----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:53:03]------------------------- 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 10.361521910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.981956640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.357887699999999 Atomic positions (fractional): *1 Er 0.01706167128486 0.25000000000000 0.75542386653794 167.259 2 Er 0.51706167128486 0.25000000000000 0.74457613346206 167.259 3 Er 0.48293832871514 0.75000000000000 0.25542386653794 167.259 4 Er 0.98293832871514 0.75000000000000 0.24457613346206 167.259 *5 Cu 0.26100296787962 0.75000000000000 0.78010382327189 63.546 6 Cu 0.23899703212039 0.25000000000000 0.28010382327189 63.546 7 Cu 0.76100296787961 0.75000000000000 0.71989617672811 63.546 8 Cu 0.73899703212039 0.25000000000000 0.21989617672811 63.546 *9 Pb 0.77220752865610 0.25000000000000 0.50676445695774 207.200 10 Pb 0.27220752865610 0.25000000000000 0.99323554304226 207.200 11 Pb 0.72779247134390 0.75000000000000 0.00676445695774 207.200 12 Pb 0.22779247134390 0.75000000000000 0.49323554304226 207.200 *13 Se 0.76401941706132 0.25000000000000 0.82946936035038 78.960 *14 Se 0.95275928702397 0.75000000000000 0.61285696873969 78.960 *15 Se 0.58012642373667 0.75000000000000 0.60530466155639 78.960 16 Se 0.23598058293868 0.75000000000000 0.17053063964962 78.960 17 Se 0.41987357626333 0.25000000000000 0.39469533844361 78.960 18 Se 0.91987357626333 0.25000000000000 0.10530466155639 78.960 19 Se 0.04724071297603 0.25000000000000 0.38714303126031 78.960 20 Se 0.45275928702397 0.75000000000000 0.88714303126031 78.960 21 Se 0.54724071297603 0.25000000000000 0.11285696873969 78.960 22 Se 0.73598058293868 0.75000000000000 0.32946936035038 78.960 23 Se 0.26401941706132 0.25000000000000 0.67053063964962 78.960 24 Se 0.08012642373667 0.75000000000000 0.89469533844361 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.361521910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.981956640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.357887699999999 Atomic positions (fractional): *1 Er 0.01706167128486 0.25000000000000 0.75542386653794 167.259 > 1 2 Er 0.51706167128486 0.25000000000000 0.74457613346206 167.259 > 2 3 Er 0.48293832871514 0.75000000000000 0.25542386653794 167.259 > 3 4 Er 0.98293832871514 0.75000000000000 0.24457613346206 167.259 > 4 *5 Cu 0.26100296787962 0.75000000000000 0.78010382327189 63.546 > 5 6 Cu 0.23899703212039 0.25000000000000 0.28010382327189 63.546 > 6 7 Cu 0.76100296787961 0.75000000000000 0.71989617672811 63.546 > 7 8 Cu 0.73899703212039 0.25000000000000 0.21989617672811 63.546 > 8 *9 Pb 0.77220752865610 0.25000000000000 0.50676445695774 207.200 > 9 10 Pb 0.27220752865610 0.25000000000000 0.99323554304226 207.200 > 10 11 Pb 0.72779247134390 0.75000000000000 0.00676445695774 207.200 > 11 12 Pb 0.22779247134390 0.75000000000000 0.49323554304226 207.200 > 12 *13 Se 0.76401941706132 0.25000000000000 0.82946936035038 78.960 > 13 *14 Se 0.95275928702397 0.75000000000000 0.61285696873969 78.960 > 14 *15 Se 0.58012642373667 0.75000000000000 0.60530466155639 78.960 > 15 16 Se 0.23598058293868 0.75000000000000 0.17053063964962 78.960 > 16 17 Se 0.41987357626333 0.25000000000000 0.39469533844361 78.960 > 17 18 Se 0.91987357626333 0.25000000000000 0.10530466155639 78.960 > 18 19 Se 0.04724071297603 0.25000000000000 0.38714303126031 78.960 > 19 20 Se 0.45275928702397 0.75000000000000 0.88714303126031 78.960 > 20 21 Se 0.54724071297603 0.25000000000000 0.11285696873969 78.960 > 21 22 Se 0.73598058293868 0.75000000000000 0.32946936035038 78.960 > 22 23 Se 0.26401941706132 0.25000000000000 0.67053063964962 78.960 > 23 24 Se 0.08012642373667 0.75000000000000 0.89469533844361 78.960 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 20.723043820000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.945869920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.357887699999999 Atomic positions (fractional): *1 Er 0.00853083564243 0.08333333333333 0.75542386653794 167.259 > 1 2 Er 0.50853083564243 0.08333333333333 0.75542386653794 167.259 > 1 3 Er 0.00853083564243 0.41666666666667 0.75542386653794 167.259 > 1 4 Er 0.50853083564243 0.41666666666667 0.75542386653794 167.259 > 1 5 Er 0.00853083564243 0.75000000000000 0.75542386653794 167.259 > 1 6 Er 0.50853083564243 0.75000000000000 0.75542386653794 167.259 > 1 7 Er 0.25853083564243 0.08333333333333 0.74457613346206 167.259 > 2 8 Er 0.75853083564243 0.08333333333333 0.74457613346206 167.259 > 2 9 Er 0.25853083564243 0.41666666666667 0.74457613346206 167.259 > 2 10 Er 0.75853083564243 0.41666666666667 0.74457613346206 167.259 > 2 11 Er 0.25853083564243 0.75000000000000 0.74457613346206 167.259 > 2 12 Er 0.75853083564243 0.75000000000000 0.74457613346206 167.259 > 2 13 Er 0.24146916435757 0.25000000000000 0.25542386653794 167.259 > 3 14 Er 0.74146916435757 0.25000000000000 0.25542386653794 167.259 > 3 15 Er 0.24146916435757 0.58333333333333 0.25542386653794 167.259 > 3 16 Er 0.74146916435757 0.58333333333333 0.25542386653794 167.259 > 3 17 Er 0.24146916435757 0.91666666666667 0.25542386653794 167.259 > 3 18 Er 0.74146916435757 0.91666666666667 0.25542386653794 167.259 > 3 19 Er 0.49146916435757 0.25000000000000 0.24457613346206 167.259 > 4 20 Er 0.99146916435757 0.25000000000000 0.24457613346206 167.259 > 4 21 Er 0.49146916435757 0.58333333333333 0.24457613346206 167.259 > 4 22 Er 0.99146916435757 0.58333333333333 0.24457613346206 167.259 > 4 23 Er 0.49146916435757 0.91666666666667 0.24457613346206 167.259 > 4 24 Er 0.99146916435757 0.91666666666667 0.24457613346206 167.259 > 4 *25 Cu 0.13050148393981 0.25000000000000 0.78010382327189 63.546 > 5 26 Cu 0.63050148393981 0.25000000000000 0.78010382327189 63.546 > 5 27 Cu 0.13050148393981 0.58333333333333 0.78010382327189 63.546 > 5 28 Cu 0.63050148393981 0.58333333333333 0.78010382327189 63.546 > 5 29 Cu 0.13050148393981 0.91666666666667 0.78010382327189 63.546 > 5 30 Cu 0.63050148393981 0.91666666666667 0.78010382327189 63.546 > 5 31 Cu 0.11949851606019 0.08333333333333 0.28010382327189 63.546 > 6 32 Cu 0.61949851606019 0.08333333333333 0.28010382327189 63.546 > 6 33 Cu 0.11949851606019 0.41666666666667 0.28010382327189 63.546 > 6 34 Cu 0.61949851606019 0.41666666666667 0.28010382327189 63.546 > 6 35 Cu 0.11949851606019 0.75000000000000 0.28010382327189 63.546 > 6 36 Cu 0.61949851606019 0.75000000000000 0.28010382327189 63.546 > 6 37 Cu 0.38050148393981 0.25000000000000 0.71989617672811 63.546 > 7 38 Cu 0.88050148393981 0.25000000000000 0.71989617672811 63.546 > 7 39 Cu 0.38050148393981 0.58333333333333 0.71989617672811 63.546 > 7 40 Cu 0.88050148393981 0.58333333333333 0.71989617672811 63.546 > 7 41 Cu 0.38050148393981 0.91666666666667 0.71989617672811 63.546 > 7 42 Cu 0.88050148393981 0.91666666666667 0.71989617672811 63.546 > 7 43 Cu 0.36949851606019 0.08333333333333 0.21989617672811 63.546 > 8 44 Cu 0.86949851606019 0.08333333333333 0.21989617672811 63.546 > 8 45 Cu 0.36949851606019 0.41666666666667 0.21989617672811 63.546 > 8 46 Cu 0.86949851606019 0.41666666666667 0.21989617672811 63.546 > 8 47 Cu 0.36949851606019 0.75000000000000 0.21989617672811 63.546 > 8 48 Cu 0.86949851606019 0.75000000000000 0.21989617672811 63.546 > 8 *49 Pb 0.38610376432805 0.08333333333333 0.50676445695774 207.200 > 9 50 Pb 0.88610376432805 0.08333333333333 0.50676445695774 207.200 > 9 51 Pb 0.38610376432805 0.41666666666667 0.50676445695774 207.200 > 9 52 Pb 0.88610376432805 0.41666666666667 0.50676445695774 207.200 > 9 53 Pb 0.38610376432805 0.75000000000000 0.50676445695774 207.200 > 9 54 Pb 0.88610376432805 0.75000000000000 0.50676445695774 207.200 > 9 55 Pb 0.13610376432805 0.08333333333333 0.99323554304226 207.200 > 10 56 Pb 0.63610376432805 0.08333333333333 0.99323554304226 207.200 > 10 57 Pb 0.13610376432805 0.41666666666667 0.99323554304226 207.200 > 10 58 Pb 0.63610376432805 0.41666666666667 0.99323554304226 207.200 > 10 59 Pb 0.13610376432805 0.75000000000000 0.99323554304226 207.200 > 10 60 Pb 0.63610376432805 0.75000000000000 0.99323554304226 207.200 > 10 61 Pb 0.36389623567195 0.25000000000000 0.00676445695774 207.200 > 11 62 Pb 0.86389623567195 0.25000000000000 0.00676445695774 207.200 > 11 63 Pb 0.36389623567195 0.58333333333333 0.00676445695774 207.200 > 11 64 Pb 0.86389623567195 0.58333333333333 0.00676445695774 207.200 > 11 65 Pb 0.36389623567195 0.91666666666667 0.00676445695774 207.200 > 11 66 Pb 0.86389623567195 0.91666666666667 0.00676445695774 207.200 > 11 67 Pb 0.11389623567195 0.25000000000000 0.49323554304226 207.200 > 12 68 Pb 0.61389623567195 0.25000000000000 0.49323554304226 207.200 > 12 69 Pb 0.11389623567195 0.58333333333333 0.49323554304226 207.200 > 12 70 Pb 0.61389623567195 0.58333333333333 0.49323554304226 207.200 > 12 71 Pb 0.11389623567195 0.91666666666667 0.49323554304226 207.200 > 12 72 Pb 0.61389623567195 0.91666666666667 0.49323554304226 207.200 > 12 *73 Se 0.38200970853066 0.08333333333333 0.82946936035038 78.960 > 13 74 Se 0.88200970853066 0.08333333333333 0.82946936035038 78.960 > 13 75 Se 0.38200970853066 0.41666666666667 0.82946936035038 78.960 > 13 76 Se 0.88200970853066 0.41666666666667 0.82946936035038 78.960 > 13 77 Se 0.38200970853066 0.75000000000000 0.82946936035038 78.960 > 13 78 Se 0.88200970853066 0.75000000000000 0.82946936035038 78.960 > 13 *79 Se 0.47637964351198 0.25000000000000 0.61285696873969 78.960 > 14 80 Se 0.97637964351198 