----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:05:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.442556750000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.997287160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.373698500000000 Atomic positions (fractional): *1 Dy 0.01878627346144 0.25000000000000 0.75650109266468 162.500 2 Dy 0.48121372653856 0.75000000000000 0.25650109266468 162.500 3 Dy 0.98121372653856 0.75000000000000 0.24349890733532 162.500 4 Dy 0.51878627346144 0.25000000000000 0.74349890733532 162.500 *5 Cu 0.23722269381453 0.25000000000000 0.27961003785977 63.546 6 Cu 0.76277730618547 0.75000000000000 0.72038996214023 63.546 7 Cu 0.26277730618547 0.75000000000000 0.77961003785977 63.546 8 Cu 0.73722269381453 0.25000000000000 0.22038996214022 63.546 *9 Pb 0.72454917037660 0.75000000000000 0.00611808700296 207.200 10 Pb 0.77545082962340 0.25000000000000 0.50611808700296 207.200 11 Pb 0.27545082962340 0.25000000000000 0.99388191299704 207.200 12 Pb 0.22454917037660 0.75000000000000 0.49388191299704 207.200 *13 Se 0.73488675543322 0.75000000000000 0.32984910723390 78.960 *14 Se 0.04732080176228 0.25000000000000 0.38715809549096 78.960 15 Se 0.45267919823773 0.75000000000000 0.88715809549096 78.960 16 Se 0.23488675543321 0.75000000000000 0.17015089276610 78.960 *17 Se 0.58495457563580 0.75000000000000 0.60414034328984 78.960 18 Se 0.41504542436420 0.25000000000000 0.39585965671016 78.960 19 Se 0.95267919823772 0.75000000000000 0.61284190450904 78.960 20 Se 0.91504542436420 0.25000000000000 0.10414034328984 78.960 21 Se 0.54732080176228 0.25000000000000 0.11284190450904 78.960 22 Se 0.76511324456678 0.25000000000000 0.82984910723390 78.960 23 Se 0.26511324456678 0.25000000000000 0.67015089276610 78.960 24 Se 0.08495457563580 0.75000000000000 0.89585965671016 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.442556750000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.997287160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.373698500000000 Atomic positions (fractional): *1 Dy 0.01878627346144 0.25000000000000 0.75650109266468 162.500 > 1 2 Dy 0.48121372653856 0.75000000000000 0.25650109266468 162.500 > 2 3 Dy 0.98121372653856 0.75000000000000 0.24349890733532 162.500 > 3 4 Dy 0.51878627346144 0.25000000000000 0.74349890733532 162.500 > 4 *5 Cu 0.23722269381453 0.25000000000000 0.27961003785977 63.546 > 5 6 Cu 0.76277730618547 0.75000000000000 0.72038996214023 63.546 > 6 7 Cu 0.26277730618547 0.75000000000000 0.77961003785977 63.546 > 7 8 Cu 0.73722269381453 0.25000000000000 0.22038996214022 63.546 > 8 *9 Pb 0.72454917037660 0.75000000000000 0.00611808700296 207.200 > 9 10 Pb 0.77545082962340 0.25000000000000 0.50611808700296 207.200 > 10 11 Pb 0.27545082962340 0.25000000000000 0.99388191299704 207.200 > 11 12 Pb 0.22454917037660 0.75000000000000 0.49388191299704 207.200 > 12 *13 Se 0.73488675543322 0.75000000000000 0.32984910723390 78.960 > 13 *14 Se 0.04732080176228 0.25000000000000 0.38715809549096 78.960 > 14 15 Se 0.45267919823773 0.75000000000000 0.88715809549096 78.960 > 15 16 Se 0.23488675543321 0.75000000000000 0.17015089276610 78.960 > 16 *17 Se 0.58495457563580 0.75000000000000 0.60414034328984 78.960 > 17 18 Se 0.41504542436420 0.25000000000000 0.39585965671016 78.960 > 18 19 Se 0.95267919823772 0.75000000000000 0.61284190450904 78.960 > 19 20 Se 0.91504542436420 0.25000000000000 0.10414034328984 78.960 > 20 21 Se 0.54732080176228 0.25000000000000 0.11284190450904 78.960 > 21 22 Se 0.76511324456678 0.25000000000000 0.82984910723390 78.960 > 22 23 Se 0.26511324456678 0.25000000000000 0.67015089276610 78.960 > 23 24 Se 0.08495457563580 0.75000000000000 0.89585965671016 78.960 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 20.885113499999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.991861480000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.373698500000000 Atomic positions (fractional): *1 Dy 0.00939313673072 0.08333333333333 0.75650109266468 162.500 > 1 2 Dy 0.50939313673072 0.08333333333333 0.75650109266468 162.500 > 1 3 Dy 0.00939313673072 0.41666666666667 0.75650109266468 162.500 > 1 4 Dy 0.50939313673072 0.41666666666667 0.75650109266468 162.500 > 1 5 Dy 0.00939313673072 0.75000000000000 0.75650109266468 162.500 > 1 6 Dy 0.50939313673072 0.75000000000000 0.75650109266468 162.500 > 1 7 Dy 0.24060686326928 0.25000000000000 0.25650109266468 162.500 > 2 8 Dy 0.74060686326928 0.25000000000000 0.25650109266468 162.500 > 2 9 Dy 0.24060686326928 0.58333333333333 0.25650109266468 162.500 > 2 10 Dy 0.74060686326928 0.58333333333333 0.25650109266468 162.500 > 2 11 Dy 0.24060686326928 0.91666666666667 0.25650109266468 162.500 > 2 12 Dy 0.74060686326928 0.91666666666667 0.25650109266468 162.500 > 2 13 Dy 0.49060686326928 0.25000000000000 0.24349890733532 162.500 > 3 14 Dy 0.99060686326928 0.25000000000000 0.24349890733532 162.500 > 3 15 Dy 0.49060686326928 0.58333333333333 0.24349890733532 162.500 > 3 16 Dy 0.99060686326928 0.58333333333333 0.24349890733532 162.500 > 3 17 Dy 0.49060686326928 0.91666666666667 0.24349890733532 162.500 > 3 18 Dy 0.99060686326928 0.91666666666667 0.24349890733532 162.500 > 3 19 Dy 0.25939313673072 0.08333333333333 0.74349890733532 162.500 > 4 20 Dy 0.75939313673072 0.08333333333333 0.74349890733532 162.500 > 4 21 Dy 0.25939313673072 0.41666666666667 0.74349890733532 162.500 > 4 22 Dy 0.75939313673072 0.41666666666667 0.74349890733532 162.500 > 4 23 Dy 0.25939313673072 0.75000000000000 0.74349890733532 162.500 > 4 24 Dy 0.75939313673072 0.75000000000000 0.74349890733532 162.500 > 4 *25 Cu 0.11861134690726 0.08333333333333 0.27961003785977 63.546 > 5 26 Cu 0.61861134690726 0.08333333333333 0.27961003785977 63.546 > 5 27 Cu 0.11861134690726 0.41666666666667 0.27961003785977 63.546 > 5 28 Cu 0.61861134690726 0.41666666666667 0.27961003785977 63.546 > 5 29 Cu 0.11861134690726 0.75000000000000 0.27961003785977 63.546 > 5 30 Cu 0.61861134690726 0.75000000000000 0.27961003785977 63.546 > 5 31 Cu 0.38138865309274 0.25000000000000 0.72038996214023 63.546 > 6 32 Cu 0.88138865309274 0.25000000000000 0.72038996214023 63.546 > 6 33 Cu 0.38138865309274 0.58333333333333 0.72038996214023 63.546 > 6 34 Cu 0.88138865309274 0.58333333333333 0.72038996214023 63.546 > 6 35 Cu 0.38138865309274 0.91666666666667 0.72038996214023 63.546 > 6 36 Cu 0.88138865309274 0.91666666666667 0.72038996214023 63.546 > 6 37 Cu 0.13138865309274 0.25000000000000 0.77961003785977 63.546 > 7 38 Cu 0.63138865309274 0.25000000000000 0.77961003785977 63.546 > 7 39 Cu 0.13138865309274 0.58333333333333 0.77961003785977 63.546 > 7 40 Cu 0.63138865309274 0.58333333333333 0.77961003785977 63.546 > 7 41 Cu 0.13138865309274 0.91666666666667 0.77961003785977 63.546 > 7 42 Cu 0.63138865309274 0.91666666666667 0.77961003785977 63.546 > 7 43 Cu 0.36861134690726 0.08333333333333 0.22038996214022 63.546 > 8 44 Cu 0.86861134690726 0.08333333333333 0.22038996214022 63.546 > 8 45 Cu 0.36861134690726 0.41666666666667 0.22038996214022 63.546 > 8 46 Cu 0.86861134690726 0.41666666666667 0.22038996214022 63.546 > 8 47 Cu 0.36861134690726 0.75000000000000 0.22038996214022 63.546 > 8 48 Cu 0.86861134690726 0.75000000000000 0.22038996214022 63.546 > 8 *49 Pb 0.36227458518830 0.25000000000000 0.00611808700296 207.200 > 9 50 Pb 0.86227458518830 0.25000000000000 0.00611808700296 207.200 > 9 51 Pb 0.36227458518830 0.58333333333333 0.00611808700296 207.200 > 9 52 Pb 0.86227458518830 0.58333333333333 0.00611808700296 207.200 > 9 53 Pb 0.36227458518830 0.91666666666667 0.00611808700296 207.200 > 9 54 Pb 0.86227458518830 0.91666666666667 0.00611808700296 207.200 > 9 55 Pb 0.38772541481170 0.08333333333333 0.50611808700296 207.200 > 10 56 Pb 0.88772541481170 0.08333333333333 0.50611808700296 207.200 > 10 57 Pb 0.38772541481170 0.41666666666667 0.50611808700296 207.200 > 10 58 Pb 0.88772541481170 0.41666666666667 0.50611808700296 207.200 > 10 59 Pb 0.38772541481170 0.75000000000000 0.50611808700296 207.200 > 10 60 Pb 0.88772541481170 0.75000000000000 0.50611808700296 207.200 > 10 61 Pb 0.13772541481170 0.08333333333333 0.99388191299704 207.200 > 11 62 Pb 0.63772541481170 0.08333333333333 0.99388191299704 207.200 > 11 63 Pb 0.13772541481170 0.41666666666667 0.99388191299704 207.200 > 11 64 Pb 0.63772541481170 0.41666666666667 0.99388191299704 207.200 > 11 65 Pb 0.13772541481170 0.75000000000000 0.99388191299704 207.200 > 11 66 Pb 0.63772541481170 0.75000000000000 0.99388191299704 207.200 > 11 67 Pb 0.11227458518830 0.25000000000000 0.49388191299704 207.200 > 12 68 Pb 0.61227458518830 0.25000000000000 0.49388191299704 207.200 > 12 69 Pb 0.11227458518830 0.58333333333333 0.49388191299704 207.200 > 12 70 Pb 0.61227458518830 0.58333333333333 0.49388191299704 207.200 > 12 71 Pb 0.11227458518830 0.91666666666667 0.49388191299704 207.200 > 12 72 Pb 0.61227458518830 0.91666666666667 0.49388191299704 207.200 > 12 *73 Se 0.36744337771661 0.25000000000000 0.32984910723390 78.960 > 13 74 Se 0.86744337771661 0.25000000000000 0.32984910723390 78.960 > 13 75 Se 0.36744337771661 0.58333333333333 0.32984910723390 78.960 > 13 76 Se 0.86744337771661 0.58333333333333 0.32984910723390 78.960 > 13 77 Se 0.36744337771661 0.91666666666667 0.32984910723390 78.960 > 13 78 Se 0.86744337771661 0.91666666666667 0.32984910723390 78.960 > 13 *79 Se 0.02366040088114 0.08333333333333 0.38715809549096 78.960 > 14 80 Se 0.52366040088114 0.08333333333333 0.38715809549096 78.960 > 14 81 Se 0.02366040088114 0.41666666666667 0.38715809549096 78.960 > 14 82 Se 0.52366040088114 0.41666666666667 0.38715809549096 78.960 > 14 83 Se 0.02366040088114 0.75000000000000 0.38715809549096 78.960 > 14 84 Se 0.52366040088114 0.75000000000000 0.38715809549096 78.960 > 14 85 Se 0.22633959911886 0.25000000000000 0.88715809549096 78.960 > 15 86 Se 0.72633959911886 0.25000000000000 0.88715809549096 78.960 > 15 87 Se 0.22633959911886 0.58333333333333 0.88715809549096 78.960 > 15 88 Se 0.72633959911886 0.58333333333333 0.88715809549096 78.960 > 15 89 Se 0.22633959911886 0.91666666666667 0.88715809549096 78.960 > 15 90 Se 0.72633959911886 0.91666666666667 0.88715809549096 78.960 > 15 91 Se 0.11744337771661 0.25000000000000 0.17015089276610 78.960 > 16 92 Se 0.61744337771661 0.25000000000000 0.17015089276610 78.960 > 16 93 Se 0.11744337771661 0.58333333333333 0.17015089276610 78.960 > 16 94 Se 0.61744337771661 0.58333333333333 0.17015089276610 78.960 > 16 95 Se 0.11744337771661 0.91666666666667 0.17015089276610 78.960 > 16 96 Se 0.61744337771661 0.91666666666667 0.17015089276610 78.960 > 16 *97 Se 0.29247728781790 0.25000000000000 0.60414034328984 78.960 > 17 98 Se 0.79247728781790 0.25000000000000 0.60414034328984 78.960 > 17 99 Se 0.29247728781790 0.58333333333333 0.60414034328984 78.960 > 17 100 Se 0.79247728781790 0.58333333333333 0.60414034328984 78.960 > 17 101 Se 0.29247728781790 0.91666666666667 0.60414034328984 78.960 > 17 102 Se 0.79247728781790 0.91666666666667 0.60414034328984 78.960 > 17 103 Se 0.20752271218210 0.08333333333333 0.39585965671016 78.960 > 18 104 Se 0.70752271218210 0.08333333333333 0.39585965671016 78.960 > 18 105 Se 0.20752271218210 0.41666666666667 0.39585965671016 78.960 > 18 106 Se 0.70752271218210 0.41666666666667 0.39585965671016 78.960 > 18 107 Se 0.20752271218210 0.75000000000000 0.39585965671016 78.960 > 18 108 Se 0.70752271218210 0.75000000000000 0.39585965671016 78.960 > 18 109 Se 0.47633959911886 0.25000000000000 0.61284190450904 78.960 > 19 110 Se 0.97633959911886 0.25000000000000 0.61284190450904 78.960 > 19 111 Se 0.47633959911886 0.58333333333333 0.61284190450904 78.960 > 19 112 Se 0.97633959911886 0.58333333333333 0.61284190450904 78.960 > 19 113 Se 0.47633959911886 0.91666666666667 0.61284190450904 78.960 > 19 114 Se 0.97633959911886 0.91666666666667 0.61284190450904 78.960 > 19 115 Se 0.45752271218210 0.08333333333333 0.10414034328984 78.960 > 20 116 Se 0.95752271218210 0.08333333333333 0.10414034328984 78.960 > 20 117 Se 0.45752271218210 0.41666666666667 0.10414034328984 78.960 > 20 118 Se 0.95752271218210 0.41666666666667 0.10414034328984 78.960 > 20 119 Se 0.45752271218210 0.75000000000000 0.10414034328984 78.960 > 20 120 Se 0.95752271218210 0.75000000000000 0.10414034328984 78.960 > 20 121 Se 0.27366040088114 0.08333333333333 0.11284190450904 78.960 > 21 122 Se 0.77366040088114 0.08333333333333 0.11284190450904 78.960 > 21 123 Se 0.27366040088114 0.41666666666667 0.11284190450904 78.960 > 21 124 Se 0.77366040088114 0.41666666666667 0.11284190450904 78.960 > 21 125 Se 0.27366040088114 0.75000000000000 0.11284190450904 78.960 > 21 126 Se 0.77366040088114 0.75000000000000 0.11284190450904 78.960 > 21 127 Se 0.38255662228339 0.08333333333333 0.82984910723390 78.960 > 22 128 Se 0.88255662228339 0.08333333333333 0.82984910723390 78.960 > 22 129 Se 0.38255662228339 0.41666666666667 0.82984910723390 78.960 > 22 130 Se 0.88255662228339 0.41666666666667 0.82984910723390 78.960 > 22 131 Se 0.38255662228339 0.75000000000000 0.82984910723390 78.960 > 22 132 Se 0.88255662228339 0.75000000000000 0.82984910723390 78.960 > 22 133 Se 0.13255662228339 0.08333333333333 0.67015089276610 78.960 > 23 134 Se 0.63255662228339 0.08333333333333 0.67015089276610 78.960 > 23 135 Se 0.13255662228339 0.41666666666667 0.67015089276610 78.960 > 23 136 Se 0.63255662228339 0.41666666666667 0.67015089276610 78.960 > 23 137 Se 0.13255662228339 0.75000000000000 0.67015089276610 78.960 > 23 138 Se 0.63255662228339 0.75000000000000 0.67015089276610 78.960 > 23 139 Se 0.04247728781790 0.25000000000000 0.89585965671016 78.960 > 24 140 Se 0.54247728781790 0.25000000000000 0.89585965671016 78.960 > 24 141 Se 0.04247728781790 0.58333333333333 0.89585965671016 78.960 > 24 142 Se 0.54247728781790 0.58333333333333 0.89585965671016 78.960 > 24 143 Se 0.04247728781790 0.91666666666667 0.89585965671016 78.960 > 24 144 Se 0.54247728781790 0.91666666666667 0.89585965671016 78.960 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.4469561 0.0000000 0.0000000 0.0000000 13.8429432 0.0000000 0.0000000 0.0000000 11.9876953 -------------------------- Born effective charges -------------------------- 1 Dy 5.0418480 0.0000000 1.0445661 0.0000000 4.5340002 0.0000000 -0.3900454 0.0000000 3.3315833 2 Dy 5.0418480 0.0000000 -1.0445661 0.0000000 4.5340002 0.0000000 0.3900454 0.0000000 3.3315833 3 Dy 5.0418480 0.0000000 1.0445661 0.0000000 4.5340002 0.0000000 -0.3900454 0.0000000 3.3315833 4 Dy 5.0418480 0.0000000 -1.0445661 0.0000000 4.5340002 0.0000000 0.3900454 0.0000000 3.3315833 5 Cu 0.3237201 0.0000000 -0.2123028 0.0000000 0.9037546 0.0000000 -0.1629166 0.0000000 0.7997630 6 Cu 0.3237201 0.0000000 -0.2123028 0.0000000 0.9037546 0.0000000 -0.1629166 0.0000000 0.7997630 7 Cu 0.3237201 0.0000000 0.2123028 0.0000000 0.9037546 0.0000000 0.1629166 0.0000000 0.7997630 8 Cu 0.3237201 0.0000000 0.2123028 0.0000000 0.9037546 0.0000000 0.1629166 0.0000000 0.7997630 9 Pb 3.9297606 0.0000000 0.0334824 0.0000000 5.0396117 0.0000000 0.4355811 0.0000000 4.6421782 10 Pb 3.9297606 0.0000000 -0.0334824 0.0000000 5.0396117 0.0000000 -0.4355811 0.0000000 4.6421782 11 Pb 3.9297606 0.0000000 0.0334824 0.0000000 5.0396117 0.0000000 0.4355811 0.0000000 4.6421782 12 Pb 3.9297606 0.0000000 -0.0334824 0.0000000 5.0396117 0.0000000 -0.4355811 0.0000000 4.6421782 13 Se -3.7365845 0.0000000 -0.4859371 0.0000000 -2.7714317 0.0000000 -0.2380528 0.0000000 -2.8072700 14 Se -3.0208001 0.0000000 -0.6918202 0.0000000 -3.8530882 0.0000000 -0.1041688 0.0000000 -3.1549673 15 Se -3.0208001 0.0000000 0.6918202 0.0000000 -3.8530882 0.0000000 0.1041688 0.0000000 -3.1549673 16 Se -3.7365845 0.0000000 0.4859371 0.0000000 -2.7714317 0.0000000 0.2380528 0.0000000 -2.8072700 17 Se -2.5379441 0.0000000 1.4191380 0.0000000 -3.8528466 0.0000000 0.7514953 0.0000000 -2.8112872 18 Se -2.5379441 0.0000000 1.4191380 0.0000000 -3.8528466 0.0000000 0.7514953 0.0000000 -2.8112872 19 Se -3.0208001 0.0000000 -0.6918202 0.0000000 -3.8530882 0.0000000 -0.1041688 0.0000000 -3.1549673 20 Se -2.5379441 0.0000000 -1.4191380 0.0000000 -3.8528466 0.0000000 -0.7514953 0.0000000 -2.8112872 21 Se -3.0208001 0.0000000 0.6918202 0.0000000 -3.8530882 0.0000000 0.1041688 0.0000000 -3.1549673 22 Se -3.7365845 0.0000000 0.4859371 0.0000000 -2.7714317 0.0000000 0.2380528 0.0000000 -2.8072700 23 Se -3.7365845 0.0000000 -0.4859371 0.0000000 -2.7714317 0.0000000 -0.2380528 0.0000000 -2.8072700 24 Se -2.5379441 0.0000000 -1.4191380 0.0000000 -3.8528466 0.0000000 -0.7514953 0.0000000 -2.8112872 ---------------------------------------------------------------------------- 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: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2124 Number of blocks in projector: 2124 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 67 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2124, 2094), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 67), data: True |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 0.744 Solver_block: 200 / 400 - Time: 0.700 Solver_block: 300 / 400 - Time: 0.704 Solver_block: 400 / 400 - Time: 0.704 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.927 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2124 Number of blocks in projector: 2124 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 67 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2124, 2094), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 67), data: True |-- (250, 238), data: True |-- (250, 238), 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 20:05:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:05:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.442556750000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.997287160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.373698500000000 Atomic positions (fractional): 1 Dy 0.01878627346144 0.25000000000000 0.75650109266468 162.500 2 Dy 0.48121372653856 0.75000000000000 0.25650109266468 162.500 3 Dy 0.98121372653856 0.75000000000000 0.24349890733532 162.500 4 Dy 0.51878627346144 0.25000000000000 0.74349890733532 162.500 5 Cu 0.23722269381453 0.25000000000000 0.27961003785977 63.546 6 Cu 0.76277730618547 0.75000000000000 0.72038996214023 63.546 7 Cu 0.26277730618547 0.75000000000000 0.77961003785977 63.546 8 Cu 0.73722269381453 0.25000000000000 0.22038996214022 63.546 9 Pb 0.72454917037660 0.75000000000000 0.00611808700296 207.200 10 Pb 0.77545082962340 0.25000000000000 0.50611808700296 207.200 11 Pb 0.27545082962340 0.25000000000000 0.99388191299704 207.200 12 Pb 0.22454917037660 0.75000000000000 0.49388191299704 207.200 13 Se 0.73488675543322 0.75000000000000 0.32984910723390 78.960 14 Se 0.04732080176228 0.25000000000000 0.38715809549096 78.960 15 Se 0.45267919823773 0.75000000000000 0.88715809549096 78.960 16 Se 0.23488675543321 0.75000000000000 0.17015089276610 78.960 17 Se 0.58495457563580 0.75000000000000 0.60414034328984 78.960 18 Se 0.41504542436420 0.25000000000000 0.39585965671016 78.960 19 Se 0.95267919823772 0.75000000000000 0.61284190450904 78.960 20 Se 0.91504542436420 0.25000000000000 0.10414034328984 78.960 21 Se 0.54732080176228 0.25000000000000 0.11284190450904 78.960 22 Se 0.76511324456678 0.25000000000000 0.82984910723390 78.960 23 Se 0.26511324456678 0.25000000000000 0.67015089276610 78.960 24 Se 0.08495457563580 0.75000000000000 0.89585965671016 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 20.885113499999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.991861480000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.373698500000000 Atomic positions (fractional): 1 Dy 0.00939313673072 0.08333333333333 0.75650109266468 162.500 > 1 2 Dy 0.50939313673072 0.08333333333333 0.75650109266468 162.500 > 1 3 Dy 0.00939313673072 0.41666666666667 0.75650109266468 162.500 > 1 4 Dy 0.50939313673072 0.41666666666667 0.75650109266468 162.500 > 1 5 Dy 0.00939313673072 0.75000000000000 0.75650109266468 162.500 > 1 6 Dy 0.50939313673072 0.75000000000000 0.75650109266468 162.500 > 1 7 Dy 0.24060686326928 0.25000000000000 0.25650109266468 162.500 > 7 8 Dy 0.74060686326928 0.25000000000000 0.25650109266468 162.500 > 7 9 Dy 0.24060686326928 0.58333333333333 0.25650109266468 162.500 > 7 10 Dy 0.74060686326928 0.58333333333333 0.25650109266468 162.500 > 7 11 Dy 0.24060686326928 0.91666666666667 0.25650109266468 162.500 > 7 12 Dy 0.74060686326928 0.91666666666667 0.25650109266468 162.500 > 7 13 Dy 0.49060686326928 0.25000000000000 0.24349890733532 162.500 > 13 14 Dy 0.99060686326928 0.25000000000000 0.24349890733532 162.500 > 13 15 Dy 0.49060686326928 0.58333333333333 0.24349890733532 162.500 > 13 16 Dy 0.99060686326928 0.58333333333333 0.24349890733532 162.500 > 13 17 Dy 0.49060686326928 0.91666666666667 0.24349890733532 162.500 > 13 18 Dy 0.99060686326928 0.91666666666667 0.24349890733532 162.500 > 13 19 Dy 0.25939313673072 0.08333333333333 0.74349890733532 162.500 > 19 20 Dy 0.75939313673072 0.08333333333333 0.74349890733532 162.500 > 19 21 Dy 0.25939313673072 0.41666666666667 0.74349890733532 162.500 > 19 22 Dy 0.75939313673072 0.41666666666667 0.74349890733532 162.500 > 19 23 Dy 0.25939313673072 0.75000000000000 0.74349890733532 162.500 > 19 24 Dy 0.75939313673072 0.75000000000000 0.74349890733532 162.500 > 19 25 Cu 0.11861134690726 0.08333333333333 0.27961003785977 63.546 > 25 26 Cu 0.61861134690726 0.08333333333333 0.27961003785977 63.546 > 25 27 Cu 0.11861134690726 0.41666666666667 0.27961003785977 63.546 > 25 28 Cu 0.61861134690726 0.41666666666667 0.27961003785977 63.546 > 25 29 Cu 0.11861134690726 0.75000000000000 0.27961003785977 63.546 > 25 30 Cu 0.61861134690726 0.75000000000000 0.27961003785977 63.546 > 25 31 Cu 0.38138865309274 0.25000000000000 0.72038996214023 63.546 > 31 32 Cu 0.88138865309274 0.25000000000000 0.72038996214023 63.546 > 31 33 Cu 0.38138865309274 0.58333333333333 0.72038996214023 63.546 > 31 34 Cu 0.88138865309274 0.58333333333333 0.72038996214023 63.546 > 31 35 Cu 0.38138865309274 0.91666666666667 0.72038996214023 63.546 > 31 36 Cu 0.88138865309274 0.91666666666667 0.72038996214023 63.546 > 31 37 Cu 0.13138865309274 0.25000000000000 0.77961003785977 63.546 > 37 38 Cu 0.63138865309274 0.25000000000000 0.77961003785977 63.546 > 37 39 Cu 0.13138865309274 0.58333333333333 0.77961003785977 63.546 > 37 40 Cu 0.63138865309274 0.58333333333333 0.77961003785977 63.546 > 37 41 Cu 0.13138865309274 0.91666666666667 0.77961003785977 63.546 > 37 42 Cu 0.63138865309274 0.91666666666667 0.77961003785977 63.546 > 37 43 Cu 0.36861134690726 0.08333333333333 0.22038996214022 63.546 > 43 44 Cu 0.86861134690726 0.08333333333333 0.22038996214022 63.546 > 43 45 Cu 0.36861134690726 0.41666666666667 0.22038996214022 63.546 > 43 46 Cu 0.86861134690726 0.41666666666667 0.22038996214022 63.546 > 43 47 Cu 0.36861134690726 0.75000000000000 0.22038996214022 63.546 > 43 48 Cu 0.86861134690726 0.75000000000000 0.22038996214022 63.546 > 43 49 Pb 0.36227458518830 0.25000000000000 0.00611808700296 207.200 > 49 50 Pb 0.86227458518830 0.25000000000000 0.00611808700296 207.200 > 49 51 Pb 0.36227458518830 0.58333333333333 0.00611808700296 207.200 > 49 52 Pb 0.86227458518830 0.58333333333333 0.00611808700296 207.200 > 49 53 Pb 0.36227458518830 0.91666666666667 0.00611808700296 207.200 > 49 54 Pb 0.86227458518830 0.91666666666667 0.00611808700296 207.200 > 49 55 Pb 0.38772541481170 0.08333333333333 0.50611808700296 207.200 > 55 56 Pb 0.88772541481170 0.08333333333333 0.50611808700296 207.200 > 55 57 Pb 0.38772541481170 0.41666666666667 0.50611808700296 207.200 > 55 58 Pb 0.88772541481170 0.41666666666667 0.50611808700296 207.200 > 55 59 Pb 0.38772541481170 0.75000000000000 0.50611808700296 207.200 > 55 60 Pb 0.88772541481170 0.75000000000000 0.50611808700296 207.200 > 55 61 Pb 0.13772541481170 0.08333333333333 0.99388191299704 207.200 > 61 62 Pb 0.63772541481170 0.08333333333333 0.99388191299704 207.200 > 61 63 Pb 0.13772541481170 0.41666666666667 0.99388191299704 207.200 > 61 64 Pb 0.63772541481170 0.41666666666667 0.99388191299704 207.200 > 61 65 Pb 0.13772541481170 0.75000000000000 0.99388191299704 207.200 > 61 66 Pb 0.63772541481170 0.75000000000000 0.99388191299704 207.200 > 61 67 Pb 0.11227458518830 0.25000000000000 0.49388191299704 207.200 > 67 68 Pb 0.61227458518830 0.25000000000000 0.49388191299704 207.200 > 67 69 Pb 0.11227458518830 0.58333333333333 0.49388191299704 207.200 > 67 70 Pb 0.61227458518830 0.58333333333333 0.49388191299704 207.200 > 67 71 Pb 0.11227458518830 0.91666666666667 0.49388191299704 207.200 > 67 72 Pb 0.61227458518830 0.91666666666667 0.49388191299704 207.200 > 67 73 Se 0.36744337771661 0.25000000000000 0.32984910723390 78.960 > 73 74 Se 0.86744337771661 0.25000000000000 0.32984910723390 78.960 > 73 75 Se 0.36744337771661 0.58333333333333 0.32984910723390 78.960 > 73 76 Se 0.86744337771661 0.58333333333333 0.32984910723390 78.960 > 73 77 Se 0.36744337771661 0.91666666666667 0.32984910723390 78.960 > 73 78 Se 0.86744337771661 0.91666666666667 0.32984910723390 78.960 > 73 79 Se 0.02366040088114 0.08333333333333 0.38715809549096 78.960 > 79 80 Se 0.52366040088114 0.08333333333333 0.38715809549096 78.960 > 79 81 Se 0.02366040088114 0.41666666666667 0.38715809549096 78.960 > 79 82 Se 0.52366040088114 0.41666666666667 0.38715809549096 78.960 > 79 83 Se 0.02366040088114 0.75000000000000 0.38715809549096 78.960 > 79 84 Se 0.52366040088114 0.75000000000000 0.38715809549096 78.960 > 79 85 Se 0.22633959911886 0.25000000000000 0.88715809549096 78.960 > 85 86 Se 0.72633959911886 0.25000000000000 0.88715809549096 78.960 > 85 87 Se 0.22633959911886 0.58333333333333 0.88715809549096 78.960 > 85 88 Se 0.72633959911886 0.58333333333333 0.88715809549096 78.960 > 85 89 Se 0.22633959911886 0.91666666666667 0.88715809549096 78.960 > 85 90 Se 0.72633959911886 0.91666666666667 0.88715809549096 78.960 > 85 91 Se 0.11744337771661 0.25000000000000 0.17015089276610 78.960 > 91 92 Se 0.61744337771661 0.25000000000000 0.17015089276610 78.960 > 91 93 Se 0.11744337771661 0.58333333333333 0.17015089276610 78.960 > 91 94 Se 0.61744337771661 0.58333333333333 0.17015089276610 78.960 > 91 95 Se 0.11744337771661 0.91666666666667 0.17015089276610 78.960 > 91 96 Se 0.61744337771661 0.91666666666667 0.17015089276610 78.960 > 91 97 Se 0.29247728781790 0.25000000000000 0.60414034328984 78.960 > 97 98 Se 0.79247728781790 0.25000000000000 0.60414034328984 78.960 > 97 99 Se 0.29247728781790 0.58333333333333 0.60414034328984 78.960 > 97 100 Se 0.79247728781790 0.58333333333333 0.60414034328984 78.960 > 97 101 Se 0.29247728781790 0.91666666666667 0.60414034328984 78.960 > 97 102 Se 0.79247728781790 0.91666666666667 0.60414034328984 78.960 > 97 103 Se 0.20752271218210 0.08333333333333 0.39585965671016 78.960 > 103 104 Se 0.70752271218210 0.08333333333333 0.39585965671016 78.960 > 103 105 Se 0.20752271218210 