----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:44:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R32 (155) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.454779849654392 1.417267806999229 8.033713129999990 b -2.454779849654387 1.417267806999229 8.033713129999990 c 0.000000000000002 -2.834535613998463 8.033713129999990 Atomic positions (fractional): *1 B 0.73448824596870 0.73448824596870 0.73448824596870 10.811 2 B 0.26551175403130 0.26551175403130 0.26551175403130 10.811 *3 O 0.51611905541777 0.32353507802958 0.96397463370772 15.999 4 O 0.32353507802958 0.96397463370772 0.51611905541777 15.999 5 O 0.96397463370772 0.51611905541777 0.32353507802958 15.999 *6 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 7 O 0.48388094458223 0.03602536629228 0.67646492197042 15.999 8 O 0.03602536629228 0.67646492197042 0.48388094458223 15.999 9 O 0.67646492197042 0.48388094458224 0.03602536629228 15.999 *10 Al 0.56988623197006 0.56988623197006 0.56988623197006 26.982 11 Al 0.43011376802994 0.43011376802994 0.43011376802994 26.982 *12 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.909559699308779 0.000000000000000 0.000000000000000 b -2.454779849654389 4.251803420997692 0.000000000000000 c 0.000000000000000 0.000000000000000 24.101139389999997 Atomic positions (fractional): *1 B 0.66666666666667 0.33333333333333 0.06782157930204 10.811 > 1 2 B 0.00000000000000 0.00000000000000 0.26551175403130 10.811 > 2 3 B 0.33333333333333 0.66666666666667 0.40115491263537 10.811 > 1 4 B 0.66666666666667 0.33333333333333 0.59884508736463 10.811 > 2 5 B 0.00000000000000 0.00000000000000 0.73448824596870 10.811 > 1 6 B 0.33333333333333 0.66666666666667 0.93217842069796 10.811 > 2 *7 O 0.24824279969941 0.30390162201064 0.26787625571835 15.999 > 3 8 O 0.05565882231123 0.75175720030059 0.26787625571835 15.999 > 4 9 O 0.69609837798936 0.94434117768877 0.26787625571835 15.999 > 5 *10 O 0.33333333333333 0.66666666666667 0.16666666666667 15.999 > 6 11 O 0.41842386696726 0.38899215564456 0.06545707761498 15.999 > 7 12 O 0.97056828867730 0.58157613303274 0.06545707761498 15.999 > 8 13 O 0.61100784435544 0.02943171132270 0.06545707761498 15.999 > 9 14 O 0.91490946636608 0.63723495534397 0.60120958905169 15.999 > 3 15 O 0.72232548897789 0.08509053363392 0.60120958905169 15.999 > 4 16 O 0.36276504465603 0.27767451102210 0.60120958905169 15.999 > 5 17 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 6 18 O 0.08509053363392 0.72232548897789 0.39879041094831 15.999 > 7 19 O 0.63723495534397 0.91490946636608 0.39879041094831 15.999 > 8 20 O 0.27767451102210 0.36276504465603 0.39879041094831 15.999 > 9 21 O 0.58157613303274 0.97056828867730 0.93454292238502 15.999 > 3 22 O 0.38899215564456 0.41842386696726 0.93454292238502 15.999 > 4 23 O 0.02943171132270 0.61100784435544 0.93454292238502 15.999 > 5 24 O 0.66666666666667 0.33333333333333 0.83333333333333 15.999 > 6 25 O 0.75175720030059 0.05565882231123 0.73212374428164 15.999 > 7 26 O 0.30390162201064 0.24824279969941 0.73212374428164 15.999 > 8 27 O 0.94434117768877 0.69609837798936 0.73212374428164 15.999 > 9 *28 Al 0.33333333333333 0.66666666666667 0.23655289863673 26.982 > 10 29 Al 0.33333333333333 0.66666666666667 0.09678043469661 26.982 > 11 30 Al 0.00000000000000 0.00000000000000 0.56988623197006 26.982 > 10 31 Al 0.00000000000000 0.00000000000000 0.43011376802994 26.982 > 11 32 Al 0.66666666666667 0.33333333333333 0.90321956530339 26.982 > 10 33 Al 0.66666666666667 0.33333333333333 0.76344710136327 26.982 > 11 *34 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 12 35 Sr 0.66666666666667 0.33333333333333 0.33333333333333 87.620 > 12 36 Sr 0.33333333333333 0.66666666666667 0.66666666666667 87.620 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.819119398617557 0.000000000000000 0.000000000000000 b -4.909559699308778 8.503606841995383 0.000000000000000 c 0.000000000000000 0.000000000000000 24.101139389999997 Atomic positions (fractional): *1 B 0.33333333333333 0.16666666666667 0.06782157930204 10.811 > 1 2 B 0.83333333333333 0.16666666666667 0.06782157930204 10.811 > 1 3 B 0.33333333333333 0.66666666666667 0.06782157930204 10.811 > 1 4 B 0.83333333333333 0.66666666666667 0.06782157930204 10.811 > 1 5 B 0.00000000000000 0.00000000000000 0.26551175403130 10.811 > 2 6 B 0.50000000000000 0.00000000000000 0.26551175403130 10.811 > 2 7 B 0.00000000000000 0.50000000000000 0.26551175403130 10.811 > 2 8 B 0.50000000000000 0.50000000000000 0.26551175403130 10.811 > 2 9 B 0.16666666666667 0.33333333333333 0.40115491263537 10.811 > 1 10 B 0.66666666666667 0.33333333333333 0.40115491263537 10.811 > 1 11 B 0.16666666666667 0.83333333333333 0.40115491263537 10.811 > 1 12 B 0.66666666666667 0.83333333333333 0.40115491263537 10.811 > 1 13 B 0.33333333333333 0.16666666666667 0.59884508736463 10.811 > 2 14 B 0.83333333333333 0.16666666666667 0.59884508736463 10.811 > 2 15 B 0.33333333333333 0.66666666666667 0.59884508736463 10.811 > 2 16 B 0.83333333333333 0.66666666666667 0.59884508736463 10.811 > 2 17 B 0.00000000000000 0.00000000000000 0.73448824596870 10.811 > 1 18 B 0.50000000000000 0.00000000000000 0.73448824596870 10.811 > 1 19 B 0.00000000000000 0.50000000000000 0.73448824596870 10.811 > 1 20 B 0.50000000000000 0.50000000000000 0.73448824596870 10.811 > 1 21 B 0.16666666666667 0.33333333333333 0.93217842069796 10.811 > 2 22 B 0.66666666666667 0.33333333333333 0.93217842069796 10.811 > 2 23 B 0.16666666666667 0.83333333333333 0.93217842069796 10.811 > 2 24 B 0.66666666666667 0.83333333333333 0.93217842069796 10.811 > 2 *25 O 0.12412139984970 0.15195081100532 0.26787625571835 15.999 > 3 26 O 0.62412139984971 0.15195081100532 0.26787625571835 15.999 > 3 27 O 0.12412139984970 0.65195081100532 0.26787625571835 15.999 > 3 28 O 0.62412139984971 0.65195081100532 0.26787625571835 15.999 > 3 29 O 0.02782941115561 0.37587860015030 0.26787625571835 15.999 > 4 30 O 0.52782941115561 0.37587860015030 0.26787625571835 15.999 > 4 31 O 0.02782941115561 0.87587860015029 0.26787625571835 15.999 > 4 32 O 0.52782941115561 0.87587860015029 0.26787625571835 15.999 > 4 33 O 0.34804918899468 0.47217058884439 0.26787625571835 15.999 > 5 34 O 0.84804918899468 0.47217058884439 0.26787625571835 15.999 > 5 35 O 0.34804918899468 0.97217058884439 0.26787625571835 15.999 > 5 36 O 0.84804918899468 0.97217058884439 0.26787625571835 15.999 > 5 *37 O 0.16666666666667 0.33333333333333 0.16666666666667 15.999 > 6 38 O 0.66666666666667 0.33333333333333 0.16666666666667 15.999 > 6 39 O 0.16666666666667 0.83333333333333 0.16666666666667 15.999 > 6 40 O 0.66666666666667 0.83333333333333 0.16666666666667 15.999 > 6 41 O 0.20921193348363 0.19449607782228 0.06545707761498 15.999 > 7 42 O 0.70921193348363 0.19449607782228 0.06545707761498 15.999 > 7 43 O 0.20921193348363 0.69449607782228 0.06545707761498 15.999 > 7 44 O 0.70921193348363 0.69449607782228 0.06545707761498 15.999 > 7 45 O 0.48528414433865 0.29078806651637 0.06545707761498 15.999 > 8 46 O 0.98528414433865 0.29078806651637 0.06545707761498 15.999 > 8 47 O 0.48528414433865 0.79078806651637 0.06545707761498 15.999 > 8 48 O 0.98528414433865 0.79078806651637 0.06545707761498 15.999 > 8 49 O 0.30550392217772 0.01471585566135 0.06545707761498 15.999 > 9 50 O 0.80550392217772 0.01471585566135 0.06545707761498 15.999 > 9 51 O 0.30550392217772 0.51471585566135 0.06545707761498 15.999 > 9 52 O 0.80550392217772 0.51471585566135 0.06545707761498 15.999 > 9 53 O 0.45745473318304 0.31861747767199 0.60120958905169 15.999 > 3 54 O 0.95745473318304 0.31861747767199 0.60120958905169 15.999 > 3 55 O 0.45745473318304 0.81861747767199 0.60120958905169 15.999 > 3 56 O 0.95745473318304 0.81861747767199 0.60120958905169 15.999 > 3 57 O 0.36116274448895 0.04254526681696 0.60120958905169 15.999 > 4 58 O 0.86116274448895 0.04254526681696 0.60120958905169 15.999 > 4 59 O 0.36116274448895 0.54254526681696 0.60120958905169 15.999 > 4 60 O 0.86116274448895 0.54254526681696 0.60120958905169 15.999 > 4 61 O 0.18138252232801 0.13883725551105 0.60120958905169 15.999 > 5 62 O 0.68138252232801 0.13883725551105 0.60120958905169 15.999 > 5 63 O 0.18138252232801 0.63883725551105 0.60120958905169 15.999 > 5 64 O 0.68138252232801 0.63883725551105 0.60120958905169 15.999 > 5 65 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 6 66 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 6 67 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 6 68 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 6 69 O 0.04254526681696 0.36116274448895 0.39879041094831 15.999 > 7 70 O 0.54254526681696 0.36116274448895 0.39879041094831 15.999 > 7 71 O 0.04254526681696 0.86116274448895 0.39879041094831 15.999 > 7 72 O 0.54254526681696 0.86116274448895 0.39879041094831 15.999 > 7 73 O 0.31861747767199 0.45745473318304 0.39879041094831 15.999 > 8 74 O 0.81861747767199 0.45745473318304 0.39879041094831 15.999 > 8 75 O 0.31861747767199 0.95745473318304 0.39879041094831 15.999 > 8 76 O 0.81861747767199 0.95745473318304 0.39879041094831 15.999 > 8 77 O 0.13883725551105 0.18138252232801 0.39879041094831 15.999 > 9 78 O 0.63883725551105 0.18138252232801 0.39879041094831 15.999 > 9 79 O 0.13883725551105 0.68138252232801 0.39879041094831 15.999 > 9 80 O 0.63883725551105 0.68138252232801 0.39879041094831 15.999 > 9 81 O 0.29078806651637 0.48528414433865 0.93454292238502 15.999 > 3 82 O 0.79078806651637 0.48528414433865 0.93454292238502 15.999 > 3 83 O 0.29078806651637 0.98528414433865 0.93454292238502 15.999 > 3 84 O 0.79078806651637 0.98528414433865 0.93454292238502 15.999 > 3 85 O 0.19449607782228 0.20921193348363 0.93454292238502 15.999 > 4 86 O 0.69449607782228 0.20921193348363 0.93454292238502 15.999 > 4 87 O 0.19449607782228 0.70921193348363 0.93454292238502 15.999 > 4 88 O 0.69449607782228 0.70921193348363 0.93454292238502 15.999 > 4 89 O 0.01471585566135 0.30550392217772 0.93454292238502 15.999 > 5 90 O 0.51471585566135 0.30550392217772 0.93454292238502 15.999 > 5 91 O 0.01471585566135 0.80550392217772 0.93454292238502 15.999 > 5 92 O 0.51471585566135 0.80550392217772 0.93454292238502 15.999 > 5 93 O 0.33333333333333 0.16666666666667 0.83333333333333 15.999 > 6 94 O 0.83333333333333 0.16666666666667 0.83333333333333 15.999 > 6 95 O 0.33333333333333 0.66666666666667 0.83333333333333 15.999 > 6 96 O 0.83333333333333 0.66666666666667 0.83333333333333 15.999 > 6 97 O 0.37587860015030 0.02782941115561 0.73212374428164 15.999 > 7 98 O 0.87587860015029 0.02782941115561 0.73212374428164 15.999 > 7 99 O 0.37587860015030 0.52782941115561 0.73212374428164 15.999 > 7 100 O 0.87587860015029 0.52782941115561 0.73212374428164 15.999 > 7 101 O 0.15195081100532 0.12412139984970 0.73212374428164 15.999 > 8 102 O 0.65195081100532 0.12412139984970 0.73212374428164 15.999 > 8 103 O 0.15195081100532 0.62412139984971 0.73212374428164 15.999 > 8 104 O 0.65195081100532 0.62412139984971 0.73212374428164 15.999 > 8 105 O 0.47217058884439 0.34804918899468 0.73212374428164 15.999 > 9 106 O 0.97217058884439 0.34804918899468 0.73212374428164 15.999 > 9 107 O 0.47217058884439 0.84804918899468 0.73212374428164 15.999 > 9 108 O 0.97217058884439 0.84804918899468 0.73212374428164 15.999 > 9 *109 Al 0.16666666666667 0.33333333333333 0.23655289863673 26.982 > 10 110 Al 0.66666666666667 0.33333333333333 0.23655289863673 26.982 > 10 111 Al 0.16666666666667 0.83333333333333 0.23655289863673 26.982 > 10 112 Al 0.66666666666667 0.83333333333333 0.23655289863673 26.982 > 10 113 Al 0.16666666666667 0.33333333333333 0.09678043469661 26.982 > 11 114 Al 0.66666666666667 0.33333333333333 0.09678043469661 26.982 > 11 115 Al 0.16666666666667 0.83333333333333 0.09678043469661 26.982 > 11 116 Al 0.66666666666667 0.83333333333333 0.09678043469661 26.982 > 11 117 Al 0.00000000000000 0.00000000000000 0.56988623197006 26.982 > 10 118 Al 0.50000000000000 0.00000000000000 0.56988623197006 26.982 > 10 119 Al 0.00000000000000 0.50000000000000 0.56988623197006 26.982 > 10 120 Al 0.50000000000000 0.50000000000000 0.56988623197006 26.982 > 10 121 Al 0.00000000000000 0.00000000000000 0.43011376802994 26.982 > 11 122 Al 0.50000000000000 0.00000000000000 0.43011376802994 26.982 > 11 123 Al 0.00000000000000 0.50000000000000 0.43011376802994 26.982 > 11 124 Al 0.50000000000000 0.50000000000000 0.43011376802994 26.982 > 11 125 Al 0.33333333333333 0.16666666666667 0.90321956530339 26.982 > 10 126 Al 0.83333333333333 0.16666666666667 0.90321956530339 26.982 > 10 127 Al 0.33333333333333 0.66666666666667 0.90321956530339 26.982 > 10 128 Al 0.83333333333333 0.66666666666667 0.90321956530339 26.982 > 10 129 Al 0.33333333333333 0.16666666666667 0.76344710136327 26.982 > 11 130 Al 0.83333333333333 0.16666666666667 0.76344710136327 26.982 > 11 131 Al 0.33333333333333 0.66666666666667 0.76344710136327 26.982 > 11 132 Al 0.83333333333333 0.66666666666667 0.76344710136327 26.982 > 11 *133 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 12 134 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 > 12 135 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 12 136 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 12 137 Sr 0.33333333333333 0.16666666666667 0.33333333333333 87.620 > 12 138 Sr 0.83333333333333 0.16666666666667 0.33333333333333 87.620 > 12 139 Sr 0.33333333333333 0.66666666666667 0.33333333333333 87.620 > 12 140 Sr 0.83333333333333 0.66666666666667 0.33333333333333 87.620 > 12 141 Sr 0.16666666666667 0.33333333333333 0.66666666666667 87.620 > 12 142 Sr 0.66666666666667 0.33333333333333 0.66666666666667 87.620 > 12 143 Sr 0.16666666666667 0.83333333333333 0.66666666666667 87.620 > 12 144 Sr 0.66666666666667 0.83333333333333 0.66666666666667 87.620 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5737502 0.0000000 0.0000000 0.0000000 2.5737502 0.0000000 0.0000000 0.0000000 2.3301104 -------------------------- Born effective charges -------------------------- 1 B 2.7993888 0.0963068 -0.0000000 -0.0963068 2.7993888 -0.0000000 0.0000000 0.0000000 0.5262625 2 B 2.7993888 -0.0963068 -0.0000000 0.0963068 2.7993888 -0.0000000 0.0000000 0.0000000 0.5262625 3 O -1.4532604 -0.2241660 -0.2155023 -0.2163241 -2.5565437 0.1164823 -0.1930241 0.1758720 -1.0633533 4 O -2.0899851 0.5839373 0.2086277 0.5917792 -1.9198190 0.1283893 0.2488216 0.0792278 -1.0633533 5 O -2.4714607 -0.3715341 0.0068745 -0.3636922 -1.5383434 -0.2448716 -0.0557976 -0.2550997 -1.0633533 6 O -1.1807372 -0.0000000 -0.0000000 0.0000000 -1.1807372 -0.0000000 0.0000000 0.0000000 -2.6919743 7 O -2.4714607 0.3715341 -0.0068745 0.3636922 -1.5383434 -0.2448716 0.0557976 -0.2550997 -1.0633533 8 O -2.0899851 -0.5839373 -0.2086277 -0.5917792 -1.9198190 0.1283893 -0.2488216 0.0792278 -1.0633533 9 O -1.4532604 0.2241660 0.2155023 0.2163241 -2.5565437 0.1164823 0.1930241 0.1758720 -1.0633533 10 Al 2.5993185 0.1510966 -0.0000000 -0.1510966 2.5993185 -0.0000000 0.0000000 0.0000000 2.8695017 11 Al 2.5993185 -0.1510966 -0.0000000 0.1510966 2.5993185 -0.0000000 0.0000000 0.0000000 2.8695017 12 Sr 2.4127349 0.0000000 -0.0000000 0.0000000 2.4127349 -0.0000000 0.0000000 0.0000000 2.2805660 ---------------------------------------------------------------------------- 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: 10008/10008 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1364 Number of blocks in projector: 754 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 637 Use submatrix version of eigh solver. (1) Block: 500 / 637 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 637 / 637 (1) 129 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 540 Use submatrix version of eigh solver. (1) Block: 540 / 540 (2) Block: 250 / 540 (2) 246 eigenvectors found. (2) Block: 540 / 540 (2) 286 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 187 Use standard eigh solver. Tree of FC basis block matrices: - (1364, 1345), data: False |-- (187, 182), data: True |-- (540, 536), data: False |-- (540, 536), data: False |-- (540, 4), data: (540, 8) @ (8, 4) |-- (290, 286), data: True |-- (250, 246), data: True |-- (637, 627), data: False |-- (637, 8), data: (637, 18) @ (18, 8) |-- (137, 129), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.016 Solver_block: 100 / 240 - Time: 2.220 Solver_block: 200 / 240 - Time: 2.271 Solver_block: 240 / 240 - Time: 0.973 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.507 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 10008/10008 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1364 Number of blocks in projector: 754 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 637 Use submatrix version of eigh solver. (1) Block: 500 / 637 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 637 / 637 (1) 129 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 540 Use submatrix version of eigh solver. (1) Block: 540 / 540 (2) Block: 250 / 540 (2) 246 eigenvectors found. (2) Block: 540 / 540 (2) 286 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 187 Use standard eigh solver. Tree of FC basis block matrices: - (1364, 1345), data: False |-- (187, 182), data: True |-- (540, 536), data: False |-- (540, 536), data: False |-- (540, 4), data: (540, 8) @ (8, 4) |-- (290, 286), data: True |-- (250, 246), data: True |-- (637, 627), data: False |-- (637, 8), data: (637, 18) @ (18, 8) |-- (137, 129), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 01:45:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:45:08]------------------------- 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: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R32 (155) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.454779849654392 1.417267806999229 8.033713129999990 b -2.454779849654387 1.417267806999229 8.033713129999990 c 0.000000000000002 -2.834535613998463 8.033713129999990 Atomic positions (fractional): 1 B 0.73448824596870 0.73448824596870 0.73448824596870 10.811 2 B 0.26551175403130 0.26551175403130 0.26551175403130 10.811 3 O 0.51611905541777 0.32353507802958 0.96397463370772 15.999 4 O 0.32353507802958 0.96397463370772 0.51611905541777 15.999 5 O 0.96397463370772 0.51611905541777 0.32353507802958 15.999 6 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 7 O 0.48388094458223 0.03602536629228 0.67646492197042 15.999 8 O 0.03602536629228 0.67646492197042 0.48388094458223 15.999 9 O 0.67646492197042 0.48388094458224 0.03602536629228 15.999 10 Al 0.56988623197006 0.56988623197006 0.56988623197006 26.982 11 Al 0.43011376802994 0.43011376802994 0.43011376802994 26.982 12 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.819119398617557 0.000000000000000 0.000000000000000 b -4.909559699308778 8.503606841995383 0.000000000000000 c 0.000000000000000 0.000000000000000 24.101139389999997 Atomic positions (fractional): 1 B 0.33333333333333 0.16666666666667 0.06782157930204 10.811 > 1 2 B 0.83333333333333 0.16666666666667 0.06782157930204 10.811 > 1 3 B 0.33333333333333 0.66666666666667 0.06782157930204 10.811 > 1 4 B 0.83333333333333 0.66666666666667 0.06782157930204 10.811 > 1 5 B 0.00000000000000 0.00000000000000 0.26551175403130 10.811 > 5 6 B 0.50000000000000 0.00000000000000 0.26551175403130 10.811 > 5 7 B 0.00000000000000 0.50000000000000 0.26551175403130 10.811 > 5 8 B 0.50000000000000 0.50000000000000 0.26551175403130 10.811 > 5 9 B 0.16666666666667 0.33333333333333 0.40115491263537 10.811 > 1 10 B 0.66666666666667 0.33333333333333 0.40115491263537 10.811 > 1 11 B 0.16666666666667 0.83333333333333 0.40115491263537 10.811 > 1 12 B 0.66666666666667 0.83333333333333 0.40115491263537 10.811 > 1 13 B 0.33333333333333 0.16666666666667 0.59884508736463 10.811 > 5 14 B 0.83333333333333 0.16666666666667 0.59884508736463 10.811 > 5 15 B 0.33333333333333 0.66666666666667 0.59884508736463 10.811 > 5 16 B 0.83333333333333 0.66666666666667 0.59884508736463 10.811 > 5 17 B 0.00000000000000 0.00000000000000 0.73448824596870 10.811 > 1 18 B 0.50000000000000 0.00000000000000 0.73448824596870 10.811 > 1 19 B 0.00000000000000 0.50000000000000 0.73448824596870 10.811 > 1 20 B 0.50000000000000 0.50000000000000 0.73448824596870 10.811 > 1 21 B 0.16666666666667 0.33333333333333 0.93217842069796 10.811 > 5 22 B 0.66666666666667 0.33333333333333 0.93217842069796 10.811 > 5 23 B 0.16666666666667 0.83333333333333 0.93217842069796 10.811 > 5 24 B 0.66666666666667 0.83333333333333 0.93217842069796 10.811 > 5 25 O 0.12412139984970 0.15195081100532 0.26787625571835 15.999 > 25 26 O 0.62412139984971 0.15195081100532 0.26787625571835 15.999 > 25 27 O 0.12412139984970 0.65195081100532 0.26787625571835 15.999 > 25 28 O 0.62412139984971 0.65195081100532 0.26787625571835 15.999 > 25 29 O 0.02782941115561 0.37587860015030 0.26787625571835 15.999 > 29 30 O 0.52782941115561 0.37587860015030 0.26787625571835 15.999 > 29 31 O 0.02782941115561 0.87587860015029 0.26787625571835 15.999 > 29 32 O 0.52782941115561 0.87587860015029 0.26787625571835 15.999 > 29 33 O 0.34804918899468 0.47217058884439 0.26787625571835 15.999 > 33 34 O 0.84804918899468 0.47217058884439 0.26787625571835 15.999 > 33 35 O 0.34804918899468 0.97217058884439 0.26787625571835 15.999 > 33 36 O 0.84804918899468 0.97217058884439 0.26787625571835 15.999 > 33 37 O 0.16666666666667 0.33333333333333 0.16666666666667 15.999 > 37 38 O 0.66666666666667 0.33333333333333 0.16666666666667 15.999 > 37 39 O 0.16666666666667 0.83333333333333 0.16666666666667 15.999 > 37 40 O 0.66666666666667 0.83333333333333 0.16666666666667 15.999 > 37 41 O 0.20921193348363 0.19449607782228 0.06545707761498 15.999 > 41 42 O 0.70921193348363 0.19449607782228 0.06545707761498 15.999 > 41 43 O 0.20921193348363 0.69449607782228 0.06545707761498 15.999 > 41 44 O 0.70921193348363 0.69449607782228 0.06545707761498 15.999 > 41 45 O 0.48528414433865 0.29078806651637 0.06545707761498 15.999 > 45 46 O 0.98528414433865 0.29078806651637 0.06545707761498 15.999 > 45 47 O 0.48528414433865 0.79078806651637 0.06545707761498 15.999 > 45 48 O 0.98528414433865 0.79078806651637 0.06545707761498 15.999 > 45 49 O 0.30550392217772 0.01471585566135 0.06545707761498 15.999 > 49 50 O 0.80550392217772 0.01471585566135 0.06545707761498 15.999 > 49 51 O 0.30550392217772 0.51471585566135 0.06545707761498 15.999 > 49 52 O 0.80550392217772 0.51471585566135 0.06545707761498 15.999 > 49 53 O 0.45745473318304 0.31861747767199 0.60120958905169 15.999 > 25 54 O 0.95745473318304 0.31861747767199 0.60120958905169 15.999 > 25 55 O 0.45745473318304 0.81861747767199 0.60120958905169 15.999 > 25 56 O 0.95745473318304 0.81861747767199 0.60120958905169 15.999 > 25 57 O 0.36116274448895 0.04254526681696 0.60120958905169 15.999 > 29 58 O 0.86116274448895 0.04254526681696 0.60120958905169 15.999 > 29 59 O 0.36116274448895 0.54254526681696 0.60120958905169 15.999 > 29 60 O 0.86116274448895 0.54254526681696 0.60120958905169 15.999 > 29 61 O 0.18138252232801 0.13883725551105 0.60120958905169 15.999 > 33 62 O 0.68138252232801 0.13883725551105 0.60120958905169 15.999 > 33 63 O 0.18138252232801 0.63883725551105 0.60120958905169 15.999 > 33 64 O 0.68138252232801 0.63883725551105 0.60120958905169 15.999 > 33 65 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 37 66 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 37 67 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 37 68 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 37 69 O 0.04254526681696 0.36116274448895 0.39879041094831 15.999 > 41 70 O 0.54254526681696 0.36116274448895 0.39879041094831 15.999 > 41 71 O 0.04254526681696 0.86116274448895 0.39879041094831 15.999 > 41 72 O 0.54254526681696 0.86116274448895 0.39879041094831 15.999 > 41 73 O 0.31861747767199 0.45745473318304 0.39879041094831 15.999 > 45 74 O 0.81861747767199 0.45745473318304 0.39879041094831 15.999 > 45 75 O 0.31861747767199 0.95745473318304 0.39879041094831 15.999 > 45 76 O 0.81861747767199 0.95745473318304 0.39879041094831 15.999 > 45 77 O 0.13883725551105 0.18138252232801 0.39879041094831 15.999 > 49 78 O 0.63883725551105 0.18138252232801 0.39879041094831 15.999 > 49 79 O 0.13883725551105 0.68138252232801 0.39879041094831 15.999 > 49 80 O 0.63883725551105 0.68138252232801 0.39879041094831 15.999 > 49 81 O 0.29078806651637 0.48528414433865 0.93454292238502 15.999 > 25 82 O 0.79078806651637 0.48528414433865 0.93454292238502 15.999 > 25 83 O 0.29078806651637 0.98528414433865 0.93454292238502 15.999 > 25 84 O 0.79078806651637 0.98528414433865 0.93454292238502 15.999 > 25 85 O 0.19449607782228 0.20921193348363 0.93454292238502 15.999 > 29 86 O 0.69449607782228 0.20921193348363 0.93454292238502 15.999 > 29 87 O 0.19449607782228 0.70921193348363 0.93454292238502 15.999 > 29 88 O 0.69449607782228 0.70921193348363 0.93454292238502 15.999 > 29 89 O 0.01471585566135 0.30550392217772 0.93454292238502 15.999 > 33 90 O 0.51471585566135 0.30550392217772 0.93454292238502 15.999 > 33 91 O 0.01471585566135 0.80550392217772 0.93454292238502 15.999 > 33 92 O 0.51471585566135 0.80550392217772 0.93454292238502 15.999 > 33 93 O 0.33333333333333 0.16666666666667 0.83333333333333 15.999 > 37 94 O 0.83333333333333 0.16666666666667 0.83333333333333 15.999 > 37 95 O 0.33333333333333 0.66666666666667 0.83333333333333 15.999 > 37 96 O 0.83333333333333 0.66666666666667 0.83333333333333 15.999 > 37 97 O 0.37587860015030 0.02782941115561 0.73212374428164 15.999 > 41 98 O 0.87587860015029 0.02782941115561 0.73212374428164 15.999 > 41 99 O 0.37587860015030 0.52782941115561 0.73212374428164 15.999 > 41 100 O 0.87587860015029 0.52782941115561 0.73212374428164 15.999 > 41 101 O 0.15195081100532 0.12412139984970 0.73212374428164 15.999 > 45 102 O 0.65195081100532 0.12412139984970 0.73212374428164 15.999 > 45 103 O 0.15195081100532 0.62412139984971 0.73212374428164 15.999 > 45 104 O 0.65195081100532 0.62412139984971 0.73212374428164 15.999 > 45 105 O 0.47217058884439 0.34804918899468 0.73212374428164 15.999 > 49 106 O 0.97217058884439 0.34804918899468 0.73212374428164 15.999 > 49 107 O 0.47217058884439 0.84804918899468 0.73212374428164 15.999 > 49 108 O 0.97217058884439 0.84804918899468 0.73212374428164 15.999 > 49 109 Al 0.16666666666667 0.33333333333333 0.23655289863673 26.982 > 109 110 Al 0.66666666666667 0.33333333333333 0.23655289863673 26.982 > 109 111 Al 0.16666666666667 0.83333333333333 0.23655289863673 26.982 > 109 112 Al 0.66666666666667 0.83333333333333 0.23655289863673 26.982 > 109 113 Al 0.16666666666667 0.33333333333333 0.09678043469661 26.982 > 113 114 Al 0.66666666666667 0.33333333333333 0.09678043469661 26.982 > 113 115 Al 0.16666666666667 0.83333333333333 0.09678043469661 26.982 > 113 116 Al 0.66666666666667 0.83333333333333 0.09678043469661 26.982 > 113 117 Al 0.00000000000000 0.00000000000000 0.56988623197006 26.982 > 109 118 Al 0.50000000000000 0.00000000000000 0.56988623197006 26.982 > 109 119 Al 0.00000000000000 0.50000000000000 0.56988623197006 26.982 > 109 120 Al 0.50000000000000 0.50000000000000 0.56988623197006 26.982 > 109 121 Al 0.00000000000000 0.00000000000000 0.43011376802994 26.982 > 113 122 Al 0.50000000000000 0.00000000000000 0.43011376802994 26.982 > 113 123 Al 0.00000000000000 0.50000000000000 0.43011376802994 26.982 > 113 124 Al 0.50000000000000 0.50000000000000 0.43011376802994 26.982 > 113 125 Al 0.33333333333333 0.16666666666667 0.90321956530339 26.982 > 109 126 Al 0.83333333333333 0.16666666666667 0.90321956530339 26.982 > 109 127 Al 0.33333333333333 0.66666666666667 0.90321956530339 26.982 > 109 128 Al 0.83333333333333 0.66666666666667 0.90321956530339 26.982 > 109 129 Al 0.33333333333333 0.16666666666667 0.76344710136327 26.982 > 113 130 Al 0.83333333333333 0.16666666666667 0.76344710136327 26.982 > 113 131 Al 0.33333333333333 0.66666666666667 0.76344710136327 26.982 > 113 132 Al 0.83333333333333 0.66666666666667 0.76344710136327 26.982 > 113 133 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 133 134 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 > 133 135 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 133 136 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 133 137 Sr 0.33333333333333 0.16666666666667 0.33333333333333 87.620 > 133 138 Sr 0.83333333333333 0.16666666666667 0.33333333333333 87.620 > 133 139 Sr 0.33333333333333 0.66666666666667 0.33333333333333 87.620 > 133 140 Sr 0.83333333333333 0.66666666666667 0.33333333333333 87.620 > 133 141 Sr 0.16666666666667 0.33333333333333 0.66666666666667 87.620 > 133 142 Sr 0.66666666666667 0.33333333333333 0.66666666666667 87.620 > 133 143 Sr 0.16666666666667 0.83333333333333 0.66666666666667 87.620 > 133 144 Sr 0.66666666666667 0.83333333333333 0.66666666666667 87.620 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5737502 0.0000000 0.0000000 0.0000000 2.5737502 0.0000000 0.0000000 0.0000000 2.3301104 -------------------------- Born effective charges -------------------------- 1 B 2.7993888 0.0963068 -0.0000000 -0.0963068 2.7993888 -0.0000000 0.0000000 0.0000000 0.5262625 2 B 2.7993888 -0.0963068 -0.0000000 0.0963068 2.7993888 -0.0000000 0.0000000 0.0000000 0.5262625 3 O -1.4532604 -0.2241660 -0.2155023 -0.2163241 -2.5565437 0.1164823 -0.1930241 0.1758720 -1.0633533 4 O -2.0899851 0.5839373 0.2086277 0.5917792 -1.9198190 0.1283893 0.2488216 0.0792278 -1.0633533 5 O -2.4714607 -0.3715341 0.0068745 -0.3636922 -1.5383434 -0.2448716 -0.0557976 -0.2550997 -1.0633533 6 O -1.1807372 -0.0000000 -0.0000000 0.0000000 -1.1807372 -0.0000000 0.0000000 0.0000000 -2.6919743 7 O -2.4714607 0.3715341 -0.0068745 0.3636922 -1.5383434 -0.2448716 0.0557976 -0.2550997 -1.0633533 8 O -2.0899851 -0.5839373 -0.2086277 -0.5917792 -1.9198190 0.1283893 -0.2488216 0.0792278 -1.0633533 9 O -1.4532604 0.2241660 0.2155023 0.2163241 -2.5565437 0.1164823 0.1930241 0.1758720 -1.0633533 10 Al 2.5993185 0.1510966 -0.0000000 -0.1510966 2.5993185 -0.0000000 0.0000000 0.0000000 2.8695017 11 Al 2.5993185 -0.1510966 -0.0000000 0.1510966 2.5993185 -0.0000000 0.0000000 0.0000000 2.8695017 12 Sr 2.4127349 0.0000000 -0.0000000 0.0000000 2.4127349 -0.0000000 0.0000000 0.0000000 2.2805660 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 109, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 133, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000036 (xxx) 0.00000036 (xxx) 0.00000036 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000004 (yx) -0.00000004 (yx) 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 01:45:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:45:27]------------------------- 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: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R32 (155) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.454779849654392 1.417267806999229 8.033713129999990 b -2.454779849654387 1.417267806999229 8.033713129999990 c 0.000000000000002 -2.834535613998463 8.033713129999990 Atomic positions (fractional): 1 B 0.73448824596870 0.73448824596870 0.73448824596870 10.811 2 B 0.26551175403130 0.26551175403130 0.26551175403130 10.811 3 O 0.51611905541777 0.32353507802958 0.96397463370772 15.999 4 O 0.32353507802958 0.96397463370772 0.51611905541777 15.999 5 O 0.96397463370772 0.51611905541777 0.32353507802958 15.999 6 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 7 O 0.48388094458223 0.03602536629228 0.67646492197042 15.999 8 O 0.03602536629228 0.67646492197042 0.48388094458223 15.999 9 O 0.67646492197042 0.48388094458224 0.03602536629228 15.999 10 Al 0.56988623197006 0.56988623197006 0.56988623197006 26.982 11 Al 0.43011376802994 0.43011376802994 0.43011376802994 26.982 12 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.819119398617557 0.000000000000000 0.000000000000000 b -4.909559699308778 8.503606841995383 0.000000000000000 c 0.000000000000000 0.000000000000000 24.101139389999997 Atomic positions (fractional): 1 B 0.33333333333333 0.16666666666667 0.06782157930204 10.811 > 1 2 B 0.83333333333333 0.16666666666667 0.06782157930204 10.811 > 1 3 B 0.33333333333333 0.66666666666667 0.06782157930204 10.811 > 1 4 B 0.83333333333333 0.66666666666667 0.06782157930204 10.811 > 1 5 B 0.00000000000000 0.00000000000000 0.26551175403130 10.811 > 5 6 B 0.50000000000000 0.00000000000000 0.26551175403130 10.811 > 5 7 B 0.00000000000000 0.50000000000000 0.26551175403130 10.811 > 5 8 B 0.50000000000000 0.50000000000000 0.26551175403130 10.811 > 5 9 B 0.16666666666667 0.33333333333333 0.40115491263537 10.811 > 1 10 B 0.66666666666667 0.33333333333333 0.40115491263537 10.811 > 1 11 B 0.16666666666667 0.83333333333333 0.40115491263537 10.811 > 1 12 B 0.66666666666667 0.83333333333333 0.40115491263537 10.811 > 1 13 B 0.33333333333333 0.16666666666667 0.59884508736463 10.811 > 5 14 B 0.83333333333333 0.16666666666667 0.59884508736463 10.811 > 5 15 B 0.33333333333333 0.66666666666667 0.59884508736463 10.811 > 5 16 B 0.83333333333333 0.66666666666667 0.59884508736463 10.811 > 5 17 B 0.00000000000000 0.00000000000000 0.73448824596870 10.811 > 1 18 B 0.50000000000000 0.00000000000000 0.73448824596870 10.811 > 1 19 B 0.00000000000000 0.50000000000000 0.73448824596870 10.811 > 1 20 B 0.50000000000000 0.50000000000000 0.73448824596870 10.811 > 1 21 B 0.16666666666667 0.33333333333333 0.93217842069796 10.811 > 5 22 B 0.66666666666667 0.33333333333333 0.93217842069796 10.811 > 5 23 B 0.16666666666667 0.83333333333333 0.93217842069796 10.811 > 5 24 B 0.66666666666667 0.83333333333333 0.93217842069796 10.811 > 5 25 O 0.12412139984970 0.15195081100532 0.26787625571835 15.999 > 25 26 O 0.62412139984971 0.15195081100532 0.26787625571835 15.999 > 25 27 O 0.12412139984970 0.65195081100532 0.26787625571835 15.999 > 25 28 O 0.62412139984971 0.65195081100532 0.26787625571835 15.999 > 25 29 O 0.02782941115561 0.37587860015030 0.26787625571835 15.999 > 29 30 O 0.52782941115561 0.37587860015030 0.26787625571835 15.999 > 29 31 O 0.02782941115561 0.87587860015029 0.26787625571835 15.999 > 29 32 O 0.52782941115561 0.87587860015029 0.26787625571835 15.999 > 29 33 O 0.34804918899468 0.47217058884439 0.26787625571835 15.999 > 33 34 O 0.84804918899468 0.47217058884439 0.26787625571835 15.999 > 33 35 O 0.34804918899468 0.97217058884439 0.26787625571835 15.999 > 33 36 O 0.84804918899468 0.97217058884439 0.26787625571835 15.999 > 33 37 O 0.16666666666667 0.33333333333333 0.16666666666667 15.999 > 37 38 O 0.66666666666667 0.33333333333333 0.16666666666667 15.999 > 37 39 O 0.16666666666667 0.83333333333333 0.16666666666667 15.999 > 37 40 O 0.66666666666667 0.83333333333333 0.16666666666667 15.999 > 37 41 O 0.20921193348363 0.19449607782228 0.06545707761498 15.999 > 41 42 O 0.70921193348363 0.19449607782228 0.06545707761498 15.999 > 41 43 O 0.20921193348363 0.69449607782228 0.06545707761498 15.999 > 41 44 O 0.70921193348363 0.69449607782228 0.06545707761498 15.999 > 41 45 O 0.48528414433865 0.29078806651637 0.06545707761498 15.999 > 45 46 O 0.98528414433865 0.29078806651637 0.06545707761498 15.999 > 45 47 O 0.48528414433865 0.79078806651637 0.06545707761498 15.999 > 45 48 O 0.98528414433865 0.79078806651637 0.06545707761498 15.999 > 45 49 O 0.30550392217772 0.01471585566135 0.06545707761498 15.999 > 49 50 O 0.80550392217772 0.01471585566135 0.06545707761498 15.999 > 49 51 O 0.30550392217772 0.51471585566135 0.06545707761498 15.999 > 49 52 O 0.80550392217772 0.51471585566135 0.06545707761498 15.999 > 49 53 O 0.45745473318304 0.31861747767199 0.60120958905169 15.999 > 25 54 O 0.95745473318304 0.31861747767199 0.60120958905169 15.999 > 25 55 O 0.45745473318304 0.81861747767199 0.60120958905169 15.999 > 25 56 O 0.95745473318304 0.81861747767199 0.60120958905169 15.999 > 25 57 O 0.36116274448895 0.04254526681696 0.60120958905169 15.999 > 29 58 O 0.86116274448895 0.04254526681696 0.60120958905169 15.999 > 29 59 O 0.36116274448895 0.54254526681696 0.60120958905169 15.999 > 29 60 O 0.86116274448895 0.54254526681696 0.60120958905169 15.999 > 29 61 O 0.18138252232801 0.13883725551105 0.60120958905169 15.999 > 33 62 O 0.68138252232801 0.13883725551105 0.60120958905169 15.999 > 33 63 O 0.18138252232801 0.63883725551105 0.60120958905169 15.999 > 33 64 O 0.68138252232801 0.63883725551105 0.60120958905169 15.999 > 33 65 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 37 66 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 37 67 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 37 68 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 37 69 O 0.04254526681696 0.36116274448895 0.39879041094831 15.999 > 41 70 O 0.54254526681696 0.36116274448895 0.39879041094831 15.999 > 41 71 O 0.04254526681696 0.86116274448895 0.39879041094831 15.999 > 41 72 O 0.54254526681696 0.86116274448895 0.39879041094831 15.999 > 41 73 O 0.31861747767199 0.45745473318304 0.39879041094831 15.999 > 45 74 O 0.81861747767199 0.45745473318304 0.39879041094831 15.999 > 45 75 O 0.31861747767199 0.95745473318304 0.39879041094831 15.999 > 45 76 O 0.81861747767199 0.95745473318304 0.39879041094831 15.999 > 45 77 O 0.13883725551105 0.18138252232801 0.39879041094831 15.999 > 49 78 O 0.63883725551105 0.18138252232801 0.39879041094831 15.999 > 49 79 O 0.13883725551105 0.68138252232801 0.39879041094831 15.999 > 49 80 O 0.63883725551105 0.68138252232801 0.39879041094831 15.999 > 49 81 O 0.29078806651637 0.48528414433865 0.93454292238502 15.999 > 25 82 O 0.79078806651637 0.48528414433865 0.93454292238502 15.999 > 25 83 O 0.29078806651637 0.98528414433865 0.93454292238502 15.999 > 25 84 O 0.79078806651637 0.98528414433865 0.93454292238502 15.999 > 25 85 O 0.19449607782228 0.20921193348363 0.93454292238502 15.999 > 29 86 O 0.69449607782228 0.20921193348363 0.93454292238502 15.999 > 29 87 O 0.19449607782228 0.70921193348363 0.93454292238502 15.999 > 29 88 O 0.69449607782228 0.70921193348363 0.93454292238502 15.999 > 29 89 O 0.01471585566135 0.30550392217772 0.93454292238502 15.999 > 33 90 O 0.51471585566135 0.30550392217772 0.93454292238502 15.999 > 33 91 O 0.01471585566135 0.80550392217772 0.93454292238502 15.999 > 33 92 O 0.51471585566135 0.80550392217772 0.93454292238502 15.999 > 33 93 O 0.33333333333333 0.16666666666667 0.83333333333333 15.999 > 37 94 O 0.83333333333333 0.16666666666667 0.83333333333333 15.999 > 37 95 O 0.33333333333333 0.66666666666667 0.83333333333333 15.999 > 37 96 O 0.83333333333333 0.66666666666667 0.83333333333333 15.999 > 37 97 O 0.37587860015030 0.02782941115561 0.73212374428164 15.999 > 41 98 O 0.87587860015029 0.02782941115561 0.73212374428164 15.999 > 41 99 O 0.37587860015030 0.52782941115561 0.73212374428164 15.999 > 41 100 O 0.87587860015029 0.52782941115561 0.73212374428164 15.999 > 41 101 O 0.15195081100532 0.12412139984970 0.73212374428164 15.999 > 45 102 O 0.65195081100532 0.12412139984970 0.73212374428164 15.999 > 45 103 O 0.15195081100532 0.62412139984971 0.73212374428164 15.999 > 45 104 O 0.65195081100532 0.62412139984971 0.73212374428164 15.999 > 45 105 O 0.47217058884439 0.34804918899468 0.73212374428164 15.999 > 49 106 O 0.97217058884439 0.34804918899468 0.73212374428164 15.999 > 49 107 O 0.47217058884439 0.84804918899468 0.73212374428164 15.999 > 49 108 O 0.97217058884439 0.84804918899468 0.73212374428164 15.999 > 49 109 Al 0.16666666666667 0.33333333333333 0.23655289863673 26.982 > 109 110 Al 0.66666666666667 0.33333333333333 0.23655289863673 26.982 > 109 111 Al 0.16666666666667 0.83333333333333 0.23655289863673 26.982 > 109 112 Al 0.66666666666667 0.83333333333333 0.23655289863673 26.982 > 109 113 Al 0.16666666666667 0.33333333333333 