199) 0.760 29.607 ( 3.008 -1.073 2.214) 3.886 29.709 ( 1.936 -5.913 0.748) 6.267 30.287 ( -2.797 -2.442 2.852) 4.682 30.300 ( 2.758 -2.084 -3.015) 4.587 47.748 ( 3.947 1.967 -0.471) 4.435 47.813 ( 4.715 -0.337 -0.124) 4.729 47.909 ( -4.386 0.952 -1.160) 4.636 47.957 ( -4.221 -0.572 0.083) 4.261 88.815 ( 0.381 5.154 0.462) 5.188 88.869 ( -0.021 5.084 -0.445) 5.103 89.280 ( 9.644 -10.963 1.228) 14.653 89.492 ( -7.119 -15.600 6.126) 18.209 90.406 ( -2.824 4.243 0.665) 5.140 90.449 ( -4.413 2.797 0.677) 5.269 91.254 ( 4.046 13.824 1.796) 14.516 91.372 ( 10.158 13.230 -7.756) 18.395 ======================= Grid point 199 (109/116) ======================= q-point: ( 0.00 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 3.460 7.280 2.509) 8.442 1.485 ( -2.805 0.946 -3.111) 4.294 1.675 ( 4.720 5.336 7.825) 10.582 1.746 ( 0.703 -0.442 1.544) 1.754 1.846 ( -0.510 -0.238 4.197) 4.235 1.867 ( 1.369 -2.524 2.575) 3.857 2.255 ( 3.838 1.527 2.651) 4.908 2.290 ( -1.862 0.945 -0.161) 2.094 2.332 ( -1.481 0.584 -1.427) 2.138 2.420 ( -7.179 -5.165 -6.244) 10.826 2.542 ( 2.854 2.255 3.089) 4.772 2.596 ( 1.170 -3.193 -1.724) 3.813 2.881 ( -1.198 4.607 7.288) 8.705 2.933 ( -1.318 -0.669 5.194) 5.400 3.110 ( 1.032 3.673 -3.975) 5.510 3.158 ( 0.140 -0.314 -5.694) 5.705 3.305 ( 1.454 2.088 2.818) 3.797 3.369 ( 1.678 -4.439 1.752) 5.059 3.377 ( -2.181 -2.100 -3.789) 4.850 3.408 ( -2.717 -4.258 -2.143) 5.486 3.929 ( 2.066 5.515 2.290) 6.319 3.978 ( 0.701 5.345 -1.666) 5.642 4.023 ( 2.865 -3.515 2.303) 5.087 4.085 ( -2.589 -4.942 -2.612) 6.161 4.369 ( 0.890 1.216 0.185) 1.518 4.391 ( -3.222 -1.061 -1.588) 3.745 4.712 ( 1.290 3.648 2.657) 4.694 4.752 ( 1.092 -0.554 -0.823) 1.475 5.740 ( -1.754 2.964 4.517) 5.681 5.762 ( -1.786 1.211 2.825) 3.555 5.832 ( 3.114 3.129 -4.934) 6.621 5.866 ( 4.524 -0.054 -6.785) 8.155 6.161 ( 1.129 -0.345 1.476) 1.890 6.185 ( -2.832 -2.651 -0.735) 3.948 6.715 ( -0.233 4.409 4.645) 6.409 6.779 ( -1.368 -1.776 -1.522) 2.710 7.534 ( 0.171 -0.438 0.506) 0.691 7.574 ( -1.175 -3.875 -3.264) 5.201 7.681 ( -0.016 -0.444 -0.065) 0.449 7.700 ( -0.573 -2.361 -1.827) 3.040 7.979 ( -1.579 0.867 1.763) 2.520 8.017 ( -1.469 -3.156 -1.107) 3.653 8.090 ( 1.158 1.458 -2.158) 2.850 8.104 ( 0.613 -0.224 -3.026) 3.096 8.481 ( -0.714 1.830 1.709) 2.604 8.524 ( 0.080 -1.408 -0.747) 1.596 8.586 ( -1.085 -0.467 -1.290) 1.749 8.633 ( 0.590 -4.234 -4.514) 6.217 9.505 ( -0.342 2.776 2.537) 3.777 9.536 ( 1.084 0.624 -0.424) 1.321 9.627 ( -1.449 -1.413 2.534) 3.243 9.644 ( 2.354 -2.258 0.831) 3.367 10.684 ( -0.962 0.277 -0.995) 1.411 10.694 ( 0.094 -0.786 -1.981) 2.133 11.222 ( -0.160 1.164 -0.925) 1.495 11.230 ( 0.766 0.307 -1.646) 1.842 11.471 ( -0.676 2.120 4.310) 4.851 11.519 ( 0.262 -2.765 3.322) 4.330 11.547 ( -0.118 1.060 -3.071) 3.251 11.574 ( -1.035 -1.695 -2.306) 3.044 12.382 ( 0.289 1.851 1.408) 2.343 12.407 ( -0.900 -0.787 -1.056) 1.595 13.025 ( 0.795 0.870 0.314) 1.220 13.038 ( -0.884 -0.575 -0.982) 1.441 13.751 ( -0.676 0.064 2.148) 2.253 13.773 ( 2.661 -2.349 0.052) 3.550 14.467 ( 0.583 0.913 2.268) 2.513 14.471 ( 1.129 0.477 1.831) 2.203 21.358 ( -0.710 0.120 -0.739) 1.032 21.363 ( -0.797 -0.426 -1.239) 1.534 21.660 ( -0.158 0.337 0.335) 0.501 21.678 ( -0.417 -1.513 -1.374) 2.086 23.471 ( 3.513 5.116 2.013) 6.525 23.513 ( -4.261 4.961 -1.896) 6.809 23.564 ( 4.780 -3.558 2.529) 6.473 23.614 ( -4.596 -4.711 -2.075) 6.900 23.855 ( 0.498 0.541 1.926) 2.062 23.862 ( 0.044 -0.150 1.451) 1.459 24.104 ( 0.691 1.722 -1.061) 2.137 24.130 ( -0.099 -0.904 -3.363) 3.484 24.718 ( 0.541 0.395 0.246) 0.714 24.725 ( 0.627 -0.222 -0.317) 0.737 25.104 ( -0.565 0.232 1.868) 1.965 25.137 ( -2.925 -3.168 -1.149) 4.462 25.918 ( 0.085 0.750 -0.268) 0.801 25.922 ( -0.139 0.298 -0.615) 0.697 26.499 ( 0.930 2.511 1.973) 3.326 26.517 ( 2.266 0.640 0.209) 2.364 27.652 ( 0.752 1.345 1.152) 1.924 27.664 ( 0.304 0.148 0.097) 0.352 27.734 ( 0.131 -0.017 -0.146) 0.196 27.736 ( -0.599 -0.220 -0.289) 0.701 29.631 ( -0.064 -1.031 1.833) 2.104 29.639 ( -1.289 -1.987 1.230) 2.669 30.253 ( -0.525 0.147 0.549) 0.773 30.273 ( 1.462 -1.957 -1.387) 2.809 47.843 ( 0.527 1.341 0.061) 1.442 47.850 ( -1.982 1.194 -0.625) 2.397 47.869 ( -0.802 -0.936 0.091) 1.236 47.875 ( 2.198 -0.985 -0.643) 2.493 88.951 ( -2.910 8.762 2.686) 9.615 89.004 ( 3.791 8.616 -2.324) 9.696 89.150 ( -5.549 -12.018 3.017) 13.577 89.201 ( 6.593 -12.086 -1.808) 13.886 90.439 ( -0.544 1.386 0.860) 1.719 90.443 ( -0.733 1.039 0.526) 1.376 91.507 ( 0.690 7.183 -0.698) 7.250 91.555 ( 2.740 2.369 -5.465) 6.556 ======================= Grid point 200 (110/116) ======================= q-point: ( 0.12 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -6.614 