0.41666666666667 0.39585965671016 78.960 > 103 106 Se 0.70752271218210 0.41666666666667 0.39585965671016 78.960 > 103 107 Se 0.20752271218210 0.75000000000000 0.39585965671016 78.960 > 103 108 Se 0.70752271218210 0.75000000000000 0.39585965671016 78.960 > 103 109 Se 0.47633959911886 0.25000000000000 0.61284190450904 78.960 > 109 110 Se 0.97633959911886 0.25000000000000 0.61284190450904 78.960 > 109 111 Se 0.47633959911886 0.58333333333333 0.61284190450904 78.960 > 109 112 Se 0.97633959911886 0.58333333333333 0.61284190450904 78.960 > 109 113 Se 0.47633959911886 0.91666666666667 0.61284190450904 78.960 > 109 114 Se 0.97633959911886 0.91666666666667 0.61284190450904 78.960 > 109 115 Se 0.45752271218210 0.08333333333333 0.10414034328984 78.960 > 115 116 Se 0.95752271218210 0.08333333333333 0.10414034328984 78.960 > 115 117 Se 0.45752271218210 0.41666666666667 0.10414034328984 78.960 > 115 118 Se 0.95752271218210 0.41666666666667 0.10414034328984 78.960 > 115 119 Se 0.45752271218210 0.75000000000000 0.10414034328984 78.960 > 115 120 Se 0.95752271218210 0.75000000000000 0.10414034328984 78.960 > 115 121 Se 0.27366040088114 0.08333333333333 0.11284190450904 78.960 > 121 122 Se 0.77366040088114 0.08333333333333 0.11284190450904 78.960 > 121 123 Se 0.27366040088114 0.41666666666667 0.11284190450904 78.960 > 121 124 Se 0.77366040088114 0.41666666666667 0.11284190450904 78.960 > 121 125 Se 0.27366040088114 0.75000000000000 0.11284190450904 78.960 > 121 126 Se 0.77366040088114 0.75000000000000 0.11284190450904 78.960 > 121 127 Se 0.38255662228339 0.08333333333333 0.82984910723390 78.960 > 127 128 Se 0.88255662228339 0.08333333333333 0.82984910723390 78.960 > 127 129 Se 0.38255662228339 0.41666666666667 0.82984910723390 78.960 > 127 130 Se 0.88255662228339 0.41666666666667 0.82984910723390 78.960 > 127 131 Se 0.38255662228339 0.75000000000000 0.82984910723390 78.960 > 127 132 Se 0.88255662228339 0.75000000000000 0.82984910723390 78.960 > 127 133 Se 0.13255662228339 0.08333333333333 0.67015089276610 78.960 > 133 134 Se 0.63255662228339 0.08333333333333 0.67015089276610 78.960 > 133 135 Se 0.13255662228339 0.41666666666667 0.67015089276610 78.960 > 133 136 Se 0.63255662228339 0.41666666666667 0.67015089276610 78.960 > 133 137 Se 0.13255662228339 0.75000000000000 0.67015089276610 78.960 > 133 138 Se 0.63255662228339 0.75000000000000 0.67015089276610 78.960 > 133 139 Se 0.04247728781790 0.25000000000000 0.89585965671016 78.960 > 139 140 Se 0.54247728781790 0.25000000000000 0.89585965671016 78.960 > 139 141 Se 0.04247728781790 0.58333333333333 0.89585965671016 78.960 > 139 142 Se 0.54247728781790 0.58333333333333 0.89585965671016 78.960 > 139 143 Se 0.04247728781790 0.91666666666667 0.89585965671016 78.960 > 139 144 Se 0.54247728781790 0.91666666666667 0.89585965671016 78.960 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.4469561 0.0000000 0.0000000 0.0000000 13.8429432 0.0000000 0.0000000 0.0000000 11.9876953 -------------------------- Born effective charges -------------------------- 1 Dy 5.0418480 0.0000000 1.0445661 0.0000000 4.5340002 0.0000000 -0.3900454 0.0000000 3.3315833 2 Dy 5.0418480 0.0000000 -1.0445661 0.0000000 4.5340002 0.0000000 0.3900454 0.0000000 3.3315833 3 Dy 5.0418480 0.0000000 1.0445661 0.0000000 4.5340002 0.0000000 -0.3900454 0.0000000 3.3315833 4 Dy 5.0418480 0.0000000 -1.0445661 0.0000000 4.5340002 0.0000000 0.3900454 0.0000000 3.3315833 5 Cu 0.3237201 0.0000000 -0.2123028 0.0000000 0.9037546 0.0000000 -0.1629166 0.0000000 0.7997630 6 Cu 0.3237201 0.0000000 -0.2123028 0.0000000 0.9037546 0.0000000 -0.1629166 0.0000000 0.7997630 7 Cu 0.3237201 0.0000000 0.2123028 0.0000000 0.9037546 0.0000000 0.1629166 0.0000000 0.7997630 8 Cu 0.3237201 0.0000000 0.2123028 0.0000000 0.9037546 0.0000000 0.1629166 0.0000000 0.7997630 9 Pb 3.9297606 0.0000000 0.0334824 0.0000000 5.0396117 0.0000000 0.4355811 0.0000000 4.6421782 10 Pb 3.9297606 0.0000000 -0.0334824 0.0000000 5.0396117 0.0000000 -0.4355811 0.0000000 4.6421782 11 Pb 3.9297606 0.0000000 0.0334824 0.0000000 5.0396117 0.0000000 0.4355811 0.0000000 4.6421782 12 Pb 3.9297606 0.0000000 -0.0334824 0.0000000 5.0396117 0.0000000 -0.4355811 0.0000000 4.6421782 13 Se -3.7365845 0.0000000 -0.4859371 0.0000000 -2.7714317 0.0000000 -0.2380528 0.0000000 -2.8072700 14 Se -3.0208001 0.0000000 -0.6918202 0.0000000 -3.8530882 0.0000000 -0.1041688 0.0000000 -3.1549673 15 Se -3.0208001 0.0000000 0.6918202 0.0000000 -3.8530882 0.0000000 0.1041688 0.0000000 -3.1549673 16 Se -3.7365845 0.0000000 0.4859371 0.0000000 -2.7714317 0.0000000 0.2380528 0.0000000 -2.8072700 17 Se -2.5379441 0.0000000 1.4191380 0.0000000 -3.8528466 0.0000000 0.7514953 0.0000000 -2.8112872 18 Se -2.5379441 0.0000000 1.4191380 0.0000000 -3.8528466 0.0000000 0.7514953 0.0000000 -2.8112872 19 Se -3.0208001 0.0000000 -0.6918202 0.0000000 -3.8530882 0.0000000 -0.1041688 0.0000000 -3.1549673 20 Se -2.5379441 0.0000000 -1.4191380 0.0000000 -3.8528466 0.0000000 -0.7514953 0.0000000 -2.8112872 21 Se -3.0208001 0.0000000 0.6918202 0.0000000 -3.8530882 0.0000000 0.1041688 0.0000000 -3.1549673 22 Se -3.7365845 0.0000000 0.4859371 0.0000000 -2.7714317 0.0000000 0.2380528 0.0000000 -2.8072700 23 Se -3.7365845 0.0000000 -0.4859371 0.0000000 -2.7714317 0.0000000 -0.2380528 0.0000000 -2.8072700 24 Se -2.5379441 0.0000000 -1.4191380 0.0000000 -3.8528466 0.0000000 -0.7514953 0.0000000 -2.8112872 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 79, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:06:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:06:31]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.442556750000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.997287160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.373698500000000 Atomic positions (fractional): 1 Dy 0.01878627346144 0.25000000000000 0.75650109266468 162.500 2 Dy 0.48121372653856 0.75000000000000 0.25650109266468 162.500 3 Dy 0.98121372653856 0.75000000000000 0.24349890733532 162.500 4 Dy 0.51878627346144 0.25000000000000 0.74349890733532 162.500 5 Cu 0.23722269381453 0.25000000000000 0.27961003785977 63.546 6 Cu 0.76277730618547 0.75000000000000 0.72038996214023 63.546 7 Cu 0.26277730618547 0.75000000000000 0.77961003785977 63.546 8 Cu 0.73722269381453 0.25000000000000 0.22038996214022 63.546 9 Pb 0.72454917037660 0.75000000000000 0.00611808700296 207.200 10 Pb 0.77545082962340 0.25000000000000 0.50611808700296 207.200 11 Pb 0.27545082962340 0.25000000000000 0.99388191299704 207.200 12 Pb 0.22454917037660 0.75000000000000 0.49388191299704 207.200 13 Se 0.73488675543322 0.75000000000000 0.32984910723390 78.960 14 Se 0.04732080176228 0.25000000000000 0.38715809549096 78.960 15 Se 0.45267919823773 0.75000000000000 0.88715809549096 78.960 16 Se 0.23488675543321 0.75000000000000 0.17015089276610 78.960 17 Se 0.58495457563580 0.75000000000000 0.60414034328984 78.960 18 Se 0.41504542436420 0.25000000000000 0.39585965671016 78.960 19 Se 0.95267919823772 0.75000000000000 0.61284190450904 78.960 20 Se 0.91504542436420 0.25000000000000 0.10414034328984 78.960 21 Se 0.54732080176228 0.25000000000000 0.11284190450904 78.960 22 Se 0.76511324456678 0.25000000000000 0.82984910723390 78.960 23 Se 0.26511324456678 0.25000000000000 0.67015089276610 78.960 24 Se 0.08495457563580 0.75000000000000 0.89585965671016 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 20.885113499999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.991861480000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.373698500000000 Atomic positions (fractional): 1 Dy 0.00939313673072 0.08333333333333 0.75650109266468 162.500 > 1 2 Dy 0.50939313673072 0.08333333333333 0.75650109266468 162.500 > 1 3 Dy 0.00939313673072 0.41666666666667 0.75650109266468 162.500 > 1 4 Dy 0.50939313673072 0.41666666666667 0.75650109266468 162.500 > 1 5 Dy 0.00939313673072 0.75000000000000 0.75650109266468 162.500 > 1 6 Dy 0.50939313673072 0.75000000000000 0.75650109266468 162.500 > 1 7 Dy 0.24060686326928 0.25000000000000 0.25650109266468 162.500 > 7 8 Dy 0.74060686326928 0.25000000000000 0.25650109266468 162.500 > 7 9 Dy 0.24060686326928 0.58333333333333 0.25650109266468 162.500 > 7 10 Dy 0.74060686326928 0.58333333333333 0.25650109266468 162.500 > 7 11 Dy 0.24060686326928 0.91666666666667 0.25650109266468 162.500 > 7 12 Dy 0.74060686326928 0.91666666666667 0.25650109266468 162.500 > 7 13 Dy 0.49060686326928 0.25000000000000 0.24349890733532 162.500 > 13 14 Dy 0.99060686326928 0.25000000000000 0.24349890733532 162.500 > 13 15 Dy 0.49060686326928 0.58333333333333 0.24349890733532 162.500 > 13 16 Dy 0.99060686326928 0.58333333333333 0.24349890733532 162.500 > 13 17 Dy 0.49060686326928 0.91666666666667 0.24349890733532 162.500 > 13 18 Dy 0.99060686326928 0.91666666666667 0.24349890733532 162.500 > 13 19 Dy 0.25939313673072 0.08333333333333 0.74349890733532 162.500 > 19 20 Dy 0.75939313673072 0.08333333333333 0.74349890733532 162.500 > 19 21 Dy 0.25939313673072 0.41666666666667 0.74349890733532 162.500 > 19 22 Dy 0.75939313673072 0.41666666666667 0.74349890733532 162.500 > 19 23 Dy 0.25939313673072 0.75000000000000 0.74349890733532 162.500 > 19 24 Dy 0.75939313673072 0.75000000000000 0.74349890733532 162.500 > 19 25 Cu 0.11861134690726 0.08333333333333 0.27961003785977 63.546 > 25 26 Cu 0.61861134690726 0.08333333333333 0.27961003785977 63.546 > 25 27 Cu 0.11861134690726 0.41666666666667 0.27961003785977 63.546 > 25 28 Cu 0.61861134690726 0.41666666666667 0.27961003785977 63.546 > 25 29 Cu 0.11861134690726 0.75000000000000 0.27961003785977 63.546 > 25 30 Cu 0.61861134690726 0.75000000000000 0.27961003785977 63.546 > 25 31 Cu 0.38138865309274 0.25000000000000 0.72038996214023 63.546 > 31 32 Cu 0.88138865309274 0.25000000000000 0.72038996214023 63.546 > 31 33 Cu 0.38138865309274 0.58333333333333 0.72038996214023 63.546 > 31 34 Cu 0.88138865309274 0.58333333333333 0.72038996214023 63.546 > 31 35 Cu 0.38138865309274 0.91666666666667 0.72038996214023 63.546 > 31 36 Cu 0.88138865309274 0.91666666666667 0.72038996214023 63.546 > 31 37 Cu 0.13138865309274 0.25000000000000 0.77961003785977 63.546 > 37 38 Cu 0.63138865309274 0.25000000000000 0.77961003785977 63.546 > 37 39 Cu 0.13138865309274 0.58333333333333 0.77961003785977 63.546 > 37 40 Cu 0.63138865309274 0.58333333333333 0.77961003785977 63.546 > 37 41 Cu 0.13138865309274 0.91666666666667 0.77961003785977 63.546 > 37 42 Cu 0.63138865309274 0.91666666666667 0.77961003785977 63.546 > 37 43 Cu 0.36861134690726 0.08333333333333 0.22038996214022 63.546 > 43 44 Cu 0.86861134690726 0.08333333333333 0.22038996214022 63.546 > 43 45 Cu 0.36861134690726 0.41666666666667 0.22038996214022 63.546 > 43 46 Cu 0.86861134690726 0.41666666666667 0.22038996214022 63.546 > 43 47 Cu 0.36861134690726 0.75000000000000 0.22038996214022 63.546 > 43 48 Cu 0.86861134690726 0.75000000000000 0.22038996214022 63.546 > 43 49 Pb 0.36227458518830 0.25000000000000 0.00611808700296 207.200 > 49 50 Pb 0.86227458518830 0.25000000000000 0.00611808700296 207.200 > 49 51 Pb 0.36227458518830 0.58333333333333 0.00611808700296 207.200 > 49 52 Pb 0.86227458518830 0.58333333333333 0.00611808700296 207.200 > 49 53 Pb 0.36227458518830 0.91666666666667 0.00611808700296 207.200 > 49 54 Pb 0.86227458518830 0.91666666666667 0.00611808700296 207.200 > 49 55 Pb 0.38772541481170 0.08333333333333 0.50611808700296 207.200 > 55 56 Pb 0.88772541481170 0.08333333333333 0.50611808700296 207.200 > 55 57 Pb 0.38772541481170 0.41666666666667 0.50611808700296 207.200 > 55 58 Pb 0.88772541481170 0.41666666666667 0.50611808700296 207.200 > 55 59 Pb 0.38772541481170 0.75000000000000 0.50611808700296 207.200 > 55 60 Pb 0.88772541481170 0.75000000000000 0.50611808700296 207.200 > 55 61 Pb 0.13772541481170 0.08333333333333 0.99388191299704 207.200 > 61 62 Pb 0.63772541481170 0.08333333333333 0.99388191299704 207.200 > 61 63 Pb 0.13772541481170 0.41666666666667 0.99388191299704 207.200 > 61 64 Pb 0.63772541481170 0.41666666666667 0.99388191299704 207.200 > 61 65 Pb 0.13772541481170 0.75000000000000 0.99388191299704 207.200 > 61 66 Pb 0.63772541481170 0.75000000000000 0.99388191299704 207.200 > 61 67 Pb 0.11227458518830 0.25000000000000 0.49388191299704 207.200 > 67 68 Pb 0.61227458518830 0.25000000000000 0.49388191299704 207.200 > 67 69 Pb 0.11227458518830 0.58333333333333 0.49388191299704 207.200 > 67 70 Pb 0.61227458518830 0.58333333333333 0.49388191299704 207.200 > 67 71 Pb 0.11227458518830 0.91666666666667 0.49388191299704 207.200 > 67 72 Pb 0.61227458518830 0.91666666666667 0.49388191299704 207.200 > 67 73 Se 0.36744337771661 0.25000000000000 0.32984910723390 78.960 > 73 74 Se 0.86744337771661 0.25000000000000 0.32984910723390 78.960 > 73 75 Se 0.36744337771661 0.58333333333333 0.32984910723390 78.960 > 73 76 Se 0.86744337771661 0.58333333333333 0.32984910723390 78.960 > 73 77 Se 0.36744337771661 0.91666666666667 0.32984910723390 78.960 > 73 78 Se 0.86744337771661 0.91666666666667 0.32984910723390 78.960 > 73 79 Se 0.02366040088114 0.08333333333333 0.38715809549096 78.960 > 79 80 Se 0.52366040088114 0.08333333333333 0.38715809549096 78.960 > 79 81 Se 0.02366040088114 0.41666666666667 0.38715809549096 78.960 > 79 82 Se 0.52366040088114 0.41666666666667 0.38715809549096 78.960 > 79 83 Se 0.02366040088114 0.75000000000000 0.38715809549096 78.960 > 79 84 Se 0.52366040088114 0.75000000000000 0.38715809549096 78.960 > 79 85 Se 0.22633959911886 0.25000000000000 0.88715809549096 78.960 > 85 86 Se 0.72633959911886 0.25000000000000 0.88715809549096 78.960 > 85 87 Se 0.22633959911886 0.58333333333333 0.88715809549096 78.960 > 85 88 Se 0.72633959911886 0.58333333333333 0.88715809549096 78.960 > 85 89 Se 0.22633959911886 0.91666666666667 0.88715809549096 78.960 > 85 90 Se 0.72633959911886 0.91666666666667 0.88715809549096 78.960 > 85 91 Se 0.11744337771661 0.25000000000000 0.17015089276610 78.960 > 91 92 Se 0.61744337771661 0.25000000000000 0.17015089276610 78.960 > 91 93 Se 0.11744337771661 0.58333333333333 0.17015089276610 78.960 > 91 94 Se 0.61744337771661 0.58333333333333 0.17015089276610 78.960 > 91 95 Se 0.11744337771661 0.91666666666667 0.17015089276610 78.960 > 91 96 Se 0.61744337771661 0.91666666666667 0.17015089276610 78.960 > 91 97 Se 0.29247728781790 0.25000000000000 0.60414034328984 78.960 > 97 98 Se 0.79247728781790 0.25000000000000 0.60414034328984 78.960 > 97 99 Se 0.29247728781790 0.58333333333333 0.60414034328984 78.960 > 97 100 Se 0.79247728781790 0.58333333333333 0.60414034328984 78.960 > 97 101 Se 0.29247728781790 0.91666666666667 0.60414034328984 78.960 > 97 102 Se 0.79247728781790 0.91666666666667 0.60414034328984 78.960 > 97 103 Se 0.20752271218210 0.08333333333333 0.39585965671016 78.960 > 103 104 Se 0.70752271218210 0.08333333333333 0.39585965671016 78.960 > 103 105 Se 0.20752271218210 0.41666666666667 0.39585965671016 78.960 > 103 106 Se 0.70752271218210 0.41666666666667 0.39585965671016 78.960 > 103 107 Se 0.20752271218210 0.75000000000000 0.39585965671016 78.960 > 103 108 Se 0.70752271218210 0.75000000000000 0.39585965671016 78.960 > 103 109 Se 0.47633959911886 0.25000000000000 0.61284190450904 78.960 > 109 110 Se 0.97633959911886 0.25000000000000 0.61284190450904 78.960 > 109 111 Se 0.47633959911886 0.58333333333333 0.61284190450904 78.960 > 109 112 Se 0.97633959911886 0.58333333333333 0.61284190450904 78.960 > 109 113 Se 0.47633959911886 0.91666666666667 0.61284190450904 78.960 > 109 114 Se 0.97633959911886 0.91666666666667 0.61284190450904 78.960 > 109 115 Se 0.45752271218210 0.08333333333333 0.10414034328984 78.960 > 115 116 Se 0.95752271218210 0.08333333333333 0.10414034328984 78.960 > 115 117 Se 0.45752271218210 0.41666666666667 0.10414034328984 78.960 > 115 118 Se 0.95752271218210 0.41666666666667 0.10414034328984 78.960 > 115 119 Se 0.45752271218210 0.75000000000000 0.10414034328984 78.960 > 115 120 Se 0.95752271218210 0.75000000000000 0.10414034328984 78.960 > 115 121 Se 0.27366040088114 0.08333333333333 0.11284190450904 78.960 > 121 122 Se 0.77366040088114 0.08333333333333 0.11284190450904 78.960 > 121 123 Se 0.27366040088114 0.41666666666667 0.11284190450904 78.960 > 121 124 Se 0.77366040088114 0.41666666666667 0.11284190450904 78.960 > 121 125 Se 0.27366040088114 0.75000000000000 0.11284190450904 78.960 > 121 126 Se 0.77366040088114 0.75000000000000 0.11284190450904 78.960 > 121 127 Se 0.38255662228339 0.08333333333333 0.82984910723390 78.960 > 127 128 Se 0.88255662228339 0.08333333333333 0.82984910723390 78.960 > 127 129 Se 0.38255662228339 0.41666666666667 0.82984910723390 78.960 > 127 130 Se 0.88255662228339 0.41666666666667 0.82984910723390 78.960 > 127 131 Se 0.38255662228339 0.75000000000000 0.82984910723390 78.960 > 127 132 Se 0.88255662228339 0.75000000000000 0.82984910723390 78.960 > 127 133 Se 0.13255662228339 0.08333333333333 0.67015089276610 78.960 > 133 134 Se 0.63255662228339 0.08333333333333 0.67015089276610 78.960 > 133 135 Se 0.13255662228339 0.41666666666667 0.67015089276610 78.960 > 133 136 Se 0.63255662228339 0.41666666666667 0.67015089276610 78.960 > 133 137 Se 0.13255662228339 0.75000000000000 0.67015089276610 78.960 > 133 138 Se 0.63255662228339 0.75000000000000 0.67015089276610 78.960 > 133 139 Se 0.04247728781790 0.25000000000000 0.89585965671016 78.960 > 139 140 Se 0.54247728781790 0.25000000000000 0.89585965671016 78.960 > 139 141 Se 0.04247728781790 0.58333333333333 0.89585965671016 78.960 > 139 142 Se 0.54247728781790 0.58333333333333 0.89585965671016 78.960 > 139 143 Se 0.04247728781790 0.91666666666667 0.89585965671016 78.960 > 139 144 Se 0.54247728781790 0.91666666666667 0.89585965671016 78.960 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 12.4469561 0.0000000 0.0000000 0.0000000 13.8429432 0.0000000 0.0000000 0.0000000 11.9876953 -------------------------- Born effective charges -------------------------- 1 Dy 5.0418480 0.0000000 1.0445661 0.0000000 4.5340002 0.0000000 -0.3900454 0.0000000 3.3315833 2 Dy 5.0418480 0.0000000 -1.0445661 0.0000000 4.5340002 0.0000000 0.3900454 0.0000000 3.3315833 3 Dy 5.0418480 0.0000000 1.0445661 0.0000000 4.5340002 0.0000000 -0.3900454 0.0000000 3.3315833 4 Dy 5.0418480 0.0000000 -1.0445661 0.0000000 4.5340002 0.0000000 0.3900454 0.0000000 3.3315833 5 Cu 0.3237201 0.0000000 -0.2123028 0.0000000 0.9037546 0.0000000 -0.1629166 0.0000000 0.7997630 6 Cu 0.3237201 0.0000000 -0.2123028 0.0000000 0.9037546 0.0000000 -0.1629166 0.0000000 0.7997630 7 Cu 0.3237201 0.0000000 0.2123028 0.0000000 0.9037546 0.0000000 0.1629166 0.0000000 0.7997630 8 Cu 0.3237201 0.0000000 0.2123028 0.0000000 0.9037546 0.0000000 0.1629166 0.0000000 0.7997630 9 Pb 3.9297606 0.0000000 0.0334824 0.0000000 5.0396117 0.0000000 0.4355811 0.0000000 4.6421782 10 Pb 3.9297606 0.0000000 -0.0334824 0.0000000 5.0396117 0.0000000 -0.4355811 0.0000000 4.6421782 11 Pb 3.9297606 0.0000000 0.0334824 0.0000000 5.0396117 0.0000000 0.4355811 0.0000000 4.6421782 12 Pb 3.9297606 0.0000000 -0.0334824 0.0000000 5.0396117 0.0000000 -0.4355811 0.0000000 4.6421782 13 Se -3.7365845 0.0000000 -0.4859371 0.0000000 -2.7714317 0.0000000 -0.2380528 0.0000000 -2.8072700 14 Se -3.0208001 0.0000000 -0.6918202 0.0000000 -3.8530882 0.0000000 -0.1041688 0.0000000 -3.1549673 15 Se -3.0208001 0.0000000 0.6918202 0.0000000 -3.8530882 0.0000000 0.1041688 0.0000000 -3.1549673 16 Se -3.7365845 0.0000000 0.4859371 0.0000000 -2.7714317 0.0000000 0.2380528 0.0000000 -2.8072700 17 Se -2.5379441 0.0000000 1.4191380 0.0000000 -3.8528466 0.0000000 0.7514953 0.0000000 -2.8112872 18 Se -2.5379441 0.0000000 1.4191380 0.0000000 -3.8528466 0.0000000 0.7514953 0.0000000 -2.8112872 19 Se -3.0208001 0.0000000 -0.6918202 0.0000000 -3.8530882 0.0000000 -0.1041688 0.0000000 -3.1549673 20 Se -2.5379441 0.0000000 -1.4191380 0.0000000 -3.8528466 0.0000000 -0.7514953 0.0000000 -2.8112872 21 Se -3.0208001 0.0000000 0.6918202 0.0000000 -3.8530882 0.0000000 0.1041688 0.0000000 -3.1549673 22 Se -3.7365845 0.0000000 0.4859371 0.0000000 -2.7714317 0.0000000 0.2380528 0.0000000 -2.8072700 23 Se -3.7365845 0.0000000 -0.4859371 0.0000000 -2.7714317 0.0000000 -0.2380528 0.0000000 -2.8072700 24 Se -2.5379441 0.0000000 -1.4191380 0.0000000 -3.8528466 0.0000000 -0.7514953 0.0000000 -2.8112872 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) 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 ... [ 5 13 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.50, Number of G-points: 283, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 63 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 0.667 ( 0.000 0.000 0.000) 0.000 0.758 ( 0.000 0.000 0.000) 0.000 0.867 ( 0.000 0.000 0.000) 0.000 0.945 ( 0.000 0.000 0.000) 0.000 1.007 ( 0.000 0.000 0.000) 0.000 1.010 ( 0.000 0.000 0.000) 0.000 1.036 ( 0.000 0.000 0.000) 0.000 1.179 ( 0.000 0.000 0.000) 0.000 1.230 ( 0.000 0.000 0.000) 0.000 1.383 ( 0.000 0.000 0.000) 0.000 1.489 ( 0.000 0.000 0.000) 0.000 1.532 ( 0.000 0.000 0.000) 0.000 1.609 ( 0.000 0.000 0.000) 0.000 1.664 ( 0.000 0.000 0.000) 0.000 1.667 ( 0.000 0.000 0.000) 0.000 1.921 ( 0.000 0.000 0.000) 0.000 1.976 ( 0.000 0.000 0.000) 0.000 2.010 ( 0.000 0.000 0.000) 0.000 2.026 ( 0.000 0.000 0.000) 0.000 2.040 ( 0.000 0.000 0.000) 0.000 2.054 ( 0.000 0.000 0.000) 0.000 2.229 ( 0.000 0.000 0.000) 0.000 2.257 ( 0.000 0.000 0.000) 0.000 2.358 ( 0.000 0.000 0.000) 0.000 2.449 ( 0.000 0.000 0.000) 0.000 2.498 ( 0.000 0.000 0.000) 0.000 2.541 ( 0.000 0.000 0.000) 0.000 2.587 ( 0.000 0.000 0.000) 0.000 2.723 ( 0.000 0.000 0.000) 0.000 2.781 ( 0.000 0.000 0.000) 0.000 2.792 ( 0.000 0.000 0.000) 0.000 3.515 ( 0.000 0.000 0.000) 0.000 3.638 ( 0.000 0.000 0.000) 0.000 3.690 ( 0.000 0.000 0.000) 0.000 3.721 ( 0.000 0.000 0.000) 0.000 3.775 ( 0.000 0.000 0.000) 0.000 3.813 ( 0.000 0.000 0.000) 0.000 3.915 ( 0.000 0.000 0.000) 0.000 3.952 ( 0.000 0.000 0.000) 0.000 3.968 ( 0.000 0.000 0.000) 0.000 3.998 ( 0.000 0.000 0.000) 0.000 4.039 ( 0.000 0.000 0.000) 0.000 4.093 ( 0.000 0.000 0.000) 0.000 4.191 ( 0.000 0.000 0.000) 0.000 4.263 ( 0.000 0.000 0.000) 0.000 4.503 ( 0.000 0.000 0.000) 0.000 4.512 ( 0.000 0.000 0.000) 0.000 4.551 ( 0.000 0.000 0.000) 0.000 4.560 ( 0.000 0.000 0.000) 0.000 4.571 ( 0.000 0.000 0.000) 0.000 4.626 ( 0.000 0.000 0.000) 0.000 4.646 ( 0.000 0.000 0.000) 0.000 4.826 ( 0.000 0.000 0.000) 0.000 4.898 ( 0.000 0.000 0.000) 0.000 4.904 ( 0.000 0.000 0.000) 0.000 4.931 ( 0.000 0.000 0.000) 0.000 4.960 ( 0.000 0.000 0.000) 0.000 4.992 ( 0.000 0.000 0.000) 0.000 5.065 ( 0.000 0.000 0.000) 0.000 5.255 ( 0.000 0.000 0.000) 0.000 5.295 ( 0.000 0.000 0.000) 0.000 5.331 ( 0.000 0.000 0.000) 0.000 5.374 ( 0.000 0.000 0.000) 0.000 5.457 ( 0.000 0.000 0.000) 0.000 5.490 ( 0.000 0.000 0.000) 0.000 5.608 ( 0.000 0.000 0.000) 0.000 5.634 ( 0.000 0.000 0.000) 0.000 5.722 ( 0.000 0.000 0.000) 0.000 6.051 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.272 ( 13.792 0.000 0.000) 13.792 0.355 ( 17.194 0.000 0.000) 17.194 0.578 ( 19.755 0.000 0.000) 19.755 0.778 ( 1.966 0.000 0.000) 1.966 0.830 ( 12.097 0.000 0.000) 12.097 0.853 ( -1.665 0.000 0.000) 1.665 0.927 ( -1.776 0.000 0.000) 1.776 1.015 ( 0.399 0.000 0.000) 0.399 1.059 ( -2.056 0.000 0.000) 2.056 1.173 ( 11.139 0.000 0.000) 11.139 1.197 ( -2.744 0.000 0.000) 2.744 1.197 ( 2.010 0.000 0.000) 2.010 1.413 ( 3.010 0.000 0.000) 3.010 1.491 ( -4.228 0.000 0.000) 4.228 1.567 ( 6.389 0.000 0.000) 6.389 1.635 ( -3.472 0.000 0.000) 3.472 1.642 ( -2.355 0.000 0.000) 2.355 1.723 ( 11.982 0.000 0.000) 11.982 1.883 ( -2.034 0.000 0.000) 2.034 2.014 ( 0.373 0.000 0.000) 0.373 2.022 ( -0.243 0.000 0.000) 0.243 2.032 ( 4.118 0.000 0.000) 4.118 2.036 ( -0.382 0.000 0.000) 0.382 2.049 ( -0.480 0.000 0.000) 0.480 2.170 ( -3.553 0.000 0.000) 3.553 2.337 ( -2.224 0.000 0.000) 2.224 2.388 ( 1.611 0.000 0.000) 1.611 2.456 ( -1.398 0.000 0.000) 1.398 2.530 ( 3.203 0.000 0.000) 3.203 2.572 ( -2.005 0.000 0.000) 2.005 2.709 ( -1.772 0.000 0.000) 1.772 2.767 ( -2.580 0.000 0.000) 2.580 2.815 ( 2.768 0.000 0.000) 2.768 2.851 ( 3.417 0.000 0.000) 3.417 3.372 ( -13.810 0.000 0.000) 13.810 3.550 ( -13.455 0.000 0.000) 13.455 3.641 ( 0.267 0.000 0.000) 0.267 3.700 ( -1.617 0.000 0.000) 1.617 3.792 ( 1.143 0.000 0.000) 1.143 3.814 ( 0.055 0.000 0.000) 0.055 3.920 ( 0.523 0.000 0.000) 0.523 3.950 ( -0.219 0.000 0.000) 0.219 3.972 ( 0.496 0.000 0.000) 0.496 4.031 ( -0.765 0.000 0.000) 0.765 4.143 ( 4.445 0.000 0.000) 4.445 4.209 ( 1.743 0.000 0.000) 1.743 4.284 ( 2.106 0.000 0.000) 2.106 4.477 ( -3.026 0.000 0.000) 3.026 4.506 ( 0.353 0.000 0.000) 0.353 4.528 ( -1.561 0.000 0.000) 1.561 4.552 ( -0.755 0.000 0.000) 0.755 4.585 ( 0.955 0.000 0.000) 0.955 4.591 ( -0.195 0.000 0.000) 0.195 4.628 ( 0.227 0.000 0.000) 0.227 4.644 ( -0.171 0.000 0.000) 0.171 4.759 ( -7.491 0.000 0.000) 7.491 4.859 ( -2.190 0.000 0.000) 2.190 4.872 ( -1.556 0.000 0.000) 1.556 4.928 ( 1.401 0.000 0.000) 1.401 4.998 ( -1.512 0.000 0.000) 1.512 5.115 ( 3.115 0.000 0.000) 3.115 5.261 ( -2.690 0.000 0.000) 2.690 5.269 ( 6.959 0.000 0.000) 6.959 5.351 ( 1.354 0.000 0.000) 1.354 5.392 ( 2.349 0.000 0.000) 2.349 5.490 ( 2.289 0.000 0.000) 2.289 5.550 ( 5.435 0.000 0.000) 5.435 5.594 ( 1.767 0.000 0.000) 1.767 5.641 ( 0.882 0.000 0.000) 0.882 5.733 ( 1.134 0.000 0.000) 1.134 5.869 ( -1.853 0.000 0.000) 1.853 6.011 ( -3.977 0.000 0.000) 3.977 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( 11.921 0.000 0.000) 11.921 0.634 ( 11.483 0.000 0.000) 11.483 0.703 ( -4.804 0.000 0.000) 4.804 0.791 ( -5.226 0.000 0.000) 5.226 0.826 ( 2.922 0.000 0.000) 2.922 0.882 ( -2.749 0.000 0.000) 2.749 0.883 ( 2.361 0.000 0.000) 2.361 0.978 ( -4.929 0.000 0.000) 4.929 1.186 ( 2.564 0.000 0.000) 2.564 1.235 ( 2.193 0.000 0.000) 2.193 1.264 ( 5.083 0.000 0.000) 5.083 1.319 ( 11.881 0.000 0.000) 11.881 1.382 ( -6.602 0.000 0.000) 6.602 1.489 ( 4.580 0.000 0.000) 4.580 1.528 ( -7.938 0.000 0.000) 7.938 1.577 ( -4.258 0.000 0.000) 4.258 1.754 ( 9.517 0.000 0.000) 9.517 1.851 ( -2.041 0.000 0.000) 2.041 2.021 ( 0.135 0.000 0.000) 0.135 2.023 ( 0.588 0.000 0.000) 0.588 2.027 ( 16.078 0.000 0.000) 16.078 2.028 ( -0.407 0.000 0.000) 0.407 2.037 ( -0.719 0.000 0.000) 0.719 2.111 ( 3.401 0.000 0.000) 3.401 2.152 ( 2.298 0.000 0.000) 2.298 2.264 ( -5.805 0.000 0.000) 5.805 2.354 ( -0.094 0.000 0.000) 0.094 2.480 ( -8.457 0.000 0.000) 8.457 2.526 ( 6.032 0.000 0.000) 6.032 2.611 ( 4.796 0.000 0.000) 4.796 2.642 ( -5.312 0.000 0.000) 5.312 2.700 ( -4.240 0.000 0.000) 4.240 2.889 ( 5.765 0.000 0.000) 5.765 2.969 ( 9.645 0.000 0.000) 9.645 3.074 ( -14.230 0.000 0.000) 14.230 3.237 ( -17.243 0.000 0.000) 17.243 3.650 ( 0.753 0.000 0.000) 0.753 3.670 ( -1.350 0.000 0.000) 1.350 3.809 ( 0.554 0.000 0.000) 0.554 3.814 ( -0.089 0.000 0.000) 0.089 3.932 ( 0.668 0.000 0.000) 0.668 3.943 ( -0.449 0.000 0.000) 0.449 3.988 ( 1.084 0.000 0.000) 1.084 4.011 ( -1.242 0.000 0.000) 1.242 4.226 ( 3.225 0.000 0.000) 3.225 4.244 ( 1.189 0.000 