0.25000000000000 0.61285696873969 78.960 > 14 81 Se 0.47637964351198 0.58333333333333 0.61285696873969 78.960 > 14 82 Se 0.97637964351198 0.58333333333333 0.61285696873969 78.960 > 14 83 Se 0.47637964351198 0.91666666666667 0.61285696873969 78.960 > 14 84 Se 0.97637964351198 0.91666666666667 0.61285696873969 78.960 > 14 *85 Se 0.29006321186833 0.25000000000000 0.60530466155639 78.960 > 15 86 Se 0.79006321186833 0.25000000000000 0.60530466155639 78.960 > 15 87 Se 0.29006321186833 0.58333333333333 0.60530466155639 78.960 > 15 88 Se 0.79006321186833 0.58333333333333 0.60530466155639 78.960 > 15 89 Se 0.29006321186833 0.91666666666667 0.60530466155639 78.960 > 15 90 Se 0.79006321186833 0.91666666666667 0.60530466155639 78.960 > 15 91 Se 0.11799029146934 0.25000000000000 0.17053063964962 78.960 > 16 92 Se 0.61799029146934 0.25000000000000 0.17053063964962 78.960 > 16 93 Se 0.11799029146934 0.58333333333333 0.17053063964962 78.960 > 16 94 Se 0.61799029146934 0.58333333333333 0.17053063964962 78.960 > 16 95 Se 0.11799029146934 0.91666666666667 0.17053063964962 78.960 > 16 96 Se 0.61799029146934 0.91666666666667 0.17053063964962 78.960 > 16 97 Se 0.20993678813167 0.08333333333333 0.39469533844361 78.960 > 17 98 Se 0.70993678813167 0.08333333333333 0.39469533844361 78.960 > 17 99 Se 0.20993678813167 0.41666666666667 0.39469533844361 78.960 > 17 100 Se 0.70993678813167 0.41666666666667 0.39469533844361 78.960 > 17 101 Se 0.20993678813167 0.75000000000000 0.39469533844361 78.960 > 17 102 Se 0.70993678813167 0.75000000000000 0.39469533844361 78.960 > 17 103 Se 0.45993678813167 0.08333333333333 0.10530466155639 78.960 > 18 104 Se 0.95993678813167 0.08333333333333 0.10530466155639 78.960 > 18 105 Se 0.45993678813167 0.41666666666667 0.10530466155639 78.960 > 18 106 Se 0.95993678813167 0.41666666666667 0.10530466155639 78.960 > 18 107 Se 0.45993678813167 0.75000000000000 0.10530466155639 78.960 > 18 108 Se 0.95993678813167 0.75000000000000 0.10530466155639 78.960 > 18 109 Se 0.02362035648802 0.08333333333333 0.38714303126031 78.960 > 19 110 Se 0.52362035648802 0.08333333333333 0.38714303126031 78.960 > 19 111 Se 0.02362035648802 0.41666666666667 0.38714303126031 78.960 > 19 112 Se 0.52362035648802 0.41666666666667 0.38714303126031 78.960 > 19 113 Se 0.02362035648802 0.75000000000000 0.38714303126031 78.960 > 19 114 Se 0.52362035648802 0.75000000000000 0.38714303126031 78.960 > 19 115 Se 0.22637964351198 0.25000000000000 0.88714303126031 78.960 > 20 116 Se 0.72637964351198 0.25000000000000 0.88714303126031 78.960 > 20 117 Se 0.22637964351198 0.58333333333333 0.88714303126031 78.960 > 20 118 Se 0.72637964351198 0.58333333333333 0.88714303126031 78.960 > 20 119 Se 0.22637964351198 0.91666666666667 0.88714303126031 78.960 > 20 120 Se 0.72637964351198 0.91666666666667 0.88714303126031 78.960 > 20 121 Se 0.27362035648802 0.08333333333333 0.11285696873969 78.960 > 21 122 Se 0.77362035648802 0.08333333333333 0.11285696873969 78.960 > 21 123 Se 0.27362035648802 0.41666666666667 0.11285696873969 78.960 > 21 124 Se 0.77362035648802 0.41666666666667 0.11285696873969 78.960 > 21 125 Se 0.27362035648802 0.75000000000000 0.11285696873969 78.960 > 21 126 Se 0.77362035648802 0.75000000000000 0.11285696873969 78.960 > 21 127 Se 0.36799029146934 0.25000000000000 0.32946936035038 78.960 > 22 128 Se 0.86799029146934 0.25000000000000 0.32946936035038 78.960 > 22 129 Se 0.36799029146934 0.58333333333333 0.32946936035038 78.960 > 22 130 Se 0.86799029146934 0.58333333333333 0.32946936035038 78.960 > 22 131 Se 0.36799029146934 0.91666666666667 0.32946936035038 78.960 > 22 132 Se 0.86799029146934 0.91666666666667 0.32946936035038 78.960 > 22 133 Se 0.13200970853066 0.08333333333333 0.67053063964962 78.960 > 23 134 Se 0.63200970853066 0.08333333333333 0.67053063964962 78.960 > 23 135 Se 0.13200970853066 0.41666666666667 0.67053063964962 78.960 > 23 136 Se 0.63200970853066 0.41666666666667 0.67053063964962 78.960 > 23 137 Se 0.13200970853066 0.75000000000000 0.67053063964962 78.960 > 23 138 Se 0.63200970853066 0.75000000000000 0.67053063964962 78.960 > 23 139 Se 0.04006321186833 0.25000000000000 0.89469533844361 78.960 > 24 140 Se 0.54006321186833 0.25000000000000 0.89469533844361 78.960 > 24 141 Se 0.04006321186833 0.58333333333333 0.89469533844361 78.960 > 24 142 Se 0.54006321186833 0.58333333333333 0.89469533844361 78.960 > 24 143 Se 0.04006321186833 0.91666666666667 0.89469533844361 78.960 > 24 144 Se 0.54006321186833 0.91666666666667 0.89469533844361 78.960 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.5378131 0.0000000 0.0000000 0.0000000 13.8604333 0.0000000 0.0000000 0.0000000 12.0567994 -------------------------- Born effective charges -------------------------- 1 Er 4.9271960 0.0000000 1.0137556 0.0000000 4.5066316 0.0000000 -0.4116265 0.0000000 3.3580751 2 Er 4.9271960 0.0000000 -1.0137556 0.0000000 4.5066316 0.0000000 0.4116265 0.0000000 3.3580751 3 Er 4.9271960 0.0000000 -1.0137556 0.0000000 4.5066316 0.0000000 0.4116265 0.0000000 3.3580751 4 Er 4.9271960 0.0000000 1.0137556 0.0000000 4.5066316 0.0000000 -0.4116265 0.0000000 3.3580751 5 Cu 0.3799827 0.0000000 0.1909455 0.0000000 0.8827159 0.0000000 0.1446825 0.0000000 0.7779919 6 Cu 0.3799827 0.0000000 -0.1909455 0.0000000 0.8827159 0.0000000 -0.1446825 0.0000000 0.7779919 7 Cu 0.3799827 0.0000000 -0.1909455 0.0000000 0.8827159 0.0000000 -0.1446825 0.0000000 0.7779919 8 Cu 0.3799827 0.0000000 0.1909455 0.0000000 0.8827159 0.0000000 0.1446825 0.0000000 0.7779919 9 Pb 3.9708222 0.0000000 -0.0301834 0.0000000 5.0394671 0.0000000 -0.3972079 0.0000000 4.6516345 10 Pb 3.9708222 0.0000000 0.0301834 0.0000000 5.0394671 0.0000000 0.3972079 0.0000000 4.6516345 11 Pb 3.9708222 0.0000000 0.0301834 0.0000000 5.0394671 0.0000000 0.3972079 0.0000000 4.6516345 12 Pb 3.9708222 0.0000000 -0.0301834 0.0000000 5.0394671 0.0000000 -0.3972079 0.0000000 4.6516345 13 Se -3.7279154 0.0000000 0.4487116 0.0000000 -2.7524953 0.0000000 0.2054336 0.0000000 -2.8257646 14 Se -3.0030342 0.0000000 -0.7005888 0.0000000 -3.8416375 0.0000000 -0.0937676 0.0000000 -3.1355020 15 Se -2.5470513 0.0000000 1.3668051 0.0000000 -3.8346817 0.0000000 0.6744717 0.0000000 -2.8264349 16 Se -3.7279154 0.0000000 0.4487116 0.0000000 -2.7524953 0.0000000 0.2054336 0.0000000 -2.8257646 17 Se -2.5470513 0.0000000 1.3668051 0.0000000 -3.8346817 0.0000000 0.6744717 0.0000000 -2.8264349 18 Se -2.5470513 0.0000000 -1.3668051 0.0000000 -3.8346817 0.0000000 -0.6744717 0.0000000 -2.8264349 19 Se -3.0030342 0.0000000 -0.7005888 0.0000000 -3.8416375 0.0000000 -0.0937676 0.0000000 -3.1355020 20 Se -3.0030342 0.0000000 0.7005888 0.0000000 -3.8416375 0.0000000 0.0937676 0.0000000 -3.1355020 21 Se -3.0030342 0.0000000 0.7005888 0.0000000 -3.8416375 0.0000000 0.0937676 0.0000000 -3.1355020 22 Se -3.7279154 0.0000000 -0.4487116 0.0000000 -2.7524953 0.0000000 -0.2054336 0.0000000 -2.8257646 23 Se -3.7279154 0.0000000 -0.4487116 0.0000000 -2.7524953 0.0000000 -0.2054336 0.0000000 -2.8257646 24 Se -2.5470513 0.0000000 -1.3668051 0.0000000 -3.8346817 0.0000000 -0.6744717 0.0000000 -2.8264349 ---------------------------------------------------------------------------- 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) 68 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 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, 20), data: (576, 32) @ (32, 20) |-- (76, 68), 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: 0.749 Solver_block: 200 / 400 - Time: 0.707 Solver_block: 300 / 400 - Time: 0.714 Solver_block: 400 / 400 - Time: 0.709 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.955 --------------------------------- 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) 68 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 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, 20), data: (576, 32) @ (32, 20) |-- (76, 68), 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 17:53:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:53:28]------------------------- 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 10.361521910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.981956640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.357887699999999 Atomic positions (fractional): 1 Er 0.01706167128486 0.25000000000000 0.75542386653794 167.259 2 Er 0.51706167128486 0.25000000000000 0.74457613346206 167.259 3 Er 0.48293832871514 0.75000000000000 0.25542386653794 167.259 4 Er 0.98293832871514 0.75000000000000 0.24457613346206 167.259 5 Cu 0.26100296787962 0.75000000000000 0.78010382327189 63.546 6 Cu 0.23899703212039 0.25000000000000 0.28010382327189 63.546 7 Cu 0.76100296787961 0.75000000000000 0.71989617672811 63.546 8 Cu 0.73899703212039 0.25000000000000 0.21989617672811 63.546 9 Pb 0.77220752865610 0.25000000000000 0.50676445695774 207.200 10 Pb 0.27220752865610 0.25000000000000 0.99323554304226 207.200 11 Pb 0.72779247134390 0.75000000000000 0.00676445695774 207.200 12 Pb 0.22779247134390 0.75000000000000 0.49323554304226 207.200 13 Se 0.76401941706132 0.25000000000000 0.82946936035038 78.960 14 Se 0.95275928702397 0.75000000000000 0.61285696873969 78.960 15 Se 0.58012642373667 0.75000000000000 0.60530466155639 78.960 16 Se 0.23598058293868 0.75000000000000 0.17053063964962 78.960 17 Se 0.41987357626333 0.25000000000000 0.39469533844361 78.960 18 Se 0.91987357626333 0.25000000000000 0.10530466155639 78.960 19 Se 0.04724071297603 0.25000000000000 0.38714303126031 