7.607 -2.590) 10.408 1.467 ( -1.774 -2.371 1.594) 3.362 1.628 ( -8.783 6.467 -5.946) 12.422 1.748 ( -5.083 -4.260 -3.212) 7.369 1.814 ( -2.690 3.733 1.500) 4.840 1.892 ( -0.988 -3.343 -0.530) 3.526 2.172 ( -5.725 4.384 -1.196) 7.309 2.249 ( -4.901 -2.414 -1.060) 5.566 2.384 ( 5.317 3.098 4.622) 7.696 2.467 ( 7.917 -4.207 7.418) 11.636 2.599 ( 3.450 1.347 -4.342) 5.707 2.634 ( 5.122 -1.982 -1.654) 5.736 2.893 ( -4.534 3.862 1.800) 6.222 2.942 ( -1.704 -0.812 -0.273) 1.907 3.046 ( -3.637 3.218 0.239) 4.863 3.118 ( -1.343 -3.797 -0.063) 4.028 3.306 ( -1.091 2.403 -1.009) 2.825 3.370 ( 0.072 -3.303 -1.467) 3.615 3.391 ( 3.502 -0.380 1.877) 3.991 3.426 ( 2.300 -4.259 2.422) 5.412 3.868 ( -3.735 3.044 -1.684) 5.104 3.952 ( -5.102 -5.284 -1.802) 7.563 4.081 ( 7.234 6.599 -1.410) 9.892 4.159 ( 5.539 -1.196 1.357) 5.827 4.377 ( 3.224 4.605 0.542) 5.648 4.461 ( 7.256 -3.809 1.926) 8.419 4.720 ( -0.621 3.777 -1.794) 4.227 4.767 ( 2.369 -1.355 -1.388) 3.062 5.688 ( -6.836 3.949 0.426) 7.906 5.731 ( -4.821 -0.171 4.085) 6.321 5.822 ( 1.096 3.105 -5.985) 6.831 5.866 ( 2.358 -1.517 -5.007) 5.739 6.182 ( 3.020 1.819 0.653) 3.586 6.234 ( 4.675 -3.310 1.968) 6.057 6.743 ( -0.899 2.417 -0.824) 2.707 6.760 ( 0.100 0.297 3.413) 3.428 7.534 ( -0.752 -1.413 -0.721) 1.756 7.558 ( 0.670 -3.395 2.251) 4.128 7.677 ( -0.666 -0.889 -0.298) 1.150 7.685 ( -0.321 -1.649 1.388) 2.179 7.981 ( -1.072 0.863 2.482) 2.838 8.007 ( 0.331 -2.002 0.906) 2.222 8.103 ( 2.366 0.974 -0.630) 2.635 8.112 ( 2.646 -0.422 -1.149) 2.915 8.504 ( 0.680 1.503 2.257) 2.795 8.527 ( 2.063 0.393 -1.391) 2.519 8.577 ( -1.039 -2.166 2.942) 3.798 8.614 ( 1.236 -4.402 -2.303) 5.119 9.472 ( -3.779 3.324 -0.016) 5.033 9.541 ( -0.985 -3.209 -0.741) 3.437 9.610 ( -1.549 2.481 -0.091) 2.926 9.666 ( 0.237 -2.857 -1.513) 3.241 10.687 ( 1.225 0.704 1.090) 1.784 10.705 ( 2.275 -1.194 0.129) 2.572 11.185 ( -2.928 2.011 -0.056) 3.552 11.213 ( -1.741 -0.977 -0.699) 2.116 11.477 ( -1.961 2.383 1.648) 3.498 11.523 ( -1.207 -2.066 -0.675) 2.486 11.550 ( 1.806 0.591 0.257) 1.917 11.579 ( 1.815 -2.049 0.987) 2.910 12.402 ( 1.476 1.471 -0.612) 2.172 12.421 ( 2.561 -0.432 1.630) 3.066 13.001 ( -2.674 1.571 -0.591) 3.157 13.028 ( -0.999 -1.249 0.747) 1.765 13.735 ( -1.886 2.478 -0.578) 3.167 13.800 ( 1.766 -4.437 -2.334) 5.315 14.461 ( -1.828 1.415 -1.166) 2.589 14.475 ( -1.026 -0.095 -1.436) 1.768 21.362 ( 1.471 0.571 1.072) 1.907 21.379 ( 2.333 -1.236 1.187) 2.894 21.663 ( 0.069 0.272 0.244) 0.371 21.676 ( 0.614 -1.108 0.708) 1.451 23.421 ( -3.819 4.795 -1.155) 6.238 23.508 ( -4.160 -4.339 -1.651) 6.233 23.575 ( 4.596 5.886 1.485) 7.614 23.672 ( 4.602 -4.392 2.211) 6.735 23.851 ( -1.533 0.641 -0.620) 1.774 23.861 ( -0.996 -0.408 -0.021) 1.076 24.095 ( -0.852 1.151 -1.465) 2.049 24.110 ( 0.015 -0.392 0.363) 0.535 24.716 ( -0.484 0.227 -0.770) 0.938 24.719 ( -0.356 -0.124 -0.989) 1.059 25.098 ( -1.739 0.613 1.222) 2.212 25.135 ( 0.211 -3.272 3.917) 5.108 25.885 ( -3.320 0.713 -0.098) 3.397 25.893 ( -3.104 -0.081 0.153) 3.109 26.498 ( 0.064 4.926 -2.067) 5.342 26.561 ( 3.386 -1.720 -2.694) 4.656 27.648 ( -1.237 1.017 -1.119) 1.953 27.657 ( -0.842 0.198 -0.385) 0.947 27.733 ( 0.321 0.583 0.292) 0.727 27.745 ( 0.818 -0.537 0.345) 1.038 29.608 ( -3.444 -0.179 0.863) 3.555 29.629 ( -2.282 -2.361 1.300) 3.532 30.253 ( 0.074 0.946 0.160) 0.963 30.286 ( 1.911 -2.591 -1.633) 3.610 47.773 ( -4.222 1.218 0.058) 4.395 47.793 ( -4.362 -0.883 0.321) 4.462 47.922 ( 4.426 1.361 -0.063) 4.631 47.945 ( 4.460 -1.076 -0.276) 4.596 88.920 ( -3.256 6.945 1.408) 7.798 89.034 ( 0.936 6.163 -2.765) 6.820 89.088 ( -2.446 -5.005 1.498) 5.768 89.287 ( 6.406 -14.827 -3.077) 16.442 90.464 ( 2.784 2.104 1.100) 3.659 90.478 ( 3.558 0.604 1.153) 3.788 91.468 ( -4.524 6.394 -0.805) 7.874 91.501 ( -2.901 2.974 -4.900) 6.424 ======================= Grid point 201 (111/116) ======================= q-point: ( 0.25 0.43 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -3.962 11.835 -0.392) 12.487 1.384 ( -8.285 9.121 -8.920) 15.212 1.427 ( -1.409 -5.542 -2.204) 6.128 1.585 ( -8.109 -9.667 -2.304) 12.827 1.756 ( -6.455 3.070 1.167) 7.243 1.844 ( -4.517 -5.065 -0.562) 6.810 2.122 ( -0.437 5.822 0.113) 5.840 2.205 ( -2.419 -2.072 1.172) 3.393 2.486 ( 1.890 7.437 -2.186) 7.979 2.549 ( 1.922 1.395 -10.186) 10.459 2.633 ( 2.047 0.926 1.585) 2.750 2.699 ( 3.791 -3.524 2.589) 5.787 2.800 ( -6.147 2.452 -0.571) 6.643 2.879 ( -1.895 -4.366 -3.679) 6.016 3.029 ( -1.649 2.524 3.459) 4.589 3.102 ( -2.513 -5.048 2.063) 6.005 3.284 ( -0.731 5.657 -1.792) 5.979 3.369 ( 1.781 -2.659 -1.583) 3.571 3.469 ( 3.332 -1.456 3.208) 4.849 3.482 ( 1.623 -3.008 3.023) 4.563 3.832 ( -0.026 1.383 1.223) 1.846 3.892 ( -1.282 -4.333 0.881) 4.604 4.140 ( 3.073 7.635 -2.607) 8.633 4.245 ( 3.500 -3.545 0.489) 5.006 4.460 ( 5.046 7.766 -0.530) 9.277 4.558 ( 2.711 -1.400 -1.927) 3.609 4.732 ( 5.046 3.509 0.184) 6.149 4.816 ( 5.177 -4.617 0.002) 6.937 5.568 ( -6.817 6.200 -1.945) 9.418 5.667 ( -6.624 -3.736 1.945) 7.850 5.769 ( 0.137 2.797 -5.718) 6.367 5.835 ( -0.785 -4.208 -3.727) 5.676 6.279 ( 6.365 3.107 2.108) 7.390 6.337 ( 5.238 -3.237 2.755) 6.746 6.729 ( 0.369 5.068 -1.056) 5.190 6.788 ( -0.811 -1.399 2.790) 3.225 7.536 ( 0.459 0.596 1.566) 1.737 7.596 ( 0.635 -4.024 2.908) 5.005 7.677 ( 0.146 -0.859 1.348) 1.605 7.704 ( 0.189 -3.128 2.641) 4.098 7.989 ( -1.353 2.135 2.594) 3.622 8.019 ( 0.222 -1.155 -0.028) 1.177 8.151 ( 2.738 0.125 0.674) 2.822 8.159 ( 3.021 -0.997 1.383) 3.468 8.541 ( 2.695 2.019 0.515) 3.406 8.566 ( 2.167 0.860 1.122) 2.588 8.607 ( 0.198 -3.092 4.689) 5.620 8.627 ( 1.243 -3.784 0.669) 4.039 9.407 ( -3.221 3.971 -0.797) 5.175 9.497 ( -2.896 -5.194 -0.797) 6.000 9.573 ( -1.427 2.718 -2.761) 4.129 9.624 ( -2.059 -2.659 -3.454) 4.820 10.737 ( 2.482 1.002 2.344) 3.558 10.759 ( 3.155 -1.262 1.135) 3.582 11.143 ( -2.549 1.496 1.123) 3.162 11.170 ( -2.785 -1.468 0.234) 3.157 11.466 ( -0.759 2.187 1.052) 2.543 11.502 ( -0.281 -1.250 -0.928) 1.582 11.571 ( -0.102 0.873 0.419) 0.973 11.605 ( 0.112 -2.364 0.356) 2.394 12.444 ( 3.782 3.174 0.371) 4.952 12.495 ( 3.925 -2.175 2.247) 5.018 12.947 ( -3.245 3.551 0.124) 4.812 13.010 ( -2.164 -3.093 1.145) 3.945 13.690 ( -1.490 4.741 -2.264) 5.461 13.789 ( 0.868 -5.727 -3.951) 7.012 14.390 ( -3.527 1.567 -3.929) 5.507 14.411 ( -3.142 -0.540 -4.507) 5.521 21.422 ( 3.369 1.067 2.465) 4.308 21.451 ( 3.642 -2.097 2.766) 5.031 21.674 ( 0.580 1.337 0.896) 1.711 21.700 ( 0.424 -1.470 2.140) 2.631 23.366 ( -1.835 3.716 -0.799) 4.221 23.433 ( -2.468 -3.226 -2.111) 4.578 23.659 ( 2.981 4.904 1.588) 5.955 23.730 ( 0.379 -2.507 -0.115) 2.538 23.826 ( -0.436 0.567 -0.388) 0.814 23.846 ( 1.058 -1.633 -0.210) 1.957 24.074 ( -0.953 2.252 0.164) 2.450 24.108 ( -1.206 -1.199 1.004) 1.975 24.697 ( -0.570 0.043 -1.052) 1.197 24.699 ( -0.705 -0.205 -1.064) 1.293 25.086 ( -2.241 3.213 1.911) 4.359 25.161 ( -2.365 -4.612 3.428) 6.214 25.832 ( -2.949 0.590 0.802) 3.112 25.846 ( -2.508 -0.994 1.129) 2.925 26.467 ( 0.198 6.475 -4.600) 7.945 26.565 ( 1.830 -3.801 -5.311) 6.783 27.613 ( -1.290 1.110 -1.379) 2.191 27.629 ( -1.301 -0.517 -1.164) 1.821 27.745 ( 0.482 0.977 0.523) 1.208 27.760 ( 0.537 -0.444 0.223) 0.731 29.554 ( -3.796 1.056 0.779) 4.016 29.589 ( -3.477 -2.663 0.659) 4.428 30.255 ( 0.102 1.642 -0.091) 1.648 30.298 ( 1.549 -2.922 -1.978) 3.853 47.714 ( -3.122 1.172 0.275) 3.346 47.733 ( -3.386 -0.734 0.307) 3.479 47.989 ( 3.529 1.190 0.273) 3.734 48.009 ( 3.469 -0.908 -0.112) 3.588 88.872 ( -3.213 4.955 -0.257) 5.911 88.958 ( -4.645 -2.452 -2.576) 5.850 89.130 ( 4.244 6.509 0.495) 7.787 89.347 ( 4.962 -14.898 -3.487) 16.086 90.548 ( 5.701 3.044 1.683) 6.678 90.572 ( 5.985 0.625 1.613) 6.230 91.355 ( -7.361 5.700 -1.778) 9.479 91.378 ( -6.383 3.310 -4.145) 8.300 ======================= Grid point 202 (112/116) ======================= q-point: ( 0.38 0.43 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -1.952 14.904 2.594) 15.253 1.301 ( 8.929 8.657 -0.898) 12.469 1.427 ( 1.766 -6.899 -1.370) 7.252 1.483 ( -0.607 -2.482 -1.032) 2.756 1.669 ( -6.598 -1.889 5.274) 8.655 1.756 ( -4.809 -8.041 0.055) 9.369 2.092 ( -3.314 4.130 -2.663) 5.927 2.133 ( -6.555 -0.250 -2.684) 7.088 2.368 ( -3.783 4.444 -14.783) 15.893 2.442 ( -2.626 -2.295 -15.089) 15.486 2.598 ( -4.153 8.971 3.557) 10.506 2.710 ( -4.432 0.143 0.005) 4.435 2.808 ( 2.928 -2.687 3.463) 5.272 2.845 ( -0.284 -4.713 1.610) 4.989 3.022 ( -1.670 0.489 0.486) 1.807 3.052 ( -3.867 -1.655 -0.313) 4.218 3.283 ( 1.874 5.699 -0.215) 6.003 3.382 ( 1.377 -3.419 -2.024) 4.205 3.554 ( 3.356 0.285 4.608) 5.708 3.575 ( 3.735 -1.689 5.157) 6.588 3.868 ( 1.336 1.475 2.889) 3.508 3.912 ( 0.254 -2.136 3.396) 4.020 4.140 ( 0.882 7.331 -4.197) 8.494 4.241 ( -2.149 -3.646 -4.784) 6.387 4.542 ( 5.267 5.654 2.218) 8.039 4.605 ( 5.851 -0.666 2.115) 6.257 4.820 ( 3.495 4.359 -0.995) 5.676 4.899 ( 3.005 -2.960 -0.078) 4.219 5.450 ( -3.932 4.328 -2.782) 6.476 5.558 ( -6.248 -6.444 -2.103) 9.218 5.730 ( 1.104 0.243 -3.710) 3.878 5.778 ( -2.339 -4.765 -2.342) 5.802 6.404 ( 5.340 3.891 3.096) 7.297 6.458 ( 5.664 -2.002 2.971) 6.701 6.723 ( -0.048 4.718 -1.217) 4.873 6.780 ( -2.852 -1.529 1.307) 3.489 7.574 ( 1.204 1.746 2.849) 3.551 7.631 ( 0.909 -1.716 1.520) 2.466 7.706 ( 0.863 -2.328 2.644) 3.627 7.737 ( 0.721 -3.917 2.200) 4.551 7.983 ( -1.619 2.161 1.539) 3.107 8.013 ( -0.518 -1.054 -0.693) 1.364 8.196 ( 1.782 -0.382 0.766) 1.977 8.214 ( 1.420 -2.109 1.444) 2.925 8.600 ( 2.752 2.089 1.052) 3.611 8.616 ( 1.347 2.832 4.041) 5.115 8.656 ( 2.259 -3.450 -0.013) 4.124 8.671 ( 1.271 -2.852 4.271) 5.291 9.362 ( -1.498 3.502 -0.462) 3.837 9.439 ( -3.011 -3.798 -1.277) 5.012 9.519 ( -0.980 0.157 -3.386) 3.529 9.549 ( -2.479 -2.431 -3.486) 4.920 10.797 ( 1.931 0.807 1.962) 2.869 10.816 ( 2.381 -1.073 0.687) 2.700 11.128 ( -0.965 0.415 1.401) 1.751 11.139 ( -1.541 -0.970 0.974) 2.065 11.473 ( -0.220 1.797 1.872) 2.604 11.498 ( 0.476 -0.517 -0.163) 0.722 11.556 ( -1.373 1.038 -0.344) 1.755 11.588 ( -1.135 -1.987 -1.439) 2.703 12.521 ( 4.097 3.636 1.412) 5.657 12.570 ( 1.923 -1.384 2.136) 3.190 12.918 ( -0.717 3.281 1.342) 3.616 12.985 ( -2.160 -3.730 1.158) 4.464 13.657 ( 0.088 5.007 -1.534) 5.238 13.757 ( 0.308 -5.586 -4.270) 7.037 14.283 ( -3.967 1.165 -4.805) 6.338 14.299 ( -3.890 -0.474 -5.803) 7.002 21.504 ( 3.283 1.390 2.432) 4.316 21.531 ( 2.438 -1.532 2.530) 3.833 21.699 ( 1.094 1.124 1.778) 2.372 21.728 ( 0.187 -1.780 2.357) 2.960 23.342 ( -0.444 2.461 -0.492) 2.549 23.385 ( -1.136 -1.960 -2.016) 3.033 23.689 ( 0.135 1.817 0.428) 1.871 23.712 ( -0.703 -0.667 -0.929) 1.342 23.837 ( 1.427 2.290 0.419) 2.730 23.880 ( 1.308 -2.210 0.540) 2.625 24.067 ( -0.188 2.137 0.552) 2.215 24.094 ( -1.231 -0.694 0.866) 1.657 24.680 ( -0.337 0.010 -0.668) 0.748 24.682 ( -0.349 -0.150 -0.589) 0.701 25.054 ( -3.272 3.349 1.299) 4.859 25.119 ( -4.654 -3.411 0.773) 5.822 25.820 ( -0.371 0.965 2.391) 2.605 25.848 ( 0.308 -2.080 2.407) 3.196 26.421 ( 0.118 5.640 -4.784) 7.397 26.518 ( -0.134 -4.490 -6.775) 8.129 27.585 ( -0.634 0.912 -0.968) 1.473 27.599 ( -0.851 -0.542 -1.180) 1.552 27.757 ( 0.260 0.820 0.482) 0.985 27.767 ( 0.203 -0.244 0.077) 0.327 29.509 ( -2.612 1.245 1.068) 3.085 29.539 ( -2.939 -1.944 0.298) 3.536 30.255 ( -0.103 1.834 0.018) 1.837 30.296 ( 0.805 -2.608 -2.270) 3.550 47.679 ( -1.561 0.948 0.312) 1.852 47.691 ( -1.917 -0.331 0.129) 1.949 48.038 ( 2.034 0.859 0.381) 2.241 48.052 ( 1.911 -0.609 -0.130) 2.010 88.818 ( -2.493 3.038 -0.850) 4.021 88.864 ( -3.288 -1.223 -2.903) 4.553 89.212 ( 4.137 4.973 1.793) 6.712 89.376 ( 2.627 -11.896 -3.664) 12.721 90.668 ( 5.913 3.541 2.417) 7.304 90.689 ( 5.410 1.312 2.368) 6.049 91.215 ( -5.919 5.027 -3.302) 8.439 91.231 ( -6.124 3.483 -4.121) 8.162 ======================= Grid point 203 (113/116) ======================= q-point: (-0.50 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 3.500 10.160 3.178) 11.206 1.357 ( -2.989 5.104 -3.863) 7.065 1.548 ( 6.894 1.080 1.596) 7.158 1.570 ( 6.899 1.212 2.932) 7.594 1.641 ( -1.397 -0.860 6.572) 6.774 1.746 ( -3.205 -2.366 4.559) 6.054 1.935 ( -2.227 -2.704 -4.563) 5.752 1.987 ( -7.864 -3.588 -3.109) 9.186 2.163 ( -3.204 3.887 -9.818) 11.035 2.234 ( -1.488 -2.770 -13.855) 14.208 2.608 ( -0.407 5.812 4.667) 7.465 2.659 ( -0.949 0.735 -0.693) 1.385 2.848 ( -0.538 1.285 4.295) 4.515 2.883 ( -2.011 -2.811 4.067) 5.337 2.990 ( -1.367 0.796 -1.008) 1.876 3.020 ( 1.744 -2.535 -1.709) 3.520 3.313 ( 0.577 2.379 1.187) 2.721 3.367 ( 0.367 -2.195 -3.336) 4.010 3.647 ( 2.360 1.045 2.837) 3.835 3.658 ( 1.212 -0.001 1.761) 2.138 3.929 ( 1.233 2.012 4.632) 5.199 3.959 ( 0.910 -0.343 4.439) 4.545 4.089 ( -0.485 4.249 -5.178) 6.716 4.126 ( -3.345 -0.077 -6.203) 7.048 4.661 ( 2.503 6.219 6.007) 9.002 4.765 ( 5.890 -4.095 6.202) 9.482 4.786 ( -2.493 6.387 -5.365) 8.705 4.871 ( -4.195 -1.734 -3.778) 5.906 5.399 ( -2.247 0.442 0.998) 2.498 5.467 ( 1.219 -6.396 -4.651) 8.001 5.717 ( -1.862 -1.859 -0.704) 2.724 5.745 ( 3.549 -4.467 -3.016) 6.454 6.498 ( 1.572 4.574 3.089) 5.739 6.537 ( 1.075 0.733 -0.464) 1.382 6.716 ( -1.749 0.503 0.979) 2.066 6.729 ( -0.887 -0.479 -0.215) 1.031 7.616 ( 0.356 2.485 2.445) 3.504 7.651 ( 0.959 0.514 -0.746) 1.319 7.744 ( 0.386 -3.679 2.124) 4.265 7.762 ( 0.598 -4.022 0.417) 4.087 7.978 ( -0.379 1.283 1.080) 1.719 8.000 ( 0.517 -0.910 -0.980) 1.434 8.222 ( 0.493 -1.385 0.703) 1.630 8.230 ( -0.250 -2.118 0.136) 2.137 8.643 ( -0.455 0.990 2.314) 2.558 8.649 ( -0.139 0.360 1.656) 1.700 8.711 ( 1.509 0.206 0.454) 1.589 8.717 ( 3.579 -0.419 -0.409) 3.627 9.354 ( 0.469 1.583 0.783) 1.827 9.381 ( -2.054 -0.807 -1.562) 2.704 9.486 ( -0.155 -2.424 -1.490) 2.850 9.490 ( -1.298 -2.363 -1.641) 3.156 10.831 ( 0.491 0.537 0.763) 1.055 10.846 ( 1.239 -1.033 -0.577) 1.714 11.132 ( 0.141 0.020 0.853) 0.865 11.140 ( 0.466 -0.731 0.465) 0.984 11.483 ( -2.034 1.115 3.055) 3.836 11.498 ( -2.347 -0.510 1.455) 2.808 11.543 ( 1.819 1.372 -1.111) 2.535 11.563 ( 1.269 -0.724 -2.772) 3.134 12.577 ( -1.079 2.994 1.845) 3.679 12.592 ( 0.914 1.613 0.597) 1.948 12.950 ( 2.249 -0.407 1.369) 2.664 12.965 ( -0.904 -1.918 -0.005) 2.121 13.663 ( 0.573 2.210 0.922) 2.462 13.713 ( -0.991 -3.136 -3.798) 5.024 14.192 ( -2.117 0.857 -2.142) 3.131 14.203 ( -1.366 -0.283 -3.176) 3.469 21.559 ( 0.405 1.081 1.430) 1.838 21.566 ( 0.467 0.473 0.753) 1.004 21.737 ( 0.394 -0.569 1.605) 1.748 21.748 ( 0.846 -1.583 0.560) 1.880 23.338 ( 0.150 1.056 0.119) 1.073 23.354 ( -0.622 -0.555 -1.418) 1.645 23.692 ( -0.371 0.392 0.580) 0.792 23.700 ( -0.296 -0.509 -0.221) 0.629 23.863 ( 0.647 1.421 0.990) 1.848 23.876 ( -1.505 -0.047 -0.236) 1.524 24.085 ( 1.333 1.369 -0.086) 1.913 24.093 ( 1.572 0.529 -0.693) 1.797 24.674 ( -0.084 0.132 -0.066) 0.170 24.676 ( -0.048 -0.084 -0.145) 0.174 25.032 ( -0.655 1.549 2.151) 2.731 25.059 ( -2.009 -1.247 -0.212) 2.374 25.855 ( 0.966 0.944 2.576) 2.908 25.876 ( 0.331 -1.242 0.928) 1.585 26.390 ( 0.106 2.188 -1.503) 2.657 26.441 ( -1.106 -3.044 -5.979) 6.799 27.575 ( 0.121 0.446 -0.330) 0.568 27.580 ( -0.193 -0.143 -0.853) 0.886 27.763 ( -0.100 0.532 0.463) 0.712 27.768 ( -0.013 -0.038 -0.063) 0.074 29.496 ( -0.593 0.489 1.617) 1.790 29.508 ( -1.187 -0.784 0.414) 1.482 30.255 ( -0.183 1.285 0.546) 1.408 30.284 ( 0.444 -1.785 -2.155) 2.833 47.671 ( 0.279 0.560 0.224) 0.664 47.675 ( -0.084 0.194 -0.110) 0.238 48.060 ( 0.242 0.434 0.268) 0.564 48.066 ( 0.073 -0.211 -0.313) 0.385 88.787 ( -0.655 1.757 0.205) 1.886 88.807 ( -0.645 -0.176 -1.752) 1.875 89.284 ( 1.671 0.505 2.579) 3.114 89.354 ( -0.691 -6.764 -4.149) 7.966 90.750 ( -0.850 2.894 3.184) 4.386 90.751 ( -2.424 2.700 3.027) 4.725 91.135 ( 1.390 4.770 -3.948) 6.346 91.149 ( 3.926 3.512 -5.263) 7.447 ======================= Grid point 204 (114/116) ======================= q-point: (-0.38 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -3.906 10.511 -3.057) 11.623 1.376 ( -3.917 11.378 -1.860) 12.177 1.425 ( -0.345 0.142 -1.977) 2.012 1.493 ( -8.049 -3.108 -4.406) 9.688 1.689 ( 1.354 -1.686 4.847) 5.308 1.791 ( -1.184 -8.439 -1.307) 8.621 2.014 ( 12.281 4.708 7.741) 15.262 2.095 ( 5.507 0.466 -1.236) 5.663 2.135 ( 4.301 -1.452 11.542) 12.403 2.178 ( 4.609 -1.182 -1.995) 5.160 2.638 ( 0.452 6.286 0.074) 6.303 2.694 ( 4.800 -0.044 2.075) 5.229 2.836 ( -4.918 0.634 0.154) 4.961 2.876 ( -1.774 -3.094 3.899) 5.284 2.990 ( 1.510 2.791 1.374) 3.458 3.051 ( 2.989 -3.293 -1.303) 4.634 3.296 ( -2.056 3.246 -0.839) 3.933 3.367 ( 1.929 -3.809 -1.192) 4.433 3.633 ( -2.976 1.759 -2.997) 4.575 3.657 ( -1.670 -0.856 -2.474) 3.106 3.944 ( -2.695 2.176 -3.269) 4.763 3.961 ( -1.487 1.073 0.941) 2.061 4.076 ( 1.194 2.647 -0.753) 3.000 4.118 ( 3.382 -1.004 5.403) 6.453 4.602 ( -8.006 6.157 -1.659) 10.235 4.670 ( -10.618 0.455 -2.876) 11.010 4.802 ( 0.891 1.087 -0.672) 1.558 4.866 ( -0.792 -4.523 3.033) 5.503 5.396 ( 1.682 4.898 1.940) 5.531 5.525 ( 7.317 -8.097 -0.141) 10.914 5.697 ( 0.616 2.098 -0.604) 2.268 5.791 ( 4.768 -7.018 -2.601) 8.874 6.456 ( -6.165 4.090 -1.662) 7.583 6.506 ( -3.918 -0.820 -1.868) 4.418 6.679 ( -1.967 6.290 2.691) 7.119 6.783 ( 3.097 -4.328 1.026) 5.420 7.618 ( -1.338 3.116 -0.499) 3.428 7.652 ( 0.787 0.845 -1.413) 1.825 7.747 ( -0.784 -3.064 -0.764) 3.254 7.765 ( 0.053 -5.956 -0.641) 5.990 7.990 ( 0.876 1.963 0.638) 2.242 8.021 ( 2.715 -1.122 -0.946) 3.086 8.209 ( -1.745 -0.888 -0.458) 2.011 8.229 ( -0.398 -2.824 -0.120) 2.854 8.617 ( -2.662 1.536 -0.405) 3.100 8.650 ( -2.574 -1.594 0.212) 3.035 8.705 ( 1.097 3.292 -3.470) 4.908 8.757 ( 2.444 -2.128 -3.395) 4.694 9.356 ( 0.160 2.246 0.004) 2.252 9.396 ( 2.599 -0.618 2.689) 3.791 9.470 ( -0.325 -1.860 0.861) 2.075 9.497 ( 1.194 -3.672 1.274) 4.066 10.827 ( -0.938 0.608 -0.734) 1.338 10.842 ( -0.133 -1.080 -2.105) 2.370 11.149 ( 1.410 0.004 -0.083) 1.413 11.156 ( 1.728 -0.638 -0.787) 2.004 11.464 ( -3.116 0.725 1.832) 3.687 11.471 ( -2.513 -0.133 2.903) 3.842 11.575 ( 2.664 0.590 -2.099) 3.443 11.581 ( 3.024 0.035 -0.518) 3.068 12.537 ( -4.268 4.879 0.345) 6.492 12.600 ( -1.226 -1.451 -0.396) 1.940 12.949 ( 0.425 2.006 -1.499) 2.540 13.002 ( 2.842 -3.277 -0.319) 4.350 13.652 ( -2.038 1.422 -1.071) 2.706 13.687 ( -0.393 -2.156 2.005) 2.970 14.196 ( 1.958 1.023 3.171) 3.865 14.209 ( 2.469 -0.290 2.062) 3.230 21.538 ( -2.469 1.770 -0.734) 3.126 21.567 ( -1.307 -1.046 -0.729) 1.826 21.728 ( -1.212 1.067 -0.720) 1.768 21.764 ( 0.504 -2.389 -0.967) 2.626 23.338 ( 0.040 1.082 -0.140) 1.092 23.354 ( 1.066 -0.548 0.798) 1.440 23.689 ( -0.864 -0.004 0.683) 1.102 23.690 ( -0.684 -0.164 0.606) 0.928 23.839 ( -2.141 2.458 0.212) 3.266 23.878 ( -0.988 -1.586 0.828) 2.044 24.096 ( 2.205 2.811 -2.176) 4.182 24.128 ( 3.523 -0.494 -2.350) 4.263 24.675 ( 0.112 0.110 0.144) 0.213 24.676 ( 0.193 -0.005 0.079) 0.209 25.060 ( 1.800 1.841 0.856) 2.714 25.092 ( 4.061 -1.507 3.118) 