0.000) 1.189 4.338 ( 3.435 0.000 0.000) 3.435 4.410 ( -3.821 0.000 0.000) 3.821 4.512 ( 0.447 0.000 0.000) 0.447 4.517 ( 0.767 0.000 0.000) 0.767 4.534 ( -1.013 0.000 0.000) 1.013 4.555 ( -3.362 0.000 0.000) 3.362 4.607 ( 1.442 0.000 0.000) 1.442 4.633 ( 0.335 0.000 0.000) 0.335 4.640 ( -0.301 0.000 0.000) 0.301 4.647 ( -3.340 0.000 0.000) 3.340 4.834 ( -0.375 0.000 0.000) 0.375 4.844 ( -1.182 0.000 0.000) 1.182 4.952 ( 1.046 0.000 0.000) 1.046 4.971 ( -1.093 0.000 0.000) 1.093 5.164 ( 2.330 0.000 0.000) 2.330 5.210 ( -2.506 0.000 0.000) 2.506 5.348 ( 1.622 0.000 0.000) 1.622 5.363 ( -0.139 0.000 0.000) 0.139 5.472 ( 4.366 0.000 0.000) 4.366 5.516 ( -0.220 0.000 0.000) 0.220 5.634 ( 1.833 0.000 0.000) 1.833 5.637 ( 2.107 0.000 0.000) 2.107 5.685 ( 4.168 0.000 0.000) 4.168 5.750 ( -0.874 0.000 0.000) 0.874 5.840 ( 0.661 0.000 0.000) 0.661 5.914 ( -5.494 0.000 0.000) 5.494 ======================= Grid point 5 (4/63) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.336 ( 0.000 17.038 0.000) 17.038 0.369 ( 0.000 19.607 0.000) 19.607 0.629 ( 0.000 26.312 0.000) 26.312 0.750 ( 0.000 12.800 0.000) 12.800 0.896 ( 0.000 -0.931 0.000) 0.931 0.935 ( 0.000 15.552 0.000) 15.552 0.996 ( 0.000 11.383 0.000) 11.383 1.032 ( 0.000 2.672 0.000) 2.672 1.056 ( 0.000 2.173 0.000) 2.173 1.119 ( 0.000 6.306 0.000) 6.306 1.151 ( 0.000 -5.767 0.000) 5.767 1.356 ( 0.000 -1.892 0.000) 1.892 1.389 ( 0.000 -6.692 0.000) 6.692 1.398 ( 0.000 -8.151 0.000) 8.151 1.653 ( 0.000 3.155 0.000) 3.155 1.701 ( 0.000 -1.267 0.000) 1.267 1.728 ( 0.000 1.067 0.000) 1.067 1.750 ( 0.000 5.370 0.000) 5.370 1.913 ( 0.000 3.106 0.000) 3.106 1.939 ( 0.000 4.640 0.000) 4.640 2.091 ( 0.000 5.798 0.000) 5.798 2.113 ( 0.000 4.519 0.000) 4.519 2.144 ( 0.000 9.949 0.000) 9.949 2.213 ( 0.000 9.748 0.000) 9.748 2.262 ( 0.000 4.541 0.000) 4.541 2.269 ( 0.000 0.977 0.000) 0.977 2.363 ( 0.000 0.618 0.000) 0.618 2.464 ( 0.000 1.463 0.000) 1.463 2.497 ( 0.000 0.039 0.000) 0.039 2.529 ( 0.000 -1.035 0.000) 1.035 2.560 ( 0.000 -2.612 0.000) 2.612 2.669 ( 0.000 -4.750 0.000) 4.750 2.762 ( 0.000 -2.071 0.000) 2.071 2.787 ( 0.000 -0.599 0.000) 0.599 3.496 ( 0.000 -1.310 0.000) 1.310 3.653 ( 0.000 -3.478 0.000) 3.478 3.782 ( 0.000 5.586 0.000) 5.586 3.867 ( 0.000 7.905 0.000) 7.905 3.881 ( 0.000 2.479 0.000) 2.479 3.901 ( 0.000 0.360 0.000) 0.360 3.961 ( 0.000 2.599 0.000) 2.599 3.980 ( 0.000 6.185 0.000) 6.185 4.007 ( 0.000 3.551 0.000) 3.551 4.109 ( 0.000 1.548 0.000) 1.548 4.113 ( 0.000 4.981 0.000) 4.981 4.194 ( 0.000 0.713 0.000) 0.713 4.261 ( 0.000 -0.084 0.000) 0.084 4.501 ( 0.000 -1.104 0.000) 1.104 4.516 ( 0.000 -0.121 0.000) 0.121 4.539 ( 0.000 -2.106 0.000) 2.106 4.545 ( 0.000 -2.334 0.000) 2.334 4.571 ( 0.000 3.215 0.000) 3.215 4.645 ( 0.000 2.687 0.000) 2.687 4.655 ( 0.000 2.421 0.000) 2.421 4.812 ( 0.000 -1.159 0.000) 1.159 4.890 ( 0.000 -1.399 0.000) 1.399 4.894 ( 0.000 -0.208 0.000) 0.208 4.919 ( 0.000 -1.380 0.000) 1.380 4.963 ( 0.000 0.356 0.000) 0.356 5.004 ( 0.000 0.925 0.000) 0.925 5.040 ( 0.000 -2.356 0.000) 2.356 5.241 ( 0.000 -1.242 0.000) 1.242 5.263 ( 0.000 -3.005 0.000) 3.005 5.320 ( 0.000 -3.917 0.000) 3.917 5.327 ( 0.000 -0.434 0.000) 0.434 5.428 ( 0.000 0.871 0.000) 0.871 5.443 ( 0.000 -1.303 0.000) 1.303 5.478 ( 0.000 -1.244 0.000) 1.244 5.593 ( 0.000 -1.347 0.000) 1.347 5.623 ( 0.000 -1.058 0.000) 1.058 5.721 ( 0.000 -0.041 0.000) 0.041 5.992 ( 0.000 -5.777 0.000) 5.777 ======================= Grid point 6 (5/63) ======================= q-point: ( 0.20 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( 5.967 14.529 0.000) 15.707 0.454 ( 6.969 10.789 0.000) 12.844 0.773 ( 8.063 9.819 0.000) 12.705 0.889 ( 3.130 12.413 0.000) 12.802 0.904 ( 0.084 0.732 0.000) 0.737 0.969 ( 5.371 13.350 0.000) 14.390 0.989 ( -0.686 10.115 0.000) 10.139 1.039 ( 9.488 5.430 0.000) 10.932 1.103 ( -1.091 4.444 0.000) 4.575 1.121 ( -2.774 -3.481 0.000) 4.451 1.207 ( 9.776 4.126 0.000) 10.611 1.381 ( -1.566 -6.063 0.000) 6.262 1.381 ( 5.270 -2.632 0.000) 5.890 1.492 ( 4.518 -0.878 0.000) 4.603 1.533 ( -6.803 11.690 0.000) 13.525 1.684 ( -1.962 2.007 0.000) 2.807 1.712 ( -1.671 -0.758 0.000) 1.835 1.731 ( 8.851 2.286 0.000) 9.142 1.879 ( -3.096 5.823 0.000) 6.595 1.966 ( 2.246 1.861 0.000) 2.917 2.065 ( -1.601 3.513 0.000) 3.861 2.119 ( 0.752 6.363 0.000) 6.407 2.131 ( -0.855 8.955 0.000) 8.996 2.218 ( -1.808 6.346 0.000) 6.599 2.226 ( 1.092 9.939 0.000) 9.999 2.343 ( -2.164 0.703 0.000) 2.276 2.355 ( 2.593 -2.240 0.000) 3.427 2.467 ( -1.216 1.261 0.000) 1.752 2.532 ( 3.412 0.309 0.000) 3.426 2.546 ( -1.929 -2.528 0.000) 3.180 2.657 ( 9.665 -7.559 0.000) 12.270 2.658 ( -1.397 -4.458 0.000) 4.671 2.763 ( -2.371 -0.390 0.000) 2.402 2.802 ( 3.974 -2.454 0.000) 4.670 3.353 ( -13.987 -1.402 0.000) 14.057 3.510 ( -13.662 -3.748 0.000) 14.167 3.775 ( -0.675 6.177 0.000) 6.214 3.828 ( -3.856 5.478 0.000) 6.699 3.866 ( 0.074 7.073 0.000) 7.074 3.891 ( -0.700 5.922 0.000) 5.963 3.975 ( 0.781 1.161 0.000) 1.400 3.980 ( -0.007 5.571 0.000) 5.571 4.005 ( -0.001 3.160 0.000) 3.160 4.054 ( -3.154 4.858 0.000) 5.792 4.164 ( 4.358 2.487 0.000) 5.018 4.219 ( 2.142 1.235 0.000) 2.472 4.284 ( 2.216 0.083 0.000) 2.217 4.471 ( -2.884 -0.796 0.000) 2.991 4.496 ( -1.632 -1.405 0.000) 2.153 4.520 ( -1.811 -2.345 0.000) 2.963 4.549 ( 0.440 0.000 0.000) 0.440 4.581 ( 0.881 2.325 0.000) 2.486 4.620 ( -2.056 2.513 0.000) 3.247 4.660 ( 0.578 2.621 0.000) 2.684 4.742 ( -4.669 4.614 0.000) 6.564 4.786 ( -6.941 3.579 0.000) 7.809 4.866 ( -2.781 0.671 0.000) 2.860 4.868 ( -1.392 -0.363 0.000) 1.438 4.913 ( 1.067 -1.487 0.000) 1.830 4.968 ( -1.591 -2.965 0.000) 3.365 5.116 ( 2.745 0.091 0.000) 2.746 5.235 ( -2.341 -2.495 0.000) 3.421 5.260 ( 6.489 -1.094 0.000) 6.581 5.342 ( 1.183 -0.768 0.000) 1.410 5.383 ( 2.017 -0.957 0.000) 2.233 5.479 ( 2.307 -1.099 0.000) 2.555 5.531 ( 5.160 -1.807 0.000) 5.467 5.560 ( 3.366 -3.811 0.000) 5.084 5.627 ( 0.526 -1.262 0.000) 1.368 5.687 ( 5.479 -9.276 0.000) 10.773 5.731 ( 1.709 -1.088 0.000) 2.026 5.956 ( -3.559 -5.342 0.000) 6.419 ======================= Grid point 7 (6/63) ======================= q-point: ( 0.40 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 4.203 5.607 0.000) 7.007 0.556 ( 3.179 1.929 0.000) 3.719 0.861 ( 1.537 2.234 0.000) 2.712 0.881 ( -1.788 3.050 0.000) 3.536 0.920 ( 1.095 11.745 0.000) 11.796 0.958 ( -2.472 8.052 0.000) 8.423 0.971 ( 2.288 8.791 0.000) 9.083 1.048 ( -4.263 7.195 0.000) 8.363 1.133 ( 4.002 -2.731 0.000) 4.845 1.216 ( -2.960 -0.322 0.000) 2.978 1.318 ( 4.053 6.460 0.000) 7.626 1.349 ( -1.468 0.196 0.000) 1.481 1.472 ( 7.513 11.223 0.000) 13.506 1.552 ( 6.899 5.346 0.000) 8.728 1.619 ( -5.282 5.429 0.000) 7.574 1.655 ( -4.388 2.036 0.000) 4.837 1.683 ( 9.397 -3.890 0.000) 10.170 1.806 ( -4.431 2.645 0.000) 5.160 1.991 ( 12.354 1.508 0.000) 12.445 2.010 ( 1.981 1.703 0.000) 2.612 2.051 ( 1.282 2.984 0.000) 3.247 2.121 ( -0.513 7.667 0.000) 7.684 2.176 ( 5.192 3.746 0.000) 6.403 2.202 ( 2.007 8.975 0.000) 9.197 2.239 ( -1.048 6.521 0.000) 6.605 2.282 ( -3.399 4.050 0.000) 5.288 2.352 ( -0.745 0.366 0.000) 0.830 2.456 ( -8.260 -2.328 0.000) 8.581 2.510 ( 5.011 -1.273 0.000) 5.171 2.606 ( -4.174 -3.139 0.000) 5.223 2.615 ( 4.777 0.389 0.000) 4.793 2.701 ( -3.991 0.091 0.000) 3.992 2.815 ( 8.322 -5.347 0.000) 9.892 2.926 ( 9.755 -3.701 0.000) 10.433 3.040 ( -15.794 -2.492 0.000) 15.989 3.194 ( -17.289 -4.078 0.000) 17.763 3.764 ( -0.231 7.184 0.000) 7.187 3.775 ( -1.565 7.997 0.000) 8.149 3.870 ( 0.313 5.979 0.000) 5.987 3.878 ( -0.544 5.835 0.000) 5.861 3.980 ( 0.036 4.537 0.000) 4.537 3.981 ( -0.022 3.394 0.000) 3.394 4.010 ( 0.392 2.327 0.000) 2.360 4.020 ( -0.820 1.881 0.000) 2.051 4.243 ( 2.992 1.963 0.000) 3.579 4.258 ( 1.295 1.613 0.000) 2.069 4.339 ( 3.354 0.162 0.000) 3.358 4.406 ( -3.588 -0.245 0.000) 3.597 4.470 ( -0.731 -2.177 0.000) 2.297 4.481 ( -1.794 -2.802 0.000) 3.327 4.563 ( 1.031 0.509 0.000) 1.150 4.587 ( -1.448 0.848 0.000) 1.678 4.607 ( 2.104 2.889 0.000) 3.574 4.667 ( -4.105 3.851 0.000) 5.629 4.676 ( 1.060 3.151 0.000) 3.325 4.702 ( -1.924 3.902 0.000) 4.350 4.835 ( -0.515 0.050 0.000) 0.517 4.842 ( -1.092 -0.094 0.000) 1.096 4.931 ( 0.761 -2.168 0.000) 2.298 4.945 ( -0.831 -2.698 0.000) 2.823 5.155 ( 1.774 -0.827 0.000) 1.957 5.191 ( -2.103 -1.762 0.000) 2.743 5.341 ( 1.560 -0.728 0.000) 1.722 5.354 ( -0.050 -0.867 0.000) 0.869 5.458 ( 4.527 -1.469 0.000) 4.759 5.505 ( -0.268 -1.161 0.000) 1.192 5.613 ( 2.299 -2.248 0.000) 3.216 5.623 ( 2.585 -1.468 0.000) 2.973 5.648 ( 2.356 -3.316 0.000) 4.068 5.702 ( -1.699 -4.857 0.000) 5.145 5.788 ( 3.294 -3.715 0.000) 4.965 5.869 ( -4.939 -4.269 0.000) 6.529 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 0.000 14.563 0.000) 14.563 0.745 ( 0.000 18.959 0.000) 18.959 0.843 ( 0.000 7.611 0.000) 7.611 0.928 ( 0.000 3.903 0.000) 3.903 1.050 ( 0.000 -3.121 0.000) 3.121 1.099 ( 0.000 5.480 0.000) 5.480 1.114 ( 0.000 4.659 0.000) 4.659 1.172 ( 0.000 -0.639 0.000) 0.639 1.246 ( 0.000 12.007 0.000) 12.007 1.260 ( 0.000 11.680 0.000) 11.680 1.289 ( 0.000 10.558 0.000) 10.558 1.290 ( 0.000 15.153 0.000) 15.153 1.298 ( 0.000 -2.343 0.000) 2.343 1.343 ( 0.000 3.946 0.000) 3.946 1.619 ( 0.000 -4.496 0.000) 4.496 1.707 ( 0.000 2.884 0.000) 2.884 1.743 ( 0.000 2.448 0.000) 2.448 1.841 ( 0.000 4.114 0.000) 4.114 2.078 ( 0.000 10.883 0.000) 10.883 2.091 ( 0.000 9.771 0.000) 9.771 2.174 ( 0.000 2.952 0.000) 2.952 2.270 ( 0.000 12.246 0.000) 12.246 2.278 ( 0.000 -0.434 0.000) 0.434 2.352 ( 0.000 10.750 0.000) 10.750 2.357 ( 0.000 2.898 0.000) 2.898 2.393 ( 0.000 4.813 0.000) 4.813 2.397 ( 0.000 4.102 0.000) 4.102 2.477 ( 0.000 -1.038 0.000) 1.038 2.499 ( 0.000 -3.299 0.000) 3.299 2.524 ( 0.000 4.892 0.000) 4.892 2.538 ( 0.000 3.070 0.000) 3.070 2.590 ( 0.000 -1.820 0.000) 1.820 2.698 ( 0.000 -4.289 0.000) 4.289 2.766 ( 0.000 -1.781 0.000) 1.781 3.475 ( 0.000 -0.917 0.000) 0.917 3.569 ( 0.000 -4.916 0.000) 4.916 3.854 ( 0.000 -1.635 0.000) 1.635 3.900 ( 0.000 5.843 0.000) 5.843 3.917 ( 0.000 1.499 0.000) 1.499 4.023 ( 0.000 6.886 0.000) 6.886 4.086 ( 0.000 4.265 0.000) 4.265 4.105 ( 0.000 7.126 0.000) 7.126 4.107 ( 0.000 6.117 0.000) 6.117 4.148 ( 0.000 2.266 0.000) 2.266 4.229 ( 0.000 7.410 0.000) 7.410 4.248 ( 0.000 5.696 0.000) 5.696 4.269 ( 0.000 1.265 0.000) 1.265 4.470 ( 0.000 -2.063 0.000) 2.063 4.473 ( 0.000 -4.980 0.000) 4.980 4.475 ( 0.000 -5.368 0.000) 5.368 4.478 ( 0.000 -3.826 0.000) 3.826 4.665 ( 0.000 5.510 0.000) 5.510 4.704 ( 0.000 2.228 0.000) 2.228 4.715 ( 0.000 4.332 0.000) 4.332 4.806 ( 0.000 1.087 0.000) 1.087 4.858 ( 0.000 -1.298 0.000) 1.298 4.870 ( 0.000 -3.743 0.000) 3.743 4.899 ( 0.000 1.068 0.000) 1.068 4.976 ( 0.000 0.970 0.000) 0.970 4.992 ( 0.000 -2.111 0.000) 2.111 5.013 ( 0.000 -0.161 0.000) 0.161 5.202 ( 0.000 -2.742 0.000) 2.742 5.216 ( 0.000 -1.118 0.000) 1.118 5.237 ( 0.000 -4.620 0.000) 4.620 5.314 ( 0.000 -1.018 0.000) 1.018 5.414 ( 0.000 -1.557 0.000) 1.557 5.425 ( 0.000 -1.211 0.000) 1.211 5.444 ( 0.000 -2.186 0.000) 2.186 5.567 ( 0.000 -1.132 0.000) 1.132 5.599 ( 0.000 -1.347 0.000) 1.347 5.723 ( 0.000 0.294 0.000) 0.294 5.854 ( 0.000 -7.747 0.000) 7.747 ======================= Grid point 11 (8/63) ======================= q-point: ( 0.20 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 1.696 12.591 0.000) 12.704 0.752 ( 0.270 16.924 0.000) 16.927 0.897 ( 2.863 5.545 0.000) 6.240 0.940 ( 0.325 3.034 0.000) 3.051 1.034 ( -0.467 -1.866 0.000) 1.923 1.098 ( 0.099 6.584 0.000) 6.585 1.127 ( 0.884 8.237 0.000) 8.284 1.142 ( -1.581 3.487 0.000) 3.828 1.234 ( -1.302 5.063 0.000) 5.228 1.294 ( -1.399 -0.914 0.000) 1.671 1.346 ( 3.962 3.843 0.000) 5.520 1.372 ( 7.928 15.128 0.000) 17.080 1.422 ( 10.413 -1.672 0.000) 10.546 1.438 ( 15.299 18.601 0.000) 24.085 1.615 ( -0.445 -4.396 0.000) 4.419 1.739 ( -0.723 2.943 0.000) 3.031 1.742 ( -3.723 6.923 0.000) 7.861 1.786 ( 5.558 3.775 0.000) 6.718 2.068 ( -1.725 11.482 0.000) 11.611 2.091 ( 0.608 9.215 0.000) 9.235 2.148 ( -1.130 4.043 0.000) 4.198 2.250 ( -2.023 8.388 0.000) 8.628 2.314 ( -2.066 8.331 0.000) 8.583 2.328 ( 4.069 0.989 0.000) 4.187 2.348 ( -1.985 1.880 0.000) 2.733 2.374 ( -1.388 5.548 0.000) 5.719 2.412 ( 0.803 6.512 0.000) 6.561 2.493 ( -0.958 -1.801 0.000) 2.040 2.514 ( -0.029 3.763 0.000) 3.763 2.549 ( 3.030 1.268 0.000) 3.284 2.583 ( 6.531 0.356 0.000) 6.541 2.583 ( -0.772 -1.800 0.000) 1.959 2.730 ( 3.108 -4.972 0.000) 5.864 2.747 ( -1.850 -1.444 0.000) 2.347 3.330 ( -14.224 -0.960 0.000) 14.256 3.424 ( -14.013 -4.843 0.000) 14.827 3.870 ( 1.163 0.361 0.000) 1.218 3.890 ( -0.769 5.142 0.000) 5.200 3.925 ( 0.953 0.716 0.000) 1.192 4.011 ( -1.138 6.169 0.000) 6.273 4.074 ( -1.820 6.229 0.000) 6.490 4.078 ( -0.592 4.757 0.000) 4.794 4.104 ( -0.359 6.107 0.000) 6.117 4.141 ( -1.682 3.204 0.000) 3.619 4.255 ( 2.831 6.734 0.000) 7.305 4.273 ( 2.264 4.782 0.000) 5.291 4.297 ( 2.460 1.622 0.000) 2.947 4.443 ( -2.012 -2.619 0.000) 3.303 4.444 ( -1.618 -4.267 0.000) 4.564 4.464 ( -1.419 -2.950 0.000) 3.274 4.507 ( 1.634 -3.637 0.000) 3.987 4.671 ( 0.670 5.280 0.000) 5.322 4.686 ( -3.016 4.014 0.000) 5.021 4.713 ( 0.913 2.336 0.000) 2.508 4.797 ( -0.829 2.758 0.000) 2.880 4.843 ( -3.871 0.123 0.000) 3.873 4.851 ( -0.657 -1.414 0.000) 1.559 4.875 ( -5.038 -0.653 0.000) 5.081 4.895 ( -0.318 0.717 0.000) 0.784 4.911 ( -2.808 -0.624 0.000) 2.876 5.114 ( 3.153 -0.389 0.000) 3.177 5.182 ( -1.559 -2.410 0.000) 2.870 5.226 ( 5.151 -2.121 0.000) 5.570 5.325 ( 0.807 -1.106 0.000) 1.369 5.346 ( 3.992 -3.129 0.000) 5.072 5.450 ( 2.266 -1.771 0.000) 2.876 5.464 ( 4.378 -4.628 0.000) 6.371 5.488 ( 4.341 -2.557 0.000) 5.038 5.585 ( 1.592 -2.507 0.000) 2.970 5.599 ( 0.095 -1.474 0.000) 1.477 5.722 ( 0.015 -0.174 0.000) 0.175 5.829 ( -2.361 -6.965 0.000) 7.354 ======================= Grid point 12 (9/63) ======================= q-point: ( 0.40 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 0.612 11.046 0.000) 11.063 0.735 ( -2.079 12.118 0.000) 12.295 0.921 ( 0.243 3.960 0.000) 3.967 0.927 ( -0.742 2.801 0.000) 2.898 1.054 ( 1.617 2.642 0.000) 3.097 1.083 ( -1.357 6.110 0.000) 6.259 1.153 ( 2.974 4.414 0.000) 5.322 1.157 ( 1.938 8.228 0.000) 8.453 1.200 ( -2.042 6.253 0.000) 6.578 1.235 ( -4.253 2.443 0.000) 4.904 1.426 ( 4.064 6.585 0.000) 7.738 1.469 ( 1.332 6.127 0.000) 6.270 1.594 ( -0.039 2.016 0.000) 2.016 1.602 ( -0.918 -3.138 0.000) 3.269 1.619 ( 5.706 5.777 0.000) 8.120 1.705 ( -2.943 4.212 0.000) 5.139 1.823 ( 13.592 14.875 0.000) 20.150 2.001 ( -5.624 13.013 0.000) 14.177 2.038 ( 15.069 2.843 0.000) 15.335 2.113 ( 1.332 7.675 0.000) 7.790 2.158 ( 1.647 6.967 0.000) 7.159 2.238 ( 3.192 3.761 0.000) 4.933 2.275 ( -5.465 4.263 0.000) 6.931 2.296 ( -0.510 6.486 0.000) 6.506 2.337 ( -1.368 4.218 0.000) 4.435 2.392 ( -4.816 -1.276 0.000) 4.982 2.418 ( 3.785 5.216 0.000) 6.444 2.458 ( -1.667 7.413 0.000) 7.598 2.512 ( 0.937 3.398 0.000) 3.525 2.555 ( -2.331 -0.978 0.000) 2.528 2.625 ( 4.319 0.769 0.000) 4.387 2.698 ( -3.191 -0.483 0.000) 3.228 2.738 ( 9.881 -2.446 0.000) 10.179 2.831 ( 8.762 -6.007 0.000) 10.623 3.001 ( -17.539 -1.528 0.000) 17.605 3.098 ( -17.842 -5.441 0.000) 18.654 3.879 ( -0.194 4.749 0.000) 4.753 3.881 ( -0.053 3.952 0.000) 3.952 3.953 ( 1.737 0.722 0.000) 1.881 3.985 ( -1.516 3.916 0.000) 4.199 4.055 ( -0.075 5.122 0.000) 5.123 4.065 ( -0.779 4.479 0.000) 4.546 4.099 ( -0.055 5.988 0.000) 5.988 4.108 ( -1.172 4.902 0.000) 5.041 4.310 ( 2.117 4.860 0.000) 5.301 4.315 ( 1.525 4.321 0.000) 4.582 4.351 ( 2.968 1.201 0.000) 3.202 4.402 ( -2.274 -0.447 0.000) 2.318 4.418 ( -0.876 -3.426 0.000) 3.536 4.428 ( -1.879 -2.758 0.000) 3.337 4.546 ( 2.669 -1.349 0.000) 2.991 4.612 ( -4.047 1.952 0.000) 4.493 4.695 ( 2.021 4.701 0.000) 5.117 4.738 ( 1.705 2.695 0.000) 3.189 4.750 ( -3.618 3.979 0.000) 5.378 4.777 ( -2.270 3.534 0.000) 4.200 4.829 ( -0.490 -1.602 0.000) 1.675 4.836 ( -0.788 -1.201 0.000) 1.436 4.888 ( -0.191 -1.287 0.000) 1.301 4.890 ( -0.238 -0.254 0.000) 0.348 5.141 ( 0.672 -0.532 0.000) 0.857 5.156 ( -1.076 -1.556 0.000) 1.892 5.317 ( 2.118 -1.872 0.000) 2.827 5.332 ( -0.087 -1.432 0.000) 1.434 5.418 ( 4.577 -2.452 0.000) 5.192 5.474 ( -0.558 -2.006 0.000) 2.082 5.546 ( 3.342 -4.726 0.000) 5.788 5.564 ( 2.624 -4.172 0.000) 4.928 5.598 ( -0.353 -1.806 0.000) 1.840 5.606 ( 0.015 -3.731 0.000) 3.731 5.733 ( 1.342 -1.981 0.000) 2.393 5.775 ( -2.907 -4.812 0.000) 5.622 ======================= Grid point 15 (10/63) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 0.000 9.512 0.000) 9.512 0.965 ( 0.000 4.531 0.000) 4.531 0.993 ( 0.000 0.145 0.000) 0.145 1.022 ( 0.000 4.771 0.000) 4.771 1.099 ( 0.000 13.692 0.000) 13.692 1.173 ( 0.000 2.408 0.000) 2.408 1.213 ( 0.000 5.477 0.000) 5.477 1.231 ( 0.000 8.005 0.000) 8.005 1.265 ( 0.000 -1.469 0.000) 1.469 1.277 ( 0.000 2.031 0.000) 2.031 1.280 ( 0.000 -1.579 0.000) 1.579 1.437 ( 0.000 7.545 0.000) 7.545 1.566 ( 0.000 10.708 0.000) 10.708 1.568 ( 0.000 -0.382 0.000) 0.382 1.725 ( 0.000 13.265 0.000) 13.265 1.781 ( 0.000 4.892 0.000) 4.892 1.824 ( 0.000 5.161 0.000) 5.161 1.914 ( 0.000 3.652 0.000) 3.652 2.231 ( 0.000 -4.355 0.000) 4.355 2.263 ( 0.000 5.893 0.000) 5.893 2.275 ( 0.000 7.728 0.000) 7.728 2.293 ( 0.000 7.816 0.000) 7.816 2.375 ( 0.000 -0.262 0.000) 0.262 2.381 ( 0.000 -1.247 0.000) 1.247 2.441 ( 0.000 -1.278 0.000) 1.278 2.445 ( 0.000 2.907 0.000) 2.907 2.447 ( 0.000 0.328 0.000) 0.328 2.543 ( 0.000 13.098 0.000) 13.098 2.553 ( 0.000 8.794 0.000) 8.794 2.577 ( 0.000 -2.956 0.000) 2.956 2.635 ( 0.000 7.753 0.000) 7.753 2.648 ( 0.000 6.409 0.000) 6.409 2.716 ( 0.000 -2.743 0.000) 2.743 2.736 ( 0.000 10.395 0.000) 10.395 3.456 ( 0.000 -1.164 0.000) 1.164 3.475 ( 0.000 -4.572 0.000) 4.572 3.854 ( 0.000 1.725 0.000) 1.725 3.963 ( 0.000 3.268 0.000) 3.268 3.990 ( 0.000 3.511 0.000) 3.511 4.095 ( 0.000 1.458 0.000) 1.458 4.154 ( 0.000 2.605 0.000) 2.605 4.187 ( 0.000 1.618 0.000) 1.618 4.195 ( 0.000 2.715 0.000) 2.715 4.235 ( 0.000 6.631 0.000) 6.631 4.313 ( 0.000 1.719 0.000) 1.719 4.328 ( 0.000 -8.845 0.000) 8.845 4.355 ( 0.000 -3.924 0.000) 3.924 4.376 ( 0.000 4.404 0.000) 4.404 4.378 ( 0.000 -4.709 0.000) 4.709 4.385 ( 0.000 6.710 0.000) 6.710 4.424 ( 0.000 -2.516 0.000) 2.516 4.726 ( 0.000 0.406 0.000) 0.406 4.757 ( 0.000 3.771 0.000) 3.771 4.785 ( 0.000 -4.207 0.000) 4.207 4.802 ( 0.000 4.022 0.000) 4.022 4.847 ( 0.000 2.283 0.000) 2.283 4.872 ( 0.000 2.726 0.000) 2.726 4.943 ( 0.000 3.277 0.000) 3.277 4.963 ( 0.000 -1.047 0.000) 1.047 4.976 ( 0.000 -1.294 0.000) 1.294 5.033 ( 0.000 2.814 0.000) 2.814 5.146 ( 0.000 -4.651 0.000) 4.651 5.168 ( 0.000 -0.904 0.000) 0.904 5.205 ( 0.000 0.082 0.000) 0.082 5.285 ( 0.000 -2.073 0.000) 2.073 5.386 ( 0.000 -2.611 0.000) 2.611 5.387 ( 0.000 -1.181 0.000) 1.181 5.397 ( 0.000 -2.493 0.000) 2.493 5.555 ( 0.000 0.002 0.000) 0.002 5.577 ( 0.000 -0.762 0.000) 0.762 5.724 ( 0.000 -5.197 0.000) 5.197 5.729 ( 0.000 0.180 0.000) 0.180 ======================= Grid point 16 (11/63) ======================= q-point: ( 0.20 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 0.700 8.350 0.000) 8.379 0.980 ( -1.392 0.553 0.000) 1.498 0.988 ( 1.142 3.400 0.000) 3.586 1.011 ( -1.470 6.472 0.000) 6.637 1.100 ( 1.020 10.412 0.000) 10.462 1.197 ( 2.142 4.186 0.000) 4.703 1.213 ( -0.996 4.707 0.000) 4.812 1.254 ( 0.072 2.796 0.000) 2.797 1.265 ( 0.269 -0.237 0.000) 0.358 1.292 ( 3.833 4.551 0.000) 5.949 1.422 ( 10.523 2.819 0.000) 10.894 1.472 ( 3.353 6.453 0.000) 7.272 1.568 ( 0.073 -0.068 0.000) 0.100 1.617 ( 5.248 10.332 0.000) 11.589 1.757 ( 1.120 8.066 0.000) 8.143 1.821 ( -0.479 5.027 0.000) 5.050 1.837 ( 6.785 4.538 0.000) 8.163 1.896 ( 3.104 7.209 0.000) 7.849 2.208 ( -1.031 -0.080 0.000) 1.034 2.253 ( -0.652 5.796 0.000) 5.833 2.274 ( -1.175 7.782 0.000) 7.870 2.316 ( 0.374 -0.192 0.000) 0.421 2.348 ( -1.704 -1.823 0.000) 2.495 2.400 ( -1.875 3.274 0.000) 3.773 2.403 ( 3.388 4.842 0.000) 5.910 2.484 ( 2.078 3.386 0.000) 3.973 2.485 ( 0.475 2.458 0.000) 2.503 2.536 ( 2.043 4.986 0.000) 5.388 2.562 ( 1.035 8.573 0.000) 8.635 2.616 ( 2.416 0.821 0.000) 2.552 2.632 ( 0.307 4.350 0.000) 4.361 2.642 ( -0.599 6.049 0.000) 6.079 2.710 ( -0.560 -1.383 0.000) 1.492 2.734 ( -0.117 9.855 0.000) 9.856 3.310 ( -14.346 -1.476 0.000) 14.422 3.337 ( -13.665 -3.728 0.000) 14.164 3.880 ( 2.653 1.479 0.000) 3.037 3.967 ( 0.324 3.310 0.000) 3.326 3.968 ( -1.317 3.264 0.000) 3.519 4.085 ( -1.758 1.797 0.000) 2.514 4.134 ( -1.367 1.224 0.000) 1.835 4.143 ( -2.726 0.836 0.000) 2.851 4.195 ( -0.797 2.474 0.000) 2.599 4.231 ( -1.010 5.422 0.000) 5.516 4.320 ( 1.245 -1.909 0.000) 2.279 4.337 ( 0.878 -3.359 0.000) 3.472 4.354 ( -0.155 -1.868 0.000) 1.874 4.387 ( 0.877 1.783 0.000) 1.987 4.391 ( 1.135 3.679 0.000) 3.850 4.431 ( 4.149 -0.808 0.000) 4.227 4.431 ( 0.380 0.075 0.000) 0.388 4.727 ( 0.223 -0.130 0.000) 0.258 4.748 ( -3.754 -0.308 0.000) 3.767 4.758 ( 0.171 3.328 0.000) 3.332 4.791 ( -0.894 -0.132 0.000) 0.903 4.857 ( 0.000 2.103 0.000) 2.103 4.859 ( -1.073 2.478 0.000) 2.700 4.869 ( -4.767 -0.173 0.000) 4.770 4.943 ( 0.099 3.791 0.000) 3.793 4.952 ( -2.861 3.377 0.000) 4.426 5.097 ( 5.019 -1.363 0.000) 5.201 5.152 ( -1.156 -0.846 0.000) 1.433 5.199 ( 2.465 -0.248 0.000) 2.477 5.272 ( 6.459 -4.116 0.000) 7.659 5.294 ( 0.413 -2.255 0.000) 2.292 5.395 ( 1.339 -3.036 0.000) 3.318 5.416 ( 2.148 -1.594 0.000) 2.675 5.439 ( 3.606 -2.324 0.000) 4.290 5.559 ( 0.301 -0.396 0.000) 0.498 5.576 ( -0.140 -0.853 0.000) 0.865 5.716 ( -0.708 -4.368 0.000) 4.425 5.721 ( -0.660 0.025 0.000) 0.661 ======================= Grid point 17 (12/63) ======================= q-point: ( 0.40 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 0.431 8.569 0.000) 8.580 0.935 ( -2.595 6.484 0.000) 6.984 0.993 ( -0.165 4.127 0.000) 4.130 0.995 ( -0.138 3.172 0.000) 3.175 1.135 ( 2.186 5.813 0.000) 6.210 1.179 ( -2.329 3.887 0.000) 4.531 1.233 ( 1.089 4.035 0.000) 4.179 1.245 ( -0.446 2.654 0.000) 2.691 1.288 ( 2.292 3.385 0.000) 4.088 1.327 ( -0.788 5.949 0.000) 6.001 1.541 ( 2.529 4.769 0.000) 5.398 1.544 ( 2.097 3.713 0.000) 4.264 1.584 ( 2.705 1.545 0.000) 3.115 1.671 ( -4.403 4.110 0.000) 6.023 1.738 ( 3.420 6.055 0.000) 6.954 1.798 ( -2.140 5.126 0.000) 5.555 2.067 ( 12.692 6.433 0.000) 14.229 2.112 ( 13.365 6.289 0.000) 14.771 2.211 ( -4.377 6.123 0.000) 7.526 2.226 ( 4.045 0.438 0.000) 4.069 2.241 ( -1.765 3.991 0.000) 4.363 2.307 ( -0.200 0.269 0.000) 0.335 2.319 ( -2.653 1.165 0.000) 2.897 2.356 ( -3.565 1.017 0.000) 3.708 2.474 ( -0.578 8.078 0.000) 8.099 2.481 ( -0.300 9.389 0.000) 9.394 2.508 ( 5.317 9.357 0.000) 10.762 2.572 ( -0.867 8.264 0.000) 8.310 2.612 ( 1.886 3.643 0.000) 4.102 2.629 ( -0.685 4.834 0.000) 4.882 2.654 ( 5.030 2.150 0.000) 5.470 2.700 ( -0.534 2.700 0.000) 2.752 2.710 ( 7.912 -5.619 0.000) 9.705 2.748 ( 3.872 5.165 0.000) 6.455 2.971 ( -18.642 -2.125 0.000) 18.763 3.007 ( -18.733 -3.251 0.000) 19.013 3.946 ( 3.721 1.996 0.000) 4.222 3.957 ( 0.116 3.523 0.000) 3.525 3.968 ( -0.081 2.703 0.000) 2.704 4.028 ( -3.861 1.252 0.000) 4.059 4.107 ( -0.710 -0.250 0.000) 0.753 4.112 ( -0.927 0.002 0.000) 0.927 4.186 ( 0.232 2.982 0.000) 2.991 4.204 ( -1.426 3.448 0.000) 3.731 4.343 ( 0.590 -2.792 0.000) 2.854 4.350 ( -0.260 -2.384 0.000) 2.398 4.360 ( 1.744 0.038 0.000) 1.744 4.389 ( -0.890 0.382 0.000) 0.968 4.419 ( 1.383 4.404 0.000) 4.616 4.434 ( -0.180 3.799 0.000) 3.803 4.529 ( 5.902 0.208 0.000) 5.905 4.648 ( -6.239 1.060 0.000) 6.329 4.738 ( 0.918 -1.359 0.000) 1.640 4.763 ( -1.689 -2.433 0.000) 2.962 4.768 ( 1.082 2.384 0.000) 2.618 4.802 ( -2.450 1.527 0.000) 2.886 4.841 ( -0.717 2.404 0.000) 2.508 4.841 ( -0.613 2.366 0.000) 2.444 4.937 ( 0.469 4.693 0.000) 4.717 4.944 ( -0.130 4.613 0.000) 4.615 5.136 ( 0.087 0.003 0.000) 0.087 5.136 ( -0.348 -0.515 0.000) 0.622 5.270 ( 2.910 -2.750 0.000) 4.004 5.294 ( -0.377 -2.531 0.000) 2.559 5.371 ( 4.474 -2.302 0.000) 5.031 5.434 ( -1.125 -1.921 0.000) 2.226 5.453 ( 3.814 -4.310 0.000) 5.755 5.489 ( 0.684 -3.439 0.000) 3.506 5.564 ( 0.191 -0.942 0.000) 0.961 5.570 ( -0.476 -0.988 0.000) 1.097 5.705 ( -0.228 -2.323 0.000) 2.334 5.709 ( -0.534 -0.676 0.000) 0.861 ======================= Grid point 20 (13/63) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 0.000 -1.558 0.000) 1.558 0.990 ( 0.000 1.697 0.000) 1.697 1.012 ( 0.000 0.683 0.000) 0.683 1.071 ( 0.000 0.224 0.000) 0.224 1.235 ( 0.000 -1.249 0.000) 1.249 1.255 ( 0.000 -0.708 0.000) 0.708 1.290 ( 0.000 3.861 0.000) 3.861 1.294 ( 0.000 9.179 0.000) 9.179 1.303 ( 0.000 3.156 0.000) 3.156 1.357 ( 0.000 5.615 0.000) 5.615 1.395 ( 0.000 8.473 0.000) 8.473 1.562 ( 0.000 7.075 0.000) 7.075 1.616 ( 0.000 5.026 0.000) 5.026 1.704 ( 0.000 3.949 0.000) 3.949 1.825 ( 0.000 0.321 0.000) 0.321 1.884 ( 0.000 5.327 0.000) 5.327 1.918 ( 0.000 4.154 0.000) 4.154 1.974 ( 0.000 2.339 0.000) 2.339 2.122 ( 0.000 -6.361 0.000) 6.361 2.175 ( 0.000 -10.469 0.000) 10.469 2.267 ( 0.000 -3.458 0.000) 3.458 2.324 ( 0.000 -0.267 0.000) 0.267 2.340 ( 0.000 -3.596 0.000) 3.596 2.414 ( 0.000 -1.133 0.000) 1.133 2.478 ( 0.000 -1.387 0.000) 1.387 2.488 ( 0.000 -0.790 0.000) 0.790 2.607 ( 0.000 11.800 0.000) 11.800 2.649 ( 0.000 3.403 0.000) 3.403 2.681 ( 0.000 14.627 0.000) 14.627 2.711 ( 0.000 6.398 0.000) 6.398 2.776 ( 0.000 6.153 0.000) 6.153 2.778 ( 0.000 9.267 0.000) 9.267 2.880 ( 0.000 14.372 0.000) 14.372 2.952 ( 0.000 12.127 0.000) 12.127 3.400 ( 0.000 -3.184 0.000) 3.184 3.428 ( 0.000 -1.806 0.000) 1.806 3.915 ( 0.000 4.301 0.000) 4.301 4.029 ( 0.000 -0.281 0.000) 0.281 4.034 ( 0.000 3.829 0.000) 3.829 4.073 ( 0.000 -5.439 0.000) 5.439 4.188 ( 0.000 0.572 0.000) 0.572 4.191 ( 0.000 -2.170 0.000) 2.170 4.206 ( 0.000 0.551 0.000) 0.551 4.207 ( 0.000 -0.992 0.000) 0.992 4.236 ( 0.000 -3.340 0.000) 3.340 4.295 ( 0.000 -0.099 0.000) 0.099 4.336 ( 0.000 3.511 0.000) 3.511 4.386 ( 0.000 -1.080 0.000) 1.080 4.413 ( 0.000 3.568 0.000) 3.568 4.467 ( 0.000 3.442 0.000) 3.442 4.492 ( 0.000 3.907 0.000) 3.907 4.705 ( 0.000 -3.783 0.000) 3.783 4.742 ( 0.000 1.654 0.000) 1.654 4.813 ( 0.000 2.292 0.000) 2.292 4.873 ( 0.000 2.766 0.000) 2.766 4.875 ( 0.000 0.831 0.000) 0.831 4.933 ( 0.000 2.959 0.000) 2.959 4.949 ( 0.000 -0.458 0.000) 0.458 4.954 ( 0.000 -0.656 0.000) 0.656 5.009 ( 0.000 3.144 0.000) 3.144 5.064 ( 0.000 -3.738 0.000) 3.738 5.075 ( 0.000 0.654 0.000) 0.654 5.158 ( 0.000 -0.324 0.000) 0.324 5.227 ( 0.000 2.060 0.000) 2.060 5.233 ( 0.000 -3.195 0.000) 3.195 5.330 ( 0.000 -3.089 0.000) 3.089 5.357 ( 0.000 -1.521 0.000) 1.521 5.370 ( 0.000 -0.690 0.000) 0.690 5.566 ( 0.000 1.000 0.000) 1.000 5.572 ( 0.000 0.232 0.000) 0.232 5.657 ( 0.000 -2.036 0.000) 2.036 5.726 ( 0.000 -0.589 0.000) 0.589 ======================= Grid point 21 (14/63) ======================= q-point: ( 0.20 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 0.288 -0.906 0.000) 0.951 0.997 ( 0.402 1.322 0.000) 1.382 1.021 ( 0.607 0.298 0.000) 0.676 1.067 ( -0.462 0.502 0.000) 0.682 1.242 ( 0.319 -0.720 0.000) 0.788 1.250 ( -0.842 0.016 0.000) 0.842 1.274 ( -0.892 3.415 0.000) 3.530 1.299 ( -0.281 2.478 0.000) 2.494 1.323 ( 