78.960 20 Se 0.45275928702397 0.75000000000000 0.88714303126031 78.960 21 Se 0.54724071297603 0.25000000000000 0.11285696873969 78.960 22 Se 0.73598058293868 0.75000000000000 0.32946936035038 78.960 23 Se 0.26401941706132 0.25000000000000 0.67053063964962 78.960 24 Se 0.08012642373667 0.75000000000000 0.89469533844361 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 20.723043820000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.945869920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.357887699999999 Atomic positions (fractional): 1 Er 0.00853083564243 0.08333333333333 0.75542386653794 167.259 > 1 2 Er 0.50853083564243 0.08333333333333 0.75542386653794 167.259 > 1 3 Er 0.00853083564243 0.41666666666667 0.75542386653794 167.259 > 1 4 Er 0.50853083564243 0.41666666666667 0.75542386653794 167.259 > 1 5 Er 0.00853083564243 0.75000000000000 0.75542386653794 167.259 > 1 6 Er 0.50853083564243 0.75000000000000 0.75542386653794 167.259 > 1 7 Er 0.25853083564243 0.08333333333333 0.74457613346206 167.259 > 7 8 Er 0.75853083564243 0.08333333333333 0.74457613346206 167.259 > 7 9 Er 0.25853083564243 0.41666666666667 0.74457613346206 167.259 > 7 10 Er 0.75853083564243 0.41666666666667 0.74457613346206 167.259 > 7 11 Er 0.25853083564243 0.75000000000000 0.74457613346206 167.259 > 7 12 Er 0.75853083564243 0.75000000000000 0.74457613346206 167.259 > 7 13 Er 0.24146916435757 0.25000000000000 0.25542386653794 167.259 > 13 14 Er 0.74146916435757 0.25000000000000 0.25542386653794 167.259 > 13 15 Er 0.24146916435757 0.58333333333333 0.25542386653794 167.259 > 13 16 Er 0.74146916435757 0.58333333333333 0.25542386653794 167.259 > 13 17 Er 0.24146916435757 0.91666666666667 0.25542386653794 167.259 > 13 18 Er 0.74146916435757 0.91666666666667 0.25542386653794 167.259 > 13 19 Er 0.49146916435757 0.25000000000000 0.24457613346206 167.259 > 19 20 Er 0.99146916435757 0.25000000000000 0.24457613346206 167.259 > 19 21 Er 0.49146916435757 0.58333333333333 0.24457613346206 167.259 > 19 22 Er 0.99146916435757 0.58333333333333 0.24457613346206 167.259 > 19 23 Er 0.49146916435757 0.91666666666667 0.24457613346206 167.259 > 19 24 Er 0.99146916435757 0.91666666666667 0.24457613346206 167.259 > 19 25 Cu 0.13050148393981 0.25000000000000 0.78010382327189 63.546 > 25 26 Cu 0.63050148393981 0.25000000000000 0.78010382327189 63.546 > 25 27 Cu 0.13050148393981 0.58333333333333 0.78010382327189 63.546 > 25 28 Cu 0.63050148393981 0.58333333333333 0.78010382327189 63.546 > 25 29 Cu 0.13050148393981 0.91666666666667 0.78010382327189 63.546 > 25 30 Cu 0.63050148393981 0.91666666666667 0.78010382327189 63.546 > 25 31 Cu 0.11949851606019 0.08333333333333 0.28010382327189 63.546 > 31 32 Cu 0.61949851606019 0.08333333333333 0.28010382327189 63.546 > 31 33 Cu 0.11949851606019 0.41666666666667 0.28010382327189 63.546 > 31 34 Cu 0.61949851606019 0.41666666666667 0.28010382327189 63.546 > 31 35 Cu 0.11949851606019 0.75000000000000 0.28010382327189 63.546 > 31 36 Cu 0.61949851606019 0.75000000000000 0.28010382327189 63.546 > 31 37 Cu 0.38050148393981 0.25000000000000 0.71989617672811 63.546 > 37 38 Cu 0.88050148393981 0.25000000000000 0.71989617672811 63.546 > 37 39 Cu 0.38050148393981 0.58333333333333 0.71989617672811 63.546 > 37 40 Cu 0.88050148393981 0.58333333333333 0.71989617672811 63.546 > 37 41 Cu 0.38050148393981 0.91666666666667 0.71989617672811 63.546 > 37 42 Cu 0.88050148393981 0.91666666666667 0.71989617672811 63.546 > 37 43 Cu 0.36949851606019 0.08333333333333 0.21989617672811 63.546 > 43 44 Cu 0.86949851606019 0.08333333333333 0.21989617672811 63.546 > 43 45 Cu 0.36949851606019 0.41666666666667 0.21989617672811 63.546 > 43 46 Cu 0.86949851606019 0.41666666666667 0.21989617672811 63.546 > 43 47 Cu 0.36949851606019 0.75000000000000 0.21989617672811 63.546 > 43 48 Cu 0.86949851606019 0.75000000000000 0.21989617672811 63.546 > 43 49 Pb 0.38610376432805 0.08333333333333 0.50676445695774 207.200 > 49 50 Pb 0.88610376432805 0.08333333333333 0.50676445695774 207.200 > 49 51 Pb 0.38610376432805 0.41666666666667 0.50676445695774 207.200 > 49 52 Pb 0.88610376432805 0.41666666666667 0.50676445695774 207.200 > 49 53 Pb 0.38610376432805 0.75000000000000 0.50676445695774 207.200 > 49 54 Pb 0.88610376432805 0.75000000000000 0.50676445695774 207.200 > 49 55 Pb 0.13610376432805 0.08333333333333 0.99323554304226 207.200 > 55 56 Pb 0.63610376432805 0.08333333333333 0.99323554304226 207.200 > 55 57 Pb 0.13610376432805 0.41666666666667 0.99323554304226 207.200 > 55 58 Pb 0.63610376432805 0.41666666666667 0.99323554304226 207.200 > 55 59 Pb 0.13610376432805 0.75000000000000 0.99323554304226 207.200 > 55 60 Pb 0.63610376432805 0.75000000000000 0.99323554304226 207.200 > 55 61 Pb 0.36389623567195 0.25000000000000 0.00676445695774 207.200 > 61 62 Pb 0.86389623567195 0.25000000000000 0.00676445695774 207.200 > 61 63 Pb 0.36389623567195 0.58333333333333 0.00676445695774 207.200 > 61 64 Pb 0.86389623567195 0.58333333333333 0.00676445695774 207.200 > 61 65 Pb 0.36389623567195 0.91666666666667 0.00676445695774 207.200 > 61 66 Pb 0.86389623567195 0.91666666666667 0.00676445695774 207.200 > 61 67 Pb 0.11389623567195 0.25000000000000 0.49323554304226 207.200 > 67 68 Pb 0.61389623567195 0.25000000000000 0.49323554304226 207.200 > 67 69 Pb 0.11389623567195 0.58333333333333 0.49323554304226 207.200 > 67 70 Pb 0.61389623567195 0.58333333333333 0.49323554304226 207.200 > 67 71 Pb 0.11389623567195 0.91666666666667 0.49323554304226 207.200 > 67 72 Pb 0.61389623567195 0.91666666666667 0.49323554304226 207.200 > 67 73 Se 0.38200970853066 0.08333333333333 0.82946936035038 78.960 > 73 74 Se 0.88200970853066 0.08333333333333 0.82946936035038 78.960 > 73 75 Se 0.38200970853066 0.41666666666667 0.82946936035038 78.960 > 73 76 Se 0.88200970853066 0.41666666666667 0.82946936035038 78.960 > 73 77 Se 0.38200970853066 0.75000000000000 0.82946936035038 78.960 > 73 78 Se 0.88200970853066 0.75000000000000 0.82946936035038 78.960 > 73 79 Se 0.47637964351198 0.25000000000000 0.61285696873969 78.960 > 79 80 Se 0.97637964351198 0.25000000000000 0.61285696873969 78.960 > 79 81 Se 0.47637964351198 0.58333333333333 0.61285696873969 78.960 > 79 82 Se 0.97637964351198 0.58333333333333 0.61285696873969 78.960 > 79 83 Se 0.47637964351198 0.91666666666667 0.61285696873969 78.960 > 79 84 Se 0.97637964351198 0.91666666666667 0.61285696873969 78.960 > 79 85 Se 0.29006321186833 0.25000000000000 0.60530466155639 78.960 > 85 86 Se 0.79006321186833 0.25000000000000 0.60530466155639 78.960 > 85 87 Se 0.29006321186833 0.58333333333333 0.60530466155639 78.960 > 85 88 Se 0.79006321186833 0.58333333333333 0.60530466155639 78.960 > 85 89 Se 0.29006321186833 0.91666666666667 0.60530466155639 78.960 > 85 90 Se 0.79006321186833 0.91666666666667 0.60530466155639 78.960 > 85 91 Se 0.11799029146934 0.25000000000000 0.17053063964962 78.960 > 91 92 Se 0.61799029146934 0.25000000000000 0.17053063964962 78.960 > 91 93 Se 0.11799029146934 0.58333333333333 0.17053063964962 78.960 > 91 94 Se 0.61799029146934 0.58333333333333 0.17053063964962 78.960 > 91 95 Se 0.11799029146934 0.91666666666667 0.17053063964962 78.960 > 91 96 Se 0.61799029146934 0.91666666666667 0.17053063964962 78.960 > 91 97 Se 0.20993678813167 0.08333333333333 0.39469533844361 78.960 > 97 98 Se 0.70993678813167 0.08333333333333 0.39469533844361 78.960 > 97 99 Se 0.20993678813167 0.41666666666667 0.39469533844361 78.960 > 97 100 Se 0.70993678813167 0.41666666666667 0.39469533844361 78.960 > 97 101 Se 0.20993678813167 0.75000000000000 0.39469533844361 78.960 > 97 102 Se 0.70993678813167 0.75000000000000 0.39469533844361 78.960 > 97 103 Se 0.45993678813167 0.08333333333333 0.10530466155639 78.960 > 103 104 Se 0.95993678813167 0.08333333333333 0.10530466155639 78.960 > 103 105 Se 0.45993678813167 0.41666666666667 0.10530466155639 78.960 > 103 106 Se 0.95993678813167 0.41666666666667 0.10530466155639 78.960 > 103 107 Se 0.45993678813167 0.75000000000000 0.10530466155639 78.960 > 103 108 Se 0.95993678813167 0.75000000000000 0.10530466155639 78.960 > 103 109 Se 0.02362035648802 0.08333333333333 0.38714303126031 78.960 > 109 110 Se 0.52362035648802 0.08333333333333 0.38714303126031 78.960 > 109 111 Se 0.02362035648802 0.41666666666667 0.38714303126031 78.960 > 109 112 Se 0.52362035648802 0.41666666666667 0.38714303126031 78.960 > 109 113 Se 0.02362035648802 0.75000000000000 0.38714303126031 78.960 > 109 114 Se 0.52362035648802 0.75000000000000 0.38714303126031 78.960 > 109 115 Se 0.22637964351198 0.25000000000000 0.88714303126031 78.960 > 115 116 Se 0.72637964351198 0.25000000000000 0.88714303126031 78.960 > 115 117 Se 0.22637964351198 0.58333333333333 0.88714303126031 78.960 > 115 118 Se 0.72637964351198 0.58333333333333 0.88714303126031 78.960 > 115 119 Se 0.22637964351198 0.91666666666667 0.88714303126031 78.960 > 115 120 Se 0.72637964351198 0.91666666666667 0.88714303126031 78.960 > 115 121 Se 0.27362035648802 0.08333333333333 0.11285696873969 78.960 > 121 122 Se 0.77362035648802 0.08333333333333 0.11285696873969 78.960 > 121 123 Se 0.27362035648802 0.41666666666667 0.11285696873969 78.960 > 121 124 Se 0.77362035648802 0.41666666666667 0.11285696873969 78.960 > 121 125 Se 0.27362035648802 0.75000000000000 0.11285696873969 78.960 > 121 126 Se 0.77362035648802 0.75000000000000 0.11285696873969 78.960 > 121 127 Se 0.36799029146934 0.25000000000000 0.32946936035038 78.960 > 127 128 Se 0.86799029146934 