0.09678043469661 26.982 > 113 114 Al 0.66666666666667 0.33333333333333 0.09678043469661 26.982 > 113 115 Al 0.16666666666667 0.83333333333333 0.09678043469661 26.982 > 113 116 Al 0.66666666666667 0.83333333333333 0.09678043469661 26.982 > 113 117 Al 0.00000000000000 0.00000000000000 0.56988623197006 26.982 > 109 118 Al 0.50000000000000 0.00000000000000 0.56988623197006 26.982 > 109 119 Al 0.00000000000000 0.50000000000000 0.56988623197006 26.982 > 109 120 Al 0.50000000000000 0.50000000000000 0.56988623197006 26.982 > 109 121 Al 0.00000000000000 0.00000000000000 0.43011376802994 26.982 > 113 122 Al 0.50000000000000 0.00000000000000 0.43011376802994 26.982 > 113 123 Al 0.00000000000000 0.50000000000000 0.43011376802994 26.982 > 113 124 Al 0.50000000000000 0.50000000000000 0.43011376802994 26.982 > 113 125 Al 0.33333333333333 0.16666666666667 0.90321956530339 26.982 > 109 126 Al 0.83333333333333 0.16666666666667 0.90321956530339 26.982 > 109 127 Al 0.33333333333333 0.66666666666667 0.90321956530339 26.982 > 109 128 Al 0.83333333333333 0.66666666666667 0.90321956530339 26.982 > 109 129 Al 0.33333333333333 0.16666666666667 0.76344710136327 26.982 > 113 130 Al 0.83333333333333 0.16666666666667 0.76344710136327 26.982 > 113 131 Al 0.33333333333333 0.66666666666667 0.76344710136327 26.982 > 113 132 Al 0.83333333333333 0.66666666666667 0.76344710136327 26.982 > 113 133 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 133 134 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 > 133 135 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 133 136 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 133 137 Sr 0.33333333333333 0.16666666666667 0.33333333333333 87.620 > 133 138 Sr 0.83333333333333 0.16666666666667 0.33333333333333 87.620 > 133 139 Sr 0.33333333333333 0.66666666666667 0.33333333333333 87.620 > 133 140 Sr 0.83333333333333 0.66666666666667 0.33333333333333 87.620 > 133 141 Sr 0.16666666666667 0.33333333333333 0.66666666666667 87.620 > 133 142 Sr 0.66666666666667 0.33333333333333 0.66666666666667 87.620 > 133 143 Sr 0.16666666666667 0.83333333333333 0.66666666666667 87.620 > 133 144 Sr 0.66666666666667 0.83333333333333 0.66666666666667 87.620 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5737502 0.0000000 0.0000000 0.0000000 2.5737502 0.0000000 0.0000000 0.0000000 2.3301104 -------------------------- Born effective charges -------------------------- 1 B 2.7993888 0.0963068 -0.0000000 -0.0963068 2.7993888 -0.0000000 0.0000000 0.0000000 0.5262625 2 B 2.7993888 -0.0963068 -0.0000000 0.0963068 2.7993888 -0.0000000 0.0000000 0.0000000 0.5262625 3 O -1.4532604 -0.2241660 -0.2155023 -0.2163241 -2.5565437 0.1164823 -0.1930241 0.1758720 -1.0633533 4 O -2.0899851 0.5839373 0.2086277 0.5917792 -1.9198190 0.1283893 0.2488216 0.0792278 -1.0633533 5 O -2.4714607 -0.3715341 0.0068745 -0.3636922 -1.5383434 -0.2448716 -0.0557976 -0.2550997 -1.0633533 6 O -1.1807372 -0.0000000 -0.0000000 0.0000000 -1.1807372 -0.0000000 0.0000000 0.0000000 -2.6919743 7 O -2.4714607 0.3715341 -0.0068745 0.3636922 -1.5383434 -0.2448716 0.0557976 -0.2550997 -1.0633533 8 O -2.0899851 -0.5839373 -0.2086277 -0.5917792 -1.9198190 0.1283893 -0.2488216 0.0792278 -1.0633533 9 O -1.4532604 0.2241660 0.2155023 0.2163241 -2.5565437 0.1164823 0.1930241 0.1758720 -1.0633533 10 Al 2.5993185 0.1510966 -0.0000000 -0.1510966 2.5993185 -0.0000000 0.0000000 0.0000000 2.8695017 11 Al 2.5993185 -0.1510966 -0.0000000 0.1510966 2.5993185 -0.0000000 0.0000000 0.0000000 2.8695017 12 Sr 2.4127349 0.0000000 -0.0000000 0.0000000 2.4127349 -0.0000000 0.0000000 0.0000000 2.2805660 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000036 (xxx) 0.00000036 (xxx) 0.00000036 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 12 ] 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: 0.75, Number of G-points: 325, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/189) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.973 ( 0.000 0.000 -0.000) 0.000 0.973 ( 0.000 0.000 0.000) 0.000 3.788 ( 0.000 -0.000 0.000) 0.000 3.788 ( 0.000 0.000 -0.000) 0.000 4.303 ( 0.000 0.000 0.000) 0.000 4.303 ( 0.000 -0.000 0.000) 0.000 5.114 ( 0.000 0.000 -0.000) 0.000 6.401 ( 0.000 0.000 0.000) 0.000 7.670 ( 0.000 0.000 -0.000) 0.000 7.670 ( 0.000 -0.000 0.000) 0.000 7.965 ( 0.000 0.000 0.000) 0.000 8.575 ( 0.000 0.000 0.000) 0.000 8.575 ( 0.000 -0.000 -0.000) 0.000 10.872 ( 0.000 0.000 -0.000) 0.000 13.183 ( 0.000 0.000 -0.000) 0.000 14.610 ( 0.000 0.000 -0.000) 0.000 14.610 ( 0.000 0.000 -0.000) 0.000 14.704 ( 0.000 0.000 -0.000) 0.000 14.704 ( 0.000 0.000 -0.000) 0.000 19.069 ( -0.000 0.000 -0.000) 0.000 21.093 ( -0.000 0.000 0.000) 0.000 21.339 ( 0.000 0.000 0.000) 0.000 21.339 ( 0.000 0.000 -0.000) 0.000 21.472 ( 0.000 0.000 0.000) 0.000 21.472 ( 0.000 0.000 0.000) 0.000 22.518 ( 0.000 0.000 0.000) 0.000 30.458 ( 0.000 0.000 -0.000) 0.000 30.710 ( 0.000 0.000 0.000) 0.000 32.742 ( 0.000 0.000 -0.000) 0.000 37.890 ( 0.000 0.000 -0.000) 0.000 37.890 ( 0.000 0.000 0.000) 0.000 38.226 ( 0.000 0.000 -0.000) 0.000 38.226 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/189) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( 13.886 8.017 26.620) 31.076 0.902 ( 37.868 21.863 -1.298) 43.745 1.243 ( 20.633 11.912 5.097) 24.364 1.521 ( 46.045 26.584 2.063) 53.208 1.706 ( 61.668 35.604 8.573) 71.723 3.706 ( -6.354 -3.668 -4.041) 8.376 3.836 ( 4.915 2.838 -6.503) 8.632 4.341 ( 2.238 1.292 8.264) 8.658 4.798 ( -0.443 -0.256 -14.324) 14.333 5.314 ( 10.114 5.839 18.494) 21.873 6.434 ( 3.610 2.084 -3.174) 5.239 7.526 ( -7.428 -4.288 -17.860) 19.813 7.867 ( 2.338 1.350 14.226) 14.480 8.081 ( 8.691 5.018 -0.624) 10.055 8.597 ( 2.967 1.713 -5.521) 6.497 8.890 ( 3.165 1.828 2.951) 4.698 10.906 ( 2.934 1.694 0.105) 3.390 13.201 ( -0.553 -0.319 7.059) 7.088 14.539 ( -6.535 -3.773 0.703) 7.578 14.626 ( -6.715 -3.877 -0.536) 7.772 14.747 ( 3.521 2.033 0.464) 4.092 16.258 ( -4.390 -2.534 -20.705) 21.316 18.992 ( -6.562 -3.789 -0.342) 7.585 21.098 ( -0.860 -0.496 4.401) 4.512 21.334 ( -1.459 -0.842 -1.009) 1.964 21.378 ( 2.073 1.197 1.824) 3.009 21.445 ( -2.136 -1.233 0.178) 2.472 21.989 ( -5.720 -3.303 -0.813) 6.655 22.614 ( 5.982 3.453 0.157) 6.909 30.432 ( -2.004 -1.157 -0.108) 2.317 30.716 ( 0.935 0.540 -2.610) 2.824 32.712 ( -7.284 -4.206 16.513) 18.532 37.919 ( 2.316 1.337 0.642) 2.750 38.229 ( 2.639 1.524 -0.727) 3.133 38.409 ( 15.280 8.822 1.054) 17.675 41.475 ( 5.766 3.329 -45.573) 46.057 ======================= Grid point 2 (3/189) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 15.055 8.692 18.545) 25.419 1.666 ( 29.438 16.996 -4.695) 34.315 1.739 ( 18.386 10.615 17.017) 27.209 2.420 ( 32.163 18.569 2.352) 37.213 3.056 ( 43.566 25.153 8.413) 51.004 3.553 ( -0.442 -0.255 -6.039) 6.061 3.996 ( 10.713 6.185 -10.992) 16.549 4.458 ( 6.816 3.935 8.073) 11.275 4.776 ( 4.198 2.423 0.853) 4.921 5.682 ( 16.269 9.393 6.665) 19.933 6.557 ( 9.023 5.210 -6.611) 12.340 7.278 ( -7.200 -4.157 -20.942) 22.532 7.999 ( 4.748 2.741 13.856) 14.901 8.325 ( 12.773 7.375 -0.148) 14.750 8.687 ( 6.887 3.976 -3.628) 8.741 9.001 ( 5.322 3.073 6.264) 8.775 11.003 ( 5.676 3.277 -0.699) 6.591 13.215 ( 0.017 0.010 3.893) 3.893 14.320 ( -12.980 -7.494 1.168) 15.034 14.400 ( -12.958 -7.481 -0.695) 14.978 14.844 ( 4.068 2.348 1.604) 4.963 16.017 ( -11.179 -6.454 -13.744) 18.856 18.785 ( -11.103 -6.410 0.341) 12.825 21.097 ( -0.150 -0.087 1.606) 1.615 21.290 ( -1.801 -1.040 -0.389) 2.115 21.379 ( -2.581 -1.490 0.127) 2.983 21.451 ( 2.500 1.443 2.780) 4.008 21.881 ( -3.451 -1.992 -0.461) 4.011 22.715 ( 2.466 1.424 -0.940) 2.998 30.389 ( -1.162 -0.671 -0.406) 1.402 30.734 ( 1.669 0.964 -4.036) 4.473 32.573 ( -8.462 -4.885 8.985) 13.274 37.991 ( 3.603 2.080 0.811) 4.238 38.311 ( 4.726 2.729 -0.884) 5.529 38.871 ( 23.431 13.528 3.256) 27.251 41.432 ( 0.840 0.485 -22.871) 22.892 ======================= Grid point 3 (4/189) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 13.799 7.967 9.537) 18.570 2.086 ( 9.996 5.771 6.506) 13.249 2.237 ( 18.128 10.466 7.773) 22.329 2.800 ( 0.706 0.408 1.611) 1.805 3.512 ( 13.912 8.032 0.910) 16.090 3.750 ( 0.782 0.451 1.952) 2.151 4.240 ( 17.032 9.833 -9.754) 21.952 4.686 ( 7.181 4.146 11.013) 13.786 5.248 ( 35.431 20.456 2.181) 40.970 5.964 ( 5.288 3.053 -2.601) 6.637 6.794 ( 13.860 8.002 -9.021) 18.371 7.153 ( 3.853 2.225 -14.255) 14.933 8.172 ( 7.864 4.540 5.140) 10.434 8.623 ( 11.928 6.887 2.107) 13.934 8.916 ( 13.773 7.952 5.091) 16.699 9.191 ( 10.446 6.031 4.690) 12.942 11.149 ( 7.399 4.272 -2.374) 8.867 13.217 ( -1.095 -0.632 1.968) 2.339 13.965 ( -18.438 -10.645 0.763) 21.304 14.050 ( -17.309 -9.993 0.141) 19.987 14.919 ( 1.291 0.746 3.687) 3.977 15.684 ( -13.501 -7.795 -12.352) 19.890 18.525 ( -11.529 -6.656 1.625) 13.411 21.102 ( 0.209 0.121 0.851) 0.884 21.257 ( -1.098 -0.634 -0.023) 1.268 21.334 ( -1.276 -0.737 1.135) 1.860 21.511 ( 1.839 1.062 2.915) 3.607 21.819 ( -2.160 -1.247 -1.532) 2.928 22.715 ( -1.654 -0.955 -2.648) 3.265 30.396 ( 2.113 1.220 -0.565) 2.505 30.761 ( 1.812 1.046 -3.850) 4.382 32.405 ( -8.333 -4.811 5.507) 11.086 38.076 ( 3.479 2.009 0.317) 4.030 38.430 ( 5.806 3.352 -0.360) 6.714 39.436 ( 24.069 13.896 6.013) 28.435 41.352 ( -2.132 -1.231 -15.704) 15.895 ======================= Grid point 4 (5/189) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 9.509 5.490 2.169) 11.193 2.194 ( -1.720 -0.993 3.954) 4.425 2.448 ( -3.675 -2.122 -0.410) 4.263 2.845 ( 8.021 4.631 7.651) 12.013 3.585 ( -1.815 -1.048 -3.036) 3.689 3.931 ( 11.311 6.530 11.514) 17.411 4.528 ( 8.468 4.889 -2.011) 9.983 4.884 ( 6.408 3.699 6.604) 9.917 5.845 ( -1.212 -0.699 -14.842) 14.908 6.083 ( 25.336 14.628 -0.388) 29.259 7.094 ( 14.671 8.470 -11.991) 20.755 7.324 ( 9.325 5.384 3.895) 11.451 8.403 ( 11.586 6.689 -2.731) 13.654 8.887 ( 12.407 7.163 4.879) 15.134 9.309 ( 16.849 9.728 8.616) 21.278 9.522 ( 17.305 9.991 2.135) 20.096 11.294 ( 5.395 3.115 -3.741) 7.267 13.155 ( -5.604 -3.236 0.236) 6.476 13.525 ( -19.112 -11.034 -0.556) 22.076 13.662 ( -15.496 -8.947 2.004) 18.006 14.899 ( -5.356 -3.092 5.030) 7.972 15.369 ( -9.240 -5.334 -10.725) 15.128 18.300 ( -8.523 -4.921 2.226) 10.090 21.112 ( 0.383 0.221 1.226) 1.303 21.236 ( -0.853 -0.492 -0.313) 1.033 21.334 ( 0.842 0.486 2.066) 2.284 21.555 ( 1.193 0.689 2.350) 2.724 21.758 ( -2.646 -1.527 -2.680) 4.064 22.642 ( -3.399 -1.963 -3.459) 5.232 30.479 ( 5.102 2.945 -0.472) 5.910 30.783 ( 0.977 0.564 -2.534) 2.774 32.243 ( -7.113 -4.107 2.930) 8.721 38.144 ( 2.424 1.400 -0.278) 2.813 38.559 ( 5.346 3.086 0.266) 6.178 39.970 ( 20.536 11.857 8.294) 25.122 41.224 ( -4.914 -2.837 -12.695) 13.906 ======================= Grid point 5 (6/189) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 4.774 2.757 -1.423) 5.694 2.109 ( -4.782 -2.761 1.995) 5.871 2.243 ( -9.830 -5.676 -2.634) 11.653 3.063 ( 6.161 3.557 5.625) 9.069 3.660 ( 8.022 4.632 0.621) 9.284 4.151 ( 4.525 2.612 9.457) 10.805 4.646 ( 2.692 1.554 2.587) 4.044 4.925 ( -4.118 -2.377 1.825) 5.093 5.713 ( -1.099 -0.635 -15.738) 15.790 6.585 ( 15.895 9.177 -0.281) 18.356 7.331 ( 9.922 5.728 -13.242) 17.511 7.481 ( 1.423 0.822 11.804) 11.918 8.597 ( 5.305 3.063 -1.605) 6.332 9.278 ( 18.960 10.947 3.481) 22.168 9.654 ( 9.736 5.621 6.140) 12.810 9.932 ( 16.777 9.686 -0.643) 19.383 11.322 ( -2.169 -1.252 -2.718) 3.696 12.932 ( -12.466 -7.198 -0.800) 14.417 13.172 ( -10.406 -6.008 -0.528) 12.027 13.456 ( -3.247 -1.875 2.449) 4.478 14.705 ( -10.538 -6.084 1.018) 12.211 15.232 ( -1.543 -0.891 -4.307) 4.661 18.162 ( -4.283 -2.473 1.562) 5.186 21.132 ( 1.006 0.581 1.619) 1.993 21.209 ( -1.405 -0.811 -0.748) 1.786 21.387 ( 2.979 1.720 2.744) 4.400 21.565 ( -1.437 -0.829 -0.197) 1.670 21.694 ( -1.562 -0.902 -1.920) 2.634 22.560 ( -2.542 -1.468 -2.443) 3.820 30.604 ( 5.623 3.247 -0.322) 6.501 30.779 ( -0.944 -0.545 -0.982) 1.467 32.116 ( -4.394 -2.537 1.107) 5.193 38.183 ( 1.168 0.675 -0.369) 1.399 38.660 ( 3.209 1.853 0.372) 3.724 40.412 ( 15.641 9.030 9.585) 20.446 41.039 ( -7.737 -4.467 -11.198) 14.325 ======================= Grid point 6 (7/189) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 0.000 0.000 -0.000) 0.000 2.045 ( 0.000 0.000 -0.000) 0.000 2.114 ( 0.000 0.000 0.000) 0.000 3.140 ( 0.000 0.000 0.000) 0.000 3.797 ( 0.000 0.000 -0.000) 0.000 4.210 ( 0.000 0.000 0.000) 0.000 4.682 ( 0.000 0.000 -0.000) 0.000 4.841 ( 0.000 0.000 0.000) 0.000 5.684 ( 0.000 0.000 0.000) 0.000 6.768 ( 0.000 0.000 0.000) 0.000 7.436 ( -0.000 -0.000 0.000) 0.000 7.497 ( 0.000 0.000 -0.000) 0.000 8.649 ( 0.000 0.000 -0.000) 0.000 9.563 ( 0.000 0.000 -0.000) 0.000 9.757 ( 0.000 0.000 0.000) 0.000 10.153 ( 0.000 0.000 0.000) 0.000 11.260 ( 0.000 0.000 -0.000) 0.000 12.755 ( 0.000 0.000 0.000) 0.000 13.059 ( 0.000 0.000 -0.000) 0.000 13.446 ( 0.000 0.000 -0.000) 0.000 14.562 ( 0.000 0.000 0.000) 0.000 15.214 ( 0.000 0.000 -0.000) 0.000 18.116 ( 0.000 0.000 0.000) 0.000 21.162 ( 0.000 0.000 0.000) 0.000 21.176 ( -0.000 -0.000 -0.000) 0.000 21.463 ( 0.000 0.000 0.000) 0.000 21.504 ( -0.000 -0.000 -0.000) 0.000 21.680 ( 0.000 0.000 0.000) 0.000 22.524 ( 0.000 0.000 0.000) 0.000 30.696 ( 0.000 0.000 0.000) 0.000 30.743 ( 0.000 0.000 0.000) 0.000 32.066 ( 0.000 0.000 0.000) 0.000 38.195 ( 0.000 0.000 0.000) 0.000 38.698 ( 0.000 0.000 -0.000) 0.000 40.694 ( 0.000 0.000 0.000) 0.000 40.844 ( -0.000 -0.000 -0.000) 0.000 ======================= Grid point 14 (8/189) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( -0.000 12.033 41.697) 43.399 0.927 ( 0.000 43.161 5.796) 43.548 1.218 ( 0.000 25.498 0.685) 25.507 1.581 ( 0.000 60.704 12.819) 62.042 1.693 ( 0.000 59.733 6.632) 60.100 3.693 ( 0.000 -4.663 -5.732) 7.389 3.907 ( -0.000 7.978 3.379) 8.664 4.294 ( -0.000 -0.111 0.524) 0.535 4.722 ( 0.000 4.591 -18.742) 19.296 5.391 ( -0.000 3.081 24.027) 24.224 6.419 ( 0.000 4.238 -5.956) 7.310 7.492 ( 0.000 -1.934 -22.024) 22.109 7.844 ( -0.000 -3.957 8.083) 8.999 8.106 ( -0.000 11.118 4.094) 11.848 8.601 ( 0.000 4.273 -5.208) 6.736 8.876 ( -0.000 4.442 1.482) 4.683 10.906 ( 0.000 3.311 0.212) 3.317 13.232 ( -0.000 -3.823 12.144) 12.731 14.531 ( -0.000 -7.877 -0.712) 7.909 14.632 ( -0.000 -7.509 0.478) 7.524 14.743 ( 0.000 3.896 -0.318) 3.909 16.209 ( 0.000 5.152 -27.706) 28.180 18.989 ( -0.000 -7.917 -0.530) 7.934 21.124 ( -0.000 -3.057 8.437) 8.974 21.346 ( -0.000 -1.957 0.840) 2.129 21.364 ( 0.000 2.365 -0.483) 2.413 21.443 ( -0.000 -2.810 -0.222) 2.818 21.964 ( 0.000 -6.321 -5.111) 8.129 22.616 ( 0.000 7.000 0.497) 7.018 30.432 ( -0.000 -2.270 -0.139) 2.274 30.703 ( 0.000 0.894 -4.259) 4.352 32.799 ( -0.000 -15.169 30.308) 33.892 37.913 ( 0.000 2.397 -0.519) 2.453 38.235 ( 0.000 3.405 0.505) 3.443 38.401 ( 0.000 17.264 -0.562) 17.273 41.263 ( 0.000 26.939 -77.763) 82.297 ======================= Grid point 15 (9/189) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 4.256 11.519 34.791) 36.894 1.414 ( 15.524 33.010 -0.517) 36.482 1.712 ( 20.292 25.071 17.338) 36.619 2.236 ( 14.878 34.203 8.206) 38.190 2.754 ( 36.011 51.763 4.513) 63.219 3.570 ( -5.274 -3.071 -2.994) 6.797 4.016 ( 0.134 16.952 -8.023) 18.756 4.398 ( 8.376 1.857 6.674) 10.870 4.708 ( 0.994 -1.690 -3.326) 3.861 5.582 ( 9.229 9.855 6.120) 14.824 6.484 ( 4.204 7.807 -9.099) 12.705 7.327 ( -8.753 0.324 -18.648) 20.603 7.923 ( 8.266 -2.849 6.189) 10.712 8.272 ( 4.928 12.417 3.038) 13.700 8.646 ( 2.798 6.502 -4.052) 8.156 8.980 ( 3.964 4.328 6.326) 8.629 10.971 ( 2.834 5.038 -0.514) 5.804 13.232 ( -0.385 -1.446 6.482) 6.652 14.390 ( -5.498 -11.518 -0.141) 12.764 14.475 ( -7.287 -11.308 0.066) 13.453 14.820 ( 3.402 4.488 0.788) 5.687 16.077 ( -8.191 -3.542 -14.224) 16.791 18.841 ( -5.701 -11.077 -0.642) 12.474 21.113 ( -0.856 -0.821 3.799) 3.980 21.307 ( -2.207 -1.942 -0.534) 2.988 21.373 ( -1.114 -3.994 0.528) 4.180 21.427 ( 2.395 1.167 0.752) 2.768 21.897 ( -0.375 -3.144 -2.856) 4.264 22.701 ( 1.780 4.091 -0.052) 4.461 30.398 ( -1.099 -1.609 -0.339) 1.977 30.705 ( 1.018 1.473 -5.810) 6.080 32.680 ( -6.724 -10.518 16.948) 21.049 37.970 ( 2.926 3.508 0.005) 4.569 38.295 ( 2.045 5.339 -0.065) 5.718 38.721 ( 13.728 20.802 1.791) 24.988 41.304 ( 4.124 9.001 -39.868) 41.079 ======================= Grid point 16 (10/189) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 8.164 10.687 23.370) 26.964 1.972 ( 16.242 20.855 -0.892) 26.449 2.297 ( 8.616 25.429 21.507) 34.401 2.740 ( 11.486 8.736 4.026) 14.982 3.454 ( 3.996 12.566 -1.452) 13.266 3.693 ( 16.702 13.643 3.711) 21.883 4.141 ( 0.656 12.991 -10.968) 17.014 4.671 ( 8.383 10.502 10.073) 16.794 4.872 ( 24.245 10.841 1.261) 26.589 5.851 ( 10.313 4.171 -4.733) 12.089 6.666 ( 9.675 12.820 -11.784) 19.920 7.154 ( -5.668 5.959 -13.160) 15.518 8.059 ( 8.030 -1.819 3.912) 9.115 8.523 ( 9.187 10.083 1.449) 13.718 8.841 ( 10.297 12.535 3.067) 16.509 9.128 ( 5.662 5.356 6.598) 10.212 11.093 ( 4.953 6.860 -2.038) 8.703 13.230 ( -0.559 -1.365 3.269) 3.586 14.113 ( -12.474 -14.086 -0.030) 18.815 14.178 ( -12.073 -14.768 0.320) 19.077 14.927 ( 2.813 4.213 2.786) 5.782 15.793 ( -13.159 -7.023 -10.348) 18.153 18.598 ( -8.247 -12.744 0.206) 15.181 21.108 ( -0.494 -0.172 1.489) 1.579 21.244 ( -1.286 -3.542 -0.778) 3.848 21.319 ( 0.369 -4.761 1.943) 5.155 21.491 ( 2.165 1.582 1.214) 2.944 21.870 ( -1.496 2.115 -2.058) 3.309 22.726 ( -1.114 0.156 -1.525) 1.895 30.383 ( 0.499 0.809 -0.461) 1.056 30.726 ( 1.826 1.763 -5.832) 6.360 32.507 ( -7.818 -8.341 9.715) 15.003 38.065 ( 2.943 5.060 0.083) 5.854 38.407 ( 3.676 7.384 -0.198) 8.251 39.226 ( 20.049 18.395 5.283) 27.718 41.283 ( 0.701 0.847 -23.261) 23.287 ======================= Grid point 17 (11/189) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 7.101 10.242 12.585) 17.711 2.294 ( 0.193 12.948 1.707) 13.062 2.610 ( -4.354 14.205 10.898) 18.426 2.836 ( 1.008 5.202 5.773) 7.837 3.646 ( -2.570 4.307 -2.643) 5.669 3.880 ( 7.478 9.081 10.135) 15.528 4.401 ( 12.857 12.379 -6.883) 19.129 4.909 ( 4.830 12.215 9.158) 16.013 5.553 ( 30.104 7.117 -5.193) 31.367 5.930 ( 4.060 3.228 -10.341) 11.569 6.956 ( 11.098 15.811 -12.427) 22.969 7.241 ( 8.622 10.470 -0.807) 13.587 8.210 ( 12.172 -0.318 -1.907) 12.325 8.761 ( 9.220 4.800 4.423) 11.297 9.227 ( 12.811 16.494 7.716) 22.264 9.351 ( 12.926 6.865 3.913) 15.150 11.239 ( 4.636 6.371 -3.442) 8.598 13.192 ( -2.714 -3.262 0.874) 4.333 13.706 ( -16.838 -15.124 -0.764) 22.645 13.810 ( -13.712 -14.313 1.470) 19.876 14.998 ( -1.711 4.011 5.298) 6.861 15.458 ( -13.026 -6.613 -9.616) 17.489 18.342 ( -6.636 -13.037 1.364) 14.692 21.097 ( 0.422 -2.527 0.620) 2.636 21.207 ( 1.208 -3.163 -0.285) 3.398 21.304 ( 1.171 -3.432 2.982) 4.695 21.530 ( 0.737 0.663 0.434) 1.082 21.864 ( -3.493 6.516 -2.267) 7.734 22.667 ( -3.248 -2.138 -2.606) 4.681 30.435 ( 3.373 3.281 -0.309) 4.716 30.756 ( 1.805 1.410 -4.412) 4.971 32.328 ( -7.378 -6.837 5.339) 11.387 38.158 ( 1.232 6.390 -0.372) 6.519 38.552 ( 3.488 9.098 0.248) 9.747 39.756 ( 20.842 12.696 8.059) 25.701 41.188 ( -1.875 -4.012 -16.210) 16.804 ======================= Grid point 18 (12/189) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 3.613 11.081 5.199) 12.762 2.261 ( -11.790 4.574 4.266) 13.346 2.531 ( -17.495 11.379 -0.379) 20.874 3.006 ( 6.056 3.656 7.189) 10.085 3.634 ( 1.338 6.343 0.912) 6.546 4.157 ( 6.351 8.327 9.132) 13.895 4.633 ( 4.683 8.252 -2.363) 9.778 5.063 ( -5.950 8.558 6.756) 12.421 5.660 ( 1.282 -0.296 -17.747) 17.796 6.328 ( 23.690 10.229 -1.751) 25.863 7.213 ( 7.853 11.286 -11.415) 17.870 7.494 ( 5.547 6.064 7.977) 11.454 8.482 ( 15.876 5.475 -4.884) 17.489 9.002 ( 15.837 1.513 5.878) 16.961 9.559 ( 10.283 6.493 5.608) 13.392 9.731 ( 17.819 9.633 2.094) 20.364 11.295 ( -0.521 -2.932 -2.979) 4.211 13.040 ( -9.319 -8.651 -0.757) 12.738 13.316 ( -13.051 -7.990 -0.835) 15.325 13.518 ( -6.905 -5.997 2.089) 9.381 14.919 ( -14.337 2.065 3.874) 14.994 15.240 ( -2.761 -1.282 -6.254) 6.955 18.144 ( -2.302 -12.508 1.828) 12.849 21.089 ( 3.110 -5.229 0.481) 6.103 21.206 ( 0.476 -1.171 -0.350) 1.312 21.305 ( 2.169 -4.108 3.255) 5.673 21.535 ( -0.410 0.158 -0.996) 1.089 21.862 ( -5.511 10.243 -2.004) 11.803 22.578 ( -2.919 -2.466 -2.040) 4.332 30.548 ( 5.065 4.200 -0.110) 6.581 30.776 ( 0.565 0.399 -2.397) 2.495 32.170 ( -5.564 -5.082 2.425) 7.916 38.225 ( -1.003 7.207 -0.556) 7.298 38.689 ( 1.080 9.855 0.469) 9.925 40.220 ( 18.875 6.524 9.543) 22.133 41.031 ( -3.969 -7.630 -12.868) 15.478 ======================= Grid point 19 (13/189) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( -0.834 15.291 1.215) 15.361 2.108 ( -10.074 0.248 6.469) 11.975 2.351 ( -15.920 15.859 0.586) 22.479 3.108 ( 2.859 -1.648 1.887) 3.801 3.764 ( 3.766 4.960 -3.968) 7.384 4.291 ( -1.343 5.452 5.025) 7.535 4.725 ( -1.283 7.974 -7.034) 10.710 4.952 ( -10.534 3.864 6.376) 12.905 5.701 ( 1.454 7.107 -2.434) 7.652 6.697 ( 10.063 4.719 -1.977) 11.289 7.357 ( 4.771 3.550 -9.076) 10.851 7.578 ( -2.241 2.102 8.033) 8.600 8.686 ( 1.256 7.572 -1.353) 7.794 9.380 ( 21.835 -0.299 0.566) 21.845 9.674 ( 0.857 -8.901 2.185) 9.205 10.086 ( 12.131 5.299 0.061) 13.238 11.159 ( -0.153 -15.520 0.425) 15.527 12.790 ( -6.722 -5.581 -1.104) 8.806 13.134 ( -5.646 2.488 -0.261) 6.175 13.460 ( -0.725 1.011 0.891) 1.531 14.700 ( -12.241 5.510 0.459) 13.432 15.224 ( -0.137 1.814 -0.996) 2.074 18.037 ( 2.712 -11.031 1.266) 11.430 21.100 ( 5.151 -7.461 -0.890) 9.110 21.188 ( -1.595 0.542 0.369) 1.724 21.317 ( 3.581 -5.990 1.203) 7.082 21.522 ( -1.175 1.474 -0.675) 2.002 21.865 ( -6.491 12.269 -1.218) 13.934 22.523 ( -0.632 -1.401 0.093) 1.539 30.667 ( 4.113 3.142 -0.067) 5.176 30.759 ( -1.649 -0.880 -0.698) 1.995 32.071 ( -1.936 -2.602 0.721) 3.323 38.261 ( -3.029 7.289 -0.234) 7.897 38.771 ( -2.812 9.126 0.223) 9.552 40.577 ( 13.805 0.004 8.109) 16.010 40.828 ( -4.096 -8.372 -9.181) 13.082 ======================= Grid point 20 (14/189) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( -14.730 9.871 7.522) 19.261 2.072 ( 4.064 6.099 -0.949) 7.390 2.367 ( -4.993 21.607 3.809) 22.501 3.082 ( -2.323 -4.376 -3.195) 5.895 3.735 ( -5.031 -2.915 -8.712) 10.474 4.254 ( -8.720 4.093 -2.705) 10.005 4.710 ( -4.587 6.655 -7.897) 11.300 4.959 ( -1.000 9.648 6.385) 11.613 5.777 ( -1.141 4.275 11.188) 12.031 6.706 ( -8.408 -5.432 -0.264) 10.014 7.392 ( 1.351 -2.454 -4.217) 5.063 7.546 ( -6.753 3.280 3.686) 8.364 8.695 ( -6.254 3.628 0.286) 7.236 9.360 ( -12.401 -20.682 -3.305) 24.340 9.636 ( 5.330 -5.969 -4.980) 9.425 10.098 ( -10.697 -7.859 2.358) 13.482 11.171 ( 14.377 -7.330 2.548) 16.337 12.794 ( 8.766 3.154 -0.194) 9.318 13.142 ( 0.824 6.765 1.249) 6.929 13.443 ( -1.455 0.563 -2.305) 2.783 14.697 ( 0.887 12.727 -0.036) 12.758 15.241 ( 0.098 1.769 2.282) 2.889 18.030 ( 7.337 -8.114 -0.009) 10.939 21.091 ( 3.594 -7.939 -2.633) 9.104 21.192 ( 0.642 1.139 0.926) 1.602 21.302 ( 1.899 -6.076 -1.580) 6.559 21.531 ( 0.014 1.656 0.980) 1.924 21.870 ( -6.680 12.022 -0.410) 13.760 22.536 ( 2.235 0.174 2.484) 3.346 30.669 ( -4.644 -2.027 0.182) 5.071 30.764 ( 2.086 1.338 0.142) 2.482 32.066 ( 2.662 0.086 -0.179) 2.670 38.263 ( -4.612 6.400 0.230) 7.891 38.769 ( -6.683 6.936 -0.150) 9.633 40.489 ( -9.180 -12.252 -8.450) 17.487 40.923 ( 12.388 0.011 8.626) 15.095 ======================= Grid point 21 (15/189) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -15.685 1.068 6.418) 16.981 2.225 ( 1.924 11.931 -3.038) 12.461 2.557 ( -2.221 19.810 4.491) 20.434 2.922 ( -8.088 -4.756 -8.522) 12.675 3.604 ( -1.724 -0.297 -3.626) 4.026 4.072 ( -13.147 0.581 -7.403) 15.099 4.640 ( -8.118 3.206 -0.948) 8.780 5.017 ( -7.335 8.062 -1.737) 11.037 5.834 ( 1.260 -2.314 14.344) 14.584 6.338 ( -21.086 -14.683 0.194) 25.695 7.301 ( -9.296 -3.191 3.769) 10.527 7.442 ( -9.407 2.044 -0.168) 9.628 8.512 ( -12.079 -11.114 0.641) 16.427 8.942 ( -9.169 -13.769 -5.242) 17.353 9.493 ( -12.161 -4.513 -6.687) 14.594 9.723 ( -18.714 -11.800 0.559) 22.131 11.330 ( 3.297 -1.107 3.592) 5.000 13.042 ( 11.990 3.508 -0.345) 12.498 13.329 ( 13.072 7.641 1.665) 15.233 13.493 ( 8.902 3.248 -2.734) 9.862 14.880 ( 3.392 11.731 -3.378) 12.670 15.313 ( 5.554 2.682 7.552) 9.751 18.128 ( 11.404 -3.945 -1.184) 12.125 21.074 ( 3.358 -5.110 -2.330) 6.544 21.213 ( 0.976 -1.416 0.878) 1.931 21.273 ( 1.809 -3.560 -2.756) 4.852 21.541 ( -0.626 0.536 0.268) 0.867 21.874 ( -5.324 9.771 0.442) 11.136 22.609 ( 3.873 1.178 3.616) 5.428 30.550 ( -6.088 -2.415 0.391) 6.562 30.794 ( 0.285 0.248 0.935) 1.009 32.151 ( 6.138 1.795 -1.069) 6.484 38.230 ( -5.755 4.537 0.338) 7.336 38.686 ( -9.111 4.058 -0.183) 9.976 40.131 ( -15.119 -12.359 -7.461) 20.905 41.145 ( 10.199 -0.587 8.923) 13.565 ======================= Grid point 22 (16/189) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -18.482 -3.668 1.054) 18.872 2.263 ( -10.653 9.494 -5.422) 15.265 2.529 ( -17.939 3.432 -1.955) 18.368 2.791 ( -0.121 2.151 -3.138) 3.806 3.674 ( 0.087 2.917 3.119) 4.271 3.795 ( -11.652 1.220 -6.505) 13.401 4.472 ( -14.059 -2.005 6.177) 15.487 4.820 ( -15.994 0.389 -7.205) 17.546 5.581 ( -27.762 -22.310 0.906) 35.627 6.000 ( -2.680 -2.878 2.023) 4.422 7.049 ( -18.012 -1.763 4.504) 18.650 7.298 ( -8.353 0.295 10.590) 13.491 8.190 ( -7.180 -13.333 -5.529) 16.121 8.729 ( -7.658 -4.214 -1.913) 8.948 9.154 ( -20.130 -1.285 -6.142) 21.085 9.325 ( -14.579 -8.282 -0.803) 16.786 11.270 ( -8.126 -1.338 2.340) 8.561 13.184 ( 3.445 0.532 -0.732) 3.562 13.713 ( 20.771 7.436 0.502) 22.068 13.795 ( 19.979 4.808 -1.258) 20.588 14.953 ( -2.158 4.542 -3.466) 6.108 15.556 ( 13.513 5.332 9.053) 17.117 18.327 ( 14.566 0.029 -1.446) 14.638 21.087 ( 2.307 -1.499 -1.301) 3.044 21.213 ( 2.186 -2.878 0.756) 3.692 21.275 ( 2.579 -2.445 -2.530) 4.362 21.522 ( -1.962 0.509 -0.948) 2.237 21.879 ( -3.507 5.984 0.649) 6.967 22.696 ( 3.203 1.122 2.948) 4.495 30.439 ( -4.409 -1.430 0.422) 4.654 30.789 ( -1.109 -0.314 1.711) 2.063 32.288 ( 7.918 2.263 -2.100) 8.498 38.160 ( -6.382 2.171 -0.052) 6.741 38.552 ( -9.460 1.591 0.232) 9.596 39.687 ( -21.118 -10.694 -5.187) 24.233 41.318 ( 7.321 -0.403 8.453) 11.190 ======================= Grid point 23 (17/189) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -20.712 -4.824 -3.658) 21.579 2.007 ( -23.914 1.176 2.595) 24.083 2.113 ( -29.173 -1.076 -9.421) 30.676 2.710 ( -13.839 -5.558 -1.494) 14.988 3.467 ( -15.702 5.376 0.966) 16.624 3.668 ( -17.534 -10.042 -1.118) 20.237 4.270 ( -11.389 6.585 13.178) 18.621 4.549 ( -10.529 -3.235 -12.770) 16.865 4.869 ( -23.691 -13.907 0.150) 27.472 5.857 ( -12.058 -4.260 -2.786) 13.088 6.746 ( -15.612 -1.908 3.187) 16.048 7.305 ( 1.504 3.611 14.184) 14.713 7.979 ( -3.938 -6.106 -9.709) 12.126 8.514 ( -13.728 -2.847 -0.159) 14.021 8.832 ( -13.095 -0.651 -0.219) 13.113 9.074 ( -8.686 -2.684 -2.616) 9.460 11.108 ( -8.874 -1.201 0.757) 8.987 13.206 ( 0.170 -0.170 -1.157) 1.182 14.110 ( 17.909 4.373 -0.515) 18.442 14.177 ( 19.363 2.891 0.159) 19.579 14.906 ( -4.667 0.618 -1.300) 4.884 15.882 ( 15.078 4.036 6.513) 16.913 18.594 ( 15.446 1.699 -0.697) 15.555 21.096 ( -0.038 0.076 -0.554) 0.560 21.253 ( 3.414 0.070 0.908) 3.534 21.300 ( 4.864 -3.020 -1.758) 5.990 21.479 ( -3.076 0.141 -1.130) 3.280 21.882 ( -0.970 2.542 0.190) 2.727 22.741 ( -0.081 0.231 1.239) 1.263 30.387 ( -0.890 -0.203 0.270) 0.952 30.767 ( -1.704 -0.327 1.601) 2.361 32.441 ( 8.507 1.718 -2.508) 9.034 38.063 ( -6.086 0.299 -0.390) 6.106 38.411 ( -8.043 0.193 0.519) 8.062 39.186 ( -25.439 -6.840 -2.460) 26.457 41.446 ( 4.755 0.007 7.219) 8.645 ======================= Grid point 24 (18/189) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( -20.415 0.000 0.000) 20.415 1.444 ( -40.264 0.000 0.000) 40.264 1.592 ( -27.112 0.000 0.000) 27.112 2.192 ( -39.028 0.000 0.000) 39.028 2.734 ( -64.468 0.000 0.000) 64.468 3.581 ( 7.242 -0.000 -0.000) 7.242 4.069 ( -17.526 0.000 0.000) 17.526 4.351 ( -4.603 0.000 0.000) 4.603 4.736 ( 5.781 -0.000 -0.000) 5.781 5.540 ( -19.409 0.000 0.000) 19.409 6.533 ( -8.946 0.000 0.000) 8.946 7.446 ( 7.821 -0.000 -0.000) 7.821 7.869 ( -3.073 0.000 0.000) 3.073 8.252 ( -13.659 0.000 0.000) 13.659 8.680 ( -6.096 0.000 0.000) 6.096 8.939 ( -5.292 0.000 0.000) 5.292 10.974 ( -6.093 0.000 0.000) 6.093 13.196 ( -0.626 0.000 0.000) 0.626 14.391 ( 12.690 -0.000 -0.000) 12.690 14.475 ( 13.479 -0.000 -0.000) 13.479 14.816 ( -5.367 0.000 0.000) 5.367 16.155 ( 12.351 -0.000 -0.000) 12.351 18.846 ( 12.483 -0.000 -0.000) 12.483 21.092 ( -0.219 0.000 0.000) 0.219 21.310 ( 2.718 -0.000 -0.000) 2.718 21.370 ( 4.019 -0.000 -0.000) 4.019 21.423 ( -2.227 0.000 0.000) 2.227 21.912 ( 3.490 -0.000 -0.000) 3.490 22.701 ( -4.669 0.000 0.000) 4.669 30.399 ( 1.946 -0.000 -0.000) 1.946 30.740 ( -1.583 0.000 0.000) 1.583 32.585 ( 7.781 -0.000 -0.000) 7.781 37.970 ( -4.549 0.000 0.000) 4.549 38.295 ( -5.592 0.000 0.000) 5.592 38.712 ( -24.431 0.000 0.000) 24.431 41.526 ( 2.853 -0.000 -0.000) 2.853 ======================= Grid point 27 (19/189) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -0.000 10.867 24.416) 26.725 1.696 ( -0.000 24.309 20.202) 31.608 1.828 ( 0.000 33.033 5.532) 33.493 2.514 ( -0.000 29.418 13.028) 32.174 2.956 ( 0.000 49.594 -1.480) 49.616 3.632 ( 0.000 6.030 1.374) 6.185 4.152 ( 0.000 15.650 -8.551) 17.834 4.349 ( -0.000 3.993 11.150) 11.844 4.729 ( 0.000 7.946 -2.878) 8.451 5.591 ( 0.000 7.678 -4.430) 8.864 6.502 ( 0.000 10.646 -11.298) 15.524 7.414 ( 0.000 8.448 -13.402) 15.842 7.807 ( -0.000 -2.656 2.940) 3.962 8.379 ( 0.000 13.882 2.888) 14.179 8.667 ( 0.000 5.439 -3.021) 6.222 9.026 ( -0.000 7.765 7.232) 10.611 11.000 ( 0.000 6.525 -0.931) 6.591 13.238 ( -0.000 -2.016 5.627) 5.977 14.296 ( -0.000 -15.339 -0.982) 15.371 14.416 ( -0.000 -14.794 0.786) 14.815 14.831 ( 0.000 4.261 0.350) 4.275 16.080 ( 0.000 -5.451 -8.319) 9.946 18.763 ( -0.000 -13.859 -0.810) 13.883 21.120 ( -0.000 -1.766 3.493) 3.914 21.306 ( -0.000 -2.567 1.176) 2.824 21.367 ( 0.000 -3.604 -1.315) 3.836 21.409 ( 0.000 2.118 -0.741) 2.244 21.838 ( 0.000 -2.913 -3.888) 4.858 22.732 ( 0.000 3.996 0.465) 4.023 30.391 ( 0.000 -1.067 -0.314) 1.112 30.690 ( 0.000 1.806 -6.665) 6.905 32.679 ( -0.000 -13.385 16.680) 21.386 37.972 ( 0.000 4.012 -0.814) 4.093 38.332 ( 0.000 5.652 0.963) 5.734 38.847 ( 0.000 26.483 1.141) 26.507 41.249 ( 0.000 11.866 -36.293) 38.183 ======================= Grid point 28 (20/189) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 4.623 9.449 20.075) 22.665 2.037 ( 6.176 24.152 12.082) 27.702 2.338 ( 20.139 24.457 16.363) 35.657 2.751 ( 0.726 9.313 5.617) 10.900 3.467 ( 14.152 16.782 0.428) 21.957 3.714 ( -3.463 17.437 4.724) 18.394 4.252 ( 0.097 10.571 -11.816) 15.855 4.581 ( 11.829 8.463 13.710) 19.987 4.867 ( 0.804 26.417 -0.402) 26.432 5.695 ( 7.846 4.070 -13.505) 16.140 6.627 ( 5.522 14.605 -13.254) 20.481 7.361 ( -11.061 12.474 -7.640) 18.339 7.911 ( 8.977 0.118 1.730) 9.143 8.539 ( 2.017 12.127 1.149) 12.347 8.800 ( 9.010 10.554 1.871) 14.002 9.158 ( 2.016 9.327 7.257) 11.988 11.094 ( 2.941 8.417 -1.957) 9.128 13.232 ( -0.338 -2.131 3.300) 3.943 14.094 ( -4.209 -18.019 -0.824) 18.522 14.186 ( -7.885 -18.160 0.600) 19.807 14.908 ( 4.101 2.812 1.418) 5.171 15.904 ( -9.607 -7.558 -4.826) 13.141 18.573 ( -5.194 -14.785 -0.611) 15.683 21.112 ( -0.047 -1.895 1.811) 2.622 21.257 ( -3.982 -2.410 -1.072) 4.776 21.287 ( -1.773 -3.767 1.225) 4.339 21.462 ( 3.298 1.754 -0.471) 3.765 21.852 ( 3.868 0.180 -2.626) 4.679 22.751 ( -1.450 1.063 -0.346) 1.831 30.388 ( 0.041 1.277 -0.234) 1.299 30.697 ( 1.186 2.164 -6.767) 7.203 32.557 ( -4.770 -11.738 11.613) 17.187 38.051 ( 4.074 4.842 -0.589) 6.356 38.424 ( 3.212 7.251 0.611) 7.954 39.198 ( 9.273 24.476 3.742) 26.439 41.230 ( -0.917 5.753 -25.215) 25.879 ======================= Grid point 29 (21/189) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 6.526 8.020 13.981) 17.390 2.414 ( 6.196 19.139 8.822) 21.967 2.779 ( -1.879 0.298 6.190) 6.476 2.930 ( 11.109 16.803 17.430) 26.637 3.677 ( 2.316 7.049 -1.605) 7.591 3.887 ( 4.639 2.760 6.223) 8.238 4.382 ( 6.164 21.002 -9.906) 24.025 4.911 ( 13.227 8.014 9.654) 18.231 5.268 ( 10.974 26.269 -6.665) 29.239 5.815 ( 8.343 2.859 -10.662) 13.837 6.885 ( 11.456 17.571 -14.031) 25.236 7.325 ( -5.280 14.953 -2.839) 16.110 8.043 ( 6.086 -0.473 0.553) 6.130 8.704 ( 5.997 7.477 2.991) 10.041 9.168 ( 15.238 15.008 4.692) 21.896 9.316 ( 2.734 10.223 5.829) 12.081 11.235 ( 3.545 8.624 -2.902) 9.765 13.197 ( -1.681 -3.880 1.166) 4.386 13.784 ( -11.356 -18.074 -1.344) 21.388 13.842 ( -9.219 -19.054 1.092) 21.195 15.018 ( 4.790 2.268 2.451) 5.839 15.614 ( -13.807 -6.168 -3.299) 15.477 18.313 ( -7.186 -15.342 -0.140) 16.942 21.061 ( -2.012 -6.684 0.357) 6.990 21.181 ( -0.722 -0.504 0.244) 0.914 21.267 ( 0.733 -1.864 2.164) 2.949 21.525 ( 2.013 1.627 -0.896) 2.739 21.925 ( 2.576 4.205 -1.647) 5.199 22.697 ( -3.704 -1.730 -1.872) 4.496 30.427 ( 1.733 3.969 0.046) 4.331 30.723 ( 1.884 1.998 -5.657) 6.289 32.387 ( -6.271 -9.560 6.945) 13.377 38.182 ( 4.313 6.748 -0.575) 8.029 38.583 ( 5.051 10.072 0.368) 11.274 39.621 ( 13.614 16.667 6.769) 22.560 41.143 ( -3.473 -0.763 -17.559) 17.915 ======================= Grid point 30 (22/189) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 6.431 6.788 6.647) 11.473 2.555 ( -10.237 8.368 8.728) 15.843 2.814 ( 2.457 5.820 3.130) 7.050 3.107 ( -10.295 10.083 10.442) 17.796 3.696 ( -0.354 1.234 6.267) 6.397 4.112 ( 11.271 6.248 3.413) 13.331 4.677 ( 4.412 19.891 -6.521) 21.393 5.217 ( 6.575 6.483 3.294) 9.804 5.544 ( 6.158 13.358 -15.431) 21.318 6.085 ( 16.674 15.188 -0.676) 22.564 7.194 ( 7.186 15.431 -10.939) 20.234 7.480 ( 6.631 12.391 2.452) 14.266 8.172 ( 14.415 -1.690 -2.301) 14.695 8.901 ( 6.699 6.473 5.694) 10.917 9.471 ( 7.259 5.363 2.339) 9.323 9.578 ( 12.221 10.074 5.112) 16.643 11.292 ( -2.617 -1.124 -2.810) 4.001 13.076 ( -6.013 -9.644 -0.339) 11.370 13.422 ( -10.655 -11.193 -1.475) 15.524 13.559 ( -5.870 -10.151 1.448) 11.815 15.120 ( 1.636 3.890 3.606) 5.551 15.319 ( -13.836 -2.244 -3.280) 14.395 18.051 ( -4.719 -16.385 0.381) 17.055 20.963 ( 0.747 -9.833 0.559) 9.877 21.192 ( 0.796 0.812 0.541) 1.259 21.273 ( 0.592 -1.428 2.198) 2.687 21.555 ( 0.047 2.072 -1.296) 2.445 22.000 ( -0.291 7.725 -1.307) 7.840 22.598 ( -3.682 -2.931 -2.358) 5.264 30.520 ( 3.509 5.201 0.347) 6.284 30.754 ( 1.571 1.166 -3.715) 4.198 32.217 ( -5.784 -7.383 3.521) 10.018 38.311 ( 1.635 9.123 -0.724) 9.297 38.778 ( 3.571 13.184 0.401) 13.665 40.012 ( 15.399 6.955 8.625) 18.971 40.980 ( -5.018 -6.540 -13.259) 15.613 ======================= Grid point 31 (23/189) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 5.926 5.430 1.094) 8.112 2.438 ( -14.451 8.241 9.644) 19.229 2.829 ( -15.807 15.141 3.752) 22.208 3.049 ( 0.414 -2.323 5.351) 5.848 3.768 ( 0.955 5.052 -1.764) 5.436 4.299 ( 5.839 0.488 2.240) 6.273 4.854 ( -1.781 15.953 -4.766) 16.744 5.215 ( -8.058 4.415 -0.053) 9.188 5.775 ( 3.010 19.727 -3.483) 20.257 6.558 ( 16.445 17.680 -1.455) 24.190 7.321 ( 0.349 4.400 -6.108) 7.536 7.652 ( 0.125 6.530 3.663) 7.488 8.559 ( 26.403 4.989 -4.534) 27.250 9.083 ( 7.056 3.977 5.595) 9.844 9.588 ( 1.128 -6.539 2.077) 6.953 9.856 ( 16.357 1.136 0.524) 16.405 11.062 ( -9.765 -20.024 -0.202) 22.280 12.834 ( -7.505 -10.176 -1.262) 12.707 13.242 ( -4.675 0.937 -1.488) 4.995 13.484 ( 0.046 0.980 1.584) 1.864 15.032 ( -16.455 7.314 2.016) 18.120 15.231 ( 1.934 2.539 -1.344) 3.464 17.856 ( 1.184 -16.838 0.741) 16.896 20.902 ( 4.138 -11.489 -0.184) 12.213 21.213 ( 0.077 1.043 0.592) 1.202 21.270 ( 0.073 -1.247 1.227) 1.751 21.565 ( -1.158 2.819 -0.616) 3.109 22.054 ( -2.980 9.781 -1.457) 10.328 22.519 ( -1.378 -2.484 -0.870) 2.971 30.635 ( 3.836 4.397 0.324) 5.844 30.765 ( -0.042 -0.049 -1.696) 1.697 32.084 ( -3.420 -4.785 1.348) 6.035 38.403 ( -2.068 10.638 -0.500) 10.849 38.941 ( -1.509 15.024 0.326) 15.104 40.333 ( 15.567 -1.951 8.525) 17.856 40.768 ( -4.632 -9.996 -10.294) 15.078 ======================= Grid point 32 (24/189) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 3.540 1.063 -0.903) 3.805 2.330 ( -13.843 13.963 10.171) 22.136 2.757 ( -12.018 20.048 6.530) 24.269 3.044 ( 0.238 -5.105 0.657) 5.153 3.733 ( -3.578 -2.027 -14.331) 14.909 4.364 ( 0.376 -0.733 2.862) 2.978 4.895 ( -7.331 15.126 -9.223) 19.173 5.176 ( -5.942 11.010 6.961) 14.317 5.943 ( -4.385 15.251 5.597) 16.827 6.835 ( -5.525 11.761 -1.343) 13.063 7.301 ( 3.324 -4.134 -2.576) 5.897 7.689 ( -3.559 5.464 2.301) 6.915 8.861 ( -2.403 9.887 -1.917) 10.354 9.295 ( 2.238 -23.114 -2.617) 23.369 9.355 ( 6.415 -5.577 -0.249) 8.504 10.109 ( 4.508 -4.661 1.248) 6.603 10.782 ( 11.378 -20.001 2.242) 23.120 12.709 ( 1.839 -2.207 -0.985) 3.037 13.227 ( -1.549 5.533 0.727) 5.791 13.494 ( -2.962 1.995 -1.007) 3.711 14.912 ( -9.193 14.242 0.771) 16.969 15.273 ( -0.262 2.692 0.606) 2.772 17.780 ( 7.938 -14.445 0.638) 16.495 20.873 ( 6.135 -11.626 -1.762) 13.263 21.218 ( -0.894 1.247 0.771) 1.718 21.261 ( -0.073 -1.169 -0.273) 1.203 21.572 ( -1.288 2.995 0.489) 3.297 22.076 ( -4.999 9.494 -1.494) 10.833 22.505 ( 1.652 -0.981 1.497) 2.436 30.713 ( -0.742 0.693 -0.018) 1.015 30.746 ( 0.560 0.593 -0.212) 0.843 32.029 ( 0.611 -1.926 0.293) 2.042 38.441 ( -5.520 10.110 -0.002) 11.518 39.004 ( -8.036 13.713 0.182) 15.895 40.425 ( -1.121 -14.037 -4.292) 14.721 40.708 ( 11.774 -3.408 3.592) 12.773 ======================= Grid point 33 (25/189) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( -9.555 -2.042 3.837) 10.497 2.362 ( -3.371 15.893 4.607) 16.887 2.861 ( -5.263 21.181 6.387) 22.740 2.944 ( -3.873 -5.881 -5.132) 8.714 3.577 ( -2.102 -5.485 -12.198) 13.538 4.278 ( -9.965 0.059 -2.703) 10.325 4.891 ( -9.105 15.081 -1.470) 17.678 5.223 ( -4.627 9.906 1.040) 10.983 5.954 ( -10.100 6.500 10.578) 16.005 6.567 ( -21.876 -9.459 -1.207) 23.864 7.372 ( 0.706 5.449 0.741) 5.544 7.642 ( -8.249 3.881 1.183) 9.193 8.598 ( -17.153 -24.167 -1.145) 29.658 8.966 ( -7.481 -2.686 -4.489) 9.129 9.529 ( 3.138 -1.178 -3.055) 4.535 9.864 ( -12.379 -15.690 1.393) 20.034 11.095 ( 24.400 -2.054 2.560) 24.620 12.841 ( 12.745 1.545 -0.629) 12.854 13.288 ( 1.543 5.733 2.796) 6.563 13.433 ( -1.392 0.084 -3.161) 3.455 14.988 ( -1.228 15.344 -1.693) 15.486 15.291 ( 1.020 0.210 3.759) 3.901 17.848 ( 13.153 -8.801 0.026) 15.826 20.877 ( 7.470 -9.064 -2.343) 11.977 21.212 ( -1.084 0.150 0.471) 1.191 21.246 ( -0.248 -0.349 -0.863) 0.963 21.579 ( -1.365 2.227 0.614) 2.683 22.060 ( -5.942 7.274 -0.793) 9.426 22.559 ( 3.904 0.237 2.552) 4.669 30.634 ( -5.643 -1.463 0.165) 5.832 30.786 ( 1.345 0.766 0.164) 1.557 32.066 ( 4.556 0.083 -0.179) 4.560 38.412 ( -7.890 7.255 0.283) 10.722 38.938 ( -12.563 9.023 0.108) 15.467 40.182 ( -7.917 -12.324 -5.622) 15.690 40.937 ( 14.576 -2.823 5.499) 15.832 ======================= Grid point 34 (26/189) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -17.926 -1.571 2.579) 18.179 2.490 ( -1.857 13.004 1.882) 13.270 2.728 ( -8.678 -7.192 -3.703) 11.864 2.945 ( -10.405 10.787 -1.074) 15.026 3.580 ( 9.743 0.031 -1.822) 9.912 4.045 ( -15.167 -0.020 -3.646) 15.599 4.816 ( -17.703 12.962 4.498) 22.397 5.105 ( -15.609 -2.058 -5.048) 16.533 5.817 ( -16.584 -1.617 8.506) 18.708 6.068 ( -15.107 -11.453 -3.446) 19.268 7.347 ( -12.885 5.403 1.840) 14.093 7.496 ( -10.748 0.489 4.143) 11.529 8.141 ( -7.287 -16.885 -3.629) 18.745 8.824 ( -7.723 0.086 -1.759) 7.921 9.417 ( -11.935 0.460 -2.350) 12.173 9.517 ( -15.725 -8.017 0.037) 17.651 11.342 ( 3.057 0.101 1.574) 3.440 13.075 ( 10.744 0.664 -0.377) 10.771 13.458 ( 13.902 3.779 1.831) 14.522 13.520 ( 12.712 0.738 -2.086) 12.903 15.051 ( -4.106 6.212 -2.462) 7.843 15.405 ( 10.323 1.446 4.471) 11.342 18.043 ( 16.144 -2.826 -0.404) 16.394 20.940 ( 8.556 -4.382 -1.411) 9.715 21.189 ( -1.122 -0.623 0.155) 1.292 21.241 ( 0.060 -0.205 -0.710) 0.741 21.568 ( -2.025 1.182 0.071) 2.346 22.014 ( -5.732 3.805 -0.074) 6.881 22.646 ( 4.537 0.461 1.750) 4.884 30.519 ( -6.056 -0.897 0.176) 6.124 30.802 ( -0.012 0.078 0.395) 0.403 32.170 ( 6.990 0.640 -0.449) 7.034 38.321 ( -8.795 3.173 0.136) 9.351 38.775 ( -13.281 3.492 0.131) 13.733 39.888 ( -14.095 -6.729 -3.050) 15.913 41.162 ( 12.136 -1.292 3.493) 12.694 ======================= Grid point 35 (27/189) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -21.681 0.000 0.000) 21.681 2.397 ( -18.098 0.000 0.000) 18.098 2.522 ( -16.133 0.000 0.000) 16.133 2.805 ( -5.728 0.000 0.000) 5.728 3.758 ( 4.725 -0.000 -0.000) 4.725 3.766 ( -16.216 0.000 0.000) 16.216 4.557 ( -18.896 0.000 0.000) 18.896 4.740 ( -18.687 0.000 0.000) 18.687 5.325 ( -32.888 0.000 0.000) 32.888 5.947 ( -2.072 0.000 0.000) 2.072 7.058 ( -20.331 0.000 0.000) 20.331 7.381 ( -5.164 0.000 0.000) 5.164 7.984 ( -3.185 0.000 0.000) 3.185 8.687 ( -8.456 0.000 0.000) 8.456 9.137 ( -21.553 0.000 0.000) 21.553 9.224 ( -11.184 0.000 0.000) 11.184 11.267 ( -9.152 0.000 0.000) 9.152 13.184 ( 2.811 -0.000 -0.000) 2.811 13.809 ( 19.540 -0.000 -0.000) 19.540 13.820 ( 22.813 -0.000 -0.000) 22.813 14.992 ( -4.899 0.000 0.000) 4.899 15.649 ( 15.122 -0.000 -0.000) 15.122 18.317 ( 17.093 -0.000 -0.000) 17.093 21.055 ( 6.200 -0.000 -0.000) 6.200 21.181 ( 1.744 -0.000 -0.000) 1.744 21.242 ( 0.738 -0.000 -0.000) 0.738 21.533 ( -2.844 0.000 0.000) 2.844 21.945 ( -4.330 0.000 0.000) 4.330 22.719 ( 3.048 -0.000 -0.000) 3.048 30.427 ( -4.007 0.000 0.000) 4.007 30.793 ( -1.094 0.000 0.000) 1.094 32.303 ( 8.136 -0.000 -0.000) 8.136 38.189 ( -8.145 0.000 0.000) 8.145 38.579 ( -11.192 0.000 0.000) 11.192 39.550 ( -21.123 0.000 0.000) 21.123 41.340 ( 8.670 -0.000 -0.000) 8.670 ======================= Grid point 40 (28/189) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -0.000 7.966 10.854) 13.464 2.215 ( -0.000 13.052 25.303) 28.471 2.423 ( 0.000 19.991 4.664) 20.528 2.815 ( -0.000 1.013 5.029) 5.130 3.495 ( 0.000 13.955 1.604) 14.047 3.905 ( -0.000 3.728 9.936) 10.613 4.282 ( 0.000 7.363 -10.458) 12.790 4.682 ( -0.000 18.929 15.439) 24.426 5.187 ( 0.000 37.086 -2.338) 37.159 5.615 ( 0.000 6.756 -21.040) 22.098 6.680 ( 0.000 15.698 -13.900) 20.968 7.626 ( 0.000 14.820 -1.309) 14.878 7.823 ( 0.000 5.976 -2.356) 6.424 8.692 ( 0.000 15.087 3.721) 15.539 8.788 ( 0.000 8.957 0.999) 9.012 9.282 ( -0.000 13.383 7.201) 15.197 11.150 ( 0.000 9.938 -2.260) 10.191 13.221 ( -0.000 -2.833 2.087) 3.519 13.929 ( -0.000 -20.821 -0.908) 20.840 14.072 ( -0.000 -20.641 1.056) 20.668 14.882 ( -0.000 -0.343 1.066) 1.120 15.887 ( -0.000 -10.504 -2.007) 10.693 18.481 ( -0.000 -13.238 0.213) 13.239 21.091 ( -0.000 -2.718 0.305) 2.735 21.268 ( -0.000 -1.956 1.031) 2.211 21.307 ( 0.000 -1.462 -0.682) 1.614 21.438 ( 0.000 1.737 -1.355) 2.203 21.783 ( 0.000 -1.060 -2.622) 2.828 22.777 ( -0.000 0.457 0.352) 0.577 30.407 ( 0.000 3.038 0.022) 3.038 30.685 ( 0.000 2.416 -6.706) 7.128 32.514 ( -0.000 -12.604 9.925) 16.043 38.051 ( 0.000 4.437 -0.870) 4.521 38.459 ( 0.000 6.249 1.024) 6.332 39.394 ( 0.000 26.166 3.850) 26.447 41.226 ( 0.000 6.088 -21.172) 22.030 ======================= Grid point 41 (29/189) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 5.668 5.682 7.737) 11.147 2.487 ( 8.181 9.719 14.484) 19.266 2.724 ( 13.589 -0.377 6.502) 15.069 2.889 ( 6.669 11.554 12.805) 18.492 3.665 ( 6.216 4.997 -2.720) 8.426 3.894 ( -3.110 -4.254 11.648) 12.784 4.373 ( 7.422 8.484 -9.152) 14.520 4.921 ( 1.534 15.407 7.896) 17.380 5.529 ( -2.341 34.261 -6.000) 34.861 5.699 ( 7.199 13.289 -12.158) 19.397 6.840 ( 6.753 15.400 -14.611) 22.276 7.619 ( -10.316 13.265 0.175) 16.805 7.995 ( 4.784 9.974 -2.247) 11.288 8.754 ( -2.263 8.583 4.402) 9.908 9.086 ( 13.083 15.579 3.158) 20.587 9.448 ( -0.447 15.636 5.753) 16.666 11.267 ( 2.162 10.241 -2.425) 10.744 13.181 ( -1.121 -5.224 0.560) 5.372 13.699 ( -2.586 -20.165 -0.999) 20.355 13.796 ( -7.303 -21.215 1.083) 22.463 14.922 ( 5.907 -2.673 1.269) 6.606 15.713 ( -6.745 -9.967 -0.873) 12.067 18.304 ( -6.892 -11.435 0.753) 13.372 21.044 ( -2.350 -4.802 -0.808) 5.407 21.224 ( -4.418 -0.360 -0.181) 4.436 21.257 ( -0.208 -0.772 1.636) 1.821 21.491 ( 3.122 1.878 -0.971) 3.771 21.843 ( 7.522 0.036 -2.172) 7.830 22.745 ( -3.483 -1.073 -0.455) 3.673 30.453 ( 0.681 5.194 0.408) 5.254 30.697 ( 1.165 2.317 -5.811) 6.363 32.393 ( -3.420 -11.215 6.690) 13.499 38.143 ( 5.534 4.769 -0.765) 7.345 38.573 ( 5.571 7.111 0.782) 9.067 39.684 ( 3.906 20.959 5.409) 21.995 41.170 ( -4.511 2.608 -15.904) 16.736 ======================= Grid point 42 (30/189) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 6.873 3.586 4.642) 9.036 2.708 ( 8.025 -4.888 1.796) 9.566 2.809 ( -2.849 9.810 13.151) 16.652 3.317 ( 10.103 8.328 17.144) 21.572 3.698 ( -1.384 -2.604 5.805) 6.511 3.948 ( 10.833 1.738 -0.061) 10.972 4.626 ( 16.662 4.860 -13.124) 21.760 5.100 ( 4.512 9.165 0.047) 10.215 5.731 ( -2.676 29.320 -11.120) 31.472 6.027 ( 11.223 19.000 3.751) 22.383 7.120 ( 13.754 15.323 -12.811) 24.251 7.609 ( -4.867 11.941 1.292) 12.959 8.091 ( -2.720 8.084 -1.677) 8.693 8.873 ( 5.463 6.431 5.633) 10.146 9.430 ( 9.227 9.405 2.999) 13.512 9.598 ( -0.956 13.443 3.498) 13.924 11.333 ( -3.251 0.970 -2.025) 3.952 13.057 ( -4.256 -11.771 -0.604) 12.532 13.441 ( -6.396 -13.576 -1.941) 15.132 13.529 ( -2.852 -11.451 1.823) 11.941 15.029 ( 8.694 -2.083 0.961) 8.991 15.498 ( -8.781 -5.344 0.410) 10.288 18.038 ( -10.648 -11.794 0.320) 15.893 20.912 ( -4.481 -7.315 -0.023) 8.578 21.198 ( -0.179 1.123 0.556) 1.266 21.263 ( 0.464 -0.254 1.763) 1.840 21.550 ( 2.088 1.951 -1.236) 3.113 21.984 ( 7.659 2.320 -1.372) 8.119 22.645 ( -5.534 -1.941 -1.746) 6.119 30.534 ( 1.811 6.171 0.786) 6.479 30.725 ( 1.660 1.646 -4.231) 4.834 32.240 ( -4.662 -8.905 3.697) 10.710 38.308 ( 7.223 6.271 -0.744) 9.595 38.786 ( 9.085 9.784 0.480) 13.361 39.947 ( 5.427 11.411 6.844) 14.370 41.011 ( -8.650 -2.215 -11.875) 14.858 ======================= Grid point 43 (31/189) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 6.651 1.996 1.387) 7.081 2.702 ( -4.039 0.794 4.382) 6.012 2.926 ( 1.970 3.216 7.034) 7.982 3.329 ( -14.867 5.532 13.197) 20.635 3.780 ( 3.451 2.382 2.384) 4.824 4.148 ( 9.975 -1.261 -2.725) 10.417 4.899 ( 14.097 3.699 -5.705) 15.652 5.234 ( 3.062 4.311 -4.692) 7.069 5.986 ( 0.421 31.232 -6.915) 31.991 6.476 ( 17.884 19.788 4.983) 27.133 7.383 ( 0.509 10.672 -9.308) 14.170 7.755 ( 5.421 12.883 4.058) 14.554 8.141 ( 9.835 2.686 -2.422) 10.479 9.076 ( 7.720 5.496 5.126) 10.775 9.597 ( 0.179 8.428 -1.272) 8.525 9.650 ( 0.869 -5.947 3.537) 6.974 11.082 ( -14.762 -19.196 -0.460) 24.220 12.831 ( -5.819 -12.644 -1.151) 13.966 13.294 ( -2.135 -0.649 -2.411) 3.285 13.478 ( 1.963 -0.251 2.085) 2.875 15.169 ( 7.424 1.161 0.020) 7.514 15.327 ( -9.485 1.510 1.749) 9.762 17.746 ( -7.895 -13.716 -0.180) 15.827 20.781 ( -1.695 -8.253 0.497) 8.440 21.217 ( 0.596 1.099 0.484) 1.341 21.270 ( -0.112 -0.316 1.183) 1.230 21.593 ( 0.807 2.525 -0.721) 2.748 22.120 ( 4.302 4.601 -0.485) 6.318 22.531 ( -4.103 -1.967 -2.103) 5.013 30.631 ( 2.419 5.180 0.791) 5.771 30.750 ( 1.140 0.640 -2.374) 2.710 32.099 ( -3.925 -6.061 1.587) 7.393 38.483 ( 4.552 8.234 -0.613) 9.428 39.050 ( 7.244 13.533 0.163) 15.351 40.138 ( 7.567 0.368 7.228) 10.471 40.768 ( -9.790 -6.540 -9.060) 14.856 ======================= Grid point 44 (32/189) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 5.580 0.506 -0.263) 5.610 2.658 ( -7.363 7.269 5.147) 11.556 2.969 ( 0.583 -2.199 2.262) 3.208 3.193 ( -13.955 9.388 16.279) 23.407 3.734 ( -5.382 -2.119 -17.532) 18.462 4.279 ( 7.869 -2.076 3.530) 8.871 5.090 ( 0.443 8.792 0.598) 8.824 5.278 ( 2.402 2.259 -3.886) 5.097 6.240 ( -3.667 26.089 -0.830) 26.359 7.008 ( 16.799 20.991 3.912) 27.169 7.276 ( -12.913 -3.383 -5.282) 14.356 7.862 ( -8.216 15.253 2.621) 17.522 8.593 ( 34.444 1.525 -3.251) 34.631 9.127 ( -5.579 -16.345 0.589) 17.281 9.427 ( -13.172 3.809 1.848) 13.836 9.836 ( 19.779 -1.804 -1.097) 19.891 10.571 ( -12.955 -27.624 1.911) 30.570 12.667 ( -1.463 -5.489 -0.994) 5.766 13.287 ( -0.501 3.160 -0.819) 3.302 13.542 ( 0.847 3.048 0.483) 3.200 15.210 ( -8.998 8.460 1.160) 12.405 15.289 ( 2.191 2.865 0.322) 3.621 17.545 ( 1.240 -13.393 -0.036) 13.450 20.702 ( 1.675 -7.761 -0.296) 7.945 21.236 ( 0.234 0.754 0.435) 0.901 21.261 ( -0.707 -0.338 0.256) 0.825 21.619 ( -0.581 2.472 0.169) 2.545 22.202 ( -0.763 5.598 -0.590) 5.681 22.473 ( 0.288 -1.510 -0.571) 1.640 30.712 ( 2.030 2.920 0.361) 3.575 30.753 ( -0.584 -0.256 -0.804) 1.027 32.012 ( -1.310 -2.989 0.463) 3.296 38.599 ( -0.885 8.426 -0.231) 8.475 39.252 ( -1.623 15.335 0.157) 15.421 40.241 ( 5.868 -10.720 2.824) 12.543 40.559 ( -0.946 -5.233 -3.548) 6.392 ======================= Grid point 45 (33/189) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 1.584 -0.661 0.077) 1.719 2.631 ( -7.903 9.429 5.294) 13.394 2.916 ( -2.222 -5.307 -2.021) 6.098 3.176 ( -7.728 13.132 14.766) 21.218 3.514 ( -5.116 -7.652 -18.483) 20.648 4.353 ( 0.127 -0.968 1.163) 1.518 5.126 ( -3.796 9.780 -0.785) 10.521 5.327 ( -0.245 0.829 0.114) 0.872 6.334 ( -12.507 18.505 4.595) 22.803 6.872 ( -23.232 -10.555 -4.436) 25.900 7.424 ( 8.273 15.311 4.185) 17.899 7.838 ( -10.981 10.802 0.459) 15.410 8.597 ( -17.184 -31.431 -2.923) 35.941 9.053 ( 8.508 3.504 -3.076) 9.702 9.407 ( 3.603 8.226 0.832) 9.019 9.881 ( -8.345 -15.911 1.061) 17.998 10.554 ( 31.813 -4.430 1.084) 32.138 12.677 ( 6.343 -0.676 -0.467) 6.396 13.320 ( 1.017 2.568 0.904) 2.906 13.513 ( -6.274 0.701 -1.009) 6.393 15.184 ( -5.464 11.097 -0.145) 12.371 15.302 ( -1.765 -1.497 0.987) 2.516 17.549 ( 11.058 -7.351 0.149) 13.280 20.691 ( 4.875 -4.894 -0.825) 6.957 21.237 ( -1.190 0.196 0.467) 1.293 21.248 ( -0.221 -0.051 -0.390) 0.451 21.624 ( -1.310 1.486 0.347) 2.010 22.198 ( -4.241 3.505 -0.722) 5.549 22.502 ( 3.424 -0.309 0.844) 3.540 30.706 ( -3.699 -0.417 -0.061) 3.723 30.768 ( 1.689 0.794 0.046) 1.867 32.003 ( 2.277 -0.706 0.059) 2.385 38.604 ( -6.289 5.115 0.063) 8.106 39.256 ( -12.503 9.316 0.340) 15.595 40.137 ( -1.997 -9.674 -2.608) 10.216 40.667 ( 14.272 -2.327 2.066) 14.607 ======================= Grid point 46 (34/189) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -8.663 0.000 0.000) 8.663 2.594 ( -3.427 0.000 0.000) 3.427 2.805 ( -6.185 0.000 0.000) 6.185 3.179 ( -8.520 0.000 0.000) 8.520 3.411 ( 5.811 -0.000 -0.000) 5.811 4.259 ( -10.142 0.000 0.000) 10.142 5.166 ( -1.339 0.000 0.000) 1.339 5.220 ( -11.979 0.000 0.000) 11.979 6.192 ( -16.959 0.000 0.000) 16.959 6.329 ( -28.259 0.000 0.000) 28.259 7.568 ( -3.832 0.000 0.000) 3.832 7.681 ( -12.078 0.000 0.000) 12.078 8.161 ( -10.651 0.000 0.000) 10.651 8.984 ( -10.285 0.000 0.000) 10.285 9.580 ( 2.961 -0.000 -0.000) 2.961 9.615 ( -10.718 0.000 0.000) 10.718 11.091 ( 26.710 -0.000 -0.000) 26.710 12.851 ( 13.657 -0.000 -0.000) 13.657 13.380 ( 4.351 -0.000 -0.000) 4.351 13.400 ( -3.679 0.000 0.000) 3.679 15.173 ( -5.661 0.000 0.000) 5.661 15.285 ( 4.375 -0.000 -0.000) 4.375 17.750 ( 15.656 -0.000 -0.000) 15.656 20.772 ( 7.632 -0.000 -0.000) 7.632 21.212 ( -1.602 0.000 0.000) 1.602 21.243 ( -0.331 0.000 0.000) 0.331 21.606 ( -1.666 0.000 0.000) 1.666 22.130 ( -5.562 0.000 0.000) 5.562 22.572 ( 4.498 -0.000 -0.000) 4.498 30.619 ( -5.886 0.000 0.000) 5.886 30.794 ( 1.000 -0.000 -0.000) 1.000 32.067 ( 5.229 -0.000 -0.000) 5.229 38.495 ( -9.061 0.000 0.000) 9.061 39.048 ( -15.740 0.000 0.000) 15.740 40.019 ( -6.441 0.000 0.000) 6.441 40.922 ( 15.443 -0.000 -0.000) 15.443 ======================= Grid point 53 (35/189) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -0.000 3.638 3.174) 4.828 2.424 ( 0.000 -5.195 -7.582) 9.191 2.631 ( -0.000 1.929 28.715) 28.779 2.994 ( -0.000 10.182 9.789) 14.125 3.619 ( 0.000 1.606 -8.175) 8.332 3.918 ( -0.000 -6.752 15.851) 17.229 4.321 ( 0.000 2.249 -9.992) 10.242 5.084 ( -0.000 11.152 7.341) 13.351 5.738 ( 0.000 18.490 -5.568) 19.310 5.900 ( 0.000 34.130 -8.999) 35.297 6.858 ( 0.000 11.290 -15.302) 19.017 7.822 ( -0.000 3.274 9.211) 9.776 8.083 ( 0.000 22.292 -10.027) 24.443 8.934 ( -0.000 8.633 6.623) 10.881 9.105 ( 0.000 17.999 1.453) 18.058 9.656 ( 0.000 20.613 4.882) 21.183 11.350 ( 0.000 11.134 -1.785) 11.276 13.124 ( -0.000 -9.339 -0.628) 9.360 13.526 ( -0.000 -16.875 -0.548) 16.884 13.648 ( -0.000 -22.368 1.506) 22.419 14.820 ( -0.000 -6.343 0.887) 6.404 15.647 ( -0.000 -12.431 -1.227) 12.492 18.292 ( -0.000 -6.593 2.582) 7.080 21.026 ( 0.000 -3.086 -1.536) 3.447 21.246 ( -0.000 -1.058 0.880) 1.376 21.289 ( 0.000 -0.485 -0.224) 0.534 21.469 ( 0.000 2.561 -1.277) 2.862 21.742 ( 0.000 -1.664 -1.677) 2.363 22.766 ( -0.000 -1.384 0.125) 1.389 30.507 ( 0.000 6.405 0.720) 6.445 30.691 ( 0.000 2.285 -5.046) 5.539 32.331 ( -0.000 -10.936 4.966) 12.011 38.127 ( 0.000 3.652 -0.725) 3.723 38.580 ( 0.000 5.212 0.808) 5.274 39.883 ( 0.000 19.806 5.111) 20.454 41.194 ( 0.000 2.595 -12.694) 12.957 ======================= Grid point 54 (36/189) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 6.252 0.996 1.432) 6.491 2.443 ( 12.280 -9.435 -4.443) 16.111 2.904 ( 10.870 4.791 23.493) 26.326 3.173 ( 10.189 7.270 10.627) 16.420 3.645 ( 7.003 -1.149 -11.590) 13.590 3.888 ( -2.141 -4.054 15.927) 16.574 4.345 ( 7.414 -2.432 -15.111) 17.007 5.192 ( -0.892 9.975 3.289) 10.541 5.951 ( 3.865 18.067 2.673) 18.668 6.154 ( -0.628 25.418 -8.358) 26.765 6.987 ( 9.971 9.670 -13.429) 19.321 7.802 ( -7.028 3.052 6.022) 9.746 8.292 ( 0.040 21.386 -6.013) 22.215 8.958 ( -5.618 8.975 5.791) 12.068 9.374 ( 8.583 9.454 2.692) 13.050 9.846 ( -4.557 21.520 2.401) 22.128 11.414 ( -4.044 3.934 -0.788) 5.696 12.979 ( -2.268 -15.005 -1.491) 15.248 13.375 ( -2.064 -11.570 -1.856) 11.899 13.445 ( -0.017 -12.804 2.780) 13.102 14.831 ( 8.561 -6.525 0.910) 10.802 15.504 ( -2.229 -10.095 -1.161) 10.403 18.159 ( -10.536 -4.684 2.400) 11.778 20.946 ( -5.133 -3.881 -1.421) 6.590 21.225 ( -1.637 0.296 0.361) 1.702 21.263 ( -0.300 -0.077 1.306) 1.342 21.525 ( 2.621 2.173 -0.820) 3.502 21.815 ( 9.811 -1.252 -1.904) 10.072 22.714 ( -4.192 -1.488 -0.387) 4.465 30.580 ( 0.643 6.551 0.963) 6.652 30.705 ( 0.951 1.748 -3.742) 4.238 32.224 ( -2.430 -8.931 2.906) 9.702 38.220 ( 6.939 3.407 -0.619) 7.755 38.701 ( 8.107 5.153 0.596) 9.625 40.066 ( -0.666 13.783 5.144) 14.726 41.112 ( -7.138 0.411 -9.375) 11.790 ======================= Grid point 55 (37/189) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 7.362 0.176 0.718) 7.399 2.569 ( 11.846 -6.584 -1.416) 13.626 3.058 ( -3.535 5.599 11.139) 12.958 3.511 ( 8.256 0.900 17.026) 18.944 3.710 ( 4.377 0.832 -3.192) 5.480 3.980 ( 8.587 2.039 3.038) 9.334 4.457 ( 21.990 -7.102 -15.060) 27.583 5.274 ( -0.566 7.133 -0.136) 7.157 6.228 ( 4.369 21.885 -1.423) 22.362 6.378 ( 9.697 12.524 -0.115) 15.839 7.299 ( 18.480 10.822 -9.794) 23.548 7.717 ( -4.726 -2.504 5.415) 7.611 8.421 ( -9.819 25.623 -4.095) 27.744 9.010 ( 2.333 3.191 5.526) 6.795 9.505 ( 2.959 -5.537 2.118) 6.626 9.918 ( -10.981 18.866 -0.073) 21.829 11.180 ( -17.161 -15.309 0.150) 22.998 12.780 ( -3.391 -12.519 -1.289) 13.034 13.291 ( 0.594 -0.374 -2.771) 2.859 13.419 ( 4.170 -3.219 2.895) 6.011 14.982 ( 13.509 -2.546 1.144) 13.795 15.391 ( -1.602 -5.292 -0.567) 5.558 17.874 ( -16.711 -5.345 0.835) 17.564 20.796 ( -6.455 -4.205 -0.111) 7.704 21.223 ( -0.017 1.065 0.409) 1.141 21.271 ( 0.304 -0.157 1.111) 1.162 21.585 ( 2.357 1.942 -0.416) 3.082 21.992 ( 11.493 -0.258 -1.362) 11.577 22.608 ( -6.195 -0.794 -0.967) 6.320 30.656 ( 1.046 4.982 0.941) 5.177 30.728 ( 1.314 0.882 -2.252) 2.753 32.107 ( -3.267 -5.833 1.293) 6.810 38.405 ( 10.140 3.763 -0.497) 10.827 38.951 ( 14.043 6.198 0.287) 15.353 40.154 ( -2.131 5.564 4.717) 7.599 40.901 ( -12.835 -2.109 -6.446) 14.517 ======================= Grid point 56 (38/189) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 6.598 -0.019 0.061) 6.598 2.686 ( 6.698 -1.480 -0.299) 6.866 3.036 ( -5.955 2.161 4.733) 7.908 3.528 ( -9.120 3.270 18.852) 21.195 3.741 ( -3.395 -1.186 -16.859) 17.239 4.116 ( 9.295 -0.851 2.145) 9.577 4.867 ( 27.720 -1.236 -1.801) 27.805 5.293 ( -2.364 2.620 -2.192) 4.154 6.479 ( 2.465 18.445 -4.203) 19.078 6.762 ( 22.672 4.222 5.069) 23.612 7.471 ( -10.244 3.647 -5.644) 12.251 7.888 ( 30.477 -1.329 3.462) 30.702 8.463 ( -15.059 30.022 -1.673) 33.629 9.014 ( -2.486 -19.072 2.007) 19.338 9.479 ( 8.706 -6.072 1.251) 10.688 9.859 ( -15.243 16.163 -1.524) 22.269 10.629 ( -21.848 -22.109 1.091) 31.102 12.642 ( -1.995 -4.928 -0.633) 5.354 13.306 ( 0.359 1.537 -1.226) 1.999 13.516 ( 5.340 1.502 1.001) 5.637 15.206 ( 10.776 1.896 0.819) 10.972 15.340 ( -1.175 -0.711 0.030) 1.374 17.550 ( -13.213 -5.356 -0.102) 14.257 20.668 ( -3.828 -3.139 0.159) 4.953 21.236 ( 0.366 0.523 0.190) 0.666 21.271 ( -0.407 -0.122 0.375) 0.567 21.633 ( 1.217 1.356 -0.008) 1.822 22.166 ( 8.404 0.787 -0.220) 8.444 22.501 ( -4.900 -0.208 -0.872) 4.981 30.713 ( 1.132 2.258 0.448) 2.565 30.747 ( 0.804 0.183 -0.819) 1.162 32.018 ( -2.487 -2.452 0.367) 3.512 38.599 ( 7.562 3.380 -0.229) 8.286 39.264 ( 13.534 6.730 -0.052) 15.115 40.146 ( -2.004 -1.989 2.966) 4.095 40.629 ( -12.558 -2.632 -3.306) 13.250 ======================= Grid point 57 (39/189) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 5.228 -0.000 -0.000) 5.228 2.751 ( 0.584 -0.000 -0.000) 0.584 2.950 ( -5.390 0.000 0.000) 5.390 3.484 ( -6.735 0.000 0.000) 6.735 3.500 ( -12.191 0.000 0.000) 12.191 4.277 ( 7.960 -0.000 -0.000) 7.960 5.219 ( 13.175 -0.000 -0.000) 13.175 5.239 ( -4.232 0.000 0.000) 4.232 6.587 ( -2.483 0.000 0.000) 2.483 7.069 ( -2.024 0.000 0.000) 2.024 7.329 ( 4.847 -0.000 -0.000) 4.847 8.226 ( -11.767 0.000 0.000) 11.767 8.637 ( 26.744 -0.000 -0.000) 26.744 8.649 ( -13.563 0.000 0.000) 13.563 9.665 ( -17.064 0.000 0.000) 17.064 9.751 ( 17.958 -0.000 -0.000) 17.958 10.220 ( -5.352 0.000 0.000) 5.352 12.610 ( 1.079 -0.000 -0.000) 1.079 13.320 ( 0.545 -0.000 -0.000) 0.545 13.577 ( -0.068 0.000 0.000) 0.068 15.314 ( -0.002 0.000 0.000) 0.002 15.319 ( -2.093 0.000 0.000) 2.093 17.400 ( 0.295 -0.000 -0.000) 0.295 20.621 ( 0.434 -0.000 -0.000) 0.434 21.245 ( 0.283 -0.000 -0.000) 0.283 21.259 ( -0.993 0.000 0.000) 0.993 21.647 ( -0.380 0.000 0.000) 0.380 22.255 ( 0.516 -0.000 -0.000) 0.516 22.457 ( 0.729 -0.000 -0.000) 0.729 30.745 ( 1.445 -0.000 -0.000) 1.445 30.745 ( -1.118 0.000 0.000) 1.118 31.982 ( -0.372 0.000 0.000) 0.372 38.688 ( 0.178 -0.000 -0.000) 0.178 39.442 ( -0.115 0.000 0.000) 0.115 40.097 ( -1.182 0.000 0.000) 1.182 40.500 ( 1.867 -0.000 -0.000) 1.867 ======================= Grid point 66 (40/189) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 0.000 -3.240 -1.387) 3.524 2.214 ( 0.000 -6.721 -4.879) 8.305 2.865 ( -0.000 2.037 23.970) 24.057 3.210 ( -0.000 5.991 5.062) 7.844 3.496 ( 0.000 -4.672 -13.782) 14.553 3.937 ( -0.000 -3.033 17.483) 17.745 4.222 ( 0.000 -1.602 -16.171) 16.250 5.309 ( -0.000 7.984 5.481) 9.684 6.067 ( -0.000 10.918 7.036) 12.989 6.350 ( 0.000 17.785 -11.624) 21.247 6.924 ( 0.000 6.219 -10.975) 12.614 7.908 ( -0.000 0.039 6.231) 6.231 8.440 ( 0.000 16.341 -4.004) 16.824 9.172 ( 0.000 11.864 3.396) 12.341 9.381 ( 0.000 7.622 1.389) 7.748 10.116 ( 0.000 21.417 1.403) 21.463 11.512 ( 0.000 4.424 0.548) 4.457 12.839 ( -0.000 -15.019 -1.945) 15.144 13.265 ( -0.000 -12.609 -1.193) 12.665 13.344 ( -0.000 -6.482 2.510) 6.951 14.680 ( -0.000 -7.059 0.382) 7.070 15.415 ( -0.000 -9.086 -1.618) 9.228 18.244 ( -0.000 -1.206 3.006) 3.239 20.965 ( 0.000 -1.823 -1.447) 2.327 21.237 ( -0.000 -0.554 1.267) 1.383 21.274 ( 0.000 -0.663 -0.960) 1.167 21.515 ( 0.000 2.441 -0.812) 2.572 21.700 ( 0.000 -1.521 -0.677) 1.665 22.736 ( -0.000 -1.391 -0.043) 1.392 30.639 ( 0.000 5.602 0.801) 5.659 30.702 ( 0.000 1.386 -2.530) 2.885 32.172 ( -0.000 -7.061 1.711) 7.266 38.179 ( 0.000 2.020 -0.416) 2.062 38.666 ( 0.000 2.936 0.439) 2.969 40.218 ( -0.000 10.753 3.854) 11.423 41.155 ( 0.000 0.440 -6.468) 6.483 ======================= Grid point 67 (41/189) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 9.371 -1.893 -0.677) 9.584 2.273 ( 12.707 -4.024 -1.684) 13.435 3.128 ( 9.859 3.278 15.042) 18.281 3.327 ( 11.591 2.432 8.405) 14.522 3.491 ( 11.252 -3.265 -16.298) 20.072 3.968 ( 0.402 -0.197 17.332) 17.338 4.158 ( 1.401 -2.986 -17.373) 17.683 5.367 ( -2.285 4.612 2.284) 5.631 6.225 ( 6.839 5.143 6.509) 10.751 6.432 ( -0.241 9.214 -8.414) 12.480 7.060 ( 12.697 4.448 -5.420) 14.504 7.850 ( -7.619 -0.471 3.145) 8.256 8.606 ( 5.074 9.997 -1.963) 11.382 9.207 ( -9.111 13.380 2.147) 16.330 9.431 ( 0.059 -5.457 1.086) 5.564 10.247 ( -5.820 14.608 -0.021) 15.725 11.379 ( -17.051 -5.167 0.759) 17.833 12.703 ( -0.885 -8.626 -1.146) 8.747 13.235 ( 5.994 -0.600 -2.091) 6.376 13.317 ( 1.908 -4.741 2.623) 5.744 14.724 ( 11.198 -3.682 0.430) 11.796 15.341 ( 0.106 -4.621 -0.982) 4.726 18.127 ( -13.343 -0.790 1.408) 13.441 20.885 ( -6.396 -1.415 -0.651) 6.583 21.240 ( -0.384 0.832 0.526) 1.057 21.261 ( 0.492 -0.698 0.213) 0.880 21.556 ( 2.350 1.043 -0.291) 2.588 21.782 ( 10.137 -0.800 -0.847) 10.204 22.690 ( -4.021 -0.665 -0.155) 4.078 30.689 ( 0.451 3.199 0.524) 3.273 30.711 ( 0.625 0.591 -1.238) 1.507 32.106 ( -1.793 -3.673 0.676) 4.143 38.263 ( 7.813 1.226 -0.237) 7.913 38.774 ( 9.762 1.881 0.219) 9.944 40.279 ( -3.326 4.922 2.283) 6.364 41.066 ( -8.553 -0.276 -3.341) 9.187 ======================= Grid point 68 (42/189) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 8.124 -0.000 -0.000) 8.124 2.492 ( 13.792 -0.000 -0.000) 13.792 3.158 ( -4.952 0.000 0.000) 4.952 3.632 ( 11.678 -0.000 -0.000) 11.678 3.641 ( 4.543 -0.000 -0.000) 4.543 4.055 ( -1.965 0.000 0.000) 1.965 4.288 ( 31.844 -0.000 -0.000) 31.844 5.347 ( -2.622 0.000 0.000) 2.622 6.452 ( 15.628 -0.000 -0.000) 15.628 6.496 ( 3.681 -0.000 -0.000) 3.681 7.386 ( 24.000 -0.000 -0.000) 24.000 7.685 ( -11.341 0.000 0.000) 11.341 8.768 ( 6.172 -0.000 -0.000) 6.172 9.069 ( -18.333 0.000 0.000) 18.333 9.360 ( 1.018 -0.000 -0.000) 1.018 10.188 ( -10.959 0.000 0.000) 10.959 10.935 ( -26.637 0.000 0.000) 26.637 12.642 ( -1.350 0.000 0.000) 1.350 13.303 ( 0.558 -0.000 -0.000) 0.558 13.398 ( 9.106 -0.000 -0.000) 9.106 14.962 ( 16.931 -0.000 -0.000) 16.931 15.325 ( 0.741 -0.000 -0.000) 0.741 17.828 ( -19.645 0.000 0.000) 19.645 20.753 ( -7.223 0.000 0.000) 7.223 21.238 ( -0.213 0.000 0.000) 0.213 21.272 ( 0.428 -0.000 -0.000) 0.428 21.606 ( 2.649 -0.000 -0.000) 2.649 21.979 ( 12.586 -0.000 -0.000) 12.586 22.598 ( -6.039 0.000 0.000) 6.039 30.715 ( 0.351 -0.000 -0.000) 0.351 30.727 ( 1.339 -0.000 -0.000) 1.339 32.051 ( -2.641 0.000 0.000) 2.641 38.441 ( 11.370 -0.000 -0.000) 11.370 39.016 ( 16.436 -0.000 -0.000) 16.436 40.226 ( -5.473 0.000 0.000) 5.473 40.855 ( -14.378 0.000 0.000) 14.378 ======================= Grid point 81 (43/189) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -0.000 0.000 0.000) 0.000 2.139 ( -0.000 0.000 0.000) 0.000 2.996 ( 0.000 0.000 -0.000) 0.000 3.303 ( -0.000 -0.000 -0.000) 0.000 3.346 ( -0.000 0.000 0.000) 0.000 3.999 ( -0.000 0.000 0.000) 0.000 4.115 ( 0.000 0.000 -0.000) 0.000 5.420 ( -0.000 0.000 0.000) 0.000 6.203 ( -0.000 0.000 0.000) 0.000 6.464 ( 0.000 0.000 -0.000) 0.000 6.959 ( -0.000 0.000 0.000) 0.000 7.926 ( -0.000 0.000 0.000) 0.000 8.592 ( -0.000 0.000 0.000) 0.000 9.369 ( 0.000 0.000 0.000) 0.000 9.413 ( -0.000 0.000 0.000) 0.000 10.366 ( -0.000 0.000 0.000) 0.000 11.539 ( -0.000 0.000 0.000) 0.000 12.660 ( -0.000 0.000 0.000) 0.000 13.140 ( -0.000 0.000 0.000) 0.000 13.291 ( 0.000 0.000 -0.000) 0.000 14.602 ( -0.000 0.000 0.000) 0.000 15.313 ( -0.000 0.000 0.000) 0.000 18.249 ( -0.000 0.000 0.000) 0.000 20.941 ( -0.000 0.000 0.000) 0.000 21.239 ( -0.000 0.000 0.000) 0.000 21.259 ( 0.000 0.000 -0.000) 0.000 21.539 ( -0.000 0.000 0.000) 0.000 21.682 ( 0.000 0.000 0.000) 0.000 22.721 ( -0.000 0.000 0.000) 0.000 30.699 ( -0.000 0.000 0.000) 0.000 30.711 ( 0.000 -0.000 -0.000) 0.000 32.104 ( -0.000 0.000 0.000) 0.000 38.198 ( -0.000 0.000 0.000) 0.000 38.696 ( 0.000 0.000 0.000) 0.000 40.340 ( -0.000 0.000 0.000) 0.000 41.134 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 162 (44/189) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.169 ( -0.000 0.000 13.201) 13.201 0.260 ( -0.000 0.000 25.301) 25.301 0.754 ( -0.000 0.000 72.366) 72.366 0.792 ( 0.000 -0.000 -9.855) 9.855 1.279 ( -0.000 0.000 34.067) 34.067 3.668 ( 0.000 -0.000 -17.989) 17.989 3.792 ( 0.000 -0.000 -2.988) 2.988 4.205 ( 0.000 -0.000 -2.842) 2.842 4.511 ( -0.000 0.000 22.314) 22.314 5.905 ( 0.000 -0.000 -6.721) 6.721 6.376 ( 0.000 -0.000 -4.538) 4.538 7.396 ( 0.000 -0.000 -26.735) 26.735 7.908 ( -0.000 0.000 18.946) 18.946 7.974 ( 0.000 -0.000 -0.400) 0.400 8.417 ( 0.000 -0.000 -13.937) 13.937 8.722 ( -0.000 0.000 12.660) 12.660 10.877 ( -0.000 0.000 0.853) 0.853 14.141 ( 0.000 -0.000 -1.325) 1.325 14.603 ( 0.000 -0.000 -0.673) 0.673 14.617 ( -0.000 0.000 0.499) 0.499 14.698 ( 0.000 -0.000 -0.486) 0.486 14.711 ( -0.000 0.000 0.603) 0.603 19.084 ( -0.000 0.000 2.907) 2.907 21.334 ( 0.000 -0.000 -0.395) 0.395 21.344 ( -0.000 0.000 0.451) 0.451 21.467 ( 0.000 -0.000 -0.425) 0.425 21.476 ( -0.000 0.000 0.393) 0.393 21.929 ( 0.000 -0.000 -2.486) 2.486 22.525 ( -0.000 0.000 1.329) 1.329 30.457 ( 0.000 -0.000 -0.716) 0.716 30.713 ( -0.000 0.000 0.578) 0.578 34.400 ( 0.000 -0.000 -0.033) 0.033 37.889 ( 0.000 -0.000 -0.082) 0.082 37.893 ( -0.000 0.000 0.305) 0.305 38.223 ( 0.000 -0.000 -0.348) 0.348 38.228 ( -0.000 0.000 0.021) 0.021 ======================= Grid point 163 (45/189) ======================= q-point: ( 0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 9.360 5.404 42.535) 43.887 0.910 ( 31.976 18.461 8.704) 37.934 1.309 ( 30.930 17.857 6.953) 36.385 1.598 ( 42.761 24.688 13.174) 51.103 1.896 ( 50.110 28.931 28.049) 64.302 3.581 ( -2.147 -1.240 -18.181) 18.349 3.826 ( -0.002 -0.001 2.039) 2.039 4.391 ( 5.792 3.344 -3.308) 7.461 4.664 ( 6.597 3.809 0.107) 7.619 5.558 ( -3.226 -1.862 19.332) 19.687 6.360 ( 3.016 1.741 -10.286) 10.860 7.277 ( -4.812 -2.778 -26.108) 26.692 7.981 ( 3.257 1.880 4.063) 5.536 8.094 ( 7.217 4.167 2.196) 8.618 8.528 ( 5.056 2.919 -4.770) 7.539 8.926 ( 6.650 3.839 4.142) 8.725 10.908 ( 2.551 1.473 0.375) 2.970 13.346 ( -9.894 -5.712 17.998) 21.318 14.545 ( -6.234 -3.599 0.459) 7.213 14.621 ( -6.861 -3.961 -0.364) 7.931 14.753 ( 3.992 2.305 0.681) 4.660 15.891 ( 17.170 9.913 -41.889) 46.344 18.993 ( -7.235 -4.177 1.277) 8.451 21.178 ( -6.118 -3.532 8.394) 10.972 21.326 ( -1.273 -0.735 -0.616) 1.594 21.399 ( 1.120 0.646 2.089) 2.457 21.447 ( -1.352 -0.781 0.384) 1.608 21.952 ( -2.994 -1.729 -5.564) 6.551 22.619 ( 5.529 3.192 0.777) 6.432 30.428 ( -2.019 -1.166 -0.722) 2.441 30.673 ( -0.398 -0.230 -3.941) 3.967 33.044 ( -27.765 -16.030 39.726) 51.049 37.925 ( 2.486 1.435 0.598) 2.932 38.221 ( 2.556 1.476 -0.712) 3.036 38.422 ( 16.276 9.397 1.432) 18.849 40.610 ( 59.507 34.357 -98.353) 119.979 ======================= Grid point 164 (46/189) ======================= q-point: ( 0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 5.793 3.345 41.103) 41.643 1.632 ( 27.207 15.708 -1.132) 31.437 1.949 ( 21.054 12.156 21.032) 32.146 2.469 ( 31.251 18.043 7.081) 36.773 3.174 ( 39.931 23.054 14.687) 48.391 3.464 ( 2.487 1.436 -11.610) 11.959 3.912 ( 8.059 4.653 -4.693) 10.422 4.505 ( 8.644 4.990 0.593) 9.998 4.805 ( 7.012 4.048 5.734) 9.921 5.732 ( 11.011 6.357 0.804) 12.740 6.448 ( 8.827 5.096 -13.425) 16.856 7.066 ( -4.890 -2.823 -18.275) 19.127 8.072 ( 3.826 2.209 -1.209) 4.581 8.336 ( 13.441 7.760 1.935) 15.641 8.682 ( 9.264 5.349 4.157) 11.477 9.072 ( 5.427 3.133 6.638) 9.129 10.992 ( 4.967 2.867 -1.375) 5.897 13.276 ( -2.487 -1.436 7.412) 7.949 14.330 ( -12.923 -7.461 0.571) 14.933 14.395 ( -12.828 -7.406 -0.082) 14.813 14.866 ( 4.857 2.804 2.847) 6.290 15.839 ( -6.891 -3.978 -19.511) 21.071 18.788 ( -10.672 -6.162 0.357) 12.329 21.122 ( -1.571 -0.907 2.893) 3.415 21.288 ( -1.586 -0.915 -0.103) 1.834 21.380 ( -2.130 -1.230 0.141) 2.464 21.480 ( 2.570 1.484 2.675) 3.996 21.861 ( -3.062 -1.768 -3.290) 4.830 22.707 ( 1.673 0.966 -0.584) 2.018 30.383 ( -1.183 -0.683 -0.790) 1.577 30.674 ( 1.907 1.101 -6.717) 7.068 32.719 ( -13.904 -8.027 17.658) 23.865 37.998 ( 3.494 2.017 0.425) 4.057 38.304 ( 4.839 2.794 -0.393) 5.601 38.915 ( 24.668 14.242 5.180) 28.951 41.072 ( 14.260 8.233 -43.600) 46.606 ======================= Grid point 165 (47/189) ======================= q-point: ( 0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 5.866 3.387 28.879) 29.663 2.087 ( 12.976 7.492 -1.786) 15.090 2.408 ( 12.179 7.031 19.441) 23.994 2.820 ( -0.334 -0.193 1.988) 2.025 3.499 ( 11.125 6.423 -3.297) 13.263 3.821 ( 5.712 3.298 11.684) 13.416 4.150 ( 17.793 10.273 -7.621) 21.914 4.791 ( 8.183 4.725 8.884) 12.969 5.273 ( 34.395 19.858 2.549) 39.798 5.864 ( 0.791 0.456 -16.558) 16.583 6.667 ( 13.973 8.067 -14.491) 21.686 7.063 ( 10.066 5.812 -3.265) 12.073 8.163 ( 6.163 3.558 -6.322) 9.519 8.659 ( 12.796 7.388 4.570) 15.466 8.990 ( 15.661 9.042 8.937) 20.171 9.250 ( 9.228 5.328 6.091) 12.274 11.119 ( 6.771 3.909 -3.351) 8.506 13.242 ( -2.561 -1.478 2.676) 3.988 13.968 ( -18.749 -10.825 -0.160) 21.651 14.056 ( -16.779 -9.687 1.091) 19.405 14.967 ( 2.209 1.276 5.721) 6.264 15.550 ( -12.400 -7.159 -13.192) 19.469 18.540 ( -10.888 -6.286 1.341) 12.644 21.111 ( -0.085 -0.049 0.769) 0.775 21.258 ( -1.165 -0.672 0.042) 1.346 21.347 ( -0.778 -0.449 1.375) 1.643 21.540 ( 1.796 1.037 2.559) 3.293 21.790 ( -2.375 -1.371 -3.982) 4.835 22.692 ( -2.281 -1.317 -1.745) 3.160 30.390 ( 2.194 1.267 -0.597) 2.603 30.706 ( 2.795 1.614 -6.156) 6.951 32.485 ( -11.063 -6.387 9.300) 15.801 38.076 ( 3.254 1.879 -0.219) 3.763 38.430 ( 6.025 3.479 0.281) 6.963 39.512 ( 24.910 14.382 8.643) 30.034 41.135 ( 3.123 1.803 -25.216) 25.472 ======================= Grid point 166 (48/189) ======================= q-point: ( 0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 3.706 2.140 18.421) 18.912 2.208 ( -1.054 -0.609 0.140) 1.226 2.470 ( -8.621 -4.977 4.057) 10.749 2.928 ( 9.298 5.368 7.798) 13.269 3.549 ( -0.043 -0.025 -3.980) 3.980 4.068 ( 9.739 5.623 14.073) 18.014 4.494 ( 11.460 6.616 -4.208) 13.886 4.976 ( 5.188 2.995 10.559) 12.140 5.643 ( -4.653 -2.687 -22.164) 22.806 6.081 ( 27.121 15.658 -0.266) 31.318 6.947 ( 14.584 8.420 -15.529) 22.907 7.396 ( 13.520 7.806 8.862) 17.951 8.343 ( 12.143 7.011 -8.321) 16.305 8.943 ( 12.077 6.973 5.588) 15.024 9.393 ( 15.936 9.201 6.989) 19.684 9.560 ( 15.968 9.219 5.025) 19.111 11.255 ( 5.570 3.216 -3.620) 7.380 13.155 ( -6.402 -3.696 -0.325) 7.400 13.520 ( -19.255 -11.117 -0.403) 22.237 13.683 ( -15.046 -8.687 1.860) 17.473 14.959 ( -6.960 -4.019 6.371) 10.256 15.262 ( -6.775 -3.911 -9.581) 12.368 18.325 ( -8.380 -4.838 2.472) 9.987 21.120 ( 0.664 0.383 0.249) 0.806 21.232 ( -1.082 -0.625 -0.306) 1.286 21.357 ( 1.115 0.644 2.266) 2.606 21.576 ( 0.553 0.319 1.373) 1.514 21.719 ( -2.430 -1.403 -4.683) 5.459 22.616 ( -3.406 -1.967 -1.427) 4.184 30.475 ( 5.172 2.986 -0.187) 5.975 30.748 ( 2.164 1.249 -4.111) 4.811 32.283 ( -8.763 -5.059 4.620) 11.123 38.139 ( 2.362 1.364 -0.590) 2.791 38.564 ( 5.399 3.117 0.644) 6.268 40.068 ( 20.866 12.047 10.507) 26.285 41.066 ( -2.481 -1.432 -17.412) 17.646 ======================= Grid point 167 (49/189) ======================= q-point: ( 0.50 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 1.263 0.729 10.252) 10.355 2.139 ( -3.559 -2.055 4.558) 6.137 2.239 ( -10.642 -6.144 1.989) 12.448 3.111 ( 3.869 2.234 3.872) 5.912 3.626 ( 7.644 4.413 -6.898) 11.202 4.250 ( 2.290 1.322 8.386) 8.793 4.623 ( 2.319 1.339 -7.444) 7.911 4.986 ( -6.783 -3.916 9.371) 12.212 5.589 ( 5.771 3.332 -6.610) 9.386 6.571 ( 15.755 9.096 -2.422) 18.352 7.186 ( 10.799 6.235 -14.746) 19.311 7.603 ( 1.712 0.988 11.582) 11.749 8.571 ( 7.455 4.304 -3.410) 9.260 9.302 ( 17.354 10.019 1.031) 20.065 9.701 ( 8.035 4.639 2.609) 9.638 9.942 ( 15.317 8.843 2.420) 17.852 11.307 ( -0.756 -0.437 -0.047) 0.874 12.916 ( -12.432 -7.178 -2.105) 14.509 13.173 ( -10.359 -5.981 0.520) 11.973 13.475 ( -3.665 -2.116 1.155) 4.386 14.714 ( -11.819 -6.824 0.572) 13.660 15.199 ( 0.486 0.281 -1.727) 1.815 18.184 ( -4.840 -2.794 2.648) 6.184 21.141 ( 1.119 0.646 -0.044) 1.293 21.201 ( -1.585 -0.915 -0.743) 1.976 21.413 ( 2.984 1.723 2.202) 4.089 21.549 ( -2.869 -1.657 -3.038) 4.495 21.675 ( -0.119 -0.069 -1.348) 1.355 22.549 ( -1.964 -1.134 0.498) 2.322 30.603 ( 5.609 3.238 -0.039) 6.477 30.764 ( -0.008 -0.005 -1.819) 1.819 32.132 ( -5.310 -3.066 1.828) 6.399 38.179 ( 1.312 0.758 -0.406) 1.569 38.665 ( 3.056 1.764 0.437) 3.556 40.518 ( 15.357 8.866 10.715) 20.718 40.911 ( -6.190 -3.574 -13.349) 15.143 ======================= Grid point 168 (50/189) ======================= q-point: (-0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 0.722 0.417 9.807) 9.842 2.055 ( -3.837 -2.215 0.814) 4.505 2.147 ( 1.671 0.965 7.322) 7.572 3.132 ( -2.278 -1.315 -1.366) 2.964 3.726 ( 1.497 0.864 -11.576) 11.704 4.213 ( -5.606 -3.236 -1.533) 6.652 4.605 ( 0.920 0.531 -10.597) 10.650 4.916 ( -1.496 -0.864 11.486) 11.616 5.741 ( 5.367 3.099 9.945) 11.718 6.755 ( 0.768 0.444 -2.450) 2.606 7.329 ( 6.031 3.482 -12.827) 14.596 7.593 ( -5.263 -3.038 10.817) 12.407 8.647 ( 0.540 0.312 -0.379) 0.730 9.542 ( -1.060 -0.612 -3.852) 4.042 9.734 ( -2.782 -1.606 -4.224) 5.306 10.172 ( 0.769 0.444 3.626) 3.733 11.280 ( 0.375 0.216 3.736) 3.761 12.749 ( 0.857 0.495 -1.156) 1.521 13.063 ( 0.183 0.106 0.803) 0.831 13.437 ( -1.315 -0.759 -1.743) 2.312 14.565 ( 0.130 0.075 0.561) 0.581 15.220 ( 1.313 0.758 1.223) 1.948 18.125 ( -1.009 -0.583 1.607) 1.985 21.145 ( -1.171 -0.676 -2.746) 3.061 21.183 ( 0.960 0.554 0.863) 1.404 21.438 ( -2.968 -1.714 -3.961) 5.238 21.515 ( 2.768 1.598 1.386) 3.484 21.680 ( 0.430 0.248 -0.020) 0.497 22.540 ( 0.719 0.415 2.959) 3.073 30.696 ( 0.251 0.145 -0.016) 0.290 30.741 ( 0.316 0.183 -0.357) 0.511 32.068 ( -0.482 -0.278 0.483) 0.736 38.195 ( 0.196 0.113 0.035) 0.229 38.698 ( -0.201 -0.116 -0.022) 0.233 40.640 ( -9.657 -5.575 -8.150) 13.812 40.894 ( 10.398 6.003 7.361) 14.084 ======================= Grid point 169 (51/189) ======================= q-point: (-0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -7.179 -4.145 14.896) 17.048 2.076 ( 4.677 2.700 -5.438) 7.664 2.293 ( 8.758 5.057 6.675) 12.118 2.998 ( -8.178 -4.722 -6.108) 11.246 3.626 ( -4.555 -2.630 -4.539) 6.948 4.061 ( -6.411 -3.701 -8.486) 11.261 4.591 ( -0.436 -0.252 -6.620) 6.639 4.947 ( -0.225 -0.130 5.537) 5.543 5.877 ( 2.994 1.729 14.263) 14.676 6.579 ( -15.639 -9.029 -1.444) 18.116 7.361 ( -0.480 -0.277 -11.158) 11.172 7.462 ( -8.941 -5.162 11.995) 15.826 8.603 ( -4.677 -2.700 -0.475) 5.421 9.233 ( -19.096 -11.025 -5.041) 22.619 9.579 ( -10.728 -6.194 -7.937) 14.713 9.955 ( -18.301 -10.566 3.563) 21.430 11.360 ( 2.437 1.407 4.362) 5.191 12.932 ( 12.481 7.206 -0.784) 14.434 13.184 ( 10.593 6.116 1.742) 12.355 13.426 ( 3.178 1.835 -3.254) 4.905 14.694 ( 8.905 5.141 -1.030) 10.334 15.284 ( 4.099 2.367 5.591) 7.326 18.153 ( 3.362 1.941 -0.140) 3.884 21.109 ( -0.749 -0.433 -2.766) 2.898 21.215 ( 1.281 0.740 0.249) 1.500 21.357 ( -2.479 -1.431 -2.789) 3.997 21.559 ( 0.140 0.081 -1.013) 1.026 21.710 ( 2.381 1.375 0.978) 2.918 22.597 ( 2.841 1.640 4.507) 5.575 30.609 ( -5.546 -3.202 0.515) 6.424 30.784 ( 1.493 0.862 -0.178) 1.733 32.110 ( 3.820 2.206 -0.023) 4.411 38.186 ( -1.117 -0.645 0.230) 1.310 38.657 ( -3.256 -1.880 -0.204) 3.765 40.321 ( -15.317 -8.843 -7.864) 19.356 41.140 ( 8.274 4.777 7.998) 12.460 ======================= Grid point 170 (52/189) ======================= q-point: (-0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -13.830 -7.985 10.160) 18.928 2.120 ( -0.347 -0.200 -8.703) 8.713 2.483 ( 1.393 0.804 5.677) 5.901 2.785 ( -5.455 -3.149 -3.149) 7.042 3.617 ( 4.452 2.571 3.607) 6.280 3.832 ( -11.516 -6.649 -7.709) 15.371 4.526 ( -4.067 -2.348 -2.748) 5.441 4.854 ( -10.080 -5.820 1.196) 11.701 5.929 ( -9.540 -5.508 1.661) 11.141 6.089 ( -19.263 -11.121 -0.012) 22.243 7.156 ( -13.456 -7.769 -1.086) 15.576 7.359 ( -4.731 -2.732 11.618) 12.838 8.393 ( -13.137 -7.585 -4.672) 15.872 8.848 ( -11.567 -6.678 -2.243) 13.543 9.223 ( -16.638 -9.606 -7.688) 20.693 9.518 ( -18.787 -10.846 1.484) 21.744 11.330 ( -5.911 -3.413 2.915) 7.422 13.150 ( 5.407 3.122 -0.703) 6.283 13.531 ( 18.124 10.464 0.481) 20.934 13.643 ( 16.604 9.586 -1.496) 19.230 14.855 ( 4.828 2.787 -3.368) 6.513 15.479 ( 10.695 6.175 10.143) 15.981 18.280 ( 8.199 4.734 -1.577) 9.598 21.095 ( 0.143 0.082 -1.964) 1.971 21.238 ( 0.787 0.454 0.069) 0.911 21.315 ( -0.532 -0.307 -1.575) 1.690 21.530 ( -1.604 -0.926 -2.470) 3.088 21.774 ( 2.563 1.480 0.505) 3.002 22.683 ( 3.021 1.744 4.265) 5.510 30.485 ( -5.099 -2.944 0.631) 5.921 30.797 ( -0.216 -0.125 -0.057) 0.256 32.226 ( 6.205 3.582 -0.117) 7.166 38.144 ( -2.596 -1.499 -0.131) 3.000 38.559 ( -5.164 -2.981 0.203) 5.966 39.898 ( -19.952 -11.519 -5.564) 23.701 41.323 ( 5.811 3.355 6.125) 9.086 ======================= Grid point 171 (53/189) ======================= q-point: (-0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -18.286 -10.558 6.035) 21.961 1.968 ( -10.071 -5.815 -8.871) 14.626 2.266 ( -19.115 -11.036 8.294) 23.579 2.787 ( -1.371 -0.792 -0.914) 1.828 3.494 ( -14.172 -8.182 -1.655) 16.448 3.763 ( 0.332 0.192 3.547) 3.568 4.348 ( -13.380 -7.725 10.492) 18.675 4.571 ( -9.714 -5.609 -10.470) 15.344 5.227 ( -34.792 -20.087 -1.861) 40.217 5.931 ( -7.951 -4.590 -8.229) 12.329 6.840 ( -13.286 -7.671 -0.107) 15.342 7.341 ( -0.651 -0.376 20.423) 20.437 8.067 ( -11.035 -6.371 -13.765) 18.757 8.617 ( -11.364 -6.561 1.036) 13.162 8.872 ( -10.457 -6.037 -4.354) 12.836 9.169 ( -12.099 -6.986 0.990) 14.006 11.166 ( -7.980 -4.607 0.860) 9.254 13.203 ( 0.546 0.315 -0.620) 0.884 13.954 ( 18.146 10.477 -1.278) 20.993 14.053 ( 17.761 10.255 0.615) 20.518 14.890 ( -0.586 -0.338 -1.916) 2.032 15.799 ( 13.481 7.783 9.519) 18.246 18.506 ( 11.901 6.871 -1.883) 13.871 21.094 ( 0.051 0.029 -0.602) 0.604 21.258 ( 1.140 0.658 0.132) 1.324 21.323 ( 1.600 0.924 -0.919) 2.063 21.482 ( -1.847 -1.066 -2.746) 3.476 21.822 ( 1.890 1.091 -0.674) 2.284 22.743 ( 0.845 0.488 2.604) 2.781 30.401 ( -2.169 -1.252 0.469) 2.548 30.778 ( -1.180 -0.681 -0.660) 1.514 32.380 ( 7.155 4.131 0.920) 8.313 38.070 ( -3.693 -2.132 -0.753) 4.331 38.437 ( -5.586 -3.225 0.878) 6.510 39.388 ( -23.369 -13.492 -3.079) 27.159 41.447 ( 3.881 2.241 2.272) 5.024 ======================= Grid point 172 (54/189) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -17.602 -10.162 14.670) 25.066 1.609 ( -20.649 -11.921 -3.294) 24.069 1.751 ( -27.514 -15.885 8.407) 32.864 2.426 ( -30.634 -17.687 3.991) 35.598 2.990 ( -44.033 -25.422 -4.747) 51.066 3.602 ( -0.823 -0.475 3.891) 4.005 4.122 ( -12.762 -7.368 11.766) 18.857 4.358 ( -4.800 -2.771 -9.742) 11.208 4.761 ( -3.574 -2.064 -2.527) 4.839 5.626 ( -15.011 -8.666 -3.698) 17.723 6.577 ( -9.071 -5.237 -2.821) 10.847 7.452 ( 3.942 2.276 9.188) 10.253 7.842 ( -3.865 -2.231 -12.327) 13.110 8.342 ( -12.248 -7.071 3.055) 14.469 8.706 ( -4.890 -2.823 -1.843) 5.940 8.971 ( -6.191 -3.575 1.740) 7.358 11.006 ( -5.922 -3.419 -0.134) 6.839 13.201 ( -0.346 -0.200 1.259) 1.321 14.308 ( 13.133 7.582 -1.222) 15.214 14.408 ( 12.929 7.465 0.841) 14.953 14.832 ( -3.695 -2.133 -0.600) 4.308 16.108 ( 10.776 6.222 3.251) 12.861 18.777 ( 11.659 6.731 -1.344) 13.529 21.094 ( 0.008 0.005 1.218) 1.218 21.296 ( 2.052 1.185 0.737) 2.481 21.376 ( 3.072 1.774 -0.487) 3.581 21.425 ( -2.439 -1.408 -2.197) 3.572 21.871 ( 3.277 1.892 -2.284) 4.420 22.725 ( -3.134 -1.809 0.878) 3.723 30.392 ( 1.064 0.614 0.135) 1.236 30.743 ( -1.403 -0.810 -2.541) 3.014 32.555 ( 7.347 4.242 