2.591 8.658 0.000) 9.038 1.413 ( 3.675 6.046 0.000) 7.075 1.530 ( 10.245 7.323 0.000) 12.593 1.579 ( 1.811 5.735 0.000) 6.015 1.623 ( 0.687 5.311 0.000) 5.356 1.758 ( 4.460 4.303 0.000) 6.197 1.813 ( -1.964 0.471 0.000) 2.019 1.912 ( -0.670 4.071 0.000) 4.126 1.925 ( 5.680 4.211 0.000) 7.071 1.991 ( 5.950 2.654 0.000) 6.515 2.147 ( 1.522 -5.180 0.000) 5.399 2.190 ( 1.706 -8.588 0.000) 8.756 2.260 ( -0.807 -3.813 0.000) 3.897 2.302 ( -3.473 -3.139 0.000) 4.682 2.327 ( 0.032 -0.336 0.000) 0.337 2.450 ( -2.480 -0.551 0.000) 2.540 2.453 ( 4.142 -1.927 0.000) 4.568 2.504 ( 2.057 -2.007 0.000) 2.874 2.630 ( 1.514 8.434 0.000) 8.569 2.663 ( 1.631 6.527 0.000) 6.728 2.681 ( -0.259 10.634 0.000) 10.637 2.714 ( 0.486 8.996 0.000) 9.009 2.773 ( -0.149 5.895 0.000) 5.897 2.797 ( 1.761 10.182 0.000) 10.333 2.859 ( -2.056 13.624 0.000) 13.778 2.946 ( -0.769 12.367 0.000) 12.391 3.262 ( -13.771 -2.663 0.000) 14.026 3.294 ( -13.116 -1.547 0.000) 13.207 3.931 ( 1.628 3.559 0.000) 3.914 4.016 ( -0.713 0.896 0.000) 1.145 4.038 ( 0.407 3.460 0.000) 3.483 4.059 ( -1.427 -4.660 0.000) 4.874 4.128 ( -2.711 -1.737 0.000) 3.220 4.133 ( -4.011 -0.468 0.000) 4.039 4.221 ( -0.085 -0.269 0.000) 0.282 4.224 ( -0.521 0.752 0.000) 0.915 4.278 ( 3.647 -2.283 0.000) 4.303 4.317 ( 1.325 -0.405 0.000) 1.385 4.347 ( 0.856 2.989 0.000) 3.109 4.390 ( 0.390 -0.322 0.000) 0.506 4.434 ( 1.966 2.658 0.000) 3.306 4.484 ( 1.334 2.907 0.000) 3.199 4.504 ( 1.455 3.505 0.000) 3.796 4.688 ( -1.762 -3.523 0.000) 3.940 4.734 ( -0.698 1.215 0.000) 1.401 4.809 ( -0.335 2.126 0.000) 2.152 4.831 ( -3.918 1.684 0.000) 4.265 4.865 ( -2.879 -0.031 0.000) 2.879 4.886 ( -0.173 1.270 0.000) 1.282 4.915 ( -1.436 2.765 0.000) 3.116 5.001 ( -0.135 1.334 0.000) 1.341 5.016 ( 0.681 3.254 0.000) 3.325 5.071 ( 5.158 -1.119 0.000) 5.278 5.144 ( -0.955 -0.098 0.000) 0.960 5.199 ( 7.285 -3.209 0.000) 7.960 5.222 ( -0.035 1.919 0.000) 1.919 5.239 ( 0.269 -3.270 0.000) 3.281 5.338 ( 1.065 -2.846 0.000) 3.039 5.393 ( 2.329 -0.883 0.000) 2.491 5.402 ( 2.811 -1.482 0.000) 3.178 5.565 ( -0.108 0.870 0.000) 0.876 5.570 ( -0.227 0.220 0.000) 0.316 5.662 ( 0.516 -1.610 0.000) 1.691 5.717 ( -0.784 -0.541 0.000) 0.953 ======================= Grid point 22 (15/63) ======================= q-point: ( 0.40 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 0.689 0.316 0.000) 0.758 0.997 ( -0.470 1.147 0.000) 1.239 1.034 ( 0.861 0.694 0.000) 1.105 1.053 ( -0.972 0.996 0.000) 1.392 1.232 ( -0.687 1.504 0.000) 1.653 1.233 ( -0.783 2.666 0.000) 2.779 1.274 ( 0.768 -0.185 0.000) 0.790 1.290 ( -0.704 1.106 0.000) 1.311 1.385 ( 3.450 7.407 0.000) 8.171 1.435 ( -1.266 5.844 0.000) 5.979 1.625 ( 2.314 3.605 0.000) 4.284 1.639 ( 1.202 5.439 0.000) 5.571 1.647 ( 2.383 5.356 0.000) 5.863 1.722 ( -4.708 1.982 0.000) 5.109 1.848 ( 2.865 5.005 0.000) 5.767 1.890 ( -1.654 4.251 0.000) 4.561 2.121 ( 10.589 -0.467 0.000) 10.599 2.170 ( 3.734 -2.494 0.000) 4.490 2.228 ( -3.857 -3.048 0.000) 4.916 2.231 ( 8.437 -0.387 0.000) 8.446 2.233 ( -2.245 -4.738 0.000) 5.243 2.239 ( 7.004 -1.172 0.000) 7.101 2.310 ( -2.414 0.174 0.000) 2.421 2.387 ( -4.523 0.726 0.000) 4.581 2.584 ( 10.794 -2.817 0.000) 11.155 2.610 ( 10.581 -3.187 0.000) 11.051 2.651 ( 0.881 5.300 0.000) 5.373 2.669 ( -0.816 5.957 0.000) 6.013 2.702 ( 1.550 10.761 0.000) 10.872 2.728 ( 0.954 10.442 0.000) 10.486 2.773 ( 0.208 7.056 0.000) 7.059 2.812 ( -2.425 11.750 0.000) 11.997 2.822 ( -1.571 7.280 0.000) 7.447 2.923 ( -1.441 12.217 0.000) 12.302 2.923 ( -19.551 -1.698 0.000) 19.625 2.990 ( -14.673 2.204 0.000) 14.838 3.973 ( 2.493 1.391 0.000) 2.855 4.014 ( -0.532 1.117 0.000) 1.237 4.028 ( -0.656 -1.255 0.000) 1.416 4.048 ( -0.006 4.506 0.000) 4.506 4.069 ( -1.888 -2.622 0.000) 3.231 4.084 ( -1.873 -1.207 0.000) 2.228 4.216 ( -0.080 1.011 0.000) 1.014 4.218 ( -0.159 0.463 0.000) 0.490 4.323 ( 0.720 -0.376 0.000) 0.812 4.327 ( 0.001 -0.048 0.000) 0.048 4.369 ( 1.581 1.006 0.000) 1.874 4.392 ( -0.503 0.237 0.000) 0.556 4.479 ( 2.242 2.043 0.000) 3.033 4.501 ( 0.061 2.481 0.000) 2.482 4.554 ( 3.763 1.420 0.000) 4.022 4.635 ( -3.931 -1.984 0.000) 4.403 4.726 ( 0.214 0.581 0.000) 0.619 4.754 ( -2.960 0.887 0.000) 3.090 4.807 ( 0.353 1.732 0.000) 1.768 4.826 ( -1.575 1.103 0.000) 1.923 4.881 ( 0.020 1.778 0.000) 1.778 4.891 ( -0.963 2.356 0.000) 2.546 5.014 ( 1.065 2.717 0.000) 2.918 5.026 ( 0.031 3.235 0.000) 3.235 5.134 ( 0.076 0.187 0.000) 0.201 5.137 ( 0.704 -0.053 0.000) 0.706 5.226 ( 1.107 -1.680 0.000) 2.012 5.239 ( -0.247 -2.937 0.000) 2.948 5.333 ( 5.588 -1.540 0.000) 5.796 5.386 ( 3.733 -2.798 0.000) 4.665 5.405 ( -1.558 -1.034 0.000) 1.869 5.434 ( -0.383 -2.285 0.000) 2.317 5.562 ( -0.081 0.632 0.000) 0.637 5.564 ( -0.284 0.389 0.000) 0.481 5.677 ( 1.075 -0.876 0.000) 1.387 5.699 ( -1.098 -0.559 0.000) 1.232 ======================= Grid point 25 (16/63) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 0.000 -1.185 0.000) 1.185 0.967 ( 0.000 -2.900 0.000) 2.900 1.002 ( 0.000 -1.628 0.000) 1.628 1.041 ( 0.000 -2.955 0.000) 2.955 1.207 ( 0.000 -1.595 0.000) 1.595 1.245 ( 0.000 -0.807 0.000) 0.807 1.276 ( 0.000 -3.447 0.000) 3.447 1.308 ( 0.000 -2.663 0.000) 2.663 1.470 ( 0.000 5.691 0.000) 5.691 1.501 ( 0.000 11.561 0.000) 11.561 1.536 ( 0.000 5.671 0.000) 5.671 1.699 ( 0.000 6.487 0.000) 6.487 1.741 ( 0.000 0.428 0.000) 0.428 1.741 ( 0.000 6.932 0.000) 6.932 1.802 ( 0.000 -1.988 0.000) 1.988 1.967 ( 0.000 3.025 0.000) 3.025 1.970 ( 0.000 1.051 0.000) 1.051 2.001 ( 0.000 -2.669 0.000) 2.669 2.014 ( 0.000 -1.905 0.000) 1.905 2.015 ( 0.000 -4.119 0.000) 4.119 2.170 ( 0.000 -6.257 0.000) 6.257 2.234 ( 0.000 -7.108 0.000) 7.108 2.321 ( 0.000 0.260 0.000) 0.260 2.402 ( 0.000 -0.042 0.000) 0.042 2.412 ( 0.000 -3.300 0.000) 3.300 2.458 ( 0.000 -1.661 0.000) 1.661 2.746 ( 0.000 5.425 0.000) 5.425 2.823 ( 0.000 5.152 0.000) 5.152 2.833 ( 0.000 10.504 0.000) 10.504 2.870 ( 0.000 3.670 0.000) 3.670 2.877 ( 0.000 5.568 0.000) 5.568 2.957 ( 0.000 8.054 0.000) 8.054 3.117 ( 0.000 9.808 0.000) 9.808 3.188 ( 0.000 10.354 0.000) 10.354 3.354 ( 0.000 -1.581 0.000) 1.581 3.389 ( 0.000 -2.084 0.000) 2.084 3.953 ( 0.000 -5.148 0.000) 5.148 3.969 ( 0.000 -4.477 0.000) 4.477 4.003 ( 0.000 4.508 0.000) 4.508 4.094 ( 0.000 2.007 0.000) 2.007 4.200 ( 0.000 1.977 0.000) 1.977 4.204 ( 0.000 1.729 0.000) 1.729 4.222 ( 0.000 2.874 0.000) 2.874 4.224 ( 0.000 1.545 0.000) 1.545 4.241 ( 0.000 1.494 0.000) 1.494 4.312 ( 0.000 1.564 0.000) 1.564 4.366 ( 0.000 -0.370 0.000) 0.370 4.393 ( 0.000 1.949 0.000) 1.949 4.467 ( 0.000 2.080 0.000) 2.080 4.510 ( 0.000 1.073 0.000) 1.073 4.534 ( 0.000 0.626 0.000) 0.626 4.630 ( 0.000 -4.403 0.000) 4.403 4.791 ( 0.000 3.144 0.000) 3.144 4.849 ( 0.000 1.391 0.000) 1.391 4.892 ( 0.000 1.150 0.000) 1.150 4.904 ( 0.000 0.846 0.000) 0.846 4.947 ( 0.000 0.152 0.000) 0.152 4.951 ( 0.000 0.112 0.000) 0.112 4.975 ( 0.000 1.388 0.000) 1.388 5.010 ( 0.000 -1.717 0.000) 1.717 5.051 ( 0.000 0.928 0.000) 0.928 5.061 ( 0.000 -1.676 0.000) 1.676 5.153 ( 0.000 -0.155 0.000) 0.155 5.173 ( 0.000 -2.568 0.000) 2.568 5.254 ( 0.000 0.158 0.000) 0.158 5.272 ( 0.000 -2.751 0.000) 2.751 5.339 ( 0.000 -0.473 0.000) 0.473 5.358 ( 0.000 -0.601 0.000) 0.601 5.584 ( 0.000 0.897 0.000) 0.897 5.592 ( 0.000 1.721 0.000) 1.721 5.633 ( 0.000 -0.787 0.000) 0.787 5.705 ( 0.000 -1.485 0.000) 1.485 ======================= Grid point 26 (17/63) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 1.080 -0.892 0.000) 1.401 0.973 ( 0.592 -2.834 0.000) 2.895 1.007 ( 0.450 -1.691 0.000) 1.750 1.042 ( 0.015 -2.694 0.000) 2.694 1.210 ( 0.410 -1.958 0.000) 2.001 1.241 ( -0.534 -1.123 0.000) 1.243 1.265 ( -0.979 -3.091 0.000) 3.242 1.298 ( -1.078 -2.642 0.000) 2.853 1.517 ( 1.502 10.763 0.000) 10.868 1.528 ( 3.507 5.872 0.000) 6.839 1.655 ( 8.228 4.630 0.000) 9.441 1.694 ( -0.369 5.943 0.000) 5.954 1.745 ( 0.532 6.324 0.000) 6.347 1.786 ( 1.405 -0.259 0.000) 1.429 1.823 ( 4.821 0.038 0.000) 4.821 1.966 ( -0.513 1.201 0.000) 1.306 1.975 ( 1.231 0.292 0.000) 1.266 2.026 ( 6.827 1.225 0.000) 6.936 2.033 ( 3.330 -3.084 0.000) 4.539 2.090 ( 5.732 -2.723 0.000) 6.346 2.150 ( -2.100 -6.899 0.000) 7.212 2.204 ( -2.746 -6.462 0.000) 7.021 2.326 ( 0.492 0.476 0.000) 0.684 2.409 ( -0.398 -2.298 0.000) 2.332 2.420 ( 2.117 -1.246 0.000) 2.456 2.460 ( 0.485 -2.220 0.000) 2.272 2.736 ( -0.391 5.203 0.000) 5.218 2.807 ( -1.511 5.193 0.000) 5.409 2.855 ( -0.202 3.619 0.000) 3.624 2.875 ( -0.321 4.874 0.000) 4.885 2.877 ( 2.874 10.060 0.000) 10.462 2.984 ( 1.427 7.837 0.000) 7.966 3.094 ( -2.269 10.308 0.000) 10.555 3.182 ( -0.783 10.036 0.000) 10.066 3.223 ( -13.043 -1.343 0.000) 13.112 3.265 ( -11.591 -1.387 0.000) 11.673 3.956 ( 0.521 -4.220 0.000) 4.252 3.975 ( 0.616 -3.873 0.000) 3.922 4.004 ( -0.056 3.668 0.000) 3.668 4.074 ( -2.007 0.752 0.000) 2.143 4.153 ( -1.828 3.770 0.000) 4.190 4.176 ( -2.162 4.366 0.000) 4.872 4.241 ( 0.808 1.354 0.000) 1.577 4.249 ( 0.523 2.012 0.000) 2.079 4.270 ( 3.050 0.740 0.000) 3.139 4.324 ( 0.909 0.915 0.000) 1.290 4.370 ( 0.161 -0.630 0.000) 0.650 4.400 ( 0.387 1.625 0.000) 1.671 4.475 ( 0.895 1.536 0.000) 1.778 4.519 ( 0.703 0.631 0.000) 0.945 4.540 ( 0.757 0.381 0.000) 0.847 4.617 ( -1.267 -4.108 0.000) 4.299 4.776 ( -1.256 2.952 0.000) 3.208 4.842 ( -0.562 1.257 0.000) 1.377 4.847 ( -4.217 0.611 0.000) 4.261 4.874 ( -1.671 0.893 0.000) 1.894 4.909 ( -0.291 1.040 0.000) 1.080 4.957 ( -1.509 1.577 0.000) 2.182 5.008 ( 1.389 -0.524 0.000) 1.484 5.055 ( 0.311 0.476 0.000) 0.568 5.059 ( 5.131 0.019 0.000) 5.131 5.143 ( 6.233 -2.565 0.000) 6.740 5.146 ( -0.538 0.218 0.000) 0.581 5.180 ( 0.537 -2.461 0.000) 2.519 5.246 ( -0.045 0.132 0.000) 0.140 5.287 ( 1.552 -2.349 0.000) 2.815 5.377 ( 2.798 -0.688 0.000) 2.881 5.384 ( 1.851 -0.589 0.000) 1.942 5.583 ( -0.090 1.012 0.000) 1.016 5.589 ( -0.251 1.669 0.000) 1.688 5.641 ( 0.843 -0.782 0.000) 1.150 5.699 ( -0.645 -1.388 0.000) 1.530 ======================= Grid point 27 (18/63) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 0.973 -0.812 0.000) 1.268 0.984 ( 0.256 -1.943 0.000) 1.960 1.019 ( 0.806 -1.844 0.000) 2.012 1.036 ( -0.751 -2.272 0.000) 2.393 1.222 ( 0.599 -2.499 0.000) 2.570 1.229 ( -0.467 -1.663 0.000) 1.728 1.249 ( -0.086 -2.399 0.000) 2.400 1.270 ( -1.669 -2.715 0.000) 3.187 1.548 ( 1.414 8.902 0.000) 9.013 1.561 ( 0.264 6.983 0.000) 6.988 1.694 ( 0.419 4.003 0.000) 4.025 1.707 ( -0.600 1.948 0.000) 2.039 1.762 ( 1.197 5.320 0.000) 5.453 1.785 ( -1.001 3.790 0.000) 3.920 1.918 ( 2.844 1.507 0.000) 3.219 1.951 ( -1.067 1.565 0.000) 1.894 2.021 ( 3.279 -5.713 0.000) 6.588 2.091 ( -3.802 -7.468 0.000) 8.380 2.091 ( 3.200 -4.406 0.000) 5.446 2.148 ( -2.882 -5.469 0.000) 6.182 2.256 ( 8.885 3.636 0.000) 9.600 2.295 ( 12.583 3.611 0.000) 13.090 2.331 ( -0.519 1.676 0.000) 1.754 2.391 ( -1.667 0.025 0.000) 1.668 2.509 ( 10.176 -4.334 0.000) 11.060 2.541 ( 11.619 -4.006 0.000) 12.290 2.740 ( 0.626 4.593 0.000) 4.635 2.773 ( -1.786 4.994 0.000) 5.304 2.843 ( -9.843 0.547 0.000) 9.858 2.860 ( -14.861 0.360 0.000) 14.866 2.863 ( -7.975 1.172 0.000) 8.061 2.865 ( -0.666 3.616 0.000) 3.676 2.982 ( -0.387 9.170 0.000) 9.178 3.038 ( -3.379 10.955 0.000) 11.464 3.121 ( 0.261 7.837 0.000) 7.841 3.155 ( -1.952 9.675 0.000) 9.870 3.975 ( 1.364 -2.238 0.000) 2.621 3.993 ( 1.216 -2.159 0.000) 2.478 3.997 ( -0.710 1.142 0.000) 1.345 4.027 ( -2.428 -0.980 0.000) 2.618 4.134 ( -0.182 4.832 0.000) 4.835 4.144 ( -1.128 5.219 0.000) 5.339 4.257 ( 0.649 2.887 0.000) 2.959 4.258 ( 0.434 3.092 0.000) 3.123 4.316 ( 1.286 -0.345 0.000) 1.331 4.329 ( -0.363 0.118 0.000) 0.382 4.376 ( 0.995 -0.533 0.000) 1.129 4.399 ( -0.753 0.478 0.000) 0.892 4.501 ( 1.635 0.352 0.000) 1.672 4.524 ( -0.435 -0.090 0.000) 0.445 4.562 ( 1.342 -0.588 0.000) 1.465 4.589 ( -1.511 -2.634 0.000) 3.036 4.758 ( -0.182 2.545 0.000) 2.551 4.780 ( -2.491 1.817 0.000) 3.084 4.835 ( 0.004 1.026 0.000) 1.026 4.846 ( -1.146 0.826 0.000) 1.413 4.911 ( 0.505 1.369 0.000) 1.459 4.928 ( -1.303 1.635 0.000) 2.091 5.037 ( 1.447 -0.308 0.000) 1.480 5.056 ( -0.394 -0.279 0.000) 0.483 5.133 ( 1.739 -0.103 0.000) 1.742 5.140 ( 0.052 0.445 0.000) 0.448 5.190 ( 0.461 -1.973 0.000) 2.027 5.197 ( -0.141 -1.534 0.000) 1.541 5.313 ( 5.773 -0.691 0.000) 5.815 5.342 ( 4.020 -1.802 0.000) 4.405 5.391 ( -1.784 -0.587 0.000) 1.878 5.400 ( -1.033 -1.241 0.000) 1.615 5.581 ( 0.009 1.317 0.000) 1.317 5.584 ( -0.257 1.546 0.000) 1.568 5.662 ( 1.178 -0.908 0.000) 1.487 5.683 ( -0.995 -1.164 0.000) 1.531 ======================= Grid point 30 (19/63) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 0.000 -0.566 0.000) 0.566 0.938 ( 0.000 0.916 0.000) 0.916 0.954 ( 0.000 -2.942 0.000) 2.942 0.978 ( 0.000 -3.052 0.000) 3.052 1.183 ( 0.000 -0.371 0.000) 0.371 1.207 ( 0.000 -2.842 0.000) 2.842 1.226 ( 0.000 -0.615 0.000) 0.615 1.243 ( 0.000 -2.667 0.000) 2.667 1.563 ( 0.000 3.679 0.000) 3.679 1.597 ( 0.000 0.542 0.000) 0.542 1.712 ( 0.000 9.432 0.000) 9.432 1.743 ( 0.000 0.382 0.000) 0.382 1.764 ( 0.000 -1.729 0.000) 1.729 1.802 ( 0.000 1.960 0.000) 1.960 1.844 ( 0.000 4.741 0.000) 4.741 1.945 ( 0.000 -4.094 0.000) 4.094 1.952 ( 0.000 -0.509 0.000) 0.509 1.962 ( 0.000 -1.351 0.000) 1.351 2.010 ( 0.000 1.229 0.000) 1.229 2.022 ( 0.000 0.019 0.000) 0.019 2.069 ( 0.000 -2.683 0.000) 2.683 2.097 ( 0.000 -5.629 0.000) 5.629 2.336 ( 0.000 1.237 0.000) 1.237 2.366 ( 0.000 -1.810 0.000) 1.810 2.410 ( 0.000 0.748 0.000) 0.748 2.429 ( 0.000 -1.274 0.000) 1.274 2.840 ( 0.000 4.050 0.000) 4.050 2.889 ( 0.000 -0.807 0.000) 0.807 2.902 ( 0.000 2.887 0.000) 2.887 2.928 ( 0.000 0.322 0.000) 0.322 3.006 ( 0.000 6.075 0.000) 6.075 3.053 ( 0.000 1.429 0.000) 1.429 3.258 ( 0.000 4.901 0.000) 4.901 3.299 ( 0.000 1.204 0.000) 1.204 3.339 ( 0.000 0.022 0.000) 0.022 3.354 ( 0.000 -1.443 0.000) 1.443 3.892 ( 0.000 -1.224 0.000) 1.224 3.902 ( 0.000 -2.121 0.000) 2.121 4.078 ( 0.000 2.943 0.000) 2.943 4.110 ( 0.000 -0.356 0.000) 0.356 4.236 ( 0.000 1.322 0.000) 1.322 4.242 ( 0.000 1.221 0.000) 1.221 4.256 ( 0.000 1.361 0.000) 1.361 4.267 ( 0.000 0.582 0.000) 0.582 4.272 ( 0.000 2.370 0.000) 2.370 4.331 ( 0.000 -2.925 0.000) 2.925 4.384 ( 0.000 6.204 0.000) 6.204 4.449 ( 0.000 2.764 0.000) 2.764 4.500 ( 0.000 1.521 0.000) 1.521 4.509 ( 0.000 -1.129 0.000) 1.129 4.527 ( 0.000 -1.130 0.000) 1.130 4.528 ( 0.000 -5.844 0.000) 5.844 4.847 ( 0.000 2.169 0.000) 2.169 4.865 ( 0.000 0.171 0.000) 0.171 4.919 ( 0.000 1.463 0.000) 1.463 4.928 ( 0.000 1.779 0.000) 1.779 4.942 ( 0.000 -0.811 0.000) 0.811 4.951 ( 0.000 -0.300 0.000) 0.300 4.996 ( 0.000 0.201 0.000) 0.201 4.998 ( 0.000 1.477 0.000) 1.477 5.021 ( 0.000 -2.198 0.000) 2.198 5.036 ( 0.000 -2.086 0.000) 2.086 5.148 ( 0.000 -0.182 0.000) 0.182 5.150 ( 0.000 -0.181 0.000) 0.181 5.233 ( 0.000 -1.016 0.000) 1.016 5.238 ( 0.000 -1.193 0.000) 1.193 5.337 ( 0.000 0.257 0.000) 0.257 5.346 ( 0.000 -0.612 0.000) 0.612 5.602 ( 0.000 0.963 0.000) 0.963 5.619 ( 0.000 -0.741 0.000) 0.741 5.630 ( 0.000 2.122 0.000) 2.122 5.671 ( 0.000 -2.047 0.000) 2.047 ======================= Grid point 31 (20/63) ======================= q-point: ( 0.20 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 0.722 -0.614 0.000) 0.948 0.951 ( 1.059 0.723 0.000) 1.282 0.959 ( 0.555 -2.889 0.000) 2.941 0.985 ( 0.497 -2.732 0.000) 2.777 1.181 ( -0.161 -0.570 0.000) 0.592 1.201 ( -0.450 -2.665 0.000) 2.703 1.218 ( -0.875 -0.580 0.000) 1.050 1.236 ( -0.742 -2.569 0.000) 2.674 1.631 ( 4.267 4.516 0.000) 6.213 1.688 ( 5.093 -1.038 0.000) 5.198 1.711 ( -0.095 8.627 0.000) 8.627 1.786 ( 3.716 0.263 0.000) 3.725 1.798 ( -0.519 2.159 0.000) 2.220 1.801 ( 3.880 -1.467 0.000) 4.148 1.831 ( -1.058 4.066 0.000) 4.202 1.937 ( -0.864 -4.566 0.000) 4.647 1.984 ( 2.158 1.540 0.000) 2.651 2.012 ( 1.550 -0.835 0.000) 1.761 2.045 ( 8.904 0.749 0.000) 8.935 2.052 ( -1.622 -1.975 0.000) 2.556 2.061 ( 8.427 -0.827 0.000) 8.468 2.080 ( -1.554 -5.053 0.000) 5.286 2.344 ( 0.847 1.330 0.000) 1.577 2.373 ( 0.673 -1.617 0.000) 1.751 2.409 ( -0.034 0.104 0.000) 0.110 2.424 ( -0.465 -1.425 0.000) 1.499 2.826 ( -0.792 3.913 0.000) 3.992 2.875 ( -0.909 -0.899 0.000) 1.279 2.888 ( -1.414 3.023 0.000) 3.337 2.918 ( -1.070 0.055 0.000) 1.071 3.038 ( 1.685 5.389 0.000) 5.646 3.074 ( -0.602 1.463 0.000) 1.582 3.214 ( -11.458 0.646 0.000) 11.477 3.240 ( -9.250 -1.441 0.000) 9.361 3.244 ( -1.440 5.250 0.000) 5.444 3.288 ( -1.090 1.093 0.000) 1.544 3.908 ( 1.665 -0.836 0.000) 1.863 3.918 ( 1.690 -1.809 0.000) 2.476 4.063 ( -1.557 2.273 0.000) 2.755 4.084 ( -2.511 0.047 0.000) 2.511 4.234 ( -0.047 3.941 0.000) 3.941 4.253 ( -0.325 2.676 0.000) 2.695 4.263 ( 1.839 0.619 0.000) 1.940 4.276 ( 0.710 0.131 0.000) 0.722 4.286 ( 1.397 0.874 0.000) 1.648 4.330 ( -0.081 -3.123 0.000) 3.124 4.370 ( -0.935 4.455 0.000) 4.552 4.441 ( -1.472 0.493 0.000) 1.553 4.500 ( 0.195 1.338 0.000) 1.352 4.506 ( 0.292 -1.142 0.000) 1.179 4.528 ( 0.278 -1.318 0.000) 1.347 4.538 ( 0.519 -3.195 0.000) 3.237 4.832 ( -1.292 2.322 0.000) 2.657 4.854 ( -0.879 -0.094 0.000) 0.884 4.869 ( -3.174 1.421 0.000) 3.477 4.886 ( -2.377 -0.091 0.000) 2.378 4.934 ( 0.276 2.009 0.000) 2.028 4.981 ( 1.102 -2.257 0.000) 2.512 4.986 ( -1.062 1.860 0.000) 2.142 5.032 ( -0.485 -2.437 0.000) 2.485 5.071 ( 5.428 1.092 0.000) 5.537 5.100 ( 5.874 -1.897 0.000) 6.173 5.150 ( 0.014 0.175 0.000) 0.176 5.154 ( 0.516 -0.443 0.000) 0.680 5.238 ( 0.967 -0.335 0.000) 1.023 5.249 ( 1.532 -1.509 0.000) 2.151 5.370 ( 2.370 -0.032 0.000) 2.371 5.374 ( 2.002 -0.412 0.000) 2.044 5.605 ( 0.224 1.177 0.000) 1.198 5.625 ( 0.615 -0.942 0.000) 1.125 5.626 ( -0.346 2.068 0.000) 2.097 5.666 ( -0.474 -1.969 0.000) 2.025 ======================= Grid point 32 (21/63) ======================= q-point: ( 0.40 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 1.206 -0.580 0.000) 1.338 0.965 ( 0.061 0.016 0.000) 0.064 0.974 ( 0.893 -2.484 0.000) 2.639 0.987 ( -0.368 -2.246 0.000) 2.276 1.182 ( 0.387 -0.874 0.000) 0.956 1.197 ( -1.101 -0.645 0.000) 1.276 1.198 ( 0.354 -2.263 0.000) 2.291 1.216 ( -1.247 -2.322 0.000) 2.635 1.685 ( 1.644 5.273 0.000) 5.523 1.705 ( -0.640 6.833 0.000) 6.862 1.740 ( 2.044 0.524 0.000) 2.110 1.778 ( -1.633 2.623 0.000) 3.089 1.817 ( 0.124 0.507 0.000) 0.522 1.818 ( -0.217 1.636 0.000) 1.650 1.872 ( 2.667 -3.899 0.000) 4.724 1.912 ( -1.707 -5.011 0.000) 5.293 2.000 ( 0.591 1.182 0.000) 1.322 2.019 ( -1.465 -0.170 0.000) 1.475 2.026 ( 0.751 -1.937 0.000) 2.078 2.048 ( -1.544 -3.695 0.000) 4.004 2.335 ( 10.512 4.404 0.000) 11.398 2.365 ( 1.015 1.582 0.000) 1.880 2.372 ( 13.016 4.299 0.000) 13.708 2.387 ( 0.618 -0.641 0.000) 0.890 2.423 ( 9.014 -4.563 0.000) 10.103 2.458 ( 11.156 -4.474 0.000) 12.020 2.811 ( -8.489 2.000 0.000) 8.721 2.831 ( -17.159 -0.728 0.000) 17.174 2.850 ( -12.676 0.631 0.000) 12.692 2.855 ( -1.782 3.264 0.000) 3.719 2.876 ( -1.577 -0.667 0.000) 1.712 2.892 ( -1.414 -0.462 0.000) 1.488 3.146 ( 2.972 6.398 0.000) 7.054 3.204 ( -2.671 5.966 0.000) 6.536 3.206 ( 2.704 0.533 0.000) 2.757 3.257 ( -2.232 0.890 0.000) 2.403 3.954 ( 3.021 -0.056 0.000) 3.021 3.964 ( 2.945 -0.934 0.000) 3.089 4.017 ( -3.209 0.874 0.000) 3.326 4.025 ( -3.312 0.109 0.000) 3.314 4.235 ( 0.177 5.086 0.000) 5.089 4.243 ( -0.603 4.410 0.000) 4.451 4.290 ( 0.786 -0.522 0.000) 0.944 4.302 ( -0.018 -1.428 0.000) 1.428 4.307 ( 2.260 1.952 0.000) 2.986 4.347 ( 2.322 -2.339 0.000) 3.296 4.348 ( -1.622 2.326 0.000) 2.836 4.398 ( -2.680 -1.536 0.000) 3.089 4.508 ( 0.460 0.880 0.000) 0.993 4.512 ( 0.083 0.209 0.000) 0.225 4.537 ( 0.513 -1.745 0.000) 1.819 4.543 ( -0.030 -2.135 0.000) 2.135 4.812 ( -0.436 2.542 0.000) 2.579 4.822 ( -1.551 2.261 0.000) 2.742 4.842 ( -0.222 -0.472 0.000) 0.521 4.851 ( -1.204 -0.527 0.000) 1.315 4.944 ( 0.779 2.449 0.000) 2.570 4.964 ( -1.187 2.343 0.000) 2.627 5.002 ( 1.035 -3.015 0.000) 3.187 5.019 ( -0.759 -3.032 0.000) 3.126 5.142 ( 1.530 0.981 0.000) 1.818 5.151 ( 0.026 0.633 0.000) 0.634 5.165 ( 0.496 -0.862 0.000) 0.994 5.167 ( 0.755 -1.533 0.000) 1.709 5.305 ( 5.454 -0.039 0.000) 5.454 5.314 ( 4.852 -1.031 0.000) 4.960 5.382 ( -1.798 -0.206 0.000) 1.810 5.385 ( -1.534 -0.446 0.000) 1.598 5.610 ( 0.369 1.599 0.000) 1.641 5.618 ( -0.439 1.912 0.000) 1.962 5.640 ( 0.809 -1.370 0.000) 1.591 5.654 ( -0.700 -1.748 0.000) 1.883 ======================= Grid point 65 (22/63) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.285 ( 0.000 0.000 14.302) 14.302 0.380 ( 0.000 0.000 18.650) 18.650 0.551 ( 0.000 0.000 26.547) 26.547 0.649 ( 0.000 0.000 -1.036) 1.036 0.752 ( 0.000 0.000 -1.034) 1.034 0.856 ( 0.000 0.000 -0.954) 0.954 0.908 ( 0.000 0.000 -3.737) 3.737 1.000 ( 0.000 0.000 -0.065) 0.065 1.031 ( 0.000 0.000 -0.106) 0.106 1.068 ( 0.000 0.000 5.073) 5.073 1.204 ( 0.000 0.000 2.495) 2.495 1.251 ( 0.000 0.000 -1.254) 1.254 1.345 ( 0.000 0.000 -3.669) 3.669 1.459 ( 0.000 0.000 -2.017) 2.017 1.485 ( 0.000 0.000 -13.622) 13.622 1.552 ( 0.000 0.000 2.015) 2.015 1.624 ( 0.000 0.000 -7.592) 7.592 1.646 ( 0.000 0.000 -1.909) 1.909 1.870 ( 0.000 0.000 2.110) 2.110 2.014 ( 0.000 0.000 0.428) 0.428 2.027 ( 0.000 0.000 0.028) 0.028 2.040 ( 0.000 0.000 0.011) 0.011 2.051 ( 0.000 0.000 -0.338) 0.338 2.147 ( 0.000 0.000 -6.763) 6.763 2.331 ( 0.000 0.000 5.739) 5.739 2.333 ( 0.000 0.000 4.444) 4.444 2.474 ( 0.000 0.000 0.324) 0.324 2.476 ( 0.000 0.000 -1.853) 1.853 2.544 ( 0.000 0.000 0.185) 0.185 2.636 ( 0.000 0.000 5.494) 5.494 2.676 ( 0.000 0.000 0.172) 0.172 2.726 ( 0.000 0.000 -3.329) 3.329 2.805 ( 0.000 0.000 1.293) 1.293 2.882 ( 0.000 0.000 -0.952) 0.952 3.550 ( 0.000 0.000 2.188) 2.188 3.648 ( 0.000 0.000 1.094) 1.094 3.665 ( 0.000 0.000 -2.581) 2.581 3.709 ( 0.000 0.000 -1.259) 1.259 3.779 ( 0.000 0.000 0.341) 0.341 3.803 ( 0.000 0.000 -0.898) 0.898 3.916 ( 0.000 0.000 0.331) 0.331 3.955 ( 0.000 0.000 -1.223) 1.223 3.969 ( 0.000 0.000 1.588) 1.588 4.012 ( 0.000 0.000 1.394) 1.394 4.029 ( 0.000 0.000 -1.034) 1.034 4.079 ( 0.000 0.000 -1.448) 1.448 4.200 ( 0.000 0.000 0.905) 0.905 4.250 ( 0.000 0.000 -1.268) 1.268 4.497 ( 0.000 0.000 -1.284) 1.284 4.508 ( 0.000 0.000 -2.880) 2.880 4.519 ( 0.000 0.000 1.697) 1.697 4.580 ( 0.000 0.000 1.871) 1.871 4.603 ( 0.000 0.000 -1.993) 1.993 4.642 ( 0.000 0.000 -0.701) 0.701 4.817 ( 0.000 0.000 0.804) 0.804 4.848 ( 0.000 0.000 0.190) 0.190 4.911 ( 0.000 0.000 1.458) 1.458 4.932 ( 0.000 0.000 0.041) 0.041 4.974 ( 0.000 0.000 1.308) 1.308 5.044 ( 0.000 0.000 5.713) 5.713 5.045 ( 0.000 0.000 -1.869) 1.869 5.182 ( 0.000 0.000 1.164) 1.164 5.263 ( 0.000 0.000 0.422) 0.422 5.305 ( 0.000 0.000 -3.658) 3.658 5.314 ( 0.000 0.000 -1.083) 1.083 5.361 ( 0.000 0.000 -1.482) 1.482 5.466 ( 0.000 0.000 0.334) 0.334 5.486 ( 0.000 0.000 -0.434) 0.434 5.633 ( 0.000 0.000 2.284) 2.284 5.711 ( 0.000 0.000 -1.190) 1.190 6.020 ( 0.000 0.000 0.565) 0.565 6.046 ( 0.000 0.000 -0.515) 0.515 ======================= Grid point 66 (23/63) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( 5.281 0.000 11.781) 12.910 0.497 ( 9.903 0.000 11.870) 15.458 0.730 ( 8.976 0.000 9.307) 12.930 0.771 ( 1.822 0.000 -1.040) 2.098 0.804 ( 8.120 0.000 -0.222) 8.123 0.845 ( -1.240 0.000 -0.601) 1.378 0.897 ( -1.147 0.000 -3.021) 3.232 0.981 ( -0.883 0.000 -2.677) 2.819 1.055 ( 3.208 0.000 0.384) 3.231 1.183 ( 3.971 0.000 1.958) 4.427 1.224 ( 2.265 0.000 2.776) 3.583 1.254 ( 9.078 0.000 3.661) 9.789 1.376 ( 3.085 0.000 -3.688) 4.808 1.514 ( -3.893 0.000 2.348) 4.546 1.520 ( 6.174 0.000 -3.150) 6.932 1.579 ( 10.125 0.000 -9.404) 13.818 1.621 ( -2.572 0.000 -2.144) 3.349 1.638 ( 1.222 0.000 -3.270) 3.491 1.892 ( 2.783 0.000 0.701) 2.870 2.016 ( 0.185 0.000 0.270) 0.328 2.024 ( -0.165 0.000 0.115) 0.201 2.035 ( -0.393 0.000 -0.016) 0.393 2.046 ( -0.437 0.000 -0.310) 0.536 2.047 ( -3.901 0.000 -1.636) 4.230 2.270 ( -5.130 0.000 7.113) 8.770 2.348 ( -3.846 0.000 1.745) 4.223 2.429 ( 1.624 0.000 3.823) 4.154 2.501 ( -1.234 0.000 1.232) 1.744 2.517 ( 2.559 0.000 -0.606) 2.630 2.568 ( -4.186 0.000 0.181) 4.190 2.722 ( 0.773 0.000 1.016) 1.276 2.779 ( -2.158 0.000 0.953) 2.359 2.787 ( 5.134 0.000 -4.022) 6.521 2.815 ( -1.714 0.000 -0.633) 1.827 3.397 ( -14.352 0.000 2.432) 14.556 3.522 ( -13.751 0.000 -2.865) 14.046 3.650 ( 0.202 0.000 1.012) 1.032 3.696 ( -1.119 0.000 -0.559) 1.251 3.786 ( 0.576 0.000 -0.383) 0.692 3.803 ( 0.025 0.000 -0.944) 0.944 3.923 ( 0.700 0.000 0.457) 0.836 3.961 ( 0.603 0.000 -1.097) 1.252 3.966 ( -0.369 0.000 1.448) 1.494 4.022 ( -0.738 0.000 -0.995) 1.239 4.145 ( 5.274 0.000 0.389) 5.288 4.220 ( 2.275 0.000 0.451) 2.319 4.249 ( 5.212 0.000 -3.476) 6.265 4.334 ( 10.689 0.000 -7.132) 12.850 4.478 ( -1.318 0.000 -1.046) 1.683 4.498 ( -0.439 0.000 -2.768) 2.803 4.523 ( 0.414 0.000 1.746) 1.794 4.572 ( -0.761 0.000 1.862) 2.012 4.607 ( 0.380 0.000 -1.872) 1.910 4.638 ( -0.369 0.000 -0.853) 0.929 4.739 ( -5.996 0.000 4.760) 7.656 4.813 ( -8.726 0.000 2.732) 9.144 4.849 ( -0.734 0.000 -0.898) 1.160 4.870 ( -3.738 0.000 0.102) 3.739 4.925 ( 1.294 0.000 0.681) 1.462 4.988 ( -1.055 0.000 -1.054) 1.491 5.143 ( 2.302 0.000 2.975) 3.761 5.242 ( -0.995 0.000 -0.757) 1.250 5.263 ( 3.433 0.000 -0.985) 3.572 5.337 ( 0.824 0.000 -1.857) 2.032 5.374 ( 4.508 0.000 -0.734) 4.567 5.452 ( 5.870 0.000 -3.539) 6.854 5.527 ( 5.499 0.000 -0.590) 5.530 5.553 ( 6.411 0.000 -1.642) 6.618 5.645 ( 1.388 0.000 2.894) 3.210 5.741 ( 2.594 0.000 -1.237) 2.874 5.931 ( -6.490 0.000 3.241) 7.254 6.002 ( -4.270 0.000 -0.919) 4.367 ======================= Grid point 67 (24/63) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 8.180 0.000 1.762) 8.368 0.681 ( 8.145 0.000 4.323) 9.221 0.706 ( -9.820 0.000 -1.287) 9.904 0.792 ( -2.966 0.000 -0.221) 2.974 0.823 ( 1.661 0.000 -0.216) 1.675 0.834 ( 3.383 0.000 -3.589) 4.932 0.865 ( -2.092 0.000 -1.672) 2.678 0.917 ( -5.022 0.000 -5.098) 7.156 1.216 ( 6.529 0.000 3.813) 7.561 1.272 ( 2.904 0.000 2.695) 3.962 1.296 ( 5.238 0.000 3.263) 6.171 1.412 ( -6.144 0.000 2.938) 6.810 1.424 ( 6.974 0.000 8.246) 10.800 1.456 ( 4.749 0.000 -3.278) 5.771 1.549 ( -4.345 0.000 1.433) 4.575 1.550 ( -4.605 0.000 -2.725) 5.351 1.738 ( 8.795 0.000 -1.279) 8.888 1.797 ( 4.280 0.000 -4.106) 5.931 2.017 ( 10.559 0.000 -1.127) 10.619 2.020 ( 0.187 0.000 -0.009) 0.187 2.024 ( -0.020 0.000 -0.091) 0.093 2.028 ( -0.056 0.000 0.172) 0.181 2.036 ( -0.569 0.000 -0.138) 0.585 2.064 ( 4.202 0.000 -4.333) 6.036 2.211 ( 0.331 0.000 4.694) 4.705 2.283 ( -2.086 0.000 1.416) 2.521 2.366 ( -4.164 0.000 1.409) 4.396 2.461 ( -7.991 0.000 -1.973) 8.231 2.552 ( 4.622 0.000 2.185) 5.113 2.588 ( 2.706 0.000 -0.587) 2.769 2.696 ( -2.266 0.000 3.530) 4.195 2.718 ( -3.415 0.000 1.627) 3.783 2.859 ( 6.486 0.000 -2.337) 6.894 2.924 ( 9.333 0.000 -3.975) 10.145 3.083 ( -15.224 0.000 1.078) 15.262 3.203 ( -17.405 0.000 -3.439) 17.742 3.658 ( 0.606 0.000 0.751) 0.965 3.674 ( -1.070 0.000 0.258) 1.101 3.796 ( 0.434 0.000 -1.008) 1.098 3.802 ( -0.184 0.000 -1.074) 1.090 3.940 ( 0.907 0.000 0.740) 1.171 3.955 ( -0.702 0.000 1.124) 1.325 3.978 ( 1.168 0.000 -0.933) 1.495 4.002 ( -1.232 0.000 -0.919) 1.537 4.225 ( 3.014 0.000 0.512) 3.057 4.256 ( 0.373 0.000 0.681) 0.776 4.326 ( 3.526 0.000 -0.877) 3.634 4.388 ( -2.727 0.000 -2.413) 3.641 4.504 ( 3.763 0.000 0.085) 3.764 4.535 ( 0.834 0.000 1.837) 2.017 4.545 ( 3.762 0.000 -1.193) 3.947 4.554 ( -1.044 0.000 1.877) 2.148 4.617 ( 0.599 0.000 -1.601) 1.709 4.629 ( -0.597 0.000 -1.216) 1.355 4.632 ( -4.483 0.000 2.547) 5.156 4.670 ( -5.771 0.000 1.284) 5.912 4.828 ( -0.688 0.000 -0.605) 0.917 4.833 ( -1.013 0.000 -0.952) 1.390 4.951 ( 1.218 0.000 0.129) 1.225 4.970 ( -0.852 0.000 -0.229) 0.882 5.175 ( 1.495 0.000 1.167) 1.896 5.206 ( -1.857 0.000 -0.175) 1.865 5.309 ( 1.436 0.000 -2.706) 3.063 5.331 ( -0.862 0.000 -3.015) 3.136 5.482 ( 4.375 0.000 0.902) 4.467 5.514 ( 0.965 0.000 -0.392) 1.041 5.621 ( 3.577 0.000 -0.216) 3.584 5.643 ( 1.518 0.000 -0.727) 1.683 5.706 ( 5.077 0.000 2.743) 5.770 5.787 ( 0.158 0.000 1.865) 1.872 5.827 ( -1.944 0.000 -0.378) 1.981 5.901 ( -5.679 0.000 -1.385) 5.845 ======================= Grid point 70 (25/63) ======================= q-point: ( 0.00 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( 0.000 9.717 8.359) 12.818 0.431 ( 0.000 12.349 8.540) 15.014 0.697 ( 0.000 6.035 -2.261) 6.444 0.873 ( 0.000 -0.657 -5.799) 5.836 0.883 ( 0.000 19.356 9.418) 21.526 0.918 ( 0.000 12.821 -1.183) 12.875 1.024 ( 0.000 12.768 3.669) 13.285 1.025 ( 0.000 0.280 -0.062) 0.287 1.062 ( 0.000 5.637 2.736) 6.266 1.094 ( 0.000 3.019 -1.302) 3.288 1.135 ( 0.000 -4.532 0.047) 4.532 1.334 ( 0.000 -2.101 -2.840) 3.533 1.344 ( 0.000 3.409 -0.681) 3.477 1.383 ( 0.000 -7.014 -1.420) 7.157 1.548 ( 0.000 10.790 -7.123) 12.929 1.628 ( 0.000 7.004 -5.255) 8.756 1.722 ( 0.000 1.325 0.024) 1.325 1.741 ( 0.000 4.075 -0.539) 4.110 1.871 ( 0.000 6.388 -2.739) 6.951 1.952 ( 0.000 -1.890 -0.474) 1.949 2.070 ( 0.000 4.622 -1.683) 4.919 2.074 ( 0.000 4.310 -2.026) 4.762 2.164 ( 0.000 9.189 1.770) 9.358 2.236 ( 0.000 7.162 -1.903) 7.410 2.337 ( 0.000 1.083 4.668) 4.792 2.344 ( 0.000 1.347 5.609) 5.769 2.471 ( 0.000 -2.877 2.627) 3.896 2.472 ( 0.000 0.031 -0.324) 0.325 2.484 ( 0.000 -4.929 4.888) 6.941 2.530 ( 0.000 -1.300 0.578) 1.423 2.579 ( 0.000 -4.549 2.253) 5.077 2.700 ( 0.000 -3.469 0.805) 3.561 2.723 ( 0.000 -3.040 -2.092) 3.690 2.784 ( 0.000 -1.662 -0.459) 1.724 3.520 ( 0.000 -1.506 2.369) 2.807 3.630 ( 0.000 -3.069 -2.337) 3.858 3.789 ( 0.000 6.509 0.866) 6.566 3.851 ( 0.000 7.041 -1.501) 7.199 3.884 ( 0.000 3.429 0.280) 3.440 3.903 ( 0.000 1.935 -0.075) 1.937 3.969 ( 0.000 2.648 0.801) 2.766 3.981 ( 0.000 5.422 0.071) 5.422 4.009 ( 0.000 4.880 0.456) 4.901 4.101 ( 0.000 2.411 -0.829) 2.549 4.110 ( 0.000 5.071 -0.251) 5.078 4.202 ( 0.000 0.547 0.649) 0.849 4.249 ( 0.000 0.017 -1.166) 1.166 4.263 ( 0.000 17.009 -17.196) 24.187 4.492 ( 0.000 -0.440 -1.082) 1.168 4.494 ( 0.000 -0.961 -1.566) 1.837 4.569 ( 0.000 4.129 0.614) 4.175 4.572 ( 0.000 -0.610 2.555) 2.627 4.633 ( 0.000 2.562 -1.705) 3.078 4.652 ( 0.000 1.424 -0.817) 1.642 4.839 ( 0.000 -1.082 1.152) 1.580 4.843 ( 0.000 1.567 -1.234) 1.995 4.898 ( 0.000 -1.144 0.761) 1.374 4.919 ( 0.000 -1.513 -0.074) 1.515 4.978 ( 0.000 0.322 1.282) 1.322 5.031 ( 0.000 -1.650 -1.123) 1.996 5.038 ( 0.000 -0.547 3.791) 3.830 5.219 ( 0.000 2.207 -3.229) 3.911 5.253 ( 0.000 -1.023 0.950) 1.396 5.254 ( 0.000 -4.224 -2.214) 4.769 5.310 ( 0.000 -0.306 -1.357) 1.391 5.346 ( 0.000 -1.064 -1.820) 2.108 5.458 ( 0.000 -0.761 0.307) 0.820 5.474 ( 0.000 -1.166 -0.367) 1.222 5.616 ( 0.000 -1.577 2.106) 2.631 5.686 ( 0.000 -2.563 -0.807) 2.687 5.876 ( 0.000 -8.397 8.210) 11.744 5.986 ( 0.000 -5.806 -0.706) 5.848 ======================= Grid point 71 (26/63) ======================= q-point: ( 0.20 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( 7.793 6.636 5.355) 11.551 0.550 ( 4.661 7.682 7.475) 11.688 0.793 ( 3.740 3.769 -1.326) 5.472 0.848 ( -1.351 0.794 -6.435) 6.623 0.898 ( 1.297 11.989 0.243) 12.062 0.950 ( 0.655 10.475 -1.668) 10.627 1.015 ( -1.000 2.404 0.609) 2.674 1.067 ( 3.266 2.737 -0.603) 4.303 1.091 ( 1.818 11.038 2.534) 11.470 1.134 ( 5.403 4.002 2.459) 7.160 1.247 ( 11.929 2.913 5.242) 13.352 1.376 ( 3.057 -0.793 -0.821) 3.263 1.385 ( 2.962 -3.273 0.685) 4.467 1.430 ( 4.714 4.933 -2.812) 7.380 1.499 ( 0.415 4.462 -2.553) 5.157 1.680 ( 3.910 8.075 -4.748) 10.151 1.693 ( 0.382 1.550 -0.046) 1.598 1.727 ( -2.281 1.608 -0.504) 2.836 1.868 ( -0.099 3.785 -0.490) 3.818 1.937 ( 0.462 1.190 -1.731) 2.151 2.059 ( -0.940 3.788 -0.911) 4.008 2.085 ( 1.639 4.653 -2.024) 5.332 2.157 ( -0.633 9.445 1.564) 9.595 2.209 ( -1.316 8.681 -0.829) 8.820 2.295 ( -3.280 2.756 4.798) 6.432 2.362 ( -3.562 1.548 1.689) 4.235 2.404 ( 1.440 -1.802 4.308) 4.887 2.493 ( -0.687 -0.678 1.393) 1.695 2.513 ( 3.360 -0.069 -1.403) 3.641 2.535 ( -3.029 -2.761 -0.840) 4.183 2.657 ( 7.712 -6.568 0.593) 10.147 2.694 ( -0.957 -3.798 2.845) 4.841 2.755 ( -0.148 -2.535 -1.676) 3.043 2.775 ( 2.168 -1.337 -1.745) 3.087 3.374 ( -14.181 -1.540 2.200) 14.433 3.484 ( -13.903 -3.274 -2.527) 14.505 3.779 ( -0.922 6.941 0.479) 7.018 3.818 ( -3.070 7.115 -1.041) 7.819 3.867 ( -0.467 6.245 0.192) 6.265 3.886 ( -0.916 6.139 -0.491) 6.226 3.981 ( 0.314 2.211 0.429) 2.274 3.983 ( 0.424 4.169 0.342) 4.205 4.003 ( -0.234 3.845 -0.070) 3.853 4.041 ( -2.643 4.787 -1.352) 5.633 4.170 ( 4.538 2.699 0.796) 5.339 4.231 ( 2.652 1.231 0.955) 3.075 4.263 ( 2.643 0.892 -1.839) 3.341 4.378 ( 5.231 3.246 -8.325) 10.354 4.473 ( -1.517 -0.712 -0.852) 1.880 4.487 ( -0.209 -0.361 -1.731) 1.780 4.561 ( -1.045 -0.778 2.537) 2.852 4.576 ( 0.824 4.230 0.630) 4.356 4.635 ( -0.394 1.233 -1.019) 1.647 4.645 ( -0.177 2.212 -1.178) 2.512 4.771 ( -4.872 2.252 2.324) 5.848 4.826 ( -7.695 1.331 2.171) 8.106 4.850 ( -0.776 -0.014 -1.151) 1.388 4.870 ( -4.227 0.276 0.205) 4.241 4.911 ( 1.169 -1.352 0.478) 1.850 4.962 ( -1.139 -2.574 -0.686) 2.897 5.137 ( 2.254 -0.528 2.263) 3.238 5.225 ( -1.779 -2.259 -0.998) 3.044 5.263 ( 4.508 0.105 0.180) 4.513 5.324 ( 1.047 -0.934 -1.586) 2.118 5.364 ( 3.268 -0.800 -1.478) 3.675 5.425 ( 7.195 -2.692 -4.080) 8.698 5.511 ( 4.754 -1.590 -0.412) 5.029 5.528 ( 5.293 -2.262 -0.933) 5.831 5.628 ( 1.252 -1.632 2.542) 3.270 5.715 ( 2.645 -2.908 -1.356) 4.158 5.835 ( -3.594 -6.478 6.534) 9.879 5.947 ( -3.762 -5.299 -0.982) 6.572 ======================= Grid point 72 (27/63) ======================= q-point: ( 0.40 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 3.661 4.517 0.710) 5.857 0.587 ( -0.092 0.953 2.475) 2.654 0.810 ( 0.165 2.157 -3.677) 4.266 0.816 ( -1.095 2.714 -5.397) 6.139 0.931 ( 0.363 8.189 -0.730) 8.229 0.962 ( 3.276 10.019 -0.777) 10.570 0.969 ( -3.102 9.199 1.915) 9.895 1.033 ( -3.659 9.229 -1.282) 10.010 1.168 ( 4.875 -1.476 3.130) 5.978 1.230 ( -0.369 1.237 0.264) 1.317 1.348 ( 1.509 2.151 2.646) 3.729 1.379 ( -1.323 -0.997 2.356) 2.880 1.503 ( 6.990 6.853 2.415) 10.082 1.534 ( 5.799 4.917 -0.972) 7.665 1.622 ( -4.231 4.744 -0.052) 6.357 1.644 ( -5.029 3.088 -0.933) 5.975 1.686 ( 11.212 -0.177 1.319) 11.291 1.808 ( -1.447 4.529 -0.261) 4.761 1.951 ( 7.714 0.866 -3.381) 8.467 1.968 ( 1.824 1.249 -3.348) 4.012 2.071 ( 4.960 4.045 1.886) 6.673 2.141 ( -0.729 8.341 1.659) 8.536 2.172 ( 7.040 6.744 -1.949) 9.941 2.199 ( 1.204 7.524 -0.656) 7.648 2.253 ( -1.044 5.239 1.972) 5.694 2.293 ( -3.655 1.450 1.589) 4.241 2.359 ( -3.683 -0.117 0.665) 3.744 2.440 ( -7.585 -1.997 -1.812) 8.050 2.537 ( 4.104 -1.085 2.429) 4.891 2.580 ( 1.673 -0.820 -0.481) 1.924 2.666 ( -0.697 -2.557 2.810) 3.862 2.706 ( -3.296 -1.040 0.340) 3.473 2.805 ( 8.898 -3.809 -0.434) 9.689 2.892 ( 9.335 -2.989 -3.219) 10.317 3.053 ( -16.472 -2.193 1.522) 16.686 3.164 ( -17.426 -3.558 -2.976) 18.033 3.765 ( -0.317 7.524 0.111) 7.532 3.773 ( -1.354 8.125 -0.167) 8.238 3.866 ( 0.160 6.123 -0.344) 6.135 3.872 ( -0.520 6.071 -0.554) 6.118 3.983 ( 0.145 3.613 0.390) 3.637 3.987 ( -0.174 3.457 0.478) 3.494 4.005 ( 0.366 2.690 -0.469) 2.755 4.014 ( -0.648 1.976 -0.601) 2.164 4.242 ( 2.913 1.851 0.470) 3.483 4.271 ( 0.505 1.657 0.695) 1.866 4.328 ( 3.358 0.378 -0.667) 3.445 4.388 ( -2.668 0.129 -2.160) 3.436 4.469 ( 1.571 -2.073 0.716) 2.698 4.503 ( -0.339 -2.283 1.034) 2.529 4.552 ( 1.463 -0.418 0.040) 1.522 4.595 ( -1.029 1.757 0.413) 2.077 4.615 ( 1.127 1.997 0.331) 2.317 4.660 ( 1.004 3.083 -1.129) 3.433 4.685 ( -3.991 4.132 1.080) 5.846 4.708 ( -3.890 3.173 0.464) 5.041 4.826 ( -0.832 -0.160 -0.731) 1.119 4.830 ( -0.955 -0.204 -1.030) 1.420 4.933 ( 0.976 -1.797 0.328) 2.071 4.948 ( -0.602 -2.302 0.077) 2.380 5.164 ( 1.166 -0.956 0.991) 1.804 5.190 ( -1.641 -1.562 -0.040) 2.266 5.310 ( 1.148 0.102 -2.287) 2.561 5.326 ( -0.561 -0.399 -2.560) 2.651 5.464 ( 4.597 -1.781 0.700) 4.979 5.499 ( 1.061 -1.570 -0.682) 2.013 5.593 ( 3.207 -2.768 -0.526) 4.269 5.614 ( 1.684 -3.006 -1.414) 3.725 5.676 ( 4.139 -2.687 3.108) 5.832 5.758 ( -4.100 -4.722 3.541) 7.187 5.774 ( 3.437 -2.589 -1.190) 4.465 5.858 ( -5.018 -4.089 -1.250) 6.593 ======================= Grid point 75 (28/63) ======================= q-point: ( 0.00 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 0.000 19.815 -4.813) 20.391 0.683 ( 0.000 12.822 3.921) 13.408 0.837 ( 0.000 7.985 -1.803) 8.186 0.882 ( 0.000 2.810 -8.489) 8.942 1.015 ( 0.000 1.333 -3.697) 3.930 1.042 ( 0.000 -2.806 -0.795) 2.917 1.113 ( 0.000 4.988 -0.082) 4.988 1.117 ( 0.000 5.580 -1.321) 5.734 1.181 ( 0.000 8.123 -3.115) 8.699 1.224 ( 0.000 3.447 -2.480) 4.246 1.327 ( 0.000 4.476 2.061) 4.928 1.334 ( 0.000 8.702 1.439) 8.820 1.419 ( 0.000 18.366 10.283) 21.049 1.449 ( 0.000 3.780 7.442) 8.347 1.638 ( 0.000 0.291 0.975) 1.017 1.673 ( 0.000 1.498 -2.163) 2.631 1.786 ( 0.000 3.728 1.867) 4.169 1.790 ( 0.000 4.689 -3.740) 5.998 2.061 ( 0.000 11.328 -1.884) 11.483 2.077 ( 0.000 10.487 -0.458) 10.497 2.155 ( 0.000 4.805 -1.462) 5.022 2.213 ( 0.000 9.152 -4.289) 10.107 2.308 ( 0.000 4.632 2.635) 5.329 2.368 ( 0.000 1.272 0.512) 1.371 2.386 ( 0.000 4.877 -0.030) 4.877 2.401 ( 0.000 5.463 2.558) 6.033 2.432 ( 0.000 1.221 2.608) 2.880 2.469 ( 0.000 -1.902 -0.829) 2.074 2.490 ( 0.000 3.347 -1.849) 3.824 2.506 ( 0.000 -0.607 0.106) 0.616 2.529 ( 0.000 1.680 0.633) 1.795 2.638 ( 0.000 -1.679 2.735) 3.209 2.672 ( 0.000 -2.358 -2.032) 3.113 2.750 ( 0.000 -1.905 -1.630) 2.507 3.490 ( 0.000 -1.590 1.491) 2.180 3.556 ( 0.000 -4.346 -1.320) 4.542 3.864 ( 0.000 -1.120 1.014) 1.511 3.909 ( 0.000 0.891 -0.819) 1.210 3.928 ( 0.000 6.611 2.587) 7.099 4.011 ( 0.000 7.506 -1.206) 7.602 4.078 ( 0.000 4.705 -0.208) 4.710 4.100 ( 0.000 5.574 -0.726) 5.622 4.127 ( 0.000 5.364 1.722) 5.634 4.151 ( 0.000 2.327 0.313) 2.348 4.230 ( 0.000 7.185 0.362) 7.194 4.246 ( 0.000 4.861 -0.156) 4.864 4.263 ( 0.000 2.148 -0.328) 2.173 4.391 ( 0.000 -0.327 -6.220) 6.229 4.459 ( 0.000 -2.922 0.048) 2.922 4.482 ( 0.000 -1.100 -0.475) 1.198 4.537 ( 0.000 -3.697 4.227) 5.615 4.667 ( 0.000 5.309 0.317) 5.318 4.679 ( 0.000 2.241 -2.420) 3.298 4.704 ( 0.000 3.253 -1.119) 3.440 4.815 ( 0.000 -0.328 0.852) 0.913 4.848 ( 0.000 -1.848 -0.768) 2.001 4.873 ( 0.000 -1.832 0.136) 1.837 4.889 ( 0.000 0.644 -0.827) 1.048 4.987 ( 0.000 0.679 0.779) 1.034 4.995 ( 0.000 -1.600 0.191) 1.611 5.023 ( 0.000 -1.032 1.169) 1.560 5.142 ( 0.000 -4.969 -4.842) 6.938 5.228 ( 0.000 -1.295 1.156) 1.736 5.246 ( 0.000 -1.209 0.456) 1.292 5.307 ( 0.000 -0.045 -0.549) 0.551 5.344 ( 0.000 0.795 -3.288) 3.382 5.440 ( 0.000 -1.075 0.203) 1.094 5.443 ( 0.000 -1.946 -0.063) 1.947 5.582 ( 0.000 -1.710 1.421) 2.223 5.623 ( 0.000 -3.346 0.376) 3.367 5.773 ( 0.000 -3.003 4.143) 5.117 5.851 ( 0.000 -7.365 -0.397) 7.376 ======================= Grid point 76 (29/63) ======================= q-point: ( 0.20 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 2.196 16.528 -2.551) 16.867 0.739 ( 1.058 10.843 1.837) 11.048 0.881 ( -0.004 4.137 -6.073) 7.349 0.891 ( 1.833 5.506 -2.183) 6.200 1.026 ( 0.961 1.124 -1.700) 2.253 1.045 ( 1.046 0.848 -2.080) 2.478 1.114 ( 1.931 7.319 0.861) 7.618 1.162 ( 0.834 6.572 1.563) 6.807 1.194 ( 2.576 5.262 -2.337) 6.308 1.303 ( 5.432 3.049 -3.484) 7.138 1.361 ( 0.421 4.545 3.244) 5.600 1.398 ( 4.890 7.353 1.069) 8.895 1.460 ( 5.328 3.442 4.019) 7.509 1.507 ( 10.107 13.655 6.087) 18.046 1.626 ( -1.155 1.088 0.076) 1.588 1.703 ( 2.342 1.686 -1.991) 3.506 1.735 ( -3.427 6.618 -0.381) 7.462 1.810 ( 4.510 4.810 1.102) 6.685 2.045 ( -1.323 11.051 -1.542) 11.236 2.077 ( 0.027 10.072 -0.938) 10.115 2.163 ( 0.616 5.187 0.199) 5.227 2.196 ( -1.100 9.225 -3.498) 9.927 2.321 ( 1.246 4.961 0.183) 5.119 2.350 ( -2.118 2.801 1.615) 3.865 2.356 ( -1.458 2.380 -0.364) 2.815 2.392 ( -1.965 4.725 2.778) 5.823 2.425 ( 0.059 2.976 0.083) 2.977 2.487 ( -0.584 -0.349 -1.141) 1.328 2.506 ( 1.308 3.664 -0.241) 3.897 2.535 ( 1.929 2.269 -0.561) 3.031 2.564 ( 4.575 -3.034 1.114) 5.601 2.649 ( 1.611 -0.590 3.271) 3.694 2.693 ( 1.525 -3.506 -2.888) 4.792 2.745 ( 0.138 -1.833 -0.879) 2.038 3.345 ( -14.198 -1.502 1.497) 14.355 3.411 ( -14.051 -4.168 -1.320) 14.715 3.879 ( 1.137 0.704 0.945) 1.638 3.908 ( -0.664 4.811 1.060) 4.971 3.926 ( 0.691 1.618 0.685) 1.888 4.000 ( -1.079 6.691 -1.206) 6.883 4.067 ( -0.923 5.149 -0.083) 5.232 4.093 ( -1.797 5.361 0.982) 5.739 4.095 ( -0.581 5.258 -0.887) 5.364 4.135 ( -2.184 3.378 -0.692) 4.082 4.252 ( 2.275 5.375 -0.003) 5.837 4.280 ( 2.500 3.420 -0.641) 4.285 4.294 ( 3.067 3.480 1.125) 4.773 4.402 ( 0.507 -1.122 -3.651) 3.853 4.445 ( -1.276 -2.101 0.404) 2.491 4.476 ( -0.445 -1.431 -0.578) 1.606 4.525 ( -0.794 -3.169 3.169) 4.551 4.659 ( -2.230 1.826 -2.465) 3.793 4.675 ( 0.604 4.961 0.263) 5.004 4.704 ( 0.498 2.981 -0.840) 3.137 4.804 ( -0.959 1.868 0.634) 2.193 4.836 ( -1.584 -1.221 -0.787) 2.149 4.856 ( -2.561 0.345 0.549) 2.641 4.876 ( -4.517 -0.473 -0.195) 4.546 4.891 ( -0.878 0.229 0.344) 0.970 4.916 ( -2.449 -0.249 0.065) 2.462 5.123 ( 3.013 -1.027 0.848) 3.294 5.168 ( 0.209 -2.906 -1.210) 3.154 5.248 ( 4.073 -1.780 1.858) 4.817 5.312 ( 0.801 -0.670 -1.157) 1.558 5.339 ( 4.015 -2.577 -0.717) 4.825 5.377 ( 4.752 -0.776 -4.401) 6.523 5.471 ( 2.868 -2.419 0.187) 3.757 5.482 ( 3.495 -2.301 -0.432) 4.207 5.591 ( 0.967 -1.894 1.552) 2.632 5.636 ( 1.170 -4.215 0.602) 4.416 5.756 ( -1.511 -2.303 3.139) 4.176 5.825 ( -2.461 -6.546 -0.519) 7.012 ======================= Grid point 77 (30/63) ======================= q-point: ( 0.40 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 0.346 11.284 -0.313) 11.293 0.723 ( -1.249 11.184 -0.387) 11.260 0.880 ( 0.407 4.985 -3.364) 6.028 0.893 ( -0.649 5.669 -2.255) 6.136 1.046 ( 1.514 3.719 -0.376) 4.033 1.067 ( 0.172 3.262 -0.934) 3.397 1.154 ( 1.349 7.713 0.093) 7.830 1.181 ( -0.645 5.118 -0.372) 5.172 1.219 ( 3.066 5.256 4.354) 7.482 1.301 ( -4.407 4.006 4.987) 7.768 1.394 ( 4.073 3.383 -3.096) 6.133 1.447 ( -0.547 5.441 -2.196) 5.892 1.592 ( 1.201 4.978 -0.893) 5.198 1.592 ( 1.412 3.256 -0.450) 3.577 1.629 ( 1.688 0.035 1.060) 1.993 1.692 ( -2.562 2.691 -1.362) 3.958 1.860 ( 12.165 13.881 3.846) 18.854 1.996 ( -0.033 11.416 -0.676) 11.436 2.030 ( 8.290 5.774 -0.808) 10.135 2.084 ( 0.827 8.591 -2.568) 9.005 2.178 ( 3.190 6.976 1.694) 7.855 2.224 ( 4.270 3.004 -0.336) 5.231 2.305 ( -3.506 0.630 1.521) 3.873 2.322 ( -0.315 4.531 0.821) 4.615 2.332 ( -2.170 7.789 1.247) 8.181 2.375 ( -2.663 2.455 -1.643) 3.977 2.391 ( 0.070 3.871 -1.368) 4.106 2.448 ( -3.001 5.793 -1.792) 6.766 2.538 ( 1.978 2.283 2.349) 3.826 2.565 ( -0.055 0.168 1.035) 1.050 2.630 ( 2.929 -0.661 0.317) 3.019 2.683 ( -2.162 -1.254 -1.561) 2.947 2.750 ( 9.291 -1.842 1.349) 9.567 2.818 ( 8.386 -4.439 -1.318) 9.579 3.016 ( -17.698 -1.722 1.464) 17.842 3.084 ( -17.842 -4.438 -1.426) 18.441 3.891 ( 0.114 4.319 1.077) 4.452 3.895 ( -0.458 5.346 1.381) 5.541 3.950 ( 1.464 1.148 -0.324) 1.888 3.976 ( -1.274 4.251 -0.964) 4.542 4.055 ( 0.010 4.693 0.174) 4.696 4.067 ( -1.002 4.184 0.286) 4.312 4.089 ( -0.038 5.452 -1.000) 5.543 4.099 ( -1.207 4.681 -0.929) 4.922 4.301 ( 2.388 4.013 -0.098) 4.671 4.323 ( 0.948 3.526 -0.266) 3.661 4.347 ( 2.304 1.673 0.278) 2.861 4.392 ( -1.768 -0.183 -1.438) 2.286 4.427 ( 0.458 -2.018 1.698) 2.676 4.457 ( -1.724 -2.561 2.127) 3.749 4.536 ( 2.268 -1.242 -0.678) 2.674 4.597 ( -3.678 0.229 -1.679) 4.049 4.700 ( 2.005 4.455 0.423) 4.904 4.723 ( 1.156 3.183 -0.882) 3.500 4.764 ( -3.113 3.410 0.860) 4.696 4.775 ( -2.583 3.515 -0.095) 4.363 4.823 ( -0.757 -0.156 -0.446) 0.893 4.826 ( -0.716 -0.170 -0.714) 1.025 4.895 ( 0.307 -1.307 0.616) 1.478 4.899 ( -0.242 -1.354 0.605) 1.503 5.146 ( 0.470 -0.793 0.472) 1.036 5.156 ( -0.756 -1.606 0.019) 1.776 5.309 ( 1.029 -0.561 -0.762) 1.398 5.317 ( -0.102 -0.527 -1.262) 1.371 5.420 ( 4.861 -2.575 0.310) 5.509 5.460 ( 1.438 -2.200 -1.349) 2.954 5.525 ( 2.215 -4.150 -0.833) 4.777 5.539 ( 1.425 -4.008 -1.477) 4.503 5.619 ( 1.953 -2.990 2.187) 4.188 5.650 ( -0.449 -5.146 1.694) 5.436 5.736 ( 0.216 -1.751 0.554) 1.849 5.770 ( -2.846 -4.364 -0.543) 5.238 ======================= Grid point 80 (31/63) ======================= q-point: ( 0.00 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 0.000 8.541 1.646) 8.698 0.956 ( 0.000 6.720 -0.973) 6.790 0.979 ( 0.000 2.261 -1.561) 2.748 0.986 ( 0.000 6.490 -3.944) 7.594 1.073 ( 0.000 5.276 -3.517) 6.341 1.074 ( 0.000 12.644 -2.205) 12.835 1.221 ( 0.000 5.735 0.795) 5.790 1.222 ( 0.000 3.881 -0.788) 3.960 1.249 ( 0.000 3.984 0.127) 3.986 1.254 ( 0.000 3.066 -1.900) 3.608 1.449 ( 0.000 -2.425 9.324) 9.635 1.466 ( 0.000 6.313 2.517) 6.796 1.559 ( 0.000 9.499 -0.524) 9.513 1.560 ( 0.000 1.592 0.775) 1.771 1.746 ( 0.000 5.434 -2.900) 6.159 1.763 ( 0.000 6.830 1.262) 6.945 1.849 ( 0.000 3.384 1.805) 3.836 1.880 ( 0.000 4.262 -2.308) 4.847 2.216 ( 0.000 -0.060 -0.607) 0.610 2.254 ( 0.000 4.551 -1.595) 4.822 2.290 ( 0.000 2.607 2.008) 3.291 2.318 ( 0.000 10.564 1.382) 10.653 2.348 ( 0.000 -1.213 -0.502) 1.313 2.410 ( 0.000 0.710 -2.325) 2.431 2.412 ( 0.000 0.731 1.855) 1.994 2.461 ( 0.000 3.411 1.313) 3.655 2.465 ( 0.000 1.086 0.816) 1.359 2.526 ( 0.000 11.083 -1.595) 11.197 2.547 ( 0.000 6.511 -0.748) 6.554 2.568 ( 0.000 -0.657 -0.867) 1.088 2.635 ( 0.000 7.518 0.086) 7.519 2.645 ( 0.000 6.044 -0.342) 6.054 2.721 ( 0.000 0.248 0.493) 0.552 2.736 ( 0.000 8.650 -0.029) 8.650 3.458 ( 0.000 -1.768 0.212) 1.780 3.472 ( 0.000 -4.159 -0.334) 4.173 3.868 ( 0.000 1.777 1.440) 2.287 3.943 ( 0.000 2.681 -1.887) 3.278 4.030 ( 0.000 3.498 3.945) 5.272 4.106 ( 0.000 2.174 0.963) 2.378 4.145 ( 0.000 2.550 -0.849) 2.687 4.180 ( 0.000 1.734 -1.193) 2.104 4.194 ( 0.000 2.158 -0.033) 2.159 4.215 ( 0.000 5.467 -1.710) 5.728 4.308 ( 0.000 -6.004 -1.497) 6.187 4.309 ( 0.000 0.396 -0.711) 0.814 4.332 ( 0.000 1.355 -0.687) 1.519 4.367 ( 0.000 4.117 -1.349) 4.333 4.386 ( 0.000 -3.886 2.074) 4.404 4.438 ( 0.000 -2.239 0.291) 2.258 4.457 ( 0.000 -0.758 5.751) 5.801 4.706 ( 0.000 0.563 -3.234) 3.283 4.748 ( 0.000 -0.366 -2.470) 2.497 4.753 ( 0.000 3.436 -0.413) 3.461 4.807 ( 0.000 1.092 0.845) 1.381 4.846 ( 0.000 2.732 -0.406) 2.762 4.887 ( 0.000 1.941 1.074) 2.219 4.918 ( 0.000 1.469 -1.434) 2.052 4.974 ( 0.000 -0.527 1.025) 1.153 4.992 ( 0.000 0.080 0.858) 0.862 5.025 ( 0.000 1.822 -0.747) 1.969 5.072 ( 0.000 -2.279 -4.025) 4.626 5.210 ( 0.000 -0.404 0.551) 0.684 5.211 ( 0.000 -1.863 1.489) 2.385 5.301 ( 0.000 -0.831 1.358) 1.592 5.352 ( 0.000 -0.234 -1.692) 1.708 5.401 ( 0.000 -2.375 0.400) 2.408 5.411 ( 0.000 -2.072 0.583) 2.152 5.560 ( 0.000 -0.352 0.471) 0.588 5.578 ( 0.000 -1.201 -0.097) 1.204 5.729 ( 0.000 -4.887 0.482) 4.911 5.735 ( 0.000 -1.313 0.438) 1.384 ======================= Grid point 81 (32/63) ======================= q-point: ( 0.20 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 0.430 7.676 1.220) 7.784 0.963 ( -1.147 4.954 -1.489) 5.299 0.969 ( 0.454 5.616 -1.525) 5.837 1.008 ( 0.578 5.403 -1.376) 5.605 1.083 ( 2.209 6.740 -1.885) 7.339 1.103 ( 1.946 7.667 -2.632) 8.337 1.229 ( 0.354 4.134 0.128) 4.151 1.239 ( 0.770 1.459 -0.496) 1.723 1.284 ( 4.412 6.575 0.981) 7.979 1.357 ( 4.671 4.791 -0.814) 6.741 1.444 ( 0.424 0.124 5.939) 5.956 1.513 ( 4.708 5.425 3.419) 7.955 1.558 ( 1.388 1.878 -0.415) 2.372 1.614 ( 5.170 7.596 -0.460) 9.200 1.746 ( -1.834 5.198 -2.115) 5.904 1.774 ( 1.390 4.578 -3.019) 5.657 1.875 ( 4.361 4.947 2.113) 6.925 1.903 ( 5.477 5.918 0.863) 8.110 2.196 ( -1.080 1.806 -0.399) 2.142 2.248 ( -0.991 4.503 -2.123) 5.076 2.280 ( -0.947 3.872 1.768) 4.360 2.321 ( -1.467 0.246 -0.110) 1.491 2.360 ( -1.138 -0.815 1.243) 1.872 2.379 ( 1.378 7.735 0.140) 7.858 2.429 ( 0.508 7.406 -1.231) 7.525 2.434 ( 0.317 0.017 -0.822) 0.881 2.520 ( 1.676 4.366 1.105) 4.805 2.537 ( 2.408 5.128 -0.114) 5.667 2.566 ( 1.978 5.623 0.598) 5.991 2.605 ( 2.784 1.115 -1.006) 3.163 2.628 ( -0.330 6.239 -0.160) 6.249 2.639 ( -0.409 5.575 -0.309) 5.599 2.719 ( -0.101 0.581 0.753) 0.957 2.735 ( -0.047 8.018 0.036) 8.019 3.314 ( -14.131 -1.935 0.422) 14.269 3.333 ( -13.647 -3.534 -0.383) 14.102 3.893 ( 2.459 1.537 1.244) 3.156 3.952 ( 0.885 2.621 -1.397) 3.099 4.003 ( -1.826 3.369 3.399) 5.123 4.093 ( -2.111 2.957 0.469) 3.663 4.129 ( -0.952 0.905 -0.383) 1.368 4.142 ( -2.675 0.794 -0.154) 2.795 4.183 ( -1.301 1.778 -1.135) 2.478 4.207 ( -1.043 4.807 -2.236) 5.403 4.312 ( 1.476 -1.571 -0.473) 2.207 4.325 ( 1.121 -1.411 -0.932) 2.029 4.356 ( 0.908 -1.423 0.199) 1.700 4.379 ( 1.071 3.260 -0.924) 3.553 4.405 ( 1.781 -0.660 1.306) 2.305 4.443 ( 0.605 -0.368 0.214) 0.739 4.465 ( 0.899 -0.430 4.111) 4.230 4.679 ( -3.012 -0.086 -4.968) 5.811 4.736 ( -0.116 0.852 -0.020) 0.860 4.758 ( 0.246 2.571 -0.408) 2.614 4.807 ( -0.192 0.316 1.318) 1.369 4.856 ( 0.373 2.650 -0.307) 2.694 4.867 ( -2.589 0.508 0.486) 2.683 4.877 ( -2.774 1.373 0.358) 3.116 4.925 ( -1.531 2.587 -0.427) 3.037 4.955 ( -1.890 3.531 -0.459) 4.031 5.098 ( 4.668 -1.314 0.279) 4.857 5.135 ( 1.476 -0.538 -1.405) 2.108 5.214 ( 2.054 -1.235 1.325) 2.739 5.260 ( 4.352 -3.475 -0.861) 5.635 5.314 ( 1.236 -1.008 1.496) 2.187 5.370 ( 1.586 -0.730 -1.705) 2.440 5.424 ( 1.986 -2.256 0.415) 3.034 5.439 ( 2.654 -2.200 -0.155) 3.451 5.564 ( 0.366 -0.708 0.530) 0.957 5.580 ( 0.174 -1.504 0.123) 1.519 5.720 ( -0.855 -4.063 0.343) 4.166 5.725 ( -0.883 -1.169 0.250) 1.486 ======================= Grid point 82 (33/63) ======================= q-point: ( 0.40 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -0.014 8.326 0.500) 8.341 0.929 ( -1.726 7.411 -0.545) 7.629 0.983 ( 0.999 4.850 -0.275) 4.960 1.003 ( -0.864 4.754 0.069) 4.832 1.130 ( 1.783 5.549 -0.592) 5.859 1.138 ( 1.110 5.037 -2.048) 5.549 1.241 ( 0.658 2.782 0.398) 2.887 1.247 ( 0.051 1.952 -0.055) 1.953 1.327 ( 1.276 5.375 2.467) 6.050 1.365 ( -1.994 4.221 3.562) 5.872 1.482 ( 2.819 4.262 -3.178) 6.017 1.528 ( -1.439 3.662 -2.095) 4.458 1.636 ( 2.860 2.743 3.316) 5.167 1.681 ( -2.023 4.250 0.957) 4.803 1.720 ( 3.139 5.858 -1.685) 6.857 1.770 ( -1.562 4.919 -2.565) 5.764 2.079 ( 12.131 6.037 1.179) 13.602 2.111 ( 12.021 5.095 -0.175) 13.057 2.192 ( -0.200 5.018 -0.930) 5.107 2.226 ( 0.300 4.326 -1.434) 4.567 2.253 ( -1.438 1.943 1.416) 2.802 2.292 ( 0.043 -1.156 -0.886) 1.457 2.316 ( -3.821 0.832 0.138) 3.913 2.359 ( -4.006 2.394 -0.300) 4.676 2.460 ( 2.088 9.016 -0.253) 9.258 2.485 ( 2.481 7.316 -0.585) 7.747 2.525 ( 0.897 9.875 1.521) 10.032 2.566 ( -0.787 7.924 -0.585) 7.985 2.617 ( 0.962 3.963 0.423) 4.100 2.625 ( 0.269 4.352 -0.251) 4.367 2.659 ( 4.716 3.441 0.468) 5.857 2.681 ( 3.001 1.981 -0.751) 3.674 2.737 ( 4.445 -2.148 1.369) 5.123 2.752 ( 4.255 3.248 0.281) 5.360 2.980 ( -18.365 -2.316 0.853) 18.530 3.006 ( -18.385 -3.177 -0.167) 18.658 3.952 ( 3.000 1.651 0.630) 3.482 3.968 ( 0.470 2.267 0.049) 2.316 3.981 ( 0.099 3.715 2.145) 4.291 4.034 ( -3.650 2.372 0.381) 4.370 4.105 ( -0.827 -0.161 -0.110) 0.849 4.109 ( -0.966 -0.094 -0.255) 1.004 4.168 ( 0.011 2.354 -1.589) 2.840 4.182 ( -1.255 3.081 -2.002) 3.883 4.343 ( 0.885 -2.156 -0.031) 2.331 4.347 ( 1.112 -0.951 -0.347) 1.504 4.363 ( 0.543 -0.562 0.493) 0.924 4.386 ( -0.821 1.127 -0.476) 1.473 4.433 ( 1.304 2.528 1.337) 3.144 4.451 ( -0.328 2.827 1.720) 3.326 4.514 ( 4.241 -0.164 -1.163) 4.401 4.603 ( -4.605 0.108 -3.845) 6.000 4.748 ( 1.218 0.167 0.742) 1.436 4.767 ( 0.621 1.394 -0.006) 1.527 4.788 ( -1.588 -0.278 1.653) 2.309 4.807 ( -2.420 1.379 0.404) 2.815 4.846 ( -0.275 2.430 0.509) 2.498 4.855 ( -0.823 2.593 1.191) 2.969 4.919 ( 0.805 3.472 -1.390) 3.826 4.936 ( -0.801 4.079 -1.034) 4.283 5.136 ( 0.326 -0.299 0.191) 0.482 5.140 ( -0.157 0.104 0.182) 0.262 5.277 ( 2.345 -2.530 0.663) 3.512 5.295 ( -0.103 -2.081 -0.028) 2.084 5.376 ( 4.408 -1.916 0.566) 4.839 5.423 ( 2.290 -1.604 -1.350) 3.105 5.446 ( 0.582 -3.475 -0.080) 3.525 5.474 ( 0.149 -2.788 -1.197) 3.038 5.572 ( 0.452 -1.499 0.735) 1.730 5.580 ( -0.258 -1.967 0.607) 2.075 5.705 ( -0.375 -2.273 0.056) 2.304 5.709 ( -0.645 -1.162 -0.042) 1.330 ======================= Grid point 85 (34/63) ======================= q-point: ( 0.00 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 0.000 -1.398 -0.079) 1.401 0.983 ( 0.000 0.594 -0.614) 0.855 1.022 ( 0.000 1.059 0.894) 1.386 1.060 ( 0.000 1.406 -0.963) 1.704 1.221 ( 0.000 5.370 0.783) 5.427 1.267 ( 0.000 3.025 0.687) 3.102 1.277 ( 0.000 3.116 -1.088) 3.301 1.309 ( 0.000 4.422 0.002) 4.422 1.362 ( 0.000 6.837 0.582) 6.862 1.372 ( 0.000 4.787 3.090) 5.698 1.410 ( 0.000 2.914 3.971) 4.925 1.556 ( 0.000 5.835 -1.196) 5.957 1.625 ( 0.000 4.269 1.441) 4.506 1.679 ( 0.000 3.253 -2.123) 3.884 1.818 ( 0.000 0.460 -1.134) 1.224 1.857 ( 0.000 5.452 -2.863) 6.158 1.916 ( 0.000 3.284 -0.036) 3.284 1.940 ( 0.000 2.150 -2.399) 3.222 2.125 ( 0.000 -6.456 0.356) 6.466 2.162 ( 0.000 -9.285 -1.239) 9.368 2.294 ( 0.000 -2.099 2.217) 3.053 2.328 ( 0.000 -0.616 0.257) 0.668 2.361 ( 0.000 -2.281 1.761) 2.882 2.406 ( 0.000 -1.212 -0.748) 1.424 2.479 ( 0.000 -1.018 0.040) 1.019 2.484 ( 0.000 -0.636 -0.337) 0.720 2.628 ( 0.000 11.596 2.028) 11.772 2.662 ( 0.000 4.557 1.107) 4.690 2.688 ( 0.000 12.629 0.625) 12.645 2.707 ( 0.000 7.432 -0.419) 7.444 2.763 ( 0.000 8.750 -1.248) 8.839 2.767 ( 0.000 5.701 -0.898) 5.771 2.895 ( 0.000 13.608 1.311) 13.671 2.944 ( 0.000 12.264 -0.899) 12.297 3.403 ( 0.000 -2.796 0.372) 2.820 3.423 ( 0.000 -1.771 -0.468) 1.832 3.928 ( 0.000 4.071 1.279) 4.267 4.002 ( 0.000 2.628 -2.385) 3.549 4.051 ( 0.000 -1.794 2.141) 2.793 4.092 ( 0.000 -4.507 0.890) 4.594 4.183 ( 0.000 0.498 -0.284) 0.573 4.187 ( 0.000 -0.479 -0.314) 0.572 4.207 ( 0.000 -0.780 -0.006) 0.780 4.211 ( 0.000 -0.838 -0.163) 0.854 4.232 ( 0.000 -1.572 0.272) 1.595 4.306 ( 0.000 -0.608 1.002) 1.172 4.308 ( 0.000 3.442 -2.800) 4.437 4.366 ( 0.000 -1.186 -1.797) 2.153 4.422 ( 0.000 3.539 1.123) 3.713 4.478 ( 0.000 3.434 -1.317) 3.677 4.494 ( 0.000 2.236 2.945) 3.698 4.682 ( 0.000 -2.832 -3.759) 4.706 4.753 ( 0.000 1.837 1.436) 2.332 4.804 ( 0.000 2.085 -0.792) 2.230 4.860 ( 0.000 2.761 -0.948) 2.919 4.888 ( 0.000 1.347 0.856) 1.596 4.903 ( 0.000 -0.363 -0.339) 0.497 4.920 ( 0.000 -0.330 -2.575) 2.596 4.985 ( 0.000 1.274 1.987) 2.360 5.022 ( 0.000 2.093 0.721) 2.213 5.050 ( 0.000 -0.072 -0.839) 0.842 5.059 ( 0.000 1.116 -1.441) 1.823 5.180 ( 0.000 -1.402 1.454) 2.020 5.215 ( 0.000 0.448 -0.728) 0.855 5.271 ( 0.000 -2.040 2.794) 3.460 5.330 ( 0.000 -2.275 -0.200) 2.284 5.362 ( 0.000 -1.436 0.460) 1.508 5.372 ( 0.000 -1.375 0.186) 1.388 5.568 ( 0.000 1.069 0.244) 1.096 5.572 ( 0.000 0.413 0.023) 0.414 