0.25000000000000 0.32946936035038 78.960 > 127 129 Se 0.36799029146934 0.58333333333333 0.32946936035038 78.960 > 127 130 Se 0.86799029146934 0.58333333333333 0.32946936035038 78.960 > 127 131 Se 0.36799029146934 0.91666666666667 0.32946936035038 78.960 > 127 132 Se 0.86799029146934 0.91666666666667 0.32946936035038 78.960 > 127 133 Se 0.13200970853066 0.08333333333333 0.67053063964962 78.960 > 133 134 Se 0.63200970853066 0.08333333333333 0.67053063964962 78.960 > 133 135 Se 0.13200970853066 0.41666666666667 0.67053063964962 78.960 > 133 136 Se 0.63200970853066 0.41666666666667 0.67053063964962 78.960 > 133 137 Se 0.13200970853066 0.75000000000000 0.67053063964962 78.960 > 133 138 Se 0.63200970853066 0.75000000000000 0.67053063964962 78.960 > 133 139 Se 0.04006321186833 0.25000000000000 0.89469533844361 78.960 > 139 140 Se 0.54006321186833 0.25000000000000 0.89469533844361 78.960 > 139 141 Se 0.04006321186833 0.58333333333333 0.89469533844361 78.960 > 139 142 Se 0.54006321186833 0.58333333333333 0.89469533844361 78.960 > 139 143 Se 0.04006321186833 0.91666666666667 0.89469533844361 78.960 > 139 144 Se 0.54006321186833 0.91666666666667 0.89469533844361 78.960 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.5378131 0.0000000 0.0000000 0.0000000 13.8604333 0.0000000 0.0000000 0.0000000 12.0567994 -------------------------- Born effective charges -------------------------- 1 Er 4.9271960 0.0000000 1.0137556 0.0000000 4.5066316 0.0000000 -0.4116265 0.0000000 3.3580751 2 Er 4.9271960 0.0000000 -1.0137556 0.0000000 4.5066316 0.0000000 0.4116265 0.0000000 3.3580751 3 Er 4.9271960 0.0000000 -1.0137556 0.0000000 4.5066316 0.0000000 0.4116265 0.0000000 3.3580751 4 Er 4.9271960 0.0000000 1.0137556 0.0000000 4.5066316 0.0000000 -0.4116265 0.0000000 3.3580751 5 Cu 0.3799827 0.0000000 0.1909455 0.0000000 0.8827159 0.0000000 0.1446825 0.0000000 0.7779919 6 Cu 0.3799827 0.0000000 -0.1909455 0.0000000 0.8827159 0.0000000 -0.1446825 0.0000000 0.7779919 7 Cu 0.3799827 0.0000000 -0.1909455 0.0000000 0.8827159 0.0000000 -0.1446825 0.0000000 0.7779919 8 Cu 0.3799827 0.0000000 0.1909455 0.0000000 0.8827159 0.0000000 0.1446825 0.0000000 0.7779919 9 Pb 3.9708222 0.0000000 -0.0301834 0.0000000 5.0394671 0.0000000 -0.3972079 0.0000000 4.6516345 10 Pb 3.9708222 0.0000000 0.0301834 0.0000000 5.0394671 0.0000000 0.3972079 0.0000000 4.6516345 11 Pb 3.9708222 0.0000000 0.0301834 0.0000000 5.0394671 0.0000000 0.3972079 0.0000000 4.6516345 12 Pb 3.9708222 0.0000000 -0.0301834 0.0000000 5.0394671 0.0000000 -0.3972079 0.0000000 4.6516345 13 Se -3.7279154 0.0000000 0.4487116 0.0000000 -2.7524953 0.0000000 0.2054336 0.0000000 -2.8257646 14 Se -3.0030342 0.0000000 -0.7005888 0.0000000 -3.8416375 0.0000000 -0.0937676 0.0000000 -3.1355020 15 Se -2.5470513 0.0000000 1.3668051 0.0000000 -3.8346817 0.0000000 0.6744717 0.0000000 -2.8264349 16 Se -3.7279154 0.0000000 0.4487116 0.0000000 -2.7524953 0.0000000 0.2054336 0.0000000 -2.8257646 17 Se -2.5470513 0.0000000 1.3668051 0.0000000 -3.8346817 0.0000000 0.6744717 0.0000000 -2.8264349 18 Se -2.5470513 0.0000000 -1.3668051 0.0000000 -3.8346817 0.0000000 -0.6744717 0.0000000 -2.8264349 19 Se -3.0030342 0.0000000 -0.7005888 0.0000000 -3.8416375 0.0000000 -0.0937676 0.0000000 -3.1355020 20 Se -3.0030342 0.0000000 0.7005888 0.0000000 -3.8416375 0.0000000 0.0937676 0.0000000 -3.1355020 21 Se -3.0030342 0.0000000 0.7005888 0.0000000 -3.8416375 0.0000000 0.0937676 0.0000000 -3.1355020 22 Se -3.7279154 0.0000000 -0.4487116 0.0000000 -2.7524953 0.0000000 -0.2054336 0.0000000 -2.8257646 23 Se -3.7279154 0.0000000 -0.4487116 0.0000000 -2.7524953 0.0000000 -0.2054336 0.0000000 -2.8257646 24 Se -2.5470513 0.0000000 -1.3668051 0.0000000 -3.8346817 0.0000000 -0.6744717 0.0000000 -2.8264349 ---------------------------------------------------------------------------- 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[ 85, 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 17:53:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:54:00]------------------------- 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 10.361521910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.981956640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.357887699999999 Atomic positions (fractional): 1 Er 0.01706167128486 0.25000000000000 0.75542386653794 167.259 2 Er 0.51706167128486 0.25000000000000 0.74457613346206 167.259 3 Er 0.48293832871514 0.75000000000000 0.25542386653794 167.259 4 Er 0.98293832871514 0.75000000000000 0.24457613346206 167.259 5 Cu 0.26100296787962 0.75000000000000 0.78010382327189 63.546 6 Cu 0.23899703212039 0.25000000000000 0.28010382327189 63.546 7 Cu 0.76100296787961 0.75000000000000 0.71989617672811 63.546 8 Cu 0.73899703212039 0.25000000000000 0.21989617672811 63.546 9 Pb 0.77220752865610 0.25000000000000 0.50676445695774 207.200 10 Pb 0.27220752865610 0.25000000000000 0.99323554304226 207.200 11 Pb 0.72779247134390 0.75000000000000 0.00676445695774 207.200 12 Pb 0.22779247134390 0.75000000000000 0.49323554304226 207.200 13 Se 0.76401941706132 0.25000000000000 0.82946936035038 78.960 14 Se 0.95275928702397 0.75000000000000 0.61285696873969 78.960 15 Se 0.58012642373667 0.75000000000000 0.60530466155639 78.960 16 Se 0.23598058293868 0.75000000000000 0.17053063964962 78.960 17 Se 0.41987357626333 0.25000000000000 0.39469533844361 78.960 18 Se 0.91987357626333 0.25000000000000 0.10530466155639 78.960 19 Se 0.04724071297603 0.25000000000000 0.38714303126031 78.960 20 Se 0.45275928702397 0.75000000000000 0.88714303126031 78.960 21 Se 0.54724071297603 0.25000000000000 0.11285696873969 78.960 22 Se 0.73598058293868 0.75000000000000 0.32946936035038 78.960 23 Se 0.26401941706132 0.25000000000000 0.67053063964962 78.960 24 Se 0.08012642373667 0.75000000000000 0.89469533844361 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 20.723043820000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.945869920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.357887699999999 Atomic positions (fractional): 1 Er 0.00853083564243 0.08333333333333 0.75542386653794 167.259 > 1 2 Er 0.50853083564243 0.08333333333333 0.75542386653794 167.259 > 1 3 Er 0.00853083564243 0.41666666666667 0.75542386653794 167.259 > 1 4 Er 0.50853083564243 0.41666666666667 0.75542386653794 167.259 > 1 5 Er 0.00853083564243 0.75000000000000 0.75542386653794 167.259 > 1 6 Er 0.50853083564243 0.75000000000000 0.75542386653794 167.259 > 1 7 Er 0.25853083564243 0.08333333333333 0.74457613346206 167.259 > 7 8 Er 0.75853083564243 0.08333333333333 0.74457613346206 167.259 > 7 9 Er 0.25853083564243 0.41666666666667 0.74457613346206 167.259 > 7 10 Er 0.75853083564243 0.41666666666667 0.74457613346206 167.259 > 7 11 Er 0.25853083564243 0.75000000000000 0.74457613346206 167.259 > 7 12 Er 0.75853083564243 0.75000000000000 0.74457613346206 167.259 > 7 13 Er 0.24146916435757 0.25000000000000 0.25542386653794 167.259 > 13 14 Er 0.74146916435757 0.25000000000000 0.25542386653794 167.259 > 13 15 Er 0.24146916435757 0.58333333333333 0.25542386653794 167.259 > 13 16 Er 0.74146916435757 0.58333333333333 0.25542386653794 167.259 > 13 17 Er 0.24146916435757 0.91666666666667 0.25542386653794 167.259 > 13 18 Er 0.74146916435757 0.91666666666667 0.25542386653794 167.259 > 13 19 Er 0.49146916435757 0.25000000000000 0.24457613346206 167.259 > 19 20 Er 0.99146916435757 0.25000000000000 0.24457613346206 167.259 > 19 21 Er 0.49146916435757 0.58333333333333 0.24457613346206 167.259 > 19 22 Er 0.99146916435757 0.58333333333333 0.24457613346206 167.259 > 19 23 Er 0.49146916435757 0.91666666666667 0.24457613346206 167.259 > 19 24 Er 0.99146916435757 0.91666666666667 0.24457613346206 167.259 > 19 25 Cu 0.13050148393981 0.25000000000000 0.78010382327189 63.546 > 25 26 Cu 0.63050148393981 0.25000000000000 0.78010382327189 63.546 > 25 27 Cu 0.13050148393981 0.58333333333333 0.78010382327189 63.546 > 25 28 Cu 0.63050148393981 0.58333333333333 0.78010382327189 63.546 > 25 29 Cu 0.13050148393981 0.91666666666667 0.78010382327189 63.546 > 25 30 Cu 0.63050148393981 0.91666666666667 0.78010382327189 63.546 > 25 31 Cu 0.11949851606019 0.08333333333333 0.28010382327189 63.546 > 31 32 Cu 0.61949851606019 0.08333333333333 0.28010382327189 63.546 > 31 33 Cu 0.11949851606019 0.41666666666667 0.28010382327189 63.546 > 31 34 Cu 0.61949851606019 0.41666666666667 0.28010382327189 63.546 > 31 35 Cu 0.11949851606019 0.75000000000000 0.28010382327189 63.546 > 31 36 Cu 0.61949851606019 0.75000000000000 0.28010382327189 63.546 > 31 37 Cu 0.38050148393981 0.25000000000000 0.71989617672811 63.546 > 37 38 Cu 0.88050148393981 0.25000000000000 0.71989617672811 63.546 > 37 39 Cu 0.38050148393981 0.58333333333333 0.71989617672811 63.546 > 37 40 Cu 0.88050148393981 0.58333333333333 0.71989617672811 63.546 > 37 41 Cu 0.38050148393981 0.91666666666667 0.71989617672811 63.546 > 37 42 Cu 0.88050148393981 0.91666666666667 0.71989617672811 63.546 > 37 43 Cu 0.36949851606019 0.08333333333333 0.21989617672811 63.546 > 43 44 Cu 0.86949851606019 0.08333333333333 0.21989617672811 63.546 > 43 45 Cu 0.36949851606019 0.41666666666667 0.21989617672811 63.546 > 43 46 Cu 0.86949851606019 0.41666666666667 0.21989617672811 63.546 > 43 47 Cu 0.36949851606019 0.75000000000000 0.21989617672811 63.546 > 43 48 Cu 0.86949851606019 0.75000000000000 0.21989617672811 63.546 > 43 49 Pb 0.38610376432805 0.08333333333333 0.50676445695774 207.200 > 49 50 Pb 