5.337 25.870 ( 0.041 0.325 -1.757) 1.787 25.880 ( 0.267 -0.693 -0.124) 0.753 26.369 ( -1.580 2.148 -0.116) 2.669 26.417 ( 0.933 -2.628 1.631) 3.231 27.576 ( 0.367 0.550 -0.099) 0.668 27.583 ( 0.871 -0.247 0.217) 0.931 27.761 ( -0.456 0.480 0.191) 0.689 27.766 ( -0.210 -0.015 0.005) 0.210 29.511 ( 0.787 0.244 0.898) 1.219 29.521 ( 1.387 -0.912 2.110) 2.684 30.259 ( -0.317 0.268 1.114) 1.188 30.272 ( 0.495 -1.048 -1.653) 2.019 47.686 ( 1.778 0.713 -0.342) 1.945 47.693 ( 2.149 0.048 0.008) 2.150 48.048 ( -1.782 0.242 -0.542) 1.878 48.050 ( -1.586 -0.033 0.003) 1.586 88.804 ( 1.810 1.498 1.015) 2.560 88.815 ( 2.405 0.478 0.958) 2.633 89.269 ( -4.212 -0.835 -3.385) 5.468 89.313 ( -1.568 -5.442 1.899) 5.973 90.675 ( -8.233 3.430 1.816) 9.102 90.693 ( -7.872 1.561 2.010) 8.274 91.203 ( 9.546 6.343 -2.790) 11.796 91.241 ( 11.677 2.643 -4.634) 12.838 ======================= Grid point 205 (115/116) ======================= q-point: (-0.25 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -0.995 11.051 4.446) 11.954 1.317 ( 2.367 15.770 -1.004) 15.978 1.380 ( 0.395 -5.800 -0.257) 5.819 1.550 ( 6.704 -5.155 2.517) 8.823 1.771 ( 1.498 -2.797 4.836) 5.784 1.786 ( 1.902 -6.068 -0.579) 6.386 2.143 ( 3.600 5.264 -0.520) 6.398 2.220 ( 6.698 -0.833 1.709) 6.963 2.274 ( 1.808 3.948 10.660) 11.511 2.336 ( 1.960 -0.806 9.342) 9.579 2.653 ( 0.283 6.967 1.271) 7.087 2.735 ( -6.456 0.549 -1.423) 6.634 2.800 ( 5.313 -0.587 0.847) 5.412 2.887 ( 1.829 -6.676 -1.564) 7.096 3.044 ( 0.954 2.516 2.517) 3.685 3.094 ( 2.922 -2.004 2.048) 4.093 3.270 ( 0.735 6.156 -1.270) 6.328 3.375 ( 0.909 -4.242 -2.695) 5.107 3.537 ( -3.639 -0.026 -3.556) 5.088 3.571 ( -3.322 -2.828 -4.889) 6.553 3.876 ( -1.561 2.223 -2.732) 3.852 3.930 ( -1.232 -1.949 -1.718) 2.875 4.084 ( -1.937 6.187 1.825) 6.735 4.203 ( -0.706 -5.453 4.440) 7.067 4.477 ( -5.279 5.253 -2.025) 7.718 4.517 ( -4.908 1.262 1.913) 5.417 4.754 ( -4.466 0.878 -1.910) 4.936 4.817 ( -5.911 -5.470 0.314) 8.060 5.504 ( 7.366 9.144 3.635) 12.292 5.650 ( 4.905 -4.384 2.616) 7.080 5.730 ( 4.908 1.677 -1.484) 5.395 5.836 ( 3.952 -7.075 -3.070) 8.666 6.320 ( -7.720 4.080 -1.909) 8.938 6.392 ( -6.292 -3.669 -2.576) 7.726 6.681 ( -1.981 9.333 3.328) 10.105 6.819 ( 0.866 -5.192 -0.264) 5.270 7.579 ( -1.405 3.244 -2.147) 4.136 7.647 ( 0.507 -0.645 -1.975) 2.139 7.716 ( -0.942 -2.867 -2.183) 3.724 7.751 ( -0.302 -6.332 -1.669) 6.555 8.011 ( 0.447 2.688 0.541) 2.778 8.049 ( 2.650 -0.834 -2.679) 3.860 8.165 ( -2.798 0.235 -0.872) 2.940 8.203 ( -1.593 -3.316 -1.914) 4.147 8.558 ( -3.204 1.575 -1.603) 3.913 8.589 ( -3.058 -0.973 -1.489) 3.538 8.679 ( 0.089 1.796 -4.128) 4.502 8.733 ( 0.768 -3.434 -6.087) 7.031 9.383 ( 2.137 4.083 1.436) 4.827 9.475 ( 3.362 -4.816 1.623) 6.093 9.495 ( 0.896 1.658 4.129) 4.538 9.546 ( 1.765 -3.495 3.554) 5.288 10.788 ( -2.054 0.522 -1.990) 2.908 10.800 ( -1.627 -0.801 -3.330) 3.792 11.174 ( 2.639 0.422 -1.523) 3.076 11.184 ( 2.818 -0.718 -0.904) 3.045 11.442 ( -2.133 1.549 2.595) 3.699 11.467 ( -1.312 -1.077 2.808) 3.281 11.594 ( 1.654 1.086 -1.763) 2.650 11.617 ( 1.750 -1.249 -0.723) 2.269 12.456 ( -4.874 5.081 -0.681) 7.074 12.541 ( -4.078 -3.794 -2.044) 5.934 12.960 ( 2.480 4.193 -1.076) 4.989 13.036 ( 2.195 -3.804 -1.198) 4.552 13.642 ( 0.615 3.155 1.988) 3.780 13.706 ( -0.555 -3.643 3.756) 5.262 14.293 ( 3.746 0.906 5.448) 6.673 14.302 ( 3.740 0.080 5.311) 6.496 21.474 ( -3.285 1.560 -2.376) 4.344 21.509 ( -3.539 -2.206 -2.562) 4.894 21.696 ( -1.316 2.480 -1.163) 3.039 21.745 ( -0.821 -2.587 -1.976) 3.357 23.352 ( 1.463 2.497 0.511) 2.939 23.394 ( 2.427 -1.746 1.560) 3.373 23.673 ( -1.985 2.095 0.252) 2.897 23.701 ( -0.089 -0.984 2.145) 2.362 23.813 ( -1.237 1.677 0.702) 2.199 23.849 ( -2.545 -2.083 -0.016) 3.289 24.108 ( 2.121 3.173 -3.030) 4.873 24.154 ( 3.005 -1.547 -3.413) 4.803 24.682 ( 0.587 0.153 0.376) 0.714 24.686 ( 0.758 -0.220 0.410) 0.890 25.103 ( 1.788 4.177 0.339) 4.556 25.188 ( 3.583 -4.778 1.058) 6.066 25.864 ( 1.981 0.416 -2.101) 2.918 25.877 ( 1.353 -1.032 -1.609) 2.342 26.375 ( 0.098 5.178 3.672) 6.349 26.458 ( -0.122 -3.342 4.535) 5.634 27.590 ( 1.007 1.098 0.731) 1.660 27.607 ( 1.391 -0.679 0.796) 1.740 27.753 ( -0.531 0.606 -0.131) 0.817 27.761 ( -0.517 -0.133 0.066) 0.538 29.547 ( 2.035 0.702 1.452) 2.596 29.575 ( 2.240 -2.375 2.219) 3.948 30.263 ( -0.648 -0.504 1.094) 1.368 30.267 ( 0.508 -0.894 -1.082) 1.493 47.724 ( 3.322 1.121 -0.576) 3.553 47.739 ( 3.625 -0.482 -0.268) 3.667 47.999 ( -3.399 0.660 -0.694) 3.531 48.010 ( -3.247 -0.460 -0.223) 3.287 88.860 ( 3.748 3.358 0.836) 5.101 88.897 ( 4.671 0.294 3.037) 5.579 89.160 ( -4.759 2.076 -2.461) 5.746 89.284 ( -4.502 -10.193 2.443) 11.408 90.557 ( -7.263 3.031 