5.783) 10.267 37.982 ( -3.589 -2.072 -0.944) 4.251 38.321 ( -4.751 -2.743 1.079) 5.591 38.847 ( -22.834 -13.183 -1.193) 26.393 41.502 ( 1.353 0.781 -10.016) 10.137 ======================= Grid point 175 (55/189) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -0.000 23.283 18.941) 30.014 1.068 ( -0.000 30.768 15.997) 34.678 1.302 ( -0.000 32.488 17.819) 37.054 1.739 ( -0.000 62.523 22.897) 66.583 1.898 ( -0.000 33.649 30.419) 45.361 3.571 ( 0.000 2.001 -17.852) 17.963 3.892 ( 0.000 8.508 -4.957) 9.847 4.316 ( -0.000 4.766 1.562) 5.015 4.648 ( -0.000 0.858 6.469) 6.525 5.590 ( -0.000 -8.218 10.308) 13.183 6.322 ( 0.000 3.052 -11.646) 12.039 7.235 ( 0.000 2.692 -24.321) 24.470 7.897 ( -0.000 -4.514 0.514) 4.543 8.142 ( 0.000 10.679 0.445) 10.688 8.539 ( 0.000 7.843 -2.646) 8.277 8.918 ( -0.000 6.750 5.537) 8.731 10.910 ( 0.000 2.736 0.438) 2.771 13.400 ( -0.000 -15.024 17.709) 23.224 14.524 ( -0.000 -8.119 -0.549) 8.138 14.636 ( -0.000 -7.218 0.323) 7.225 14.741 ( 0.000 4.052 -0.079) 4.053 15.831 ( 0.000 32.165 -38.622) 50.262 18.998 ( -0.000 -9.530 2.566) 9.870 21.219 ( -0.000 -7.554 7.876) 10.914 21.343 ( 0.000 0.195 -0.876) 0.897 21.379 ( -0.000 -0.953 2.900) 3.053 21.440 ( -0.000 -2.916 -0.252) 2.927 21.900 ( 0.000 -4.357 -6.543) 7.861 22.624 ( 0.000 6.588 0.964) 6.658 30.426 ( 0.000 -2.123 -1.068) 2.376 30.661 ( 0.000 -1.745 -2.919) 3.400 33.191 ( -0.000 -37.430 38.927) 54.003 37.909 ( 0.000 2.116 -0.268) 2.133 38.239 ( 0.000 3.985 0.113) 3.986 38.398 ( 0.000 17.698 0.079) 17.699 40.299 ( 0.000 82.042 -90.981) 122.509 ======================= Grid point 176 (56/189) ======================= q-point: ( 0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 8.248 4.843 32.582) 33.956 1.478 ( 8.662 31.599 14.312) 35.754 1.902 ( 23.090 27.072 19.070) 40.370 2.351 ( 8.840 33.463 13.136) 37.020 2.851 ( 37.108 42.062 15.083) 58.084 3.498 ( -4.632 5.659 -11.291) 13.452 3.945 ( -1.190 11.754 -4.600) 12.678 4.440 ( 5.642 6.015 0.656) 8.273 4.721 ( 5.342 -0.451 6.956) 8.783 5.613 ( 6.993 0.352 -2.506) 7.436 6.356 ( 3.966 7.340 -14.644) 16.854 7.132 ( -7.745 5.620 -16.846) 19.374 7.943 ( 8.212 -2.461 -3.285) 9.181 8.288 ( 4.794 12.545 -0.556) 13.442 8.647 ( 4.661 7.216 5.246) 10.066 9.047 ( 4.230 5.191 6.018) 9.003 10.963 ( 2.364 4.329 -0.918) 5.017 13.319 ( -2.250 -5.397 9.670) 11.300 14.388 ( -4.946 -11.935 -0.209) 12.921 14.476 ( -7.602 -11.005 0.125) 13.376 14.833 ( 4.400 4.660 1.745) 6.643 15.885 ( -5.853 7.035 -21.526) 23.391 18.842 ( -5.929 -11.787 1.031) 13.235 21.159 ( -2.356 -2.437 4.570) 5.690 21.300 ( -2.477 -2.016 -0.776) 3.287 21.380 ( -0.980 -3.760 0.721) 3.952 21.438 ( 3.428 0.190 1.441) 3.723 21.858 ( 0.740 -2.373 -4.467) 5.112 22.700 ( 1.223 3.692 -0.020) 3.889 30.391 ( -1.081 -1.423 -1.042) 2.069 30.640 ( 0.600 0.669 -5.867) 5.935 32.895 ( -11.354 -17.912 22.599) 30.991 37.970 ( 3.352 3.113 0.008) 4.575 38.294 ( 1.581 5.780 -0.069) 5.993 38.750 ( 15.521 21.321 3.653) 26.624 40.791 ( 14.590 29.024 -54.527) 63.470 ======================= Grid point 177 (57/189) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 4.669 2.197 33.258) 33.656 2.002 ( 12.894 22.961 6.837) 27.207 2.520 ( 7.078 25.774 20.335) 33.584 2.787 ( 9.814 7.045 4.683) 12.957 3.433 ( 4.655 12.325 -2.729) 13.454 3.746 ( 17.370 14.000 6.230) 23.163 4.059 ( 1.004 11.261 -3.779) 11.920 4.736 ( 13.515 17.569 1.831) 22.242 4.912 ( 19.537 4.065 6.653) 21.036 5.744 ( 8.032 0.735 -16.153) 18.055 6.520 ( 10.040 12.818 -15.446) 22.443 7.054 ( -2.585 10.131 -5.831) 11.972 8.043 ( 6.775 -0.057 -6.672) 9.509 8.546 ( 10.557 9.949 2.940) 14.802 8.906 ( 11.934 12.309 8.818) 19.280 9.195 ( 5.238 5.133 5.873) 9.395 11.067 ( 4.318 6.416 -2.830) 8.235 13.270 ( -1.956 -3.221 4.303) 5.720 14.110 ( -12.480 -14.653 -0.491) 19.254 14.183 ( -11.679 -14.468 0.677) 18.606 14.964 ( 4.089 4.032 4.374) 7.219 15.673 ( -13.128 -2.158 -12.345) 18.150 18.601 ( -7.661 -12.980 0.459) 15.079 21.125 ( -1.518 -0.688 1.649) 2.344 21.238 ( -0.684 -3.946 -0.534) 4.041 21.340 ( 0.487 -3.582 2.044) 4.152 21.502 ( 2.670 0.162 0.799) 2.792 21.841 ( -1.510 2.796 -3.339) 4.610 22.711 ( -1.687 -0.283 -1.307) 2.153 30.377 ( 0.543 1.070 -0.689) 1.383 30.658 ( 2.290 2.101 -6.744) 7.426 32.627 ( -10.728 -11.425 12.477) 20.032 38.064 ( 2.913 4.779 -0.251) 5.602 38.407 ( 3.740 7.571 0.213) 8.447 39.295 ( 21.502 18.617 7.986) 29.542 40.988 ( 6.304 8.617 -32.124) 33.851 ======================= Grid point 178 (58/189) ======================= q-point: ( 0.42 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 2.997 2.950 23.946) 24.313 2.323 ( -1.324 15.823 4.438) 16.487 2.715 ( -11.439 7.099 8.330) 15.831 2.908 ( 2.897 11.103 7.881) 13.920 3.614 ( -3.028 7.285 -3.405) 8.592 4.004 ( 10.013 5.717 13.258) 17.570 4.337 ( 14.510 12.927 -5.218) 20.121 4.998 ( 5.117 11.286 7.166) 14.314 5.458 ( 19.736 -1.510 -13.177) 23.778 5.823 ( 12.208 10.707 -8.666) 18.406 6.811 ( 11.301 17.058 -14.926) 25.327 7.263 ( 13.520 11.431 4.459) 18.257 8.155 ( 10.168 1.629 -8.094) 13.098 8.817 ( 10.414 5.029 5.917) 12.991 9.307 ( 12.325 15.365 7.205) 20.974 9.399 ( 12.648 5.616 5.144) 14.764 11.202 ( 4.446 6.494 -3.689) 8.692 13.201 ( -3.707 -4.053 0.737) 5.542 13.698 ( -16.717 -15.456 -0.754) 22.780 13.824 ( -13.332 -14.326 1.222) 19.607 15.062 ( -0.049 3.451 6.946) 7.756 15.360 ( -14.462 -3.911 -9.064) 17.510 18.355 ( -5.782 -13.384 1.213) 14.630 21.099 ( 0.269 -2.767 -0.230) 2.789 21.207 ( 1.013 -2.761 0.244) 2.951 21.336 ( 1.360 -2.942 3.144) 4.515 21.528 ( 0.826 -0.758 -0.832) 1.396 21.835 ( -3.888 7.517 -3.174) 9.038 22.645 ( -3.187 -2.430 -1.462) 4.266 30.433 ( 3.427 3.546 -0.088) 4.932 30.704 ( 2.824 2.148 -5.421) 6.478 32.392 ( -9.239 -8.504 6.600) 14.186 38.152 ( 1.164 6.263 -0.674) 6.406 38.557 ( 3.621 9.094 0.647) 9.810 39.853 ( 21.584 12.485 10.524) 27.065 40.992 ( 0.905 -0.355 -21.051) 21.074 ======================= Grid point 179 (59/189) ======================= q-point: ( 0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 0.566 5.189 14.091) 15.027 2.315 ( -11.991 7.701 5.988) 15.458 2.554 ( -18.822 11.133 5.041) 22.442 3.073 ( 4.012 2.646 6.202) 7.846 3.609 ( -0.795 8.251 -5.590) 9.998 4.253 ( 5.811 5.059 8.469) 11.449 4.583 ( 3.950 7.467 -8.113) 11.712 5.146 ( -6.021 4.757 8.794) 11.671 5.504 ( 6.650 5.682 -10.446) 13.625 6.302 ( 23.502 9.463 -3.083) 25.522 7.081 ( 7.576 14.231 -13.757) 21.193 7.588 ( 7.706 4.323 9.575) 13.029 8.416 ( 17.451 6.792 -7.547) 20.190 9.059 ( 13.715 1.865 4.956) 14.702 9.605 ( 10.064 5.441 3.196) 11.879 9.762 ( 16.012 8.102 3.451) 18.274 11.271 ( 0.733 -2.110 -1.367) 2.619 13.027 ( -10.068 -8.816 -1.638) 13.482 13.311 ( -12.574 -8.405 -0.079) 15.125 13.535 ( -6.821 -6.024 1.122) 9.169 14.954 ( -17.766 1.041 2.353) 17.951 15.192 ( 0.446 0.707 -2.394) 2.536 18.164 ( -1.826 -13.114 2.117) 13.409 21.083 ( 2.982 -5.487 -1.492) 6.421 21.206 ( 0.126 -0.556 0.369) 0.679 21.338 ( 1.887 -4.665 2.948) 5.832 21.520 ( -0.578 0.293 -1.897) 2.005 21.836 ( -5.331 10.854 -2.802) 12.413 22.568 ( -2.162 -2.507 0.130) 3.312 30.548 ( 4.973 4.325 0.286) 6.597 30.746 ( 1.673 1.118 -3.173) 3.757 32.199 ( -6.716 -6.019 3.001) 9.505 38.219 ( -0.873 7.225 -0.616) 7.304 38.695 ( 1.012 9.752 0.619) 9.824 40.328 ( 19.025 5.964 11.062) 22.801 40.883 ( -2.521 -5.608 -15.311) 16.500 ======================= Grid point 180 (60/189) ======================= q-point: ( 0.58 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( -0.988 10.330 5.972) 11.973 2.192 ( -11.430 2.751 8.447) 14.476 2.393 ( -16.096 16.910 8.507) 24.848 3.127 ( 0.436 -2.551 2.162) 3.373 3.669 ( 1.623 4.315 -12.690) 13.501 4.336 ( -4.397 4.181 1.782) 6.323 4.595 ( -2.058 6.410 -15.637) 17.024 5.062 ( -8.139 3.766 13.283) 16.027 5.728 ( 6.634 9.660 6.983) 13.641 6.666 ( 10.741 5.153 -3.767) 12.494 7.246 ( 4.483 7.614 -11.614) 14.593 7.670 ( -1.644 -1.099 8.949) 9.165 8.667 ( 3.346 7.923 -2.317) 8.908 9.373 ( 18.523 -0.566 -1.740) 18.613 9.678 ( -1.819 -9.711 -1.634) 10.014 10.099 ( 13.051 4.753 2.438) 14.102 11.180 ( 1.189 -15.154 3.431) 15.583 12.773 ( -6.330 -5.115 -2.097) 8.404 13.136 ( -5.040 2.342 0.622) 5.592 13.462 ( -1.995 0.537 -0.640) 2.162 14.706 ( -12.528 5.798 0.751) 13.825 15.222 ( 0.769 2.229 0.563) 2.424 18.055 ( 2.480 -11.764 2.231) 12.228 21.075 ( 4.319 -7.648 -3.730) 9.542 21.198 ( -1.250 0.903 1.193) 1.950 21.324 ( 2.116 -6.446 0.109) 6.785 21.518 ( -0.467 2.340 0.041) 2.387 21.846 ( -5.853 12.245 -2.311) 13.767 22.537 ( 0.343 -1.340 2.497) 2.854 30.668 ( 3.973 3.180 0.099) 5.090 30.750 ( -0.897 -0.456 -1.079) 1.475 32.080 ( -2.501 -3.039 1.053) 4.074 38.259 ( -2.800 7.390 -0.176) 7.905 38.774 ( -3.017 9.041 0.235) 9.535 40.633 ( 2.733 -6.746 -0.216) 7.281 40.758 ( 7.719 -1.045 -1.460) 7.925 ======================= Grid point 181 (61/189) ======================= q-point: (-0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( -9.052 5.278 11.428) 15.505 2.065 ( -3.044 9.440 0.003) 9.919 2.434 ( -5.518 20.892 8.937) 23.384 3.048 ( -5.119 -5.134 -2.552) 7.686 3.626 ( -1.432 -3.102 -10.190) 10.747 4.207 ( -12.385 4.781 -7.517) 15.256 4.617 ( -0.712 8.516 -8.622) 12.140 5.050 ( -5.087 6.454 10.467) 13.307 5.903 ( 1.643 4.138 11.927) 12.731 6.693 ( -7.675 -4.285 -2.034) 9.022 7.315 ( 2.273 2.512 -8.453) 9.106 7.613 ( -6.762 -0.897 7.318) 10.004 8.692 ( -5.867 3.771 -0.762) 7.016 9.316 ( -13.587 -21.029 -4.954) 25.522 9.576 ( 3.889 -5.418 -6.258) 9.145 10.131 ( -10.602 -8.728 3.884) 14.272 11.209 ( 14.740 -7.823 4.589) 17.306 12.786 ( 9.143 3.282 -1.380) 9.812 13.160 ( 1.022 7.382 2.128) 7.750 13.414 ( -2.102 0.295 -3.322) 3.943 14.699 ( 0.028 12.066 0.355) 12.071 15.269 ( 2.017 2.464 2.992) 4.370 18.036 ( 6.560 -8.726 1.244) 10.987 21.052 ( 3.847 -7.557 -4.633) 9.663 21.203 ( 0.324 0.908 1.062) 1.434 21.287 ( 0.814 -5.346 -1.287) 5.559 21.541 ( 0.060 1.514 0.914) 1.770 21.858 ( -5.859 11.956 -1.693) 13.422 22.571 ( 2.902 -0.069 4.081) 5.008 30.671 ( -4.388 -1.980 0.267) 4.821 30.762 ( 2.199 1.524 -0.480) 2.718 32.067 ( 2.378 -0.137 0.427) 2.420 38.265 ( -4.492 6.479 0.166) 7.886 38.768 ( -6.827 6.965 -0.041) 9.753 40.406 ( -9.409 -11.492 -7.426) 16.606 41.003 ( 13.150 -0.500 6.649) 14.744 ======================= Grid point 182 (62/189) ======================= q-point: (-0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -16.045 -3.500 6.357) 17.610 2.204 ( -1.591 14.235 0.981) 14.357 2.612 ( -2.648 19.785 4.633) 20.493 2.860 ( -8.572 -5.929 -1.112) 10.482 3.580 ( 3.063 -0.708 -0.415) 3.171 3.994 ( -13.548 1.980 -7.932) 15.824 4.614 ( -6.677 7.048 -4.046) 10.517 5.029 ( -9.363 4.518 3.878) 11.096 5.939 ( -1.660 -4.009 5.701) 7.164 6.330 ( -21.244 -14.482 -1.830) 25.775 7.284 ( -6.808 0.404 -4.920) 8.409 7.500 ( -7.911 0.280 9.320) 12.228 8.494 ( -13.330 -12.057 -3.926) 18.397 8.899 ( -8.198 -13.030 -2.815) 15.649 9.427 ( -13.145 -2.821 -5.705) 14.605 9.741 ( -19.275 -13.022 2.763) 23.425 11.366 ( 2.921 -1.829 3.301) 4.772 13.033 ( 12.206 3.699 -1.285) 12.819 13.350 ( 12.481 7.567 2.308) 14.777 13.463 ( 9.415 3.605 -2.927) 10.497 14.850 ( 2.181 10.805 -2.295) 11.259 15.391 ( 7.951 2.951 7.179) 11.111 18.120 ( 10.621 -4.126 -0.275) 11.397 21.043 ( 4.205 -4.851 -3.472) 7.299 21.222 ( 1.112 -1.108 0.743) 1.736 21.250 ( 0.936 -3.276 -1.551) 3.743 21.541 ( -1.474 0.762 -0.172) 1.668 21.871 ( -4.662 9.747 -0.962) 10.848 22.649 ( 4.006 0.377 3.924) 5.620 30.555 ( -6.012 -2.530 0.583) 6.549 30.794 ( 0.581 0.572 -0.894) 1.210 32.149 ( 5.829 1.527 0.681) 6.064 38.232 ( -5.874 4.543 0.019) 7.426 38.686 ( -9.043 4.177 0.154) 9.962 40.067 ( -14.768 -11.365 -4.856) 19.257 41.212 ( 10.462 -1.350 4.023) 11.289 ======================= Grid point 183 (63/189) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -19.078 -6.711 3.397) 20.507 2.215 ( -13.495 11.954 -0.192) 18.029 2.580 ( -19.263 0.564 9.929) 21.679 2.767 ( 2.121 2.341 -1.427) 3.466 3.712 ( -4.448 1.778 3.260) 5.794 3.742 ( -4.158 2.753 -2.690) 5.666 4.508 ( -9.889 2.313 -0.479) 10.167 4.781 ( -20.151 -3.583 0.766) 20.482 5.580 ( -30.082 -20.710 -0.856) 36.532 5.968 ( -4.764 -3.297 -7.938) 9.827 7.048 ( -16.638 -1.364 -4.110) 17.192 7.440 ( -4.302 -1.324 14.913) 15.577 8.112 ( -10.091 -12.983 -8.484) 18.503 8.718 ( -6.597 -3.965 -0.278) 7.702 9.100 ( -19.724 0.299 -4.100) 20.148 9.339 ( -15.456 -8.507 3.356) 17.959 11.286 ( -8.650 -1.994 0.755) 8.909 13.178 ( 3.368 0.671 -0.340) 3.451 13.715 ( 19.572 7.909 -0.191) 21.110 13.786 ( 21.187 4.584 -0.419) 21.681 14.926 ( -1.658 5.291 -1.738) 5.810 15.641 ( 14.085 2.740 7.115) 16.016 18.313 ( 14.234 0.469 -1.248) 14.297 21.072 ( 3.178 -1.123 -1.561) 3.714 21.222 ( 2.292 -3.286 0.883) 4.102 21.253 ( 2.187 -1.584 -1.648) 3.163 21.512 ( -2.690 1.167 -1.050) 3.115 21.878 ( -3.425 6.098 -0.829) 7.043 22.724 ( 2.948 -0.052 2.314) 3.748 30.444 ( -4.414 -1.615 0.456) 4.722 30.789 ( -0.886 0.022 -1.857) 2.058 32.288 ( 7.720 1.925 2.084) 8.225 38.157 ( -6.633 2.247 -0.456) 7.018 38.557 ( -9.249 1.560 0.625) 9.400 39.650 ( -20.790 -9.518 -1.937) 22.947 41.358 ( 7.488 -1.274 -0.767) 7.634 ======================= Grid point 184 (64/189) ======================= q-point: (-0.08 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -18.516 -6.161 12.138) 22.981 1.974 ( -24.014 2.774 -0.988) 24.194 2.176 ( -30.194 -2.789 14.058) 33.423 2.712 ( -12.403 -4.813 1.915) 13.441 3.470 ( -19.241 5.850 -0.350) 20.113 3.674 ( -14.550 -11.416 2.429) 18.653 4.367 ( -7.870 -2.636 -4.183) 9.294 4.455 ( -13.750 5.057 4.617) 15.361 4.870 ( -23.907 -13.113 -0.088) 27.267 5.803 ( -11.134 0.076 -7.617) 13.491 6.730 ( -15.287 -2.003 -6.098) 16.580 7.401 ( 0.389 -7.545 2.312) 7.901 7.904 ( -5.281 2.231 -2.821) 6.390 8.523 ( -12.789 -3.430 1.617) 13.340 8.813 ( -12.254 0.796 -3.066) 12.657 9.089 ( -9.393 -2.846 5.131) 11.075 11.108 ( -8.995 -1.485 -0.685) 9.142 13.207 ( 0.398 0.184 1.321) 1.392 14.103 ( 17.666 4.983 -0.824) 18.374 14.181 ( 19.651 2.562 0.480) 19.823 14.900 ( -4.478 1.412 0.076) 4.696 15.923 ( 14.667 -0.490 1.167) 14.722 18.583 ( 15.466 2.521 -1.194) 15.716 21.098 ( 0.420 0.312 0.816) 0.969 21.261 ( 3.056 0.143 0.409) 3.086 21.285 ( 5.415 -2.564 -0.883) 6.056 21.469 ( -3.321 1.216 -0.810) 3.628 21.874 ( -1.360 2.956 -1.536) 3.598 22.750 ( -0.299 -0.833 0.506) 1.020 30.389 ( -0.941 -0.406 0.065) 1.027 30.755 ( -1.805 -0.093 -3.822) 4.227 32.461 ( 9.133 1.399 6.158) 11.104 38.057 ( -6.223 0.717 -0.572) 6.290 38.417 ( -7.917 -0.312 0.655) 7.950 39.176 ( -25.398 -5.464 0.546) 25.984 41.424 ( 3.322 -1.224 -11.149) 11.698 ======================= Grid point 188 (65/189) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -0.000 4.761 26.479) 26.904 1.854 ( 0.000 35.749 0.662) 35.755 1.992 ( -0.000 21.355 32.878) 39.204 2.673 ( -0.000 20.302 15.278) 25.409 2.982 ( 0.000 45.007 8.440) 45.792 3.618 ( 0.000 16.794 -4.392) 17.359 4.047 ( 0.000 11.658 -8.868) 14.647 4.496 ( -0.000 9.490 14.182) 17.064 4.719 ( 0.000 7.199 1.657) 7.387 5.503 ( 0.000 -2.165 -13.705) 13.875 6.355 ( 0.000 10.731 -16.281) 19.499 7.268 ( 0.000 14.211 -12.509) 18.932 7.819 ( 0.000 -1.888 -2.518) 3.147 8.382 ( 0.000 14.885 -1.826) 14.997 8.686 ( -0.000 5.555 6.827) 8.801 9.100 ( -0.000 8.342 6.554) 10.609 10.987 ( 0.000 5.709 -1.508) 5.905 13.309 ( -0.000 -5.677 7.654) 9.529 14.288 ( -0.000 -15.476 -0.589) 15.487 14.424 ( -0.000 -14.599 0.665) 14.614 14.840 ( -0.000 4.599 1.442) 4.820 15.948 ( 0.000 3.983 -16.382) 16.859 18.766 ( -0.000 -14.683 1.502) 14.760 21.159 ( -0.000 -3.794 3.509) 5.168 21.319 ( -0.000 -1.963 1.104) 2.252 21.354 ( -0.000 -3.974 -0.763) 4.047 21.408 ( -0.000 0.952 0.429) 1.044 21.794 ( 0.000 -1.843 -4.241) 4.624 22.735 ( 0.000 3.884 0.002) 3.884 30.384 ( 0.000 -0.696 -1.116) 1.315 30.622 ( 0.000 0.973 -5.947) 6.026 32.870 ( -0.000 -20.067 19.000) 27.635 37.966 ( 0.000 3.810 -0.484) 3.840 38.340 ( 0.000 5.899 0.618) 5.931 38.872 ( 0.000 27.449 3.835) 27.715 40.811 ( 0.000 29.161 -45.221) 53.808 ======================= Grid point 189 (66/189) ======================= q-point: ( 0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 6.728 1.359 25.124) 26.044 2.179 ( 2.941 26.456 12.850) 29.558 2.520 ( 22.839 20.836 19.614) 36.612 2.817 ( -0.978 5.755 6.029) 8.392 3.491 ( 12.316 17.360 4.512) 21.758 3.754 ( -4.036 19.404 1.870) 19.907 4.162 ( 1.685 10.154 -3.871) 10.996 4.709 ( 7.620 13.004 9.634) 17.888 4.867 ( 1.389 20.871 0.937) 20.938 5.521 ( 9.824 0.865 -19.482) 21.836 6.468 ( 5.514 15.175 -16.720) 23.243 7.281 ( -9.725 16.204 -6.729) 20.061 7.901 ( 8.125 1.706 -4.356) 9.375 8.550 ( 2.840 13.452 1.483) 13.828 8.856 ( 9.768 9.369 8.327) 15.891 9.229 ( 1.616 9.427 6.025) 11.304 11.069 ( 2.644 7.961 -2.760) 8.831 13.272 ( -0.966 -4.496 4.214) 6.238 14.086 ( -4.195 -18.265 -0.604) 18.750 14.193 ( -8.051 -17.902 0.596) 19.638 14.930 ( 4.784 2.546 2.812) 6.105 15.826 ( -9.283 -1.838 -9.967) 13.744 18.574 ( -5.503 -15.004 0.854) 16.004 21.132 ( -0.156 -3.504 1.883) 3.981 21.246 ( -4.821 -2.103 -0.934) 5.342 21.305 ( -0.353 -3.655 2.099) 4.229 21.458 ( 3.308 1.098 -0.284) 3.497 21.822 ( 4.371 0.845 -2.933) 5.331 22.743 ( -2.154 1.009 -1.004) 2.582 30.383 ( 0.116 1.736 -0.671) 1.864 30.626 ( 1.262 2.266 -6.456) 6.958 32.686 ( -6.263 -15.705 12.480) 21.015 38.046 ( 4.237 4.615 -0.453) 6.281 38.429 ( 2.905 7.502 0.442) 8.057 39.254 ( 10.526 24.720 7.114) 27.794 40.928 ( 1.633 15.701 -31.655) 35.373 ======================= Grid point 190 (67/189) ======================= q-point: ( 0.42 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 5.783 -0.332 21.551) 22.316 2.532 ( 3.566 20.536 13.058) 24.596 2.812 ( -1.018 -2.024 1.187) 2.557 3.130 ( 8.795 18.209 19.550) 28.127 3.668 ( 2.185 7.381 -0.784) 7.737 3.948 ( 5.246 3.446 4.615) 7.791 4.303 ( 6.703 17.875 -4.210) 19.549 4.993 ( 13.077 4.032 4.963) 14.557 5.167 ( 5.792 22.069 -12.443) 25.989 5.714 ( 11.779 11.218 -7.603) 17.955 6.733 ( 12.432 18.470 -14.741) 26.702 7.304 ( -2.733 15.929 -1.246) 16.210 8.017 ( 5.123 1.855 -5.108) 7.468 8.749 ( 6.854 8.129 5.491) 11.967 9.230 ( 15.412 12.763 6.903) 21.168 9.371 ( 2.096 10.071 4.582) 11.261 11.201 ( 3.326 8.826 -3.493) 10.057 13.210 ( -2.313 -5.090 1.279) 5.736 13.771 ( -11.270 -18.507 -1.137) 21.698 13.852 ( -9.262 -18.748 0.903) 20.930 15.049 ( 5.494 0.970 3.390) 6.529 15.573 ( -13.939 -2.404 -4.675) 14.897 18.313 ( -7.111 -15.454 0.245) 17.014 21.064 ( -2.114 -6.948 0.184) 7.265 21.186 ( -0.398 -0.120 0.644) 0.767 21.293 ( 1.055 -2.368 2.874) 3.870 21.511 ( 1.800 1.244 -1.699) 2.770 21.907 ( 2.742 4.763 -1.750) 5.768 22.676 ( -4.149 -1.860 -2.100) 5.008 30.428 ( 1.815 4.410 0.120) 4.770 30.662 ( 2.442 2.717 -5.789) 6.845 32.462 ( -7.656 -11.857 7.184) 15.837 38.176 ( 4.274 6.606 -0.654) 7.896 38.588 ( 5.027 10.146 0.467) 11.333 39.707 ( 14.679 16.098 9.895) 23.928 40.936 ( -1.564 4.758 -21.808) 22.376 ======================= Grid point 191 (68/189) ======================= q-point: ( 0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 4.396 0.019 14.811) 15.450 2.649 ( -11.786 8.565 8.048) 16.644 2.848 ( 2.800 6.004 3.856) 7.666 3.232 ( -14.088 10.080 14.268) 22.442 3.713 ( -2.798 4.738 -4.240) 6.947 4.157 ( 12.488 1.083 5.004) 13.497 4.620 ( 5.938 19.526 -4.574) 20.915 5.210 ( 6.972 -1.464 -5.655) 9.096 5.419 ( 8.879 20.300 -6.810) 23.179 6.081 ( 15.234 18.513 0.208) 23.976 7.072 ( 8.558 17.416 -12.244) 22.944 7.518 ( 9.530 11.361 4.688) 15.552 8.129 ( 12.491 0.474 -5.574) 13.686 8.964 ( 6.986 6.296 6.099) 11.209 9.493 ( 7.121 3.533 1.863) 8.164 9.631 ( 10.963 9.207 4.842) 15.113 11.265 ( -2.012 -0.300 -2.377) 3.129 13.071 ( -6.630 -10.124 -0.671) 12.120 13.409 ( -10.498 -11.777 -1.022) 15.810 13.571 ( -5.681 -9.726 0.902) 11.300 15.150 ( 4.010 1.111 1.824) 4.543 15.297 ( -16.376 1.433 -0.452) 16.445 18.055 ( -4.165 -16.829 0.343) 17.340 20.965 ( 0.325 -9.272 -0.157) 9.279 21.199 ( 0.755 0.737 0.792) 1.320 21.297 ( 0.575 -2.267 2.448) 3.385 21.538 ( 0.279 2.400 -1.948) 3.104 21.985 ( -0.767 8.465 -1.465) 8.624 22.577 ( -3.031 -3.248 -1.673) 4.746 30.526 ( 3.443 5.440 0.739) 6.480 30.713 ( 2.447 2.021 -4.071) 5.162 32.255 ( -6.792 -8.720 3.577) 11.617 38.303 ( 1.675 9.131 -0.745) 9.313 38.783 ( 3.618 13.039 0.545) 13.543 40.113 ( 15.855 5.948 10.767) 20.067 40.827 ( -3.946 -3.267 -15.786) 16.596 ======================= Grid point 192 (69/189) ======================= q-point: ( 0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 3.734 1.098 7.713) 8.639 2.524 ( -13.525 8.191 5.984) 16.906 2.890 ( -11.807 13.301 7.102) 19.151 3.136 ( -6.250 0.636 12.814) 14.271 3.677 ( -2.991 3.011 -14.251) 14.870 4.327 ( 6.944 -1.467 1.837) 7.331 4.773 ( -6.974 19.504 -11.021) 23.463 5.237 ( -0.706 1.334 4.646) 4.885 5.770 ( 7.046 20.336 2.169) 21.631 6.544 ( 14.437 19.818 -1.067) 24.542 7.243 ( 1.361 8.406 -8.444) 11.992 7.702 ( 0.637 3.287 5.484) 6.425 8.504 ( 26.055 6.186 -5.785) 27.397 9.132 ( 5.526 3.565 3.761) 7.575 9.603 ( 0.750 -7.459 0.788) 7.538 9.863 ( 15.325 0.088 0.892) 15.351 11.069 ( -8.085 -19.261 1.467) 20.940 12.817 ( -7.746 -9.913 -1.869) 12.718 13.231 ( -3.933 0.510 -0.659) 4.020 13.495 ( -0.611 0.986 0.587) 1.301 15.047 ( -16.495 7.345 0.589) 18.066 15.231 ( 1.720 2.867 1.321) 3.595 17.864 ( 1.769 -17.516 0.924) 17.629 20.893 ( 3.049 -10.849 -1.540) 11.374 21.220 ( 0.234 0.940 0.814) 1.265 21.282 ( -0.422 -1.988 0.961) 2.248 21.560 ( -0.600 3.350 -0.294) 3.416 22.034 ( -3.575 10.492 -2.137) 11.289 22.517 ( 0.071 -2.868 0.478) 2.908 30.640 ( 3.570 4.401 0.659) 5.705 30.746 ( 0.809 0.609 -2.012) 2.253 32.099 ( -4.001 -5.463 1.412) 6.917 38.399 ( -1.862 10.734 -0.412) 10.902 38.945 ( -1.544 14.885 0.427) 14.971 40.424 ( 14.149 -4.303 8.892) 17.256 40.656 ( -2.637 -6.715 -10.985) 13.142 ======================= Grid point 193 (70/189) ======================= q-point: (-0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 2.423 0.226 1.629) 2.929 2.422 ( -12.291 12.514 6.522) 18.714 2.848 ( -11.759 17.166 8.712) 22.558 3.081 ( -5.094 -2.510 8.753) 10.434 3.571 ( -1.943 -3.794 -14.733) 15.337 4.370 ( -2.107 -0.414 -2.719) 3.464 4.780 ( -7.482 20.671 -11.983) 25.038 5.259 ( -4.253 6.062 8.187) 11.039 6.015 ( -0.904 14.039 7.817) 16.094 6.814 ( -5.470 11.808 -2.635) 13.277 7.275 ( 2.989 1.411 -1.982) 3.854 7.715 ( -3.269 2.445 2.310) 4.691 8.835 ( 0.326 9.776 -3.003) 10.232 9.257 ( -1.740 -24.578 -4.753) 25.093 9.352 ( 4.450 -3.829 -0.185) 5.873 10.127 ( 5.950 -5.042 2.023) 8.057 10.814 ( 11.588 -20.768 3.752) 24.076 12.695 ( 2.028 -1.750 -1.650) 3.146 13.238 ( -0.210 5.757 1.347) 5.916 13.479 ( -4.483 1.862 -1.838) 5.190 14.923 ( -9.757 13.929 1.268) 17.053 15.282 ( 0.665 2.811 1.115) 3.096 17.789 ( 8.005 -15.102 1.111) 17.128 20.848 ( 5.157 -10.627 -2.918) 12.168 21.228 ( -0.801 0.983 1.085) 1.669 21.258 ( -0.523 -1.386 -0.306) 1.513 21.579 ( -1.035 2.991 0.817) 3.269 22.055 ( -4.944 10.105 -2.416) 11.506 22.526 ( 2.724 -1.541 2.377) 3.930 30.712 ( -0.965 0.510 -0.014) 1.092 30.743 ( 1.035 1.034 -0.383) 1.513 32.033 ( 0.409 -2.194 0.511) 2.290 38.441 ( -5.328 10.183 0.005) 11.493 39.007 ( -8.160 13.778 0.297) 16.015 40.371 ( -4.068 -13.354 -5.609) 15.044 40.751 ( 14.983 -3.820 4.399) 16.076 ======================= Grid point 194 (71/189) ======================= q-point: (-0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( -7.831 -2.468 -2.735) 8.655 2.429 ( -5.265 14.528 7.865) 17.339 2.851 ( -5.073 3.613 -5.346) 8.208 3.014 ( -8.901 10.254 16.667) 21.498 3.484 ( 2.815 -5.609 -4.917) 7.972 4.230 ( -11.996 2.391 -6.424) 13.817 4.848 ( -6.046 19.174 -6.774) 21.215 5.245 ( -7.067 5.025 2.748) 9.096 6.051 ( -9.561 5.827 8.036) 13.782 6.543 ( -21.266 -10.940 -3.496) 24.169 7.387 ( -0.577 9.948 2.251) 10.216 7.648 ( -6.718 1.022 -0.188) 6.798 8.571 ( -17.314 -25.235 -3.850) 30.845 8.933 ( -6.996 -1.105 -1.699) 7.284 9.502 ( 2.298 0.930 -2.113) 3.257 9.881 ( -12.818 -16.871 1.865) 21.270 11.123 ( 24.535 -3.311 2.797) 24.915 12.830 ( 12.775 1.989 -1.348) 12.999 13.319 ( 1.692 5.866 3.039) 6.820 13.398 ( -1.602 0.258 -3.439) 3.803 14.975 ( -2.664 14.282 -0.876) 14.555 15.330 ( 3.094 0.277 3.685) 4.820 17.850 ( 12.783 -9.174 0.431) 15.740 20.850 ( 7.168 -7.703 -2.700) 10.863 21.217 ( -1.232 -0.343 0.365) 1.330 21.242 ( -0.387 0.002 0.033) 0.388 21.584 ( -1.566 1.967 0.420) 2.549 22.048 ( -5.549 7.934 -1.593) 9.812 22.585 ( 4.285 -0.904 2.260) 4.928 30.637 ( -5.494 -1.567 0.347) 5.723 30.783 ( 1.262 0.986 -0.790) 1.786 32.069 ( 4.549 -0.096 0.610) 4.591 38.414 ( -7.874 7.232 0.044) 10.691 38.940 ( -12.642 9.117 0.284) 15.589 40.135 ( -7.747 -10.609 -3.395) 13.568 40.978 ( 14.599 -4.345 2.232) 15.394 ======================= Grid point 195 (72/189) ======================= q-point: (-0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -16.791 -2.394 -2.911) 17.208 2.518 ( -5.047 10.844 4.871) 12.915 2.725 ( -4.228 -5.622 2.138) 7.353 2.994 ( -13.847 8.155 10.439) 19.163 3.582 ( 11.612 0.171 2.068) 11.796 4.006 ( -14.919 3.462 -3.694) 15.754 4.825 ( -16.219 14.342 -3.411) 21.917 5.075 ( -15.394 -3.292 -0.265) 15.744 5.873 ( -20.860 -3.439 1.885) 21.226 6.021 ( -14.080 -10.721 -4.781) 18.331 7.327 ( -15.611 5.336 -5.375) 17.352 7.547 ( -6.281 -2.769 4.983) 8.482 8.110 ( -7.985 -14.195 -1.883) 16.396 8.815 ( -7.632 1.049 0.038) 7.704 9.401 ( -13.242 2.140 -0.604) 13.428 9.531 ( -14.529 -8.588 2.342) 17.039 11.352 ( 2.669 -1.144 0.365) 2.927 13.070 ( 10.993 1.159 -0.576) 11.069 13.473 ( 13.963 2.533 0.466) 14.198 13.502 ( 12.533 2.220 -0.795) 12.752 15.032 ( -3.715 7.530 -1.297) 8.496 15.449 ( 10.450 -1.984 3.870) 11.319 18.039 ( 15.845 -2.584 -0.319) 16.058 20.926 ( 8.628 -2.904 -1.231) 9.186 21.191 ( -1.038 -0.806 0.171) 1.325 21.239 ( -0.154 0.158 0.372) 0.432 21.567 ( -2.262 1.210 -0.369) 2.591 22.009 ( -5.591 4.244 -0.802) 7.065 22.658 ( 4.568 -1.053 0.604) 4.727 30.522 ( -6.048 -1.135 0.362) 6.164 30.794 ( -0.181 0.416 -1.816) 1.872 32.177 ( 7.234 0.383 1.689) 7.438 38.320 ( -8.886 3.169 -0.262) 9.438 38.777 ( -13.228 3.338 0.340) 13.647 39.873 ( -13.863 -4.758 0.206) 14.658 41.168 ( 11.676 -2.881 -2.402) 12.264 ======================= Grid point 196 (73/189) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -18.235 -0.959 5.501) 19.071 2.367 ( -18.746 0.218 -0.338) 18.751 2.647 ( -12.595 -3.248 17.166) 21.537 2.823 ( -8.519 1.729 4.047) 9.589 3.708 ( -5.808 -2.393 -4.272) 7.596 3.824 ( -5.799 3.157 6.076) 8.973 4.490 ( -20.370 -5.518 -10.012) 23.359 4.806 ( -16.629 6.149 9.777) 20.246 5.313 ( -31.903 -1.690 -2.425) 32.040 5.910 ( -2.788 3.881 -6.874) 8.372 7.009 ( -20.329 1.085 -9.087) 22.294 7.359 ( -7.105 -9.671 -3.427) 12.480 8.012 ( -2.671 5.232 4.280) 7.268 8.688 ( -8.684 0.696 0.445) 8.723 9.138 ( -21.354 3.653 1.051) 21.690 9.256 ( -10.988 -2.132 5.187) 12.337 11.258 ( -9.178 -0.684 -1.628) 9.346 13.187 ( 3.186 0.285 0.698) 3.274 13.798 ( 20.807 -1.059 -1.362) 20.879 13.830 ( 21.570 1.496 1.196) 21.655 14.999 ( -4.771 1.537 1.271) 5.171 15.640 ( 14.377 -4.979 -1.640) 15.303 18.315 ( 17.006 0.870 -0.241) 17.030 21.057 ( 6.392 0.992 0.311) 6.476 21.180 ( 1.420 -0.305 -0.087) 1.455 21.249 ( 0.924 0.871 1.263) 1.791 21.531 ( -2.731 0.555 -0.360) 2.810 21.939 ( -4.493 0.133 -0.993) 4.603 22.713 ( 3.125 -1.368 -1.108) 3.587 30.427 ( -4.077 -0.260 0.010) 4.085 30.773 ( -1.595 0.368 -3.628) 3.980 32.327 ( 9.088 -0.399 4.396) 10.103 38.187 ( -8.106 0.216 -0.335) 8.115 38.580 ( -11.208 -0.400 0.194) 11.217 39.567 ( -21.160 1.842 3.440) 21.517 41.288 ( 6.930 -1.352 -9.883) 12.146 ======================= Grid point 201 (74/189) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -0.000 0.215 21.475) 21.476 2.338 ( 0.000 13.378 -2.517) 13.612 2.596 ( -0.000 14.998 28.952) 32.606 2.877 ( -0.000 2.808 6.031) 6.652 3.513 ( 0.000 9.546 1.532) 9.668 4.001 ( -0.000 9.369 6.096) 11.177 4.204 ( 0.000 6.615 -2.338) 7.016 4.842 ( -0.000 15.297 14.699) 21.215 5.155 ( 0.000 35.349 -4.247) 35.603 5.386 ( 0.000 8.803 -21.288) 23.036 6.517 ( 0.000 16.427 -17.048) 23.675 7.558 ( 0.000 20.616 -8.524) 22.309 7.822 ( 0.000 4.026 -0.904) 4.126 8.713 ( 0.000 18.600 1.508) 18.661 8.851 ( -0.000 5.958 9.527) 11.237 9.351 ( -0.000 13.087 5.958) 14.380 11.122 ( 0.000 9.836 -3.199) 10.343 13.246 ( -0.000 -4.903 2.618) 5.558 13.922 ( -0.000 -20.869 -0.436) 20.873 14.083 ( -0.000 -20.439 1.006) 20.463 14.900 ( -0.000 -0.717 2.526) 2.626 15.833 ( 0.000 -6.321 -8.235) 10.382 18.493 ( -0.000 -12.953 2.040) 13.113 21.096 ( -0.000 -4.114 0.584) 4.155 21.281 ( -0.000 -2.557 1.086) 2.778 21.303 ( -0.000 -0.805 0.344) 0.875 21.428 ( 0.000 1.235 -0.619) 1.381 21.755 ( 0.000 -0.449 -2.652) 2.690 22.774 ( 0.000 0.619 -0.875) 1.072 30.405 ( 0.000 3.617 -0.382) 3.637 30.618 ( 0.000 2.755 -6.001) 6.603 32.617 ( -0.000 -16.012 9.589) 18.664 38.044 ( 0.000 4.337 -0.572) 4.375 38.468 ( 0.000 6.330 0.690) 6.367 39.454 ( -0.000 26.144 7.761) 27.272 40.978 ( 0.000 14.349 -25.854) 29.569 ======================= Grid point 202 (75/189) ======================= q-point: ( 0.42 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 6.138 -1.879 18.532) 19.612 2.533 ( 12.640 2.009 -2.651) 13.071 2.872 ( 1.512 5.621 17.111) 18.074 3.031 ( 15.482 11.894 15.875) 25.163 3.630 ( 6.811 -0.037 -4.144) 7.973 4.013 ( -5.348 0.077 9.617) 11.004 4.281 ( 6.452 4.790 -7.765) 11.174 4.980 ( -1.881 11.560 3.093) 12.114 5.425 ( -4.336 30.973 -12.338) 33.621 5.640 ( 12.325 23.047 0.193) 26.137 6.678 ( 7.421 16.070 -15.962) 23.835 7.595 ( -10.400 18.185 -3.864) 21.303 7.970 ( 5.338 8.382 -3.061) 10.399 8.812 ( -2.147 9.871 6.285) 11.897 9.136 ( 13.258 13.728 6.306) 20.100 9.502 ( -1.003 14.662 4.491) 15.367 11.237 ( 2.106 10.814 -3.389) 11.527 13.188 ( -1.287 -6.631 0.767) 6.798 13.690 ( -3.059 -20.311 -0.771) 20.554 13.808 ( -7.239 -20.840 1.230) 22.096 14.942 ( 6.042 -3.431 2.624) 7.428 15.680 ( -5.840 -7.506 -5.403) 10.938 18.318 ( -7.718 -10.930 1.847) 13.507 21.040 ( -2.165 -5.622 -0.012) 6.025 21.224 ( -3.677 -0.183 0.100) 3.683 21.278 ( -0.078 -1.019 2.503) 2.703 21.480 ( 2.891 1.789 -1.082) 3.567 21.820 ( 7.789 0.205 -2.105) 8.071 22.733 ( -4.103 -0.776 -1.660) 4.494 30.457 ( 0.785 5.700 0.312) 5.763 30.639 ( 1.334 3.082 -5.270) 6.249 32.460 ( -3.989 -13.584 6.036) 15.391 38.136 ( 5.533 4.705 -0.616) 7.289 38.580 ( 5.434 7.172 0.564) 9.016 39.760 ( 4.549 20.067 9.207) 22.542 40.985 ( -3.798 8.408 -19.401) 21.483 ======================= Grid point 203 (76/189) ======================= q-point: ( 0.50 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 6.155 -2.893 14.935) 16.410 2.698 ( 8.871 -5.870 -2.309) 10.886 2.954 ( -4.300 10.031 13.180) 17.112 3.500 ( 8.276 6.813 17.291) 20.344 3.701 ( 4.846 -0.620 -4.860) 6.891 3.978 ( 3.858 -0.585 3.925) 5.535 4.497 ( 19.449 1.225 -10.247) 22.017 5.091 ( 1.985 9.599 -1.466) 9.912 5.619 ( -2.760 32.366 -10.220) 34.053 6.073 ( 11.998 20.316 4.835) 24.085 6.987 ( 15.079 16.245 -12.528) 25.461 7.620 ( -3.932 14.891 1.117) 15.442 8.064 ( -2.027 7.681 -3.475) 8.671 8.939 ( 5.073 6.365 6.719) 10.554 9.464 ( 7.265 8.533 3.324) 11.690 9.633 ( -0.058 11.692 3.139) 12.106 11.308 ( -3.079 2.083 -2.713) 4.602 13.052 ( -4.398 -12.546 -0.415) 13.301 13.423 ( -6.415 -13.952 -1.545) 15.433 13.547 ( -3.149 -10.852 1.615) 11.414 15.044 ( 8.251 -2.705 1.871) 8.883 15.491 ( -7.338 -4.388 -1.836) 8.745 18.043 ( -11.432 -11.556 0.619) 16.267 20.916 ( -3.980 -7.437 0.647) 8.460 21.204 ( -0.122 1.017 0.674) 1.226 21.284 ( 0.367 -0.765 2.173) 2.333 21.535 ( 1.902 2.458 -1.654) 3.521 21.971 ( 8.278 2.277 -1.125) 8.659 22.623 ( -6.032 -1.553 -2.321) 6.647 30.543 ( 1.852 6.408 1.022) 6.749 30.681 ( 2.088 2.606 -4.048) 5.247 32.276 ( -5.245 -10.392 3.176) 12.066 38.301 ( 7.200 6.303 -0.704) 9.595 38.791 ( 8.969 9.742 0.396) 13.248 40.034 ( 6.088 9.789 9.855) 15.166 40.873 ( -8.148 1.846 -14.367) 16.620 ======================= Grid point 204 (77/189) ======================= q-point: ( 0.58 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 5.178 -2.574 10.236) 11.756 2.718 ( -0.601 -1.294 -0.748) 1.611 3.008 ( -2.326 3.820 8.596) 9.690 3.499 ( -13.455 5.894 17.363) 22.743 3.700 ( -3.272 0.381 -14.209) 14.586 4.147 ( 11.374 -1.958 0.147) 11.542 4.874 ( 19.715 3.829 0.880) 20.102 5.174 ( 0.113 6.043 -6.376) 8.785 5.922 ( 3.730 31.082 -5.241) 31.741 6.526 ( 16.302 21.583 4.536) 27.425 7.285 ( 3.270 11.397 -9.183) 14.997 7.804 ( 4.779 14.231 5.307) 15.922 8.107 ( 9.158 2.821 -3.986) 10.379 9.129 ( 6.874 4.540 4.915) 9.593 9.582 ( -0.077 6.810 -1.595) 6.995 9.685 ( -0.193 -6.447 3.093) 7.154 11.078 ( -13.750 -18.087 -0.418) 22.724 12.819 ( -6.020 -12.639 -1.079) 14.041 13.273 ( -1.835 -1.026 -1.683) 2.693 13.497 ( 1.552 0.043 1.447) 2.122 15.170 ( 6.200 1.583 0.157) 6.401 15.343 ( -7.863 0.914 1.311) 8.023 17.744 ( -7.969 -13.824 -0.123) 15.957 20.786 ( -2.089 -8.226 0.444) 8.499 21.223 ( 0.588 0.940 0.544) 1.234 21.281 ( -0.414 -0.815 1.009) 1.361 21.586 ( 1.172 3.122 -0.721) 3.412 22.115 ( 4.332 4.907 -0.371) 6.556 22.510 ( -3.692 -1.816 -1.866) 4.518 30.641 ( 2.228 5.077 1.134) 5.660 30.725 ( 1.741 1.519 -2.461) 3.376 32.115 ( -4.327 -6.870 1.325) 8.226 38.477 ( 4.651 8.364 -0.534) 9.585 39.052 ( 7.236 13.323 0.188) 15.162 40.222 ( 7.563 -1.858 8.918) 11.840 40.665 ( -9.325 -3.150 -10.526) 14.411 ======================= Grid point 205 (78/189) ======================= q-point: ( 0.67 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 4.111 -1.797 5.234) 6.894 2.682 ( -5.129 5.564 -0.114) 7.568 2.997 ( -2.794 -2.127 3.203) 4.753 3.405 ( -13.666 9.488 22.398) 27.901 3.532 ( -5.711 -4.128 -18.471) 19.770 4.288 ( 7.594 -1.524 -2.683) 8.197 5.077 ( -6.165 14.416 -3.985) 16.177 5.255 ( 9.082 -1.502 -0.038) 9.205 6.243 ( 0.416 24.994 1.526) 25.044 7.035 ( 10.812 24.980 0.399) 27.222 7.234 ( -6.413 -6.108 -1.928) 9.064 7.893 ( -10.193 16.210 3.126) 19.401 8.553 ( 33.517 2.241 -4.440) 33.884 9.126 ( -8.107 -18.349 -0.912) 20.081 9.446 ( -13.016 4.757 1.771) 13.970 9.828 ( 20.936 -2.922 -0.327) 21.142 10.593 ( -11.969 -27.599 2.174) 30.161 12.656 ( -1.523 -4.965 -1.100) 5.309 13.281 ( 0.450 3.411 -0.353) 3.459 13.545 ( -0.072 2.855 0.024) 2.856 15.220 ( -7.903 8.421 0.659) 11.567 15.296 ( 1.157 2.368 1.032) 2.830 17.545 ( 1.577 -13.648 0.047) 13.739 20.697 ( 0.939 -7.370 -0.665) 7.460 21.240 ( 0.361 0.530 0.369) 0.740 21.264 ( -1.011 -0.533 0.269) 1.174 21.622 ( -0.250 2.493 0.338) 2.529 22.194 ( -1.555 6.308 -0.944) 6.566 22.470 ( 1.596 -1.779 -0.024) 2.390 30.717 ( 1.708 2.671 0.482) 3.207 30.744 ( -0.070 0.316 -0.868) 0.927 32.016 ( -1.473 -3.326 0.426) 3.662 38.597 ( -0.731 8.533 -0.165) 8.566 39.255 ( -1.402 15.218 0.283) 15.285 40.260 ( 0.608 -12.612 0.586) 12.640 40.532 ( 4.149 -2.831 -1.464) 5.232 ======================= Grid point 206 (79/189) ======================= q-point: (-0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 0.183 -0.906 -0.342) 0.985 2.656 ( -5.923 6.681 0.002) 8.929 2.897 ( -4.378 -3.849 -1.116) 5.936 3.337 ( -5.969 -3.567 -0.277) 6.959 3.405 ( -5.348 6.781 13.640) 16.144 4.333 ( -0.458 0.027 -5.190) 5.211 5.084 ( -4.721 13.455 -6.929) 15.854 5.335 ( 0.078 -0.677 0.994) 1.205 6.385 ( -10.123 15.703 5.298) 19.420 6.825 ( -23.235 -8.042 -4.570) 25.008 7.467 ( 9.479 11.213 4.037) 15.227 7.842 ( -13.827 12.646 0.240) 18.740 8.561 ( -16.870 -30.312 -3.849) 34.903 9.025 ( 8.959 5.788 -2.273) 10.906 9.420 ( 2.597 7.732 1.563) 8.305 9.888 ( -7.777 -16.737 0.249) 18.457 10.570 ( 31.605 -5.884 1.875) 32.203 12.670 ( 6.300 -0.057 -0.830) 6.355 13.327 ( 1.598 1.815 0.288) 2.435 13.505 ( -6.846 1.622 -0.560) 7.058 15.185 ( -6.432 10.211 0.307) 12.072 15.313 ( -0.627 -1.637 1.196) 2.122 17.551 ( 11.122 -7.615 0.099) 13.480 20.683 ( 4.539 -3.926 -0.864) 6.064 21.239 ( -1.247 -0.188 -0.213) 1.279 21.249 ( -0.197 0.109 0.650) 0.688 21.627 ( -1.318 1.123 0.345) 1.766 22.190 ( -4.329 4.431 -0.935) 6.265 22.509 ( 3.798 -1.183 0.454) 4.004 30.706 ( -3.525 -0.374 0.037) 3.545 30.766 ( 1.497 0.854 -0.277) 1.745 32.005 ( 2.316 -0.858 0.292) 2.487 38.605 ( -6.248 5.089 -0.047) 8.058 39.260 ( -12.538 9.104 0.312) 15.498 40.116 ( -2.305 -7.478 -1.280) 7.929 40.680 ( 14.559 -3.996 0.486) 15.105 ======================= Grid point 207 (80/189) ======================= q-point: (-0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -9.530 0.467 -5.431) 10.979 2.584 ( -2.157 -5.683 0.586) 6.107 2.831 ( -4.879 4.410 3.686) 7.539 3.193 ( -3.526 -11.016 2.473) 11.828 3.490 ( 0.135 7.915 14.232) 16.285 4.244 ( -9.144 2.877 -2.816) 9.991 5.093 ( -5.282 0.810 -10.012) 11.349 5.255 ( -7.823 2.567 2.989) 8.759 6.145 ( -20.552 -12.474 -7.254) 25.112 6.365 ( -26.039 8.220 5.399) 27.834 7.539 ( -5.265 -6.981 -5.045) 10.095 7.695 ( -11.876 3.273 2.127) 12.501 8.161 ( -9.844 3.741 -0.049) 10.531 8.995 ( -10.176 1.845 2.161) 10.566 9.589 ( 3.218 0.623 1.711) 3.697 9.613 ( -10.273 -0.803 -0.284) 10.308 11.090 ( 26.364 -1.497 -0.213) 26.407 12.849 ( 13.685 0.642 -0.491) 13.709 13.354 ( 1.761 -2.065 -3.143) 4.153 13.425 ( -1.068 2.234 2.934) 3.839 15.172 ( -5.449 3.988 -0.241) 6.757 15.292 ( 4.171 -5.562 1.191) 7.053 17.749 ( 15.671 0.016 -0.124) 15.672 20.773 ( 7.681 1.324 0.236) 7.798 21.212 ( -1.534 -0.092 -0.009) 1.537 21.248 ( -0.289 0.057 0.757) 0.812 21.605 ( -1.761 -0.237 -0.291) 1.801 22.129 ( -5.640 0.661 -0.281) 5.685 22.566 ( 4.394 -1.232 -1.015) 4.675 30.620 ( -5.869 -0.180 0.228) 5.876 30.789 ( 0.708 0.275 -1.069) 1.311 32.071 ( 5.510 -0.192 0.848) 5.578 38.493 ( -9.109 -0.084 -0.300) 9.114 39.048 ( -15.685 -0.284 0.026) 15.688 40.033 ( -6.187 2.475 2.665) 7.177 40.904 ( 14.843 -1.863 -3.554) 15.376 ======================= Grid point 208 (81/189) ======================= q-point: (-0.08 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -15.326 0.692 -1.347) 15.400 2.490 ( -1.188 -11.471 3.055) 11.930 2.777 ( -7.753 1.598 4.293) 9.005 3.004 ( -7.545 -11.617 9.064) 16.554 3.623 ( 4.712 0.648 6.327) 7.915 4.080 ( -13.847 3.113 3.114) 14.530 4.751 ( -18.779 -9.596 -7.282) 22.311 5.165 ( -13.612 0.844 5.980) 14.892 5.701 ( -13.169 0.700 -13.687) 19.007 6.088 ( -18.285 9.477 0.485) 20.600 7.293 ( -13.691 -3.134 -7.862) 16.096 7.471 ( -13.665 -1.949 -0.680) 13.820 8.173 ( -5.943 16.047 1.923) 17.220 8.852 ( -8.441 1.318 3.703) 9.311 9.445 ( -10.052 1.832 2.719) 10.574 9.533 ( -15.875 6.661 3.117) 17.496 11.320 ( 2.923 -1.132 -2.474) 3.993 13.078 ( 10.874 -0.379 0.055) 10.881 13.439 ( 14.457 -3.874 -1.791) 15.073 13.541 ( 12.252 -0.230 1.901) 12.400 15.082 ( -4.317 -3.990 3.396) 6.790 15.359 ( 9.791 -5.817 -4.306) 12.175 18.047 ( 16.385 3.387 0.397) 16.736 20.954 ( 8.397 5.377 1.163) 10.039 21.189 ( -1.147 0.392 0.109) 1.217 21.253 ( 0.414 0.702 1.604) 1.799 21.565 ( -1.828 -1.086 -0.616) 2.214 22.010 ( -6.078 -3.720 -0.719) 7.163 22.624 ( 4.459 -1.507 -2.399) 5.283 30.518 ( -6.130 0.657 0.047) 6.165 30.787 ( -0.654 0.355 -2.437) 2.548 32.185 ( 7.789 -0.993 2.409) 8.213 38.317 ( -8.734 -3.166 -0.500) 9.304 38.775 ( -13.271 -3.547 0.143) 13.737 39.935 ( -14.057 8.480 6.028) 17.488 41.096 ( 10.845 -0.042 -8.989) 14.086 ======================= Grid point 214 (82/189) ======================= q-point: ( 0.42 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -0.000 -3.834 15.852) 16.309 2.336 ( 0.000 -5.800 -8.270) 10.101 2.915 ( -0.000 2.438 23.494) 23.621 3.093 ( -0.000 8.732 10.161) 13.398 3.528 ( 0.000 -2.470 -8.866) 9.204 4.081 ( -0.000 -4.387 14.649) 15.292 4.190 ( 0.000 -1.238 -15.625) 15.674 5.142 ( -0.000 10.492 4.548) 11.436 5.726 ( 0.000 27.139 1.946) 27.209 5.806 ( 0.000 30.318 -7.908) 31.333 6.692 ( 0.000 12.261 -16.248) 20.354 7.878 ( 0.000 8.819 1.257) 8.908 7.999 ( 0.000 20.652 -5.632) 21.407 9.001 ( -0.000 8.113 5.752) 9.945 9.146 ( -0.000 16.561 6.509) 17.794 9.700 ( 0.000 19.215 3.407) 19.515 11.324 ( 0.000 12.344 -3.098) 12.727 13.119 ( -0.000 -10.622 -0.259) 10.625 13.521 ( -0.000 -17.119 -0.428) 17.125 13.665 ( -0.000 -21.741 1.738) 21.810 14.836 ( -0.000 -7.152 2.128) 7.462 15.609 ( 0.000 -10.610 -5.922) 12.151 18.323 ( -0.000 -6.184 3.233) 6.978 21.017 ( -0.000 -3.700 -0.050) 3.700 21.254 ( -0.000 -0.950 0.475) 1.062 21.293 ( -0.000 -1.068 1.282) 1.668 21.458 ( 0.000 2.526 -0.985) 2.712 21.725 ( 0.000 -1.154 -1.671) 2.031 22.758 ( 0.000 -0.999 -1.604) 1.890 30.513 ( 0.000 6.789 0.537) 6.810 30.642 ( 0.000 3.217 -4.217) 5.304 32.379 ( -0.000 -12.854 3.996) 13.461 38.120 ( 0.000 3.676 -0.538) 3.715 38.587 ( 0.000 5.164 0.582) 5.196 39.956 ( -0.000 18.380 8.999) 20.465 41.045 ( 0.000 7.612 -15.621) 17.377 ======================= Grid point 215 (83/189) ======================= q-point: ( 0.50 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 6.785 -5.482 13.514) 16.085 2.394 ( 14.419 -8.169 -4.229) 17.103 3.106 ( 2.899 5.092 13.911) 15.095 3.292 ( 17.963 4.163 10.734) 21.336 3.521 ( 7.075 -4.160 -9.138) 12.283 4.041 ( -3.685 -2.319 7.896) 9.017 4.177 ( 6.874 -3.997 -12.412) 14.741 5.229 ( -2.880 10.514 4.416) 11.762 5.956 ( -3.056 26.544 -5.538) 27.288 6.100 ( 7.113 18.342 1.231) 19.712 6.849 ( 11.041 12.226 -12.665) 20.779 7.845 ( -7.898 5.252 2.506) 9.811 8.238 ( 0.573 21.741 -4.239) 22.158 9.022 ( -4.855 7.784 6.204) 11.074 9.416 ( 8.515 8.108 5.287) 12.892 9.863 ( -5.126 20.059 0.882) 20.723 11.397 ( -4.063 5.523 -2.436) 7.276 12.967 ( -2.152 -15.690 -0.733) 15.854 13.357 ( -2.259 -12.305 -1.606) 12.614 13.474 ( -0.321 -11.927 2.736) 12.241 14.845 ( 8.795 -7.225 1.795) 11.523 15.475 ( -1.489 -8.910 -4.455) 10.072 18.184 ( -11.441 -4.707 2.222) 12.570 20.941 ( -4.710 -4.195 0.529) 6.330 21.229 ( -1.461 0.430 0.234) 1.541 21.280 ( 0.042 -0.780 2.032) 2.177 21.516 ( 2.636 2.441 -1.062) 3.746 21.798 ( 9.635 -0.991 -1.456) 9.795 22.702 ( -4.479 -0.925 -1.935) 4.966 30.590 ( 0.774 6.621 0.837) 6.719 30.669 ( 0.995 2.813 -3.011) 4.239 32.250 ( -2.619 -10.229 2.089) 10.763 38.214 ( 6.889 3.507 -0.532) 7.749 38.706 ( 8.046 5.069 0.442) 9.520 40.138 ( -0.390 11.628 8.576) 14.454 41.001 ( -6.952 4.609 -11.775) 14.430 ======================= Grid point 216 (84/189) ======================= q-point: ( 0.58 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 6.912 -4.693 11.729) 14.400 2.553 ( 12.427 -5.838 -1.467) 13.808 3.149 ( -4.675 2.450 6.971) 8.744 3.564 ( 6.977 -0.283 -18.862) 20.114 3.713 ( 9.141 -0.285 17.969) 20.163 4.019 ( 0.286 2.250 -1.839) 2.920 4.357 ( 28.381 -5.638 -0.927) 28.950 5.281 ( -2.826 7.084 1.714) 7.817 6.152 ( 1.362 24.590 -11.065) 26.999 6.428 ( 13.766 11.201 7.320) 19.197 7.195 ( 17.366 13.043 -9.431) 23.678 7.769 ( -3.199 -1.957 4.128) 5.577 8.388 ( -8.664 25.743 -2.305) 27.259 9.069 ( 1.836 2.425 5.638) 6.406 9.532 ( 1.922 -6.730 2.814) 7.543 9.912 ( -11.146 17.924 -0.902) 21.126 11.174 ( -16.843 -14.055 -1.333) 21.977 12.770 ( -3.293 -12.449 -0.508) 12.887 13.265 ( 0.683 -0.905 -2.194) 2.470 13.448 ( 3.616 -2.777 2.509) 5.204 14.996 ( 13.534 -2.909 1.518) 13.926 15.375 ( -0.639 -4.888 -2.421) 5.492 17.882 ( -17.451 -5.485 0.494) 18.300 20.802 ( -6.234 -4.531 1.193) 7.799 21.228 ( -0.017 0.899 0.434) 0.998 21.281 ( 0.056 -0.714 0.883) 1.137 21.579 ( 2.456 2.436 -0.685) 3.526 21.982 ( 11.951 -0.079 -0.504) 11.962 22.593 ( -6.416 -0.045 -1.823) 6.670 30.667 ( 1.076 4.725 1.077) 4.964 30.705 ( 1.475 1.884 -1.991) 3.113 32.118 ( -3.431 -6.570 0.806) 7.456 38.400 ( 10.137 3.959 -0.456) 10.892 38.953 ( 13.893 6.099 0.145) 15.174 40.216 ( -1.851 2.644 7.202) 7.892 40.825 ( -12.706 1.767 -8.135) 15.190 ======================= Grid point 217 (85/189) ======================= q-point: ( 0.67 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 5.511 -3.268 8.522) 10.662 2.678 ( 6.575 -0.837 -1.198) 6.735 3.072 ( -6.120 -1.873 2.458) 6.856 3.503 ( -4.397 -1.459 -19.890) 20.422 3.767 ( -7.682 2.853 18.542) 20.272 4.101 ( 9.467 -0.771 -5.166) 10.812 4.880 ( 28.844 -1.543 4.096) 29.174 5.277 ( -4.299 4.680 -0.825) 6.408 6.414 ( 6.310 19.695 -7.468) 21.988 6.835 ( 21.161 2.956 8.338) 22.936 7.399 ( -7.744 7.665 -7.744) 13.368 7.921 ( 28.045 -3.462 2.503) 28.369 8.454 ( -14.960 30.461 0.245) 33.937 9.042 ( -4.950 -20.353 3.227) 21.193 9.485 ( 9.507 -6.799 -0.093) 11.689 9.845 ( -15.782 16.714 -1.223) 23.020 10.635 ( -21.154 -22.136 0.037) 30.619 12.638 ( -2.071 -4.447 -0.161) 4.908 13.294 ( 0.969 2.465 -1.081) 2.861 13.527 ( 4.626 0.724 1.014) 4.791 15.214 ( 10.499 1.435 0.731) 10.622 15.336 ( -0.420 -0.830 -0.754) 1.197 17.549 ( -13.342 -5.269 -0.136) 14.346 20.672 ( -4.130 -3.389 0.572) 5.373 21.239 ( 0.331 0.324 0.261) 0.532 21.273 ( -0.471 -0.425 -0.007) 0.635 21.632 ( 1.382 1.463 -0.179) 2.020 22.167 ( 8.545 0.859 0.339) 8.595 22.491 ( -4.816 0.661 -1.018) 4.967 30.718 ( 0.956 1.738 0.592) 2.070 30.739 ( 1.065 1.066 -0.796) 1.704 32.021 ( -2.548 -2.804 0.171) 3.793 38.597 ( 7.621 3.590 -0.182) 8.426 39.263 ( 13.487 6.725 -0.155) 15.071 40.181 ( -2.686 -5.352 3.706) 7.042 40.592 ( -11.820 1.091 -3.638) 12.415 ======================= Grid point 218 (86/189) ======================= q-point: (-0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 3.870 -1.446 4.356) 6.004 2.733 ( -0.525 -0.299 -2.997) 3.057 2.944 ( -4.718 -2.551 -0.847) 5.430 3.300 ( -6.658 -6.492 -13.327) 16.250 3.727 ( -9.075 5.517 21.003) 23.536 4.234 ( 8.104 0.301 -7.593) 11.109 5.182 ( 3.953 -2.644 -3.409) 5.851 5.276 ( 3.088 4.635 3.334) 6.491 6.587 ( -1.662 0.591 0.017) 1.764 7.070 ( -2.373 -3.289 0.075) 4.056 7.328 ( 4.639 4.041 -0.128) 6.154 8.229 ( -11.007 -8.351 0.391) 13.822 8.604 ( 11.886 15.645 -2.980) 19.873 8.681 ( 0.195 -7.205 2.799) 7.732 9.658 ( -12.353 -5.347 -0.977) 13.496 9.757 ( 13.167 5.956 0.855) 14.477 10.220 ( -4.626 -2.608 -0.041) 5.311 12.610 ( 0.944 0.574 0.001) 1.105 13.320 ( 0.477 0.294 -0.004) 0.560 13.577 ( -0.065 -0.058 0.004) 0.088 15.314 ( -0.413 -1.319 -0.029) 1.383 15.319 ( -1.395 0.294 0.029) 1.426 17.400 ( 0.254 0.142 -0.000) 0.291 20.621 ( 0.373 0.206 0.001) 0.426 21.245 ( 0.137 -0.190 -0.043) 0.238 21.259 ( -0.743 -0.131 0.043) 0.756 21.647 ( -0.338 -0.223 -0.002) 0.405 22.255 ( 0.433 0.207 0.001) 0.480 22.457 ( 0.645 0.413 -0.001) 0.765 30.745 ( 0.591 0.366 -0.013) 0.696 30.746 ( -0.308 -0.203 0.013) 0.369 31.982 ( -0.321 -0.182 0.000) 0.369 38.688 ( 0.157 0.099 0.001) 0.185 39.442 ( -0.119 -0.128 -0.002) 0.175 40.097 ( -0.982 -0.436 0.003) 1.074 40.500 ( 1.590 0.833 -0.001) 1.795 ======================= Grid point 219 (87/189) ======================= q-point: (-0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -0.777 1.090 -1.091) 1.727 2.571 ( -7.388 -11.318 -3.658) 14.002 2.934 ( -0.177 5.442 1.431) 5.630 3.081 ( -3.960 -14.465 -4.042) 15.532 3.715 ( -6.844 5.450 18.123) 20.124 4.312 ( 2.060 2.331 -6.173) 6.913 5.110 ( -4.220 -5.177 -2.827) 7.253 5.330 ( -1.261 -2.636 -0.031) 2.922 6.290 ( -15.809 -19.665 -3.735) 25.507 6.918 ( -23.420 10.393 4.433) 26.003 7.380 ( 7.931 -15.532 -4.386) 17.983 7.835 ( -9.585 -11.324 0.013) 14.836 8.618 ( -17.625 31.548 1.026) 36.152 9.086 ( 9.848 -0.540 3.122) 10.345 9.403 ( 4.370 -9.677 0.122) 10.618 9.867 ( -8.651 15.824 -1.548) 18.101 10.549 ( 31.607 3.168 0.016) 31.765 12.679 ( 6.202 1.208 -0.048) 6.319 13.309 ( -0.159 -2.797 -1.184) 3.041 13.525 ( -5.172 -0.275 1.093) 5.293 15.189 ( -4.326 -11.826 0.679) 12.611 15.293 ( -2.819 1.217 -0.643) 3.137 17.548 ( 11.001 7.287 -0.155) 13.196 20.699 ( 5.284 5.557 0.565) 7.689 21.233 ( -1.004 -0.387 -0.241) 1.103 21.253 ( -0.129 0.013 0.535) 0.550 21.620 ( -1.416 -1.751 -0.248) 2.266 22.204 ( -4.232 -2.917 0.350) 5.151 22.492 ( 2.728 -0.103 -1.030) 2.917 30.707 ( -3.777 0.428 0.153) 3.804 30.765 ( 1.559 -0.681 -0.366) 1.740 32.004 ( 2.464 0.546 0.188) 2.530 38.603 ( -6.432 -5.100 -0.163) 8.210 39.253 ( -12.479 -9.374 -0.241) 15.610 40.169 ( -0.522 11.227 3.484) 11.766 40.638 ( 12.615 1.116 -3.366) 13.104 ======================= Grid point 220 (88/189) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( -10.987 1.575 -4.624) 12.025 2.357 ( -0.040 -16.309 4.305) 16.868 2.818 ( -4.859 -21.136 -1.513) 21.740 3.000 ( -0.346 3.812 4.772) 6.117 3.710 ( -5.643 3.161 11.446) 13.147 4.290 ( -6.356 1.758 0.156) 6.596 4.886 ( -11.659 -10.051 -1.877) 15.507 5.220 ( -1.447 -12.258 -0.213) 12.345 5.845 ( -13.828 -7.697 -9.507) 18.461 6.570 ( -22.638 7.612 -0.598) 23.892 7.362 ( -0.492 -2.180 -1.884) 2.923 7.633 ( -7.979 -4.775 -0.016) 9.299 8.594 ( -17.076 22.079 -2.024) 27.985 9.022 ( -7.564 4.062 5.954) 10.448 9.561 ( 4.161 3.013 2.985) 5.942 9.854 ( -11.048 14.541 -0.383) 18.266 11.072 ( 23.582 1.378 -1.665) 23.681 12.842 ( 12.670 -1.330 -0.321) 12.744 13.262 ( 1.514 -5.249 -2.245) 5.906 13.462 ( -1.161 -0.143 2.492) 2.753 15.009 ( 0.447 -16.659 2.255) 16.817 15.255 ( -1.272 0.020 -3.035) 3.291 17.850 ( 13.587 8.903 0.391) 16.249 20.896 ( 7.741 9.704 1.280) 12.480 21.209 ( -0.994 -0.445 0.019) 1.089 21.258 ( 0.239 0.573 1.217) 1.367 21.572 ( -1.432 -2.399 -0.704) 2.881 22.063 ( -6.464 -7.061 -0.331) 9.579 22.535 ( 3.370 -0.600 -2.038) 3.984 30.633 ( -5.731 1.315 0.051) 5.880 30.780 ( 0.896 -0.420 -1.053) 1.445 32.072 ( 5.046 -0.330 0.904) 5.137 38.408 ( -8.004 -7.211 -0.451) 10.783 38.938 ( -12.419 -8.909 0.122) 15.285 40.250 ( -7.413 13.650 7.352) 17.185 40.865 ( 13.346 1.672 -8.309) 15.809 ======================= Grid point 227 (89/189) ======================= q-point: ( 0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -0.000 -8.834 10.436) 13.673 2.177 ( 0.000 -4.223 -1.691) 4.549 3.044 ( -0.000 -3.082 5.852) 6.614 3.240 ( -0.000 4.264 1.459) 4.507 3.409 ( -0.000 -3.847 0.930) 3.958 3.995 ( 0.000 -2.813 -16.766) 17.000 4.145 ( -0.000 -0.602 12.144) 12.159 5.361 ( -0.000 6.721 4.713) 8.209 6.117 ( 0.000 9.100 -4.051) 9.961 6.258 ( 0.000 20.424 -0.004) 20.424 6.817 ( 0.000 10.867 -9.162) 14.214 7.948 ( -0.000 -0.514 1.528) 1.612 8.411 ( 0.000 18.289 -1.532) 18.353 9.211 ( -0.000 10.200 3.759) 10.871 9.416 ( -0.000 5.359 5.499) 7.679 10.121 ( 0.000 20.455 -0.615) 20.464 11.504 ( 0.000 5.959 -2.009) 6.289 12.825 ( -0.000 -15.193 -0.718) 15.210 13.248 ( -0.000 -11.584 -1.834) 11.729 13.376 ( -0.000 -7.818 3.481) 8.558 14.685 ( -0.000 -7.758 0.661) 7.786 15.385 ( 0.000 -7.351 -4.014) 8.376 18.270 ( -0.000 -2.031 1.795) 2.711 20.963 ( -0.000 -2.020 1.246) 2.373 21.242 ( 0.000 -0.440 -0.597) 0.742 21.277 ( -0.000 -1.360 1.914) 2.348 21.506 ( 0.000 2.700 -0.792) 2.814 21.693 ( 0.000 -1.026 -0.701) 1.243 22.725 ( 0.000 -0.763 -2.026) 2.165 30.644 ( 0.000 5.253 -0.031) 5.253 30.681 ( 0.000 2.653 -1.117) 2.878 32.186 ( -0.000 -7.972 0.942) 8.027 38.175 ( 0.000 2.171 -0.357) 2.200 38.670 ( 0.000 2.777 0.363) 2.800 40.275 ( -0.000 7.994 7.140) 10.719 41.076 ( 0.000 4.606 -8.685) 9.831 ======================= Grid point 228 (90/189) ======================= q-point: ( 0.58 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 10.060 -5.857 11.422) 16.309 2.265 ( 12.610 -2.769 0.391) 12.916 3.157 ( 11.438 -4.668 -11.918) 17.166 3.314 ( 5.848 1.584 -4.611) 7.614 3.511 ( 15.057 0.392 15.262) 21.443 3.924 ( 2.201 -2.153 -17.930) 18.192 4.182 ( -0.392 0.613 15.341) 15.358 5.390 ( -2.718 2.322 1.977) 4.085 6.194 ( 4.683 5.691 -11.601) 13.744 6.436 ( 1.987 10.969 7.933) 13.682 7.008 ( 12.469 9.250 -4.175) 16.077 7.870 ( -7.016 -2.226 0.594) 7.384 8.592 ( 4.344 11.526 -0.666) 12.336 9.239 ( -8.161 11.108 3.729) 14.280 9.456 ( -0.335 -7.731 3.774) 8.610 10.238 ( -5.957 14.794 -1.727) 16.041 11.373 ( -16.958 -4.604 -1.999) 17.685 12.697 ( -0.745 -8.050 0.082) 8.085 13.209 ( 4.687 -0.580 -2.566) 5.375 13.350 ( 2.849 -5.352 3.582) 7.042 14.727 ( 11.486 -4.241 0.126) 12.244 15.323 ( 0.256 -2.968 -2.365) 3.804 18.134 ( -13.582 -1.775 0.020) 13.697 20.892 ( -6.371 -1.610 1.958) 6.857 21.240 ( 0.013 0.530 -0.543) 0.759 21.270 ( 0.132 -1.236 1.408) 1.878 21.551 ( 2.424 1.447 -0.642) 2.895 21.778 ( 10.076 -0.212 0.048) 10.078 22.679 ( -3.979 0.077 -1.905) 4.412 30.690 ( 0.939 2.795 -0.544) 2.998 30.705 ( 0.174 1.636 0.246) 1.664 32.110 ( -1.813 -4.237 0.137) 4.610 38.261 ( 7.791 1.451 -0.234) 7.928 38.776 ( 9.724 1.693 0.164) 9.872 40.317 ( -3.315 1.590 5.035) 6.235 41.021 ( -8.463 3.913 -5.186) 10.669 ======================= Grid point 229 (91/189) ======================= q-point: (-0.33 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 7.474 -3.901 11.037) 13.888 2.494 ( 13.462 0.714 0.221) 13.483 3.123 ( -3.003 -4.832 -7.302) 9.257 3.447 ( 7.036 1.406 -14.761) 16.413 3.745 ( 5.611 -2.798 -5.869) 8.588 4.017 ( 8.851 -0.775 5.108) 10.248 4.393 ( 23.202 3.574 14.192) 27.432 5.354 ( -2.293 -0.786 1.129) 2.674 6.333 ( 11.290 4.147 -13.070) 17.761 6.606 ( 8.415 -2.474 11.309) 14.312 7.359 ( 20.274 7.713 -4.696) 22.194 7.701 ( -8.099 -4.959 2.422) 9.800 8.770 ( 6.024 4.559 0.443) 7.568 9.089 ( -18.286 -7.552 3.596) 20.109 9.358 ( 0.557 -0.388 -0.267) 0.729 10.183 ( -10.667 1.353 -0.922) 10.792 10.925 ( -26.395 -0.361 -1.939) 26.469 12.646 ( -1.455 0.580 0.852) 1.783 13.294 ( 1.636 3.188 -1.567) 3.910 13.408 ( 7.964 -3.344 1.850) 8.833 14.959 ( 16.937 -0.896 -0.590) 16.971 15.321 ( 0.853 1.216 -0.787) 1.681 17.824 ( -19.409 -0.392 -0.657) 19.424 20.761 ( -7.596 -0.458 1.530) 7.762 21.238 ( -0.152 -0.266 0.110) 0.326 21.269 ( 0.344 -0.459 -0.481) 0.749 21.603 ( 2.690 0.226 -0.452) 2.737 21.985 ( 12.492 0.527 1.218) 12.563 22.592 ( -5.780 0.861 -1.083) 5.944 30.714 ( 0.497 -0.835 -0.106) 0.978 30.729 ( 1.160 1.300 0.329) 1.773 32.049 ( -2.593 -0.410 -0.300) 2.642 38.441 ( 11.379 0.280 -0.018) 11.383 39.015 ( 16.402 -0.103 -0.132) 16.403 40.237 ( -5.740 -3.562 2.024) 7.052 40.848 ( -14.157 4.050 -1.334) 14.786 ======================= Grid point 230 (92/189) ======================= q-point: (-0.25 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 5.743 -3.041 8.121) 10.401 2.680 ( 5.622 1.299 -1.541) 5.972 2.971 ( -4.219 -5.047 -7.304) 9.829 3.362 ( -9.338 -2.095 -11.156) 14.699 3.812 ( 6.925 -3.029 -7.736) 10.816 4.129 ( 3.463 2.808 8.649) 9.731 4.914 ( 22.460 1.209 6.873) 23.519 5.319 ( -1.060 -1.222 2.429) 2.918 6.488 ( 6.260 -10.319 -2.521) 12.330 6.743 ( 17.610 -12.678 1.438) 21.747 7.509 ( -9.326 3.489 1.511) 10.071 7.857 ( 29.711 -2.727 -2.152) 29.913 8.487 ( -15.597 -29.385 2.891) 33.393 9.002 ( -0.403 16.440 -0.333) 16.448 9.461 ( 7.415 5.561 -2.094) 9.502 9.874 ( -13.830 -15.582 1.351) 20.878 10.613 ( -22.052 22.543 -1.863) 31.590 12.650 ( -2.197 5.318 0.922) 5.827 13.318 ( -0.017 -0.120 1.029) 1.036 13.507 ( 5.758 -2.788 -0.695) 6.435 15.197 ( 11.179 -1.900 -0.780) 11.366 15.336 ( -1.570 0.248 -0.726) 1.747 17.551 ( -12.913 5.504 0.044) 14.037 20.669 ( -4.039 2.749 0.298) 4.895 21.235 ( 0.368 -0.763 -0.024) 0.847 21.266 ( -0.208 -0.106 -0.700) 0.738 21.633 ( 1.215 -1.137 -0.147) 1.671 22.171 ( 7.826 -0.891 0.682) 7.906 22.508 ( -4.553 1.218 0.515) 4.741 30.709 ( 1.267 -2.665 -0.293) 2.965 30.755 ( 0.513 0.629 0.736) 1.096 32.014 ( -2.329 2.065 -0.470) 3.147 38.602 ( 7.524 -3.148 0.213) 8.159 39.264 ( 13.686 -6.648 -0.064) 15.215 40.121 ( -2.374 -1.189 -1.743) 3.176 40.659 ( -12.535 6.072 2.402) 14.134 ======================= Grid point 231 (93/189) ======================= q-point: (-0.17 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 4.631 -1.879 4.581) 6.780 2.588 ( -8.684 -9.635 -6.280) 14.412 2.949 ( 3.336 2.929 -1.619) 4.726 3.085 ( -12.381 -9.526 -4.930) 16.381 3.833 ( 1.159 -2.285 -1.421) 2.930 4.258 ( 4.501 4.103 1.928) 6.389 5.088 ( 0.819 -6.368 0.895) 6.483 5.316 ( -0.852 -3.215 2.734) 4.305 6.258 ( -7.002 -25.723 2.483) 26.775 6.964 ( 19.269 -17.154 -4.416) 26.173 7.331 ( -15.737 0.656 5.079) 16.549 7.841 ( -6.556 -14.427 -1.284) 15.899 8.617 ( 35.522 -0.422 1.231) 35.546 9.113 ( -4.554 12.386 -2.077) 13.359 9.410 ( -12.277 -2.200 -1.254) 12.536 9.850 ( 18.679 0.834 1.579) 18.764 10.555 ( -13.375 28.138 -1.118) 31.175 12.676 ( -1.650 5.858 0.593) 6.115 13.297 ( -1.502 -2.518 1.128) 3.141 13.535 ( 1.711 -3.647 -0.875) 4.122 15.198 ( -8.919 -8.965 -1.113) 12.694 15.289 ( 2.527 -2.620 0.230) 3.648 17.546 ( 0.959 13.219 0.113) 13.254 20.703 ( 2.128 7.756 -0.154) 8.044 21.232 ( 0.128 -0.953 -0.165) 0.976 21.258 ( -0.271 0.104 -0.407) 0.500 21.619 ( -0.789 -2.323 0.055) 2.454 22.205 ( -0.338 -5.169 0.116) 5.181 22.482 ( -0.837 1.705 0.940) 2.119 30.709 ( 2.207 -3.039 -0.250) 3.764 30.760 ( -1.035 0.721 0.631) 1.410 32.007 ( -1.048 2.651 -0.378) 2.876 38.601 ( -1.055 -8.275 0.228) 8.345 39.252 ( -1.800 -15.437 0.045) 15.541 40.206 ( 9.003 7.805 -3.670) 12.468 40.599 ( -4.123 8.588 4.024) 10.341 ======================= Grid point 232 (94/189) ======================= q-point: (-0.08 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 0.647 1.120 0.000) 1.293 2.262 ( -10.306 -17.851 0.000) 20.613 2.724 ( -11.457 -19.845 -0.000) 22.914 3.042 ( 2.527 4.378 -0.000) 5.055 3.818 ( -0.587 -1.016 0.000) 1.174 4.341 ( 0.716 1.239 -0.000) 1.431 4.949 ( -5.986 -10.368 -0.000) 11.972 5.134 ( -8.365 -14.488 -0.000) 16.730 5.912 ( -8.453 -14.641 -0.000) 16.906 6.842 ( -6.373 -11.039 -0.000) 12.746 7.317 ( 3.662 6.343 -0.000) 7.325 7.675 ( -3.947 -6.836 0.000) 7.894 8.872 ( -5.194 -8.995 0.000) 10.387 9.309 ( 10.661 18.465 -0.000) 21.322 9.356 ( 4.574 7.923 -0.000) 9.149 10.103 ( 2.940 5.093 -0.000) 5.880 10.770 ( 11.359 19.675 0.000) 22.718 12.715 ( 1.472 2.549 -0.000) 2.943 13.224 ( -2.865 -4.962 -0.000) 5.729 13.499 ( -1.493 -2.585 -0.000) 2.985 14.908 ( -8.463 -14.659 -0.000) 16.927 15.270 ( -1.298 -2.248 0.000) 2.596 17.777 ( 8.131 14.082 -0.000) 16.261 20.882 ( 6.839 11.846 -0.000) 13.678 21.214 ( -0.836 -1.447 0.000) 1.671 21.262 ( 0.495 0.857 -0.000) 0.990 21.569 ( -1.645 -2.849 -0.000) 3.290 22.084 ( -5.255 -9.101 -0.000) 10.509 22.497 ( 0.635 1.100 -0.000) 1.270 30.713 ( -0.493 -0.854 -0.000) 0.986 30.747 ( -0.091 -0.158 -0.000) 0.182 32.027 ( 0.962 1.667 -0.000) 1.925 38.441 ( -5.764 -9.983 -0.000) 11.527 39.003 ( -7.925 -13.726 0.000) 15.849 40.450 ( 6.428 11.133 -0.000) 12.856 40.687 ( 3.807 6.595 0.000) 7.615 ======================= Grid point 241 (95/189) ======================= q-point: (-0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -0.000 -2.167 12.339) 12.528 2.153 ( -0.000 0.799 2.507) 2.631 2.863 ( 0.000 -6.031 -20.474) 21.343 3.294 ( 0.000 -3.420 -2.090) 4.008 3.448 ( -0.000 4.367 13.545) 14.231 3.853 ( 0.000 -0.186 -15.182) 15.183 4.247 ( -0.000 1.094 14.256) 14.298 5.406 ( 0.000 -3.146 -3.135) 4.441 6.137 ( 0.000 0.256 -9.383) 9.387 6.533 ( -0.000 2.864 9.864) 10.271 6.962 ( 0.000 5.454 1.020) 5.548 7.908 ( 0.000 -2.359 -3.280) 4.040 8.598 ( -0.000 0.925 1.063) 1.409 9.375 ( -0.000 -2.563 1.324) 2.885 9.438 ( -0.000 -1.702 4.567) 4.874 10.355 ( 0.000 0.636 -2.057) 2.153 11.521 ( 0.000 -0.085 -3.384) 3.385 12.667 ( -0.000 1.102 1.257) 1.672 13.132 ( 0.000 1.045 -1.490) 1.819 13.304 ( -0.000 -2.200 2.403) 3.258 14.600 ( 0.000 0.036 -0.464) 0.465 15.306 ( 0.000 1.578 -1.291) 2.039 18.240 ( 0.000 -1.290 -1.754) 2.177 20.957 ( -0.000 -0.213 2.985) 2.993 21.227 ( 0.000 -0.105 -1.545) 1.549 21.277 ( -0.000 -0.368 2.529) 2.555 21.538 ( 0.000 0.544 -0.088) 0.551 21.681 ( 0.000 0.269 -0.044) 0.273 22.710 ( 0.000 0.781 -2.104) 2.244 30.698 ( 0.000 0.519 -0.150) 0.540 30.714 ( -0.000 0.094 0.504) 0.512 32.101 ( 0.000 -0.513 -0.484) 0.705 38.198 ( 0.000 0.232 -0.033) 0.234 38.697 ( -0.000 -0.238 0.030) 0.240 40.355 ( -0.000 -3.396 2.828) 4.419 41.124 ( 0.000 4.237 -2.020) 4.693 ======================= Grid point 242 (96/189) ======================= q-point: (-0.33 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 8.440 -2.242 13.140) 15.777 2.293 ( 11.831 5.072 1.712) 12.985 2.914 ( 15.717 -5.081 -23.348) 28.600 3.255 ( 4.278 -4.547 -6.880) 9.291 3.638 ( 7.990 3.523 4.214) 9.696 3.813 ( 4.201 -0.861 -3.666) 5.642 4.330 ( 3.198 3.522 14.324) 15.094 5.337 ( -0.215 -6.050 -4.115) 7.320 6.138 ( 5.552 -3.775 -8.101) 10.522 6.537 ( -0.313 -8.242 9.653) 12.696 7.115 ( 11.794 1.085 5.108) 12.899 7.808 ( -6.642 -2.058 -4.936) 8.527 8.631 ( 5.575 -7.686 2.560) 9.834 9.199 ( -9.937 -16.984 0.623) 19.687 9.433 ( -0.758 3.551 1.475) 3.919 10.238 ( -5.311 -14.397 -1.718) 15.441 11.358 ( -16.655 6.042 -3.207) 18.005 12.720 ( -1.157 9.184 2.031) 9.477 13.241 ( 7.627 3.688 -1.432) 8.592 13.309 ( 0.426 0.867 1.503) 1.787 14.718 ( 10.900 3.625 -0.631) 11.504 15.342 ( 0.126 5.597 -0.659) 5.637 18.107 ( -12.756 0.140 -2.361) 12.974 20.905 ( -6.887 1.051 3.060) 7.609 21.232 ( 0.509 -0.477 -0.975) 1.199 21.264 ( -0.980 -0.367 0.435) 1.133 21.557 ( 2.105 -0.578 -0.054) 2.184 21.795 ( 10.726 1.235 1.600) 10.915 22.682 ( -3.713 1.471 -1.692) 4.338 30.683 ( 0.352 -3.629 -0.531) 3.684 30.726 ( 0.640 0.562 1.486) 1.713 32.097 ( -1.705 3.004 -1.050) 3.610 38.265 ( 7.833 -0.968 0.176) 7.895 38.772 ( 9.747 -2.107 -0.217) 9.974 40.270 ( -3.564 -7.970 0.573) 8.749 41.089 ( -8.452 4.244 1.115) 9.523 ======================= Grid point 243 (97/189) ======================= q-point: (-0.25 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 6.567 -5.186 10.144) 13.150 2.572 ( 10.701 6.508 -1.641) 12.632 2.923 ( 0.085 -6.761 -13.195) 14.826 3.364 ( 10.474 -2.306 -12.473) 16.450 3.612 ( -1.346 0.623 -16.101) 16.169 4.038 ( 13.125 -4.390 10.574) 17.417 4.617 ( 18.829 7.097 14.820) 24.991 5.277 ( 1.604 -7.000 0.164) 7.184 6.189 ( 10.972 -11.677 -6.196) 17.179 6.427 ( 2.004 -21.009 6.887) 22.200 7.383 ( 18.793 -5.813 5.748) 20.494 7.666 ( -5.290 1.128 -3.993) 6.723 8.470 ( -11.234 -26.238 5.070) 28.989 8.960 ( 2.786 -4.378 -3.965) 6.530 9.489 ( 2.757 4.249 -0.936) 5.151 9.913 ( -10.272 -19.518 -0.875) 22.073 11.171 ( -16.911 16.875 -1.484) 23.937 12.796 ( -3.716 12.470 1.711) 13.124 13.322 ( 0.484 0.145 3.131) 3.172 13.388 ( 4.650 3.299 -3.020) 6.452 14.973 ( 13.520 2.765 -0.611) 13.814 15.387 ( -2.089 5.058 -1.327) 5.632 17.865 ( -15.768 5.507 -0.915) 16.727 20.804 ( -7.352 3.641 1.390) 8.321 21.220 ( 0.028 -1.255 -0.214) 1.273 21.259 ( 0.382 -0.155 -1.188) 1.257 21.588 ( 2.354 -1.380 0.111) 2.731 22.009 ( 10.902 0.139 1.872) 11.062 22.612 ( -5.441 1.720 -0.173) 5.709 30.647 ( 1.125 -5.219 -0.721) 5.388 30.751 ( 0.970 0.193 2.101) 2.322 32.093 ( -2.982 4.994 -1.455) 5.996 38.410 ( 10.152 -3.528 0.404) 10.755 38.948 ( 14.176 -6.295 -0.365) 15.515 40.119 ( -2.889 -8.166 -1.982) 8.885 40.957 ( -12.620 5.666 4.058) 14.416 ======================= Grid point 244 (98/189) ======================= q-point: (-0.17 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 6.613 -6.464 6.417) 11.255 2.631 ( -6.589 -3.748 -7.609) 10.740 2.869 ( 5.911 -1.185 -4.017) 7.245 3.233 ( -13.177 -5.951 -5.843) 15.594 3.664 ( 8.788 -0.685 -16.787) 18.961 4.200 ( 8.044 -2.656 5.564) 10.135 4.985 ( 7.679 -3.990 10.178) 13.359 5.265 ( 5.169 -4.069 1.101) 6.670 6.064 ( -1.197 -28.946 7.971) 30.048 6.423 ( 19.377 -18.173 -5.413) 27.111 7.472 ( -2.353 -9.874 7.675) 12.726 7.720 ( 7.113 -10.563 -2.803) 13.039 8.157 ( 9.619 -3.992 0.860) 10.450 9.028 ( 7.654 -6.744 -4.038) 10.971 9.607 ( -1.469 -8.893 0.316) 9.019 9.616 ( 3.819 4.272 -2.603) 6.294 11.087 ( -15.001 20.660 0.380) 25.535 12.841 ( -5.917 12.474 0.912) 13.836 13.322 ( -2.381 0.379 2.945) 3.806 13.454 ( 2.243 0.416 -2.617) 3.472 15.169 ( 7.619 -1.437 0.185) 7.756 15.308 ( -9.337 -1.019 -1.782) 9.560 17.748 ( -7.842 13.630 0.189) 15.727 20.777 ( -1.917 7.917 -0.417) 8.157 21.213 ( 0.616 -1.262 -0.229) 1.423 21.258 ( 0.102 -0.040 -1.124) 1.129 21.600 ( 0.650 -2.007 0.549) 2.180 22.125 ( 3.947 -4.477 0.461) 5.986 22.552 ( -3.937 2.479 1.783) 4.983 30.624 ( 2.603 -5.206 -0.485) 5.841 30.773 ( 0.476 0.188 1.905) 1.972 32.083 ( -3.409 5.252 -1.427) 6.422 38.489 ( 4.490 -8.073 0.526) 9.253 39.048 ( 7.368 -13.686 -0.088) 15.544 40.073 ( 6.749 -2.359 -5.119) 8.793 40.850 ( -9.712 9.560 6.681) 15.177 ======================= Grid point 254 (99/189) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -0.000 -2.465 14.084) 14.298 2.264 ( -0.000 9.359 3.606) 10.030 2.597 ( 0.000 -4.472 -26.107) 26.487 3.137 ( 0.000 -7.651 -8.990) 11.805 3.637 ( -0.000 4.329 10.209) 11.089 3.774 ( 0.000 1.015 -9.907) 9.958 4.364 ( -0.000 1.105 11.073) 11.128 5.239 ( 0.000 -7.963 -8.369) 11.552 6.020 ( -0.000 -8.376 -1.745) 8.556 6.456 ( -0.000 -17.762 8.333) 19.619 7.038 ( -0.000 -1.897 10.746) 10.913 7.822 ( 0.000 -1.871 -10.077) 10.249 8.490 ( -0.000 -13.329 5.382) 14.375 9.147 ( -0.000 -14.783 -1.245) 14.836 9.386 ( -0.000 -9.678 2.377) 9.966 10.092 ( -0.000 -22.182 -3.262) 22.420 11.494 ( 0.000 -2.262 -2.775) 3.580 12.863 ( 0.000 14.738 2.659) 14.976 13.263 ( 0.000 14.120 -1.710) 14.224 13.334 ( 0.000 4.281 0.990) 4.394 14.678 ( 0.000 6.983 -0.040) 6.983 15.417 ( 0.000 9.755 -1.212) 9.830 18.211 ( 0.000 1.026 -3.265) 3.423 20.991 ( -0.000 1.262 3.454) 3.678 21.225 ( 0.000 0.780 -0.980) 1.252 21.288 ( -0.000 -0.123 1.642) 1.647 21.524 ( -0.000 -2.083 0.945) 2.287 21.707 ( -0.000 2.039 0.606) 2.127 22.726 ( 0.000 2.131 -2.080) 2.977 30.630 ( -0.000 -5.837 -0.823) 5.894 30.730 ( -0.000 -0.105 2.718) 2.720 32.152 ( 0.000 5.969 -2.065) 6.316 38.183 ( -0.000 -1.791 0.360) 1.827 38.661 ( -0.000 -3.186 -0.397) 3.210 40.196 ( -0.000 -13.166 -0.487) 13.175 41.208 ( -0.000 3.487 3.477) 4.924 ======================= Grid point 255 (100/189) ======================= q-point: (-0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 5.073 -7.812 10.488) 14.027 2.453 ( 9.198 7.920 -6.130) 13.598 2.679 ( 16.869 -2.351 -15.162) 22.803 3.056 ( 6.397 -8.659 -12.419) 16.436 3.685 ( -3.948 4.749 -7.895) 10.023 3.811 ( 8.920 -2.829 6.193) 11.221 4.474 ( 9.121 0.754 9.998) 13.554 5.149 ( 2.338 -9.280 -5.263) 10.922 5.943 ( 2.763 -12.470 1.141) 12.824 6.236 ( -2.391 -27.149 7.136) 28.173 7.117 ( 8.756 -7.211 11.280) 15.997 7.720 ( -4.273 -2.158 -9.644) 10.767 8.361 ( -1.453 -20.973 7.247) 22.237 8.908 ( -6.266 -10.413 -3.556) 12.663 9.361 ( 7.651 -10.872 0.282) 13.297 9.815 ( -3.697 -22.719 -3.500) 23.282 11.413 ( -3.833 -1.899 -0.902) 4.372 12.997 ( -2.465 14.070 1.884) 14.408 13.391 ( -1.218 11.337 0.467) 11.411 13.421 ( -0.411 13.139 -0.966) 13.181 14.827 ( 8.368 6.282 0.064) 10.464 15.498 ( -2.499 10.410 -2.375) 10.966 18.136 ( -9.654 5.208 -1.818) 11.119 20.969 ( -5.749 3.176 2.953) 7.201 21.223 ( -1.534 0.029 -0.028) 1.534 21.252 ( -1.204 -0.551 -0.943) 1.626 21.533 ( 2.397 -1.851 0.622) 3.092 21.836 ( 10.138 1.333 2.052) 10.429 22.709 ( -3.547 2.249 -1.397) 4.426 30.570 ( 0.643 -6.501 -0.853) 6.588 30.744 ( 0.728 -0.556 3.547) 3.664 32.192 ( -2.142 7.491 -2.994) 8.347 38.226 ( 6.951 -3.224 0.540) 7.681 38.694 ( 8.156 -5.325 -0.599) 9.759 40.031 ( -1.153 -15.675 -1.612) 15.800 41.191 ( -7.150 3.548 5.750) 9.837 ======================= Grid point 256 (101/189) ======================= q-point: (-0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 6.584 -10.846 4.147) 13.349 2.613 ( 7.090 -2.259 -12.628) 14.657 2.746 ( 0.146 -2.472 -1.758) 3.037 3.142 ( 12.282 -9.943 -16.573) 22.900 3.625 ( -5.160 8.074 -6.318) 11.478 3.970 ( 12.360 -7.354 3.201) 14.734 4.750 ( 17.919 -6.575 10.248) 21.665 5.089 ( 5.128 -11.950 -1.900) 13.142 5.838 ( 0.595 -24.830 8.387) 26.216 5.999 ( 6.536 -17.458 -1.066) 18.672 7.243 ( 12.848 -13.486 10.424) 21.345 7.588 ( -3.375 -8.543 -2.875) 9.625 8.100 ( -4.794 -10.695 0.446) 11.729 8.828 ( 5.337 -6.276 -2.746) 8.684 9.406 ( 9.510 -10.140 -1.503) 13.982 9.562 ( -0.887 -15.311 -3.401) 15.709 11.349 ( -2.970 0.421 0.914) 3.136 13.064 ( -4.291 10.878 0.651) 11.712 13.462 ( -6.302 13.200 1.943) 14.756 13.510 ( -2.781 12.019 -1.666) 12.449 15.025 ( 8.746 1.366 0.117) 8.853 15.483 ( -8.646 6.602 -2.459) 11.153 18.037 ( -10.186 12.129 0.059) 15.839 20.916 ( -5.514 6.788 0.714) 8.775 21.193 ( -0.221 -1.229 -0.299) 1.284 21.247 ( 0.406 0.009 -1.217) 1.283 21.561 ( 2.202 -1.602 0.788) 2.835 21.998 ( 7.020 -2.465 1.267) 7.548 22.658 ( -4.521 2.622 0.683) 5.271 30.527 ( 1.887 -5.967 -0.555) 6.282 30.766 ( 1.048 -0.627 3.486) 3.693 32.203 ( -3.938 7.435 -3.213) 9.006 38.316 ( 7.218 -6.201 0.584) 9.534 38.781 ( 9.284 -9.800 -0.458) 13.507 39.893 ( 4.280 -12.966 -3.568) 14.112 41.114 ( -8.780 5.955 7.768) 13.149 ======================= Grid point 267 (102/189) ======================= q-point: (-0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -0.000 -11.430 8.366) 14.164 2.314 ( 0.000 -6.008 -26.568) 27.239 2.513 ( -0.000 8.695 4.456) 9.771 2.886 ( 0.000 -9.971 -10.702) 14.627 3.695 ( -0.000 -6.366 6.558) 9.140 3.770 ( 0.000 7.302 -12.056) 14.095 4.409 ( -0.000 -2.977 7.324) 7.906 4.993 ( 0.000 -13.199 -9.461) 16.240 5.823 ( -0.000 -14.422 9.152) 17.080 5.989 ( -0.000 -31.503 8.094) 32.526 7.001 ( -0.000 -10.896 12.044) 16.241 7.693 ( 0.000 -1.954 -15.270) 15.394 8.198 ( -0.000 -20.946 11.594) 23.941 8.874 ( 0.000 -10.144 -4.509) 11.101 9.111 ( -0.000 -18.342 2.492) 18.510 9.602 ( -0.000 -21.799 -5.406) 22.459 11.360 ( -0.000 -9.572 0.155) 9.573 13.132 ( 0.000 7.928 0.878) 7.977 13.532 ( 0.000 17.391 0.429) 17.397 13.636 ( 0.000 22.265 -0.798) 22.279 14.817 ( 0.000 5.800 0.405) 5.814 15.634 ( 0.000 13.355 -3.735) 13.867 18.273 ( 0.000 7.489 -1.115) 7.572 21.047 ( -0.000 2.090 2.364) 3.155 21.239 ( 0.000 1.042 -0.347) 1.099 21.294 ( -0.000 0.088 0.612) 0.618 21.485 ( -0.000 -2.462 1.739) 3.015 21.759 ( -0.000 2.189 1.487) 2.646 22.755 ( 0.000 2.029 -2.031) 2.871 30.499 ( -0.000 -6.133 -0.732) 6.176 30.742 ( -0.000 -1.149 4.573) 4.715 32.280 ( 0.000 8.922 -4.629) 10.051 38.134 ( -0.000 -3.503 0.720) 3.576 38.571 ( -0.000 -5.393 -0.827) 5.456 39.850 ( -0.000 -21.056 -1.251) 21.093 41.302 ( -0.000 2.104 7.727) 8.008 ======================= Grid point 268 (103/189) ======================= q-point: (-0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 3.964 -14.539 0.060) 15.070 2.302 ( 13.681 -9.031 -16.133) 23.000 2.686 ( 15.639 -10.013 -6.707) 19.744 2.776 ( -1.057 -1.749 -5.788) 6.138 3.693 ( 6.878 -9.007 3.076) 11.743 3.790 ( -1.092 6.130 -8.210) 10.305 4.461 ( 7.985 -7.080 7.359) 12.963 4.834 ( 4.516 -19.217 -8.017) 21.307 5.565 ( -1.296 -36.040 2.071) 36.122 5.848 ( 1.943 -8.122 14.273) 16.536 6.972 ( 6.815 -14.832 10.399) 19.354 7.572 ( -5.151 -6.568 -9.237) 12.449 8.034 ( -0.563 -14.289 5.765) 15.419 8.724 ( -1.363 -7.670 -1.594) 7.952 9.074 ( 11.739 -16.596 0.833) 20.345 9.388 ( 0.087 -16.838 -5.670) 17.767 11.285 ( 2.337 -9.395 0.943) 9.727 13.177 ( -1.050 3.982 -0.151) 4.121 13.709 ( -2.409 20.283 0.866) 20.444 13.787 ( -7.206 21.247 -0.561) 22.443 14.916 ( 5.689 1.950 0.168) 6.016 15.698 ( -6.333 12.085 -3.653) 14.124 18.303 ( -6.536 12.074 0.484) 13.738 21.056 ( -2.535 3.512 1.377) 4.545 21.227 ( -5.221 0.386 0.083) 5.236 21.245 ( -0.361 0.883 -0.406) 1.037 21.501 ( 2.936 -1.882 1.000) 3.628 21.864 ( 7.253 0.082 1.781) 7.469 22.742 ( -2.562 1.703 -1.009) 3.238 30.449 ( 0.704 -4.845 -0.445) 4.916 30.754 ( 0.817 -1.336 4.693) 4.947 32.328 ( -2.746 8.949 -5.392) 10.802 38.151 ( 5.435 -4.741 0.715) 7.247 38.564 ( 5.774 -7.126 -0.816) 9.208 39.648 ( 3.061 -21.857 -1.634) 22.131 41.304 ( -4.958 2.624 9.447) 10.987 ======================= Grid point 280 (104/189) ======================= q-point: (-0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 0.000 -17.218 -5.408) 18.047 1.989 ( 0.000 -12.717 -13.986) 18.903 2.360 ( 0.000 -21.714 -8.407) 23.285 2.785 ( 0.000 -1.198 -0.902) 1.500 3.486 ( -0.000 -15.427 -0.036) 15.428 3.817 ( 0.000 -1.109 -6.888) 6.977 4.387 ( -0.000 -4.141 7.153) 8.265 4.542 ( 0.000 -22.231 -9.166) 24.047 5.208 ( -0.000 -38.697 1.874) 38.742 5.806 ( -0.000 -8.416 15.518) 17.654 6.796 ( -0.000 -15.155 8.040) 17.155 7.539 ( 0.000 -2.684 -16.002) 16.226 7.916 ( -0.000 -14.067 13.795) 19.703 8.645 ( 0.000 -12.759 -4.171) 13.424 8.819 ( -0.000 -10.941 5.224) 12.124 9.210 ( 0.000 -14.050 -6.174) 15.347 11.167 ( -0.000 -9.708 0.804) 9.742 13.205 ( 0.000 1.238 -0.901) 1.531 13.940 ( 0.000 20.825 1.245) 20.862 14.061 ( 0.000 20.700 -0.956) 20.722 14.878 ( -0.000 -0.087 0.372) 0.382 15.874 ( 0.000 13.844 -4.489) 14.554 18.488 ( 0.000 13.624 1.377) 13.694 21.090 ( 0.000 1.137 0.132) 1.145 21.261 ( 0.000 1.549 -0.416) 1.604 21.314 ( -0.000 1.854 0.772) 2.008 21.456 ( -0.000 -2.032 2.165) 2.969 21.808 ( -0.000 1.686 2.051) 2.655 22.766 ( 0.000 0.115 -1.673) 1.677 30.405 ( -0.000 -2.692 -0.296) 2.709 30.748 ( -0.000 -1.660 4.917) 5.189 32.423 ( 0.000 9.533 -6.961) 11.804 38.061 ( -0.000 -4.416 0.948) 4.517 38.447 ( -0.000 -6.286 -1.110) 6.383 39.373 ( -0.000 -26.432 -0.211) 26.433 41.399 ( -0.000 1.160 11.277) 11.337 ======================= Grid point 321 (105/189) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.274 ( -0.000 0.000 7.525) 7.525 0.452 ( -0.000 0.000 7.383) 7.383 0.820 ( -0.000 0.000 18.083) 18.083 1.498 ( -0.000 0.000 71.092) 71.092 1.658 ( -0.000 0.000 38.045) 38.045 3.443 ( 0.000 -0.000 -24.172) 24.172 3.742 ( 0.000 -0.000 -6.226) 6.226 4.222 ( -0.000 0.000 5.142) 5.142 4.740 ( -0.000 0.000 20.821) 20.821 5.786 ( 0.000 -0.000 -16.710) 16.710 6.320 ( 0.000 -0.000 -5.440) 5.440 7.127 ( 0.000 -0.000 -24.256) 24.256 7.969 ( 0.000 -0.000 -0.604) 0.604 7.989 ( 0.000 -0.000 -7.123) 7.123 8.359 ( -0.000 0.000 6.477) 6.477 8.835 ( -0.000 0.000 9.106) 9.106 10.888 ( -0.000 0.000 1.386) 1.386 14.122 ( 0.000 -0.000 -2.216) 2.216 14.597 ( 0.000 -0.000 -0.507) 0.507 14.620 ( -0.000 0.000 0.070) 0.070 14.695 ( 0.000 -0.000 -0.095) 0.095 14.716 ( -0.000 0.000 0.434) 0.434 19.126 ( -0.000 0.000 5.037) 5.037 21.331 ( 0.000 -0.000 -0.215) 0.215 21.348 ( -0.000 0.000 0.281) 0.281 21.463 ( 0.000 -0.000 -0.253) 0.253 21.479 ( -0.000 0.000 0.228) 0.228 21.894 ( 0.000 -0.000 -4.143) 4.143 22.543 ( -0.000 0.000 2.093) 2.093 30.447 ( 0.000 -0.000 -1.196) 1.196 30.721 ( -0.000 0.000 0.956) 0.956 34.400 ( 0.000 -0.000 -0.058) 0.058 37.889 ( -0.000 0.000 0.077) 0.077 37.896 ( -0.000 0.000 0.312) 0.312 38.219 ( 0.000 -0.000 -0.396) 0.396 38.227 ( 0.000 -0.000 -0.172) 0.172 ======================= Grid point 322 (106/189) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 32.267 18.629 5.832) 37.713 1.284 ( 19.360 11.177 29.984) 37.400 1.376 ( 41.688 24.068 5.935) 48.501 1.856 ( 20.621 11.905 38.053) 44.889 2.257 ( 38.729 22.360 39.865) 59.910 3.364 ( -0.146 -0.084 -22.689) 22.690 3.830 ( 3.245 1.874 -2.235) 4.363 4.331 ( 6.672 3.852 -3.208) 8.345 4.771 ( 0.067 0.039 14.535) 14.535 5.638 ( -2.483 -1.434 -5.264) 5.994 6.248 ( 0.359 0.207 -9.752) 9.761 7.030 ( -2.414 -1.394 -20.135) 20.327 7.946 ( 2.715 1.568 -10.853) 11.297 8.089 ( 8.126 4.692 -2.215) 9.641 8.547 ( 7.621 4.400 8.258) 12.068 8.971 ( 6.965 4.021 4.145) 9.047 10.913 ( 1.830 1.056 0.486) 2.168 13.528 ( -15.828 -9.138 15.897) 24.223 14.547 ( -6.059 -3.498 -0.009) 6.996 14.620 ( -6.848 -3.954 0.069) 7.908 14.762 ( 4.866 2.809 1.125) 5.730 15.493 ( 26.566 15.338 -32.975) 45.038 19.022 ( -8.981 -5.185 4.161) 11.174 21.246 ( -6.902 -3.985 4.689) 9.246 21.322 ( -1.187 -0.685 -0.214) 1.387 21.417 ( -1.014 -0.585 1.296) 1.746 21.455 ( 0.242 0.140 1.139) 1.173 21.888 ( -1.338 -0.773 -6.443) 6.626 22.629 ( 4.907 2.833 1.106) 5.773 30.416 ( -1.939 -1.119 -1.567) 2.733 30.648 ( -3.402 -1.964 -1.054) 4.067 33.427 ( -38.099 -21.996 31.760) 54.259 37.931 ( 2.529 1.460 0.387) 2.946 38.215 ( 2.743 1.584 -0.484) 3.204 38.439 ( 17.992 10.388 1.809) 20.855 39.713 ( 76.475 44.153 -70.863) 113.223 ======================= Grid point 323 (107/189) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 9.015 5.205 28.767) 30.592 1.665 ( 18.184 10.499 18.960) 28.291 2.150 ( 23.987 13.849 16.953) 32.474 2.569 ( 27.267 15.743 12.381) 33.832 3.287 ( 1.676 0.968 -11.211) 11.377 3.388 ( 39.723 22.934 15.457) 48.403 3.900 ( 5.492 3.171 2.237) 6.725 4.483 ( 11.726 6.770 -3.944) 14.103 4.889 ( 6.639 3.833 9.364) 12.102 5.654 ( 4.954 2.860 -16.930) 17.870 6.302 ( 8.199 4.734 -13.911) 16.827 6.925 ( -0.259 -0.149 -7.988) 7.993 7.987 ( 4.403 2.542 -13.522) 14.446 8.358 ( 14.836 8.566 2.115) 17.261 8.767 ( 9.893 5.712 10.876) 15.772 9.131 ( 6.109 3.527 4.425) 8.327 10.976 ( 3.978 2.297 -1.712) 4.903 13.359 ( -5.638 -3.255 8.134) 10.419 14.331 ( -13.040 -7.529 -0.412) 15.063 14.399 ( -12.520 -7.228 0.831) 14.481 14.904 ( 6.061 3.499 4.413) 8.273 15.630 ( -1.492 -0.862 -20.222) 20.296 18.797 ( -11.149 -6.437 1.582) 12.970 21.152 ( -2.968 -1.713 2.672) 4.345 21.288 ( -1.462 -0.844 0.067) 1.689 21.383 ( -1.691 -0.976 0.334) 1.980 21.505 ( 2.595 1.498 2.072) 3.643 21.817 ( -2.623 -1.514 -4.996) 5.842 22.704 ( 1.029 0.594 -0.109) 1.194 30.372 ( -0.957 -0.553 -1.352) 1.746 30.609 ( 0.930 0.537 -5.256) 5.365 32.911 ( -19.518 -11.269 18.309) 29.037 37.999 ( 3.291 1.900 -0.096) 3.801 38.303 ( 5.055 2.918 0.237) 5.841 38.978 ( 26.459 15.276 7.143) 31.376 40.589 ( 27.470 15.860 -47.174) 56.846 ======================= Grid point 324 (108/189) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -0.239 -0.138 34.643) 34.644 2.088 ( 12.155 7.018 3.921) 14.573 2.594 ( 8.389 4.844 15.668) 18.421 2.833 ( -0.403 -0.233 0.123) 0.481 3.464 ( 10.098 5.830 -2.139) 11.855 3.964 ( 10.362 5.982 11.864) 16.850 4.094 ( 14.863 8.581 -0.127) 17.163 4.861 ( 11.326 6.539 3.903) 13.648 5.297 ( 29.582 17.079 1.898) 34.211 5.646 ( 1.456 0.840 -23.421) 23.481 6.505 ( 13.523 7.807 -16.334) 22.597 7.072 ( 14.608 8.434 4.384) 17.428 8.062 ( 6.650 3.839 -12.171) 14.391 8.710 ( 13.792 7.963 4.841) 16.646 9.086 ( 14.780 8.533 8.807) 19.205 9.311 ( 9.379 5.415 5.410) 12.106 11.083 ( 6.245 3.605 -3.454) 7.995 13.270 ( -4.463 -2.577 2.569) 5.758 13.962 ( -18.816 -10.863 -0.826) 21.742 14.071 ( -16.517 -9.536 1.515) 19.132 15.037 ( 3.321 1.918 7.752) 8.649 15.416 ( -10.733 -6.196 -12.382) 17.518 18.553 ( -10.398 -6.003 1.242) 12.071 21.117 ( -0.708 -0.409 0.475) 0.946 21.258 ( -1.224 -0.707 0.095) 1.417 21.362 ( -0.273 -0.157 1.544) 1.575 21.562 ( 1.633 0.943 1.293) 2.286 21.740 ( -2.613 -1.509 -5.313) 6.110 22.681 ( -2.501 -1.444 -0.402) 2.916 30.384 ( 2.479 1.431 -0.551) 2.915 30.642 ( 3.321 1.918 -6.002) 7.123 32.587 ( -14.042 -8.107 9.793) 18.942 38.072 ( 3.095 1.787 -0.666) 3.635 38.435 ( 6.166 3.560 0.815) 7.166 39.614 ( 25.749 14.866 10.972) 31.693 40.848 ( 9.456 5.460 -29.120) 31.100 ======================= Grid point 325 (109/189) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -2.253 -1.301 21.635) 21.791 2.231 ( -0.074 -0.042 6.430) 6.431 2.518 ( -10.594 -6.116 4.470) 13.024 3.003 ( 8.972 5.180 6.935) 12.467 3.505 ( -0.686 -0.396 -3.937) 4.016 4.194 ( 7.128 4.115 8.219) 11.632 4.445 ( 10.599 6.120 -5.054) 13.241 5.088 ( 7.706 4.449 10.213) 13.546 5.430 ( -1.819 -1.050 -16.262) 16.397 6.073 ( 26.239 15.149 -1.376) 30.329 6.777 ( 14.893 8.599 -16.942) 24.141 7.497 ( 15.640 9.030 10.336) 20.808 8.242 ( 13.608 7.857 -10.752) 19.040 8.998 ( 11.129 6.425 4.882) 13.747 9.446 ( 14.481 8.361 3.078) 17.002 9.619 ( 15.040 8.684 5.977) 18.367 11.223 ( 6.496 3.750 -2.340) 7.857 13.149 ( -7.551 -4.359 -0.769) 8.753 13.517 ( -18.790 -10.848 -0.218) 21.698 13.699 ( -15.131 -8.736 1.229) 17.515 15.021 ( -11.661 -6.733 4.346) 14.149 15.183 ( -1.430 -0.825 -4.396) 4.695 18.350 ( -7.893 -4.557 2.300) 9.400 21.116 ( 0.541 0.312 -0.926) 1.117 21.231 ( -1.294 -0.747 0.015) 1.494 21.380 ( 1.281 0.739 2.199) 2.650 21.573 ( -1.009 -0.583 -2.774) 3.009 21.674 ( -1.205 -0.696 -2.963) 3.273 22.613 ( -3.015 -1.740 0.876) 3.590 30.475 ( 5.308 3.064 0.244) 6.134 30.702 ( 3.269 1.887 -4.476) 5.855 32.334 ( -10.536 -6.083 4.862) 13.101 38.132 ( 2.417 1.395 -0.724) 2.883 38.572 ( 5.320 3.071 0.826) 6.198 40.186 ( 20.871 12.050 12.009) 26.926 40.872 ( 0.697 0.402 -19.468) 19.485 ======================= Grid point 326 (110/189) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -2.381 -1.375 8.073) 8.528 2.222 ( -2.062 -1.191 11.631) 11.873 2.286 ( -10.778 -6.223 7.451) 14.505 3.153 ( 1.721 0.993 4.863) 5.253 3.532 ( 5.160 2.979 -10.424) 12.007 4.289 ( -0.882 -0.509 -3.222) 3.379 4.506 ( 0.799 0.461 -12.331) 12.366 5.111 ( -5.848 -3.376 14.267) 15.784 5.588 ( 12.853 7.421 5.774) 15.925 6.536 ( 15.389 8.885 -4.265) 18.274 7.029 ( 11.806 6.816 -15.241) 20.448 7.718 ( 1.479 0.854 10.499) 10.637 8.528 ( 10.509 6.068 -4.647) 12.994 9.302 ( 14.584 8.420 -0.700) 16.855 9.705 ( 5.855 3.380 -1.901) 7.022 9.978 ( 14.756 8.519 4.200) 17.549 11.322 ( 1.398 0.807 2.905) 3.324 12.891 ( -12.472 -7.201 -2.728) 14.658 13.182 ( -10.343 -5.972 1.144) 11.998 13.480 ( -4.381 -2.529 -0.350) 5.071 14.716 ( -12.015 -6.937 -0.145) 13.875 15.198 ( 1.106 0.639 1.414) 1.906 18.214 ( -4.939 -2.851 3.142) 6.511 21.127 ( 0.619 0.357 -2.720) 2.813 21.198 ( -1.401 -0.809 0.349) 1.655 21.428 ( 1.807 1.043 0.379) 2.121 21.506 ( -2.205 -1.273 -4.402) 5.086 21.669 ( 0.476 0.275 -0.012) 0.549 22.568 ( -1.277 -0.737 3.005) 3.347 30.604 ( 5.468 3.157 0.345) 6.324 30.743 ( 1.055 0.609 -2.214) 2.527 32.152 ( -6.276 -3.623 2.018) 7.522 38.175 ( 1.506 0.869 -0.337) 1.771 38.669 ( 2.843 1.642 0.386) 3.306 40.632 ( 14.370 8.296 11.303) 20.077 40.767 ( -3.893 -2.248 -14.246) 14.939 ======================= Grid point 327 (111/189) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 5.071 2.928 4.144) 7.173 2.080 ( -8.931 -5.156 6.551) 12.217 2.257 ( 0.672 0.388 12.782) 12.806 3.121 ( -4.839 -2.794 0.165) 5.590 3.602 ( 2.871 1.658 -10.755) 11.254 4.141 ( -6.897 -3.982 -12.557) 14.869 4.512 ( 2.209 1.275 -6.846) 7.306 5.055 ( -3.576 -2.065 14.913) 15.474 5.861 ( 7.449 4.301 11.868) 14.658 6.721 ( 1.589 0.918 -3.808) 4.228 7.196 ( 7.065 4.079 -12.551) 14.969 7.699 ( -5.253 -3.033 9.451) 11.230 8.641 ( 1.061 0.612 -0.898) 1.519 9.492 ( -1.970 -1.137 -5.322) 5.788 9.673 ( -4.532 -2.617 -7.386) 9.052 10.221 ( 1.195 0.690 5.336) 5.511 11.333 ( 0.453 0.261 6.252) 6.274 12.732 ( 1.503 0.867 -2.003) 2.650 13.075 ( 0.448 0.259 1.449) 1.539 13.411 ( -2.347 -1.355 -3.077) 4.100 14.573 ( 0.182 0.105 0.931) 0.955 15.238 ( 2.295 1.325 2.142) 3.408 18.148 ( -1.784 -1.030 2.828) 3.499 21.107 ( -1.034 -0.597 -4.408) 4.567 21.192 ( 0.636 0.367 0.795) 1.082 21.392 ( -2.536 -1.464 -4.649) 5.494 21.527 ( 2.375 1.371 0.853) 2.872 21.680 ( 0.624 0.360 0.014) 0.720 22.581 ( 1.228 0.709 4.693) 4.902 30.695 ( 0.465 0.269 -0.010) 0.537 30.736 ( 0.503 0.291 -0.629) 0.856 32.075 ( -0.820 -0.474 0.836) 1.264 38.196 ( 0.341 0.197 0.061) 0.399 38.698 ( -0.350 -0.202 -0.040) 0.407 40.550 ( -9.811 -5.664 -8.681) 14.272 40.972 ( 11.090 6.403 7.307) 14.744 ======================= Grid point 328 (112/189) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( -10.661 -6.155 4.487) 13.103 2.023 ( 6.799 3.925 5.294) 9.468 2.359 ( 6.208 3.584 4.784) 8.618 2.966 ( -8.200 -4.734 1.380) 9.569 3.594 ( -0.118 -0.068 -0.837) 0.848 3.961 ( -5.785 -3.340 -11.218) 13.056 4.524 ( 0.315 0.182 -6.225) 6.236 5.029 ( -3.419 -1.974 9.701) 10.473 5.987 ( 0.645 0.372 6.419) 6.462 6.558 ( -15.211 -8.782 -2.566) 17.751 7.250 ( 0.484 0.280 -10.242) 10.257 7.584 ( -7.047 -4.069 11.778) 14.316 8.586 ( -5.808 -3.353 -2.827) 7.278 9.182 ( -17.956 -10.367 -4.353) 21.186 9.497 ( -10.729 -6.194 -7.593) 14.530 10.000 ( -19.268 -11.124 4.874) 22.776 11.409 ( 1.613 0.931 4.842) 5.188 12.917 ( 12.486 7.209 -2.051) 14.563 13.207 ( 10.960 6.328 2.645) 12.929 13.391 ( 3.376 1.949 -3.450) 5.205 14.685 ( 7.486 4.322 -0.746) 8.676 15.342 ( 6.396 3.693 5.361) 9.127 18.159 ( 2.285 1.319 1.352) 2.964 21.075 ( -0.279 -0.161 -3.815) 3.828 21.216 ( 1.120 0.647 0.060) 1.295 21.330 ( -1.686 -0.973 -2.435) 3.118 21.547 ( -0.735 -0.425 -1.255) 1.515 21.715 ( 2.472 1.427 0.056) 2.854 22.647 ( 2.790 1.611 4.936) 5.895 30.615 ( -5.410 -3.123 0.644) 6.280 30.775 ( 1.471 0.849 -1.375) 2.186 32.115 ( 3.791 2.189 1.086) 4.511 38.187 ( -1.179 -0.681 0.020) 1.362 38.656 ( -3.178 -1.835 0.022) 3.669 40.251 ( -14.460 -8.349 -5.551) 17.596 41.203 ( 7.628 4.404 4.152) 9.738 ======================= Grid point 329 (113/189) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -14.817 -8.554 -1.613) 17.185 2.102 ( -2.473 -1.428 10.057) 10.455 2.532 ( 4.284 2.474 1.921) 5.307 2.794 ( -6.565 -3.790 5.432) 9.326 3.669 ( 6.243 3.604 6.951) 10.014 3.762 ( -9.658 -5.576 -6.175) 12.748 4.478 ( -2.318 -1.339 -5.972) 6.544 4.902 ( -11.958 -6.904 7.408) 15.670 5.903 ( -13.383 -7.727 -5.675) 16.463 6.062 ( -21.034 -12.144 -5.318) 24.863 7.104 ( -10.299 -5.946 -7.734) 14.186 7.519 ( -2.796 -1.614 17.324) 17.622 8.313 ( -15.912 -9.187 -10.094) 20.963 8.844 ( -10.127 -5.847 1.318) 11.768 9.154 ( -16.125 -9.310 -5.528) 19.423 9.550 ( -19.354 -11.174 4.346) 22.767 11.353 ( -6.952 -4.014 1.506) 8.167 13.142 ( 5.875 3.392 -0.925) 6.847 13.534 ( 16.446 9.495 0.041) 18.991 13.633 ( 18.177 10.495 -0.383) 20.993 14.829 ( 4.781 2.760 -1.809) 5.810 15.573 ( 11.501 6.640 7.775) 15.389 18.269 ( 7.437 4.294 -0.438) 8.598 21.072 ( 0.895 0.517 -2.424) 2.636 21.238 ( 0.845 0.488 -0.028) 0.976 21.302 ( -0.231 -0.134 -0.991) 1.026 21.505 ( -1.919 -1.108 -2.201) 3.123 21.772 ( 2.296 1.325 -0.863) 2.788 22.725 ( 2.417 1.395 3.627) 4.576 30.492 ( -5.166 -2.983 0.705) 6.007 30.782 ( -0.256 -0.148 -2.765) 2.781 32.241 ( 6.455 3.727 2.780) 7.955 38.141 ( -2.824 -1.631 -0.504) 3.300 38.563 ( -4.911 -2.835 0.609) 5.703 39.856 ( -19.172 -11.069 -2.357) 22.263 41.349 ( 4.732 2.732 -1.122) 5.578 ======================= Grid point 334 (114/189) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 0.000 40.980 3.337) 41.116 1.248 ( -0.000 17.306 22.363) 28.277 1.446 ( 0.000 54.663 7.522) 55.178 2.134 ( -0.000 25.614 47.491) 53.958 2.266 ( -0.000 28.075 40.267) 49.088 3.348 ( 0.000 7.105 -23.429) 24.482 3.823 ( 0.000 9.218 -8.047) 12.236 4.345 ( -0.000 7.602 5.072) 9.138 4.780 ( -0.000 -6.557 14.821) 16.207 5.571 ( 0.000 -6.485 -14.172) 15.585 6.204 ( 0.000 -1.709 -10.361) 10.501 7.022 ( 0.000 6.002 -15.621) 16.734 7.843 ( 0.000 -2.744 -11.432) 11.756 8.108 ( 0.000 11.572 -4.646) 12.470 8.582 ( -0.000 8.436 9.482) 12.692 8.974 ( -0.000 6.792 4.640) 8.226 10.915 ( 0.000 1.839 0.484) 1.902 13.568 ( -0.000 -19.763 14.143) 24.303 14.520 ( -0.000 -8.241 -0.282) 8.246 14.638 ( -0.000 -6.914 0.198) 6.916 14.742 ( 0.000 4.575 0.382) 4.591 15.476 ( 0.000 38.593 -29.083) 48.325 19.038 ( -0.000 -11.196 4.948) 12.241 21.275 ( -0.000 -6.375 3.268) 7.164 21.334 ( 0.000 0.178 -0.717) 0.739 21.414 ( -0.000 -2.097 3.440) 4.029 21.438 ( -0.000 -2.922 -0.064) 2.923 21.836 ( 0.000 -3.521 -5.772) 6.761 22.635 ( 0.000 5.868 1.133) 5.976 30.411 ( 0.000 -2.153 -1.743) 2.770 30.645 ( -0.000 -4.891 -0.334) 4.902 33.540 ( -0.000 -43.774 27.487) 51.688 37.907 ( 0.000 1.900 0.051) 1.900 38.238 ( 0.000 4.744 -0.306) 4.754 38.403 ( 0.000 19.124 0.879) 19.145 39.520 ( 0.000 87.665 -58.799) 105.558 ======================= Grid point 335 (115/189) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 12.667 20.330 12.514) 27.025 1.718 ( 13.220 15.824 27.499) 34.371 2.100 ( 18.372 31.515 17.372) 40.404 2.514 ( 4.240 26.137 20.303) 33.367 3.058 ( 29.573 26.563 21.235) 45.068 3.359 ( -0.144 17.747 -11.677) 21.244 3.916 ( 2.128 9.091 -1.942) 9.536 4.437 ( 0.669 8.936 0.214) 8.964 4.824 ( 5.456 -2.010 10.819) 12.282 5.498 ( 5.493 -3.876 -19.984) 21.084 6.201 ( 4.018 5.039 -14.582) 15.943 7.003 ( -5.722 9.145 -7.391) 13.077 7.853 ( 6.524 0.443 -13.328) 14.846 8.277 ( 7.110 13.370 -0.705) 15.159 8.738 ( 5.659 6.860 10.851) 14.030 9.098 ( 4.086 6.218 3.770) 8.340 10.953 ( 1.766 3.344 -1.106) 3.940 13.420 ( -4.022 -8.845 9.391) 13.513 14.386 ( -4.818 -12.122 -0.193) 13.046 14.478 ( -7.618 -10.860 0.180) 13.266 14.858 ( 5.690 5.103 2.990) 8.207 15.655 ( -2.655 14.482 -21.869) 26.363 18.863 ( -6.919 -13.018 2.993) 15.043 21.202 ( -3.131 -3.142 3.437) 5.612 21.292 ( -2.365 -2.430 -0.826) 3.490 21.387 ( -1.038 -2.913 0.747) 3.181 21.455 ( 3.572 -0.801 1.703) 4.038 21.809 ( 1.187 -1.297 -4.629) 4.952 22.701 ( 0.805 3.017 0.029) 3.122 30.376 ( -0.874 -1.119 -1.784) 2.280 30.593 ( -0.591 -1.284 -3.207) 3.504 33.119 ( -14.644 -23.541 19.684) 34.001 37.970 ( 3.436 2.859 0.011) 4.470 38.294 ( 1.524 6.050 -0.019) 6.239 38.798 ( 17.469 22.769 5.741) 29.267 40.242 ( 20.841 41.674 -49.337) 67.862 ======================= Grid point 336 (116/189) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 7.356 -0.067 24.406) 25.491 2.136 ( 5.953 21.185 21.041) 30.446 2.704 ( 6.002 25.978 14.506) 30.353 2.826 ( 6.449 4.771 2.304) 8.346 3.405 ( 6.289 16.394 -1.474) 17.620 3.798 ( 16.375 9.624 2.379) 19.142 4.093 ( 1.310 8.853 11.146) 14.294 4.716 ( 18.462 18.650 -5.414) 26.796 4.991 ( 14.108 1.250 7.173) 15.876 5.530 ( 6.921 3.031 -23.441) 24.629 6.358 ( 10.358 12.548 -15.395) 22.400 7.031 ( 1.338 11.107 1.020) 11.234 7.939 ( 6.406 3.020 -12.249) 14.149 8.581 ( 12.207 10.831 3.513) 16.693 9.006 ( 11.570 11.209 9.718) 18.814 9.245 ( 5.359 5.330 3.798) 8.459 11.037 ( 3.735 5.848 -2.885) 7.514 13.315 ( -3.646 -5.144 4.063) 7.501 14.103 ( -12.685 -14.806 -0.704) 19.509 14.191 ( -11.206 -14.566 0.759) 18.393 15.018 ( 5.475 3.591 5.777) 8.732 15.544 ( -11.402 2.369 -12.246) 16.899 18.608 ( -7.760 -13.442 1.023) 15.554 21.140 ( -2.660 -1.312 1.285) 3.232 21.233 ( -0.053 -4.055 -0.263) 4.064 21.361 ( 0.549 -2.286 2.068) 3.131 21.505 ( 2.653 -1.367 -0.313) 3.001 21.805 ( -1.775 3.982 -3.420) 5.541 22.700 ( -1.738 -0.978 -0.778) 2.140 30.369 ( 0.852 1.502 -0.903) 1.948 30.594 ( 2.062 1.798 -5.297) 5.961 32.753 ( -13.259 -14.376 11.372) 22.623 38.060 ( 2.712 4.657 -0.498) 5.412 38.411 ( 4.002 7.577 0.552) 8.587 39.392 ( 22.822 19.197 10.589) 31.647 40.643 ( 11.587 15.799 -33.432) 38.749 ======================= Grid point 337 (117/189) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 0.474 -2.128 22.050) 22.158 2.403 ( -5.076 16.558 12.152) 21.157 2.771 ( -10.289 3.827 2.479) 11.253 3.002 ( 0.081 15.714 10.250) 18.762 3.579 ( -3.753 6.177 -2.934) 7.801 4.122 ( 11.231 5.477 6.742) 14.198 4.304 ( 11.702 9.890 -0.297) 15.325 5.031 ( 9.620 10.631 -2.145) 14.497 5.321 ( 10.850 -3.740 -9.869) 15.136 5.762 ( 20.560 15.037 -3.399) 25.697 6.653 ( 10.858 18.475 -15.177) 26.259 7.323 ( 17.275 11.028 6.636) 21.542 8.058 ( 9.382 3.804 -9.947) 14.193 8.876 ( 10.738 5.476 5.194) 13.125 9.364 ( 9.562 13.502 3.367) 16.884 9.457 ( 14.009 5.662 5.774) 16.176 11.167 ( 4.779 6.707 -2.850) 8.715 13.207 ( -4.872 -4.873 0.415) 6.904 13.691 ( -16.520 -15.411 -0.630) 22.601 13.835 ( -13.117 -14.670 0.732) 19.693 15.136 ( 2.704 1.774 6.379) 7.152 15.277 ( -16.273 -0.739 -5.939) 17.338 18.366 ( -5.022 -13.670 0.927) 14.593 21.093 ( -0.268 -3.273 -0.885) 3.401 21.211 ( 0.879 -2.276 0.535) 2.498 21.368 ( 1.333 -2.219 3.063) 4.010 21.510 ( 0.594 -1.722 -2.908) 3.432 21.803 ( -4.333 8.515 -2.628) 9.909 22.637 ( -2.420 -2.976 -0.034) 3.836 30.434 ( 3.637 3.899 0.252) 5.338 30.649 ( 3.459 2.626 -4.978) 6.606 32.458 ( -10.890 -10.143 5.993) 16.043 38.145 ( 1.125 6.257 -0.772) 6.404 38.565 ( 3.713 8.990 0.840) 9.763 39.972 ( 21.883 12.287 12.320) 27.958 40.764 ( 4.092 3.368 -22.302) 22.923 ======================= Grid point 338 (118/189) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -3.762 1.951 11.307) 12.075 2.387 ( -11.545 6.999 7.511) 15.449 2.634 ( -17.572 12.673 10.566) 24.104 3.151 ( 1.687 3.418 9.601) 10.330 3.528 ( -3.082 5.679 -9.387) 11.396 4.312 ( 2.912 5.469 1.673) 6.418 4.453 ( 0.513 4.157 -16.062) 16.599 5.242 ( -2.371 1.647 9.648) 10.070 5.465 ( 14.180 11.600 2.643) 18.509 6.267 ( 22.328 9.331 -3.569) 24.461 6.935 ( 7.454 16.549 -13.886) 22.853 7.686 ( 8.709 2.896 9.190) 12.988 8.333 ( 19.322 8.352 -8.090) 22.551 9.101 ( 11.257 1.918 3.078) 11.827 9.623 ( 8.826 5.553 0.089) 10.427 9.797 ( 15.139 6.204 3.159) 16.664 11.269 ( 2.822 -1.177 0.876) 3.180 13.007 ( -11.010 -9.109 -2.003) 14.430 13.314 ( -11.927 -8.676 0.448) 14.756 13.541 ( -7.058 -6.087 0.043) 9.320 14.959 ( -18.486 0.934 -1.410) 18.563 15.199 ( 0.979 1.196 3.649) 3.963 18.186 ( -0.996 -13.566 1.930) 13.739 21.060 ( 2.210 -5.829 -2.913) 6.881 21.212 ( 0.023 -0.155 0.709) 0.726 21.362 ( 0.949 -5.207 1.447) 5.487 21.498 ( -0.258 1.820 -2.037) 2.744 21.808 ( -5.205 10.771 -2.348) 12.191 22.580 ( -0.961 -2.833 2.001) 3.599 30.554 ( 4.849 4.414 0.792) 6.605 30.712 ( 2.671 1.794 -3.263) 4.583 32.229 ( -7.735 -6.940 2.755) 10.751 38.213 ( -0.702 7.299 -0.512) 7.351 38.701 ( 0.866 9.642 0.595) 9.699 40.446 ( 18.764 5.470 11.529) 22.692 40.720 ( -0.748 -3.698 -15.560) 16.011 ======================= Grid point 339 (119/189) ======================= q-point: ( 0.67 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -3.534 8.658 0.675) 9.376 2.270 ( -10.685 3.411 6.211) 12.821 2.528 ( -15.803 16.173 16.568) 28.032 3.168 ( -3.308 -2.823 6.828) 8.095 3.535 ( 2.111 3.122 -11.644) 12.239 4.276 ( -11.013 7.752 -15.017) 20.172 4.464 ( 3.343 3.474 -7.315) 8.760 5.209 ( -6.630 2.257 14.189) 15.823 5.823 ( 9.393 9.685 10.291) 16.968 6.624 ( 10.892 6.059 -4.207) 13.155 7.127 ( 4.475 10.691 -10.873) 15.891 7.757 ( -1.291 -3.034 7.463) 8.159 8.640 ( 5.743 8.313 -2.798) 10.484 9.348 ( 15.317 -0.596 -2.866) 15.594 9.641 ( -4.646 -9.630 -5.149) 11.867 10.133 ( 14.333 3.929 3.862) 15.356 11.227 ( 2.626 -15.227 5.381) 16.362 12.748 ( -6.061 -4.739 -2.490) 8.087 13.146 ( -4.433 2.349 1.301) 5.183 13.448 ( -3.381 0.215 -1.989) 3.929 14.714 ( -12.209 6.360 0.789) 13.789 15.235 ( 0.865 1.951 2.010) 2.932 18.081 ( 2.710 -12.448 2.642) 13.010 21.028 ( 3.431 -7.621 -5.081) 9.781 21.210 ( -1.019 1.090 1.189) 1.908 21.319 ( 0.620 -5.528 -1.019) 5.655 21.522 ( 0.242 2.834 0.744) 2.940 21.821 ( -5.308 11.600 -2.439) 12.988 22.571 ( 1.332 -1.646 3.853) 4.397 30.670 ( 3.630 3.094 0.323) 4.781 30.737 ( -0.091 0.025 -1.248) 1.251 32.092 ( -2.938 -3.447 1.102) 4.662 38.257 ( -2.608 7.473 -0.071) 7.916 38.776 ( -3.226 9.019 0.178) 9.580 40.567 ( -4.473 -8.459 -9.290) 13.337 40.805 ( 15.496 1.138 7.455) 17.233 ======================= Grid point 340 (120/189) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -3.407 3.577 -11.945) 12.926 2.181 ( -7.535 10.515 15.227) 19.980 2.538 ( -9.219 18.543 10.693) 23.306 3.060 ( -6.934 -3.985 6.091) 10.053 3.553 ( 2.571 -2.062 -3.143) 4.554 4.092 ( -12.329 7.192 -14.195) 20.131 4.537 ( 0.830 7.660 -7.347) 10.646 5.166 ( -7.052 3.223 11.307) 13.710 6.006 ( 0.822 2.993 7.599) 8.209 6.665 ( -7.138 -3.647 -3.388) 8.702 7.233 ( 1.627 6.822 -7.105) 9.984 7.686 ( -4.883 -3.766 6.641) 9.062 8.679 ( -6.228 3.288 -1.744) 7.255 9.263 ( -13.750 -20.546 -4.874) 25.199 9.512 ( 3.146 -3.612 -5.800) 7.522 10.174 ( -10.340 -9.891 4.089) 14.881 11.262 ( 14.587 -8.901 5.350) 17.906 12.767 ( 9.234 3.413 -2.153) 10.077 13.185 ( 1.185 7.958 2.737) 8.499 13.376 ( -2.281 0.248 -3.784) 4.426 14.704 ( -0.953 11.539 0.611) 11.594 15.301 ( 3.707 2.944 2.935) 5.570 18.055 ( 6.069 -9.553 2.205) 11.531 20.999 ( 4.142 -7.081 -5.280) 9.756 21.213 ( -0.219 0.964 0.878) 1.322 21.276 ( 0.324 -4.207 -0.838) 4.302 21.549 ( -0.342 1.460 0.676) 1.645 21.837 ( -5.119 11.521 -2.219) 12.801 22.615 ( 3.332 -0.741 4.263) 5.461 30.674 ( -4.056 -1.870 0.344) 4.480 30.754 ( 1.863 1.498 -1.027) 2.602 32.074 ( 2.455 -0.226 0.917) 2.631 38.267 ( -4.476 6.487 0.058) 7.882 38.768 ( -6.886 7.073 0.072) 9.872 40.337 ( -8.649 -10.264 -5.640) 14.559 41.059 ( 12.492 -1.647 4.114) 13.254 ======================= Grid point 341 (121/189) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -12.937 -3.733 -10.316) 16.963 2.300 ( -4.217 12.702 16.880) 21.542 2.628 ( -3.639 17.403 -0.368) 17.783 2.923 ( -9.486 -2.316 11.768) 15.292 3.604 ( 6.309 -0.797 5.364) 8.319 3.904 ( -11.635 3.953 -9.344) 15.437 4.559 ( -5.547 8.589 -6.567) 12.152 5.086 ( -9.968 0.904 6.395) 11.878 5.959 ( -6.563 -4.301 -0.941) 7.903 6.297 ( -21.821 -15.283 -4.552) 27.027 7.217 ( -8.157 3.228 -8.003) 11.875 7.610 ( -3.139 -2.178 11.128) 11.766 8.436 ( -15.535 -12.496 -6.840) 21.078 8.887 ( -6.937 -11.791 0.455) 13.688 9.380 ( -13.480 -0.793 -3.278) 13.895 9.776 ( -18.912 -13.998 3.742) 23.824 11.396 ( 1.824 -2.965 2.334) 4.191 13.017 ( 12.722 4.224 -1.822) 13.528 13.375 ( 11.672 6.983 2.457) 13.821 13.434 ( 10.239 4.139 -2.510) 11.326 14.833 ( 1.512 10.406 -1.141) 10.577 15.457 ( 9.588 2.999 5.359) 11.386 18.123 ( 9.839 -4.781 0.800) 10.969 21.005 ( 5.043 -4.273 -3.691) 7.571 21.224 ( 1.171 -0.869 -0.208) 1.473 21.244 ( 0.188 -2.654 0.362) 2.685 21.538 ( -2.225 0.991 -0.432) 2.474 21.857 ( -4.197 9.671 -1.785) 10.693 22.686 ( 3.951 -0.776 3.015) 5.031 30.562 ( -5.962 -2.625 0.724) 6.554 30.776 ( 0.137 0.595 -2.540) 2.613 32.165 ( 6.379 1.571 2.203) 6.929 38.231 ( -6.064 4.494 -0.306) 7.554 38.689 ( -8.886 4.305 0.441) 9.883 40.032 ( -14.055 -10.165 -1.787) 17.437 41.227 ( 9.216 -2.668 -1.111) 9.659 ======================= Grid point 347 (122/189) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -0.000 4.820 26.991) 27.418 1.849 ( 0.000 33.276 -0.398) 33.279 2.315 ( -0.000 25.942 25.766) 36.563 2.800 ( -0.000 10.891 10.646) 15.230 3.150 ( -0.000 31.136 21.968) 38.105 3.554 ( 0.000 28.276 -6.036) 28.913 3.987 ( 0.000 13.624 -2.936) 13.937 4.607 ( -0.000 15.982 6.925) 17.418 4.778 ( -0.000 -0.018 9.290) 9.290 5.300 ( 0.000 -6.344 -24.762) 25.561 6.179 ( 0.000 9.695 -17.033) 19.599 7.174 ( 0.000 15.335 -5.493) 16.289 7.747 ( 0.000 1.709 -10.959) 11.092 8.365 ( 0.000 16.576 -0.691) 16.591 8.783 ( -0.000 5.469 10.670) 11.990 9.156 ( -0.000 9.175 4.131) 10.063 10.970 ( 0.000 4.602 -1.710) 4.910 13.389 ( -0.000 -8.973 7.388) 11.623 14.284 ( -0.000 -15.565 -0.123) 15.565 14.430 ( -0.000 -14.382 0.503) 14.390 14.862 ( -0.000 5.181 2.854) 5.915 15.758 ( 0.000 11.119 -19.327) 22.297 18.792 ( -0.000 -15.755 3.238) 16.084 21.188 ( -0.000 -4.838 2.083) 5.268 21.319 ( 0.000 -0.961 -0.998) 1.386 21.362 ( -0.000 -4.607 2.053) 5.044 21.417 ( -0.000 -0.076 1.380) 1.382 21.753 ( 0.000 -0.959 -3.738) 3.860 22.733 ( 0.000 3.360 -0.356) 3.379 30.368 ( 0.000 -0.183 -1.830) 1.839 30.574 ( 0.000 -0.876 -3.321) 3.434 33.053 ( -0.000 -25.187 15.644) 29.650 37.963 ( 0.000 3.588 -0.048) 3.589 38.344 ( 0.000 6.154 0.161) 6.157 38.928 ( 0.000 29.249 6.967) 30.067 40.354 ( 0.000 40.536 -41.496) 58.010 ======================= Grid point 348 (123/189) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 6.622 -0.121 24.829) 25.697 2.280 ( 12.565 22.370 7.310) 26.678 2.748 ( 13.915 18.769 23.021) 32.800 2.861 ( -0.461 6.380 2.395) 6.830 3.555 ( 9.795 13.939 7.035) 18.432 3.740 ( -4.800 19.902 -3.498) 20.770 4.191 ( 3.934 9.806 8.573) 13.607 4.741 ( -1.220 21.996 -3.905) 22.373 4.903 ( 3.545 6.873 4.963) 9.189 5.316 ( 12.859 6.003 -18.119) 23.015 6.294 ( 6.399 15.354 -16.178) 23.204 7.228 ( -7.503 15.754 -3.635) 17.824 7.826 ( 6.929 5.395 -9.198) 12.717 8.574 ( 4.472 15.388 2.934) 16.291 8.954 ( 9.215 8.096 9.854) 15.734 9.280 ( 1.208 9.945 3.697) 10.678 11.040 ( 2.397 7.249 -2.871) 8.157 13.315 ( -1.722 -6.798 3.964) 8.055 14.082 ( -4.398 -18.473 -0.270) 18.991 14.198 ( -8.142 -17.599 0.503) 19.398 14.966 ( 5.395 2.252 4.280) 7.246 15.705 ( -7.271 3.034 -12.918) 15.131 18.589 ( -6.315 -15.368 1.959) 16.731 21.149 ( -0.192 -4.777 1.220) 4.934 21.238 ( -4.839 -1.506 -0.504) 5.093 21.331 ( 0.114 -3.293 2.880) 4.376 21.455 ( 2.662 0.325 -0.339) 2.703 21.793 ( 4.779 1.461 -2.558) 5.614 22.731 ( -2.550 0.555 -1.331) 2.930 30.374 ( 0.393 2.400 -1.097) 2.668 30.569 ( 0.942 1.610 -4.375) 4.756 32.805 ( -7.355 -19.093 10.093) 22.815 38.042 ( 4.192 4.405 -0.209) 6.085 38.433 ( 2.843 7.695 0.193) 8.206 39.346 ( 11.531 25.382 10.596) 29.824 40.596 ( 3.735 23.868 -31.384) 39.605 ======================= Grid point 349 (124/189) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 4.750 -4.023 22.102) 22.962 2.671 ( 6.368 15.559 12.656) 21.043 2.816 ( -3.940 1.264 0.705) 4.197 3.323 ( 7.614 19.594 16.729) 26.865 3.649 ( -2.735 5.735 -2.643) 6.881 3.960 ( 11.397 6.029 -2.586) 13.150 4.319 ( 3.875 9.892 7.105) 12.781 4.935 ( 9.079 8.866 -16.980) 21.198 5.091 ( 6.730 12.152 -0.055) 13.891 5.667 ( 13.439 20.336 -1.619) 24.429 6.589 ( 13.372 19.255 -12.556) 26.593 7.298 ( 0.631 15.256 -0.034) 15.269 7.950 ( 4.636 4.674 -7.009) 9.616 8.808 ( 7.078 9.116 5.320) 12.709 9.303 ( 14.503 10.533 6.860) 19.192 9.408 ( 1.681 10.584 2.506) 11.006 11.165 ( 3.438 8.801 -3.163) 9.964 13.223 ( -3.059 -6.207 1.049) 6.998 13.761 ( -11.189 -18.830 -0.812) 21.919 13.860 ( -9.494 -18.438 0.659) 20.749 15.086 ( 5.401 -0.374 3.753) 6.588 15.521 ( -11.712 0.568 -5.108) 12.790 18.318 ( -7.522 -15.551 0.534) 17.283 21.065 ( -2.471 -6.789 0.026) 7.225 21.193 ( -0.170 0.054 0.724) 0.746 21.326 ( 1.140 -2.690 3.465) 4.532 21.489 ( 1.199 1.147 -2.642) 3.120 21.891 ( 2.897 5.268 -1.342) 6.160 22.655 ( -3.991 -2.370 -1.777) 4.970 30.430 ( 2.123 4.973 0.208) 5.411 30.608 ( 2.565 2.996 -4.565) 6.033 32.530 ( -8.676 -13.880 5.648) 17.316 38.169 ( 4.145 6.519 -0.556) 7.745 38.593 ( 5.165 10.123 0.436) 11.373 39.824 ( 15.174 15.676 12.564) 25.176 40.703 ( 0.429 9.782 -22.443) 24.486 ======================= Grid point 350 (125/189) ======================= q-point: ( 0.58 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 1.562 -3.412 15.575) 16.020 2.700 ( -10.621 4.406 1.359) 11.579 2.915 ( 1.295 8.504 10.255) 13.385 3.404 ( -15.321 12.209 18.308) 26.814 3.612 ( -4.367 2.547 -13.865) 14.758 4.194 ( 12.152 -2.383 0.665) 12.401 4.572 ( 0.243 21.835 -5.337) 22.479 5.135 ( 14.603 -1.132 -5.981) 15.821 5.390 ( 11.771 18.950 -0.452) 22.313 6.093 ( 13.499 20.701 2.266) 24.817 6.948 ( 8.704 19.085 -11.230) 23.793 7.571 ( 12.433 10.699 5.194) 17.205 8.066 ( 11.128 2.227 -6.094) 12.881 9.021 ( 6.349 6.402 4.409) 10.037 9.509 ( 6.858 2.353 1.165) 7.343 9.673 ( 9.495 8.587 2.959) 13.140 11.246 ( -0.669 0.240 -1.171) 1.370 13.063 ( -7.442 -10.549 -0.794) 12.934 13.401 ( -10.194 -12.239 -0.512) 15.936 13.577 ( -5.769 -9.276 0.329) 10.929 15.151 ( 0.800 0.126 -1.486) 1.693 15.315 ( -12.503 2.536 3.537) 13.239 18.058 ( -3.731 -17.132 0.203) 17.534 20.960 ( -0.643 -8.537 -0.757) 8.594 21.207 ( 0.745 0.651 0.696) 1.209 21.321 ( 0.112 -3.042 2.015) 3.651 21.517 ( 0.822 3.187 -2.030) 3.867 21.971 ( -1.428 9.034 -1.173) 9.221 22.565 ( -1.783 -3.936 -0.574) 4.359 30.536 ( 3.462 5.674 1.169) 6.749 30.672 ( 3.033 2.675 -3.641) 5.442 32.288 ( -7.522 -9.893 2.746) 12.728 38.296 ( 1.734 9.164 -0.565) 9.344 38.788 ( 3.687 12.878 0.519) 13.405 40.232 ( 15.661 5.120 12.075) 20.427 40.660 ( -2.570 -0.374 -16.141) 16.348 ======================= Grid point 351 (126/189) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( -0.099 -0.669 6.355) 6.391 2.559 ( -12.057 7.026 0.990) 13.990 2.970 ( -8.073 8.521 9.199) 14.913 3.318 ( -12.183 5.522 20.862) 24.782 3.511 ( -2.200 0.784 -15.612) 15.786 4.312 ( 6.067 -2.131 -5.547) 8.492 4.642 ( -11.646 23.637 -12.969) 29.369 5.295 ( 5.155 -1.489 5.168) 7.450 5.814 ( 11.221 18.939 6.263) 22.887 6.538 ( 11.935 21.369 -0.190) 24.477 7.158 ( 2.235 12.298 -7.289) 14.469 7.756 ( 0.547 0.930 4.732) 4.853 8.444 ( 26.309 7.007 -5.439) 27.764 9.158 ( 3.630 3.174 1.079) 4.941 9.604 ( -1.136 -7.538 -0.723) 7.657 9.873 ( 15.879 -0.447 1.069) 15.922 11.091 ( -6.095 -19.114 2.747) 20.249 12.797 ( -8.128 -9.600 -1.910) 12.723 13.228 ( -3.163 0.161 0.132) 3.170 13.496 ( -1.465 1.096 -0.375) 1.868 15.044 ( -14.224 8.140 -0.926) 16.415 15.257 ( -0.465 1.894 3.571) 4.068 17.874 ( 2.525 -18.089 0.856) 18.285 20.872 ( 1.646 -9.905 -2.411) 10.327 21.228 ( 0.428 0.816 0.596) 1.098 21.290 ( -0.925 -2.291 0.488) 2.518 21.559 ( 0.154 3.783 0.191) 3.791 22.012 ( -4.400 10.950 -2.123) 11.990 22.528 ( 1.617 -3.574 1.561) 4.222 30.649 ( 3.201 4.295 1.035) 5.456 30.724 ( 1.594 1.252 -2.020) 2.861 32.112 ( -4.399 -6.056 1.116) 7.568 38.395 ( -1.679 10.804 -0.211) 10.936 38.949 ( -1.593 14.821 0.393) 14.911 40.492 ( 1.607 -9.803 -1.246) 10.011 40.567 ( 10.263 -0.453 -0.605) 10.291 ======================= Grid point 352 (127/189) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( -2.068 0.637 -4.971) 5.422 2.471 ( -8.714 11.195 3.401) 14.589 2.913 ( -9.511 6.580 6.018) 13.037 3.240 ( -11.354 6.620 18.443) 22.647 3.466 ( 2.173 -3.844 -3.422) 5.586 4.299 ( -4.908 2.125 -10.783) 12.036 4.657 ( -6.276 22.107 -11.718) 25.796 5.331 ( -2.760 1.660 5.113) 6.043 6.102 ( 0.227 13.013 8.929) 15.783 6.777 ( -5.958 10.041 -4.903) 12.663 7.271 ( 2.993 9.072 1.494) 9.669 7.730 ( -3.465 -1.222 0.531) 3.712 8.804 ( 2.274 9.234 -2.795) 9.913 9.200 ( -2.752 -23.926 -5.951) 24.808 9.352 ( 1.792 -2.332 0.137) 2.944 10.149 ( 6.840 -6.038 2.137) 9.371 10.856 ( 11.926 -21.722 4.149) 25.125 12.677 ( 1.993 -1.310 -1.825) 3.003 13.255 ( 1.008 5.565 1.794) 5.933 13.457 ( -5.861 2.236 -2.363) 6.704 14.937 ( -9.992 13.803 1.358) 17.094 15.296 ( 1.222 2.581 1.392) 3.177 17.802 ( 8.319 -15.887 1.293) 17.979 20.815 ( 4.244 -9.256 -3.219) 10.680 21.238 ( -0.567 0.631 0.580) 1.027 21.257 ( -0.827 -1.240 0.235) 1.509 21.588 ( -0.954 2.852 0.913) 3.143 22.028 ( -5.061 10.673 -2.606) 12.096 22.552 ( 3.514 -2.516 2.486) 4.986 30.712 ( -1.141 0.311 0.024) 1.182 30.738 ( 1.246 1.406 -0.477) 1.938 32.039 ( 0.411 -2.400 0.594) 2.506 38.441 ( -5.241 10.186 0.017) 11.456 39.010 ( -8.259 13.896 0.315) 16.168 40.314 ( -4.085 -11.365 -5.165) 13.135 40.794 ( 15.033 -5.617 3.773) 16.486 ======================= Grid point 353 (128/189) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( -8.824 -0.156 -11.665) 14.628 2.519 ( -2.096 11.737 8.344) 14.552 2.831 ( -6.192 0.794 3.029) 6.939 3.209 ( -11.111 11.167 18.410) 24.230 3.485 ( 5.481 -4.581 5.884) 9.255 4.147 ( -12.109 5.804 -9.569) 16.489 4.754 ( -3.906 19.991 -11.277) 23.282 5.270 ( -7.569 0.768 1.722) 7.801 6.124 ( -11.745 5.798 6.359) 14.560 6.495 ( -20.600 -11.264 -5.725) 24.166 7.408 ( -6.181 13.658 0.726) 15.009 7.644 ( -2.135 -2.829 0.172) 3.548 8.524 ( -17.225 -24.503 -5.131) 30.388 8.931 ( -6.270 -0.215 1.365) 6.420 9.487 ( 1.969 2.941 -0.591) 3.589 9.900 ( -12.518 -17.914 1.627) 21.915 11.150 ( 24.039 -4.808 2.413) 24.633 12.814 ( 12.746 2.530 -1.725) 13.108 13.346 ( 2.165 3.704 0.856) 4.375 13.367 ( -1.981 2.541 -1.166) 3.426 14.970 ( -3.727 13.527 -0.073) 14.032 15.365 ( 4.632 0.397 2.841) 5.448 17.856 ( 12.588 -9.938 0.754) 16.056 20.824 ( 6.936 -6.063 -2.333) 9.503 21.219 ( -1.242 -0.609 0.062) 1.384 21.247 ( -0.408 0.201 0.950) 1.053 21.587 ( -1.926 1.663 0.172) 2.551 22.029 ( -5.340 8.752 -1.958) 10.438 22.604 ( 4.398 -2.398 1.355) 5.189 30.641 ( -5.303 -1.626 0.524) 5.572 30.770 ( 0.655 1.043 -1.596) 2.016 32.078 ( 5.024 -0.156 1.214) 5.170 38.413 ( -7.963 7.149 -0.206) 10.703 38.944 ( -12.634 9.154 0.369) 15.606 40.113 ( -6.969 -8.639 -0.796) 11.129 40.984 ( 13.426 -6.143 -1.080) 14.804 ======================= Grid point 360 (129/189) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( -0.000 -3.821 25.882) 26.162 2.282 ( 0.000 11.119 -6.055) 12.661 2.880 ( -0.000 10.630 16.989) 20.040 2.948 ( -0.000 8.647 13.674) 16.178 3.519 ( 0.000 2.437 -0.292) 2.455 4.003 ( 0.000 13.823 -3.571) 14.277 4.244 ( -0.000 1.130 6.020) 6.125 4.955 ( -0.000 8.976 4.182) 9.903 5.074 ( 0.000 29.817 -9.660) 31.342 5.249 ( 0.000 23.915 -2.269) 24.022 6.339 ( 0.000 16.855 -16.585) 23.646 7.474 ( 0.000 19.500 -7.598) 20.928 7.792 ( 0.000 8.173 -4.200) 9.189 8.736 ( 0.000 19.418 2.849) 19.626 8.960 ( -0.000 5.749 10.681) 12.129 9.402 ( 0.000 13.248 3.788) 13.779 11.087 ( 0.000 9.379 -3.374) 9.968 13.272 ( -0.000 -6.890 2.436) 7.308 13.920 ( -0.000 -20.950 0.068) 20.950 14.092 ( -0.000 -20.163 0.812) 20.179 14.934 ( -0.000 -1.154 4.107) 4.266 15.723 ( 0.000 -2.451 -12.555) 12.792 18.520 ( -0.000 -12.805 2.890) 13.127 21.103 ( -0.000 -4.735 0.716) 4.789 21.281 ( 0.000 -1.724 -0.657) 1.845 21.324 ( -0.000 -1.587 3.477) 3.822 21.424 ( 0.000 0.558 -0.185) 0.588 21.729 ( 0.000 0.013 -2.393) 2.393 22.760 ( 0.000 0.358 -1.743) 1.779 30.399 ( 0.000 4.382 -0.838) 4.461 30.566 ( 0.000 2.464 -3.873) 4.590 32.705 ( -0.000 -18.789 7.041) 20.065 38.040 ( 0.000 4.155 -0.151) 4.157 38.472 ( 0.000 6.492 0.213) 6.495 39.555 ( -0.000 26.247 11.723) 28.746 40.706 ( 0.000 21.237 -25.908) 33.500 ======================= Grid point 361 (130/189) ======================= q-point: ( 0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 5.560 -5.825 22.083) 23.505 2.492 ( 16.534 -1.070 -3.672) 16.971 3.002 ( -1.549 8.877 8.351) 12.286 3.219 ( 15.740 9.721 16.753) 24.958 3.583 ( 7.918 -4.030 -3.410) 9.517 4.038 ( -4.795 6.223 -6.142) 9.972 4.243 ( 4.986 -5.058 0.940) 7.164 4.998 ( -4.652 13.552 1.776) 14.438 5.309 ( -4.694 31.173 -9.559) 32.942 5.675 ( 12.454 26.430 5.383) 29.709 6.522 ( 9.028 16.391 -13.496) 23.071 7.551 ( -8.354 20.523 -4.326) 22.576 7.932 ( 4.163 9.424 -3.895) 11.014 8.875 ( -1.409 11.068 5.532) 12.453 9.210 ( 12.134 12.141 7.693) 18.810 9.539 ( -1.473 14.083 2.575) 14.393 11.200 ( 2.204 10.913 -3.562) 11.689 13.196 ( -1.492 -7.831 0.759) 8.008 13.684 ( -3.606 -20.568 -0.421) 20.886 13.821 ( -7.147 -20.342 1.136) 21.591 14.976 ( 6.009 -4.257 3.934) 8.349 15.604 ( -3.909 -5.198 -8.864) 10.994 18.340 ( -8.700 -10.665 2.167) 13.933 21.044 ( -2.154 -5.708 0.741) 6.146 21.225 ( -3.002 -0.071 0.070) 3.004 21.310 ( -0.138 -1.454 3.689) 3.968 21.468 ( 2.281 1.688 -1.389) 3.159 21.800 ( 8.136 0.358 -1.710) 8.321 22.712 ( -4.325 -0.867 -2.376) 5.010 30.459 ( 1.075 6.309 0.001) 6.400 30.593 ( 1.221 3.390 -3.466) 4.999 32.513 ( -4.331 -15.470 4.049) 16.567 38.131 ( 5.438 4.575 -0.320) 7.114 38.584 ( 5.398 7.283 0.223) 9.068 39.874 ( 4.856 19.167 12.698) 23.499 40.778 ( -3.056 13.462 -20.002) 24.303 ======================= Grid point 362 (131/189) ======================= q-point: ( 0.58 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 4.562 -6.160 17.683) 19.273 2.673 ( 9.249 -5.949 -2.077) 11.192 3.081 ( -3.708 8.681 11.716) 15.046 3.529 ( 6.209 -1.786 -14.155) 15.560 3.748 ( 6.488 3.638 15.487) 17.181 3.976 ( 1.842 1.301 -4.280) 4.838 4.442 ( 23.655 -1.815 -0.327) 23.726 5.080 ( -3.551 13.519 -0.197) 13.979 5.520 ( -0.490 31.743 -8.809) 32.946 6.120 ( 11.477 21.203 3.807) 24.409 6.873 ( 16.018 16.594 -8.762) 24.672 7.633 ( -1.848 17.096 1.158) 17.234 8.025 ( -1.976 8.332 -3.579) 9.281 9.003 ( 4.484 6.520 5.398) 9.580 9.495 ( 3.849 7.788 2.442) 9.024 9.663 ( 1.627 10.477 2.595) 10.915 11.280 ( -2.424 2.571 -2.727) 4.463 13.049 ( -4.666 -12.992 -0.088) 13.805 13.409 ( -6.375 -14.275 -1.048) 15.669 13.562 ( -3.570 -10.338 1.251) 11.008 15.067 ( 7.331 -3.147 2.563) 8.379 15.461 ( -4.554 -3.922 -3.763) 7.091 18.050 ( -12.277 -11.468 0.658) 16.813 20.925 ( -4.108 -7.105 1.114) 8.282 21.211 ( -0.052 0.945 0.506) 1.073 21.307 ( -0.098 -1.560 2.313) 2.792 21.517 ( 1.836 3.129 -1.761) 4.033 21.962 ( 8.785 2.341 -0.628) 9.114 22.599 ( -5.912 -1.554 -2.289) 6.527 30.554 ( 2.125 6.659 0.979) 7.058 30.644 ( 2.127 3.251 -2.907) 4.852 32.303 ( -5.566 -11.544 1.938) 12.961 38.295 ( 7.159 6.289 -0.482) 9.542 38.794 ( 8.952 9.690 0.203) 13.194 40.149 ( 6.160 8.230 12.332) 16.055 40.719 ( -7.466 5.456 -15.158) 17.756 ======================= Grid point 363 (132/189) ======================= q-point: ( 0.67 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 2.288 -4.583 10.906) 12.049 2.699 ( 0.101 -1.414 -2.152) 2.577 3.109 ( -3.957 1.432 11.418) 12.169 3.463 ( -1.716 -1.989 -19.887) 20.060 3.739 ( -12.924 6.956 17.923) 23.166 4.115 ( 10.944 -2.740 -6.456) 12.998 4.904 ( 19.126 6.037 3.791) 20.411 5.111 ( -1.852 7.513 -5.186) 9.315 5.879 ( 8.648 28.976 -2.980) 30.385 6.567 ( 14.890 22.902 3.132) 27.496 7.203 ( 5.399 11.903 -6.095) 14.422 7.860 ( 5.299 14.922 5.025) 16.613 8.062 ( 7.410 3.561 -4.257) 9.258 9.172 ( 5.230 4.416 3.119) 7.522 9.566 ( 0.467 5.084 -1.220) 5.249 9.711 ( -1.637 -6.362 1.793) 6.809 11.074 ( -12.179 -17.694 -0.251) 21.481 12.809 ( -6.462 -12.465 -0.657) 14.056 13.260 ( -1.457 -1.411 -0.859) 2.202 13.508 ( 1.027 0.392 0.741) 1.326 15.171 ( 4.325 2.482 0.137) 4.989 15.353 ( -4.971 -0.508 0.683) 5.043 17.743 ( -8.033 -13.919 -0.057) 16.071 20.790 ( -2.994 -7.846 0.263) 8.402 21.227 ( 0.550 0.849 0.353) 1.071 21.290 ( -0.714 -1.299 0.600) 1.599 21.579 ( 1.675 3.589 -0.468) 3.989 22.112 ( 3.984 5.339 -0.190) 6.664 22.494 ( -2.766 -2.085 -1.100) 3.634 30.654 ( 2.093 4.916 1.400) 5.523 30.701 ( 2.126 2.239 -2.148) 3.761 32.126 ( -4.524 -7.480 0.745) 8.773 38.472 ( 4.764 8.432 -0.309) 9.689 39.053 ( 7.326 13.120 0.126) 15.027 40.321 ( 6.502 -4.528 10.038) 12.789 40.553 ( -8.184 0.506 -10.975) 13.700 ======================= Grid point 364 (133/189) ======================= q-point: ( 0.75 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 0.201 -1.991 1.759) 2.664 2.670 ( -3.881 4.696 -1.398) 6.251 3.039 ( -5.783 -4.548 5.010) 8.900 3.358 ( -0.250 -3.502 -10.555) 11.124 3.661 ( -12.969 8.734 22.813) 27.657 4.218 ( 7.270 -1.732 -10.595) 12.965 5.015 ( -11.016 18.361 -7.158) 22.577 5.266 ( 10.890 -2.681 1.241) 11.284 6.274 ( 4.978 22.686 4.609) 23.678 7.004 ( 0.396 22.331 -6.023) 23.133 7.250 ( 4.411 -2.948 4.781) 7.141 7.922 ( -12.717 17.629 2.244) 21.852 8.506 ( 33.279 2.433 -4.267) 33.640 9.108 ( -11.137 -18.161 -2.422) 21.441 9.464 ( -12.220 4.878 1.594) 13.254 9.828 ( 21.824 -3.924 0.320) 22.176 10.614 ( -10.710 -28.021 1.848) 30.055 12.646 ( -1.816 -4.451 -0.871) 4.885 13.280 ( 1.200 3.288 0.182) 3.505 13.543 ( -0.896 3.041 -0.426) 3.199 15.223 ( -6.146 8.784 -0.020) 10.721 15.310 ( -0.085 1.333 1.489) 2.000 17.546 ( 1.882 -13.915 0.110) 14.042 20.689 ( 0.129 -6.700 -0.860) 6.756 21.242 ( 0.269 0.377 0.031) 0.464 21.267 ( -0.884 -0.657 0.400) 1.172 21.626 ( 0.109 2.377 0.392) 2.412 22.183 ( -2.438 7.065 -1.039) 7.546 22.473 ( 2.653 -2.390 0.522) 3.609 30.722 ( 1.186 2.213 0.558) 2.572 30.735 ( 0.514 0.993 -0.787) 1.367 32.020 ( -1.497 -3.576 0.282) 3.887 38.596 ( -0.634 8.565 -0.049) 8.589 39.258 ( -1.185 15.117 0.304) 15.167 40.251 ( -3.883 -11.448 -2.161) 12.281 40.531 ( 8.302 -3.547 1.381) 9.133 ======================= Grid point 365 (134/189) ======================= q-point: (-0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( -3.893 0.805 -7.018) 8.065 2.659 ( -3.125 4.175 1.641) 5.467 2.908 ( -4.387 -3.825 3.781) 6.940 3.304 ( 1.905 -8.606 0.387) 8.823 3.636 ( -9.914 9.755 22.482) 26.436 4.247 ( 0.753 1.176 -10.997) 11.085 4.999 ( -6.963 16.093 -8.817) 19.627 5.337 ( -0.167 -0.901 -0.855) 1.253 6.442 ( -9.625 10.256 5.460) 15.087 6.778 ( -22.544 -2.006 -4.382) 23.053 7.503 ( 10.233 2.897 2.441) 10.911 7.845 ( -16.964 17.879 0.474) 24.651 8.521 ( -16.975 -29.004 -3.686) 33.807 9.006 ( 11.110 7.290 -1.151) 13.338 9.439 ( 1.723 8.111 2.107) 8.555 9.885 ( -7.117 -18.104 -0.667) 19.464 10.592 ( 31.114 -7.117 2.154) 31.990 12.660 ( 6.076 0.469 -0.988) 6.173 13.326 ( 1.160 0.775 -0.465) 1.471 13.503 ( -6.461 2.752 0.111) 7.024 15.190 ( -7.045 9.369 0.614) 11.738 15.326 ( 0.356 -1.563 1.136) 1.964 17.551 ( 11.180 -8.010 0.027) 13.753 20.674 ( 4.366 -2.916 -0.672) 5.293 21.236 ( -1.026 -0.170 -0.187) 1.056 21.257 ( -0.209 -0.070 0.865) 0.892 21.630 ( -1.424 0.757 0.270) 1.635 22.180 ( -4.485 5.450 -0.932) 7.119 22.511 ( 3.760 -2.274 -0.036) 4.394 30.707 ( -3.272 -0.310 0.154) 3.291 30.762 ( 1.006 0.844 -0.550) 1.423 32.009 ( 2.566 -0.959 0.444) 2.775 38.604 ( -6.320 5.027 -0.145) 8.077 39.262 ( -12.577 8.806 0.197) 15.355 40.111 ( -1.555 -5.013 0.254) 5.255 40.677 ( 13.593 -5.891 -1.081) 14.854 ======================= Grid point 373 (135/189) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( -0.000 -8.777 19.136) 21.052 2.269 ( 0.000 -4.546 -3.583) 5.788 3.070 ( -0.000 5.410 7.277) 9.068 3.192 ( -0.000 0.437 2.076) 2.121 3.485 ( -0.000 -2.530 6.109) 6.612 3.997 ( 0.000 -3.567 -20.308) 20.619 4.212 ( -0.000 -2.119 10.176) 10.394 5.195 ( -0.000 11.956 5.811) 13.293 5.664 ( 0.000 32.191 -11.708) 34.254 5.833 ( -0.000 24.747 9.811) 26.621 6.535 ( 0.000 13.574 -13.180) 18.920 7.854 ( 0.000 17.871 -4.893) 18.528 7.970 ( 0.000 15.552 -0.488) 15.559 9.047 ( -0.000 9.215 3.064) 9.711 9.234 ( -0.000 14.248 9.890) 17.345 9.726 ( 0.000 17.840 1.495) 17.902 11.288 ( 0.000 12.855 -3.765) 13.395 13.119 ( -0.000 -11.446 0.161) 11.447 13.518 ( -0.000 -17.774 -0.255) 17.776 13.683 ( -0.000 -20.819 1.611) 20.881 14.864 ( -0.000 -8.277 3.368) 8.936 15.529 ( 0.000 -8.231 -9.356) 12.461 18.355 ( -0.000 -6.294 2.704) 6.850 21.025 ( -0.000 -3.648 1.558) 3.967 21.253 ( 0.000 -0.924 -0.496) 1.049 21.319 ( -0.000 -1.770 3.659) 4.065 21.448 ( 0.000 2.441 -0.950) 2.619 21.708 ( 0.000 -0.703 -1.598) 1.746 22.735 ( 0.000 -0.962 -2.870) 3.027 30.516 ( 0.000 7.143 -0.268) 7.148 30.609 ( 0.000 3.823 -2.011) 4.320 32.411 ( -0.000 -14.254 2.188) 14.421 38.116 ( 0.000 3.582 -0.225) 3.589 38.591 ( 0.000 5.247 0.222) 5.252 40.069 ( -0.000 16.811 12.561) 20.986 40.877 ( 0.000 11.995 -16.553) 20.442 ======================= Grid point 374 (136/189) ======================= q-point: ( 0.58 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 7.380 -9.047 16.496) 20.210 2.368 ( 14.828 -6.841 -0.250) 16.331 3.207 ( 2.569 2.794 6.044) 7.137 3.250 ( 12.698 -2.189 -15.706) 20.315 3.566 ( 10.743 -1.056 10.510) 15.066 3.932 ( 4.570 -3.934 -13.039) 14.366 4.227 ( 0.097 -0.367 10.199) 10.206 5.286 ( -3.691 9.815 6.103) 12.133 5.842 ( -3.840 26.200 -14.141) 30.019 6.156 ( 6.789 18.334 6.532) 20.613 6.742 ( 12.227 14.477 -6.877) 20.159 7.856 ( -7.023 6.846 -0.484) 9.819 8.206 ( 0.106 22.710 -1.644) 22.769 9.079 ( -4.023 7.310 4.610) 9.533 9.480 ( 7.238 7.290 6.852) 12.349 9.864 ( -5.286 18.531 -0.657) 19.282 11.365 ( -3.862 6.229 -3.620) 8.174 12.965 ( -2.117 -15.938 0.219) 16.080 13.342 ( -2.314 -12.972 -1.301) 13.241 13.500 ( -0.725 -11.089 2.368) 11.363 14.868 ( 9.041 -8.424 2.585) 12.625 15.415 ( -0.526 -7.023 -6.831) 9.811 18.202 ( -12.069 -5.216 1.295) 13.211 20.957 ( -4.716 -3.996 2.340) 6.610 21.229 ( -0.949 0.376 -0.143) 1.030 21.306 ( -0.452 -1.604 2.849) 3.300 21.503 ( 2.527 2.700 -1.274) 3.911 21.786 ( 9.774 -0.577 -0.776) 9.821 22.676 ( -4.361 -0.692 -2.997) 5.337 30.593 ( 1.207 6.522 -0.454) 6.648 30.648 ( 0.659 3.706 -0.646) 3.819 32.266 ( -2.676 -11.104 0.827) 11.452 38.209 ( 6.815 3.504 -0.310) 7.670 38.709 ( 7.990 5.086 0.179) 9.473 40.243 ( -0.378 9.299 11.636) 14.900 40.871 ( -6.660 8.438 -12.991) 16.862 ======================= Grid point 375 (137/189) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 5.455 -6.604 14.034) 16.441 2.544 ( 12.027 -5.241 -0.027) 13.119 3.206 ( -2.698 -4.240 2.062) 5.432 3.359 ( 5.745 1.846 -16.292) 17.374 3.772 ( 10.371 -3.245 -12.799) 16.790 4.036 ( 3.088 2.040 13.404) 13.905 4.419 ( 25.727 -1.252 9.452) 27.437 5.307 ( -5.122 6.626 2.754) 8.816 6.025 ( 3.830 22.799 -12.635) 26.346 6.498 ( 13.526 14.681 5.351) 20.667 7.118 ( 15.588 12.987 -4.789) 20.846 7.798 ( -1.823 -1.233 1.293) 2.552 8.377 ( -7.771 26.367 0.398) 27.492 9.122 ( 1.513 2.424 4.268) 5.136 9.562 ( -0.412 -7.258 2.881) 7.820 9.900 ( -10.615 16.644 -1.354) 19.788 11.153 ( -15.982 -13.429 -2.577) 21.034 12.770 ( -3.443 -12.284 0.471) 12.766 13.246 ( 0.860 -1.510 -1.545) 2.326 13.471 ( 2.985 -2.165 1.948) 4.170 15.013 ( 13.602 -3.916 1.704) 14.257 15.342 ( 0.518 -3.828 -3.798) 5.417 17.884 ( -17.764 -5.867 -0.018) 18.708 20.820 ( -6.752 -4.526 2.193) 8.419 21.232 ( 0.080 0.821 0.230) 0.857 21.289 ( -0.437 -1.414 0.533) 1.573 21.571 ( 2.681 2.721 -0.794) 3.901 21.982 ( 12.195 0.376 0.532) 12.213 22.571 ( -6.065 0.337 -2.249) 6.477 30.673 ( 1.837 4.452 -0.418) 4.834 30.692 ( 0.791 2.639 0.116) 2.757 32.123 ( -3.441 -7.038 0.136) 7.835 38.396 ( 10.145 4.066 -0.291) 10.934 38.954 ( 13.761 6.027 -0.046) 15.023 40.302 ( -2.159 -0.556 9.226) 9.491 40.735 ( -12.227 5.674 -9.120) 16.274 ======================= Grid point 376 (138/189) ======================= q-point: ( 0.75 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 2.438 -3.718 7.871) 9.040 2.666 ( 5.836 -0.506 -0.713) 5.901 3.081 ( -4.501 -7.468 -1.552) 8.857 3.340 ( -3.635 0.624 -8.352) 9.130 3.848 ( 6.826 -3.383 -9.034) 11.817 4.094 ( -1.117 3.864 9.479) 10.297 4.940 ( 25.663 -1.303 6.861) 26.596 5.273 ( -6.320 6.733 -0.273) 9.239 6.336 ( 11.853 18.066 -7.113) 22.748 6.925 ( 19.465 5.328 8.537) 21.912 7.318 ( -5.467 7.800 -7.644) 12.213 7.934 ( 24.803 -3.456 -0.001) 25.043 8.469 ( -14.787 30.338 2.612) 33.851 9.077 ( -7.574 -20.175 3.388) 21.815 9.478 ( 9.880 -7.473 -1.166) 12.442 9.834 ( -15.328 16.977 -0.777) 22.886 10.629 ( -20.098 -22.565 -1.036) 30.236 12.639 ( -2.413 -4.029 0.395) 4.713 13.284 ( 1.634 2.830 -0.695) 3.341 13.536 ( 3.826 0.498 0.797) 3.940 15.221 ( 10.431 0.511 0.486) 10.455 15.325 ( 0.482 -0.460 -1.352) 1.508 17.548 ( -13.262 -5.260 -0.140) 14.268 20.680 ( -4.872 -3.428 0.828) 6.014 21.241 ( 0.257 0.272 0.206) 0.427 21.271 ( -0.361 -0.770 -0.316) 0.908 21.630 ( 1.671 1.437 -0.325) 2.228 22.173 ( 8.174 1.085 0.814) 8.286 22.481 ( -4.291 1.152 -0.899) 4.533 30.725 ( 0.807 1.054 0.453) 1.403 30.731 ( 1.211 1.981 -0.438) 2.363 32.022 ( -2.496 -3.034 -0.066) 3.930 38.596 ( 7.685 3.718 -0.081) 8.538 39.261 ( 13.544 6.650 -0.247) 15.090 40.220 ( -4.665 -8.256 3.622) 10.151 40.556 ( -10.076 4.344 -3.146) 11.415 ======================= Grid point 377 (139/189) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( -0.095 -0.164 0.000) 0.189 2.711 ( -0.915 -1.586 -0.000) 1.831 2.939 ( -2.553 -4.421 -0.000) 5.105 3.230 ( -3.705 -6.418 -0.000) 7.410 3.861 ( -0.462 -0.800 0.000) 0.923 4.171 ( 2.710 4.693 -0.000) 5.419 5.163 ( -0.399 -0.691 -0.000) 0.798 5.294 ( 3.036 5.258 -0.000) 6.072 6.587 ( 0.098 0.170 -0.000) 0.196 7.070 ( -2.694 -4.666 -0.000) 5.388 7.327 ( 3.621 6.271 -0.000) 7.241 8.232 ( -7.870 -13.631 0.000) 15.739 8.587 ( 10.676 18.491 -0.000) 21.352 8.697 ( -2.539 -4.398 -0.000) 5.079 9.652 ( -5.324 -9.221 0.000) 10.648 9.763 ( 5.888 10.198 -0.000) 11.775 10.219 ( -2.634 -4.562 -0.000) 5.268 12.611 ( 0.565 0.979 -0.000) 1.130 13.319 ( 0.288 0.499 -0.000) 0.576 13.577 ( -0.052 -0.089 -0.000) 0.103 15.314 ( -0.946 -1.639 -0.000) 1.893 15.320 ( -0.085 -0.146 -0.000) 0.169 17.400 ( 0.143 0.248 -0.000) 0.286 20.621 ( 0.209 0.362 -0.000) 0.418 21.244 ( -0.107 -0.185 0.000) 0.213 21.259 ( -0.223 -0.387 -0.000) 0.447 21.647 ( -0.214 -0.371 -0.000) 0.428 22.255 ( 0.220 0.382 -0.000) 0.441 22.457 ( 0.400 0.693 -0.000) 0.800 30.745 ( 0.286 0.495 -0.000) 0.571 30.746 ( -0.122 -0.212 -0.000) 0.244 31.982 ( -0.183 -0.317 -0.000) 0.366 38.688 ( 0.096 0.167 -0.000) 0.193 39.442 ( -0.109 -0.190 -0.000) 0.219 40.097 ( -0.477 -0.827 -0.000) 0.955 40.500 ( 0.860 1.490 0.000) 1.720 ======================= Grid point 387 (140/189) ======================= q-point: ( 0.58 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -0.000 -10.739 12.680) 16.616 2.189 ( -0.000 -3.057 4.119) 5.129 2.951 ( 0.000 -9.127 -18.742) 20.846 3.280 ( -0.000 5.668 5.225) 7.709 3.473 ( -0.000 -4.459 2.669) 5.197 3.833 ( 0.000 -1.379 -6.419) 6.565 4.276 ( -0.000 0.481 10.909) 10.919 5.400 ( -0.000 3.883 1.818) 4.288 5.985 ( 0.000 11.984 -16.145) 20.107 6.338 ( -0.000 18.666 10.064) 21.206 6.749 ( 0.000 14.140 -3.153) 14.488 7.942 ( 0.000 -0.327 -2.696) 2.716 8.409 ( 0.000 18.961 1.175) 18.998 9.246 ( 0.000 10.022 2.903) 10.435 9.491 ( -0.000 3.585 8.476) 9.203 10.104 ( 0.000 19.425 -2.499) 19.585 11.471 ( 0.000 6.487 -4.247) 7.753 12.824 ( -0.000 -15.141 0.692) 15.157 13.229 ( -0.000 -11.542 -1.770) 11.677 13.412 ( -0.000 -7.737 3.381) 8.443 14.693 ( -0.000 -9.058 0.861) 9.099 15.335 ( 0.000 -4.915 -5.405) 7.306 18.280 ( -0.000 -3.211 0.015) 3.211 20.990 ( -0.000 -1.811 3.719) 4.136 21.231 ( 0.000 -0.779 -1.270) 1.490 21.308 ( -0.000 -1.710 3.728) 4.102 21.498 ( 0.000 2.904 -0.878) 3.034 21.686 ( 0.000 -0.562 -0.703) 0.901 22.696 ( 0.000 -0.401 -3.572) 3.595 30.635 ( 0.000 5.013 -1.404) 5.206 30.682 ( -0.000 3.487 1.093) 3.654 32.191 ( -0.000 -8.507 -0.025) 8.507 38.172 ( 0.000 2.210 -0.207) 2.219 38.673 ( 0.000 2.743 0.194) 2.749 40.365 ( -0.000 4.958 10.086) 11.239 40.978 ( 0.000 8.583 -10.172) 13.310 ======================= Grid point 388 (141/189) ======================= q-point: ( 0.67 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 10.776 -6.322 14.716) 19.304 2.282 ( 11.236 -2.772 2.599) 11.861 2.956 ( 15.607 -7.346 -22.540) 28.383 3.311 ( 0.181 -1.956 0.840) 2.136 3.548 ( 8.329 2.869 -11.774) 14.704 3.876 ( 9.802 -2.636 13.200) 16.652 4.319 ( 0.335 2.046 10.720) 10.918 5.395 ( -1.264 -0.734 -1.870) 2.374 6.057 ( 3.582 8.575 -13.144) 16.098 6.523 ( 1.891 11.751 7.264) 13.944 6.987 ( 11.508 11.383 0.773) 16.205 7.861 ( -5.466 -3.063 -2.320) 6.682 8.594 ( 3.785 11.890 1.016) 12.519 9.279 ( -7.346 10.491 3.775) 13.352 9.508 ( -1.917 -9.581 6.153) 11.547 10.212 ( -5.676 14.892 -3.154) 16.246 11.339 ( -16.380 -4.399 -4.379) 17.517 12.705 ( -0.770 -7.623 1.315) 7.773 13.184 ( 4.242 -1.277 -2.264) 4.975 13.388 ( 2.793 -4.911 3.512) 6.652 14.726 ( 11.698 -5.206 -0.236) 12.806 15.294 ( 0.533 -1.047 -3.088) 3.304 18.127 ( -13.397 -2.787 -1.374) 13.753 20.924 ( -6.848 -1.606 4.098) 8.140 21.232 ( 0.852 0.082 -0.888) 1.233 21.287 ( -1.321 -1.665 1.744) 2.750 21.542 ( 2.363 1.766 -0.931) 3.094 21.783 ( 10.613 0.419 0.995) 10.668 22.651 ( -3.592 0.567 -3.288) 4.902 30.682 ( 1.007 3.337 -0.835) 3.585 30.713 ( 0.090 1.501 1.024) 1.819 32.109 ( -1.762 -4.566 -0.424) 4.913 38.259 ( 7.772 1.584 -0.166) 7.933 38.777 ( 9.644 1.592 0.059) 9.774 40.382 ( -3.560 -1.874 7.429) 8.448 40.959 ( -8.178 7.952 -6.640) 13.199 ======================= Grid point 389 (142/189) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 5.382 -4.650 13.322) 15.102 2.493 ( 12.874 0.360 -0.826) 12.905 3.010 ( 3.273 -7.007 -12.353) 14.574 3.353 ( 6.183 -0.339 -5.039) 7.984 3.570 ( 4.118 -2.408 -20.385) 20.936 4.156 ( 8.627 -2.060 15.908) 18.213 4.533 ( 20.998 5.102 12.526) 24.977 5.360 ( -0.697 -1.497 -0.637) 1.770 6.205 ( 11.159 5.634 -11.243) 16.812 6.708 ( 9.696 -1.655 8.313) 12.879 7.305 ( 13.518 9.610 -4.846) 17.279 7.724 ( -3.132 -5.403 1.668) 6.464 8.780 ( 6.073 6.676 1.607) 9.167 9.138 ( -18.528 -12.374 5.672) 22.991 9.355 ( -0.794 -0.384 -0.339) 0.945 10.169 ( -9.845 2.412 -1.697) 10.277 10.897 ( -25.723 -0.560 -3.452) 25.959 12.659 ( -1.740 0.972 1.518) 2.505 13.275 ( 3.185 4.042 -1.974) 5.512 13.432 ( 6.238 -4.310 2.466) 7.973 14.950 ( 16.948 -1.540 -1.086) 17.053 15.310 ( 1.170 2.078 -1.297) 2.715 17.815 ( -18.772 -0.663 -1.130) 18.817 20.784 ( -8.637 -0.806 2.698) 9.085 21.240 ( 0.125 -0.349 0.075) 0.379 21.262 ( 0.028 -0.927 -0.738) 1.185 21.597 ( 2.798 0.445 -0.780) 2.939 22.003 ( 12.216 0.876 2.156) 12.436 22.576 ( -5.039 1.512 -1.981) 5.622 30.713 ( 0.701 -0.987 -0.082) 1.214 30.733 ( 0.863 1.799 0.471) 2.050 32.045 ( -2.463 -0.719 -0.518) 2.617 38.441 ( 11.405 0.483 -0.025) 11.415 39.013 ( 16.305 -0.178 -0.248) 16.308 40.267 ( -6.527 -6.774 3.834) 10.158 40.828 ( -13.494 7.624 -2.634) 15.721 ======================= Grid point 400 (143/189) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -0.000 -0.890 16.040) 16.065 2.182 ( -0.000 -0.237 2.288) 2.300 2.630 ( 0.000 -7.586 -23.078) 24.293 3.247 ( 0.000 -6.918 -7.532) 10.227 3.520 ( 0.000 7.759 -0.650) 7.786 3.814 ( -0.000 -3.200 9.996) 10.496 4.370 ( -0.000 1.665 9.539) 9.683 5.342 ( 0.000 -5.543 -9.590) 11.076 6.048 ( 0.000 3.727 -7.573) 8.440 6.625 ( -0.000 3.024 7.032) 7.654 6.992 ( -0.000 8.905 5.340) 10.383 7.860 ( 0.000 -4.332 -5.892) 7.313 8.612 ( -0.000 1.534 1.595) 2.212 9.398 ( -0.000 -3.260 3.078) 4.484 9.503 ( -0.000 -4.112 7.563) 8.608 10.324 ( 0.000 1.152 -3.890) 4.057 11.472 ( 0.000 0.017 -5.912) 5.912 12.685 ( -0.000 1.848 2.105) 2.801 13.113 ( 0.000 1.212 -1.988) 2.328 13.336 ( -0.000 -3.255 3.586) 4.843 14.593 ( 0.000 0.097 -0.834) 0.839 15.288 ( 0.000 2.712 -2.211) 3.499 18.214 ( 0.000 -2.185 -2.974) 3.691 21.000 ( -0.000 -0.510 5.016) 5.042 21.212 ( 0.000 0.003 -1.262) 1.262 21.307 ( -0.000 -0.991 3.316) 3.461 21.537 ( 0.000 1.167 -0.221) 1.188 21.681 ( 0.000 0.511 -0.069) 0.516 22.679 ( 0.000 1.369 -3.867) 4.102 30.696 ( 0.000 0.715 -0.105) 0.723 30.721 ( -0.000 0.362 0.724) 0.810 32.094 ( 0.000 -0.904 -0.838) 1.232 38.197 ( 0.000 0.400 -0.059) 0.404 38.697 ( -0.000 -0.410 0.048) 0.413 40.398 ( -0.000 -6.593 5.401) 8.523 41.093 ( 0.000 8.054 -4.008) 8.997 ======================= Grid point 401 (144/189) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 7.186 -3.319 17.466) 19.176 2.288 ( 10.696 3.973 -4.258) 12.179 2.685 ( 18.747 -4.296 -19.009) 27.042 3.161 ( 2.785 -6.968 -11.133) 13.426 3.571 ( -2.485 4.019 -6.908) 8.369 3.928 ( 12.969 -4.063 16.531) 21.400 4.452 ( 4.659 4.035 9.530) 11.350 5.272 ( 3.192 -6.179 -8.533) 11.008 6.069 ( 3.389 -0.775 -5.509) 6.514 6.618 ( 0.029 -8.040 6.024) 10.047 7.169 ( 9.085 4.610 5.473) 11.565 7.751 ( -4.117 -4.598 -5.918) 8.551 8.657 ( 5.784 -5.344 2.442) 8.245 9.220 ( -10.493 -20.370 3.272) 23.147 9.461 ( -2.514 2.034 3.939) 5.096 10.213 ( -4.476 -14.172 -3.215) 15.206 11.316 ( -15.906 7.126 -4.838) 18.088 12.743 ( -1.452 9.572 2.382) 9.970 13.215 ( 6.854 5.121 -2.907) 9.036 13.338 ( 1.110 -1.359 3.550) 3.960 14.711 ( 10.641 4.073 -0.699) 11.415 15.328 ( 0.332 5.630 -2.093) 6.016 18.080 ( -12.006 0.032 -2.630) 12.291 20.946 ( -7.602 0.568 4.713) 8.962 21.222 ( 0.974 -0.133 -0.872) 1.314 21.269 ( -2.464 -1.211 0.574) 2.805 21.554 ( 1.758 -0.069 -0.377) 1.799 21.814 ( 11.616 1.431 2.111) 11.893 22.655 ( -3.106 2.144 -3.306) 5.017 30.678 ( 0.361 -4.052 -0.432) 4.091 30.741 ( 0.521 1.613 1.384) 2.188 32.085 ( -1.569 2.393 -1.145) 3.082 38.267 ( 7.848 -0.750 0.067) 7.884 38.770 ( 9.678 -2.308 -0.163) 9.951 40.291 ( -3.991 -10.587 3.289) 11.783 41.088 ( -8.157 7.601 -1.429) 11.241 ======================= Grid point 413 (145/189) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( -0.000 -5.588 18.252) 19.088 2.216 ( 0.000 6.091 -18.037) 19.037 2.399 ( 0.000 -0.247 -6.952) 6.956 3.032 ( 0.000 -8.350 -10.013) 13.037 3.619 ( 0.000 4.075 -5.635) 6.954 3.832 ( -0.000 -3.986 12.993) 13.591 4.457 ( -0.000 0.528 7.191) 7.210 5.138 ( 0.000 -6.594 -10.708) 12.576 6.016 ( -0.000 -4.021 -0.306) 4.032 6.522 ( -0.000 -17.561 4.626) 18.160 7.146 ( -0.000 0.494 10.088) 10.100 7.707 ( 0.000 -4.942 -11.759) 12.756 8.545 ( -0.000 -9.733 4.872) 10.885 9.149 ( -0.000 -18.086 1.765) 18.172 9.428 ( -0.000 -11.357 5.520) 12.627 10.051 ( -0.000 -22.543 -4.588) 23.005 11.457 ( 0.000 0.010 -4.270) 4.270 12.892 ( 0.000 14.512 2.699) 14.761 13.237 ( 0.000 13.331 -2.933) 13.650 13.357 ( -0.000 4.148 2.959) 5.095 14.679 ( 0.000 7.519 0.352) 7.527 15.391 ( 0.000 9.167 -3.758) 9.907 18.180 ( 0.000 1.568 -2.608) 3.043 21.032 ( -0.000 0.466 4.240) 4.265 21.218 ( 0.000 1.025 -0.380) 1.093 21.307 ( -0.000 -0.974 1.995) 2.220 21.534 ( -0.000 -1.569 1.137) 1.938 21.712 ( 0.000 2.528 0.416) 2.562 22.694 ( 0.000 2.798 -3.927) 4.822 30.622 ( -0.000 -6.052 -0.742) 6.097 30.756 ( -0.000 1.019 2.292) 2.508 32.131 ( 0.000 4.971 -1.855) 5.306 38.186 ( -0.000 -1.547 0.199) 1.560 38.658 ( -0.000 -3.457 -0.244) 3.466 40.207 ( -0.000 -15.168 2.718) 15.409 41.225 ( 0.000 6.705 -0.169) 6.708 ======================= Grid point 480 (146/189) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( -0.000 0.000 4.192) 4.192 0.456 ( 0.000 -0.000 -2.745) 2.745 1.103 ( -0.000 0.000 32.028) 32.028 2.045 ( -0.000 0.000 35.240) 35.240 2.225 ( -0.000 0.000 68.889) 68.889 3.189 ( 0.000 -0.000 -23.681) 23.681 3.665 ( 0.000 -0.000 -8.639) 8.639 4.299 ( -0.000 0.000 9.466) 9.466 4.922 ( -0.000 0.000 13.177) 13.177 5.550 ( 0.000 -0.000 -28.780) 28.780 6.273 ( 0.000 -0.000 -3.509) 3.509 6.912 ( 0.000 -0.000 -16.254) 16.254 7.817 ( 0.000 -0.000 -22.086) 22.086 7.962 ( 0.000 -0.000 -0.580) 0.580 8.495 ( -0.000 0.000 15.906) 15.906 8.909 ( -0.000 0.000 5.187) 5.187 10.904 ( -0.000 0.000 1.465) 1.465 14.098 ( 0.000 -0.000 -2.438) 2.438 14.593 ( 0.000 -0.000 -0.255) 0.255 14.618 ( 0.000 -0.000 -0.403) 0.403 14.696 ( -0.000 0.000 0.347) 0.347 14.720 ( -0.000 0.000 0.199) 0.199 19.184 ( -0.000 0.000 5.828) 5.828 21.330 ( -0.000 0.000 0.010) 0.010 21.349 ( -0.000 0.000 0.014) 0.014 21.462 ( -0.000 0.000 0.010) 0.010 21.481 ( -0.000 0.000 0.014) 0.014 21.847 ( 0.000 -0.000 -4.611) 4.611 22.566 ( -0.000 0.000 2.165) 2.165 30.434 ( 0.000 -0.000 -1.325) 1.325 30.732 ( -0.000 0.000 1.049) 1.049 34.399 ( 0.000 -0.000 -0.069) 0.069 37.890 ( -0.000 0.000 0.220) 0.220 37.899 ( -0.000 0.000 0.235) 0.235 38.216 ( 0.000 -0.000 -0.338) 0.338 38.224 ( 0.000 -0.000 -0.323) 0.323 ======================= Grid point 481 (147/189) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 32.247 18.618 3.762) 37.425 1.404 ( 47.106 27.197 2.568) 54.454 1.571 ( 27.435 15.840 25.513) 40.676 2.310 ( 8.188 4.727 44.459) 45.453 2.689 ( 25.921 14.965 39.692) 49.712 3.141 ( 2.429 1.403 -15.955) 16.199 3.774 ( 8.504 4.910 -8.294) 12.853 4.349 ( 1.129 0.652 6.104) 6.242 4.905 ( -1.898 -1.096 9.760) 10.003 5.455 ( 0.836 0.483 -28.096) 28.112 6.166 ( -3.359 -1.939 -6.925) 7.937 6.882 ( 0.444 0.256 -7.512) 7.529 7.774 ( 3.477 2.008 -20.572) 20.960 8.074 ( 9.561 5.520 -0.703) 11.062 8.662 ( 7.198 4.156 12.371) 14.904 9.005 ( 6.205 3.582 2.177) 7.488 10.918 ( 0.988 0.571 0.425) 1.218 13.666 ( -16.536 -9.547 10.747) 21.911 14.545 ( -6.110 -3.527 -0.468) 7.070 14.623 ( -6.629 -3.827 0.523) 7.672 14.778 ( 6.239 3.602 1.891) 7.448 15.211 ( 24.887 14.369 -21.974) 36.176 19.073 ( -10.236 -5.910 5.190) 12.909 21.280 ( -5.515 -3.184 1.997) 6.674 21.321 ( -1.232 -0.711 0.109) 1.427 21.425 ( -2.301 -1.329 0.447) 2.695 21.469 ( 1.235 0.713 1.394) 1.994 21.824 ( -1.069 -0.617 -5.695) 5.828 22.641 ( 4.277 2.469 1.097) 5.059 30.399 ( -2.124 -1.226 -1.705) 2.987 30.646 ( -5.300 -3.060 0.432) 6.135 33.693 ( -37.551 -21.680 19.845) 47.686 37.933 ( 2.425 1.400 0.064) 2.801 38.212 ( 3.225 1.862 -0.146) 3.727 38.461 ( 20.582 11.883 2.402) 23.887 39.136 ( 67.122 38.753 -42.204) 88.251 ======================= Grid point 482 (148/189) ======================= q-point: ( 0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 22.611 13.054 3.417) 26.331 2.067 ( 6.949 4.012 39.060) 39.875 2.295 ( 26.712 15.422 11.215) 32.820 2.721 ( 14.017 8.093 14.646) 21.828 3.128 ( 11.833 6.832 -12.460) 18.492 3.595 ( 24.964 14.413 18.126) 34.051 3.966 ( 12.344 7.127 11.381) 18.240 4.438 ( 10.916 6.302 -4.331) 13.328 4.977 ( 5.752 3.321 6.584) 9.352 5.395 ( 3.109 1.795 -31.038) 31.245 6.161 ( 6.266 3.617 -13.580) 15.387 6.903 ( 3.573 2.063 3.089) 5.154 7.822 ( 6.196 3.578 -17.195) 18.625 8.377 ( 16.209 9.358 1.534) 18.779 8.882 ( 9.293 5.365 10.475) 14.996 9.163 ( 6.969 4.023 1.911) 8.271 10.958 ( 2.981 1.721 -1.590) 3.792 13.437 ( -8.250 -4.763 6.570) 11.572 14.323 ( -13.199 -7.620 -0.997) 15.273 14.410 ( -12.237 -7.065 1.226) 14.183 14.958 ( 7.520 4.342 5.986) 10.547 15.432 ( 2.745 1.585 -17.289) 17.578 18.819 ( -12.289 -7.095 2.466) 14.403 21.176 ( -3.815 -2.202 1.951) 4.817 21.288 ( -1.431 -0.826 0.093) 1.655 21.387 ( -1.252 -0.723 0.535) 1.542 21.521 ( 2.386 1.377 0.936) 2.909 21.763 ( -2.413 -1.393 -5.049) 5.767 22.705 ( 0.707 0.408 0.255) 0.855 30.356 ( -0.562 -0.324 -1.636) 1.760 30.568 ( -0.772 -0.446 -2.794) 2.933 33.083 ( -23.295 -13.449 14.420) 30.520 37.996 ( 3.063 1.768 -0.567) 3.582 38.308 ( 5.297 3.058 0.771) 6.164 39.063 ( 28.636 16.533 9.213) 34.325 40.128 ( 34.783 20.082 -40.473) 57.019 ======================= Grid point 483 (149/189) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 3.965 2.289 7.576) 8.852 2.274 ( 2.773 1.601 32.269) 32.428 2.707 ( 0.732 0.423 3.782) 3.876 2.830 ( 7.090 4.094 1.594) 8.341 3.479 ( 8.193 4.730 6.008) 11.207 3.964 ( 15.401 8.892 -6.675) 18.995 4.220 ( 6.121 3.534 17.385) 18.767 4.854 ( 14.317 8.266 -5.963) 17.575 5.292 ( 14.004 8.085 -4.525) 16.791 5.442 ( 18.683 10.786 -12.179) 24.773 6.335 ( 12.862 7.426 -16.012) 21.840 7.139 ( 16.349 9.439 7.916) 20.470 7.930 ( 8.016 4.628 -12.493) 15.548 8.754 ( 14.823 8.558 3.528) 17.476 9.158 ( 12.199 7.043 4.553) 14.804 9.362 ( 10.725 6.192 4.553) 13.195 11.051 ( 6.003 3.466 -2.540) 7.383 13.293 ( -6.224 -3.593 1.799) 7.408 13.952 ( -18.705 -10.799 -1.088) 21.626 14.086 ( -16.523 -9.539 1.304) 19.123 15.121 ( 4.327 2.498 7.363) 8.898 15.303 ( -8.873 -5.123 -8.217) 13.134 18.565 ( -10.273 -5.931 0.983) 11.903 21.120 ( -1.506 -0.870 0.133) 1.745 21.260 ( -1.198 -0.692 0.178) 1.395 21.378 ( 0.159 0.092 1.498) 1.509 21.559 ( 0.585 0.338 -2.305) 2.402 21.691 ( -2.161 -1.248 -3.279) 4.121 22.683 ( -2.255 -1.302 0.823) 2.730 30.379 ( 3.002 1.733 -0.366) 3.485 30.587 ( 3.144 1.815 -4.466) 5.755 32.680 ( -16.420 -9.480 7.889) 20.536 38.063 ( 3.042 1.756 -0.895) 3.625 38.446 ( 6.192 3.575 1.081) 7.232 39.737 ( 26.334 15.204 12.453) 32.859 40.550 ( 14.925 8.617 -27.442) 32.404 ======================= Grid point 484 (150/189) ======================= q-point: ( 0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -5.530 -3.193 5.964) 8.737 2.369 ( -2.517 -1.453 14.914) 15.195 2.569 ( -8.203 -4.736 9.213) 13.214 3.077 ( 8.980 5.184 6.978) 12.498 3.480 ( -4.140 -2.390 -0.052) 4.781 4.192 ( 6.032 3.483 -9.774) 12.002 4.394 ( 3.421 1.975 -4.416) 5.925 5.173 ( 15.030 8.677 6.321) 18.470 5.354 ( 2.978 1.719 1.767) 3.866 6.051 ( 24.681 14.249 -2.848) 28.641 6.604 ( 15.170 8.758 -15.761) 23.563 7.605 ( 16.726 9.657 10.244) 21.863 8.130 ( 14.782 8.535 -10.224) 19.897 9.041 ( 10.118 5.842 3.299) 12.140 9.455 ( 13.325 7.693 -1.437) 15.454 9.676 ( 14.221 8.211 4.697) 17.080 11.210 ( 8.002 4.620 -0.178) 9.242 13.140 ( -8.725 -5.037 -0.953) 10.120 13.516 ( -17.989 -10.386 -0.085) 20.772 13.707 ( -15.602 -9.008 0.362) 18.019 15.016 ( -13.438 -7.759 -4.631) 16.194 15.204 ( 0.673 0.388 7.663) 7.702 18.371 ( -7.225 -4.171 1.598) 8.494 21.101 ( -0.155 -0.089 -2.029) 2.037 21.233 ( -1.300 -0.751 0.416) 1.558 21.402 ( 1.259 0.727 1.888) 2.383 21.516 ( -2.215 -1.279 -7.215) 7.655 21.665 ( -0.044 -0.026 0.631) 0.633 22.632 ( -2.364 -1.365 2.598) 3.768 30.481 ( 5.504 3.178 0.799) 6.405 30.658 ( 3.976 2.295 -3.923) 6.039 32.380 ( -11.962 -6.906 3.898) 14.352 38.125 ( 2.560 1.478 -0.667) 3.031 38.581 ( 5.143 2.969 0.783) 5.990 40.309 ( 20.374 11.763 10.921) 25.937 40.676 ( 3.927 2.267 -16.989) 17.583 ======================= Grid point 485 (151/189) ======================= q-point: ( 0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -4.678 -2.701 -1.302) 5.556 2.290 ( -5.579 -3.221 0.339) 6.451 2.458 ( -6.772 -3.910 23.987) 25.229 3.229 ( -0.261 -0.151 10.610) 10.615 3.426 ( 3.073 1.774 -9.435) 10.081 4.153 ( -3.678 -2.123 -20.509) 20.944 4.422 ( 2.087 1.205 -4.949) 5.504 5.264 ( -3.749 -2.165 14.161) 14.808 5.684 ( 15.267 8.815 11.714) 21.166 6.486 ( 15.201 8.777 -5.193) 18.305 6.878 ( 12.826 7.405 -13.365) 19.949 7.818 ( 0.901 0.520 8.667) 8.729 8.478 ( 13.529 7.811 -4.762) 16.332 9.290 ( 11.719 6.766 -1.544) 13.620 9.662 ( 3.795 2.191 -6.205) 7.597 10.025 ( 15.146 8.745 4.642) 18.095 11.364 ( 3.550 2.050 4.980) 6.450 12.862 ( -12.643 -7.299 -2.630) 14.834 13.195 ( -10.276 -5.933 1.453) 11.955 13.468 ( -5.254 -3.034 -1.738) 6.311 14.712 ( -10.992 -6.346 -0.710) 12.712 15.227 ( 0.098 0.057 4.052) 4.054 18.246 ( -4.570 -2.639 2.841) 5.994 21.088 ( -0.262 -0.151 -4.607) 4.617 21.206 ( -1.072 -0.619 1.006) 1.595 21.405 ( -1.742 -1.006 -4.625) 5.044 21.482 ( 1.765 1.019 -0.122) 2.042 21.672 ( 0.269 0.155 0.535) 0.618 22.607 ( -0.687 -0.396 4.322) 4.394 30.610 ( 5.177 2.989 0.811) 6.032 30.720 ( 2.024 1.168 -2.206) 3.213 32.172 ( -7.031 -4.059 1.691) 8.293 38.172 ( 1.699 0.981 -0.187) 1.971 38.672 ( 2.626 1.516 0.235) 3.041 40.620 ( -1.357 -0.783 -13.888) 13.976 40.750 ( 12.841 7.414 11.406) 18.707 ======================= Grid point 486 (152/189) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 3.198 1.846 -10.411) 11.047 2.169 ( -4.823 -2.785 6.281) 8.395 2.410 ( -4.112 -2.374 17.980) 18.596 3.158 ( -6.474 -3.738 7.325) 10.466 3.524 ( 5.313 3.068 -3.724) 7.177 3.976 ( -4.869 -2.811 -17.713) 18.584 4.449 ( 1.894 1.094 -6.159) 6.535 5.213 ( -5.029 -2.903 14.628) 15.739 5.968 ( 6.262 3.615 8.617) 11.249 6.680 ( 2.323 1.341 -4.236) 5.014 7.075 ( 8.002 4.620 -10.274) 13.818 7.789 ( -4.829 -2.788 7.825) 9.608 8.629 ( 1.398 0.807 -1.437) 2.162 9.439 ( -2.618 -1.512 -4.690) 5.580 9.588 ( -4.779 -2.759 -8.573) 10.196 10.277 ( 1.243 0.718 5.170) 5.366 11.403 ( 0.255 0.147 6.976) 6.982 12.709 ( 1.782 1.029 -2.352) 3.125 13.093 ( 0.784 0.453 1.871) 2.079 13.375 ( -2.895 -1.671 -3.738) 5.014 14.583 ( 0.150 0.087 1.016) 1.031 15.263 ( 2.681 1.548 2.513) 3.988 18.181 ( -2.120 -1.224 3.345) 4.145 21.055 ( -0.754 -0.435 -5.456) 5.525 21.201 ( 0.264 0.153 0.957) 1.004 21.346 ( -1.639 -0.946 -4.132) 4.545 21.533 ( 1.661 0.959 0.452) 1.970 21.680 ( 0.595 0.343 0.058) 0.689 22.632 ( 1.392 0.804 4.885) 5.143 30.695 ( 0.603 0.348 0.032) 0.697 30.728 ( 0.494 0.285 -0.758) 0.949 32.085 ( -0.925 -0.534 0.967) 1.441 38.197 ( 0.397 0.229 0.069) 0.463 38.698 ( -0.407 -0.235 -0.051) 0.473 40.465 ( -8.108 -4.681 -7.460) 11.971 41.041 ( 9.577 5.529 5.862) 12.516 ======================= Grid point 493 (153/189) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 0.000 42.759 0.156) 42.759 1.444 ( 0.000 47.966 6.288) 48.376 1.562 ( -0.000 28.013 23.679) 36.680 2.565 ( -0.000 26.895 32.773) 42.396 2.742 ( -0.000 7.704 43.937) 44.607 3.140 ( 0.000 10.494 -9.030) 13.844 3.726 ( 0.000 10.432 -10.809) 15.022 4.423 ( -0.000 6.021 9.822) 11.521 4.902 ( -0.000 -6.606 7.000) 9.624 5.321 ( 0.000 -2.556 -31.899) 32.002 6.110 ( 0.000 -7.799 -7.813) 11.040 6.924 ( 0.000 8.902 -3.203) 9.460 7.671 ( 0.000 1.023 -20.401) 20.427 8.076 ( 0.000 11.409 -1.546) 11.513 8.699 ( -0.000 6.896 11.965) 13.810 9.008 ( 0.000 6.677 1.864) 6.933 10.919 ( -0.000 0.883 0.378) 0.960 13.690 ( -0.000 -19.604 9.352) 21.720 14.519 ( -0.000 -8.229 0.022) 8.229 14.640 ( -0.000 -6.708 0.141) 6.710 14.750 ( 0.000 5.643 1.204) 5.770 15.225 ( 0.000 34.482 -19.729) 39.727 19.093 ( -0.000 -12.103 5.154) 13.155 21.296 ( -0.000 -4.936 1.128) 5.063 21.328 ( 0.000 -0.288 -0.438) 0.524 21.433 ( -0.000 -2.574 0.134) 2.578 21.450 ( -0.000 -1.695 2.419) 2.954 21.782 ( 0.000 -3.136 -4.421) 5.420 22.646 ( 0.000 5.097 0.991) 5.193 30.393 ( 0.000 -2.499 -1.631) 2.984 30.648 ( -0.000 -6.526 0.621) 6.556 33.764 ( -0.000 -41.397 16.214) 44.459 37.910 ( 0.000 1.797 0.365) 1.834 38.233 ( 0.000 5.574 -0.597) 5.606 38.418 ( 0.000 21.922 1.969) 22.011 39.048 ( 0.000 74.015 -34.033) 81.464 ======================= Grid point 494 (154/189) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 13.074 28.062 6.221) 31.577 1.988 ( 22.489 12.515 24.253) 35.364 2.228 ( 17.478 38.321 7.695) 42.816 2.769 ( -3.895 5.970 22.052) 23.176 3.104 ( 5.749 24.916 -5.265) 26.107 3.452 ( 17.115 17.513 25.852) 35.608 3.894 ( 9.845 14.703 -1.829) 17.789 4.459 ( -5.097 6.526 3.897) 9.152 4.913 ( 4.456 -1.693 5.004) 6.911 5.221 ( 4.956 -1.978 -31.432) 31.882 6.061 ( 3.751 1.675 -11.994) 12.677 6.977 ( -3.689 9.473 1.873) 10.337 7.689 ( 6.377 4.053 -17.224) 18.809 8.277 ( 8.719 14.256 0.416) 16.716 8.851 ( 5.605 6.292 10.328) 13.329 9.124 ( 3.926 7.178 1.112) 8.256 10.942 ( 1.206 2.349 -0.997) 2.823 13.506 ( -5.315 -10.902 7.034) 14.021 14.384 ( -5.111 -12.040 -0.134) 13.080 14.480 ( -7.381 -10.901 0.205) 13.167 14.896 ( 7.123 5.746 4.460) 10.181 15.444 ( -0.112 17.493 -18.404) 25.391 18.898 ( -7.932 -14.157 3.429) 16.586 21.230 ( -3.102 -3.181 2.181) 4.949 21.283 ( -2.153 -2.962 -0.816) 3.751 21.395 ( -0.920 -1.987 0.683) 2.294 21.472 ( 2.738 -1.362 1.364) 3.348 21.765 ( 1.141 -0.266 -3.682) 3.864 22.701 ( 0.585 2.297 0.039) 2.370 30.357 ( -0.721 -1.016 -1.770) 2.164 30.571 ( -1.712 -3.069 -1.162) 3.702 33.293 ( -16.154 -26.524 13.532) 33.876 37.970 ( 3.160 2.809 0.016) 4.228 38.294 ( 1.860 6.093 0.031) 6.370 38.870 ( 19.425 25.093 8.203) 32.776 39.789 ( 22.208 45.489 -37.583) 63.047 ======================= Grid point 495 (155/189) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 8.382 10.184 9.797) 16.430 2.423 ( 4.694 9.509 30.331) 32.131 2.786 ( 2.061 5.460 -2.200) 6.237 2.846 ( 5.561 26.188 4.533) 27.153 3.437 ( 8.351 16.121 8.849) 20.198 3.801 ( 11.444 6.165 -0.761) 13.021 4.260 ( 0.637 4.223 18.125) 18.621 4.621 ( 18.884 14.254 -13.011) 27.001 5.041 ( 12.286 0.699 1.856) 12.445 5.299 ( 10.759 12.516 -18.995) 25.164 6.209 ( 9.807 12.909 -12.773) 20.639 7.064 ( 4.346 9.180 4.834) 11.248 7.810 ( 7.127 6.092 -11.915) 15.161 8.613 ( 13.094 12.071 2.482) 17.981 9.094 ( 9.726 10.558 6.753) 15.864 9.274 ( 6.237 5.656 1.967) 8.646 11.010 ( 3.390 5.304 -2.122) 6.643 13.351 ( -5.173 -6.600 2.808) 8.844 14.096 ( -12.981 -14.642 -0.724) 19.582 14.198 ( -10.850 -14.882 0.610) 18.427 15.079 ( 6.138 2.767 5.624) 8.773 15.430 ( -8.131 5.762 -9.029) 13.448 18.620 ( -8.342 -14.026 1.093) 16.356 21.151 ( -3.596 -1.989 0.801) 4.187 21.232 ( 0.495 -3.909 -0.048) 3.941 21.382 ( 0.549 -0.892 1.866) 2.140 21.494 ( 1.772 -2.715 -1.870) 3.742 21.774 ( -1.902 5.170 -2.288) 5.965 22.695 ( -1.309 -1.683 -0.139) 2.137 30.359 ( 1.380 2.017 -0.854) 2.589 30.550 ( 1.339 1.072 -3.144) 3.581 32.855 ( -14.910 -16.555 8.003) 23.673 38.054 ( 2.411 4.716 -0.593) 5.330 38.418 ( 4.371 7.415 0.701) 8.636 39.513 ( 23.654 20.008 12.477) 33.399 40.315 ( 15.306 20.615 -28.852) 38.623 ======================= Grid point 496 (156/189) ======================= q-point: ( 0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( -2.641 0.915 9.068) 9.489 2.551 ( -9.514 9.005 10.293) 16.660 2.806 ( -4.071 6.311 9.224) 11.895 3.103 ( -2.314 18.848 8.004) 20.608 3.570 ( -4.596 0.116 2.018) 5.021 4.115 ( 10.005 12.431 -7.108) 17.468 4.315 ( 3.106 -0.750 -0.250) 3.205 4.983 ( 19.323 10.714 -2.975) 22.294 5.270 ( 10.683 -0.563 -2.334) 10.950 5.744 ( 22.288 16.790 -0.301) 27.906 6.507 ( 9.760 19.707 -12.384) 25.239 7.394 ( 19.973 9.919 6.663) 23.274 7.962 ( 8.925 5.594 -7.825) 13.122 8.919 ( 10.720 5.864 3.005) 12.584 9.376 ( 7.542 12.598 -0.835) 14.707 9.512 ( 14.155 5.806 4.478) 15.941 11.146 ( 5.639 6.964 -1.065) 9.024 13.209 ( -5.887 -5.513 0.037) 8.065 13.685 ( -16.308 -15.101 -0.451) 22.231 13.839 ( -13.121 -15.132 0.154) 20.029 15.145 ( -3.437 -0.287 -4.880) 5.975 15.286 ( -8.731 1.840 7.747) 11.817 18.373 ( -4.514 -13.858 0.325) 14.578 21.082 ( -1.130 -3.803 -1.245) 4.158 21.217 ( 0.857 -1.951 0.548) 2.200 21.398 ( 0.984 -1.693 2.664) 3.306 21.469 ( 0.048 -1.309 -4.741) 4.918 21.784 ( -4.399 8.743 -1.138) 9.854 22.644 ( -1.246 -3.561 1.235) 3.970 30.439 ( 4.026 4.308 0.661) 5.934 30.604 ( 3.567 2.727 -3.650) 5.787 32.512 ( -11.992 -11.390 4.099) 17.039 38.137 ( 1.119 6.362 -0.664) 6.494 38.574 ( 3.751 8.818 0.791) 9.615 40.100 ( 21.238 12.263 11.192) 26.957 40.547 ( 7.308 6.114 -18.157) 20.505 ======================= Grid point 497 (157/189) ======================= q-point: ( 0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( -8.902 3.294 1.381) 9.591 2.433 ( -11.563 4.987 -0.367) 12.598 2.792 ( -13.949 11.183 20.300) 27.051 3.271 ( 1.752 8.578 11.184) 14.203 3.441 ( -6.158 -1.269 -4.379) 7.662 4.202 ( -6.000 10.269 -21.553) 24.617 4.354 ( 4.375 -0.632 -3.020) 5.353 5.328 ( 3.018 1.186 5.346) 6.252 5.541 ( 18.789 11.924 11.420) 25.012 6.234 ( 19.875 10.456 -2.650) 22.614 6.803 ( 7.337 18.413 -11.035) 22.685 7.773 ( 9.019 1.270 7.310) 11.679 8.256 ( 20.668 9.815 -6.296) 23.731 9.121 ( 9.329 1.590 0.665) 9.487 9.605 ( 6.397 6.567 -3.636) 9.862 9.827 ( 15.806 4.788 2.611) 16.721 11.289 ( 5.076 -0.435 2.886) 5.855 12.987 ( -11.889 -9.442 -1.800) 15.289 13.320 ( -11.267 -8.780 0.782) 14.305 13.536 ( -7.598 -6.131 -0.956) 9.810 14.932 ( -15.883 1.946 -3.214) 16.321 15.258 ( -1.721 -0.102 7.150) 7.355 18.203 ( -0.010 -13.758 1.194) 13.810 21.025 ( 1.003 -6.035 -3.617) 7.107 21.220 ( 0.137 -0.073 0.693) 0.710 21.363 ( -0.594 -4.856 -1.428) 5.097 21.485 ( 0.775 3.500 -0.286) 3.596 21.789 ( -5.137 9.932 -1.222) 11.249 22.607 ( 0.264 -3.296 3.119) 4.545 30.565 ( 4.701 4.447 1.335) 6.607 30.681 ( 3.362 2.272 -2.817) 4.940 32.254 ( -8.391 -7.627 1.866) 11.492 38.209 ( -0.539 7.412 -0.282) 7.437 38.707 ( 0.689 9.546 0.414) 9.579 40.511 ( 10.589 4.217 -7.846) 13.838 40.619 ( 8.460 -1.439 5.074) 9.969 ======================= Grid point 498 (158/189) ======================= q-point: ( 0.75 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( -7.985 7.995 -8.735) 14.282 2.303 ( -8.766 5.405 -0.238) 10.301 2.725 ( -15.031 12.332 21.195) 28.762 3.270 ( -7.510 -2.563 10.448) 13.120 3.458 ( 5.032 4.408 -0.961) 6.759 4.074 ( -10.230 9.889 -21.269) 25.589 4.405 ( 2.737 2.084 -6.144) 7.042 5.337 ( -4.066 0.017 9.512) 10.345 5.933 ( 8.748 8.538 10.964) 16.421 6.581 ( 10.417 7.065 -4.345) 13.316 7.030 ( 4.573 13.634 -7.276) 16.116 7.822 ( -0.847 -4.744 5.133) 7.041 8.612 ( 7.650 8.763 -2.368) 11.870 9.316 ( 13.261 -0.714 -3.339) 13.694 9.577 ( -6.655 -8.495 -6.842) 12.777 10.175 ( 15.281 3.120 4.000) 16.101 11.286 ( 3.743 -15.711 5.674) 17.119 12.723 ( -6.014 -4.514 -2.199) 7.835 13.163 ( -3.816 2.574 1.826) 4.951 13.422 ( -4.669 0.051 -2.966) 5.532 14.722 ( -11.391 7.000 0.580) 13.383 15.262 ( 0.137 1.104 2.949) 3.152 18.107 ( 3.359 -12.908 2.346) 13.542 20.974 ( 2.629 -7.271 -5.216) 9.327 21.222 ( -0.798 1.061 1.049) 1.692 21.305 ( -0.312 -3.776 -1.630) 4.124 21.532 ( 0.495 2.947 1.027) 3.159 21.798 ( -4.979 10.519 -1.869) 11.787 22.613 ( 2.037 -2.194 4.035) 5.024 30.674 ( 3.083 2.875 0.591) 4.257 30.724 ( 0.656 0.476 -1.223) 1.468 32.102 ( -3.141 -3.724 0.872) 4.949 38.257 ( -2.504 7.522 0.055) 7.927 38.777 ( -3.381 9.058 0.068) 9.669 40.469 ( -2.535 -6.193 -9.139) 11.327 40.885 ( 13.805 -0.887 7.627) 15.796 ======================= Grid point 506 (159/189) ======================= q-point: ( 0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 0.000 24.887 3.831) 25.180 1.932 ( -0.000 11.718 21.863) 24.805 2.482 ( 0.000 36.023 7.180) 36.732 2.899 ( -0.000 1.406 4.593) 4.803 3.369 ( -0.000 22.746 17.974) 28.991 3.564 ( -0.000 22.070 10.927) 24.627 3.978 ( 0.000 22.826 1.228) 22.859 4.657 ( 0.000 11.904 2.759) 12.220 4.867 ( -0.000 2.153 5.924) 6.303 5.017 ( 0.000 -3.676 -27.345) 27.591 6.019 ( 0.000 7.284 -12.847) 14.768 7.147 ( 0.000 12.805 -0.417) 12.812 7.613 ( 0.000 6.435 -13.457) 14.917 8.368 ( 0.000 18.120 1.006) 18.147 8.891 ( -0.000 5.379 9.624) 11.025 9.185 ( 0.000 10.193 1.381) 10.286 10.954 ( 0.000 3.483 -1.455) 3.775 13.457 ( -0.000 -11.218 5.540) 12.511 14.285 ( -0.000 -15.601 0.344) 15.604 14.434 ( -0.000 -14.182 0.259) 14.185 14.901 ( -0.000 5.870 4.666) 7.499 15.560 ( 0.000 14.451 -18.409) 23.404 18.827 ( -0.000 -16.520 3.150) 16.818 21.202 ( -0.000 -5.149 0.803) 5.211 21.307 ( 0.000 -1.228 -1.113) 1.658 21.383 ( -0.000 -2.706 1.684) 3.187 21.438 ( -0.000 -1.581 2.702) 3.130 21.719 ( 0.000 -0.483 -2.702) 2.745 22.728 ( 0.000 2.613 -0.579) 2.676 30.349 ( 0.000 0.044 -1.696) 1.696 30.550 ( 0.000 -2.501 -1.343) 2.838 33.187 ( -0.000 -28.198 9.973) 29.910 37.965 ( 0.000 3.393 0.389) 3.415 38.344 ( 0.000 6.357 -0.315) 6.365 39.018 ( -0.000 31.708 10.484) 33.396 39.967 ( 0.000 45.017 -32.718) 55.651 ======================= Grid point 507 (160/189) ======================= q-point: ( 0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 5.060 5.715 15.000) 16.831 2.363 ( 20.959 12.105 10.416) 26.350 2.867 ( -0.121 8.262 -0.830) 8.304 2.949 ( 8.381 22.659 12.600) 27.248 3.615 ( 9.594 5.235 3.688) 11.535 3.733 ( -8.332 18.131 4.515) 20.458 4.284 ( 8.844 7.387 5.329) 12.696 4.656 ( -8.683 16.950 -9.425) 21.249 4.934 ( 3.434 4.366 1.081) 5.659 5.186 ( 13.879 20.112 -6.736) 25.347 6.149 ( 7.826 14.976 -10.907) 20.112 7.200 ( -5.289 12.861 -2.335) 14.100 7.731 ( 6.434 9.320 -8.078) 13.911 8.605 ( 5.242 16.947 2.737) 17.949 9.050 ( 8.362 7.759 8.195) 14.046 9.305 ( 0.853 10.648 1.142) 10.743 11.013 ( 2.282 6.440 -2.203) 7.178 13.351 ( -2.435 -8.494 2.775) 9.261 14.081 ( -4.761 -18.616 0.085) 19.216 14.203 ( -8.158 -17.300 0.315) 19.130 15.018 ( 5.609 1.876 5.596) 8.142 15.567 ( -4.186 5.975 -13.156) 15.044 18.610 ( -7.179 -15.626 1.913) 17.303 21.157 ( -0.237 -5.410 0.472) 5.436 21.235 ( -4.430 -1.023 -0.211) 4.551 21.364 ( 0.150 -2.239 3.306) 3.995 21.451 ( 1.270 -0.651 -0.435) 1.492 21.771 ( 5.199 1.826 -1.726) 5.774 22.717 ( -2.586 -0.151 -1.317) 2.906 30.362 ( 0.761 2.969 -1.087) 3.252 30.536 ( 0.463 0.773 -2.116) 2.300 32.889 ( -7.913 -21.378 6.018) 23.577 38.042 ( 3.963 4.261 0.079) 5.820 38.433 ( 3.018 7.794 -0.108) 8.358 39.472 ( 12.023 26.277 13.580) 31.929 40.293 ( 5.103 28.831 -26.434) 39.446 ======================= Grid point 508 (161/189) ======================= q-point: ( 0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 2.674 -2.467 13.745) 14.218 2.742 ( 7.941 -0.863 0.578) 8.008 2.881 ( -3.434 14.723 11.785) 19.169 3.420 ( 7.592 16.930 -0.614) 18.564 3.665 ( -9.228 6.507 8.970) 14.421 3.905 ( 16.583 4.015 -7.614) 18.684 4.413 ( 1.453 4.279 9.031) 10.099 4.750 ( 8.026 15.098 -15.605) 23.149 5.094 ( 7.398 8.096 -0.257) 10.970 5.667 ( 14.143 25.220 0.851) 28.927 6.482 ( 13.230 19.878 -7.440) 25.010 7.300 ( 4.046 13.950 0.343) 14.529 7.886 ( 4.542 6.740 -4.790) 9.434 8.853 ( 6.831 10.130 3.105) 12.606 9.367 ( 12.783 8.666 5.158) 16.282 9.421 ( 1.502 11.939 0.022) 12.033 11.138 ( 3.922 8.527 -1.891) 9.574 13.231 ( -3.713 -6.943 0.581) 7.895 13.755 ( -11.125 -19.040 -0.420) 22.056 13.865 ( -9.858 -18.129 0.352) 20.639 15.122 ( 3.679 -1.118 2.818) 4.767 15.473 ( -6.981 1.693 -3.695) 8.078 18.323 ( -8.187 -15.550 0.433) 17.579 21.065 ( -2.953 -6.436 -0.022) 7.081 21.199 ( -0.037 0.109 0.452) 0.466 21.364 ( 0.629 -2.931 3.609) 4.691 21.458 ( 0.551 1.598 -3.210) 3.628 21.880 ( 3.072 5.550 -0.686) 6.380 22.641 ( -3.287 -3.097 -1.013) 4.628 30.432 ( 2.670 5.515 0.204) 6.131 30.570 ( 2.239 2.922 -2.525) 4.464 32.576 ( -9.182 -15.265 3.057) 18.075 38.165 ( 3.968 6.504 -0.316) 7.626 38.596 ( 5.409 10.021 0.263) 11.390 39.961 ( 14.664 15.659 13.110) 25.142 40.485 ( 2.404 13.015 -18.640) 22.861 ======================= Grid point 509 (162/189) ======================= q-point: ( 0.67 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -2.291 -2.780 6.046) 7.038 2.687 ( -8.617 2.831 -2.840) 9.504 3.064 ( -0.143 7.907 17.377) 19.092 3.437 ( -4.677 1.736 -15.256) 16.051 3.614 ( -12.836 9.922 18.263) 24.429 4.150 ( 10.940 -2.542 -9.505) 14.714 4.512 ( -9.144 24.031 -5.412) 26.275 5.101 ( 22.538 -1.461 -1.372) 22.627 5.397 ( 15.547 18.038 2.025) 23.899 6.123 ( 12.643 21.266 2.966) 24.918 6.851 ( 7.982 20.659 -6.856) 23.185 7.618 ( 14.647 10.312 3.482) 18.249 8.013 ( 9.938 2.846 -3.514) 10.918 9.051 ( 5.278 6.668 1.255) 8.596 9.516 ( 6.611 2.337 0.238) 7.015 9.691 ( 8.016 8.237 0.493) 11.504 11.242 ( 1.070 0.309 0.464) 1.206 13.055 ( -8.220 -10.802 -0.651) 13.589 13.398 ( -9.837 -12.537 0.008) 15.935 13.578 ( -6.089 -8.854 -0.241) 10.748 15.127 ( -3.486 1.644 -2.855) 4.796 15.362 ( -6.940 0.323 5.138) 8.641 18.059 ( -3.499 -17.189 -0.081) 17.542 20.950 ( -1.900 -7.857 -1.146) 8.165 21.213 ( 0.749 0.571 0.339) 1.001 21.335 ( -0.839 -3.211 0.414) 3.345 21.500 ( 1.686 3.910 -0.827) 4.338 21.961 ( -2.010 9.247 -0.619) 9.483 22.565 ( -0.336 -4.753 0.640) 4.807 30.549 ( 3.681 5.869 1.330) 7.054 30.640 ( 3.125 3.001 -2.436) 4.970 32.310 ( -7.847 -10.665 1.338) 13.308 38.292 ( 1.795 9.217 -0.242) 9.394 38.793 ( 3.765 12.734 0.336) 13.284 40.345 ( 13.151 6.445 6.413) 15.988 40.514 ( 0.484 -0.340 -8.487) 8.508 ======================= Grid point 510 (163/189) ======================= q-point: ( 0.75 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -5.284 0.091 -4.768) 7.118 2.553 ( -10.573 6.854 -1.394) 12.677 3.100 ( -8.655 3.499 15.662) 18.233 3.356 ( 0.681 -0.462 -10.078) 10.112 3.567 ( -10.854 8.423 22.611) 26.458 4.203 ( 2.705 0.754 -15.005) 15.266 4.521 ( -12.465 23.360 -10.347) 28.428 5.324 ( 7.789 -2.494 0.128) 8.180 5.902 ( 14.738 16.875 10.603) 24.787 6.532 ( 9.126 20.938 -1.447) 22.886 7.105 ( 3.062 16.414 -2.322) 16.858 7.793 ( 0.086 -0.775 2.134) 2.272 8.397 ( 26.683 7.125 -3.416) 27.829 9.154 ( 2.148 2.756 -1.815) 3.937 9.588 ( -3.925 -6.276 -2.136) 7.704 9.886 ( 17.747 -0.723 1.330) 17.811 11.123 ( -4.463 -19.618 3.145) 20.363 12.780 ( -8.551 -9.315 -1.377) 12.720 13.234 ( -2.423 -0.018 0.860) 2.571 13.487 ( -2.419 1.279 -1.231) 3.001 15.031 ( -11.812 9.087 -1.600) 14.989 15.299 ( -2.500 0.274 4.314) 4.994 17.881 ( 3.266 -18.394 0.525) 18.689 20.845 ( 0.339 -8.920 -2.636) 9.307 21.232 ( 0.569 0.643 0.162) 0.874 21.292 ( -1.153 -1.904 -0.057) 2.226 21.564 ( 0.773 3.888 0.623) 4.013 21.992 ( -5.191 11.013 -1.502) 12.267 22.548 ( 2.788 -4.372 2.168) 5.620 30.661 ( 2.783 4.091 1.347) 5.128 30.705 ( 2.170 1.745 -1.729) 3.277 32.121 ( -4.529 -6.427 0.555) 7.882 38.394 ( -1.566 10.835 0.047) 10.948 38.952 ( -1.637 14.838 0.246) 14.930 40.405 ( -1.953 -4.941 -10.350) 11.634 40.639 ( 13.863 -4.908 9.228) 17.362 ======================= Grid point 519 (164/189) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -0.000 -3.070 16.308) 16.595 2.251 ( -0.000 7.005 3.425) 7.797 2.930 ( 0.000 9.737 0.598) 9.755 3.109 ( -0.000 12.014 4.795) 12.935 3.545 ( -0.000 -0.847 8.748) 8.789 3.951 ( 0.000 5.396 -7.607) 9.327 4.265 ( 0.000 1.262 -0.969) 1.591 4.910 ( 0.000 18.823 -7.488) 20.258 5.056 ( 0.000 20.574 3.913) 20.943 5.291 ( 0.000 30.737 7.094) 31.545 6.191 ( 0.000 16.318 -10.937) 19.644 7.397 ( 0.000 18.017 -7.386) 19.472 7.753 ( 0.000 11.559 -2.553) 11.838 8.765 ( 0.000 19.461 2.506) 19.622 9.063 ( -0.000 6.655 9.012) 11.203 9.429 ( 0.000 13.712 1.268) 13.770 11.055 ( 0.000 8.630 -2.652) 9.028 13.294 ( -0.000 -8.337 1.679) 8.504 13.923 ( -0.000 -21.066 0.528) 21.073 14.099 ( -0.000 -19.856 0.445) 19.861 14.986 ( -0.000 -1.743 5.809) 6.064 15.581 ( 0.000 0.204 -14.389) 14.391 18.549 ( -0.000 -12.639 2.397) 12.864 21.110 ( -0.000 -4.514 0.681) 4.565 21.274 ( 0.000 -1.272 -0.744) 1.474 21.367 ( -0.000 -1.326 4.468) 4.660 21.424 ( -0.000 -0.697 0.482) 0.847 21.706 ( 0.000 0.222 -2.003) 2.015 22.739 ( 0.000 -0.248 -2.164) 2.178 30.389 ( 0.000 4.917 -0.988) 5.015 30.538 ( 0.000 2.100 -1.467) 2.562 32.760 ( -0.000 -20.540 3.363) 20.814 38.041 ( 0.000 3.935 0.291) 3.946 38.472 ( 0.000 6.694 -0.302) 6.700 39.694 ( -0.000 26.354 14.831) 30.241 40.453 ( 0.000 25.601 -22.172) 33.868 ======================= Grid point 520 (165/189) ======================= q-point: ( 0.58 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 4.945 -5.845 14.125) 16.067 2.481 ( 17.339 -3.032 2.646) 17.800 3.059 ( 1.273 10.548 2.177) 10.845 3.265 ( 13.420 1.766 -8.852) 16.173 3.617 ( 4.821 -0.785 8.116) 9.473 3.948 ( 2.398 1.014 -6.053) 6.590 4.264 ( 1.998 -1.685 2.113) 3.361 5.025 ( -6.450 20.973 1.706) 22.009 5.232 ( -4.886 24.542 -4.227) 25.379 5.728 ( 9.728 27.707 3.939) 29.628 6.417 ( 11.313 16.489 -5.824) 20.828 7.506 ( -6.054 22.053 -4.352) 23.279 7.900 ( 3.021 10.407 -1.795) 10.985 8.920 ( -0.624 11.846 3.000) 12.235 9.288 ( 10.254 11.588 6.958) 16.966 9.555 ( -1.800 13.997 0.347) 14.116 11.166 ( 2.465 10.437 -2.762) 11.074 13.203 ( -1.675 -8.519 0.588) 8.702 13.681 ( -4.135 -20.899 -0.073) 21.305 13.831 ( -7.027 -19.820 0.847) 21.046 15.024 ( 5.639 -5.096 5.174) 9.194 15.501 ( -1.358 -3.575 -10.717) 11.378 18.360 ( -9.473 -10.594 1.620) 14.304 21.054 ( -2.338 -5.085 1.216) 5.727 21.225 ( -2.438 -0.056 -0.149) 2.443 21.355 ( -0.666 -1.996 4.869) 5.304 21.451 ( 1.477 1.690 -1.813) 2.885 21.786 ( 8.636 0.468 -1.079) 8.716 22.686 ( -4.101 -1.318 -2.524) 4.993 30.456 ( 1.502 6.629 -0.611) 6.825 30.570 ( 0.879 3.581 -0.811) 3.776 32.542 ( -4.411 -16.577 1.371) 17.209 38.129 ( 5.281 4.416 0.045) 6.884 38.584 ( 5.461 7.417 -0.173) 9.212 40.019 ( 4.654 18.523 14.628) 24.057 40.580 ( -2.326 16.627 -17.379) 24.164 ======================= Grid point 521 (166/189) ======================= q-point: ( 0.67 