0.88610376432805 0.08333333333333 0.50676445695774 207.200 > 49 51 Pb 0.38610376432805 0.41666666666667 0.50676445695774 207.200 > 49 52 Pb 0.88610376432805 0.41666666666667 0.50676445695774 207.200 > 49 53 Pb 0.38610376432805 0.75000000000000 0.50676445695774 207.200 > 49 54 Pb 0.88610376432805 0.75000000000000 0.50676445695774 207.200 > 49 55 Pb 0.13610376432805 0.08333333333333 0.99323554304226 207.200 > 55 56 Pb 0.63610376432805 0.08333333333333 0.99323554304226 207.200 > 55 57 Pb 0.13610376432805 0.41666666666667 0.99323554304226 207.200 > 55 58 Pb 0.63610376432805 0.41666666666667 0.99323554304226 207.200 > 55 59 Pb 0.13610376432805 0.75000000000000 0.99323554304226 207.200 > 55 60 Pb 0.63610376432805 0.75000000000000 0.99323554304226 207.200 > 55 61 Pb 0.36389623567195 0.25000000000000 0.00676445695774 207.200 > 61 62 Pb 0.86389623567195 0.25000000000000 0.00676445695774 207.200 > 61 63 Pb 0.36389623567195 0.58333333333333 0.00676445695774 207.200 > 61 64 Pb 0.86389623567195 0.58333333333333 0.00676445695774 207.200 > 61 65 Pb 0.36389623567195 0.91666666666667 0.00676445695774 207.200 > 61 66 Pb 0.86389623567195 0.91666666666667 0.00676445695774 207.200 > 61 67 Pb 0.11389623567195 0.25000000000000 0.49323554304226 207.200 > 67 68 Pb 0.61389623567195 0.25000000000000 0.49323554304226 207.200 > 67 69 Pb 0.11389623567195 0.58333333333333 0.49323554304226 207.200 > 67 70 Pb 0.61389623567195 0.58333333333333 0.49323554304226 207.200 > 67 71 Pb 0.11389623567195 0.91666666666667 0.49323554304226 207.200 > 67 72 Pb 0.61389623567195 0.91666666666667 0.49323554304226 207.200 > 67 73 Se 0.38200970853066 0.08333333333333 0.82946936035038 78.960 > 73 74 Se 0.88200970853066 0.08333333333333 0.82946936035038 78.960 > 73 75 Se 0.38200970853066 0.41666666666667 0.82946936035038 78.960 > 73 76 Se 0.88200970853066 0.41666666666667 0.82946936035038 78.960 > 73 77 Se 0.38200970853066 0.75000000000000 0.82946936035038 78.960 > 73 78 Se 0.88200970853066 0.75000000000000 0.82946936035038 78.960 > 73 79 Se 0.47637964351198 0.25000000000000 0.61285696873969 78.960 > 79 80 Se 0.97637964351198 0.25000000000000 0.61285696873969 78.960 > 79 81 Se 0.47637964351198 0.58333333333333 0.61285696873969 78.960 > 79 82 Se 0.97637964351198 0.58333333333333 0.61285696873969 78.960 > 79 83 Se 0.47637964351198 0.91666666666667 0.61285696873969 78.960 > 79 84 Se 0.97637964351198 0.91666666666667 0.61285696873969 78.960 > 79 85 Se 0.29006321186833 0.25000000000000 0.60530466155639 78.960 > 85 86 Se 0.79006321186833 0.25000000000000 0.60530466155639 78.960 > 85 87 Se 0.29006321186833 0.58333333333333 0.60530466155639 78.960 > 85 88 Se 0.79006321186833 0.58333333333333 0.60530466155639 78.960 > 85 89 Se 0.29006321186833 0.91666666666667 0.60530466155639 78.960 > 85 90 Se 0.79006321186833 0.91666666666667 0.60530466155639 78.960 > 85 91 Se 0.11799029146934 0.25000000000000 0.17053063964962 78.960 > 91 92 Se 0.61799029146934 0.25000000000000 0.17053063964962 78.960 > 91 93 Se 0.11799029146934 0.58333333333333 0.17053063964962 78.960 > 91 94 Se 0.61799029146934 0.58333333333333 0.17053063964962 78.960 > 91 95 Se 0.11799029146934 0.91666666666667 0.17053063964962 78.960 > 91 96 Se 0.61799029146934 0.91666666666667 0.17053063964962 78.960 > 91 97 Se 0.20993678813167 0.08333333333333 0.39469533844361 78.960 > 97 98 Se 0.70993678813167 0.08333333333333 0.39469533844361 78.960 > 97 99 Se 0.20993678813167 0.41666666666667 0.39469533844361 78.960 > 97 100 Se 0.70993678813167 0.41666666666667 0.39469533844361 78.960 > 97 101 Se 0.20993678813167 0.75000000000000 0.39469533844361 78.960 > 97 102 Se 0.70993678813167 0.75000000000000 0.39469533844361 78.960 > 97 103 Se 0.45993678813167 0.08333333333333 0.10530466155639 78.960 > 103 104 Se 0.95993678813167 0.08333333333333 0.10530466155639 78.960 > 103 105 Se 0.45993678813167 0.41666666666667 0.10530466155639 78.960 > 103 106 Se 0.95993678813167 0.41666666666667 0.10530466155639 78.960 > 103 107 Se 0.45993678813167 0.75000000000000 0.10530466155639 78.960 > 103 108 Se 0.95993678813167 0.75000000000000 0.10530466155639 78.960 > 103 109 Se 0.02362035648802 0.08333333333333 0.38714303126031 78.960 > 109 110 Se 0.52362035648802 0.08333333333333 0.38714303126031 78.960 > 109 111 Se 0.02362035648802 0.41666666666667 0.38714303126031 78.960 > 109 112 Se 0.52362035648802 0.41666666666667 0.38714303126031 78.960 > 109 113 Se 0.02362035648802 0.75000000000000 0.38714303126031 78.960 > 109 114 Se 0.52362035648802 0.75000000000000 0.38714303126031 78.960 > 109 115 Se 0.22637964351198 0.25000000000000 0.88714303126031 78.960 > 115 116 Se 0.72637964351198 0.25000000000000 0.88714303126031 78.960 > 115 117 Se 0.22637964351198 0.58333333333333 0.88714303126031 78.960 > 115 118 Se 0.72637964351198 0.58333333333333 0.88714303126031 78.960 > 115 119 Se 0.22637964351198 0.91666666666667 0.88714303126031 78.960 > 115 120 Se 0.72637964351198 0.91666666666667 0.88714303126031 78.960 > 115 121 Se 0.27362035648802 0.08333333333333 0.11285696873969 78.960 > 121 122 Se 0.77362035648802 0.08333333333333 0.11285696873969 78.960 > 121 123 Se 0.27362035648802 0.41666666666667 0.11285696873969 78.960 > 121 124 Se 0.77362035648802 0.41666666666667 0.11285696873969 78.960 > 121 125 Se 0.27362035648802 0.75000000000000 0.11285696873969 78.960 > 121 126 Se 0.77362035648802 0.75000000000000 0.11285696873969 78.960 > 121 127 Se 0.36799029146934 0.25000000000000 0.32946936035038 78.960 > 127 128 Se 0.86799029146934 0.25000000000000 0.32946936035038 78.960 > 127 129 Se 0.36799029146934 0.58333333333333 0.32946936035038 78.960 > 127 130 Se 0.86799029146934 0.58333333333333 0.32946936035038 78.960 > 127 131 Se 0.36799029146934 0.91666666666667 0.32946936035038 78.960 > 127 132 Se 0.86799029146934 0.91666666666667 0.32946936035038 78.960 > 127 133 Se 0.13200970853066 0.08333333333333 0.67053063964962 78.960 > 133 134 Se 0.63200970853066 0.08333333333333 0.67053063964962 78.960 > 133 135 Se 0.13200970853066 0.41666666666667 0.67053063964962 78.960 > 133 136 Se 0.63200970853066 0.41666666666667 0.67053063964962 78.960 > 133 137 Se 0.13200970853066 0.75000000000000 0.67053063964962 78.960 > 133 138 Se 0.63200970853066 0.75000000000000 0.67053063964962 78.960 > 133 139 Se 0.04006321186833 0.25000000000000 0.89469533844361 78.960 > 139 140 Se 0.54006321186833 0.25000000000000 0.89469533844361 78.960 > 139 141 Se 0.04006321186833 0.58333333333333 0.89469533844361 78.960 > 139 142 Se 0.54006321186833 0.58333333333333 0.89469533844361 78.960 > 139 143 Se 0.04006321186833 0.91666666666667 0.89469533844361 78.960 > 139 144 Se 0.54006321186833 0.91666666666667 0.89469533844361 78.960 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 12.5378131 0.0000000 0.0000000 0.0000000 13.8604333 0.0000000 0.0000000 0.0000000 12.0567994 -------------------------- Born effective charges -------------------------- 1 Er 4.9271960 0.0000000 1.0137556 0.0000000 4.5066316 0.0000000 -0.4116265 0.0000000 3.3580751 2 Er 4.9271960 0.0000000 -1.0137556 0.0000000 4.5066316 0.0000000 0.4116265 0.0000000 3.3580751 3 Er 4.9271960 0.0000000 -1.0137556 0.0000000 4.5066316 0.0000000 0.4116265 0.0000000 3.3580751 4 Er 4.9271960 0.0000000 1.0137556 0.0000000 4.5066316 0.0000000 -0.4116265 0.0000000 3.3580751 5 Cu 0.3799827 0.0000000 0.1909455 0.0000000 0.8827159 0.0000000 0.1446825 0.0000000 0.7779919 6 Cu 0.3799827 0.0000000 -0.1909455 0.0000000 0.8827159 0.0000000 -0.1446825 0.0000000 0.7779919 7 Cu 0.3799827 0.0000000 -0.1909455 0.0000000 0.8827159 0.0000000 -0.1446825 0.0000000 0.7779919 8 Cu 0.3799827 0.0000000 0.1909455 0.0000000 0.8827159 0.0000000 0.1446825 0.0000000 0.7779919 9 Pb 3.9708222 0.0000000 -0.0301834 0.0000000 5.0394671 0.0000000 -0.3972079 0.0000000 4.6516345 10 Pb 3.9708222 0.0000000 0.0301834 0.0000000 5.0394671 0.0000000 0.3972079 0.0000000 4.6516345 11 Pb 3.9708222 0.0000000 0.0301834 0.0000000 5.0394671 0.0000000 0.3972079 0.0000000 4.6516345 12 Pb 3.9708222 0.0000000 -0.0301834 0.0000000 5.0394671 0.0000000 -0.3972079 0.0000000 4.6516345 13 Se -3.7279154 0.0000000 0.4487116 0.0000000 -2.7524953 0.0000000 0.2054336 0.0000000 -2.8257646 14 Se -3.0030342 0.0000000 -0.7005888 0.0000000 -3.8416375 0.0000000 -0.0937676 0.0000000 -3.1355020 15 Se -2.5470513 0.0000000 1.3668051 0.0000000 -3.8346817 0.0000000 0.6744717 0.0000000 -2.8264349 16 Se -3.7279154 0.0000000 0.4487116 0.0000000 -2.7524953 0.0000000 0.2054336 0.0000000 -2.8257646 17 Se -2.5470513 0.0000000 1.3668051 0.0000000 -3.8346817 0.0000000 0.6744717 0.0000000 -2.8264349 18 Se -2.5470513 0.0000000 -1.3668051 0.0000000 -3.8346817 0.0000000 -0.6744717 0.0000000 -2.8264349 19 Se -3.0030342 0.0000000 -0.7005888 0.0000000 -3.8416375 0.0000000 -0.0937676 0.0000000 -3.1355020 20 Se -3.0030342 0.0000000 0.7005888 0.0000000 -3.8416375 0.0000000 0.0937676 0.0000000 -3.1355020 21 Se -3.0030342 0.0000000 0.7005888 0.0000000 -3.8416375 0.0000000 0.0937676 0.0000000 -3.1355020 22 Se -3.7279154 0.0000000 -0.4487116 0.0000000 -2.7524953 0.0000000 -0.2054336 0.0000000 -2.8257646 23 Se -3.7279154 0.0000000 -0.4487116 0.0000000 -2.7524953 0.0000000 -0.2054336 0.0000000 -2.8257646 24 Se -2.5470513 0.0000000 -1.3668051 0.0000000 -3.8346817 0.0000000 -0.6744717 0.0000000 -2.8264349 ---------------------------------------------------------------------------- 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: 0.51, 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: 7.23e-05 