5.664 ( 0.000 -2.147 0.762) 2.278 5.714 ( 0.000 -1.037 -1.205) 1.590 ======================= Grid point 86 (35/63) ======================= q-point: ( 0.20 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 0.496 -0.890 0.092) 1.023 0.991 ( 0.529 0.456 -0.600) 0.920 1.030 ( 0.473 0.711 0.841) 1.199 1.063 ( -0.099 0.811 -0.524) 0.971 1.225 ( 0.357 4.367 0.235) 4.388 1.254 ( -0.967 3.187 0.044) 3.331 1.281 ( 0.013 2.208 -0.135) 2.212 1.296 ( -0.778 3.148 -0.230) 3.251 1.387 ( 1.543 4.231 4.471) 6.346 1.441 ( 3.287 4.632 3.502) 6.672 1.504 ( 7.065 7.612 -2.145) 10.605 1.596 ( 4.880 4.687 -0.326) 6.774 1.623 ( 0.336 4.488 1.385) 4.709 1.732 ( 5.210 3.988 -2.589) 7.053 1.795 ( -2.316 1.012 -1.249) 2.819 1.866 ( 0.554 4.584 -3.429) 5.751 1.948 ( 4.901 2.977 1.182) 5.855 1.983 ( 6.571 2.526 -0.769) 7.082 2.142 ( 1.486 -5.407 -0.142) 5.609 2.175 ( 1.547 -7.479 -1.366) 7.759 2.277 ( -1.672 -2.503 1.430) 3.333 2.309 ( -3.557 -2.421 0.196) 4.307 2.338 ( -0.159 -0.777 1.428) 1.633 2.415 ( -0.448 -1.704 -2.097) 2.739 2.482 ( 2.150 -0.514 1.452) 2.645 2.507 ( 2.332 -1.485 0.129) 2.767 2.652 ( 1.478 8.586 1.943) 8.926 2.675 ( 1.442 8.025 1.042) 8.220 2.688 ( 0.022 8.840 0.712) 8.869 2.712 ( 0.548 8.824 -0.187) 8.843 2.766 ( 0.059 5.781 -0.674) 5.821 2.781 ( 1.699 10.033 -1.376) 10.269 2.876 ( -1.800 12.740 1.516) 12.955 2.935 ( -0.987 12.172 -1.150) 12.266 3.265 ( -13.727 -2.408 0.361) 13.941 3.288 ( -13.270 -1.589 -0.606) 13.378 3.943 ( 1.449 3.356 1.128) 3.825 4.006 ( 0.286 1.812 -2.094) 2.784 4.040 ( -0.664 -0.616 2.323) 2.494 4.080 ( -1.007 -3.347 0.921) 3.615 4.125 ( -2.684 -0.776 -0.070) 2.795 4.146 ( -3.779 0.128 1.195) 3.966 4.193 ( -0.634 0.734 -2.055) 2.272 4.224 ( -1.189 -0.524 -0.962) 1.617 4.272 ( 3.655 -0.986 -0.143) 3.789 4.319 ( 1.436 2.052 -1.955) 3.177 4.334 ( 1.375 -0.093 0.952) 1.675 4.381 ( 0.974 -0.707 -0.927) 1.519 4.443 ( 1.827 2.745 0.994) 3.444 4.487 ( 0.952 2.589 -0.684) 2.842 4.505 ( 1.080 2.566 1.516) 3.170 4.655 ( -2.547 -2.233 -3.963) 5.213 4.749 ( -0.306 1.289 1.690) 2.147 4.798 ( -0.630 1.781 -0.636) 1.993 4.834 ( -2.076 1.127 0.335) 2.386 4.867 ( -2.215 0.237 0.186) 2.235 4.891 ( -0.350 1.179 0.442) 1.307 4.917 ( -0.028 1.935 -0.802) 2.095 4.977 ( -0.753 2.575 -0.122) 2.686 5.022 ( -0.433 2.603 -0.715) 2.734 5.082 ( 4.866 -0.136 1.133) 4.998 5.133 ( 2.262 -0.115 -1.204) 2.565 5.195 ( 3.155 -2.199 0.192) 3.850 5.212 ( 0.135 -0.288 -0.428) 0.533 5.281 ( 1.028 -2.185 2.853) 3.738 5.338 ( 0.949 -2.502 -0.169) 2.681 5.395 ( 2.293 -0.836 0.196) 2.448 5.402 ( 2.588 -1.482 -0.032) 2.982 5.567 ( -0.086 0.877 0.271) 0.922 5.572 ( -0.076 0.461 0.152) 0.492 5.665 ( 0.238 -1.780 0.485) 1.860 5.706 ( -0.698 -0.934 -1.104) 1.606 ======================= Grid point 87 (36/63) ======================= q-point: ( 0.40 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 0.753 0.281 0.335) 0.871 0.996 ( -0.057 0.965 -0.051) 0.968 1.038 ( 0.507 0.510 0.342) 0.797 1.052 ( -0.886 0.411 -0.163) 0.990 1.229 ( 0.069 2.928 0.107) 2.931 1.236 ( -0.769 3.159 0.184) 3.256 1.278 ( 0.088 0.658 0.172) 0.686 1.286 ( -0.505 1.201 -0.365) 1.353 1.423 ( 2.315 6.035 3.457) 7.330 1.461 ( -1.026 5.621 2.538) 6.253 1.576 ( 2.189 5.524 -3.319) 6.806 1.607 ( -1.045 4.395 -2.688) 5.257 1.700 ( 2.807 3.942 3.210) 5.807 1.741 ( -2.316 2.703 2.016) 4.091 1.822 ( 2.952 4.473 -2.578) 5.947 1.860 ( -1.177 4.051 -2.990) 5.170 2.125 ( 9.125 -1.234 0.474) 9.220 2.158 ( 4.536 -2.292 -1.039) 5.187 2.224 ( 3.252 -1.395 -0.424) 3.564 2.226 ( 2.025 -0.541 -0.600) 2.180 2.234 ( 0.415 -2.022 0.279) 2.083 2.237 ( 2.951 -3.427 -0.020) 4.522 2.323 ( -2.129 0.612 1.213) 2.526 2.376 ( -3.745 0.156 -1.129) 3.915 2.588 ( 9.548 -1.605 0.638) 9.703 2.612 ( 10.103 -2.323 0.021) 10.367 2.670 ( 0.678 6.675 1.353) 6.844 2.678 ( -0.176 6.698 0.968) 6.770 2.712 ( 0.830 8.308 0.609) 8.372 2.728 ( 1.250 8.661 -0.021) 8.751 2.775 ( 1.182 8.265 0.537) 8.366 2.804 ( -0.965 9.833 -0.320) 9.886 2.840 ( -1.752 9.849 1.272) 10.084 2.904 ( -3.305 9.577 -1.532) 10.247 2.931 ( -17.903 -0.532 0.635) 17.922 2.978 ( -15.473 1.288 -1.221) 15.574 3.977 ( 1.911 1.316 0.482) 2.370 4.005 ( -0.698 0.160 -0.964) 1.200 4.041 ( 0.964 0.426 1.906) 2.178 4.066 ( -0.221 -1.878 0.279) 1.911 4.081 ( -2.698 1.883 1.932) 3.816 4.084 ( -1.623 0.202 0.186) 1.646 4.188 ( 0.242 0.924 -2.420) 2.602 4.201 ( -1.004 0.688 -1.994) 2.336 4.321 ( 1.369 -0.152 0.144) 1.385 4.338 ( -0.407 0.449 0.416) 0.735 4.359 ( 2.151 0.069 -0.409) 2.190 4.388 ( -0.542 -0.086 -0.546) 0.774 4.482 ( 1.967 1.902 0.449) 2.773 4.502 ( 0.061 1.834 0.144) 1.841 4.538 ( 2.452 1.678 -1.058) 3.154 4.596 ( -3.368 -0.847 -3.225) 4.739 4.750 ( 0.629 0.569 2.025) 2.196 4.774 ( -1.750 0.468 1.347) 2.258 4.810 ( 0.042 1.341 0.156) 1.351 4.829 ( -1.677 0.929 -0.003) 1.918 4.889 ( 0.399 1.997 0.911) 2.231 4.905 ( -1.097 2.351 1.412) 2.954 4.984 ( 1.332 2.770 -2.155) 3.753 5.010 ( -1.064 3.007 -1.823) 3.674 5.139 ( 0.896 0.473 0.637) 1.197 5.148 ( 0.076 0.358 0.493) 0.614 5.228 ( 1.527 -2.217 0.383) 2.719 5.242 ( 0.237 -3.055 0.099) 3.065 5.343 ( 4.778 -1.486 0.999) 5.102 5.381 ( 3.394 -2.411 -0.542) 4.198 5.410 ( -1.264 -0.932 0.450) 1.634 5.430 ( -0.526 -1.863 -0.409) 1.979 5.566 ( -0.000 0.659 0.378) 0.760 5.569 ( -0.219 0.520 0.367) 0.674 5.675 ( 0.723 -1.114 -0.180) 1.340 5.691 ( -0.885 -0.850 -0.780) 1.454 ======================= Grid point 90 (37/63) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 0.000 -1.394 -0.158) 1.403 0.955 ( 0.000 -2.531 -0.924) 2.695 1.013 ( 0.000 -1.750 1.047) 2.039 1.047 ( 0.000 -2.486 0.107) 2.489 1.216 ( 0.000 -3.211 1.360) 3.488 1.268 ( 0.000 -1.433 1.805) 2.305 1.279 ( 0.000 -2.152 -0.167) 2.158 1.297 ( 0.000 -4.252 -0.748) 4.318 1.481 ( 0.000 5.473 1.151) 5.593 1.515 ( 0.000 7.579 1.278) 7.686 1.532 ( 0.000 6.611 -0.062) 6.611 1.680 ( 0.000 0.930 -4.292) 4.391 1.713 ( 0.000 8.147 -0.381) 8.156 1.717 ( 0.000 2.124 -1.520) 2.612 1.828 ( 0.000 1.619 2.232) 2.757 1.938 ( 0.000 2.406 -2.645) 3.576 1.967 ( 0.000 1.928 -0.327) 1.956 1.975 ( 0.000 1.329 -1.729) 2.181 2.011 ( 0.000 -4.860 0.190) 4.864 2.019 ( 0.000 -3.594 0.108) 3.596 2.226 ( 0.000 -5.049 4.405) 6.701 2.273 ( 0.000 -5.469 2.401) 5.973 2.330 ( 0.000 -0.119 1.099) 1.106 2.378 ( 0.000 -1.297 -1.285) 1.826 2.439 ( 0.000 -1.815 1.535) 2.377 2.460 ( 0.000 -1.443 0.140) 1.450 2.747 ( 0.000 4.312 0.507) 4.342 2.829 ( 0.000 5.753 -1.688) 5.995 2.835 ( 0.000 5.525 1.107) 5.634 2.864 ( 0.000 6.971 0.764) 7.013 2.873 ( 0.000 6.439 -0.508) 6.459 2.940 ( 0.000 8.368 -1.695) 8.538 3.114 ( 0.000 8.186 -0.203) 8.188 3.157 ( 0.000 7.919 -2.500) 8.304 3.369 ( 0.000 -0.622 1.435) 1.564 3.399 ( 0.000 -0.494 0.514) 0.713 3.956 ( 0.000 -4.564 0.316) 4.574 3.967 ( 0.000 -3.871 -0.153) 3.874 4.019 ( 0.000 3.636 1.477) 3.924 4.082 ( 0.000 2.138 -1.200) 2.452 4.196 ( 0.000 2.542 0.054) 2.543 4.203 ( 0.000 1.552 -0.018) 1.552 4.218 ( 0.000 1.640 -0.363) 1.680 4.222 ( 0.000 1.828 -0.247) 1.845 4.261 ( 0.000 2.037 1.744) 2.682 4.319 ( 0.000 1.809 0.782) 1.971 4.338 ( 0.000 0.272 -2.352) 2.368 4.381 ( 0.000 2.276 -1.510) 2.731 4.474 ( 0.000 1.876 0.865) 2.066 4.521 ( 0.000 0.458 1.246) 1.327 4.521 ( 0.000 1.046 -1.129) 1.539 4.615 ( 0.000 -4.128 -1.999) 4.587 4.797 ( 0.000 2.387 0.583) 2.457 4.836 ( 0.000 1.242 -1.041) 1.620 4.882 ( 0.000 0.034 -2.300) 2.301 4.899 ( 0.000 0.168 -0.291) 0.336 4.916 ( 0.000 1.751 0.637) 1.863 4.929 ( 0.000 1.009 -1.119) 1.507 4.997 ( 0.000 0.091 0.891) 0.896 5.035 ( 0.000 -0.833 -0.942) 1.257 5.057 ( 0.000 0.220 2.754) 2.763 5.077 ( 0.000 0.893 0.680) 1.122 5.159 ( 0.000 -0.713 0.784) 1.060 5.195 ( 0.000 -2.330 1.382) 2.709 5.244 ( 0.000 -0.954 -0.487) 1.071 5.273 ( 0.000 -3.159 -0.111) 3.161 5.345 ( 0.000 -0.469 0.490) 0.679 5.357 ( 0.000 -0.563 -0.155) 0.584 5.586 ( 0.000 0.913 0.263) 0.950 5.594 ( 0.000 1.435 0.101) 1.439 5.637 ( 0.000 -0.738 0.653) 0.986 5.692 ( 0.000 -1.310 -1.394) 1.913 ======================= Grid point 91 (38/63) ======================= q-point: ( 0.20 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 1.081 -1.259 -0.203) 1.672 0.964 ( 0.874 -2.384 -0.764) 2.652 1.016 ( 0.239 -1.796 0.899) 2.023 1.046 ( -0.354 -2.362 -0.015) 2.389 1.220 ( 0.470 -3.088 1.242) 3.361 1.255 ( -1.136 -1.408 1.019) 2.076 1.270 ( -0.973 -2.666 0.352) 2.860 1.287 ( -0.863 -3.452 -1.006) 3.698 1.527 ( 1.889 6.546 1.674) 7.015 1.556 ( 3.412 7.831 2.332) 8.854 1.640 ( 6.747 5.463 -1.339) 8.784 1.679 ( -0.031 1.439 -3.615) 3.891 1.722 ( 2.383 6.773 0.277) 7.185 1.780 ( 6.187 1.461 -2.135) 6.706 1.824 ( -0.139 2.420 1.747) 2.987 1.930 ( -0.435 1.511 -2.930) 3.325 1.977 ( 1.735 0.091 0.307) 1.764 2.011 ( 3.427 -0.263 -1.417) 3.718 2.048 ( 5.637 -1.249 1.017) 5.863 2.072 ( 5.865 -3.176 -0.965) 6.739 2.200 ( -2.432 -5.214 3.741) 6.863 2.235 ( -3.470 -4.917 1.974) 6.334 2.333 ( 0.433 0.258 0.744) 0.899 2.380 ( 0.206 -1.335 -1.591) 2.087 2.450 ( 1.158 -2.122 1.507) 2.849 2.463 ( 0.685 -2.232 0.346) 2.361 2.747 ( 0.279 4.261 1.318) 4.469 2.820 ( -1.239 5.389 1.164) 5.651 2.835 ( 0.149 3.278 -1.829) 3.757 2.869 ( -0.390 5.350 -0.690) 5.409 2.895 ( 3.144 9.918 1.757) 10.552 2.970 ( 2.015 8.364 -1.386) 8.714 3.085 ( -3.081 7.510 -0.632) 8.142 3.134 ( -3.282 5.844 -3.498) 7.560 3.244 ( -11.944 0.845 1.785) 12.106 3.281 ( -10.524 1.757 0.657) 10.690 3.960 ( 0.547 -3.771 0.386) 3.829 3.973 ( 0.592 -3.310 -0.183) 3.367 4.016 ( -0.279 2.881 1.223) 3.142 4.066 ( -1.610 0.979 -0.832) 2.060 4.165 ( -1.321 3.805 1.218) 4.207 4.183 ( -1.797 3.824 0.786) 4.298 4.227 ( 0.027 2.369 -1.437) 2.770 4.236 ( 0.939 1.484 -1.016) 2.030 4.284 ( 2.203 1.207 1.066) 2.729 4.334 ( 1.020 0.933 0.906) 1.653 4.349 ( 0.689 -0.042 -1.807) 1.935 4.387 ( 0.370 1.420 -1.284) 1.950 4.483 ( 0.830 1.421 0.768) 1.816 4.512 ( 0.029 0.172 -0.541) 0.569 4.539 ( 0.925 0.667 0.129) 1.148 4.600 ( -1.444 -3.477 -1.998) 4.262 4.784 ( -1.039 2.148 0.831) 2.527 4.826 ( -1.285 1.088 -0.867) 1.894 4.845 ( -1.968 0.442 -0.358) 2.049 4.873 ( -1.833 0.218 -0.548) 1.925 4.916 ( 0.008 1.473 0.842) 1.696 4.947 ( 0.741 1.272 -0.833) 1.692 5.013 ( -0.611 0.958 0.720) 1.345 5.041 ( 1.665 -0.282 -0.315) 1.718 5.093 ( 2.867 0.723 1.580) 3.352 5.124 ( 3.800 -0.818 -0.937) 3.999 5.158 ( 0.763 -1.125 0.880) 1.619 5.196 ( -0.036 -1.841 0.488) 1.905 5.247 ( 1.085 -1.255 0.661) 1.785 5.285 ( 1.489 -2.738 -0.285) 3.130 5.381 ( 2.643 -0.640 0.286) 2.734 5.385 ( 2.042 -0.493 0.068) 2.101 5.586 ( -0.026 1.029 0.342) 1.085 5.594 ( -0.100 1.470 0.282) 1.500 5.642 ( 0.510 -0.805 0.273) 0.991 5.686 ( -0.548 -1.233 -1.287) 1.864 ======================= Grid point 92 (39/63) ======================= q-point: ( 0.40 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 1.289 -1.084 0.029) 1.685 0.982 ( 0.738 -1.736 -0.182) 1.895 1.019 ( 0.106 -1.847 0.092) 1.853 1.031 ( -1.052 -2.151 -0.418) 2.431 1.230 ( 0.264 -2.765 0.668) 2.857 1.235 ( -0.658 -1.693 0.505) 1.885 1.253 ( -0.161 -2.700 0.360) 2.729 1.267 ( -1.123 -2.915 -0.294) 3.138 1.562 ( 1.661 7.121 1.598) 7.484 1.583 ( -0.235 7.057 1.857) 7.301 1.677 ( 0.108 4.720 -1.522) 4.961 1.679 ( -0.014 3.103 -2.518) 3.997 1.782 ( 1.825 3.993 1.903) 4.785 1.807 ( -0.990 3.492 1.966) 4.128 1.887 ( 2.870 1.876 -2.772) 4.409 1.918 ( -0.944 1.721 -2.922) 3.520 2.030 ( 3.621 -5.146 0.810) 6.344 2.075 ( 2.835 -5.236 -1.278) 6.090 2.115 ( -3.297 -5.784 1.769) 6.889 2.151 ( -3.365 -5.252 0.108) 6.239 2.262 ( 8.617 3.541 0.587) 9.335 2.288 ( 9.344 3.650 -0.603) 10.050 2.344 ( 1.105 1.487 1.034) 2.121 2.381 ( -0.549 0.364 -0.928) 1.138 2.519 ( 10.009 -4.413 0.950) 10.980 2.544 ( 10.802 -4.159 0.090) 11.575 2.760 ( 0.468 4.005 1.936) 4.473 2.787 ( -2.776 4.534 1.321) 5.478 2.837 ( -3.874 2.585 -0.783) 4.723 2.851 ( -4.662 2.952 -1.019) 5.611 2.866 ( -11.626 0.090 0.535) 11.639 2.874 ( -12.798 -0.309 0.724) 12.822 2.980 ( 2.844 10.097 0.335) 10.496 3.059 ( -4.472 10.389 2.023) 11.490 3.084 ( 1.628 8.311 -3.368) 9.114 3.143 ( -3.756 9.405 -1.436) 10.229 3.978 ( 1.154 -1.780 0.227) 2.133 3.988 ( 0.640 -1.162 -0.279) 1.356 4.008 ( -0.304 0.004 0.843) 0.897 4.028 ( -1.995 -0.959 0.001) 2.214 4.151 ( -0.181 4.747 1.709) 5.049 4.157 ( -0.817 4.995 1.373) 5.244 4.233 ( 0.688 3.416 -2.007) 4.021 4.244 ( -0.150 3.255 -1.615) 3.636 4.322 ( 1.259 -0.049 0.572) 1.384 4.339 ( -0.622 -0.052 1.024) 1.199 4.364 ( 1.537 -0.168 -1.232) 1.977 4.389 ( -0.536 0.130 -1.035) 1.173 4.503 ( 1.068 0.356 0.139) 1.134 4.516 ( -0.094 -0.317 -0.671) 0.748 4.554 ( 0.698 -0.288 -0.521) 0.917 4.571 ( -1.248 -1.601 -1.443) 2.490 4.771 ( 0.043 1.605 1.245) 2.031 4.789 ( -1.740 1.094 0.834) 2.218 4.831 ( 0.044 0.709 -0.502) 0.870 4.843 ( -1.211 0.448 -0.543) 1.401 4.923 ( 0.726 1.641 1.292) 2.211 4.942 ( -1.036 1.596 1.207) 2.253 5.019 ( 1.202 0.681 -1.305) 1.901 5.043 ( -0.971 0.288 -1.347) 1.685 5.146 ( 1.214 -0.214 0.906) 1.530 5.147 ( 0.386 0.064 0.601) 0.717 5.187 ( 0.674 -2.338 -0.206) 2.442 5.194 ( -0.129 -1.591 -0.327) 1.630 5.320 ( 5.364 -0.905 0.710) 5.486 5.342 ( 4.074 -1.682 -0.144) 4.410 5.395 ( -1.579 -0.630 0.405) 1.747 5.402 ( -1.067 -1.034 0.124) 1.491 5.586 ( 0.106 1.281 0.492) 1.376 5.590 ( -0.240 1.445 0.514) 1.552 5.656 ( 0.869 -0.919 -0.448) 1.342 5.673 ( -0.806 -1.078 -0.980) 1.665 ======================= Grid point 95 (40/63) ======================= q-point: ( 0.00 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 0.000 -0.535 -0.372) 0.652 0.926 ( 0.000 -0.232 -0.771) 0.805 0.969 ( 0.000 -1.858 1.081) 2.150 0.987 ( 0.000 -3.012 0.552) 3.063 1.166 ( 0.000 -0.949 -0.777) 1.227 1.198 ( 0.000 -4.178 -1.061) 4.310 1.241 ( 0.000 -1.100 0.720) 1.315 1.241 ( 0.000 -1.348 0.015) 1.348 1.566 ( 0.000 3.093 0.335) 3.111 1.591 ( 0.000 0.953 -0.638) 1.147 1.616 ( 0.000 2.163 -4.691) 5.166 1.657 ( 0.000 -2.168 -6.174) 6.544 1.805 ( 0.000 5.589 2.328) 6.054 1.842 ( 0.000 3.727 -0.192) 3.732 1.874 ( 0.000 2.860 3.117) 4.230 1.935 ( 0.000 -1.909 -0.827) 2.080 1.957 ( 0.000 -0.276 0.502) 0.573 1.972 ( 0.000 -1.106 0.173) 1.119 2.013 ( 0.000 1.489 0.017) 1.489 2.017 ( 0.000 1.630 0.577) 1.729 2.125 ( 0.000 -3.724 4.991) 6.228 2.155 ( 0.000 -5.720 4.024) 6.993 2.340 ( 0.000 0.890 0.383) 0.969 2.358 ( 0.000 -0.942 -0.543) 1.087 2.422 ( 0.000 -0.026 1.001) 1.002 2.434 ( 0.000 -1.105 0.387) 1.171 2.820 ( 0.000 3.096 -1.292) 3.355 2.858 ( 0.000 -0.640 -2.534) 2.613 2.917 ( 0.000 2.796 1.045) 2.985 2.936 ( 0.000 0.978 0.209) 1.000 3.014 ( 0.000 5.389 0.736) 5.439 3.047 ( 0.000 2.127 -0.663) 2.228 3.210 ( 0.000 2.457 -3.127) 3.976 3.229 ( 0.000 0.552 -4.355) 4.390 3.378 ( 0.000 1.152 2.463) 2.719 3.396 ( 0.000 -0.416 1.917) 1.962 3.900 ( 0.000 -1.213 0.674) 1.388 3.906 ( 0.000 -1.823 0.379) 1.862 4.086 ( 0.000 2.606 0.779) 2.720 4.109 ( 0.000 0.276 -0.171) 0.325 4.234 ( 0.000 1.283 -0.105) 1.288 4.239 ( 0.000 1.026 -0.281) 1.064 4.255 ( 0.000 1.237 -0.019) 1.237 4.259 ( 0.000 1.533 -0.302) 1.562 4.287 ( 0.000 1.206 0.998) 1.566 4.324 ( 0.000 -1.773 -0.694) 1.903 4.395 ( 0.000 5.945 1.146) 6.054 4.444 ( 0.000 3.578 -0.756) 3.658 4.498 ( 0.000 0.161 0.075) 0.177 4.514 ( 0.000 -0.656 0.318) 0.729 4.521 ( 0.000 -5.218 -0.473) 5.240 4.524 ( 0.000 -0.896 -0.409) 0.985 4.839 ( 0.000 1.779 -0.539) 1.859 4.853 ( 0.000 0.352 -1.004) 1.064 4.890 ( 0.000 0.614 -2.499) 2.573 4.899 ( 0.000 -0.246 -2.143) 2.157 4.945 ( 0.000 1.040 0.921) 1.389 4.948 ( 0.000 0.701 0.481) 0.850 4.997 ( 0.000 0.095 0.154) 0.181 5.011 ( 0.000 -1.270 -0.462) 1.352 5.055 ( 0.000 0.074 3.411) 3.412 5.074 ( 0.000 -1.340 2.044) 2.444 5.153 ( 0.000 -0.011 0.451) 0.451 5.159 ( 0.000 -0.931 1.246) 1.555 5.222 ( 0.000 -0.963 -1.584) 1.853 5.225 ( 0.000 -1.490 -0.928) 1.755 5.341 ( 0.000 0.086 0.334) 0.345 5.347 ( 0.000 -0.442 0.038) 0.443 5.603 ( 0.000 0.785 0.108) 0.792 5.613 ( 0.000 0.054 -0.404) 0.408 5.637 ( 0.000 0.975 0.554) 1.122 5.664 ( 0.000 -1.525 -0.673) 1.667 ======================= Grid point 96 (41/63) ======================= q-point: ( 0.20 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 0.889 -0.505 -0.236) 1.049 0.938 ( 1.123 -0.654 -0.787) 1.519 0.974 ( 0.458 -1.519 1.052) 1.904 0.992 ( 0.325 -2.596 0.446) 2.654 1.170 ( 0.376 -1.095 -0.480) 1.254 1.196 ( -0.178 -3.613 -0.670) 3.679 1.227 ( -1.294 -1.082 0.412) 1.737 1.231 ( -0.948 -1.622 -0.353) 1.911 1.616 ( 3.055 3.309 -1.431) 4.725 1.658 ( 2.459 -0.613 -2.870) 3.829 1.693 ( 5.983 2.861 -1.070) 6.717 1.711 ( 6.127 0.931 -2.877) 6.833 1.815 ( 1.571 2.892 1.295) 3.537 1.833 ( -0.667 4.025 0.108) 4.082 1.864 ( -0.787 1.388 2.515) 2.979 1.921 ( -0.567 -2.159 -1.187) 2.528 1.994 ( 1.128 1.634 0.598) 2.073 2.013 ( -0.005 1.058 -0.227) 1.082 2.034 ( 6.931 -1.490 -0.203) 7.092 2.044 ( 3.927 -1.003 0.258) 4.062 2.115 ( 1.775 -2.085 4.488) 5.257 2.140 ( 0.358 -4.070 3.374) 5.299 2.346 ( 0.744 1.007 0.223) 1.272 2.364 ( 0.576 -0.694 -0.677) 1.128 2.420 ( -0.315 -0.705 0.730) 1.063 2.427 ( -0.534 -1.360 0.294) 1.490 2.819 ( 0.160 3.030 -0.295) 3.048 2.856 ( 0.039 -0.604 -1.575) 1.687 2.901 ( -1.423 2.836 1.124) 3.366 2.924 ( -1.140 0.642 0.260) 1.334 3.048 ( 2.136 4.871 1.007) 5.414 3.072 ( -0.148 2.063 -0.131) 2.072 3.152 ( -7.254 1.289 -3.655) 8.225 3.171 ( -5.670 -0.163 -4.512) 7.248 3.295 ( -6.017 3.042 2.602) 7.227 3.322 ( -5.181 0.655 1.427) 5.414 3.916 ( 1.613 -0.875 0.641) 1.943 3.922 ( 1.634 -1.533 0.316) 2.263 4.069 ( -1.722 2.004 0.564) 2.702 4.084 ( -2.403 0.446 -0.067) 2.445 4.240 ( 0.509 3.174 0.507) 3.254 4.251 ( 0.524 1.785 -0.142) 1.866 4.264 ( 1.339 1.705 0.067) 2.169 4.267 ( 0.659 1.292 -0.422) 1.510 4.297 ( 1.073 0.128 0.786) 1.336 4.325 ( 0.074 -2.266 -0.514) 2.325 4.380 ( -1.224 4.045 0.967) 4.335 4.428 ( -1.815 1.559 -1.191) 2.673 4.494 ( -0.023 -1.120 -0.551) 1.248 4.506 ( 0.144 -0.408 -0.631) 0.766 4.522 ( 0.123 -1.361 0.366) 1.415 4.542 ( 0.668 -1.650 0.010) 1.780 4.825 ( -1.156 1.938 -0.408) 2.293 4.842 ( -1.048 0.370 -0.992) 1.490 4.855 ( -2.131 0.603 -1.041) 2.447 4.870 ( -1.956 -0.650 -1.415) 2.500 4.947 ( 0.333 1.650 1.018) 1.967 4.965 ( 1.008 0.306 -0.258) 1.085 5.013 ( -0.547 -0.353 1.061) 1.245 5.026 ( 0.839 -1.188 -0.230) 1.472 5.097 ( 3.508 0.060 1.792) 3.939 5.107 ( 3.933 -0.815 0.608) 4.062 5.152 ( 0.031 0.232 0.405) 0.468 5.164 ( 0.415 -1.109 0.962) 1.526 5.228 ( 1.547 -0.465 -0.895) 1.846 5.240 ( 1.921 -1.715 -0.861) 2.716 5.374 ( 2.349 -0.070 0.314) 2.371 5.377 ( 2.143 -0.325 0.196) 2.176 5.606 ( 0.234 0.955 0.128) 0.992 5.617 ( 0.339 0.294 -0.440) 0.628 5.635 ( -0.162 0.541 0.493) 0.750 5.659 ( -0.438 -1.482 -0.636) 1.671 ======================= Grid point 97 (42/63) ======================= q-point: ( 0.40 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 1.504 -0.495 0.127) 1.588 0.963 ( 1.110 -0.621 -0.286) 1.303 0.978 ( -0.124 -1.570 0.492) 1.650 0.990 ( -0.688 -1.876 0.121) 2.002 1.180 ( 0.695 -1.301 -0.051) 1.476 1.195 ( 0.254 -2.550 -0.339) 2.585 1.199 ( -1.294 -1.186 0.160) 1.763 1.210 ( -1.058 -2.137 -0.474) 2.431 1.677 ( 2.929 4.526 -0.537) 5.418 1.698 ( 1.395 3.273 -0.923) 3.675 1.737 ( 0.222 3.036 -0.211) 3.051 1.756 ( -0.821 2.226 -1.188) 2.654 1.828 ( 0.274 1.678 0.913) 1.930 1.839 ( -0.624 0.303 1.103) 1.302 1.871 ( 1.941 -2.486 0.095) 3.156 1.904 ( -1.379 -3.697 -0.825) 4.032 2.001 ( 0.365 1.220 0.166) 1.284 2.012 ( -0.295 0.129 -0.418) 0.528 2.039 ( -0.902 -2.327 1.043) 2.704 2.056 ( -1.942 -3.856 0.455) 4.341 2.340 ( 8.806 4.324 0.466) 9.822 2.360 ( 4.136 2.907 -0.420) 5.073 2.376 ( 5.759 1.948 0.265) 6.086 2.386 ( 3.085 0.536 -0.107) 3.133 2.431 ( 10.662 -4.629 0.845) 11.654 2.458 ( 10.847 -4.565 -0.137) 11.769 2.811 ( -11.641 1.017 0.139) 11.686 2.826 ( -16.020 -0.619 -0.384) 16.036 2.853 ( -7.923 1.089 0.473) 8.011 2.870 ( -0.358 1.131 0.634) 1.345 2.876 ( -3.741 0.952 0.564) 3.902 2.897 ( -1.611 0.157 0.232) 1.635 3.141 ( 3.758 5.703 -0.241) 6.834 3.184 ( 3.529 1.496 -1.960) 4.305 3.211 ( -3.552 5.111 0.700) 6.263 3.249 ( -3.206 1.488 -0.841) 3.633 3.960 ( 2.908 -0.094 0.514) 2.955 3.967 ( 2.853 -0.676 0.209) 2.939 4.022 ( -3.133 0.736 0.403) 3.243 4.027 ( -3.219 0.219 0.160) 3.230 4.247 ( 0.251 4.740 1.212) 4.899 4.252 ( -0.262 4.084 0.915) 4.193 4.286 ( 1.144 0.820 -0.502) 1.494 4.299 ( 1.086 2.178 -0.784) 2.557 4.311 ( 0.717 -1.356 0.759) 1.711 4.341 ( 1.767 -1.898 -0.447) 2.631 4.351 ( -1.730 1.364 0.151) 2.208 4.386 ( -2.342 -1.021 -1.192) 2.819 4.503 ( 0.674 -0.101 -0.489) 0.839 4.511 ( 0.070 0.656 -0.458) 0.803 4.527 ( 0.567 -1.629 -0.221) 1.739 4.542 ( -0.600 -1.635 -0.297) 1.767 4.808 ( -0.374 1.956 -0.199) 2.001 4.816 ( -1.161 1.506 -0.376) 1.938 4.834 ( -0.281 -0.513 -0.767) 0.965 4.841 ( -1.010 -0.785 -0.937) 1.586 4.958 ( 0.837 2.171 1.224) 2.629 4.974 ( -0.421 1.796 0.774) 2.000 5.006 ( 0.376 -1.722 0.399) 1.807 5.021 ( -0.813 -2.197 0.033) 2.343 5.143 ( 1.003 0.279 0.160) 1.053 5.152 ( 0.055 0.415 0.132) 0.439 5.156 ( 0.908 -0.952 -0.481) 1.401 5.167 ( -0.211 -1.133 -0.201) 1.170 5.309 ( 5.677 -0.188 0.359) 5.692 5.316 ( 5.222 -0.921 0.090) 5.304 5.387 ( -1.716 -0.194 0.366) 1.765 5.389 ( -1.561 -0.395 0.329) 1.644 5.612 ( 0.396 1.309 0.168) 1.377 5.619 ( -0.239 1.450 0.032) 1.470 5.637 ( 0.488 -1.041 -0.199) 1.167 5.649 ( -0.639 -1.380 -0.540) 1.614 ======================= Grid point 130 (43/63) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 0.000 0.000 -9.852) 9.852 0.516 ( 0.000 0.000 9.852) 9.852 0.662 ( 0.000 0.000 -10.402) 10.402 0.662 ( 0.000 0.000 10.402) 10.402 0.849 ( 0.000 0.000 -1.012) 1.012 0.849 ( 0.000 0.000 1.012) 1.012 0.979 ( 0.000 0.000 -5.886) 5.886 0.979 ( 0.000 0.000 5.886) 5.886 1.120 ( 0.000 0.000 -17.862) 17.862 1.120 ( 0.000 0.000 17.862) 17.862 1.186 ( 0.000 0.000 -4.590) 4.590 1.186 ( 0.000 0.000 4.590) 4.590 1.267 ( 0.000 0.000 -4.139) 4.139 1.267 ( 0.000 0.000 4.139) 4.139 1.483 ( 0.000 0.000 -5.305) 5.305 1.483 ( 0.000 0.000 5.305) 5.305 1.600 ( 0.000 0.000 -2.763) 2.763 1.600 ( 0.000 0.000 2.763) 2.763 1.996 ( 0.000 0.000 -8.735) 8.735 1.996 ( 0.000 0.000 8.735) 8.735 2.023 ( 0.000 0.000 -0.414) 0.414 2.023 ( 0.000 0.000 0.414) 0.414 2.043 ( 0.000 0.000 -0.377) 0.377 2.043 ( 0.000 0.000 0.377) 0.377 2.407 ( 0.000 0.000 -0.747) 0.747 2.407 ( 0.000 0.000 0.747) 0.747 2.443 ( 0.000 0.000 -0.180) 0.180 2.443 ( 0.000 0.000 0.180) 0.180 2.595 ( 0.000 0.000 -5.100) 5.100 2.595 ( 0.000 0.000 5.100) 5.100 2.716 ( 0.000 0.000 -1.520) 1.520 2.716 ( 0.000 0.000 1.520) 1.520 2.842 ( 0.000 0.000 -2.668) 2.668 2.842 ( 0.000 0.000 2.668) 2.668 3.605 ( 0.000 0.000 -3.441) 3.441 3.605 ( 0.000 0.000 3.441) 3.441 3.677 ( 0.000 0.000 -1.860) 1.860 3.677 ( 0.000 0.000 1.860) 1.860 3.788 ( 0.000 0.000 -0.633) 0.633 3.788 ( 0.000 0.000 0.633) 0.633 3.931 ( 0.000 0.000 -1.171) 1.171 3.931 ( 0.000 0.000 1.171) 1.171 4.002 ( 0.000 0.000 -1.728) 1.728 4.002 ( 0.000 0.000 1.728) 1.728 4.045 ( 0.000 0.000 -1.985) 1.985 4.045 ( 0.000 0.000 1.985) 1.985 4.223 ( 0.000 0.000 -1.459) 1.459 4.223 ( 0.000 0.000 1.459) 1.459 4.480 ( 0.000 0.000 -0.038) 0.038 4.480 ( 0.000 0.000 0.038) 0.038 4.560 ( 0.000 0.000 -2.466) 2.466 4.560 ( 0.000 0.000 2.466) 2.466 4.617 ( 0.000 0.000 -1.864) 1.864 4.617 ( 0.000 0.000 1.864) 1.864 4.835 ( 0.000 0.000 -1.016) 1.016 4.835 ( 0.000 0.000 1.016) 1.016 4.929 ( 0.000 0.000 -0.431) 0.431 4.929 ( 0.000 0.000 0.431) 0.431 5.006 ( 0.000 0.000 -2.073) 2.073 5.006 ( 0.000 0.000 2.073) 2.073 5.166 ( 0.000 0.000 -5.209) 5.209 5.166 ( 0.000 0.000 5.209) 5.209 5.252 ( 0.000 0.000 -0.245) 0.245 5.252 ( 0.000 0.000 0.245) 0.245 5.325 ( 0.000 0.000 -1.900) 1.900 5.325 ( 0.000 0.000 1.900) 1.900 5.475 ( 0.000 0.000 -0.589) 0.589 5.475 ( 0.000 0.000 0.589) 0.589 5.678 ( 0.000 0.000 -2.254) 2.254 5.678 ( 0.000 0.000 2.254) 2.254 6.033 ( 0.000 0.000 -0.766) 0.766 6.033 ( 0.000 0.000 0.766) 0.766 ======================= Grid point 132 (44/63) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 3.572 0.000 -11.146) 11.704 0.631 ( 3.572 0.000 11.146) 11.704 0.698 ( 3.266 0.000 -7.940) 8.585 0.698 ( 3.266 0.000 7.940) 8.585 0.846 ( -0.378 0.000 -1.299) 1.353 0.846 ( -0.378 0.000 1.299) 1.353 0.927 ( -5.986 0.000 -3.971) 7.183 0.927 ( -5.986 0.000 3.971) 7.183 1.149 ( 7.103 0.000 -7.238) 10.141 1.149 ( 7.103 0.000 7.238) 10.141 1.294 ( 2.862 0.000 -4.490) 5.324 1.294 ( 2.862 0.000 4.490) 5.324 1.354 ( 15.575 0.000 -9.146) 18.061 1.354 ( 15.575 0.000 9.146) 18.061 1.552 ( 5.571 0.000 -4.481) 7.149 1.552 ( 5.571 0.000 4.481) 7.149 1.569 ( -3.180 0.000 -3.168) 4.489 1.569 ( -3.180 0.000 3.168) 4.489 1.967 ( -1.406 0.000 -5.714) 5.884 1.967 ( -1.406 0.000 5.714) 5.884 2.022 ( -0.069 0.000 -0.310) 0.317 2.022 ( -0.069 0.000 0.310) 0.317 2.039 ( -0.374 0.000 -0.388) 0.539 2.039 ( -0.374 0.000 0.388) 0.539 2.356 ( -5.186 0.000 -2.150) 5.614 2.356 ( -5.186 0.000 2.150) 5.614 2.486 ( 3.613 0.000 -1.396) 3.873 2.486 ( 3.613 0.000 1.396) 3.873 2.542 ( -4.149 0.000 -3.238) 5.263 2.542 ( -4.149 0.000 3.238) 5.263 2.740 ( 2.822 0.000 -1.079) 3.021 2.740 ( 2.822 0.000 1.079) 3.021 2.800 ( -2.884 0.000 -1.022) 3.060 2.800 ( -2.884 0.000 1.022) 3.060 3.457 ( -14.349 0.000 -3.707) 14.820 3.457 ( -14.349 0.000 3.707) 14.820 3.675 ( -0.182 0.000 -1.492) 1.503 3.675 ( -0.182 0.000 1.492) 1.503 3.787 ( -0.046 0.000 -0.584) 0.586 3.787 ( -0.046 0.000 0.584) 0.586 3.938 ( 0.774 0.000 -1.107) 1.351 3.938 ( 0.774 0.000 1.107) 1.351 3.996 ( -0.606 0.000 -1.625) 1.734 3.996 ( -0.606 0.000 1.625) 1.734 4.167 ( 7.418 0.000 -2.348) 7.781 4.167 ( 7.418 0.000 2.348) 7.781 4.265 ( 5.126 0.000 -2.383) 5.653 4.265 ( 5.126 0.000 2.383) 5.653 4.468 ( -0.613 0.000 -0.334) 0.698 4.468 ( -0.613 0.000 0.334) 0.698 4.564 ( 0.438 0.000 -2.436) 2.475 4.564 ( 0.438 0.000 2.436) 2.475 4.611 ( -0.602 0.000 -1.950) 2.040 4.611 ( -0.602 0.000 1.950) 2.040 4.802 ( -4.824 0.000 -2.386) 5.382 4.802 ( -4.824 0.000 2.386) 5.382 4.860 ( -4.719 0.000 -1.087) 4.843 4.860 ( -4.719 0.000 1.087) 4.843 4.959 ( -0.243 0.000 -2.028) 2.042 4.959 ( -0.243 0.000 2.028) 2.042 5.210 ( -0.098 0.000 -3.253) 3.255 5.210 ( -0.098 0.000 3.253) 3.255 5.277 ( 1.273 0.000 -2.990) 3.249 5.277 ( 1.273 0.000 2.990) 3.249 5.396 ( 6.962 0.000 -2.364) 7.353 5.396 ( 6.962 0.000 2.364) 7.353 5.532 ( 5.223 0.000 -0.765) 5.279 5.532 ( 5.223 0.000 0.765) 5.279 5.701 ( 2.293 0.000 -2.763) 3.590 5.701 ( 2.293 0.000 2.763) 3.590 5.976 ( -5.233 0.000 -1.831) 5.544 5.976 ( -5.233 0.000 1.831) 5.544 ======================= Grid point 134 (45/63) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( -2.508 0.000 -6.925) 7.365 0.611 ( -2.508 0.000 6.925) 7.365 0.761 ( 2.537 0.000 -3.368) 4.217 0.761 ( 2.537 0.000 3.368) 4.217 0.832 ( -0.936 0.000 -1.374) 1.663 0.832 ( -0.936 0.000 1.374) 1.663 0.833 ( -2.683 0.000 -3.156) 4.143 0.833 ( -2.683 0.000 3.156) 4.143 1.285 ( 4.968 0.000 -2.029) 5.366 1.285 ( 4.968 0.000 2.029) 5.366 1.375 ( 5.300 0.000 -4.741) 7.111 1.375 ( 5.300 0.000 4.741) 7.111 1.483 ( -5.435 0.000 -4.076) 6.794 1.483 ( -5.435 0.000 4.076) 6.794 1.544 ( 0.956 0.000 -3.114) 3.257 1.544 ( 0.956 0.000 3.114) 3.257 1.736 ( 10.190 0.000 -2.019) 10.389 1.736 ( 10.190 0.000 2.019) 10.389 2.005 ( 4.955 0.000 -0.925) 5.041 2.005 ( 4.955 0.000 0.925) 5.041 2.021 ( -0.021 0.000 -0.145) 0.147 2.021 ( -0.021 0.000 0.145) 0.147 2.033 ( -0.235 0.000 -0.228) 0.327 2.033 ( -0.235 0.000 0.228) 0.327 2.280 ( -0.046 0.000 -2.110) 2.111 2.280 ( -0.046 0.000 2.110) 2.111 2.411 ( -7.644 0.000 -3.066) 8.236 2.411 ( -7.644 0.000 3.066) 8.236 2.583 ( 3.576 0.000 -0.730) 3.650 2.583 ( 3.576 0.000 0.730) 3.650 2.737 ( -2.486 0.000 -0.314) 2.506 2.737 ( -2.486 0.000 0.314) 2.506 2.853 ( 8.704 0.000 -2.508) 9.058 2.853 ( 8.704 0.000 2.508) 9.058 3.128 ( -17.317 0.000 -3.804) 17.730 3.128 ( -17.317 0.000 3.804) 17.730 3.672 ( -0.111 0.000 -0.563) 0.574 3.672 ( -0.111 0.000 0.563) 0.574 3.786 ( -0.029 0.000 -0.256) 0.257 3.786 ( -0.029 0.000 0.256) 0.257 3.958 ( 1.165 0.000 -1.118) 1.615 3.958 ( 1.165 0.000 1.118) 1.615 3.980 ( -1.061 0.000 -1.363) 1.728 3.980 ( -1.061 0.000 1.363) 1.728 4.247 ( 2.318 0.000 -1.488) 2.755 4.247 ( 2.318 0.000 1.488) 2.755 4.337 ( 0.022 0.000 -2.292) 2.292 4.337 ( 0.022 0.000 2.292) 2.292 4.520 ( 6.281 0.000 -1.322) 6.418 4.520 ( 6.281 0.000 1.322) 6.418 4.576 ( 0.650 0.000 -1.999) 2.102 4.576 ( 0.650 0.000 1.999) 2.102 4.597 ( -0.751 0.000 -1.815) 1.964 4.597 ( -0.751 0.000 1.815) 1.964 4.672 ( -6.836 0.000 -1.220) 6.944 4.672 ( -6.836 0.000 1.220) 6.944 4.820 ( -0.795 0.000 -0.101) 0.801 4.820 ( -0.795 0.000 0.101) 0.801 4.960 ( 0.118 0.000 -0.711) 0.721 4.960 ( 0.118 0.000 0.711) 0.721 5.200 ( -0.386 0.000 -0.969) 1.043 5.200 ( -0.386 0.000 0.969) 1.043 5.285 ( 0.033 0.000 -0.846) 0.847 5.285 ( 0.033 0.000 0.846) 0.847 5.501 ( 2.996 0.000 -0.988) 3.155 5.501 ( 2.996 0.000 0.988) 3.155 5.627 ( 3.204 0.000 -0.708) 3.281 5.627 ( 3.204 0.000 0.708) 3.281 5.763 ( 4.238 0.000 -2.875) 5.121 5.763 ( 4.238 0.000 2.875) 5.121 5.863 ( -5.961 0.000 -2.578) 6.495 5.863 ( -5.961 0.000 2.578) 6.495 ======================= Grid point 140 (46/63) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 0.000 7.438 -7.827) 10.798 0.595 ( 0.000 7.438 7.827) 10.798 0.626 ( 0.000 -3.469 -17.649) 17.987 0.626 ( 0.000 -3.469 17.649) 17.987 0.922 ( 0.000 10.462 -0.679) 10.484 0.922 ( 0.000 10.462 0.679) 10.484 1.035 ( 0.000 2.148 -0.573) 2.223 1.035 ( 0.000 2.148 0.573) 2.223 1.090 ( 0.000 -0.342 -0.377) 0.509 1.090 ( 0.000 -0.342 0.377) 0.509 1.304 ( 0.000 10.115 -6.839) 12.210 1.304 ( 0.000 10.115 6.839) 12.210 1.342 ( 0.000 -0.052 -4.259) 4.259 1.342 ( 0.000 -0.052 4.259) 4.259 1.484 ( 0.000 10.474 -2.949) 10.881 1.484 ( 0.000 10.474 2.949) 10.881 1.729 ( 0.000 3.882 -0.587) 3.926 1.729 ( 0.000 3.882 0.587) 3.926 1.902 ( 0.000 0.952 -3.983) 4.095 1.902 ( 0.000 0.952 3.983) 4.095 2.053 ( 0.000 2.914 -0.041) 2.915 2.053 ( 0.000 2.914 0.041) 2.915 2.198 ( 0.000 9.239 -1.921) 9.436 2.198 ( 0.000 9.239 1.921) 9.436 2.404 ( 0.000 -0.189 -1.361) 1.374 2.404 ( 0.000 -0.189 1.361) 1.374 2.447 ( 0.000 0.516 -0.326) 0.611 2.447 ( 0.000 0.516 0.326) 0.611 2.564 ( 0.000 -4.846 -0.634) 4.887 2.564 ( 0.000 -4.846 0.634) 4.887 2.628 ( 0.000 -4.619 -3.544) 5.822 2.628 ( 0.000 -4.619 3.544) 5.822 2.761 ( 0.000 -3.902 -2.153) 4.457 2.761 ( 0.000 -3.902 2.153) 4.457 3.575 ( 0.000 -2.144 -3.209) 3.859 3.575 ( 0.000 -2.144 3.209) 3.859 3.816 ( 0.000 7.455 -1.922) 7.699 3.816 ( 0.000 7.455 1.922) 7.699 3.894 ( 0.000 3.978 -0.729) 4.044 3.894 ( 0.000 3.978 0.729) 4.044 3.980 ( 0.000 3.765 -0.237) 3.772 3.980 ( 0.000 3.765 0.237) 3.772 4.046 ( 0.000 9.303 -4.154) 10.188 4.046 ( 0.000 9.303 4.154) 10.188 4.111 ( 0.000 6.087 -0.805) 6.140 4.111 ( 0.000 6.087 0.805) 6.140 4.224 ( 0.000 0.383 -1.315) 1.370 4.224 ( 0.000 0.383 1.315) 1.370 4.478 ( 0.000 -0.212 -0.082) 0.227 4.478 ( 0.000 -0.212 0.082) 0.227 4.596 ( 0.000 3.151 -2.000) 3.733 4.596 ( 0.000 3.151 2.000) 3.733 4.621 ( 0.000 0.674 -2.359) 2.453 4.621 ( 0.000 0.674 2.359) 2.453 4.841 ( 0.000 0.352 -0.359) 0.503 4.841 ( 0.000 0.352 0.359) 0.503 4.914 ( 0.000 -1.772 -0.558) 1.858 4.914 ( 0.000 -1.772 0.558) 1.858 5.004 ( 0.000 -0.288 -1.520) 1.547 5.004 ( 0.000 -0.288 1.520) 1.547 5.134 ( 0.000 -3.241 -5.663) 6.525 5.134 ( 0.000 -3.241 5.663) 6.525 5.251 ( 0.000 0.218 -1.055) 1.077 5.251 ( 0.000 0.218 1.055) 1.077 5.311 ( 0.000 -1.141 -1.668) 2.021 5.311 ( 0.000 -1.141 1.668) 2.021 5.466 ( 0.000 -0.960 -0.472) 1.070 5.466 ( 0.000 -0.960 0.472) 1.070 5.658 ( 0.000 -1.980 -2.063) 2.859 5.658 ( 0.000 -1.980 2.063) 2.859 5.961 ( 0.000 -6.430 -2.245) 6.811 5.961 ( 0.000 -6.430 2.245) 6.811 ======================= Grid point 142 (47/63) ======================= q-point: ( 0.20 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -0.092 -1.320 -10.495) 10.578 0.622 ( -0.092 -1.320 10.495) 10.578 0.720 ( 4.782 3.973 -4.815) 7.863 0.720 ( 4.782 3.973 4.815) 7.863 0.917 ( -0.151 9.769 -1.608) 9.901 0.917 ( -0.151 9.769 1.608) 9.901 1.029 ( 0.828 2.016 -1.464) 2.626 1.029 ( 0.828 2.016 1.464) 2.626 1.145 ( 3.503 5.518 -1.566) 6.721 1.145 ( 3.503 5.518 1.566) 6.721 1.350 ( 3.992 2.477 -2.191) 5.184 1.350 ( 3.992 2.477 2.191) 5.184 1.424 ( 8.002 -0.770 -2.849) 8.529 1.424 ( 8.002 -0.770 2.849) 8.529 1.516 ( 5.807 11.992 -9.306) 16.252 1.516 ( 5.807 11.992 9.306) 16.252 1.709 ( -2.326 2.864 -1.093) 3.848 1.709 ( -2.326 2.864 1.093) 3.848 1.895 ( 0.179 1.747 -2.675) 3.200 1.895 ( 0.179 1.747 2.675) 3.200 2.055 ( 0.621 3.273 -0.820) 3.431 2.055 ( 0.621 3.273 0.820) 3.431 2.186 ( -0.895 9.272 -1.503) 9.435 2.186 ( -0.895 9.272 1.503) 9.435 2.364 ( -4.085 0.949 -2.099) 4.690 2.364 ( -4.085 0.949 2.099) 4.690 2.480 ( 0.971 -1.464 -2.774) 3.283 2.480 ( 0.971 -1.464 2.774) 3.283 2.511 ( -1.046 -1.628 -1.463) 2.426 2.511 ( -1.046 -1.628 1.463) 2.426 2.693 ( 4.299 -4.379 -2.923) 6.797 2.693 ( 4.299 -4.379 2.923) 6.797 2.749 ( -0.948 -2.704 -1.819) 3.394 2.749 ( -0.948 -2.704 1.819) 3.394 3.427 ( -14.249 -2.208 -3.229) 14.776 3.427 ( -14.249 -2.208 3.229) 14.776 3.795 ( -1.750 8.067 -1.213) 8.344 3.795 ( -1.750 8.067 1.213) 8.344 3.875 ( -0.997 6.108 -0.585) 6.216 3.875 ( -0.997 6.108 0.585) 6.216 3.986 ( 0.382 3.344 -0.165) 3.370 3.986 ( 0.382 3.344 0.165) 3.370 4.014 ( -1.155 4.196 -1.236) 4.524 4.014 ( -1.155 4.196 1.236) 4.524 4.201 ( 4.375 2.887 -2.590) 5.846 4.201 ( 4.375 2.887 2.590) 5.846 4.278 ( 5.572 1.810 -2.894) 6.535 4.278 ( 5.572 1.810 2.894) 6.535 4.466 ( -0.706 -0.145 -0.341) 0.798 4.466 ( -0.706 -0.145 0.341) 0.798 4.602 ( 0.423 2.534 -1.904) 3.197 4.602 ( 0.423 2.534 1.904) 3.197 4.612 ( -0.722 1.020 -2.370) 2.679 4.612 ( -0.722 1.020 2.370) 2.679 4.811 ( -3.787 0.686 -1.930) 4.305 4.811 ( -3.787 0.686 1.930) 4.305 4.862 ( -4.941 0.280 -0.995) 5.048 4.862 ( -4.941 0.280 0.995) 5.048 4.940 ( -0.335 -1.929 -1.758) 2.632 4.940 ( -0.335 -1.929 1.758) 2.632 5.190 ( 0.404 -1.990 -2.815) 3.471 5.190 ( 0.404 -1.990 2.815) 3.471 5.280 ( 1.362 0.516 -2.126) 2.578 5.280 ( 1.362 0.516 2.126) 2.578 5.371 ( 6.795 -2.340 -1.936) 7.443 5.371 ( 6.795 -2.340 1.936) 7.443 5.515 ( 4.456 -1.696 -0.531) 4.797 5.515 ( 4.456 -1.696 0.531) 4.797 5.678 ( 2.031 -2.257 -2.500) 3.933 5.678 ( 2.031 -2.257 2.500) 3.933 5.915 ( -4.244 -5.477 -2.601) 7.400 5.915 ( -4.244 -5.477 2.601) 7.400 ======================= Grid point 144 (48/63) ======================= q-point: ( 0.40 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( -2.033 1.011 -2.933) 3.709 0.590 ( -2.033 1.011 2.933) 3.709 0.757 ( 0.454 2.523 -0.880) 2.711 0.757 ( 0.454 2.523 0.880) 2.711 0.940 ( 2.709 9.637 -1.335) 10.099 0.940 ( 2.709 9.637 1.335) 10.099 1.003 ( -3.070 9.414 -1.767) 10.059 1.003 ( -3.070 9.414 1.767) 10.059 1.216 ( 2.624 0.332 -1.664) 3.124 1.216 ( 2.624 0.332 1.664) 3.124 1.392 ( 1.015 -1.137 -1.296) 2.000 1.392 ( 1.015 -1.137 1.296) 2.000 1.527 ( 4.271 2.301 -0.940) 4.941 1.527 ( 4.271 2.301 0.940) 4.941 1.625 ( -4.773 4.196 -0.829) 6.409 1.625 ( -4.773 4.196 0.829) 6.409 1.758 ( 9.415 6.345 -5.123) 12.456 1.758 ( 9.415 6.345 5.123) 12.456 1.921 ( 1.345 -0.048 -1.122) 1.752 1.921 ( 1.345 -0.048 1.122) 1.752 2.117 ( 6.743 6.242 -3.073) 9.689 2.117 ( 6.743 6.242 3.073) 9.689 2.174 ( -0.045 8.701 -1.761) 8.878 2.174 ( -0.045 8.701 1.761) 8.878 2.297 ( -1.441 2.160 -1.662) 3.083 2.297 ( -1.441 2.160 1.662) 3.083 2.393 ( -7.118 -1.645 -2.811) 7.828 2.393 ( -7.118 -1.645 2.811) 7.828 2.573 ( 3.249 -0.649 -0.973) 3.453 2.573 ( 3.249 -0.649 0.973) 3.453 2.702 ( -1.901 -3.125 -1.010) 3.795 2.702 ( -1.901 -3.125 1.010) 3.795 2.827 ( 9.122 -2.109 -2.947) 9.816 2.827 ( 9.122 -2.109 2.947) 9.816 3.100 ( -17.485 -2.390 -3.349) 17.962 3.100 ( -17.485 -2.390 3.349) 17.962 3.769 ( -0.760 8.030 -0.297) 8.072 3.769 ( -0.760 8.030 0.297) 8.072 3.864 ( -0.261 6.294 -0.215) 6.303 3.864 ( -0.261 6.294 0.215) 6.303 3.993 ( 0.298 2.974 -0.463) 3.024 3.993 ( 0.298 2.974 0.463) 3.024 4.001 ( -0.400 2.694 -0.642) 2.798 4.001 ( -0.400 2.694 0.642) 2.798 4.262 ( 2.347 1.584 -1.389) 3.153 4.262 ( 2.347 1.584 1.389) 3.153 4.341 ( -0.120 0.642 -2.177) 2.273 4.341 ( -0.120 0.642 2.177) 2.273 4.493 ( 3.505 -1.645 -1.461) 4.139 4.493 ( 3.505 -1.645 1.461) 4.139 4.579 ( -1.939 -0.982 -1.940) 2.913 4.579 ( -1.939 -0.982 1.940) 2.913 4.632 ( 2.334 3.882 -1.555) 4.789 4.632 ( 2.334 3.882 1.555) 4.789 4.706 ( -5.258 3.073 -0.834) 6.147 4.706 ( -5.258 3.073 0.834) 6.147 4.818 ( -0.881 -0.239 -0.058) 0.915 4.818 ( -0.881 -0.239 0.058) 0.915 4.943 ( 0.214 -1.762 -0.537) 1.854 4.943 ( 0.214 -1.762 0.537) 1.854 5.185 ( -0.342 -1.478 -0.823) 1.726 5.185 ( -0.342 -1.478 0.823) 1.726 5.289 ( 0.028 0.446 -0.592) 0.741 5.289 ( 0.028 0.446 0.592) 0.741 5.481 ( 3.280 -1.908 -1.040) 3.934 5.481 ( 3.280 -1.908 1.040) 3.934 5.595 ( 2.753 -3.107 -0.601) 4.194 5.595 ( 2.753 -3.107 0.601) 4.194 5.732 ( 3.619 -3.108 -2.701) 5.482 5.732 ( 3.619 -3.108 2.701) 5.482 5.822 ( -4.945 -3.635 -2.632) 6.678 5.822 ( -4.945 -3.635 2.632) 6.678 ======================= Grid point 150 (49/63) ======================= q-point: ( 0.00 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 0.000 10.406 -7.612) 12.893 0.681 ( 0.000 10.406 7.612) 12.893 0.774 ( 0.000 9.837 -4.390) 10.772 0.774 ( 0.000 9.837 4.390) 10.772 1.018 ( 0.000 -0.446 -1.570) 1.632 1.018 ( 0.000 -0.446 1.570) 1.632 1.106 ( 0.000 6.220 -0.200) 6.223 1.106 ( 0.000 6.220 0.200) 6.223 1.177 ( 0.000 4.688 -2.083) 5.130 1.177 ( 0.000 4.688 2.083) 5.130 1.348 ( 0.000 7.752 -0.156) 7.753 1.348 ( 0.000 7.752 0.156) 7.753 1.556 ( 0.000 7.591 -0.741) 7.627 1.556 ( 0.000 7.591 0.741) 7.627 1.625 ( 0.000 2.950 -1.282) 3.216 1.625 ( 0.000 2.950 1.282) 3.216 1.777 ( 0.000 6.062 -2.031) 6.393 1.777 ( 0.000 6.062 2.031) 6.393 2.055 ( 0.000 11.068 -1.276) 11.141 2.055 ( 0.000 11.068 1.276) 11.141 2.152 ( 0.000 7.819 -1.674) 7.996 2.152 ( 0.000 7.819 1.674) 7.996 2.351 ( 0.000 4.448 -1.792) 4.795 2.351 ( 0.000 4.448 1.792) 4.795 2.407 ( 0.000 1.103 -1.419) 1.797 2.407 ( 0.000 1.103 1.419) 1.797 2.461 ( 0.000 -0.431 -0.002) 0.431 2.461 ( 0.000 -0.431 0.002) 0.431 2.485 ( 0.000 1.114 -1.434) 1.816 2.485 ( 0.000 1.114 1.434) 1.816 2.591 ( 0.000 -0.697 -4.435) 4.489 2.591 ( 0.000 -0.697 4.435) 4.489 2.708 ( 0.000 -1.426 -2.810) 3.152 2.708 ( 0.000 -1.426 2.810) 3.152 3.524 ( 0.000 -3.013 -1.927) 3.577 3.524 ( 0.000 -3.013 1.927) 3.577 3.888 ( 0.000 -0.236 -1.339) 1.359 3.888 ( 0.000 -0.236 1.339) 1.359 3.978 ( 0.000 7.931 -2.360) 8.274 3.978 ( 0.000 7.931 2.360) 8.274 4.084 ( 0.000 4.723 -0.783) 4.788 4.084 ( 0.000 4.723 0.783) 4.788 4.152 ( 0.000 2.822 -0.550) 2.875 4.152 ( 0.000 2.822 0.550) 2.875 4.243 ( 0.000 3.927 -0.347) 3.942 4.243 ( 0.000 3.927 0.347) 3.942 4.284 ( 0.000 5.707 -3.855) 6.887 4.284 ( 0.000 5.707 3.855) 6.887 4.468 ( 0.000 -1.035 -0.776) 1.293 4.468 ( 0.000 -1.035 0.776) 1.293 4.618 ( 0.000 -0.547 -4.038) 4.074 4.618 ( 0.000 -0.547 4.038) 4.074 4.680 ( 0.000 3.953 -1.139) 4.114 4.680 ( 0.000 3.953 1.139) 4.114 4.832 ( 0.000 -1.923 -0.929) 2.135 4.832 ( 0.000 -1.923 0.929) 2.135 4.877 ( 0.000 -0.189 -0.381) 0.425 4.877 ( 0.000 -0.189 0.381) 0.425 4.996 ( 0.000 -0.386 -0.163) 0.419 4.996 ( 0.000 -0.386 0.163) 0.419 5.063 ( 0.000 -3.433 -3.219) 4.706 5.063 ( 0.000 -3.433 3.219) 4.706 5.248 ( 0.000 -1.146 -0.506) 1.252 5.248 ( 0.000 -1.146 0.506) 1.252 5.306 ( 0.000 0.967 -0.880) 1.307 5.306 ( 0.000 0.967 0.880) 1.307 5.442 ( 0.000 -1.398 -0.062) 1.400 5.442 ( 0.000 -1.398 0.062) 1.400 5.610 ( 0.000 -2.651 -1.373) 2.986 5.610 ( 0.000 -2.651 1.373) 2.986 5.832 ( 0.000 -6.157 -1.897) 6.443 5.832 ( 0.000 -6.157 1.897) 6.443 ======================= Grid point 152 (50/63) ======================= q-point: ( 0.20 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 1.284 10.320 -5.040) 11.556 0.700 ( 1.284 10.320 5.040) 11.556 0.839 ( 2.806 7.246 -3.140) 8.381 0.839 ( 2.806 7.246 3.140) 8.381 1.019 ( 0.710 1.893 -0.944) 2.231 1.019 ( 0.710 1.893 0.944) 2.231 1.143 ( 2.949 6.843 -2.065) 7.732 1.143 ( 2.949 6.843 2.065) 7.732 1.228 ( 4.487 3.755 -4.159) 7.178 1.228 ( 4.487 3.755 4.159) 7.178 1.398 ( 3.551 5.822 -0.967) 6.888 1.398 ( 3.551 5.822 0.967) 6.888 1.543 ( 0.148 7.339 -3.624) 8.187 1.543 ( 0.148 7.339 3.624) 8.187 1.648 ( 2.606 0.275 -3.559) 4.420 1.648 ( 2.606 0.275 3.559) 4.420 1.784 ( 2.350 8.768 -3.785) 9.835 1.784 ( 2.350 8.768 3.785) 9.835 2.047 ( -0.649 10.648 -1.720) 10.806 2.047 ( -0.649 10.648 1.720) 10.806 2.159 ( 1.020 8.012 -0.307) 8.082 2.159 ( 1.020 8.012 0.307) 8.082 2.334 ( -1.309 3.948 -1.128) 4.310 2.334 ( -1.309 3.948 1.128) 4.310 2.393 ( -1.588 1.367 -2.151) 3.003 2.393 ( -1.588 1.367 2.151) 3.003 2.450 ( -0.848 1.667 -2.311) 2.973 2.450 ( -0.848 1.667 2.311) 2.973 2.519 ( 2.724 2.075 -0.996) 3.567 2.519 ( 2.724 2.075 0.996) 3.567 2.619 ( 2.386 -2.689 -3.910) 5.311 2.619 ( 2.386 -2.689 3.910) 5.311 2.712 ( 0.830 -1.114 -2.488) 2.849 2.712 ( 0.830 -1.114 2.488) 2.849 3.379 ( -14.131 -2.767 -1.916) 14.526 3.379 ( -14.131 -2.767 1.916) 14.526 3.900 ( 0.993 1.192 -1.126) 1.917 3.900 ( 0.993 1.192 1.126) 1.917 3.965 ( -1.051 6.483 -2.390) 6.989 3.965 ( -1.051 6.483 2.390) 6.989 4.075 ( -0.679 4.809 -0.922) 4.943 4.075 ( -0.679 4.809 0.922) 4.943 4.115 ( -2.603 4.162 -1.296) 5.077 4.115 ( -2.603 4.162 1.296) 5.077 4.261 ( 2.195 3.655 -0.942) 4.366 4.261 ( 2.195 3.655 0.942) 4.366 4.335 ( 3.223 2.938 -3.028) 5.309 4.335 ( 3.223 2.938 3.028) 5.309 4.459 ( -0.711 -0.875 -0.977) 1.492 4.459 ( -0.711 -0.875 0.977) 1.492 4.597 ( -1.970 -1.287 -3.911) 4.564 4.597 ( -1.970 -1.287 3.911) 4.564 4.686 ( 0.678 4.004 -0.905) 4.161 4.686 ( 0.678 4.004 0.905) 4.161 4.819 ( -1.197 0.214 -0.912) 1.520 4.819 ( -1.197 0.214 0.912) 1.520 4.867 ( -2.809 -0.088 -0.591) 2.872 4.867 ( -2.809 -0.088 0.591) 2.872 4.907 ( -2.233 -0.193 -0.920) 2.422 4.907 ( -2.233 -0.193 0.920) 2.422 5.144 ( 2.168 -2.424 -1.295) 3.501 5.144 ( 2.168 -2.424 1.295) 3.501 5.285 ( 2.767 -1.276 -1.856) 3.568 5.285 ( 2.767 -1.276 1.856) 3.568 5.331 ( 3.751 -0.485 -0.471) 3.811 5.331 ( 3.751 -0.485 0.471) 3.811 5.475 ( 2.954 -2.225 -0.264) 3.708 5.475 ( 2.954 -2.225 0.264) 3.708 5.623 ( 1.280 -3.102 -1.505) 3.678 5.623 ( 1.280 -3.102 1.505) 3.678 5.805 ( -2.494 -5.226 -1.811) 6.068 5.805 ( -2.494 -5.226 1.811) 6.068 ======================= Grid point 154 (51/63) ======================= q-point: ( 0.40 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -0.262 10.628 -0.996) 10.677 0.708 ( -0.262 10.628 0.996) 10.677 0.858 ( 0.196 7.155 -1.057) 7.236 0.858 ( 0.196 7.155 1.057) 7.236 1.051 ( 2.027 2.773 -0.771) 3.520 1.051 ( 2.027 2.773 0.771) 3.520 1.163 ( -0.671 7.281 -0.947) 7.373 1.163 ( -0.671 7.281 0.947) 7.373 1.314 ( 4.126 4.294 -4.781) 7.637 1.314 ( 4.126 4.294 4.781) 7.637 1.390 ( -2.922 2.942 -3.767) 5.602 1.390 ( -2.922 2.942 3.767) 5.602 1.582 ( 2.157 5.575 -0.151) 5.980 1.582 ( 2.157 5.575 0.151) 5.980 1.659 ( -1.551 0.675 -1.986) 2.609 1.659 ( -1.551 0.675 1.986) 2.609 1.947 ( 9.730 10.878 -4.519) 15.278 1.947 ( 9.730 10.878 4.519) 15.278 2.037 ( -0.610 9.490 -1.842) 9.686 2.037 ( -0.610 9.490 1.842) 9.686 2.212 ( 5.609 4.248 -1.437) 7.182 2.212 ( 5.609 4.248 1.437) 7.182 2.316 ( -1.046 3.019 -0.565) 3.244 2.316 ( -1.046 3.019 0.565) 3.244 2.359 ( -1.412 3.319 -1.901) 4.077 2.359 ( -1.412 3.319 1.901) 4.077 2.402 ( -4.059 6.020 -2.872) 7.808 2.402 ( -4.059 6.020 2.872) 7.808 2.572 ( 2.060 0.920 -0.883) 2.422 2.572 ( 2.060 0.920 0.883) 2.422 2.647 ( 0.186 -1.674 -1.833) 2.489 2.647 ( 0.186 -1.674 1.833) 2.489 2.785 ( 8.297 -2.242 -2.093) 8.845 2.785 ( 8.297 -2.242 2.093) 8.845 3.050 ( -17.855 -2.682 -2.028) 18.169 3.050 ( -17.855 -2.682 2.028) 18.169 3.911 ( 0.009 5.541 -0.436) 5.558 3.911 ( 0.009 5.541 0.436) 5.558 3.952 ( -0.180 2.862 -1.097) 3.071 3.952 ( -0.180 2.862 1.097) 3.071 4.066 ( -0.110 4.086 -0.900) 4.185 4.066 ( -0.110 4.086 0.900) 4.185 4.080 ( -1.047 4.677 -0.817) 4.862 4.080 ( -1.047 4.677 0.817) 4.862 4.309 ( 2.274 3.083 -0.850) 3.924 4.309 ( 2.274 3.083 0.850) 3.924 4.364 ( -0.486 1.321 -1.343) 1.945 4.364 ( -0.486 1.321 1.343) 1.945 4.464 ( 1.378 -1.434 -1.631) 2.572 4.464 ( 1.378 -1.434 1.631) 2.572 4.554 ( -2.096 -1.659 -2.520) 3.674 4.554 ( -2.096 -1.659 2.520) 3.674 4.709 ( 1.721 3.748 -0.618) 4.170 4.709 ( 1.721 3.748 0.618) 4.170 4.774 ( -3.183 3.411 -0.172) 4.668 4.774 ( -3.183 3.411 0.172) 4.668 4.818 ( -0.773 0.704 -0.024) 1.046 4.818 ( -0.773 0.704 0.024) 1.046 4.904 ( 0.236 -1.647 -0.193) 1.675 4.904 ( 0.236 -1.647 0.193) 1.675 5.154 ( -0.079 -1.386 -0.324) 1.426 5.154 ( -0.079 -1.386 0.324) 1.426 5.301 ( 0.028 0.528 -0.202) 0.565 5.301 ( 0.028 0.528 0.202) 0.565 5.434 ( 4.125 -2.697 -1.205) 5.074 5.434 ( 4.125 -2.697 1.205) 5.074 5.522 ( 1.267 -4.004 -0.396) 4.218 5.522 ( 1.267 -4.004 0.396) 4.218 5.653 ( 1.405 -4.562 -1.128) 4.905 5.653 ( 1.405 -4.562 1.128) 4.905 5.754 ( -2.160 -3.013 -1.088) 3.864 5.754 ( -2.160 -3.013 1.088) 3.864 ======================= Grid point 160 (52/63) ======================= q-point: ( 0.00 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 0.000 8.676 -1.570) 8.817 0.932 ( 0.000 8.676 1.570) 8.817 0.945 ( 0.000 8.749 -0.876) 8.793 0.945 ( 0.000 8.749 0.876) 8.793 1.048 ( 0.000 6.648 -0.091) 6.649 1.048 ( 0.000 6.648 0.091) 6.649 1.224 ( 0.000 4.566 -0.985) 4.671 1.224 ( 0.000 4.566 0.985) 4.671 1.240 ( 0.000 4.748 -0.976) 4.848 1.240 ( 0.000 4.748 0.976) 4.848 1.511 ( 0.000 4.725 -1.776) 5.048 1.511 ( 0.000 4.725 1.776) 5.048 1.588 ( 0.000 1.554 -0.379) 1.600 1.588 ( 0.000 1.554 0.379) 1.600 1.721 ( 0.000 4.739 -2.480) 5.349 1.721 ( 0.000 4.739 2.480) 5.349 1.870 ( 0.000 3.064 -0.111) 3.066 1.870 ( 0.000 3.064 0.111) 3.066 2.223 ( 0.000 1.914 -1.320) 2.325 2.223 ( 0.000 1.914 1.320) 2.325 2.323 ( 0.000 3.867 -1.147) 4.034 2.323 ( 0.000 3.867 1.147) 4.034 2.363 ( 0.000 3.407 -2.199) 4.055 2.363 ( 0.000 3.407 2.199) 4.055 2.460 ( 0.000 3.854 -2.398) 4.539 2.460 ( 0.000 3.854 2.398) 4.539 2.483 ( 0.000 4.595 -1.447) 4.817 2.483 ( 0.000 4.595 1.447) 4.817 2.550 ( 0.000 4.075 -0.869) 4.167 2.550 ( 0.000 4.075 0.869) 4.167 2.638 ( 0.000 5.901 -0.277) 5.908 2.638 ( 0.000 5.901 0.277) 5.908 2.731 ( 0.000 5.067 -0.488) 5.091 2.731 ( 0.000 5.067 0.488) 5.091 3.464 ( 0.000 -3.065 -0.411) 3.092 3.464 ( 0.000 -3.065 0.411) 3.092 3.903 ( 0.000 2.035 -2.148) 2.959 3.903 ( 0.000 2.035 2.148) 2.959 4.114 ( 0.000 5.512 -3.205) 6.376 4.114 ( 0.000 5.512 3.205) 6.376 4.130 ( 0.000 0.362 -0.531) 0.643 4.130 ( 0.000 0.362 0.531) 0.643 4.197 ( 0.000 2.345 -0.357) 2.373 4.197 ( 0.000 2.345 0.357) 2.373 4.294 ( 0.000 -2.617 -0.224) 2.627 4.294 ( 0.000 -2.617 0.224) 2.627 4.342 ( 0.000 3.119 -1.149) 3.324 4.342 ( 0.000 3.119 1.149) 3.324 4.423 ( 0.000 -3.188 -1.649) 3.589 4.423 ( 0.000 -3.188 1.649) 3.589 4.587 ( 0.000 -1.241 -7.664) 7.764 4.587 ( 0.000 -1.241 7.664) 7.764 4.742 ( 0.000 2.517 -0.644) 2.598 4.742 ( 0.000 2.517 0.644) 2.598 4.827 ( 0.000 1.922 -1.257) 2.297 4.827 ( 0.000 1.922 1.257) 2.297 4.902 ( 0.000 1.380 -0.553) 1.486 4.902 ( 0.000 1.380 0.553) 1.486 4.995 ( 0.000 0.638 -0.905) 1.107 4.995 ( 0.000 0.638 0.905) 1.107 5.022 ( 0.000 -0.559 -1.261) 1.380 5.022 ( 0.000 -0.559 1.261) 1.380 5.220 ( 0.000 -1.333 -0.282) 1.363 5.220 ( 0.000 -1.333 0.282) 1.363 5.325 ( 0.000 0.488 -1.237) 1.330 5.325 ( 0.000 0.488 1.237) 1.330 5.410 ( 0.000 -1.994 -0.483) 2.052 5.410 ( 0.000 -1.994 0.483) 2.052 5.571 ( 0.000 -1.047 -0.575) 1.195 5.571 ( 0.000 -1.047 0.575) 1.195 5.737 ( 0.000 -3.646 -0.245) 3.655 5.737 ( 0.000 -3.646 0.245) 3.655 ======================= Grid point 162 (53/63) ======================= q-point: ( 0.20 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -0.521 8.750 -1.043) 8.827 0.936 ( -0.521 8.750 1.043) 8.827 0.968 ( 1.765 6.519 -1.824) 6.996 0.968 ( 1.765 6.519 1.824) 6.996 1.076 ( 2.368 6.281 -0.805) 6.761 1.076 ( 2.368 6.281 0.805) 6.761 1.232 ( 1.000 2.815 -0.259) 2.998 1.232 ( 1.000 2.815 0.259) 2.998 1.316 ( 5.119 6.229 -2.323) 8.390 1.316 ( 5.119 6.229 2.323) 8.390 1.534 ( -0.626 3.833 -2.622) 4.686 1.534 ( -0.626 3.833 2.622) 4.686 1.591 ( 3.915 2.385 -3.197) 5.589 1.591 ( 3.915 2.385 3.197) 5.589 1.719 ( 0.079 4.988 -1.337) 5.165 1.719 ( 0.079 4.988 1.337) 5.165 1.907 ( 5.163 4.190 -0.906) 6.711 1.907 ( 5.163 4.190 0.906) 6.711 2.208 ( -1.160 2.703 -1.657) 3.376 2.208 ( -1.160 2.703 1.657) 3.376 2.308 ( -1.732 1.453 -1.127) 2.526 2.308 ( -1.732 1.453 1.127) 2.526 2.384 ( 0.811 4.644 -1.286) 4.887 2.384 ( 0.811 4.644 1.286) 4.887 2.416 ( -0.679 5.016 -1.847) 5.389 2.416 ( -0.679 5.016 1.847) 5.389 2.532 ( 2.334 4.881 -0.332) 5.420 2.532 ( 2.334 4.881 0.332) 5.420 2.584 ( 3.132 3.357 -1.119) 4.725 2.584 ( 3.132 3.357 1.119) 4.725 2.631 ( -0.426 5.559 -0.435) 5.592 2.631 ( -0.426 5.559 0.435) 5.592 2.731 ( 0.056 4.476 -0.454) 4.499 2.731 ( 0.056 4.476 0.454) 4.499 3.324 ( -13.776 -2.869 -0.574) 14.083 3.324 ( -13.776 -2.869 0.574) 14.083 3.922 ( 1.845 1.839 -1.723) 3.123 3.922 ( 1.845 1.839 1.723) 3.123 4.074 ( -2.783 4.111 -3.206) 5.910 4.074 ( -2.783 4.111 3.206) 5.910 4.131 ( -1.038 0.419 -0.759) 1.352 4.131 ( -1.038 0.419 0.759) 1.352 4.174 ( -1.585 2.508 -0.797) 3.072 4.174 ( -1.585 2.508 0.797) 3.072 4.311 ( 1.570 -1.219 -0.428) 2.033 4.311 ( 1.570 -1.219 0.428) 2.033 4.364 ( 1.482 1.199 -0.658) 2.017 4.364 ( 1.482 1.199 0.658) 2.017 4.431 ( 0.855 -0.954 -1.263) 1.799 4.431 ( 0.855 -0.954 1.263) 1.799 4.568 ( -1.760 -0.777 -6.310) 6.596 4.568 ( -1.760 -0.777 6.310) 6.596 4.746 ( 0.419 2.215 -0.764) 2.380 4.746 ( 0.419 2.215 0.764) 2.380 4.835 ( 0.472 1.574 -1.603) 2.296 4.835 ( 0.472 1.574 1.603) 2.296 4.876 ( -2.472 0.820 -0.337) 2.627 4.876 ( -2.472 0.820 0.337) 2.627 4.937 ( -1.976 2.915 -1.193) 3.718 4.937 ( -1.976 2.915 1.193) 3.718 5.110 ( 3.770 -0.867 -1.039) 4.006 5.110 ( 3.770 -0.867 1.039) 4.006 5.240 ( 2.742 -2.383 -1.278) 3.851 5.240 ( 2.742 -2.383 1.278) 3.851 5.341 ( 1.316 0.318 -1.422) 1.964 5.341 ( 1.316 0.318 1.422) 1.964 5.432 ( 2.004 -2.161 -0.477) 2.986 5.432 ( 2.004 -2.161 0.477) 2.986 5.575 ( 0.428 -1.430 -0.546) 1.590 5.575 ( 0.428 -1.430 0.546) 1.590 5.726 ( -1.042 -3.047 -0.209) 3.227 5.726 ( -1.042 -3.047 0.209) 3.227 ======================= Grid point 164 (54/63) ======================= q-point: ( 0.40 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -0.692 8.494 -0.400) 8.532 0.919 ( -0.692 8.494 0.400) 8.532 0.992 ( 0.612 5.665 -0.965) 5.779 0.992 ( 0.612 5.665 0.965) 5.779 1.121 ( 1.786 5.486 -0.241) 5.775 1.121 ( 1.786 5.486 0.241) 5.775 1.246 ( 0.238 1.892 -0.095) 1.910 1.246 ( 0.238 1.892 0.095) 1.910 1.376 ( 1.857 5.052 -2.481) 5.926 1.376 ( 1.857 5.052 2.481) 5.926 1.480 ( -2.899 3.664 -2.689) 5.391 1.480 ( -2.899 3.664 2.689) 5.391 1.684 ( 3.010 4.403 -1.914) 5.667 1.684 ( 3.010 4.403 1.914) 5.667 1.717 ( -0.745 4.650 -2.781) 5.469 1.717 ( -0.745 4.650 2.781) 5.469 2.101 ( 11.419 4.810 -0.928) 12.425 2.101 ( 11.419 4.810 0.928) 12.425 2.194 ( 0.213 4.679 -1.270) 4.853 2.194 ( 0.213 4.679 1.270) 4.853 2.274 ( -0.800 0.114 -0.983) 1.272 2.274 ( -0.800 0.114 0.983) 1.272 2.337 ( -4.484 1.897 -1.737) 5.169 2.337 ( -4.484 1.897 1.737) 5.169 2.468 ( 3.486 8.329 -0.941) 9.078 2.468 ( 3.486 8.329 0.941) 9.078 2.550 ( -0.560 8.482 -1.127) 8.575 2.550 ( -0.560 8.482 1.127) 8.575 2.622 ( 0.505 4.422 -0.127) 4.453 2.622 ( 0.505 4.422 0.127) 4.453 2.670 ( 3.849 3.602 -0.589) 5.304 2.670 ( 3.849 3.602 0.589) 5.304 2.753 ( 4.480 0.252 -0.333) 4.500 2.753 ( 4.480 0.252 0.333) 4.500 2.997 ( -18.068 -2.803 -0.768) 18.300 2.997 ( -18.068 -2.803 0.768) 18.300 3.964 ( 2.159 1.467 -0.504) 2.659 3.964 ( 2.159 1.467 0.504) 2.659 4.024 ( -2.186 4.087 -1.756) 4.957 4.024 ( -2.186 4.087 1.756) 4.957 4.105 ( -0.960 -0.170 -0.122) 0.982 4.105 ( -0.960 -0.170 0.122) 0.982 4.152 ( -0.652 1.966 -0.520) 2.136 4.152 ( -0.652 1.966 0.520) 2.136 4.343 ( 1.448 -1.119 -0.059) 1.831 4.343 ( 1.448 -1.119 0.059) 1.831 4.375 ( -0.373 0.589 -0.656) 0.957 4.375 ( -0.373 0.589 0.656) 0.957 4.460 ( 1.889 1.431 -1.343) 2.724 4.460 ( 1.889 1.431 1.343) 2.724 4.530 ( -1.896 -0.170 -3.400) 3.897 4.530 ( -1.896 -0.170 3.400) 3.897 4.761 ( 1.238 1.536 -0.611) 2.065 4.761 ( 1.238 1.536 0.611) 2.065 4.809 ( -2.449 0.644 -0.442) 2.570 4.809 ( -2.449 0.644 0.442) 2.570 4.861 ( 0.629 3.088 -0.881) 3.272 4.861 ( 0.629 3.088 0.881) 3.272 4.912 ( -0.877 2.581 -1.112) 2.944 4.912 ( -0.877 2.581 1.112) 2.944 5.140 ( 0.289 0.012 -0.184) 0.343 5.140 ( 0.289 0.012 0.184) 0.343 5.290 ( 1.012 -1.979 -0.577) 2.296 5.290 ( 1.012 -1.979 0.577) 2.296 5.395 ( 4.026 -1.340 -1.409) 4.471 5.395 ( 4.026 -1.340 1.409) 4.471 5.454 ( -0.474 -2.745 -0.822) 2.904 5.454 ( -0.474 -2.745 0.822) 2.904 5.583 ( 0.254 -2.187 -0.284) 2.220 5.583 ( 0.254 -2.187 0.284) 2.220 5.707 ( -0.643 -1.945 -0.112) 2.052 5.707 ( -0.643 -1.945 0.112) 2.052 ======================= Grid point 170 (55/63) ======================= q-point: ( 0.00 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 0.000 -0.800 -0.389) 0.889 0.973 ( 0.000 -0.800 0.389) 0.889 1.041 ( 0.000 1.878 -1.054) 2.153 1.041 ( 0.000 1.878 1.054) 2.153 1.251 ( 0.000 4.188 -1.719) 4.527 1.251 ( 0.000 4.188 1.719) 4.527 1.290 ( 0.000 6.134 -1.707) 6.368 1.290 ( 0.000 6.134 1.707) 6.368 1.376 ( 0.000 7.947 -0.669) 7.975 1.376 ( 0.000 7.947 0.669) 7.975 1.512 ( 0.000 -0.145 -3.991) 3.994 1.512 ( 0.000 -0.145 3.991) 3.994 1.651 ( 0.000 2.493 -0.814) 2.622 1.651 ( 0.000 2.493 0.814) 2.622 1.805 ( 0.000 4.305 -1.336) 4.507 1.805 ( 0.000 4.305 1.336) 4.507 1.917 ( 0.000 2.268 -0.262) 2.283 1.917 ( 0.000 2.268 0.262) 2.283 2.138 ( 0.000 -7.378 -1.082) 7.457 2.138 ( 0.000 -7.378 1.082) 7.457 2.326 ( 0.000 -0.972 -0.833) 1.280 2.326 ( 0.000 -0.972 0.833) 1.280 2.389 ( 0.000 -1.239 -1.104) 1.660 2.389 ( 0.000 -1.239 1.104) 1.660 2.479 ( 0.000 -0.619 -0.090) 0.626 2.479 ( 0.000 -0.619 0.090) 0.626 2.666 ( 0.000 9.866 -1.333) 9.956 2.666 ( 0.000 9.866 1.333) 9.956 2.698 ( 0.000 8.812 -0.381) 8.820 2.698 ( 0.000 8.812 0.381) 8.820 2.751 ( 0.000 6.167 -0.349) 6.177 2.751 ( 0.000 6.167 0.349) 6.177 2.921 ( 0.000 12.710 -1.411) 12.788 2.921 ( 0.000 12.710 1.411) 12.788 3.413 ( 0.000 -2.071 -0.587) 2.153 3.413 ( 0.000 -2.071 0.587) 2.153 3.960 ( 0.000 3.360 -2.042) 3.932 3.960 ( 0.000 3.360 2.042) 3.932 4.090 ( 0.000 -4.695 -1.338) 4.882 4.090 ( 0.000 -4.695 1.338) 4.882 4.183 ( 0.000 1.671 -0.205) 1.683 4.183 ( 0.000 1.671 0.205) 1.683 4.206 ( 0.000 -2.699 -0.009) 2.699 4.206 ( 0.000 -2.699 0.009) 2.699 4.254 ( 0.000 2.776 -2.186) 3.534 4.254 ( 0.000 2.776 2.186) 3.534 4.331 ( 0.000 -1.221 -1.702) 2.095 4.331 ( 0.000 -1.221 1.702) 2.095 4.450 ( 0.000 