0.906) 7.922 90.578 ( -7.499 0.927 1.075) 7.632 91.343 ( 9.599 7.227 -1.743) 12.141 91.394 ( 12.031 2.298 -4.820) 13.163 ======================= Grid point 206 (116/116) ======================= q-point: (-0.12 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 6.583 10.526 3.571) 12.918 1.423 ( 6.891 8.130 8.822) 13.835 1.477 ( 7.567 0.904 2.767) 8.108 1.674 ( 5.214 -9.397 2.570) 11.050 1.804 ( -0.300 0.337 3.952) 3.977 1.829 ( -0.730 -2.942 3.705) 4.787 2.189 ( 3.828 4.658 -1.913) 6.325 2.286 ( 3.364 -4.519 -3.491) 6.628 2.390 ( -1.783 5.564 6.310) 8.600 2.415 ( 0.402 3.374 9.047) 9.664 2.605 ( -5.571 -0.587 -4.079) 6.930 2.632 ( -4.635 -2.091 1.211) 5.227 2.858 ( 0.098 2.558 0.684) 2.649 2.902 ( 0.915 -2.199 1.340) 2.733 3.084 ( 3.246 3.768 -0.410) 4.990 3.153 ( 3.174 -3.002 -0.397) 4.386 3.290 ( 0.979 4.281 -0.341) 4.405 3.352 ( 0.143 -2.578 -1.759) 3.124 3.455 ( -2.923 -2.857 -3.319) 5.265 3.483 ( -2.562 -4.308 -3.516) 6.122 3.857 ( 2.007 3.271 -0.541) 3.875 3.927 ( 2.722 -2.973 0.399) 4.051 4.048 ( -4.340 6.356 1.476) 7.836 4.172 ( -4.958 -5.779 0.637) 7.641 4.399 ( -3.033 5.711 -1.382) 6.613 4.482 ( -4.651 -2.639 1.057) 5.451 4.680 ( -1.278 3.355 0.202) 3.596 4.748 ( -1.828 -3.444 0.794) 3.979 5.665 ( 6.797 7.245 3.845) 10.652 5.715 ( 1.092 3.104 2.537) 4.155 5.811 ( 5.529 -1.685 -2.262) 6.207 5.857 ( 3.446 -4.247 -4.820) 7.290 6.193 ( -5.542 3.102 -0.532) 6.373 6.271 ( -5.766 -4.905 -1.629) 7.743 6.686 ( -1.503 8.366 3.988) 9.389 6.811 ( -0.766 -4.423 -1.175) 4.640 7.543 ( -0.638 2.139 -1.452) 2.663 7.623 ( -0.374 -3.872 -3.465) 5.209 7.688 ( -0.181 -0.938 -1.289) 1.605 7.727 ( -0.239 -4.651 -2.234) 5.166 8.001 ( -1.838 2.275 0.238) 2.935 8.051 ( 0.719 -2.115 -3.036) 3.770 8.112 ( -1.874 1.302 -1.358) 2.655 8.147 ( -1.438 -1.821 -3.703) 4.370 8.499 ( -2.256 1.581 -0.472) 2.795 8.540 ( -1.619 -2.134 -0.467) 2.719 8.631 ( -0.957 0.971 -3.893) 4.125 8.679 ( 0.255 -3.685 -6.074) 7.109 9.446 ( 3.082 4.098 2.284) 5.613 9.519 ( 1.014 -2.076 1.391) 2.697 9.574 ( 2.933 -0.444 3.315) 4.448 9.607 ( 0.698 -2.803 3.841) 4.806 10.729 ( -2.275 0.227 -2.267) 3.219 10.736 ( -1.690 -0.546 -3.441) 3.872 11.205 ( 2.916 1.129 -1.744) 3.581 11.221 ( 2.512 -0.650 -1.224) 2.869 11.445 ( -1.169 2.067 3.479) 4.212 11.484 ( -0.110 -1.982 2.997) 3.595 11.585 ( -0.375 1.158 -2.370) 2.664 11.614 ( -0.629 -1.711 -1.831) 2.584 12.390 ( -2.641 3.918 0.425) 4.744 12.455 ( -3.379 -2.997 -1.827) 4.873 12.997 ( 2.435 3.023 -0.196) 3.887 13.049 ( 0.875 -2.504 -1.257) 2.935 13.700 ( 2.818 1.287 2.809) 4.182 13.738 ( -0.045 -2.748 3.419) 4.387 14.400 ( 3.040 1.006 4.575) 5.584 14.408 ( 2.656 0.245 4.861) 5.545 21.400 ( -2.530 0.916 -2.433) 3.628 21.421 ( -3.446 -1.441 -2.691) 4.604 21.669 ( -0.831 1.749 -0.586) 2.023 21.708 ( -1.110 -2.327 -1.924) 3.217 23.397 ( 3.153 3.962 1.116) 5.185 23.465 ( 4.148 -2.908 2.085) 5.478 23.610 ( -4.726 4.912 -1.456) 6.970 23.696 ( -3.250 -4.018 0.289) 5.176 23.824 ( 0.441 0.263 1.511) 1.596 23.831 ( 0.527 -0.441 2.221) 2.325 24.107 ( 1.274 3.089 -2.581) 4.222 24.155 ( 1.421 -1.899 -3.759) 4.445 24.700 ( 0.945 0.308 0.586) 1.153 24.707 ( 1.197 -0.405 0.445) 1.339 25.111 ( -0.646 3.495 -0.060) 3.555 25.197 ( -1.593 -5.680 -1.838) 6.178 25.893 ( 3.083 0.889 -0.996) 3.359 25.905 ( 2.872 -0.357 -0.983) 3.056 26.433 ( 1.976 4.575 4.095) 6.450 26.493 ( -0.608 -1.636 3.807) 4.188 27.620 ( 1.336 1.438 1.352) 2.383 27.641 ( 1.489 -0.657 0.988) 1.904 27.742 ( -0.518 0.572 -0.396) 0.867 27.750 ( -0.734 -0.255 -0.102) 0.784 29.597 ( 1.815 0.249 1.838) 2.596 29.625 ( 1.159 -2.936 1.827) 3.647 30.259 ( -1.016 -0.505 0.959) 1.486 30.267 ( 0.854 -1.282 -1.199) 1.952 47.780 ( 4.261 1.412 -0.617) 4.531 47.802 ( 4.490 -0.900 -0.475) 4.604 47.928 ( -4.451 0.967 -0.612) 4.596 47.944 ( -4.390 -0.784 -0.222) 4.465 88.929 ( 3.447 6.643 0.585) 7.507 88.984 ( 0.944 5.791 1.880) 6.161 89.110 ( 2.360 -5.552 -0.620) 6.065 89.224 ( -5.694 -12.516 2.707) 14.014 90.470 ( -4.169 2.262 0.587) 4.779 90.485 ( -4.737 0.698 0.616) 4.828 91.460 ( 6.045 7.557 -1.116) 9.742 91.515 ( 8.553 2.078 -5.387) 10.319 =================== 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 3/42336 10.0 24.510 39.175 43.774 0.000 12.324 0.000 3/42336 20.0 7.081 11.676 11.517 0.000 3.934 0.000 3/42336 30.0 4.151 6.183 6.263 0.000 2.188 0.000 3/42336 40.0 2.975 4.160 4.316 0.000 1.508 0.000 3/42336 50.0 2.330 3.146 3.296 0.000 1.147 0.000 3/42336 60.0 1.917 2.537 2.662 0.000 0.921 0.000 3/42336 70.0 1.628 2.130 2.230 0.000 0.767 0.000 3/42336 80.0 1.414 1.837 1.917 0.000 0.655 0.000 3/42336 90.0 1.249 1.616 1.680 0.000 0.571 0.000 3/42336 100.0 1.119 1.443 1.496 0.000 0.505 0.000 3/42336 110.0 1.014 1.304 1.348 