7.23e-05 7.23e-05 7.23e-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 0.604 ( 0.000 0.000 0.000) 0.000 0.757 ( 0.000 0.000 0.000) 0.000 0.862 ( 0.000 0.000 0.000) 0.000 0.947 ( 0.000 0.000 0.000) 0.000 0.985 ( 0.000 0.000 0.000) 0.000 1.014 ( 0.000 0.000 0.000) 0.000 1.069 ( 0.000 0.000 0.000) 0.000 1.168 ( 0.000 0.000 0.000) 0.000 1.221 ( 0.000 0.000 0.000) 0.000 1.390 ( 0.000 0.000 0.000) 0.000 1.486 ( 0.000 0.000 0.000) 0.000 1.535 ( 0.000 0.000 0.000) 0.000 1.592 ( 0.000 0.000 0.000) 0.000 1.655 ( 0.000 0.000 0.000) 0.000 1.672 ( 0.000 0.000 0.000) 0.000 1.915 ( 0.000 0.000 0.000) 0.000 1.977 ( 0.000 0.000 0.000) 0.000 2.002 ( 0.000 0.000 0.000) 0.000 2.022 ( 0.000 0.000 0.000) 0.000 2.034 ( 0.000 0.000 0.000) 0.000 2.056 ( 0.000 0.000 0.000) 0.000 2.244 ( 0.000 0.000 0.000) 0.000 2.252 ( 0.000 0.000 0.000) 0.000 2.357 ( 0.000 0.000 0.000) 0.000 2.456 ( 0.000 0.000 0.000) 0.000 2.514 ( 0.000 0.000 0.000) 0.000 2.542 ( 0.000 0.000 0.000) 0.000 2.582 ( 0.000 0.000 0.000) 0.000 2.710 ( 0.000 0.000 0.000) 0.000 2.750 ( 0.000 0.000 0.000) 0.000 2.803 ( 0.000 0.000 0.000) 0.000 3.495 ( 0.000 0.000 0.000) 0.000 3.635 ( 0.000 0.000 0.000) 0.000 3.666 ( 0.000 0.000 0.000) 0.000 3.724 ( 0.000 0.000 0.000) 0.000 3.785 ( 0.000 0.000 0.000) 0.000 3.813 ( 0.000 0.000 0.000) 0.000 3.898 ( 0.000 0.000 0.000) 0.000 3.922 ( 0.000 0.000 0.000) 0.000 3.932 ( 0.000 0.000 0.000) 0.000 3.982 ( 0.000 0.000 0.000) 0.000 4.022 ( 0.000 0.000 0.000) 0.000 4.072 ( 0.000 0.000 0.000) 0.000 4.186 ( 0.000 0.000 0.000) 0.000 4.266 ( 0.000 0.000 0.000) 0.000 4.549 ( 0.000 0.000 0.000) 0.000 4.550 ( 0.000 0.000 0.000) 0.000 4.595 ( 0.000 0.000 0.000) 0.000 4.623 ( 0.000 0.000 0.000) 0.000 4.681 ( 0.000 0.000 0.000) 0.000 4.737 ( 0.000 0.000 0.000) 0.000 4.764 ( 0.000 0.000 0.000) 0.000 4.861 ( 0.000 0.000 0.000) 0.000 4.929 ( 0.000 0.000 0.000) 0.000 4.934 ( 0.000 0.000 0.000) 0.000 4.945 ( 0.000 0.000 0.000) 0.000 4.976 ( 0.000 0.000 0.000) 0.000 5.009 ( 0.000 0.000 0.000) 0.000 5.087 ( 0.000 0.000 0.000) 0.000 5.287 ( 0.000 0.000 0.000) 0.000 5.287 ( 0.000 0.000 0.000) 0.000 5.364 ( 0.000 0.000 0.000) 0.000 5.407 ( 0.000 0.000 0.000) 0.000 5.471 ( 0.000 0.000 0.000) 0.000 5.515 ( 0.000 0.000 0.000) 0.000 5.633 ( 0.000 0.000 0.000) 0.000 5.665 ( 0.000 0.000 0.000) 0.000 5.762 ( 0.000 0.000 0.000) 0.000 6.067 ( 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: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.259 ( 13.153 0.000 0.000) 13.153 0.357 ( 17.099 0.000 0.000) 17.099 0.567 ( 18.893 0.000 0.000) 18.893 0.777 ( 1.928 0.000 0.000) 1.928 0.805 ( 14.638 0.000 0.000) 14.638 0.848 ( -1.576 0.000 0.000) 1.576 0.929 ( -1.841 0.000 0.000) 1.841 1.018 ( 0.036 0.000 0.000) 0.036 1.055 ( -2.404 0.000 0.000) 2.404 1.178 ( 8.828 0.000 0.000) 8.828 1.189 ( 2.246 0.000 0.000) 2.246 1.189 ( -2.595 0.000 0.000) 2.595 1.420 ( 3.021 0.000 0.000) 3.021 1.494 ( -4.161 0.000 0.000) 4.161 1.568 ( 7.417 0.000 0.000) 7.417 1.624 ( -3.315 0.000 0.000) 3.315 1.650 ( -2.343 0.000 0.000) 2.343 1.715 ( 12.110 0.000 0.000) 12.110 1.891 ( -1.332 0.000 0.000) 1.332 2.006 ( 0.393 0.000 0.000) 0.393 2.019 ( -0.207 0.000 0.000) 0.207 2.022 ( 3.555 0.000 0.000) 3.555 2.031 ( -0.308 0.000 0.000) 0.308 2.049 ( -0.639 0.000 0.000) 0.639 2.184 ( -3.383 0.000 0.000) 3.383 2.337 ( -2.240 0.000 0.000) 2.240 2.360 ( 1.730 0.000 0.000) 1.730 2.459 ( -2.034 0.000 0.000) 2.034 2.548 ( 3.302 0.000 0.000) 3.302 2.567 ( -1.903 0.000 0.000) 1.903 2.695 ( -1.845 0.000 0.000) 1.845 2.781 ( -2.250 0.000 0.000) 2.250 2.790 ( 3.483 0.000 0.000) 3.483 2.846 ( 2.118 0.000 0.000) 2.118 3.353 ( -13.563 0.000 0.000) 13.563 3.522 ( -13.691 0.000 0.000) 13.691 3.638 ( 0.329 0.000 0.000) 0.329 3.703 ( -1.671 0.000 0.000) 1.671 3.800 ( 1.002 0.000 0.000) 1.002 3.814 ( 0.112 0.000 0.000) 0.112 3.901 ( 0.257 0.000 0.000) 0.257 3.920 ( -0.218 0.000 0.000) 0.218 3.939 ( 0.763 0.000 0.000) 0.763 4.013 ( -0.865 0.000 0.000) 0.865 4.126 ( 4.894 0.000 0.000) 4.894 4.207 ( 1.893 0.000 0.000) 1.893 4.291 ( 2.395 0.000 0.000) 2.395 4.503 ( -3.470 0.000 0.000) 3.470 4.532 ( -1.390 0.000 0.000) 1.390 4.602 ( 0.458 0.000 0.000) 0.458 4.609 ( 1.039 0.000 0.000) 1.039 4.626 ( 0.368 0.000 0.000) 0.368 4.674 ( -0.749 0.000 0.000) 0.749 4.740 ( 0.308 0.000 0.000) 0.308 4.762 ( -0.198 0.000 0.000) 0.198 4.763 ( -8.215 0.000 0.000) 8.215 4.908 ( -1.247 0.000 0.000) 1.247 4.912 ( -1.595 0.000 0.000) 1.595 4.953 ( 1.106 0.000 0.000) 1.106 5.024 ( -1.534 0.000 0.000) 1.534 5.140 ( 3.512 0.000 0.000) 3.512 5.268 ( -1.892 0.000 0.000) 1.892 5.294 ( 6.840 0.000 0.000) 6.840 5.377 ( 1.326 0.000 0.000) 1.326 5.420 ( 1.716 0.000 0.000) 1.716 5.514 ( 2.435 0.000 0.000) 2.435 5.557 ( 4.547 0.000 0.000) 4.547 5.615 ( 1.429 0.000 0.000) 1.429 5.667 ( 0.322 0.000 0.000) 0.322 5.769 ( 0.510 0.000 0.000) 0.510 5.847 ( -1.248 0.000 0.000) 1.248 6.027 ( -3.960 0.000 0.000) 3.960 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.502 ( 11.793 0.000 0.000) 11.793 0.635 ( 11.265 0.000 0.000) 11.265 0.688 ( -5.096 0.000 0.000) 5.096 0.789 ( -5.012 0.000 0.000) 5.012 0.825 ( 2.910 0.000 0.000) 2.910 0.873 ( 2.580 0.000 0.000) 2.580 0.882 ( -2.835 0.000 0.000) 2.835 0.972 ( -5.211 0.000 0.000) 5.211 1.180 ( 2.345 0.000 0.000) 2.345 1.226 ( 1.283 0.000 0.000) 1.283 1.262 ( 5.372 0.000 0.000) 5.372 1.311 ( 12.958 0.000 0.000) 12.958 1.384 ( -6.686 0.000 0.000) 6.686 1.497 ( 4.581 0.000 0.000) 4.581 1.521 ( -7.596 0.000 0.000) 7.596 1.585 ( -4.234 0.000 0.000) 4.234 1.771 ( 9.812 0.000 0.000) 9.812 1.868 ( -1.692 0.000 0.000) 1.692 2.017 ( 4.260 0.000 0.000) 4.260 2.017 ( 11.823 0.000 0.000) 11.823 2.018 ( 0.116 0.000 0.000) 0.116 2.024 ( -0.376 0.000 0.000) 0.376 2.034 ( -0.890 0.000 0.000) 0.890 2.094 ( 3.258 0.000 0.000) 3.258 2.162 ( 1.598 0.000 0.000) 1.598 2.263 ( -5.689 0.000 0.000) 5.689 2.341 ( 0.810 0.000 0.000) 0.810 2.479 ( -8.260 0.000 0.000) 8.260 2.513 ( 5.554 0.000 0.000) 5.554 2.625 ( -5.409 0.000 0.000) 5.409 2.632 ( 5.026 0.000 0.000) 5.026 2.721 ( -3.889 0.000 0.000) 3.889 2.879 ( 6.078 0.000 0.000) 6.078 2.934 ( 8.500 0.000 0.000) 8.500 3.060 ( -13.715 0.000 0.000) 13.715 3.201 ( -17.548 0.000 0.000) 17.548 3.649 ( 0.858 0.000 0.000) 0.858 3.671 ( -1.464 0.000 0.000) 1.464 3.813 ( 0.371 0.000 0.000) 0.371 3.816 ( 0.042 0.000 0.000) 0.042 3.907 ( 0.375 0.000 0.000) 0.375 3.914 ( -0.349 0.000 0.000) 0.349 3.961 ( 1.450 0.000 0.000) 1.450 3.990 ( -1.461 0.000 0.000) 1.461 4.220 ( 3.731 0.000 0.000) 3.731 4.244 ( 1.158 0.000 0.000) 1.158 4.351 ( 3.722 0.000 0.000) 3.722 4.428 ( -4.086 0.000 0.000) 4.086 4.517 ( 0.445 0.000 0.000) 0.445 4.566 ( -4.006 0.000 0.000) 4.006 4.630 ( 1.193 0.000 0.000) 1.193 4.638 ( 0.784 0.000 0.000) 0.784 4.656 ( -1.017 0.000 0.000) 1.017 4.658 ( -2.252 0.000 0.000) 2.252 4.748 ( 0.437 0.000 0.000) 0.437 4.756 ( -0.371 0.000 0.000) 0.371 4.887 ( -0.735 0.000 0.000) 0.735 4.887 ( -0.710 0.000 0.000) 0.710 4.973 ( 0.945 0.000 0.000) 0.945 4.993 ( -1.298 0.000 0.000) 1.298 5.190 ( 2.045 0.000 0.000) 2.045 5.228 ( -2.061 0.000 0.000) 2.061 5.381 ( 1.731 0.000 0.000) 1.731 5.394 ( 0.170 0.000 0.000) 0.170 5.490 ( 4.454 0.000 0.000) 4.454 5.539 ( -0.357 0.000 0.000) 0.357 5.647 ( 3.207 0.000 0.000) 3.207 5.649 ( 1.715 0.000 0.000) 1.715 5.686 ( 2.220 0.000 0.000) 2.220 5.752 ( -2.917 0.000 0.000) 2.917 5.849 ( 2.435 0.000 0.000) 2.435 5.931 ( -5.345 0.000 0.000) 5.345 ======================= Grid point 5 (4/63) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.338 ( 0.000 17.045 0.000) 17.045 0.378 ( 0.000 19.830 0.000) 19.830 0.619 ( 0.000 20.712 0.000) 20.712 0.711 ( 0.000 19.421 0.000) 19.421 0.904 ( 0.000 -0.718 0.000) 0.718 0.937 ( 0.000 15.476 0.000) 15.476 0.994 ( 0.000 11.622 0.000) 11.622 1.014 ( 0.000 3.515 0.000) 3.515 1.089 ( 0.000 2.090 0.000) 2.090 1.124 ( 0.000 6.345 0.000) 6.345 1.142 ( 0.000 -5.810 0.000) 5.810 1.358 ( 0.000 -2.180 0.000) 2.180 1.380 ( 0.000 -7.052 0.000) 7.052 1.383 ( 0.000 -8.763 0.000) 8.763 1.640 ( 0.000 3.435 0.000) 3.435 1.714 ( 0.000 -1.099 0.000) 1.099 1.734 ( 0.000 0.811 0.000) 0.811 1.751 ( 0.000 5.417 0.000) 5.417 1.900 ( 0.000 2.347 0.000) 2.347 1.929 ( 0.000 5.349 0.000) 5.349 2.079 ( 0.000 5.247 0.000) 5.247 2.119 ( 0.000 5.062 0.000) 5.062 2.136 ( 0.000 9.362 0.000) 9.362 2.220 ( 0.000 9.932 0.000) 9.932 2.262 ( 0.000 0.889 0.000) 0.889 2.274 ( 0.000 4.191 0.000) 4.191 2.364 ( 0.000 0.678 0.000) 0.678 2.468 ( 0.000 0.943 0.000) 0.943 2.511 ( 0.000 -0.223 0.000) 0.223 2.534 ( 0.000 -0.392 0.000) 0.392 2.558 ( 0.000 -2.308 0.000) 2.308 2.659 ( 0.000 -4.460 0.000) 4.460 2.729 ( 0.000 -2.216 0.000) 2.216 2.795 ( 0.000 -0.794 0.000) 0.794 3.476 ( 0.000 -1.319 0.000) 1.319 3.629 ( 0.000 -3.375 0.000) 3.375 3.784 ( 0.000 5.425 0.000) 5.425 3.876 ( 0.000 7.795 0.000) 7.795 3.886 ( 0.000 1.847 0.000) 1.847 3.888 ( 0.000 0.684 0.000) 0.684 3.946 ( 0.000 3.751 0.000) 3.751 3.962 ( 0.000 6.339 0.000) 6.339 3.977 ( 0.000 4.140 0.000) 4.140 4.087 ( 0.000 1.502 0.000) 1.502 4.092 ( 0.000 4.627 0.000) 4.627 4.189 ( 0.000 0.502 0.000) 0.502 4.264 ( 0.000 -0.140 0.000) 0.140 4.531 ( 0.000 -1.848 0.000) 1.848 4.537 ( 0.000 -1.221 0.000) 1.221 4.571 ( 0.000 -2.578 0.000) 2.578 4.635 ( 0.000 -4.457 0.000) 4.457 4.669 ( 0.000 4.259 0.000) 4.259 4.739 ( 0.000 2.515 0.000) 2.515 4.756 ( 0.000 1.673 0.000) 1.673 4.855 ( 0.000 -0.419 0.000) 0.419 4.921 ( 0.000 -1.110 0.000) 1.110 4.928 ( 0.000 0.051 0.000) 0.051 4.935 ( 0.000 -1.117 0.000) 1.117 4.982 ( 0.000 0.595 0.000) 0.595 5.034 ( 0.000 