3.349 -1.616) 3.718 4.450 ( 0.000 3.349 1.616) 3.718 4.579 ( 0.000 -0.326 -5.865) 5.874 4.579 ( 0.000 -0.326 5.865) 5.874 4.784 ( 0.000 1.911 -1.461) 2.405 4.784 ( 0.000 1.911 1.461) 2.405 4.869 ( 0.000 1.556 -1.779) 2.364 4.869 ( 0.000 1.556 1.779) 2.364 4.904 ( 0.000 -0.156 -0.038) 0.161 4.904 ( 0.000 -0.156 0.038) 0.161 5.020 ( 0.000 0.311 -1.520) 1.552 5.020 ( 0.000 0.311 1.520) 1.552 5.039 ( 0.000 2.702 -0.149) 2.706 5.039 ( 0.000 2.702 0.149) 2.706 5.200 ( 0.000 -0.806 -0.822) 1.152 5.200 ( 0.000 -0.806 0.822) 1.152 5.315 ( 0.000 -1.783 -1.613) 2.405 5.315 ( 0.000 -1.783 1.613) 2.405 5.371 ( 0.000 -1.642 -0.379) 1.685 5.371 ( 0.000 -1.642 0.379) 1.685 5.572 ( 0.000 0.869 -0.088) 0.874 5.572 ( 0.000 0.869 0.088) 0.874 5.686 ( 0.000 -1.867 -1.548) 2.425 5.686 ( 0.000 -1.867 1.548) 2.425 ======================= Grid point 172 (56/63) ======================= q-point: ( 0.20 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 0.677 -0.574 -0.488) 1.013 0.980 ( 0.677 -0.574 0.488) 1.013 1.048 ( 0.258 1.138 -0.998) 1.536 1.048 ( 0.258 1.138 0.998) 1.536 1.244 ( -0.574 4.604 -1.171) 4.786 1.244 ( -0.574 4.604 1.171) 4.786 1.285 ( -0.249 3.555 -0.740) 3.640 1.285 ( -0.249 3.555 0.740) 3.640 1.449 ( 3.639 7.464 -2.849) 8.779 1.449 ( 3.639 7.464 2.849) 8.779 1.543 ( 2.442 1.005 -4.894) 5.561 1.543 ( 2.442 1.005 4.894) 5.561 1.673 ( 4.003 3.786 -3.286) 6.415 1.673 ( 4.003 3.786 3.286) 6.415 1.803 ( -0.186 3.948 -2.487) 4.670 1.803 ( -0.186 3.948 2.487) 4.670 1.967 ( 6.208 2.232 -0.887) 6.657 1.967 ( 6.208 2.232 0.887) 6.657 2.150 ( 1.438 -5.924 -0.995) 6.177 2.150 ( 1.438 -5.924 0.995) 6.177 2.301 ( -2.808 -1.615 -0.956) 3.377 2.301 ( -2.808 -1.615 0.956) 3.377 2.375 ( -0.853 -1.462 -2.190) 2.767 2.375 ( -0.853 -1.462 2.190) 2.767 2.503 ( 2.607 -0.675 -0.672) 2.776 2.503 ( 2.607 -0.675 0.672) 2.776 2.682 ( 0.825 9.798 -0.721) 9.859 2.682 ( 0.825 9.798 0.721) 9.859 2.705 ( 0.868 7.313 -0.718) 7.399 2.705 ( 0.868 7.313 0.718) 7.399 2.759 ( 1.121 7.634 -0.481) 7.731 2.759 ( 1.121 7.634 0.481) 7.731 2.907 ( -1.453 12.047 -1.707) 12.253 2.907 ( -1.453 12.047 1.707) 12.253 3.275 ( -13.551 -1.889 -0.668) 13.698 3.275 ( -13.551 -1.889 0.668) 13.698 3.970 ( 0.943 2.636 -1.701) 3.276 3.970 ( 0.943 2.636 1.701) 3.276 4.081 ( -0.803 -4.205 -1.150) 4.432 4.081 ( -0.803 -4.205 1.150) 4.432 4.139 ( -2.577 2.157 -1.870) 3.845 4.139 ( -2.577 2.157 1.870) 3.845 4.190 ( -1.972 -0.385 -2.072) 2.886 4.190 ( -1.972 -0.385 2.072) 2.886 4.283 ( 2.634 0.855 -1.334) 3.074 4.283 ( 2.634 0.855 1.334) 3.074 4.358 ( 1.610 -0.653 -1.350) 2.201 4.358 ( 1.610 -0.653 1.350) 2.201 4.466 ( 1.503 2.743 -1.307) 3.390 4.466 ( 1.503 2.743 1.307) 3.390 4.566 ( -1.173 -0.051 -4.647) 4.793 4.566 ( -1.173 -0.051 4.647) 4.793 4.781 ( -0.224 1.574 -1.397) 2.117 4.781 ( -0.224 1.574 1.397) 2.117 4.854 ( -1.732 0.111 -1.507) 2.299 4.854 ( -1.732 0.111 1.507) 2.299 4.899 ( 0.269 1.749 -0.549) 1.852 4.899 ( 0.269 1.749 0.549) 1.852 4.998 ( -1.242 2.764 -1.593) 3.424 4.998 ( -1.242 2.764 1.593) 3.424 5.107 ( 4.287 0.201 -1.409) 4.517 5.107 ( 4.287 0.201 1.409) 4.517 5.203 ( 0.937 -1.415 -0.536) 1.780 5.203 ( 0.937 -1.415 0.536) 1.780 5.324 ( 0.829 -2.115 -1.517) 2.731 5.324 ( 0.829 -2.115 1.517) 2.731 5.399 ( 2.317 -1.141 -0.238) 2.594 5.399 ( 2.317 -1.141 0.238) 2.594 5.572 ( 0.013 0.813 -0.154) 0.828 5.572 ( 0.013 0.813 0.154) 0.828 5.682 ( -0.336 -1.648 -1.272) 2.109 5.682 ( -0.336 -1.648 1.272) 2.109 ======================= Grid point 174 (57/63) ======================= q-point: ( 0.40 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 0.573 0.486 -0.254) 0.793 0.994 ( 0.573 0.486 0.254) 0.793 1.046 ( -0.295 0.149 -0.472) 0.576 1.046 ( -0.295 0.149 0.472) 0.576 1.235 ( -0.279 3.707 -0.311) 3.731 1.235 ( -0.279 3.707 0.311) 3.731 1.280 ( -0.234 1.288 -0.163) 1.319 1.280 ( -0.234 1.288 0.163) 1.319 1.487 ( 1.069 6.038 -2.327) 6.558 1.487 ( 1.069 6.038 2.327) 6.558 1.548 ( -0.803 4.329 -2.560) 5.093 1.548 ( -0.803 4.329 2.560) 5.093 1.762 ( 3.004 3.749 -3.402) 5.887 1.762 ( 3.004 3.749 3.402) 5.887 1.795 ( -0.827 3.540 -3.473) 5.028 1.795 ( -0.827 3.540 3.473) 5.028 2.139 ( 6.588 -2.065 -0.941) 6.968 2.139 ( 6.588 -2.065 0.941) 6.968 2.219 ( 3.469 0.217 -0.044) 3.476 2.219 ( 3.469 0.217 0.044) 3.476 2.237 ( 0.625 -2.798 -0.041) 2.867 2.237 ( 0.625 -2.798 0.041) 2.867 2.349 ( -2.574 0.256 -1.509) 2.995 2.349 ( -2.574 0.256 1.509) 2.995 2.605 ( 9.104 -1.444 -0.825) 9.255 2.605 ( 9.104 -1.444 0.825) 9.255 2.688 ( -0.000 9.706 -0.383) 9.713 2.688 ( -0.000 9.706 0.383) 9.713 2.722 ( 1.026 4.672 -0.629) 4.825 2.722 ( 1.026 4.672 0.629) 4.825 2.794 ( 1.491 10.278 -1.009) 10.435 2.794 ( 1.491 10.278 1.009) 10.435 2.869 ( -2.268 9.445 -1.949) 9.907 2.869 ( -2.268 9.445 1.949) 9.907 2.951 ( -17.572 -0.641 -1.440) 17.643 2.951 ( -17.572 -0.641 1.440) 17.643 3.989 ( 0.791 0.777 -0.736) 1.331 3.989 ( 0.791 0.777 0.736) 1.331 4.066 ( -0.600 -2.935 -0.341) 3.015 4.066 ( -0.600 -2.935 0.341) 3.015 4.103 ( -1.073 3.806 -1.054) 4.092 4.103 ( -1.073 3.806 1.054) 4.092 4.160 ( -0.860 0.414 -1.127) 1.477 4.160 ( -0.860 0.414 1.127) 1.477 4.329 ( 1.821 0.355 -0.711) 1.987 4.329 ( 1.821 0.355 0.711) 1.987 4.371 ( -0.212 -0.561 -1.100) 1.253 4.371 ( -0.212 -0.561 1.100) 1.253 4.497 ( 1.309 1.521 -0.859) 2.183 4.497 ( 1.309 1.521 0.859) 2.183 4.543 ( -0.981 0.934 -1.941) 2.367 4.543 ( -0.981 0.934 1.941) 2.367 4.781 ( 0.244 0.781 -0.917) 1.229 4.781 ( 0.244 0.781 0.917) 1.229 4.819 ( -1.402 0.482 -0.864) 1.716 4.819 ( -1.402 0.482 0.864) 1.716 4.914 ( 0.913 2.224 -1.250) 2.710 4.914 ( 0.913 2.224 1.250) 2.710 4.972 ( -1.201 3.023 -1.586) 3.619 4.972 ( -1.201 3.023 1.586) 3.619 5.149 ( 0.534 0.619 -0.354) 0.891 5.149 ( 0.534 0.619 0.354) 0.891 5.238 ( 1.334 -2.897 -0.512) 3.230 5.238 ( 1.334 -2.897 0.512) 3.230 5.365 ( 3.500 -1.767 -1.133) 4.081 5.365 ( 3.500 -1.767 1.133) 4.081 5.420 ( -0.845 -1.142 -0.588) 1.538 5.420 ( -0.845 -1.142 0.588) 1.538 5.572 ( -0.021 0.736 -0.103) 0.743 5.572 ( -0.021 0.736 0.103) 0.743 5.677 ( -0.170 -1.298 -0.503) 1.402 5.677 ( -0.170 -1.298 0.503) 1.402 ======================= Grid point 180 (58/63) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 0.000 -1.906 -0.405) 1.948 0.942 ( 0.000 -1.906 0.405) 1.948 1.036 ( 0.000 -2.017 -1.176) 2.334 1.036 ( 0.000 -2.017 1.176) 2.334 1.252 ( 0.000 -2.803 -2.111) 3.509 1.252 ( 0.000 -2.803 2.111) 3.509 1.293 ( 0.000 -3.796 -0.527) 3.832 1.293 ( 0.000 -3.796 0.527) 3.832 1.507 ( 0.000 5.172 -1.365) 5.349 1.507 ( 0.000 5.172 1.365) 5.349 1.582 ( 0.000 2.634 -4.780) 5.457 1.582 ( 0.000 2.634 4.780) 5.457 1.707 ( 0.000 5.786 -0.301) 5.793 1.707 ( 0.000 5.786 0.301) 5.793 1.880 ( 0.000 3.144 -3.215) 4.497 1.880 ( 0.000 3.144 3.215) 4.497 1.962 ( 0.000 2.138 -0.059) 2.139 1.962 ( 0.000 2.138 0.059) 2.139 2.016 ( 0.000 -3.991 -0.296) 4.002 2.016 ( 0.000 -3.991 0.296) 4.002 2.284 ( 0.000 -3.863 -1.298) 4.075 2.284 ( 0.000 -3.863 1.298) 4.075 2.356 ( 0.000 -1.188 -1.238) 1.715 2.356 ( 0.000 -1.188 1.238) 1.715 2.459 ( 0.000 -1.321 -0.443) 1.393 2.459 ( 0.000 -1.321 0.443) 1.393 2.778 ( 0.000 3.226 -2.780) 4.258 2.778 ( 0.000 3.226 2.780) 4.258 2.857 ( 0.000 5.819 -1.050) 5.913 2.857 ( 0.000 5.819 1.050) 5.913 2.900 ( 0.000 8.983 -2.345) 9.284 2.900 ( 0.000 8.983 2.345) 9.284 3.120 ( 0.000 6.453 -1.149) 6.554 3.120 ( 0.000 6.453 1.149) 6.554 3.395 ( 0.000 0.311 -0.973) 1.021 3.395 ( 0.000 0.311 0.973) 1.021 3.963 ( 0.000 -3.783 -0.334) 3.797 3.963 ( 0.000 -3.783 0.334) 3.797 4.052 ( 0.000 2.669 -1.888) 3.270 4.052 ( 0.000 2.669 1.888) 3.270 4.202 ( 0.000 1.759 -0.239) 1.775 4.202 ( 0.000 1.759 0.239) 1.775 4.215 ( 0.000 2.141 -0.250) 2.155 4.215 ( 0.000 2.141 0.250) 2.155 4.296 ( 0.000 1.110 -1.960) 2.253 4.296 ( 0.000 1.110 1.960) 2.253 4.345 ( 0.000 2.552 -1.951) 3.212 4.345 ( 0.000 2.552 1.951) 3.212 4.497 ( 0.000 1.528 -1.394) 2.068 4.497 ( 0.000 1.528 1.394) 2.068 4.561 ( 0.000 -1.646 -3.037) 3.454 4.561 ( 0.000 -1.646 3.037) 3.454 4.814 ( 0.000 1.254 -1.209) 1.742 4.814 ( 0.000 1.254 1.209) 1.742 4.875 ( 0.000 -0.201 -1.097) 1.116 4.875 ( 0.000 -0.201 1.097) 1.116 4.926 ( 0.000 1.706 -0.129) 1.711 4.926 ( 0.000 1.706 0.129) 1.711 5.016 ( 0.000 -0.596 -1.051) 1.209 5.016 ( 0.000 -0.596 1.051) 1.209 5.083 ( 0.000 1.434 -0.219) 1.450 5.083 ( 0.000 1.434 0.219) 1.450 5.186 ( 0.000 -0.751 -1.746) 1.901 5.186 ( 0.000 -0.751 1.746) 1.901 5.260 ( 0.000 -3.504 -1.354) 3.756 5.260 ( 0.000 -3.504 1.354) 3.756 5.352 ( 0.000 -0.529 -0.304) 0.610 5.352 ( 0.000 -0.529 0.304) 0.610 5.592 ( 0.000 1.025 -0.290) 1.065 5.592 ( 0.000 1.025 0.290) 1.065 5.660 ( 0.000 -0.896 -1.687) 1.910 5.660 ( 0.000 -0.896 1.687) 1.910 ======================= Grid point 182 (59/63) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 1.060 -1.804 -0.379) 2.127 0.952 ( 1.060 -1.804 0.379) 2.127 1.035 ( -0.218 -2.012 -0.971) 2.245 1.035 ( -0.218 -2.012 0.971) 2.245 1.250 ( -0.275 -2.599 -1.562) 3.045 1.250 ( -0.275 -2.599 1.562) 3.045 1.276 ( -1.230 -3.438 -0.364) 3.670 1.276 ( -1.230 -3.438 0.364) 3.670 1.581 ( 1.857 3.532 -2.772) 4.859 1.581 ( 1.857 3.532 2.772) 4.859 1.613 ( 4.347 5.841 -0.662) 7.311 1.613 ( 4.347 5.841 0.662) 7.311 1.742 ( 4.748 4.148 -1.576) 6.499 1.742 ( 4.748 4.148 1.576) 6.499 1.872 ( -0.664 2.819 -3.056) 4.210 1.872 ( -0.664 2.819 3.056) 4.210 1.988 ( 2.570 -0.104 -0.905) 2.726 1.988 ( 2.570 -0.104 0.905) 2.726 2.061 ( 5.911 -2.013 -0.434) 6.259 2.061 ( 5.911 -2.013 0.434) 6.259 2.247 ( -3.591 -3.929 -0.921) 5.402 2.247 ( -3.591 -3.929 0.921) 5.402 2.353 ( 0.128 -0.528 -1.335) 1.441 2.353 ( 0.128 -0.528 1.335) 1.441 2.467 ( 0.899 -2.328 -0.263) 2.509 2.467 ( 0.899 -2.328 0.263) 2.509 2.787 ( 0.842 3.296 -2.731) 4.363 2.787 ( 0.842 3.296 2.731) 4.363 2.849 ( -0.741 5.531 -1.423) 5.759 2.849 ( -0.741 5.531 1.423) 5.759 2.935 ( 3.187 9.402 -2.244) 10.178 2.935 ( 3.187 9.402 2.244) 10.178 3.086 ( -4.195 4.598 -1.179) 6.335 3.086 ( -4.195 4.598 1.179) 6.335 3.275 ( -11.025 2.455 -1.221) 11.361 3.275 ( -11.025 2.455 1.221) 11.361 3.968 ( 0.553 -3.122 -0.379) 3.194 3.968 ( 0.553 -3.122 0.379) 3.194 4.043 ( -0.859 1.718 -1.491) 2.432 4.043 ( -0.859 1.718 1.491) 2.432 4.193 ( -0.814 3.723 -1.305) 4.028 4.193 ( -0.814 3.723 1.305) 4.028 4.211 ( -0.159 2.196 -1.311) 2.562 4.211 ( -0.159 2.196 1.311) 2.562 4.309 ( 1.238 1.078 -1.777) 2.419 4.309 ( 1.238 1.078 1.777) 2.419 4.360 ( 0.990 0.966 -1.446) 2.001 4.360 ( 0.990 0.966 1.446) 2.001 4.500 ( 0.245 0.659 -0.852) 1.104 4.500 ( 0.245 0.659 0.852) 1.104 4.556 ( -0.337 -0.965 -1.938) 2.191 4.556 ( -0.337 -0.965 1.938) 2.191 4.806 ( -0.700 1.057 -1.318) 1.829 4.806 ( -0.700 1.057 1.318) 1.829 4.853 ( -1.640 -0.063 -1.162) 2.011 4.853 ( -1.640 -0.063 1.162) 2.011 4.933 ( 0.664 1.674 -0.774) 1.960 4.933 ( 0.664 1.674 0.774) 1.960 5.030 ( 0.009 0.513 -0.883) 1.021 5.030 ( 0.009 0.513 0.883) 1.021 5.111 ( 3.178 0.226 -0.578) 3.238 5.111 ( 3.178 0.226 0.578) 3.238 5.182 ( -0.069 -0.904 -1.462) 1.720 5.182 ( -0.069 -0.904 1.462) 1.720 5.272 ( 1.509 -3.018 -1.276) 3.608 5.272 ( 1.509 -3.018 1.276) 3.608 5.385 ( 2.381 -0.507 -0.121) 2.437 5.385 ( 2.381 -0.507 0.121) 2.437 5.593 ( 0.097 1.125 -0.337) 1.179 5.593 ( 0.097 1.125 0.337) 1.179 5.658 ( -0.189 -0.917 -1.409) 1.692 5.658 ( -0.189 -0.917 1.409) 1.692 ======================= Grid point 184 (60/63) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 1.390 -1.450 -0.187) 2.018 0.978 ( 1.390 -1.450 0.187) 2.018 1.023 ( -0.928 -1.951 -0.357) 2.190 1.023 ( -0.928 -1.951 0.357) 2.190 1.240 ( -0.582 -2.333 -0.185) 2.412 1.240 ( -0.582 -2.333 0.185) 2.412 1.261 ( -0.305 -3.067 -0.380) 3.106 1.261 ( -0.305 -3.067 0.380) 3.106 1.600 ( 0.537 5.205 -1.456) 5.432 1.600 ( 0.537 5.205 1.456) 5.432 1.648 ( 0.322 5.593 -0.742) 5.651 1.648 ( 0.322 5.593 0.742) 5.651 1.825 ( 2.036 2.332 -2.299) 3.856 1.825 ( 2.036 2.332 2.299) 3.856 1.861 ( -0.381 3.222 -2.521) 4.109 1.861 ( -0.381 3.222 2.521) 4.109 2.049 ( 3.650 -5.053 -1.275) 6.363 2.049 ( 3.650 -5.053 1.275) 6.363 2.143 ( -3.821 -5.150 -1.026) 6.495 2.143 ( -3.821 -5.150 1.026) 6.495 2.275 ( 8.195 3.574 -0.745) 8.971 2.275 ( 8.195 3.574 0.745) 8.971 2.363 ( 0.740 0.996 -0.955) 1.566 2.363 ( 0.740 0.996 0.955) 1.566 2.537 ( 9.940 -4.381 -0.778) 10.890 2.537 ( 9.940 -4.381 0.778) 10.890 2.800 ( -2.027 2.996 -1.469) 3.905 2.800 ( -2.027 2.996 1.469) 3.905 2.826 ( -2.036 4.307 -0.927) 4.854 2.826 ( -2.036 4.307 0.927) 4.854 2.877 ( -13.522 -0.863 -0.456) 13.558 2.877 ( -13.522 -0.863 0.456) 13.558 3.015 ( 3.906 9.557 -3.332) 10.848 3.015 ( 3.906 9.557 3.332) 10.848 3.104 ( -5.350 9.599 -2.514) 11.273 3.104 ( -5.350 9.599 2.514) 11.273 3.982 ( 0.782 -1.153 -0.265) 1.418 3.982 ( 0.782 -1.153 0.265) 1.418 4.023 ( -0.997 -0.638 -0.606) 1.330 4.023 ( -0.997 -0.638 0.606) 1.330 4.184 ( -0.068 4.620 -0.866) 4.701 4.184 ( -0.068 4.620 0.866) 4.701 4.206 ( -0.299 3.857 -1.343) 4.095 4.206 ( -0.299 3.857 1.343) 4.095 4.338 ( 1.624 0.174 -1.210) 2.033 4.338 ( 1.624 0.174 1.210) 2.033 4.364 ( -0.717 -0.208 -1.473) 1.652 4.364 ( -0.717 -0.208 1.473) 1.652 4.507 ( 0.345 -0.303 -0.310) 0.554 4.507 ( 0.345 -0.303 0.310) 0.554 4.551 ( -0.141 -0.245 -0.453) 0.534 4.551 ( -0.141 -0.245 0.453) 0.534 4.795 ( -0.322 0.726 -0.802) 1.128 4.795 ( -0.322 0.726 0.802) 1.128 4.827 ( -0.791 0.277 -0.675) 1.076 4.827 ( -0.791 0.277 0.675) 1.076 4.949 ( 0.751 1.525 -0.948) 1.947 4.949 ( 0.751 1.525 0.948) 1.947 5.015 ( -0.972 1.230 -1.195) 1.971 5.015 ( -0.972 1.230 1.195) 1.971 5.155 ( 0.797 -0.134 -0.082) 0.812 5.155 ( 0.797 -0.134 0.082) 0.812 5.187 ( 0.349 -2.218 -0.257) 2.260 5.187 ( 0.349 -2.218 0.257) 2.260 5.334 ( 4.497 -1.338 -0.648) 4.737 5.334 ( 4.497 -1.338 0.648) 4.737 5.402 ( -1.216 -0.764 -0.211) 1.452 5.402 ( -1.216 -0.764 0.211) 1.452 5.595 ( 0.058 1.321 -0.190) 1.336 5.595 ( 0.058 1.321 0.190) 1.336 5.655 ( -0.098 -0.986 -0.566) 1.141 5.655 ( -0.098 -0.986 0.566) 1.141 ======================= Grid point 190 (61/63) ======================= q-point: ( 0.00 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 0.000 -0.493 -0.176) 0.523 0.916 ( 0.000 -0.493 0.176) 0.523 0.987 ( 0.000 -2.199 -0.634) 2.288 0.987 ( 0.000 -2.199 0.634) 2.288 1.172 ( 0.000 -3.223 -1.290) 3.472 1.172 ( 0.000 -3.223 1.290) 3.472 1.245 ( 0.000 -1.274 -0.201) 1.290 1.245 ( 0.000 -1.274 0.201) 1.290 1.574 ( 0.000 1.297 -0.259) 1.323 1.574 ( 0.000 1.297 0.259) 1.323 1.583 ( 0.000 -0.207 -0.799) 0.825 1.583 ( 0.000 -0.207 0.799) 0.825 1.832 ( 0.000 4.746 -0.874) 4.825 1.832 ( 0.000 4.746 0.874) 4.825 1.914 ( 0.000 0.364 -1.450) 1.495 1.914 ( 0.000 0.364 1.450) 1.495 1.967 ( 0.000 -0.170 -0.492) 0.520 1.967 ( 0.000 -0.170 0.492) 0.520 2.020 ( 0.000 2.115 -0.343) 2.142 2.020 ( 0.000 2.115 0.343) 2.142 2.191 ( 0.000 -4.388 -0.903) 4.479 2.191 ( 0.000 -4.388 0.903) 4.479 2.349 ( 0.000 0.067 -0.515) 0.519 2.349 ( 0.000 0.067 0.515) 0.519 2.436 ( 0.000 -0.763 -0.315) 0.826 2.436 ( 0.000 -0.763 0.315) 0.826 2.817 ( 0.000 0.961 -1.276) 1.598 2.817 ( 0.000 0.961 1.276) 1.598 2.932 ( 0.000 2.010 -0.559) 2.087 2.932 ( 0.000 2.010 0.559) 2.087 3.031 ( 0.000 3.779 -0.986) 3.905 3.031 ( 0.000 3.779 0.986) 3.905 3.180 ( 0.000 0.873 -0.418) 0.968 3.180 ( 0.000 0.873 0.418) 0.968 3.408 ( 0.000 0.509 -0.609) 0.794 3.408 ( 0.000 0.509 0.609) 0.794 3.909 ( 0.000 -1.380 -0.171) 1.391 3.909 ( 0.000 -1.380 0.171) 1.391 4.101 ( 0.000 1.599 -0.681) 1.738 4.101 ( 0.000 1.599 0.681) 1.738 4.234 ( 0.000 1.109 -0.154) 1.120 4.234 ( 0.000 1.109 0.154) 1.120 4.256 ( 0.000 1.252 -0.075) 1.254 4.256 ( 0.000 1.252 0.075) 1.254 4.307 ( 0.000 0.164 -1.071) 1.084 4.307 ( 0.000 0.164 1.071) 1.084 4.421 ( 0.000 4.972 -1.456) 5.181 4.421 ( 0.000 4.972 1.456) 5.181 4.507 ( 0.000 -2.217 -0.832) 2.368 4.507 ( 0.000 -2.217 0.832) 2.368 4.519 ( 0.000 -0.948 -0.217) 0.973 4.519 ( 0.000 -0.949 0.217) 0.973 4.837 ( 0.000 1.053 -0.469) 1.153 4.837 ( 0.000 1.053 0.469) 1.153 4.870 ( 0.000 -0.331 -0.450) 0.558 4.870 ( 0.000 -0.331 0.450) 0.558 4.955 ( 0.000 1.117 -0.007) 1.117 4.955 ( 0.000 1.117 0.007) 1.117 5.002 ( 0.000 -0.635 -0.408) 0.755 5.002 ( 0.000 -0.635 0.408) 0.755 5.091 ( 0.000 -0.357 -0.306) 0.470 5.091 ( 0.000 -0.357 0.306) 0.470 5.175 ( 0.000 -0.219 -1.306) 1.324 5.175 ( 0.000 -0.219 1.306) 1.324 5.201 ( 0.000 -1.956 -1.061) 2.225 5.201 ( 0.000 -1.956 1.061) 2.225 5.346 ( 0.000 -0.163 -0.144) 0.218 5.346 ( 0.000 -0.163 0.144) 0.218 5.607 ( 0.000 0.419 -0.250) 0.488 5.607 ( 0.000 0.419 0.250) 0.488 5.649 ( 0.000 -0.279 -0.778) 0.826 5.649 ( 0.000 -0.279 0.778) 0.826 ======================= Grid point 192 (62/63) ======================= q-point: ( 0.20 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 1.110 -0.580 -0.310) 1.291 0.927 ( 1.110 -0.580 0.310) 1.291 0.991 ( 0.279 -1.846 -0.605) 1.962 0.991 ( 0.279 -1.846 0.605) 1.962 1.176 ( 0.401 -2.967 -1.072) 3.180 1.176 ( 0.401 -2.967 1.072) 3.180 1.229 ( -1.358 -1.364 -0.114) 1.928 1.229 ( -1.358 -1.364 0.114) 1.928 1.608 ( 2.949 0.216 -1.329) 3.242 1.608 ( 2.949 0.216 1.329) 3.242 1.687 ( 7.405 1.668 -0.463) 7.605 1.687 ( 7.405 1.668 0.463) 7.605 1.831 ( 0.141 3.931 -0.402) 3.954 1.831 ( 0.141 3.931 0.402) 3.954 1.898 ( -1.000 -0.038 -1.345) 1.677 1.898 ( -1.000 -0.038 1.345) 1.677 2.004 ( 0.978 2.098 -0.508) 2.370 2.004 ( 0.978 2.098 0.508) 2.370 2.043 ( 4.794 -1.203 -0.523) 4.971 2.043 ( 4.794 -1.203 0.523) 4.971 2.170 ( -0.120 -2.981 -0.677) 3.060 2.170 ( -0.120 -2.981 0.677) 3.060 2.353 ( 0.542 0.266 -0.477) 0.769 2.353 ( 0.542 0.266 0.477) 0.769 2.429 ( -0.677 -1.272 -0.238) 1.461 2.429 ( -0.677 -1.272 0.238) 1.461 2.828 ( 1.060 1.024 -1.208) 1.905 2.828 ( 1.060 1.024 1.208) 1.905 2.920 ( -1.145 1.875 -0.709) 2.308 2.920 ( -1.145 1.875 0.709) 2.308 3.069 ( 3.308 3.922 -0.676) 5.175 3.069 ( 3.308 3.922 0.676) 5.175 3.113 ( -8.054 -0.095 -0.577) 8.075 3.113 ( -8.054 -0.095 0.577) 8.075 3.328 ( -6.384 1.679 -0.805) 6.650 3.328 ( -6.384 1.679 0.805) 6.650 3.925 ( 1.571 -1.094 -0.192) 1.924 3.925 ( 1.571 -1.094 0.192) 1.924 4.080 ( -2.102 1.297 -0.427) 2.507 4.080 ( -2.102 1.297 0.427) 2.507 4.248 ( 1.294 1.302 -0.274) 1.856 4.248 ( 1.294 1.302 0.274) 1.856 4.264 ( 0.620 2.710 -0.111) 2.783 4.264 ( 0.620 2.710 0.111) 2.783 4.312 ( 0.570 -0.756 -0.813) 1.248 4.312 ( 0.570 -0.756 0.813) 1.248 4.403 ( -1.815 3.009 -1.377) 3.774 4.403 ( -1.815 3.009 1.377) 3.774 4.492 ( -0.333 -1.449 -0.445) 1.552 4.492 ( -0.333 -1.449 0.445) 1.552 4.535 ( 0.534 -0.762 -0.663) 1.143 4.535 ( 0.534 -0.762 0.663) 1.143 4.826 ( -0.960 1.010 -0.558) 1.501 4.826 ( -0.960 1.010 0.558) 1.501 4.849 ( -1.552 -0.453 -0.527) 1.700 4.849 ( -1.552 -0.453 0.527) 1.700 4.962 ( 0.661 1.113 -0.412) 1.358 4.962 ( 0.661 1.113 0.412) 1.358 5.023 ( 0.610 -0.828 -0.192) 1.046 5.023 ( 0.610 -0.828 0.192) 1.046 5.114 ( 2.373 0.037 -0.067) 2.374 5.114 ( 2.373 0.037 0.067) 2.374 5.169 ( -0.451 -0.338 -0.887) 1.051 5.169 ( -0.451 -0.338 0.887) 1.051 5.222 ( 2.794 -1.636 -0.701) 3.313 5.222 ( 2.794 -1.636 0.701) 3.313 5.378 ( 2.317 -0.169 -0.088) 2.324 5.378 ( 2.317 -0.169 0.088) 2.324 5.610 ( 0.300 0.499 -0.315) 0.662 5.610 ( 0.300 0.499 0.315) 0.662 5.646 ( -0.339 -0.357 -0.716) 0.869 5.646 ( -0.339 -0.357 0.716) 0.869 ======================= Grid point 194 (63/63) ======================= q-point: ( 0.40 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 1.705 -0.571 -0.338) 1.829 0.956 ( 1.705 -0.571 0.338) 1.829 0.988 ( -0.794 -1.329 -0.384) 1.595 0.988 ( -0.794 -1.329 0.384) 1.595 1.185 ( 0.487 -2.225 -0.586) 2.352 1.185 ( 0.487 -2.225 0.586) 2.352 1.203 ( -1.100 -1.910 -0.252) 2.219 1.203 ( -1.100 -1.910 0.252) 2.219 1.677 ( 3.624 2.598 -0.758) 4.523 1.677 ( 3.624 2.598 0.758) 4.523 1.740 ( -0.974 3.095 -0.540) 3.289 1.740 ( -0.974 3.095 0.540) 3.289 1.843 ( 0.612 0.427 -0.518) 0.909 1.843 ( 0.612 0.427 0.518) 0.909 1.884 ( -0.490 -1.561 -1.121) 1.984 1.884 ( -0.490 -1.561 1.121) 1.984 2.006 ( 0.036 1.037 -0.285) 1.076 2.006 ( 0.036 1.037 0.285) 1.076 2.056 ( -1.973 -3.512 -0.529) 4.063 2.056 ( -1.973 -3.512 0.529) 4.063 2.350 ( 5.768 3.765 -0.572) 6.912 2.350 ( 5.768 3.765 0.572) 6.912 2.382 ( 3.743 1.072 -0.290) 3.905 2.382 ( 3.743 1.072 0.290) 3.905 2.449 ( 11.153 -4.613 -0.866) 12.100 2.449 ( 11.153 -4.613 0.866) 12.100 2.818 ( -15.645 -0.390 -0.477) 15.657 2.818 ( -15.645 -0.390 0.477) 15.657 2.866 ( -1.990 0.914 -0.656) 2.286 2.866 ( -1.990 0.914 0.656) 2.286 2.894 ( -2.054 1.189 -0.635) 2.457 2.894 ( -2.054 1.189 0.635) 2.457 3.149 ( 4.221 3.721 -1.315) 5.778 3.149 ( 4.221 3.721 1.315) 5.778 3.229 ( -4.141 3.175 -1.128) 5.339 3.229 ( -4.141 3.175 1.128) 5.339 3.968 ( 2.782 -0.281 -0.187) 2.802 3.968 ( 2.782 -0.281 0.187) 2.802 4.028 ( -3.094 0.471 -0.160) 3.133 4.028 ( -3.094 0.471 0.160) 3.133 4.270 ( 0.341 3.591 -0.690) 3.672 4.270 ( 0.341 3.591 0.690) 3.672 4.277 ( 0.940 2.807 -1.194) 3.191 4.277 ( 0.940 2.807 1.194) 3.191 4.328 ( 1.157 -1.471 -0.905) 2.078 4.328 ( 1.157 -1.471 0.905) 2.078 4.362 ( -2.175 0.025 -1.116) 2.445 4.362 ( -2.175 0.025 1.116) 2.445 4.499 ( 0.814 -0.067 -0.303) 0.872 4.499 ( 0.814 -0.067 0.303) 0.872 4.533 ( -0.554 -1.276 -0.550) 1.496 4.533 ( -0.554 -1.276 0.550) 1.496 4.810 ( -0.463 0.874 -0.379) 1.059 4.810 ( -0.463 0.874 0.379) 1.059 4.826 ( -0.685 -0.487 -0.335) 0.905 4.826 ( -0.685 -0.487 0.335) 0.905 4.978 ( 0.808 1.462 -0.546) 1.758 4.978 ( 0.808 1.462 0.546) 1.758 5.016 ( -0.753 -0.905 -0.545) 1.297 5.016 ( -0.753 -0.905 0.545) 1.297 5.147 ( 0.921 -0.373 -0.297) 1.037 5.147 ( 0.921 -0.373 0.297) 1.037 5.160 ( -0.517 -0.623 -0.496) 0.950 5.160 ( -0.517 -0.623 0.496) 0.950 5.315 ( 5.693 -0.569 -0.218) 5.726 5.315 ( 5.693 -0.569 0.218) 5.726 5.392 ( -1.595 -0.266 -0.076) 1.618 5.392 ( -1.595 -0.266 0.076) 1.618 5.617 ( 0.327 0.853 -0.278) 0.954 5.617 ( 0.327 0.853 0.278) 0.954 5.638 ( -0.344 -0.715 -0.416) 0.896 5.638 ( -0.344 -0.715 0.416) 0.896 =================== 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 3/18720 10.0 20.684 64.937 46.220 0.000 0.000 0.000 3/18720 20.0 5.495 16.334 9.132 0.000 0.000 0.000 3/18720 30.0 3.527 8.756 4.420 0.000 0.000 0.000 3/18720 40.0 2.775 6.014 2.856 0.000 0.000 0.000 3/18720 50.0 2.314 4.596 2.102 0.000 0.000 0.000 3/18720 60.0 1.985 3.727 1.663 0.000 0.000 0.000 3/18720 70.0 1.737 3.141 1.379 0.000 0.000 0.000 3/18720 80.0 1.543 2.718 1.179 0.000 0.000 0.000 3/18720 90.0 1.387 2.398 1.031 0.000 0.000 0.000 3/18720 100.0 1.259 2.148 0.917 0.000 0.000 0.000 3/18720 110.0 1.153 1.945 0.827 0.000 0.000 0.000 3/18720 120.0 1.063 1.779 0.753 0.000 0.000 0.000 3/18720 130.0 0.986 1.639 0.692 0.000 0.000 0.000 3/18720 140.0 0.919 1.520 0.640 0.000 0.000 0.000 3/18720 150.0 0.861 1.417 0.595 0.000 0.000 0.000 3/18720 160.0 0.810 1.328 0.557 0.000 0.000 0.000 3/18720 170.0 0.764 1.249 0.523 0.000 0.000 0.000 3/18720 180.0 0.723 1.179 0.493 0.000 0.000 0.000 3/18720 190.0 0.687 1.117 0.466 0.000 0.000 0.000 3/18720 200.0 0.653 1.061 0.442 0.000 0.000 0.000 3/18720 210.0 0.623 1.010 0.421 0.000 0.000 0.000 3/18720 220.0 0.596 0.964 0.402 0.000 0.000 0.000 3/18720 230.0 0.570 0.922 0.384 0.000 0.000 0.000 3/18720 240.0 0.547 0.884 0.368 0.000 0.000 0.000 3/18720 250.0 0.526 0.849 0.353 0.000 0.000 0.000 3/18720 260.0 0.506 0.816 0.339 0.000 0.000 0.000 3/18720 270.0 0.488 0.786 0.326 0.000 0.000 0.000 3/18720 280.0 0.471 0.758 0.315 0.000 0.000 0.000 3/18720 290.0 0.455 0.732 0.304 0.000 0.000 0.000 3/18720 300.0 0.440 0.707 0.293 0.000 0.000 0.000 3/18720 310.0 0.426 0.685 0.284 0.000 0.000 0.000 3/18720 320.0 0.413 0.663 0.275 0.000 0.000 0.000 3/18720 330.0 0.401 0.643 0.267 0.000 0.000 0.000 3/18720 340.0 0.389 0.624 0.259 0.000 0.000 0.000 3/18720 350.0 0.378 0.607 0.251 0.000 0.000 0.000 3/18720 360.0 0.368 0.590 0.244 0.000 0.000 0.000 3/18720 370.0 0.358 0.574 0.238 0.000 0.000 0.000 3/18720 380.0 0.349 0.559 0.231 0.000 0.000 0.000 3/18720 390.0 0.340 0.545 0.225 0.000 0.000 0.000 3/18720 400.0 0.332 0.531 0.220 0.000 0.000 0.000 3/18720 410.0 0.324 0.518 0.214 0.000 0.000 0.000 3/18720 420.0 0.316 0.506 0.209 0.000 0.000 0.000 3/18720 430.0 0.309 0.494 0.204 0.000 0.000 0.000 3/18720 440.0 0.302 0.483 0.200 0.000 0.000 0.000 3/18720 450.0 0.295 0.472 0.195 0.000 0.000 0.000 3/18720 460.0 0.289 0.462 0.191 0.000 0.000 0.000 3/18720 470.0 0.283 0.452 0.187 0.000 0.000 0.000 3/18720 480.0 0.277 0.443 0.183 0.000 0.000 0.000 3/18720 490.0 0.271 0.434 0.179 0.000 0.000 0.000 3/18720 500.0 0.266 0.425 0.176 0.000 0.000 0.000 3/18720 510.0 0.261 0.417 0.172 0.000 0.000 0.000 3/18720 520.0 0.256 0.409 0.169 0.000 0.000 0.000 3/18720 530.0 0.251 0.401 0.166 0.000 0.000 0.000 3/18720 540.0 0.246 0.394 0.163 0.000 0.000 0.000 3/18720 550.0 0.242 0.387 0.160 0.000 0.000 0.000 3/18720 560.0 0.238 0.380 0.157 0.000 0.000 0.000 3/18720 570.0 0.234 0.373 0.154 0.000 0.000 0.000 3/18720 580.0 0.230 0.367 0.151 0.000 0.000 0.000 3/18720 590.0 0.226 0.360 0.149 0.000 0.000 0.000 3/18720 600.0 0.222 0.354 0.146 0.000 0.000 0.000 3/18720 610.0 0.218 0.349 0.144 0.000 0.000 0.000 3/18720 620.0 0.215 0.343 0.142 0.000 0.000 0.000 3/18720 630.0 0.212 0.338 0.139 0.000 0.000 0.000 3/18720 640.0 0.208 0.332 0.137 0.000 0.000 0.000 3/18720 650.0 0.205 0.327 0.135 0.000 0.000 0.000 3/18720 660.0 0.202 0.322 0.133 0.000 0.000 0.000 3/18720 670.0 0.199 0.317 0.131 0.000 0.000 0.000 3/18720 680.0 0.196 0.313 0.129 0.000 0.000 0.000 3/18720 690.0 0.193 0.308 0.127 0.000 0.000 0.000 3/18720 700.0 0.191 0.304 0.125 0.000 0.000 0.000 3/18720 710.0 0.188 0.300 0.124 0.000 0.000 0.000 3/18720 720.0 0.185 0.295 0.122 0.000 0.000 0.000 3/18720 730.0 0.183 0.291 0.120 0.000 0.000 0.000 3/18720 740.0 0.180 0.287 0.119 0.000 0.000 0.000 3/18720 750.0 0.178 0.284 0.117 0.000 0.000 0.000 3/18720 760.0 0.176 0.280 0.116 0.000 0.000 0.000 3/18720 770.0 0.173 0.276 0.114 0.000 0.000 0.000 3/18720 780.0 0.171 0.273 0.113 0.000 0.000 0.000 3/18720 790.0 0.169 0.269 0.111 0.000 0.000 0.000 3/18720 800.0 0.167 0.266 0.110 0.000 0.000 0.000 3/18720 810.0 0.165 0.263 0.108 0.000 0.000 0.000 3/18720 820.0 0.163 0.260 0.107 0.000 0.000 0.000 3/18720 830.0 0.161 0.256 0.106 0.000 0.000 0.000 3/18720 840.0 0.159 0.253 0.105 0.000 0.000 0.000 3/18720 850.0 0.157 0.250 0.103 0.000 0.000 0.000 3/18720 860.0 0.155 0.247 0.102 0.000 0.000 0.000 3/18720 870.0 0.153 0.245 0.101 0.000 0.000 0.000 3/18720 880.0 0.152 0.242 0.100 0.000 0.000 0.000 3/18720 890.0 0.150 0.239 0.099 0.000 0.000 0.000 3/18720 900.0 0.148 0.236 0.098 0.000 0.000 0.000 3/18720 910.0 0.147 0.234 0.097 0.000 0.000 0.000 3/18720 920.0 0.145 0.231 0.095 0.000 0.000 0.000 3/18720 930.0 0.144 0.229 0.094 0.000 0.000 0.000 3/18720 940.0 0.142 0.226 0.093 0.000 0.000 0.000 3/18720 950.0 0.141 0.224 0.092 0.000 0.000 0.000 3/18720 960.0 0.139 0.222 0.092 0.000 0.000 0.000 3/18720 970.0 0.138 0.219 0.091 0.000 0.000 0.000 3/18720 980.0 0.136 0.217 0.090 0.000 0.000 0.000 3/18720 990.0 0.135 0.215 0.089 0.000 0.000 0.000 3/18720 1000.0 0.134 0.213 0.088 0.000 0.000 0.000 3/18720 Thermal conductivity related properties were written into "kappa-m5134.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:09:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|