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 2.120 -5.771 8.952) 10.859 2.664 ( 8.159 -5.836 0.795) 10.063 3.185 ( 1.151 8.910 3.395) 9.604 3.364 ( 2.773 -7.420 -10.166) 12.888 3.784 ( 13.525 -2.325 -11.924) 18.180 4.013 ( -3.202 6.729 14.131) 15.976 4.466 ( 25.411 -0.493 3.733) 25.688 5.088 ( -10.389 17.862 1.360) 20.708 5.440 ( 3.889 27.798 -6.249) 28.756 6.141 ( 11.535 21.490 -0.001) 24.390 6.819 ( 15.596 16.912 -1.073) 23.030 7.639 ( 0.165 18.292 -0.430) 18.297 7.999 ( -2.138 9.099 -0.870) 9.387 9.045 ( 3.865 7.087 2.385) 8.417 9.513 ( 0.491 7.205 1.009) 7.292 9.685 ( 2.959 10.240 1.511) 10.766 11.255 ( -1.391 2.217 -1.927) 3.250 13.050 ( -4.976 -12.984 0.311) 13.908 13.401 ( -6.227 -14.554 -0.528) 15.839 13.572 ( -4.077 -9.945 0.780) 10.777 15.096 ( 5.734 -3.165 2.963) 7.189 15.415 ( -0.768 -4.241 -4.971) 6.579 18.056 ( -12.901 -11.507 0.428) 17.292 20.938 ( -4.794 -6.413 1.280) 8.109 21.214 ( 0.034 0.921 0.115) 0.929 21.328 ( -1.156 -2.363 1.551) 3.054 21.502 ( 2.139 3.706 -0.980) 4.390 21.958 ( 9.070 2.541 -0.014) 9.419 22.578 ( -5.174 -1.954 -1.677) 5.780 30.559 ( 2.829 6.630 -0.248) 7.212 30.627 ( 1.541 3.735 -0.207) 4.045 32.315 ( -5.584 -12.154 0.326) 13.379 38.291 ( 7.116 6.238 -0.138) 9.464 38.795 ( 9.019 9.648 -0.065) 13.207 40.284 ( 5.461 7.683 12.824) 15.915 40.567 ( -6.583 7.166 -13.255) 16.443 ======================= Grid point 522 (167/189) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( -1.903 -3.296 -0.000) 3.806 2.686 ( -0.541 -0.938 -0.000) 1.083 3.235 ( -4.445 -7.700 0.000) 8.891 3.284 ( 1.976 3.423 -0.000) 3.952 3.865 ( 0.423 0.732 0.000) 0.846 4.053 ( 1.042 1.806 -0.000) 2.085 4.929 ( 7.776 13.469 -0.000) 15.553 5.081 ( 2.697 4.672 -0.000) 5.395 5.863 ( 14.794 25.625 -0.000) 29.589 6.585 ( 13.701 23.731 -0.000) 27.402 7.170 ( 6.785 11.752 0.000) 13.570 7.892 ( 8.292 14.362 -0.000) 16.583 8.035 ( 3.016 5.224 0.000) 6.032 9.189 ( 3.059 5.297 -0.000) 6.117 9.559 ( 2.080 3.603 -0.000) 4.161 9.720 ( -3.280 -5.681 -0.000) 6.560 11.073 ( -10.494 -18.176 0.000) 20.988 12.806 ( -7.026 -12.170 -0.000) 14.052 13.255 ( -1.003 -1.737 -0.000) 2.005 13.512 ( 0.434 0.751 -0.000) 0.867 15.172 ( 2.128 3.686 -0.000) 4.256 15.357 ( -1.422 -2.463 -0.000) 2.844 17.743 ( -8.058 -13.957 -0.000) 16.116 20.792 ( -4.168 -7.220 -0.000) 8.337 21.229 ( 0.489 0.846 -0.000) 0.977 21.293 ( -0.864 -1.497 -0.000) 1.729 21.577 ( 2.113 3.659 -0.000) 4.225 22.112 ( 3.344 5.792 -0.000) 6.688 22.488 ( -1.554 -2.692 -0.000) 3.108 30.665 ( 2.710 4.693 -0.000) 5.419 30.686 ( 1.552 2.688 0.000) 3.103 32.130 ( -4.481 -7.762 -0.000) 8.963 38.471 ( 4.863 8.422 -0.000) 9.725 39.054 ( 7.489 12.971 -0.000) 14.978 40.411 ( -4.112 -7.122 -0.000) 8.224 40.458 ( 2.112 3.658 0.000) 4.224 ======================= Grid point 533 (168/189) ======================= q-point: ( 0.58 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -0.000 -10.079 8.995) 13.509 2.286 ( -0.000 -4.155 7.408) 8.494 3.047 ( 0.000 -5.710 -18.172) 19.048 3.141 ( 0.000 8.676 -0.560) 8.694 3.607 ( -0.000 -7.049 3.842) 8.028 3.843 ( -0.000 -0.015 0.324) 0.324 4.296 ( -0.000 0.606 6.338) 6.367 5.247 ( 0.000 13.887 2.940) 14.195 5.535 ( 0.000 25.548 -12.438) 28.415 5.939 ( -0.000 26.004 9.209) 27.586 6.441 ( 0.000 15.333 -3.778) 15.792 7.790 ( 0.000 20.240 -7.183) 21.477 7.983 ( 0.000 15.994 3.145) 16.300 9.067 ( 0.000 10.037 0.881) 10.076 9.336 ( -0.000 13.575 9.204) 16.401 9.731 ( 0.000 16.704 -0.550) 16.713 11.249 ( 0.000 12.435 -3.460) 12.908 13.123 ( -0.000 -11.620 0.562) 11.634 13.516 ( -0.000 -18.671 -0.114) 18.672 13.698 ( -0.000 -19.814 1.184) 19.849 14.905 ( -0.000 -9.823 4.598) 10.845 15.421 ( 0.000 -5.620 -11.086) 12.429 18.376 ( -0.000 -6.794 1.298) 6.917 21.047 ( -0.000 -2.826 2.598) 3.838 21.247 ( 0.000 -1.099 -0.752) 1.331 21.367 ( -0.000 -2.604 5.556) 6.136 21.438 ( 0.000 2.462 -1.057) 2.679 21.692 ( 0.000 -0.328 -1.516) 1.551 22.701 ( 0.000 -1.292 -3.522) 3.751 30.507 ( 0.000 7.012 -1.339) 7.138 30.603 ( 0.000 4.455 0.863) 4.538 32.423 ( -0.000 -14.920 0.009) 14.920 38.116 ( 0.000 3.402 0.132) 3.404 38.592 ( 0.000 5.434 -0.184) 5.437 40.213 ( -0.000 15.510 14.792) 21.433 40.709 ( 0.000 14.713 -15.228) 21.175 ======================= Grid point 534 (169/189) ======================= q-point: ( 0.67 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 8.441 -8.766 8.638) 14.924 2.394 ( 12.747 -6.695 4.851) 15.193 3.028 ( 13.000 -6.968 -23.309) 27.584 3.282 ( 4.106 6.816 6.032) 9.985 3.525 ( 4.042 -6.311 -15.166) 16.917 3.976 ( 11.477 -1.272 18.806) 22.069 4.311 ( -1.009 2.092 5.895) 6.336 5.338 ( -2.824 7.395 2.942) 8.445 5.686 ( -1.812 23.885 -15.402) 28.478 6.207 ( 2.809 20.379 3.177) 20.815 6.723 ( 12.994 15.678 3.437) 20.651 7.833 ( -5.214 7.643 -4.039) 10.096 8.210 ( -0.914 23.484 2.449) 23.629 9.114 ( -3.363 7.694 2.019) 8.636 9.551 ( 5.030 7.512 6.378) 11.064 9.850 ( -4.876 17.098 -1.875) 17.878 11.325 ( -3.450 5.777 -3.869) 7.762 12.972 ( -2.147 -15.689 1.141) 15.876 13.330 ( -2.223 -13.581 -1.037) 13.801 13.522 ( -1.147 -10.313 1.771) 10.527 14.898 ( 9.296 -10.224 3.191) 14.182 15.338 ( 0.344 -4.567 -7.867) 9.103 18.209 ( -12.228 -6.015 -0.007) 13.627 20.988 ( -5.143 -3.259 3.458) 7.002 21.226 ( -0.431 0.233 -0.481) 0.687 21.338 ( -1.832 -2.563 3.048) 4.383 21.490 ( 2.525 2.896 -1.105) 3.999 21.782 ( 10.315 -0.042 0.116) 10.316 22.642 ( -3.840 -0.862 -3.425) 5.217 30.581 ( 1.513 6.237 -1.593) 6.613 30.656 ( 0.360 4.312 1.795) 4.685 32.267 ( -2.600 -11.406 -0.584) 11.713 38.208 ( 6.741 3.406 -0.016) 7.553 38.710 ( 7.949 5.195 -0.131) 9.496 40.376 ( -0.638 7.198 13.825) 15.600 40.735 ( -6.322 11.136 -13.011) 18.255 ======================= Grid point 548 (170/189) ======================= q-point: (-0.33 -0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -0.000 -8.393 7.424) 11.205 2.251 ( -0.000 -4.461 6.567) 7.939 2.719 ( 0.000 -9.262 -24.866) 26.535 3.338 ( -0.000 8.076 5.137) 9.571 3.378 ( 0.000 -7.027 -14.302) 15.935 3.931 ( -0.000 -2.786 19.755) 19.951 4.366 ( -0.000 1.715 6.622) 6.841 5.378 ( 0.000 -0.496 -6.699) 6.717 5.822 ( 0.000 15.519 -14.775) 21.428 6.427 ( -0.000 17.901 6.709) 19.117 6.768 ( -0.000 15.300 6.898) 16.783 7.895 ( 0.000 0.263 -6.086) 6.092 8.434 ( 0.000 18.077 3.494) 18.412 9.271 ( 0.000 11.144 2.124) 11.345 9.582 ( -0.000 3.181 8.706) 9.269 10.070 ( 0.000 18.401 -3.957) 18.822 11.420 ( 0.000 5.843 -5.421) 7.971 12.838 ( -0.000 -14.893 1.901) 15.014 13.211 ( -0.000 -11.713 -1.627) 11.825 13.445 ( -0.000 -7.040 2.778) 7.568 14.703 ( -0.000 -10.832 0.919) 10.871 15.278 ( 0.000 -2.229 -5.453) 5.891 18.271 ( 0.000 -4.389 -1.709) 4.710 21.036 ( -0.000 -1.207 5.003) 5.147 21.218 ( 0.000 -1.013 -1.239) 1.600 21.353 ( -0.000 -2.265 4.915) 5.411 21.488 ( 0.000 2.985 -0.926) 3.125 21.679 ( 0.000 -0.116 -0.675) 0.685 22.654 ( 0.000 -0.406 -4.427) 4.445 30.621 ( 0.000 5.480 -1.278) 5.627 30.698 ( -0.000 3.172 1.880) 3.687 32.186 ( -0.000 -8.563 -0.969) 8.618 38.171 ( 0.000 2.133 -0.010) 2.133 38.674 ( 0.000 2.837 -0.024) 2.837 40.482 ( -0.000 1.735 12.424) 12.544 40.867 ( 0.000 12.048 -11.045) 16.344 ======================= Grid point 641 (171/189) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.365 ( -0.000 0.000 2.169) 2.169 0.426 ( 0.000 -0.000 -2.672) 2.672 1.444 ( -0.000 0.000 32.920) 32.920 2.342 ( -0.000 0.000 17.745) 17.745 2.924 ( -0.000 0.000 65.644) 65.644 2.991 ( 0.000 -0.000 -10.820) 10.820 3.561 ( 0.000 -0.000 -11.569) 11.569 4.417 ( -0.000 0.000 13.319) 13.319 4.993 ( 0.000 -0.000 -0.113) 0.113 5.194 ( 0.000 -0.000 -39.600) 39.600 6.246 ( 0.000 -0.000 -1.745) 1.745 6.813 ( 0.000 -0.000 -2.005) 2.005 7.567 ( 0.000 -0.000 -25.298) 25.298 7.957 ( 0.000 -0.000 -0.420) 0.420 8.655 ( -0.000 0.000 14.292) 14.292 8.942 ( -0.000 0.000 1.105) 1.105 10.918 ( -0.000 0.000 1.156) 1.156 14.074 ( 0.000 -0.000 -2.010) 2.010 14.592 ( -0.000 0.000 0.036) 0.036 14.612 ( 0.000 -0.000 -0.672) 0.672 14.701 ( -0.000 0.000 0.601) 0.601 14.720 ( 0.000 -0.000 -0.060) 0.060 19.242 ( -0.000 0.000 5.067) 5.067 21.331 ( -0.000 0.000 0.234) 0.234 21.348 ( 0.000 -0.000 -0.259) 0.259 21.463 ( -0.000 0.000 0.272) 0.272 21.480 ( 0.000 -0.000 -0.205) 0.205 21.802 ( 0.000 -0.000 -3.901) 3.901 22.586 ( -0.000 0.000 1.709) 1.709 30.421 ( 0.000 -0.000 -1.110) 1.110 30.742 ( -0.000 0.000 0.870) 0.870 34.398 ( 0.000 -0.000 -0.062) 0.062 37.893 ( -0.000 0.000 0.309) 0.309 37.901 ( -0.000 0.000 0.089) 0.089 38.213 ( 0.000 -0.000 -0.184) 0.184 38.220 ( 0.000 -0.000 -0.393) 0.393 ======================= Grid point 642 (172/189) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 33.737 19.478 1.302) 38.978 1.424 ( 51.175 29.546 1.584) 59.113 1.844 ( 23.621 13.638 27.141) 38.479 2.644 ( 19.851 11.461 2.409) 23.049 2.867 ( -6.695 -3.865 14.923) 16.807 3.323 ( 14.340 8.279 46.411) 49.277 3.665 ( 11.514 6.648 -12.546) 18.280 4.441 ( -2.811 -1.623 10.540) 11.028 4.944 ( -0.276 -0.160 -4.346) 4.358 5.104 ( 2.440 1.409 -36.085) 36.194 6.097 ( -6.863 -3.962 -5.879) 9.867 6.876 ( 2.778 1.604 5.720) 6.558 7.545 ( 5.575 3.219 -22.573) 23.473 8.070 ( 10.009 5.779 -0.235) 11.560 8.786 ( 6.039 3.486 11.105) 13.113 9.013 ( 5.797 3.347 -0.724) 6.733 10.921 ( 0.257 0.149 0.273) 0.403 13.753 ( -15.445 -8.917 6.093) 18.847 14.538 ( -6.308 -3.642 -0.688) 7.317 14.630 ( -6.347 -3.664 0.702) 7.362 14.802 ( 8.058 4.652 2.855) 9.732 15.027 ( 20.717 11.961 -13.815) 27.624 19.123 ( -10.877 -6.280 4.307) 13.278 21.293 ( -4.279 -2.470 0.852) 5.014 21.323 ( -1.351 -0.780 0.143) 1.567 21.429 ( -2.472 -1.427 0.232) 2.864 21.481 ( 1.413 0.816 0.851) 1.840 21.772 ( -1.306 -0.754 -4.170) 4.434 22.651 ( 3.781 2.183 0.821) 4.442 30.383 ( -2.388 -1.379 -1.265) 3.034 30.652 ( -6.119 -3.533 0.679) 7.098 33.849 ( -34.271 -19.786 10.783) 41.016 37.932 ( 2.207 1.274 -0.275) 2.563 38.212 ( 3.965 2.289 0.165) 4.581 38.491 ( 24.249 14.000 3.565) 28.227 38.799 ( 53.595 30.943 -24.152) 66.432 ======================= Grid point 643 (173/189) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 22.499 12.990 3.318) 26.191 2.368 ( 29.336 16.937 9.469) 35.173 2.431 ( 14.321 8.268 24.524) 29.578 2.732 ( -0.984 -0.568 -14.280) 14.325 3.181 ( 19.544 11.284 23.297) 32.435 3.715 ( 6.967 4.023 5.392) 9.685 4.139 ( 29.371 16.957 19.513) 39.128 4.397 ( 0.951 0.549 -3.283) 3.462 5.008 ( 5.540 3.199 -1.870) 6.665 5.058 ( 6.804 3.928 -30.480) 31.477 6.028 ( 4.162 2.403 -11.233) 12.217 6.971 ( 4.725 2.728 9.258) 10.746 7.648 ( 8.759 5.057 -15.586) 18.580 8.389 ( 17.043 9.840 0.574) 19.688 8.973 ( 7.786 4.495 6.637) 11.175 9.173 ( 8.168 4.716 0.261) 9.436 10.944 ( 2.256 1.302 -1.012) 2.794 13.491 ( -9.955 -5.747 3.750) 12.091 14.311 ( -13.328 -7.695 -1.136) 15.431 14.423 ( -12.093 -6.982 1.052) 14.003 15.020 ( 8.388 4.843 4.960) 10.882 15.285 ( 6.057 3.497 -9.927) 12.144 18.844 ( -13.447 -7.764 2.079) 15.666 21.192 ( -4.229 -2.441 1.277) 5.047 21.289 ( -1.418 -0.819 0.124) 1.642 21.393 ( -0.890 -0.514 0.516) 1.150 21.522 ( 1.528 0.882 -0.843) 1.956 21.718 ( -2.075 -1.198 -3.412) 4.170 22.708 ( 0.728 0.420 0.491) 0.974 30.341 ( -0.286 -0.165 -1.208) 1.252 30.548 ( -2.174 -1.255 -1.116) 2.748 33.204 ( -25.249 -14.577 8.780) 30.448 37.988 ( 2.887 1.667 -0.848) 3.439 38.318 ( 5.490 3.170 1.038) 6.423 39.167 ( 30.707 17.728 10.223) 36.901 39.765 ( 37.200 21.478 -28.881) 51.761 ======================= Grid point 644 (174/189) ======================= q-point: ( 0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 5.308 3.065 2.946) 6.801 2.521 ( -4.647 -2.683 0.170) 5.368 2.755 ( 2.075 1.198 19.807) 19.951 2.878 ( 12.181 7.033 5.332) 15.043 3.590 ( 3.805 2.197 14.329) 14.987 3.877 ( 11.502 6.641 -9.767) 16.486 4.346 ( 0.091 0.052 3.063) 3.065 4.778 ( 17.803 10.279 -3.442) 20.844 5.217 ( 9.708 5.605 -7.916) 13.723 5.387 ( 30.485 17.600 -2.307) 35.276 6.191 ( 12.378 7.147 -10.766) 17.894 7.227 ( 16.327 9.426 8.784) 20.799 7.816 ( 9.580 5.531 -8.934) 14.219 8.780 ( 15.756 9.097 1.439) 18.250 9.176 ( 9.324 5.383 -0.982) 10.811 9.404 ( 12.018 6.938 3.364) 14.279 11.033 ( 6.179 3.568 -0.827) 7.183 13.306 ( -7.393 -4.268 0.662) 8.562 13.941 ( -18.540 -10.704 -1.080) 21.435 14.096 ( -16.686 -9.634 0.740) 19.282 15.130 ( -0.702 -0.405 -6.055) 6.109 15.306 ( -1.551 -0.896 9.178) 9.351 18.572 ( -10.441 -6.028 0.194) 12.058 21.120 ( -2.387 -1.378 -0.193) 2.763 21.262 ( -1.104 -0.637 0.332) 1.317 21.392 ( 0.542 0.313 1.090) 1.257 21.513 ( -1.574 -0.909 -5.974) 6.244 21.677 ( -0.664 -0.383 0.227) 0.799 22.696 ( -1.664 -0.961 1.683) 2.555 30.377 ( 3.657 2.111 0.044) 4.223 30.550 ( 2.534 1.463 -2.536) 3.872 32.746 ( -17.872 -10.319 4.615) 21.147 38.054 ( 3.094 1.786 -0.881) 3.680 38.457 ( 6.117 3.531 1.044) 7.139 39.855 ( 25.963 14.990 8.351) 31.121 40.307 ( 19.117 11.037 -17.012) 27.869 ======================= Grid point 645 (175/189) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -6.895 -3.981 -0.647) 7.988 2.385 ( -5.304 -3.062 -8.262) 10.284 2.791 ( -5.626 -3.248 27.789) 28.539 3.133 ( 9.641 5.566 2.994) 11.529 3.526 ( -8.196 -4.732 9.306) 13.272 4.014 ( 3.189 1.841 -21.814) 22.122 4.351 ( 1.179 0.681 -4.433) 4.637 5.235 ( 16.591 9.579 4.951) 19.787 5.420 ( 11.375 6.567 9.214) 16.044 6.012 ( 23.314 13.460 -5.023) 27.385 6.470 ( 14.759 8.521 -8.985) 19.266 7.706 ( 17.339 10.011 9.072) 21.981 8.038 ( 14.930 8.620 -7.302) 18.722 9.065 ( 9.303 5.371 1.256) 10.815 9.416 ( 12.341 7.125 -5.897) 15.422 9.714 ( 13.970 8.066 2.636) 16.345 11.220 ( 9.615 5.551 2.037) 11.288 13.130 ( -9.632 -5.561 -0.860) 11.156 13.515 ( -17.068 -9.854 0.011) 19.708 13.707 ( -16.318 -9.421 -0.498) 18.849 14.959 ( -10.437 -6.026 -5.595) 13.287 15.305 ( -2.407 -1.390 10.977) 11.323 18.381 ( -6.516 -3.762 0.322) 7.531 21.076 ( -1.289 -0.744 -2.703) 3.086 21.239 ( -1.146 -0.662 0.682) 1.489 21.416 ( -0.371 -0.214 -0.210) 0.477 21.443 ( -0.396 -0.228 -5.510) 5.529 21.676 ( -0.042 -0.024 1.372) 1.373 22.664 ( -1.670 -0.964 3.464) 3.964 30.492 ( 5.759 3.325 1.334) 6.782 30.623 ( 4.173 2.409 -2.761) 5.553 32.412 ( -12.791 -7.385 2.142) 14.924 38.119 ( 2.751 1.588 -0.452) 3.209 38.588 ( 4.921 2.841 0.547) 5.709 40.348 ( 15.695 9.062 -7.594) 19.650 40.589 ( 10.250 5.918 4.398) 12.627 ======================= Grid point 654 (176/189) ======================= q-point: ( 0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 0.000 42.354 0.239) 42.355 1.461 ( 0.000 60.770 -0.233) 60.770 1.852 ( -0.000 14.919 29.390) 32.960 2.661 ( 0.000 24.481 -17.235) 29.939 3.008 ( -0.000 5.569 25.603) 26.202 3.448 ( -0.000 6.961 50.559) 51.036 3.598 ( 0.000 12.379 -12.632) 17.686 4.538 ( -0.000 3.298 10.725) 11.221 4.866 ( 0.000 -2.065 -22.542) 22.636 4.984 ( 0.000 -0.091 -22.311) 22.312 6.048 ( 0.000 -11.970 -3.622) 12.506 6.950 ( -0.000 9.024 7.597) 11.796 7.446 ( 0.000 4.674 -22.044) 22.534 8.068 ( 0.000 11.387 -0.288) 11.390 8.816 ( -0.000 5.419 10.210) 11.559 9.011 ( 0.000 7.001 -1.369) 7.134 10.922 ( -0.000 0.118 0.211) 0.242 13.764 ( -0.000 -18.013 5.154) 18.736 14.520 ( -0.000 -8.087 0.305) 8.093 14.641 ( -0.000 -6.709 0.038) 6.709 14.769 ( -0.000 7.427 2.572) 7.860 15.057 ( 0.000 28.214 -13.027) 31.077 19.139 ( -0.000 -12.569 3.582) 13.070 21.303 ( -0.000 -4.211 0.246) 4.218 21.325 ( -0.000 -0.845 -0.183) 0.865 21.433 ( -0.000 -2.673 -0.073) 2.674 21.472 ( -0.000 -0.263 1.590) 1.612 21.746 ( 0.000 -2.764 -2.586) 3.785 22.655 ( 0.000 4.467 0.621) 4.510 30.379 ( 0.000 -2.817 -1.054) 3.007 30.655 ( -0.000 -7.200 0.599) 7.225 33.887 ( -0.000 -37.941 8.008) 38.777 37.915 ( -0.000 1.829 0.591) 1.922 38.226 ( 0.000 6.199 -0.671) 6.235 38.446 ( 0.000 26.640 3.775) 26.906 38.779 ( 0.000 59.089 -19.243) 62.143 ======================= Grid point 655 (177/189) ======================= q-point: ( 0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 15.442 30.269 2.600) 34.080 2.197 ( 24.274 28.510 11.829) 39.268 2.314 ( 17.689 23.313 14.287) 32.566 2.752 ( -3.423 9.025 -18.432) 20.806 3.261 ( 2.493 21.169 27.671) 34.929 3.653 ( 6.226 2.968 3.901) 7.924 3.947 ( 18.512 20.889 18.460) 33.463 4.489 ( -8.060 2.483 -1.947) 8.656 4.890 ( 7.557 6.084 -18.006) 20.454 4.929 ( 2.569 -1.438 -10.836) 11.229 5.964 ( 2.158 -0.426 -6.316) 6.688 7.025 ( -2.206 6.257 6.108) 9.018 7.519 ( 7.571 8.261 -14.181) 18.074 8.282 ( 9.192 15.107 0.440) 17.689 8.943 ( 4.812 5.684 7.001) 10.221 9.123 ( 4.106 8.137 -0.935) 9.162 10.933 ( 0.837 1.605 -0.592) 1.904 13.563 ( -6.223 -11.774 3.703) 13.823 14.383 ( -5.729 -11.728 -0.067) 13.053 14.482 ( -6.994 -11.089 0.147) 13.111 14.948 ( 7.894 6.602 5.143) 11.504 15.281 ( 2.492 17.359 -12.429) 21.495 18.929 ( -8.556 -14.899 2.201) 17.322 21.248 ( -2.635 -3.001 1.308) 4.202 21.275 ( -2.017 -3.526 -0.764) 4.133 21.401 ( -0.708 -1.298 0.439) 1.542 21.482 ( 1.268 -1.351 0.690) 1.977 21.735 ( 0.904 0.547 -2.011) 2.271 22.701 ( 0.584 1.712 0.022) 1.809 30.342 ( -0.694 -1.105 -1.030) 1.662 30.565 ( -2.355 -4.099 -0.287) 4.736 33.398 ( -16.525 -27.823 6.742) 33.055 37.970 ( 2.601 2.975 0.013) 3.952 38.294 ( 2.474 5.911 0.036) 6.408 38.967 ( 20.788 27.984 10.127) 36.302 39.465 ( 21.565 44.541 -24.571) 55.252 ======================= Grid point 656 (178/189) ======================= q-point: ( 0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 7.303 14.443 4.507) 16.800 2.653 ( -7.021 8.344 -2.237) 11.132 2.736 ( 12.583 3.936 8.662) 15.775 2.904 ( 10.493 28.914 6.412) 31.421 3.567 ( 4.725 9.061 12.828) 16.401 3.801 ( 8.384 4.463 1.618) 9.634 4.359 ( -4.590 2.841 -7.989) 9.642 4.526 ( 19.804 6.353 4.482) 21.275 5.022 ( 10.145 2.896 -5.345) 11.827 5.165 ( 18.139 22.080 -6.601) 29.328 6.106 ( 8.635 13.820 -6.574) 17.572 7.120 ( 6.668 5.836 5.536) 10.448 7.708 ( 7.998 9.005 -6.868) 13.864 8.630 ( 13.277 13.061 0.661) 18.637 9.137 ( 6.415 10.407 1.123) 12.277 9.291 ( 8.120 5.920 1.509) 10.162 10.995 ( 3.416 4.952 -0.726) 6.059 13.371 ( -6.204 -7.314 0.980) 9.641 14.089 ( -13.294 -14.297 -0.611) 19.532 14.203 ( -10.692 -15.228 0.314) 18.610 15.114 ( 3.123 2.829 -0.147) 4.216 15.380 ( -1.315 6.389 0.705) 6.561 18.628 ( -9.029 -14.461 0.343) 17.052 21.157 ( -4.222 -2.587 0.395) 4.967 21.232 ( 0.906 -3.753 0.065) 3.861 21.397 ( 0.479 0.543 0.940) 1.186 21.469 ( 0.041 -3.454 -2.617) 4.334 21.759 ( -1.629 5.791 -0.717) 6.059 22.697 ( -0.557 -2.201 0.489) 2.322 30.353 ( 1.889 2.384 -0.329) 3.060 30.528 ( 0.633 0.462 -1.256) 1.480 32.915 ( -15.626 -17.813 3.559) 23.962 38.048 ( 2.096 4.929 -0.531) 5.382 38.425 ( 4.749 7.135 0.636) 8.595 39.631 ( 22.640 21.219 7.998) 32.044 40.073 ( 18.524 22.466 -15.175) 32.835 ======================= Grid point 657 (179/189) ======================= q-point: ( 0.67 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( -5.570 3.000 -0.786) 6.375 2.544 ( -11.761 9.107 -7.292) 16.566 2.987 ( 3.504 4.927 18.350) 19.320 3.163 ( -5.061 18.050 5.553) 19.551 3.622 ( -3.429 -3.720 6.290) 8.072 3.999 ( 1.446 11.973 -12.963) 17.705 4.290 ( 0.757 -1.279 -3.119) 3.455 5.002 ( 25.665 10.200 4.803) 28.032 5.238 ( 15.122 1.763 -3.670) 15.661 5.747 ( 21.170 19.289 0.011) 28.640 6.413 ( 8.549 19.710 -4.959) 22.049 7.457 ( 21.621 8.175 5.398) 23.737 7.905 ( 8.334 6.926 -3.003) 11.245 8.936 ( 10.654 5.898 0.083) 12.178 9.348 ( 6.124 13.217 -4.415) 15.221 9.546 ( 13.503 5.522 2.079) 14.736 11.146 ( 6.788 7.202 1.061) 9.953 13.208 ( -6.489 -5.818 -0.311) 8.721 13.682 ( -16.134 -14.616 -0.220) 21.772 13.838 ( -13.321 -15.588 -0.399) 20.508 15.083 ( -7.092 1.179 -6.132) 9.449 15.388 ( -3.631 -0.210 10.852) 11.445 18.372 ( -4.315 -13.836 -0.619) 14.506 21.068 ( -2.200 -4.250 -1.361) 4.976 21.222 ( 0.959 -1.898 0.388) 2.161 21.406 ( -1.301 -3.740 -4.007) 5.633 21.433 ( 1.295 2.490 0.839) 2.929 21.779 ( -4.167 8.297 0.181) 9.286 22.662 ( -0.038 -4.002 2.123) 4.530 30.447 ( 4.558 4.650 0.914) 6.575 30.575 ( 3.208 2.586 -1.736) 4.471 32.541 ( -12.418 -12.071 1.490) 17.382 38.132 ( 1.140 6.551 -0.398) 6.662 38.581 ( 3.741 8.620 0.541) 9.412 40.145 ( 16.449 12.854 -6.000) 21.721 40.452 ( 13.253 6.910 3.630) 15.381 ======================= Grid point 668 (180/189) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 0.000 28.724 -2.569) 28.839 2.194 ( -0.000 7.411 25.102) 26.173 2.511 ( 0.000 35.626 0.544) 35.631 2.849 ( 0.000 12.312 -12.645) 17.649 3.515 ( -0.000 12.328 7.629) 14.497 3.699 ( -0.000 15.220 8.029) 17.208 4.045 ( -0.000 17.444 14.529) 22.702 4.604 ( 0.000 9.965 -15.591) 18.504 4.815 ( 0.000 4.679 -7.297) 8.668 4.909 ( -0.000 7.880 3.116) 8.474 5.931 ( 0.000 4.356 -3.617) 5.662 7.141 ( 0.000 7.400 -2.442) 7.792 7.502 ( 0.000 11.972 -5.916) 13.354 8.381 ( 0.000 19.295 1.147) 19.329 8.975 ( -0.000 5.442 6.178) 8.233 9.187 ( 0.000 11.172 -0.744) 11.197 10.942 ( 0.000 2.642 -0.781) 2.755 13.501 ( -0.000 -12.341 2.762) 12.646 14.291 ( -0.000 -15.580 0.744) 15.598 14.435 ( -0.000 -14.029 -0.118) 14.030 14.959 ( -0.000 6.536 6.461) 9.190 15.385 ( 0.000 14.667 -14.938) 20.934 18.852 ( -0.000 -16.762 1.582) 16.836 21.206 ( -0.000 -5.190 -0.031) 5.190 21.297 ( 0.000 -1.432 -0.733) 1.608 21.395 ( -0.000 -1.186 0.583) 1.322 21.471 ( -0.000 -1.792 3.373) 3.819 21.698 ( 0.000 -0.608 -1.225) 1.367 22.721 ( 0.000 1.841 -0.667) 1.958 30.336 ( 0.000 -0.026 -0.831) 0.832 30.542 ( -0.000 -3.317 -0.356) 3.336 33.258 ( -0.000 -29.625 3.692) 29.854 37.970 ( 0.000 3.265 0.729) 3.345 38.338 ( 0.000 6.465 -0.731) 6.506 39.142 ( -0.000 34.249 12.802) 36.564 39.683 ( 0.000 45.358 -21.399) 50.152 ======================= Grid point 669 (181/189) ======================= q-point: ( 0.58 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 7.585 12.373 1.802) 14.624 2.508 ( 18.616 1.844 16.439) 24.904 2.840 ( -0.092 11.863 -5.153) 12.934 2.980 ( 9.997 25.995 -5.522) 28.393 3.635 ( 6.001 1.940 -0.466) 6.324 3.807 ( -6.416 11.450 4.712) 13.945 4.276 ( 10.414 4.383 -0.477) 11.309 4.598 ( -9.560 12.985 -4.315) 16.692 4.958 ( 2.906 8.606 4.903) 10.322 5.146 ( 10.913 28.343 -1.668) 30.417 6.081 ( 8.500 14.314 -2.004) 16.767 7.170 ( -2.328 9.819 -3.759) 10.768 7.679 ( 5.602 11.865 -1.359) 13.192 8.626 ( 5.210 17.875 1.283) 18.663 9.118 ( 7.317 8.475 4.532) 12.079 9.305 ( 0.673 10.999 -0.906) 11.057 10.996 ( 2.348 5.758 -0.882) 6.281 13.371 ( -2.973 -9.278 1.004) 9.794 14.083 ( -5.229 -18.681 0.392) 19.403 14.205 ( -8.070 -17.045 0.027) 18.859 15.078 ( 4.542 1.836 5.538) 7.394 15.443 ( 0.059 6.252 -10.081) 11.862 18.625 ( -7.768 -15.548 0.902) 17.404 21.159 ( -0.253 -5.414 -0.029) 5.420 21.233 ( -3.952 -0.896 -0.112) 4.054 21.394 ( 0.501 -0.093 1.972) 2.037 21.450 ( -1.143 -2.083 0.660) 2.466 21.759 ( 5.622 1.832 -0.634) 5.947 22.705 ( -2.261 -0.923 -1.008) 2.642 30.353 ( 1.025 3.119 -0.480) 3.318 30.523 ( 0.139 0.427 -0.338) 0.562 32.927 ( -7.975 -22.488 1.272) 23.895 38.044 ( 3.612 4.215 0.344) 5.562 38.431 ( 3.367 7.787 -0.409) 8.493 39.611 ( 11.081 27.525 11.139) 31.694 40.071 ( 6.663 30.287 -14.151) 34.087 ======================= Grid point 670 (182/189) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 0.086 0.149 -0.000) 0.172 2.738 ( 0.089 0.154 -0.000) 0.178 2.964 ( 7.269 12.591 -0.000) 14.539 3.388 ( 5.516 9.554 -0.000) 11.032 3.776 ( 2.438 4.223 0.000) 4.876 3.818 ( 4.991 8.645 -0.000) 9.982 4.468 ( 1.206 2.089 0.000) 2.413 4.659 ( 10.192 17.652 -0.000) 20.383 5.091 ( 5.158 8.934 -0.000) 10.316 5.673 ( 15.205 26.336 -0.000) 30.410 6.442 ( 11.908 20.626 -0.000) 23.816 7.302 ( 7.156 12.394 -0.000) 14.312 7.860 ( 4.379 7.585 -0.000) 8.758 8.869 ( 6.237 10.803 -0.000) 12.474 9.406 ( 3.219 5.576 -0.000) 6.439 9.409 ( 9.039 15.656 -0.000) 18.078 11.128 ( 4.671 8.090 -0.000) 9.341 13.234 ( -4.109 -7.118 -0.000) 8.219 13.752 ( -11.051 -19.142 -0.000) 22.103 13.867 ( -10.301 -17.842 -0.000) 20.602 15.138 ( 0.015 0.027 -0.000) 0.031 15.452 ( -0.255 -0.442 -0.000) 0.511 18.325 ( -8.852 -15.332 -0.000) 17.704 21.064 ( -3.507 -6.074 -0.000) 7.013 21.202 ( 0.054 0.093 -0.000) 0.107 21.390 ( -1.871 -3.242 -0.000) 3.743 21.434 ( 1.524 2.639 0.000) 3.048 21.876 ( 3.226 5.587 -0.000) 6.452 22.635 ( -2.215 -3.836 -0.000) 4.430 30.433 ( 3.246 5.622 -0.000) 6.492 30.557 ( 1.714 2.968 0.000) 3.427 32.592 ( -9.153 -15.854 -0.000) 18.307 38.163 ( 3.790 6.565 -0.000) 7.580 38.598 ( 5.697 9.868 -0.000) 11.395 40.051 ( 10.469 18.134 -0.000) 20.939 40.366 ( 6.827 11.825 -0.000) 13.655 ======================= Grid point 682 (183/189) ======================= q-point: ( 0.58 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 0.000 4.107 -1.524) 4.381 2.386 ( -0.000 -2.099 17.984) 18.106 2.919 ( 0.000 12.589 -2.494) 12.833 3.009 ( 0.000 6.235 -20.869) 21.780 3.675 ( -0.000 6.012 8.411) 10.339 3.833 ( 0.000 -1.073 -10.112) 10.169 4.294 ( -0.000 2.464 7.442) 7.839 4.823 ( 0.000 21.655 -8.891) 23.409 5.130 ( -0.000 17.112 8.946) 19.309 5.355 ( 0.000 33.739 4.498) 34.037 6.131 ( 0.000 14.825 -0.009) 14.825 7.317 ( 0.000 18.027 -8.253) 19.826 7.753 ( 0.000 12.317 3.003) 12.678 8.783 ( 0.000 19.014 0.799) 19.031 9.141 ( -0.000 8.329 5.659) 10.070 9.429 ( 0.000 14.142 -1.269) 14.199 11.035 ( 0.000 7.783 -1.117) 7.862 13.306 ( -0.000 -8.934 0.572) 8.952 13.930 ( -0.000 -21.222 0.880) 21.240 14.101 ( -0.000 -19.546 -0.098) 19.547 15.055 ( -0.000 -2.316 7.341) 7.698 15.432 ( 0.000 1.083 -13.880) 13.922 18.567 ( -0.000 -12.372 1.104) 12.421 21.117 ( -0.000 -3.749 0.482) 3.780 21.267 ( 0.000 -1.191 -0.549) 1.312 21.397 ( -0.000 0.903 0.535) 1.049 21.451 ( -0.000 -3.056 5.170) 6.006 21.688 ( 0.000 0.064 -1.477) 1.479 22.717 ( 0.000 -1.066 -2.135) 2.387 30.380 ( 0.000 4.824 -0.614) 4.862 30.534 ( 0.000 2.267 0.613) 2.348 32.774 ( -0.000 -21.163 -0.695) 21.174 38.046 ( 0.000 3.726 0.660) 3.784 38.466 ( 0.000 6.897 -0.754) 6.938 39.842 ( -0.000 27.123 11.194) 29.342 40.271 ( 0.000 26.381 -10.442) 28.373 ======================= Grid point 805 (184/189) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( -0.000 0.000 1.095) 1.095 0.404 ( 0.000 -0.000 -1.613) 1.613 1.778 ( -0.000 0.000 31.320) 31.320 2.334 ( 0.000 -0.000 -16.904) 16.904 3.035 ( -0.000 0.000 16.789) 16.789 3.421 ( 0.000 -0.000 -15.507) 15.507 3.583 ( -0.000 0.000 61.134) 61.134 4.574 ( -0.000 0.000 16.830) 16.830 4.736 ( 0.000 -0.000 -48.326) 48.326 4.922 ( 0.000 -0.000 -12.593) 12.593 6.234 ( 0.000 -0.000 -0.699) 0.699 6.872 ( -0.000 0.000 12.705) 12.705 7.302 ( 0.000 -0.000 -25.223) 25.223 7.954 ( 0.000 -0.000 -0.213) 0.213 8.786 ( -0.000 0.000 10.931) 10.931 8.932 ( 0.000 -0.000 -3.019) 3.019 10.927 ( -0.000 0.000 0.622) 0.622 14.058 ( 0.000 -0.000 -1.118) 1.118 14.594 ( -0.000 0.000 0.323) 0.323 14.605 ( 0.000 -0.000 -0.702) 0.702 14.708 ( -0.000 0.000 0.633) 0.633 14.718 ( 0.000 -0.000 -0.308) 0.308 19.284 ( -0.000 0.000 2.938) 2.938 21.335 ( -0.000 0.000 0.408) 0.408 21.344 ( 0.000 -0.000 -0.441) 0.441 21.467 ( -0.000 0.000 0.440) 0.440 21.477 ( 0.000 -0.000 -0.382) 0.382 21.770 ( 0.000 -0.000 -2.229) 2.229 22.600 ( -0.000 0.000 0.929) 0.929 30.412 ( 0.000 -0.000 -0.627) 0.627 30.749 ( -0.000 0.000 0.489) 0.489 34.398 ( 0.000 -0.000 -0.037) 0.037 37.896 ( -0.000 0.000 0.317) 0.317 37.901 ( 0.000 -0.000 -0.085) 0.085 38.212 ( -0.000 0.000 0.025) 0.025 38.216 ( 0.000 -0.000 -0.359) 0.359 ======================= Grid point 806 (185/189) ======================= q-point: ( 0.50 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 35.054 20.239 -0.038) 40.477 1.439 ( 52.830 30.502 1.380) 61.019 2.129 ( 19.990 11.541 27.313) 35.760 2.449 ( 11.945 6.896 -26.104) 29.524 3.148 ( 4.639 2.678 27.656) 28.170 3.502 ( 11.307 6.528 -17.236) 21.623 3.852 ( 7.190 4.151 50.514) 51.192 4.467 ( -5.134 -2.964 -21.304) 22.113 4.743 ( 5.814 3.357 -9.087) 11.297 4.893 ( 1.672 0.966 -12.779) 12.925 6.051 ( -9.863 -5.694 -2.967) 11.769 6.982 ( 2.316 1.337 13.374) 13.639 7.322 ( 8.821 5.093 -19.223) 21.755 8.068 ( 10.142 5.856 -0.134) 11.712 8.885 ( 4.431 2.558 7.288) 8.904 8.992 ( 6.383 3.685 -3.036) 7.971 10.923 ( -0.185 -0.107 0.108) 0.239 13.795 ( -14.530 -8.389 2.158) 16.916 14.531 ( -6.552 -3.783 -0.679) 7.597 14.636 ( -6.122 -3.534 0.554) 7.091 14.829 ( 9.068 5.235 1.061) 10.524 14.926 ( 18.457 10.656 -4.546) 21.792 19.157 ( -11.112 -6.415 2.023) 12.989 21.300 ( -3.617 -2.088 0.449) 4.200 21.324 ( -1.336 -0.771 0.036) 1.543 21.431 ( -2.399 -1.385 0.167) 2.775 21.486 ( 1.252 0.723 0.115) 1.451 21.739 ( -1.670 -0.964 -2.069) 2.828 22.657 ( 3.522 2.034 0.380) 4.085 30.373 ( -2.552 -1.473 -0.544) 2.996 30.658 ( -6.409 -3.700 0.352) 7.409 33.924 ( -31.840 -18.383 4.067) 36.990 37.928 ( 1.947 1.124 -0.539) 2.312 38.215 ( 4.805 2.774 0.388) 5.562 38.537 ( 27.780 16.039 5.118) 32.483 38.611 ( 43.700 25.230 -12.522) 51.990 ======================= Grid point 807 (186/189) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 23.434 13.530 3.086) 27.235 2.388 ( 22.573 13.032 -7.063) 27.005 2.555 ( 11.197 6.464 -12.997) 18.332 2.673 ( 16.582 9.573 20.227) 27.852 3.446 ( 11.292 6.519 20.943) 24.670 3.731 ( 9.118 5.264 -1.120) 10.588 4.222 ( 10.801 6.236 -10.864) 16.540 4.432 ( 11.656 6.730 13.827) 19.296 4.817 ( 7.158 4.133 -10.487) 13.353 4.967 ( 8.553 4.938 -6.639) 11.900 5.941 ( 2.892 1.670 -5.132) 6.123 7.075 ( 4.261 2.460 9.529) 10.724 7.517 ( 11.409 6.587 -8.341) 15.593 8.389 ( 17.207 9.934 -0.440) 19.874 9.009 ( 5.644 3.258 -0.033) 6.517 9.177 ( 9.622 5.555 0.764) 11.137 10.938 ( 2.004 1.157 -0.133) 2.318 13.513 ( -10.757 -6.210 0.471) 12.430 14.300 ( -13.428 -7.753 -1.023) 15.539 14.431 ( -12.077 -6.972 0.603) 13.958 15.024 ( 6.621 3.823 -4.699) 8.974 15.265 ( 10.545 6.088 6.632) 13.866 18.858 ( -14.229 -8.215 0.495) 16.438 21.202 ( -4.421 -2.552 0.675) 5.149 21.292 ( -1.356 -0.783 0.339) 1.602 21.397 ( -0.727 -0.420 0.145) 0.852 21.503 ( -0.149 -0.086 -2.677) 2.683 21.695 ( -1.237 -0.714 -0.871) 1.673 22.714 ( 1.048 0.605 0.630) 1.365 30.333 ( -0.142 -0.082 -0.261) 0.308 30.542 ( -2.875 -1.660 -0.253) 3.330 33.264 ( -25.920 -14.965 2.619) 30.044 37.979 ( 2.805 1.619 -0.897) 3.361 38.329 ( 5.594 3.230 1.003) 6.537 39.236 ( 31.034 17.918 -0.881) 35.846 39.572 ( 38.336 22.133 -4.242) 44.470 ======================= Grid point 819 (187/189) ======================= q-point: ( 0.50 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 0.000 41.570 0.431) 41.572 1.453 ( 0.000 61.660 -1.117) 61.670 2.155 ( -0.000 12.945 28.364) 31.178 2.417 ( 0.000 21.175 -26.035) 33.559 3.271 ( -0.000 10.824 21.149) 23.758 3.415 ( 0.000 11.078 -17.817) 20.981 4.000 ( -0.000 1.385 48.499) 48.519 4.387 ( 0.000 1.995 -41.639) 41.687 4.747 ( -0.000 4.099 11.714) 12.411 4.834 ( 0.000 1.068 -13.455) 13.498 6.034 ( -0.000 -13.051 0.423) 13.058 7.051 ( -0.000 3.352 7.622) 8.326 7.246 ( 0.000 10.901 -12.042) 16.243 8.067 ( 0.000 11.604 0.046) 11.604 8.901 ( -0.000 3.688 5.222) 6.393 8.985 ( 0.000 8.377 -2.792) 8.830 10.924 ( -0.000 -0.277 0.047) 0.281 13.798 ( -0.000 -16.823 1.449) 16.885 14.525 ( -0.000 -7.849 0.533) 7.867 14.640 ( -0.000 -6.865 -0.230) 6.869 14.804 ( -0.000 9.567 4.028) 10.380 14.951 ( 0.000 23.024 -7.439) 24.196 19.163 ( -0.000 -12.805 0.905) 12.836 21.303 ( -0.000 -3.959 -0.183) 3.963 21.324 ( -0.000 -1.307 -0.032) 1.307 21.432 ( -0.000 -2.692 -0.108) 2.694 21.483 ( -0.000 0.822 0.688) 1.072 21.730 ( -0.000 -2.359 -0.321) 2.381 22.659 ( 0.000 4.102 0.131) 4.104 30.372 ( -0.000 -2.969 -0.276) 2.982 30.659 ( -0.000 -7.429 0.166) 7.431 33.936 ( -0.000 -36.170 1.730) 36.212 37.921 ( -0.000 1.988 0.656) 2.094 38.220 ( 0.000 6.223 -0.562) 6.248 38.501 ( 0.000 33.174 6.965) 33.898 38.628 ( 0.000 47.817 -10.521) 48.961 ======================= Grid point 820 (188/189) ======================= q-point: ( 0.58 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 17.443 30.212 -0.000) 34.886 2.239 ( 23.830 41.275 -0.000) 47.660 2.507 ( 8.053 13.948 0.000) 16.106 2.548 ( 6.250 10.825 -0.000) 12.500 3.473 ( 6.732 11.659 -0.000) 13.463 3.595 ( 7.077 12.258 0.000) 14.155 4.153 ( 2.610 4.521 0.000) 5.220 4.385 ( 5.912 10.240 -0.000) 11.824 4.802 ( 2.090 3.620 -0.000) 4.180 4.871 ( 2.606 4.515 -0.000) 5.213 5.932 ( -0.205 -0.355 -0.000) 0.410 7.067 ( 0.745 1.290 -0.000) 1.490 7.434 ( 7.194 12.461 -0.000) 14.388 8.284 ( 9.008 15.602 -0.000) 18.016 8.983 ( 3.261 5.649 -0.000) 6.522 9.115 ( 4.941 8.557 -0.000) 9.881 10.930 ( 0.753 1.304 -0.000) 1.506 13.582 ( -6.833 -11.835 -0.000) 13.665 14.383 ( -6.516 -11.286 -0.000) 13.032 14.483 ( -6.548 -11.342 -0.000) 13.096 14.983 ( 4.983 8.632 0.000) 9.967 15.209 ( 8.306 14.387 -0.000) 16.613 18.940 ( -8.750 -15.156 -0.000) 17.501 21.256 ( -1.695 -2.936 -0.000) 3.390 21.269 ( -2.287 -3.961 -0.000) 4.574 21.403 ( -0.599 -1.038 -0.000) 1.198 21.486 ( -0.416 -0.720 -0.000) 0.832 21.725 ( 0.573 0.992 -0.000) 1.146 22.701 ( 0.797 1.381 -0.000) 1.594 30.336 ( -0.678 -1.175 -0.000) 1.357 30.563 ( -2.553 -4.423 -0.000) 5.107 33.433 ( -16.337 -28.296 -0.000) 32.673 37.970 ( 1.913 3.314 -0.000) 3.827 38.294 ( 3.205 5.551 -0.000) 6.410 39.042 ( 17.971 31.127 -0.000) 35.942 39.316 ( 24.191 41.900 -0.000) 48.382 ======================= Grid point 976 (189/189) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( 0.000 -0.000 -0.942) 0.942 0.391 ( -0.000 0.000 0.942) 0.942 2.088 ( 0.000 -0.000 -27.941) 27.941 2.088 ( -0.000 0.000 27.941) 27.941 3.238 ( 0.000 -0.000 -19.632) 19.632 3.238 ( -0.000 0.000 19.632) 19.632 4.145 ( 0.000 -0.000 -0.000) 0.000 4.240 ( -0.000 0.000 0.000) 0.000 4.758 ( 0.000 -0.000 -17.802) 17.802 4.758 ( -0.000 0.000 17.802) 17.802 6.231 ( -0.000 0.000 0.000) 0.000 7.056 ( 0.000 -0.000 -21.668) 21.668 7.056 ( -0.000 0.000 21.668) 21.668 7.953 ( -0.000 0.000 0.000) 0.000 8.880 ( 0.000 -0.000 -7.075) 7.075 8.880 ( -0.000 0.000 7.075) 7.075 10.930 ( -0.000 0.000 0.000) 0.000 14.052 ( -0.000 0.000 0.000) 0.000 14.598 ( 0.000 -0.000 -0.562) 0.562 14.598 ( -0.000 0.000 0.562) 0.562 14.714 ( 0.000 -0.000 -0.514) 0.514 14.714 ( -0.000 0.000 0.514) 0.514 19.300 ( -0.000 0.000 0.000) 0.000 21.339 ( 0.000 -0.000 -0.488) 0.488 21.339 ( -0.000 0.000 0.488) 0.488 21.472 ( 0.000 -0.000 -0.472) 0.472 21.472 ( -0.000 0.000 0.472) 0.472 21.758 ( -0.000 0.000 0.000) 0.000 22.605 ( -0.000 0.000 0.000) 0.000 30.408 ( -0.000 0.000 0.000) 0.000 30.752 ( -0.000 0.000 0.000) 0.000 34.398 ( -0.000 0.000 0.000) 0.000 37.899 ( 0.000 -0.000 -0.235) 0.235 37.899 ( -0.000 0.000 0.235) 0.235 38.213 ( 0.000 -0.000 -0.225) 0.225 38.213 ( -0.000 0.000 0.225) 0.225 =================== 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 3/62208 10.0 61.202 61.202 90.777 0.000 -0.000 -0.000 3/62208 20.0 41.845 41.845 35.810 0.000 -0.000 -0.000 3/62208 30.0 25.509 25.509 21.626 0.000 -0.000 -0.000 3/62208 40.0 17.868 17.868 15.665 0.000 -0.000 -0.000 3/62208 50.0 13.751 13.751 12.360 0.000 -0.000 -0.000 3/62208 60.0 11.249 11.249 10.231 0.000 -0.000 -0.000 3/62208 70.0 9.583 9.583 8.735 0.000 -0.000 -0.000 3/62208 80.0 8.393 8.393 7.621 0.000 -0.000 -0.000 3/62208 90.0 7.497 7.497 6.758 0.000 -0.000 -0.000 3/62208 100.0 6.793 6.793 6.069 0.000 -0.000 -0.000 3/62208 110.0 6.223 6.223 5.507 0.000 -0.000 -0.000 3/62208 120.0 5.749 5.749 5.040 0.000 -0.000 -0.000 3/62208 130.0 5.349 5.349 4.645 0.000 -0.000 -0.000 3/62208 140.0 5.004 5.004 4.307 0.000 -0.000 -0.000 3/62208 150.0 4.704 4.704 4.015 0.000 -0.000 -0.000 3/62208 160.0 4.440 4.440 3.761 0.000 -0.000 -0.000 3/62208 170.0 4.205 4.205 3.537 0.000 -0.000 -0.000 3/62208 180.0 3.995 3.995 3.338 0.000 -0.000 -0.000 3/62208 190.0 3.806 3.806 3.161 0.000 -0.000 -0.000 3/62208 200.0 3.635 3.635 3.002 0.000 -0.000 -0.000 3/62208 210.0 3.479 3.479 2.858 0.000 -0.000 -0.000 3/62208 220.0 3.337 3.337 2.728 0.000 -0.000 -0.000 3/62208 230.0 3.206 3.206 2.610 0.000 -0.000 -0.000 3/62208 240.0 3.085 3.085 2.501 0.000 -0.000 -0.000 3/62208 250.0 2.974 2.974 2.402 0.000 -0.000 -0.000 3/62208 260.0 2.871 2.871 2.311 0.000 -0.000 -0.000 3/62208 270.0 2.775 2.775 2.226 0.000 -0.000 -0.000 3/62208 280.0 2.685 2.685 2.148 0.000 -0.000 -0.000 3/62208 290.0 2.602 2.602 2.076 0.000 -0.000 -0.000 3/62208 300.0 2.524 2.524 2.008 0.000 -0.000 -0.000 3/62208 310.0 2.450 2.450 1.945 0.000 -0.000 -0.000 3/62208 320.0 2.381 2.381 1.886 0.000 -0.000 -0.000 3/62208 330.0 2.316 2.316 1.831 0.000 -0.000 -0.000 3/62208 340.0 2.255 2.255 1.779 0.000 -0.000 -0.000 3/62208 350.0 2.197 2.197 1.730 0.000 -0.000 -0.000 3/62208 360.0 2.142 2.142 1.684 0.000 -0.000 -0.000 3/62208 370.0 2.090 2.090 1.641 0.000 -0.000 -0.000 3/62208 380.0 2.041 2.041 1.600 0.000 -0.000 -0.000 3/62208 390.0 1.993 1.993 1.561 0.000 -0.000 -0.000 3/62208 400.0 1.949 1.949 1.524 0.000 -0.000 -0.000 3/62208 410.0 1.906 1.906 1.489 0.000 -0.000 -0.000 3/62208 420.0 1.865 1.865 1.455 0.000 -0.000 -0.000 3/62208 430.0 1.826 1.826 1.423 0.000 -0.000 -0.000 3/62208 440.0 1.789 1.789 1.393 0.000 -0.000 -0.000 3/62208 450.0 1.753 1.753 1.364 0.000 -0.000 -0.000 3/62208 460.0 1.719 1.719 1.336 0.000 -0.000 -0.000 3/62208 470.0 1.686 1.686 1.310 0.000 -0.000 -0.000 3/62208 480.0 1.654 1.654 1.284 0.000 -0.000 -0.000 3/62208 490.0 1.624 1.624 1.260 0.000 -0.000 -0.000 3/62208 500.0 1.595 1.595 1.236 0.000 -0.000 -0.000 3/62208 510.0 1.566 1.566 1.213 0.000 -0.000 -0.000 3/62208 520.0 1.539 1.539 1.192 0.000 -0.000 -0.000 3/62208 530.0 1.513 1.513 1.171 0.000 -0.000 -0.000 3/62208 540.0 1.488 1.488 1.151 0.000 -0.000 -0.000 3/62208 550.0 1.463 1.463 1.131 0.000 -0.000 -0.000 3/62208 560.0 1.440 1.440 1.112 0.000 -0.000 -0.000 3/62208 570.0 1.417 1.417 1.094 0.000 -0.000 -0.000 3/62208 580.0 1.395 1.395 1.077 0.000 -0.000 -0.000 3/62208 590.0 1.373 1.373 1.060 0.000 -0.000 -0.000 3/62208 600.0 1.352 1.352 1.043 0.000 -0.000 -0.000 3/62208 610.0 1.332 1.332 1.028 0.000 -0.000 -0.000 3/62208 620.0 1.313 1.313 1.012 0.000 -0.000 -0.000 3/62208 630.0 1.294 1.294 0.997 0.000 -0.000 -0.000 3/62208 640.0 1.275 1.275 0.983 0.000 -0.000 -0.000 3/62208 650.0 1.257 1.257 0.969 0.000 -0.000 -0.000 3/62208 660.0 1.240 1.240 0.955 0.000 -0.000 -0.000 3/62208 670.0 1.223 1.223 0.942 0.000 -0.000 -0.000 3/62208 680.0 1.207 1.207 0.929 0.000 -0.000 -0.000 3/62208 690.0 1.191 1.191 0.917 0.000 -0.000 -0.000 3/62208 700.0 1.175 1.175 0.904 0.000 -0.000 -0.000 3/62208 710.0 1.160 1.160 0.892 0.000 -0.000 -0.000 3/62208 720.0 1.145 1.145 0.881 0.000 -0.000 -0.000 3/62208 730.0 1.131 1.131 0.870 0.000 -0.000 -0.000 3/62208 740.0 1.117 1.117 0.859 0.000 -0.000 -0.000 3/62208 750.0 1.103 1.103 0.848 0.000 -0.000 -0.000 3/62208 760.0 1.090 1.090 0.838 0.000 -0.000 -0.000 3/62208 770.0 1.077 1.077 0.828 0.000 -0.000 -0.000 3/62208 780.0 1.064 1.064 0.818 0.000 -0.000 -0.000 3/62208 790.0 1.051 1.051 0.808 0.000 -0.000 -0.000 3/62208 800.0 1.039 1.039 0.799 0.000 -0.000 -0.000 3/62208 810.0 1.027 1.027 0.789 0.000 -0.000 -0.000 3/62208 820.0 1.016 1.016 0.780 0.000 -0.000 -0.000 3/62208 830.0 1.004 1.004 0.772 0.000 -0.000 -0.000 3/62208 840.0 0.993 0.993 0.763 0.000 -0.000 -0.000 3/62208 850.0 0.983 0.983 0.755 0.000 -0.000 -0.000 3/62208 860.0 0.972 0.972 0.746 0.000 -0.000 -0.000 3/62208 870.0 0.962 0.962 0.738 0.000 -0.000 -0.000 3/62208 880.0 0.951 0.951 0.730 0.000 -0.000 -0.000 3/62208 890.0 0.941 0.941 0.723 0.000 -0.000 -0.000 3/62208 900.0 0.932 0.932 0.715 0.000 -0.000 -0.000 3/62208 910.0 0.922 0.922 0.708 0.000 -0.000 -0.000 3/62208 920.0 0.913 0.913 0.701 0.000 -0.000 -0.000 3/62208 930.0 0.904 0.904 0.694 0.000 -0.000 -0.000 3/62208 940.0 0.895 0.895 0.687 0.000 -0.000 -0.000 3/62208 950.0 0.886 0.886 0.680 0.000 -0.000 -0.000 3/62208 960.0 0.877 0.877 0.673 0.000 -0.000 -0.000 3/62208 970.0 0.869 0.869 0.667 0.000 -0.000 -0.000 3/62208 980.0 0.860 0.860 0.660 0.000 -0.000 -0.000 3/62208 990.0 0.852 0.852 0.654 0.000 -0.000 -0.000 3/62208 1000.0 0.844 0.844 0.648 0.000 -0.000 -0.000 3/62208 Thermal conductivity related properties were written into "kappa-m121212.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:47:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|