1.915 0.000) 1.915 5.061 ( 0.000 -2.396 0.000) 2.396 5.263 ( 0.000 -2.255 0.000) 2.255 5.273 ( 0.000 -1.260 0.000) 1.260 5.333 ( 0.000 -4.248 0.000) 4.248 5.360 ( 0.000 -0.486 0.000) 0.486 5.449 ( 0.000 1.321 0.000) 1.321 5.459 ( 0.000 -1.148 0.000) 1.148 5.503 ( 0.000 -1.232 0.000) 1.232 5.620 ( 0.000 -1.177 0.000) 1.177 5.654 ( 0.000 -1.108 0.000) 1.108 5.759 ( 0.000 -0.181 0.000) 0.181 6.010 ( 0.000 -5.595 0.000) 5.595 ======================= Grid point 6 (5/63) ======================= q-point: ( 0.20 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.435 ( 5.146 15.088 0.000) 15.941 0.450 ( 6.537 10.615 0.000) 12.466 0.751 ( 8.366 8.841 0.000) 12.172 0.894 ( 4.066 13.658 0.000) 14.251 0.911 ( -0.015 1.047 0.000) 1.048 0.964 ( 5.227 13.857 0.000) 14.810 0.987 ( -0.618 10.217 0.000) 10.235 1.031 ( 10.378 5.962 0.000) 11.969 1.106 ( -1.200 2.638 0.000) 2.898 1.112 ( -2.747 -1.662 0.000) 3.211 1.210 ( 7.504 3.926 0.000) 8.469 1.370 ( -1.180 -6.507 0.000) 6.613 1.389 ( 5.648 -2.481 0.000) 6.169 1.485 ( 6.524 -3.515 0.000) 7.411 1.531 ( -8.655 13.635 0.000) 16.150 1.692 ( -2.224 2.063 0.000) 3.034 1.721 ( -1.683 -0.683 0.000) 1.817 1.726 ( 9.313 2.571 0.000) 9.661 1.872 ( -2.713 5.269 0.000) 5.926 1.952 ( 2.154 1.946 0.000) 2.903 2.059 ( -1.433 3.527 0.000) 3.807 2.117 ( 0.568 6.353 0.000) 6.378 2.126 ( -0.658 8.530 0.000) 8.556 2.227 ( -1.642 5.908 0.000) 6.132 2.229 ( 0.810 10.151 0.000) 10.183 2.338 ( 2.318 -1.422 0.000) 2.720 2.343 ( -2.201 0.734 0.000) 2.321 2.471 ( -1.910 1.285 0.000) 2.302 2.544 ( -1.852 -2.229 0.000) 2.898 2.547 ( 3.547 0.076 0.000) 3.548 2.646 ( -1.512 -4.209 0.000) 4.473 2.659 ( 9.383 -7.798 0.000) 12.200 2.770 ( 3.766 -2.443 0.000) 4.489 2.775 ( -2.038 -0.602 0.000) 2.125 3.334 ( -13.761 -1.415 0.000) 13.833 3.483 ( -13.848 -3.592 0.000) 14.306 3.776 ( -0.751 6.009 0.000) 6.056 3.824 ( -3.758 5.562 0.000) 6.712 3.875 ( -0.046 6.999 0.000) 6.999 3.893 ( -0.582 5.869 0.000) 5.898 3.951 ( 0.346 1.895 0.000) 1.926 3.959 ( -0.277 5.464 0.000) 5.471 3.979 ( 0.262 3.939 0.000) 3.947 4.033 ( -3.102 4.602 0.000) 5.550 4.147 ( 4.828 2.379 0.000) 5.382 4.215 ( 2.249 1.001 0.000) 2.462 4.290 ( 2.516 0.040 0.000) 2.517 4.501 ( -3.447 -0.600 0.000) 3.499 4.511 ( -1.509 -2.000 0.000) 2.505 4.585 ( 1.030 -2.312 0.000) 2.531 4.593 ( -3.772 -3.821 0.000) 5.369 4.674 ( 0.527 4.286 0.000) 4.318 4.677 ( -3.498 2.732 0.000) 4.439 4.762 ( 0.593 1.912 0.000) 2.001 4.803 ( -3.575 3.323 0.000) 4.881 4.829 ( -3.957 4.403 0.000) 5.919 4.905 ( -1.087 -0.192 0.000) 1.104 4.917 ( -2.112 0.478 0.000) 2.166 4.940 ( 0.726 -1.160 0.000) 1.368 4.997 ( -1.850 -2.586 0.000) 3.179 5.144 ( 3.231 0.401 0.000) 3.255 5.247 ( -1.580 -2.006 0.000) 2.554 5.283 ( 6.193 -1.286 0.000) 6.325 5.371 ( 1.195 -0.516 0.000) 1.302 5.413 ( 1.569 -0.874 0.000) 1.797 5.502 ( 2.438 -1.187 0.000) 2.712 5.540 ( 4.196 -1.621 0.000) 4.498 5.575 ( 3.904 -4.695 0.000) 6.106 5.654 ( 0.077 -1.257 0.000) 1.259 5.684 ( 4.208 -7.537 0.000) 8.632 5.769 ( 1.385 -0.877 0.000) 1.640 5.974 ( -3.505 -5.127 0.000) 6.211 ======================= Grid point 7 (6/63) ======================= q-point: ( 0.40 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.533 ( 3.760 6.014 0.000) 7.093 0.544 ( 2.743 1.831 0.000) 3.298 0.855 ( 2.438 2.035 0.000) 3.176 0.886 ( -1.933 2.877 0.000) 3.466 0.923 ( 0.783 12.098 0.000) 12.123 0.956 ( -2.458 8.281 0.000) 8.638 0.969 ( 2.214 9.205 0.000) 9.467 1.044 ( -4.139 7.613 0.000) 8.665 1.130 ( 3.892 -2.582 0.000) 4.670 1.212 ( -3.071 -0.126 0.000) 3.074 1.314 ( 4.289 6.979 0.000) 8.192 1.345 ( -1.223 0.061 0.000) 1.224 1.473 ( 7.656 11.570 0.000) 13.873 1.548 ( 6.679 4.443 0.000) 8.022 1.624 ( -5.345 5.375 0.000) 7.580 1.656 ( -4.948 2.503 0.000) 5.545 1.687 ( 9.683 -4.579 0.000) 10.711 1.808 ( -3.928 1.457 0.000) 4.189 1.988 ( 11.139 1.921 0.000) 11.304 1.997 ( 2.106 1.550 0.000) 2.615 2.045 ( 2.101 2.682 0.000) 3.407 2.120 ( -0.278 7.383 0.000) 7.388 2.178 ( 6.088 4.702 0.000) 7.692 2.206 ( 0.730 7.931 0.000) 7.964 2.239 ( -0.818 7.467 0.000) 7.511 2.279 ( -3.789 3.623 0.000) 5.242 2.340 ( -0.226 0.634 0.000) 0.673 2.456 ( -8.245 -2.197 0.000) 8.532 2.500 ( 4.493 -0.969 0.000) 4.596 2.592 ( -4.178 -2.853 0.000) 5.059 2.636 ( 5.066 0.311 0.000) 5.075 2.721 ( -3.568 -0.089 0.000) 3.569 2.809 ( 7.738 -5.433 0.000) 9.455 2.887 ( 9.452 -3.622 0.000) 10.123 3.025 ( -15.319 -2.581 0.000) 15.535 3.160 ( -17.600 -3.849 0.000) 18.016 3.763 ( -0.318 7.059 0.000) 7.066 3.772 ( -1.459 7.979 0.000) 8.111 3.876 ( 0.162 6.002 0.000) 6.004 3.882 ( -0.473 5.960 0.000) 5.979 3.953 ( -0.002 3.634 0.000) 3.634 3.954 ( -0.175 4.514 0.000) 4.517 3.987 ( 0.541 2.769 0.000) 2.821 3.999 ( -0.839 1.795 0.000) 1.982 4.235 ( 3.422 1.750 0.000) 3.844 4.255 ( 1.225 1.348 0.000) 1.821 4.352 ( 3.706 0.166 0.000) 3.710 4.427 ( -3.944 -0.087 0.000) 3.945 4.490 ( -0.194 -2.305 0.000) 2.313 4.520 ( -3.227 -3.341 0.000) 4.645 4.606 ( 1.200 -1.901 0.000) 2.248 4.633 ( -1.614 -0.616 0.000) 1.727 4.693 ( 1.464 4.563 0.000) 4.792 4.734 ( -2.861 4.975 0.000) 5.739 4.778 ( 0.939 2.548 0.000) 2.715 4.797 ( -1.023 3.388 0.000) 3.539 4.887 ( -0.770 -0.017 0.000) 0.770 4.887 ( -0.730 -0.011 0.000) 0.730 4.953 ( 0.646 -1.924 0.000) 2.030 4.968 ( -1.081 -2.481 0.000) 2.706 5.184 ( 1.520 -0.459 0.000) 1.588 5.214 ( -1.652 -1.332 0.000) 2.123 5.375 ( 1.877 -0.738 0.000) 2.017 5.387 ( 0.184 -0.660 0.000) 0.685 5.475 ( 4.430 -1.567 0.000) 4.699 5.526 ( -0.458 -1.325 0.000) 1.402 5.628 ( 2.224 -2.318 0.000) 3.213 5.629 ( 4.025 -2.109 0.000) 4.543 5.657 ( 0.082 -2.384 0.000) 2.386 5.696 ( -1.915 -4.953 0.000) 5.310 5.815 ( 3.016 -2.650 0.000) 4.015 5.890 ( -4.637 -3.913 0.000) 6.067 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.646 ( 0.000 14.383 0.000) 14.383 0.756 ( 0.000 18.867 0.000) 18.867 0.814 ( 0.000 8.604 0.000) 8.604 0.938 ( 0.000 3.854 0.000) 3.854 1.036 ( 0.000 -3.409 0.000) 3.409 1.092 ( 0.000 6.001 0.000) 6.001 1.148 ( 0.000 4.470 0.000) 4.470 1.170 ( 0.000 -1.373 0.000) 1.373 1.251 ( 0.000 12.360 0.000) 12.360 1.268 ( 0.000 11.381 0.000) 11.381 1.272 ( 0.000 -2.673 0.000) 2.673 1.278 ( 0.000 -2.190 0.000) 2.190 1.293 ( 0.000 28.563 0.000) 28.563 1.340 ( 0.000 4.213 0.000) 4.213 1.629 ( 0.000 -4.600 0.000) 4.600 1.700 ( 0.000 3.128 0.000) 3.128 1.742 ( 0.000 2.394 0.000) 2.394 1.840 ( 0.000 3.924 0.000) 3.924 2.056 ( 0.000 10.292 0.000) 10.292 2.094 ( 0.000 9.941 0.000) 9.941 2.186 ( 0.000 2.883 0.000) 2.883 2.248 ( 0.000 11.930 0.000) 11.930 2.270 ( 0.000 -0.584 0.000) 0.584 2.334 ( 0.000 10.406 0.000) 10.406 2.364 ( 0.000 2.653 0.000) 2.653 2.401 ( 0.000 4.197 0.000) 4.197 2.410 ( 0.000 5.808 0.000) 5.808 2.470 ( 0.000 -0.943 0.000) 0.943 2.503 ( 0.000 -3.074 0.000) 3.074 2.522 ( 0.000 3.170 0.000) 3.170 2.556 ( 0.000 3.066 0.000) 3.066 2.589 ( 0.000 -0.894 0.000) 0.894 2.664 ( 0.000 -3.990 0.000) 3.990 2.771 ( 0.000 -1.885 0.000) 1.885 3.455 ( 0.000 -0.889 0.000) 0.889 3.548 ( 0.000 -4.670 0.000) 4.670 3.851 ( 0.000 -1.675 0.000) 1.675 3.900 ( 0.000 5.850 0.000) 5.850 3.910 ( 0.000 1.770 0.000) 1.770 4.028 ( 0.000 6.775 0.000) 6.775 4.071 ( 0.000 5.172 0.000) 5.172 4.107 ( 0.000 6.901 0.000) 6.901 4.107 ( 0.000 7.294 0.000) 7.294 4.126 ( 0.000 2.403 0.000) 2.403 4.207 ( 0.000 8.334 0.000) 8.334 4.229 ( 0.000 4.658 0.000) 4.658 4.267 ( 0.000 0.778 0.000) 0.778 4.472 ( 0.000 -4.543 0.000) 4.543 4.485 ( 0.000 -6.665 0.000) 6.665 4.502 ( 0.000 -2.411 0.000) 2.411 4.520 ( 0.000 -7.145 0.000) 7.145 4.764 ( 0.000 4.801 0.000) 4.801 4.782 ( 0.000 0.371 0.000) 0.371 4.804 ( 0.000 4.048 0.000) 4.048 4.860 ( 0.000 1.161 0.000) 1.161 4.896 ( 0.000 -2.991 0.000) 2.991 4.912 ( 0.000 0.975 0.000) 0.975 4.943 ( 0.000 1.948 0.000) 1.948 5.002 ( 0.000 1.531 0.000) 1.531 5.011 ( 0.000 -2.349 0.000) 2.349 5.056 ( 0.000 0.098 0.000) 0.098 5.219 ( 0.000 -1.894 0.000) 1.894 5.244 ( 0.000 -4.836 0.000) 4.836 5.251 ( 0.000 -0.745 0.000) 0.745 5.345 ( 0.000 -1.034 0.000) 1.034 5.432 ( 0.000 -1.479 0.000) 1.479 5.453 ( 0.000 -0.862 0.000) 0.862 5.469 ( 0.000 -2.267 0.000) 2.267 5.597 ( 0.000 -1.006 0.000) 1.006 5.628 ( 0.000 -1.357 0.000) 1.357 5.758 ( 0.000 0.119 0.000) 0.119 5.876 ( 0.000 -7.414 0.000) 7.414 ======================= Grid point 11 (8/63) ======================= q-point: ( 0.20 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.689 ( 1.141 12.458 0.000) 12.510 0.757 ( -0.391 16.809 0.000) 16.814 0.880 ( 3.759 6.165 0.000) 7.221 0.947 ( -0.198 2.527 0.000) 2.535 1.025 ( 0.236 -1.664 0.000) 1.680 1.098 ( 0.502 6.664 0.000) 6.683 1.138 ( -0.228 8.274 0.000) 8.277 1.139 ( -1.525 3.119 0.000) 3.472 1.233 ( -1.432 4.070 0.000) 4.315 1.294 ( -1.032 -0.495 0.000) 1.144 1.339 ( 4.454 5.175 0.000) 6.827 1.382 ( 6.057 12.208 0.000) 13.628 1.407 ( 11.863 1.631 0.000) 11.974 1.442 ( 15.107 18.317 0.000) 23.743 1.622 ( -0.676 -4.479 0.000) 4.530 1.740 ( -0.532 2.887 0.000) 2.936 1.742 ( -3.603 6.780 0.000) 7.677 1.786 ( 5.914 3.791 0.000) 7.025 2.055 ( -0.677 10.730 0.000) 10.751 2.085 ( -0.500 9.603 0.000) 9.616 2.151 ( -1.480 4.177 0.000) 4.432 2.229 ( -2.034 7.692 0.000) 7.956 2.303 ( -1.965 8.605 0.000) 8.826 2.325 ( 4.120 1.313 0.000) 4.324 2.351 ( -1.972 1.758 0.000) 2.642 2.385 ( -1.527 5.994 0.000) 6.186 2.410 ( 0.549 5.537 0.000) 5.565 2.498 ( -0.782 -1.339 0.000) 1.551 2.510 ( -0.144 2.324 0.000) 2.328 2.561 ( 3.098 1.544 0.000) 3.462 2.580 ( -0.985 -0.896 0.000) 1.332 2.581 ( 6.112 0.262 0.000) 6.118 2.699 ( 3.124 -4.558 0.000) 5.526 2.755 ( -1.573 -1.591 0.000) 2.237 3.311 ( -14.015 -0.929 0.000) 14.046 