0.000 0.453 0.000 3/42336 120.0 0.927 1.190 1.228 0.000 0.411 0.000 3/42336 130.0 0.854 1.095 1.128 0.000 0.376 0.000 3/42336 140.0 0.793 1.014 1.044 0.000 0.346 0.000 3/42336 150.0 0.740 0.945 0.972 0.000 0.321 0.000 3/42336 160.0 0.694 0.885 0.910 0.000 0.300 0.000 3/42336 170.0 0.654 0.832 0.856 0.000 0.281 0.000 3/42336 180.0 0.618 0.786 0.808 0.000 0.264 0.000 3/42336 190.0 0.587 0.745 0.766 0.000 0.250 0.000 3/42336 200.0 0.559 0.708 0.728 0.000 0.237 0.000 3/42336 210.0 0.533 0.675 0.694 0.000 0.225 0.000 3/42336 220.0 0.510 0.645 0.663 0.000 0.214 0.000 3/42336 230.0 0.490 0.617 0.635 0.000 0.205 0.000 3/42336 240.0 0.471 0.592 0.610 0.000 0.196 0.000 3/42336 250.0 0.453 0.569 0.587 0.000 0.188 0.000 3/42336 260.0 0.437 0.548 0.565 0.000 0.181 0.000 3/42336 270.0 0.422 0.528 0.545 0.000 0.174 0.000 3/42336 280.0 0.408 0.510 0.527 0.000 0.168 0.000 3/42336 290.0 0.395 0.493 0.509 0.000 0.162 0.000 3/42336 300.0 0.383 0.477 0.493 0.000 0.156 0.000 3/42336 310.0 0.372 0.463 0.478 0.000 0.151 0.000 3/42336 320.0 0.362 0.449 0.464 0.000 0.146 0.000 3/42336 330.0 0.352 0.436 0.451 0.000 0.142 0.000 3/42336 340.0 0.342 0.424 0.439 0.000 0.138 0.000 3/42336 350.0 0.333 0.412 0.427 0.000 0.134 0.000 3/42336 360.0 0.325 0.401 0.416 0.000 0.130 0.000 3/42336 370.0 0.317 0.391 0.405 0.000 0.127 0.000 3/42336 380.0 0.310 0.381 0.395 0.000 0.123 0.000 3/42336 390.0 0.302 0.372 0.386 0.000 0.120 0.000 3/42336 400.0 0.296 0.363 0.377 0.000 0.117 0.000 3/42336 410.0 0.289 0.354 0.368 0.000 0.114 0.000 3/42336 420.0 0.283 0.346 0.360 0.000 0.111 0.000 3/42336 430.0 0.277 0.339 0.352 0.000 0.109 0.000 3/42336 440.0 0.271 0.331 0.344 0.000 0.106 0.000 3/42336 450.0 0.266 0.324 0.337 0.000 0.104 0.000 3/42336 460.0 0.260 0.317 0.330 0.000 0.102 0.000 3/42336 470.0 0.255 0.311 0.324 0.000 0.100 0.000 3/42336 480.0 0.251 0.305 0.317 0.000 0.098 0.000 3/42336 490.0 0.246 0.299 0.311 0.000 0.096 0.000 3/42336 500.0 0.241 0.293 0.305 0.000 0.094 0.000 3/42336 510.0 0.237 0.288 0.300 0.000 0.092 0.000 3/42336 520.0 0.233 0.282 0.294 0.000 0.090 0.000 3/42336 530.0 0.229 0.277 0.289 0.000 0.088 0.000 3/42336 540.0 0.225 0.272 0.284 0.000 0.087 0.000 3/42336 550.0 0.221 0.267 0.279 0.000 0.085 0.000 3/42336 560.0 0.218 0.263 0.274 0.000 0.084 0.000 3/42336 570.0 0.214 0.258 0.270 0.000 0.082 0.000 3/42336 580.0 0.211 0.254 0.265 0.000 0.081 0.000 3/42336 590.0 0.207 0.250 0.261 0.000 0.079 0.000 3/42336 600.0 0.204 0.246 0.257 0.000 0.078 0.000 3/42336 610.0 0.201 0.242 0.253 0.000 0.077 0.000 3/42336 620.0 0.198 0.238 0.249 0.000 0.076 0.000 3/42336 630.0 0.195 0.235 0.245 0.000 0.074 0.000 3/42336 640.0 0.192 0.231 0.241 0.000 0.073 0.000 3/42336 650.0 0.190 0.228 0.238 0.000 0.072 0.000 3/42336 660.0 0.187 0.224 0.234 0.000 0.071 0.000 3/42336 670.0 0.184 0.221 0.231 0.000 0.070 0.000 3/42336 680.0 0.182 0.218 0.228 0.000 0.069 0.000 3/42336 690.0 0.179 0.215 0.225 0.000 0.068 0.000 3/42336 700.0 0.177 0.212 0.221 0.000 0.067 0.000 3/42336 710.0 0.175 0.209 0.218 0.000 0.066 0.000 3/42336 720.0 0.173 0.206 0.216 0.000 0.065 0.000 3/42336 730.0 0.170 0.204 0.213 0.000 0.064 0.000 3/42336 740.0 0.168 0.201 0.210 0.000 0.063 0.000 3/42336 750.0 0.166 0.198 0.207 0.000 0.062 0.000 3/42336 760.0 0.164 0.196 0.205 0.000 0.062 0.000 3/42336 770.0 0.162 0.193 0.202 0.000 0.061 0.000 3/42336 780.0 0.160 0.191 0.200 0.000 0.060 0.000 3/42336 790.0 0.158 0.189 0.197 0.000 0.059 0.000 3/42336 800.0 0.156 0.186 0.195 0.000 0.059 0.000 3/42336 810.0 0.155 0.184 0.192 0.000 0.058 0.000 3/42336 820.0 0.153 0.182 0.190 0.000 0.057 0.000 3/42336 830.0 0.151 0.180 0.188 0.000 0.056 0.000 3/42336 840.0 0.149 0.178 0.186 0.000 0.056 0.000 3/42336 850.0 0.148 0.176 0.184 0.000 0.055 0.000 3/42336 860.0 0.146 0.174 0.182 0.000 0.054 0.000 3/42336 870.0 0.145 0.172 0.179 0.000 0.054 0.000 3/42336 880.0 0.143 0.170 0.178 0.000 0.053 0.000 3/42336 890.0 0.142 0.168 0.176 0.000 0.053 0.000 3/42336 900.0 0.140 0.166 0.174 0.000 0.052 0.000 3/42336 910.0 0.139 0.164 0.172 0.000 0.051 0.000 3/42336 920.0 0.137 0.163 0.170 0.000 0.051 0.000 3/42336 930.0 0.136 0.161 0.168 0.000 0.050 0.000 3/42336 940.0 0.134 0.159 0.166 0.000 0.050 0.000 3/42336 950.0 0.133 0.158 0.165 0.000 0.049 0.000 3/42336 960.0 0.132 0.156 0.163 0.000 0.049 0.000 3/42336 970.0 0.131 0.154 0.161 0.000 0.048 0.000 3/42336 980.0 0.129 0.153 0.160 0.000 0.048 0.000 3/42336 990.0 0.128 0.151 0.158 0.000 0.047 0.000 3/42336 1000.0 0.127 0.150 0.157 0.000 0.047 0.000 3/42336 Thermal conductivity related properties were written into "kappa-m877.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:32:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|