3.401 ( -14.087 -4.543 0.000) 14.802 3.867 ( 1.291 0.276 0.000) 1.320 3.890 ( -0.755 5.256 0.000) 5.310 3.919 ( 0.987 0.939 0.000) 1.362 4.014 ( -1.255 5.829 0.000) 5.963 4.063 ( -0.630 5.516 0.000) 5.551 4.064 ( -2.205 6.105 0.000) 6.491 4.098 ( -0.818 7.088 0.000) 7.135 4.124 ( -1.725 3.584 0.000) 3.977 4.241 ( 3.181 7.361 0.000) 8.019 4.259 ( 2.579 3.973 0.000) 4.736 4.300 ( 2.822 1.248 0.000) 3.086 4.449 ( -1.246 -4.736 0.000) 4.897 4.476 ( -2.305 -2.241 0.000) 3.215 4.498 ( -2.131 -5.149 0.000) 5.572 4.514 ( 1.915 -5.157 0.000) 5.501 4.739 ( -5.623 3.199 0.000) 6.469 4.767 ( 0.420 4.551 0.000) 4.570 4.791 ( 0.918 0.299 0.000) 0.965 4.866 ( -0.030 3.243 0.000) 3.243 4.878 ( -1.546 -0.080 0.000) 1.548 4.905 ( -0.603 0.881 0.000) 1.068 4.920 ( -4.125 -0.788 0.000) 4.199 4.938 ( -0.387 1.838 0.000) 1.879 4.953 ( -2.697 -0.028 0.000) 2.697 5.150 ( 3.774 -0.060 0.000) 3.775 5.207 ( -1.038 -1.750 0.000) 2.035 5.246 ( 4.345 -2.131 0.000) 4.839 5.358 ( 0.993 -0.936 0.000) 1.364 5.371 ( 4.870 -3.773 0.000) 6.160 5.471 ( 2.254 -1.935 0.000) 2.971 5.477 ( 3.101 -3.699 0.000) 4.827 5.499 ( 3.419 -2.465 0.000) 4.215 5.609 ( 0.956 -1.872 0.000) 2.102 5.626 ( -0.213 -1.433 0.000) 1.449 5.758 ( 0.116 -0.327 0.000) 0.346 5.853 ( -2.227 -6.589 0.000) 6.955 ======================= Grid point 12 (9/63) ======================= q-point: ( 0.40 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.690 ( 0.511 11.013 0.000) 11.025 0.726 ( -2.555 12.033 0.000) 12.302 0.915 ( 0.512 4.107 0.000) 4.139 0.926 ( -0.989 2.494 0.000) 2.683 1.056 ( 1.866 2.740 0.000) 3.315 1.087 ( -1.350 5.927 0.000) 6.079 1.152 ( 2.745 4.022 0.000) 4.870 1.154 ( 1.551 7.465 0.000) 7.625 1.200 ( -1.552 6.414 0.000) 6.599 1.239 ( -3.950 3.275 0.000) 5.131 1.426 ( 4.223 6.949 0.000) 8.131 1.469 ( 1.404 5.487 0.000) 5.663 1.591 ( 1.023 2.476 0.000) 2.679 1.604 ( -1.185 -3.144 0.000) 3.360 1.621 ( 4.737 6.406 0.000) 7.967 1.708 ( -2.982 4.337 0.000) 5.263 1.821 ( 13.537 14.977 0.000) 20.188 1.997 ( -5.423 12.963 0.000) 14.051 2.041 ( 14.301 2.881 0.000) 14.588 2.097 ( 1.386 7.496 0.000) 7.624 2.151 ( 1.006 7.597 0.000) 7.663 2.226 ( 4.488 2.399 0.000) 5.089 2.271 ( -4.370 6.189 0.000) 7.576 2.293 ( -1.520 4.129 0.000) 4.400 2.334 ( -1.601 3.963 0.000) 4.274 2.390 ( -4.427 -1.139 0.000) 4.571 2.423 ( 3.534 5.861 0.000) 6.844 2.463 ( -2.076 7.282 0.000) 7.572 2.504 ( 0.849 3.170 0.000) 3.282 2.548 ( -2.453 -0.395 0.000) 2.485 2.644 ( 4.596 0.639 0.000) 4.640 2.713 ( -2.707 -0.740 0.000) 2.806 2.729 ( 9.336 -2.462 0.000) 9.655 2.797 ( 8.596 -5.638 0.000) 10.280 2.985 ( -17.191 -1.542 0.000) 17.260 3.070 ( -18.093 -4.975 0.000) 18.764 3.880 ( -0.201 4.930 0.000) 4.934 3.880 ( 0.008 4.089 0.000) 4.089 3.950 ( 1.966 0.452 0.000) 2.017 3.986 ( -1.668 3.492 0.000) 3.870 4.040 ( -0.275 5.326 0.000) 5.333 4.048 ( -0.843 4.996 0.000) 5.067 4.086 ( -0.334 6.639 0.000) 6.648 4.091 ( -1.072 5.502 0.000) 5.606 4.298 ( 2.136 4.858 0.000) 5.307 4.304 ( 1.528 3.849 0.000) 4.141 4.362 ( 3.433 0.913 0.000) 3.552 4.425 ( -2.951 -0.189 0.000) 2.957 4.432 ( -0.266 -3.686 0.000) 3.695 4.451 ( -2.205 -3.815 0.000) 4.406 4.559 ( 2.936 -2.907 0.000) 4.131 4.633 ( -4.775 0.582 0.000) 4.811 4.785 ( 1.504 4.112 0.000) 4.378 4.816 ( 1.724 0.141 0.000) 1.730 4.826 ( -2.639 3.812 0.000) 4.636 4.857 ( -2.433 0.795 0.000) 2.560 4.880 ( 0.337 0.311 0.000) 0.458 4.892 ( -0.728 0.992 0.000) 1.231 4.927 ( -0.212 0.208 0.000) 0.297 4.931 ( -0.375 1.312 0.000) 1.364 5.178 ( 0.465 -0.028 0.000) 0.466 5.188 ( -0.730 -1.045 0.000) 1.274 5.347 ( 3.149 -2.299 0.000) 3.899 5.368 ( -0.016 -1.339 0.000) 1.339 5.435 ( 3.718 -2.253 0.000) 4.348 5.490 ( -0.826 -2.285 0.000) 2.430 5.550 ( 3.193 -5.224 0.000) 6.123 5.564 ( 2.206 -3.941 0.000) 4.517 5.619 ( -0.554 -1.588 0.000) 1.682 5.619 ( -0.130 -2.397 0.000) 2.401 5.769 ( 1.094 -1.879 0.000) 2.174 5.803 ( -2.479 -4.378 0.000) 5.032 ======================= Grid point 15 (10/63) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.877 ( 0.000 9.069 0.000) 9.069 0.957 ( 0.000 5.440 0.000) 5.440 0.982 ( 0.000 -0.742 0.000) 0.742 1.026 ( 0.000 4.083 0.000) 4.083 1.100 ( 0.000 14.038 0.000) 14.038 1.167 ( 0.000 2.741 0.000) 2.741 1.231 ( 0.000 2.799 0.000) 2.799 1.232 ( 0.000 8.323 0.000) 8.323 1.246 ( 0.000 -1.369 0.000) 1.369 1.267 ( 0.000 4.322 0.000) 4.322 1.280 ( 0.000 -1.542 0.000) 1.542 1.449 ( 0.000 7.832 0.000) 7.832 1.571 ( 0.000 10.499 0.000) 10.499 1.578 ( 0.000 -0.292 0.000) 0.292 1.739 ( 0.000 13.412 0.000) 13.412 1.780 ( 0.000 5.279 0.000) 5.279 1.826 ( 0.000 5.397 0.000) 5.397 1.912 ( 0.000 3.942 0.000) 3.942 2.227 ( 0.000 -3.979 0.000) 3.979 2.242 ( 0.000 7.584 0.000) 7.584 2.262 ( 0.000 5.510 0.000) 5.510 2.297 ( 0.000 7.269 0.000) 7.269 2.383 ( 0.000 -0.289 0.000) 0.289 2.398 ( 0.000 -1.949 0.000) 1.949 2.441 ( 0.000 -1.357 0.000) 1.357 2.446 ( 0.000 2.850 0.000) 2.850 2.459 ( 0.000 0.060 0.000) 0.060 2.517 ( 0.000 14.187 0.000) 14.187 2.525 ( 0.000 8.648 0.000) 8.648 2.542 ( 0.000 -2.280 0.000) 2.280 2.646 ( 0.000 6.507 0.000) 6.507 2.664 ( 0.000 6.816 0.000) 6.816 2.724 ( 0.000 -2.414 0.000) 2.414 2.729 ( 0.000 10.217 0.000) 10.217 3.438 ( 0.000 -1.027 0.000) 1.027 3.459 ( 0.000 -4.265 0.000) 4.265 3.849 ( 0.000 1.649 0.000) 1.649 3.960 ( 0.000 3.313 0.000) 3.313 3.993 ( 0.000 3.647 0.000) 3.647 4.107 ( 0.000 1.889 0.000) 1.889 4.158 ( 0.000 3.335 0.000) 3.335 4.171 ( 0.000 1.999 0.000) 1.999 4.191 ( 0.000 2.825 0.000) 2.825 4.239 ( 0.000 6.481 0.000) 6.481 4.304 ( 0.000 2.559 0.000) 2.559 4.315 ( 0.000 -10.249 0.000) 10.249 4.356 ( 0.000 -6.575 0.000) 6.575 4.358 ( 0.000 7.134 0.000) 7.134 4.373 ( 0.000 -1.562 0.000) 1.562 4.379 ( 0.000 1.993 0.000) 1.993 4.447 ( 0.000 -3.146 0.000) 3.146 4.779 ( 0.000 -0.010 0.000) 0.010 4.822 ( 0.000 -3.809 0.000) 3.809 4.837 ( 0.000 2.783 0.000) 2.783 4.889 ( 0.000 3.960 0.000) 3.960 4.892 ( 0.000 1.722 0.000) 1.722 4.962 ( 0.000 3.606 0.000) 3.606 4.978 ( 0.000 -1.090 0.000) 1.090 5.009 ( 0.000 4.377 0.000) 4.377 5.015 ( 0.000 -1.208 0.000) 1.208 5.069 ( 0.000 2.383 0.000) 2.383 5.150 ( 0.000 -4.721 0.000) 4.721 5.195 ( 0.000 -0.712 0.000) 0.712 5.250 ( 0.000 0.761 0.000) 0.761 5.318 ( 0.000 -1.943 0.000) 1.943 5.406 ( 0.000 -1.153 0.000) 1.153 5.419 ( 0.000 -2.745 0.000) 2.745 5.420 ( 0.000 -2.435 0.000) 2.435 5.587 ( 0.000 0.084 0.000) 0.084 5.607 ( 0.000 -0.699 0.000) 0.699 5.753 ( 0.000 -4.905 0.000) 4.905 5.762 ( 0.000 0.133 0.000) 0.133 ======================= Grid point 16 (11/63) ======================= q-point: ( 0.20 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.894 ( 0.336 8.132 0.000) 8.139 0.969 ( -1.490 0.257 0.000) 1.512 0.984 ( 1.499 4.022 0.000) 4.293 1.009 ( -1.777 5.957 0.000) 6.216 1.103 ( 1.118 10.150 0.000) 10.212 1.193 ( 2.131 4.383 0.000) 4.873 1.209 ( -0.891 4.109 0.000) 4.204 1.249 ( -1.013 1.784 0.000) 2.051 1.253 ( 0.834 -0.297 0.000) 0.885 1.309 ( 3.800 5.302 0.000) 6.523 1.409 ( 10.391 3.765 0.000) 11.052 1.482 ( 3.134 6.841 0.000) 7.524 1.576 ( 0.003 0.146 0.000) 0.146 1.633 ( 5.668 10.234 0.000) 11.699 1.768 ( 0.683 7.638 0.000) 7.669 1.825 ( -0.284 5.248 0.000) 5.255 1.839 ( 7.043 4.711 0.000) 8.473 1.898 ( 3.562 7.955 0.000) 8.716 2.205 ( -1.056 0.052 0.000) 1.057 2.233 ( -0.596 6.100 0.000) 6.129 2.264 ( -0.769 7.295 0.000) 7.335 2.313 ( -0.121 0.044 0.000) 0.129 2.352 ( -2.049 -1.762 0.000) 2.702 2.404 ( -2.094 3.049 0.000) 3.698 2.416 ( 3.114 4.510 0.000) 5.480 2.480 ( 0.936 5.401 0.000) 5.482 2.481 ( -0.407 2.905 0.000) 2.933 2.506 ( 2.534 2.795 0.000) 3.773 2.547 ( 1.986 7.641 0.000) 7.895 2.587 ( 2.985 0.334 0.000) 3.003 2.646 ( 0.249 4.856 0.000) 4.862 2.657 ( -0.721 6.516 0.000) 6.556 2.718 ( -0.510 -1.305 0.000) 1.401 2.730 ( 0.187 9.533 0.000) 9.535 3.293 ( -14.089 -1.177 0.000) 14.138 3.319 ( -13.689 -3.548 0.000) 14.141 3.875 ( 2.608 1.347 0.000) 2.936 3.966 ( 0.489 3.389 0.000) 3.424 3.973 ( -1.215 3.450 0.000) 3.658 4.088 ( -2.320 1.756 0.000) 2.909 4.131 ( -2.854 1.108 0.000) 3.061 4.135 ( -1.807 1.569 0.000) 2.393 4.185 ( -0.778 2.701 0.000) 2.811 4.226 ( -1.491 4.503 0.000) 4.743 4.316 ( 1.938 -1.434 0.000) 2.411 4.339 ( 1.476 -2.803 0.000) 3.168 4.369 ( 1.717 3.639 0.000) 4.023 4.371 ( -0.178 -0.218 0.000) 0.281 4.394 ( 1.067 0.769 0.000) 1.315 4.409 ( 4.283 -2.290 0.000) 4.857 4.446 ( -0.231 -1.100 0.000) 1.124 4.773 ( -5.249 -0.815 0.000) 5.312 4.780 ( 0.180 -0.486 0.000) 0.519 4.835 ( -0.093 2.518 0.000) 2.519 4.848 ( -1.932 -0.473 0.000) 1.989 4.911 ( -2.431 0.057 0.000) 2.432 4.928 ( 0.271 2.405 0.000) 2.420 4.951 ( -0.933 3.247 0.000) 3.378 4.990 ( -2.012 2.663 0.000) 3.338 5.008 ( 0.001 4.719 0.000) 4.719 5.132 ( 5.832 -1.736 0.000) 6.085 5.184 ( -0.734 -0.658 0.000) 0.986 5.225 ( 2.261 0.235 0.000) 2.273 5.292 ( 5.755 -3.664 0.000) 6.822 5.330 ( 0.574 -2.189 0.000) 2.263 5.422 ( 0.540 -2.571 0.000) 2.628 5.433 ( 1.869 -1.711 0.000) 2.534 5.451 ( 3.015 -2.335 0.000) 3.814 5.590 ( 0.169 -0.192 0.000) 0.256 5.604 ( -0.312 -0.721 0.000) 0.786 5.746 ( -0.550 -4.079 0.000) 4.116 5.756 ( -0.556 -0.045 0.000) 0.558 ======================= Grid point 17 (12/63) ======================= q-point: ( 0.40 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.892 ( 0.317 8.479 0.000) 8.485 0.922 ( -2.624 6.360 0.000) 6.880 0.990 ( -0.056 4.069 0.000) 4.069 0.994 ( -0.194 3.481 0.000) 3.486 1.136 ( 1.958 5.453 0.000) 5.794 1.176 ( -2.221 3.438 0.000) 4.093 1.224 ( 0.800 3.340 0.000) 3.435 1.234 ( -0.482 2.389 0.000) 2.437 1.290 ( 2.937 3.712 0.000) 4.733 1.336 ( -1.028 5.663 0.000) 5.756 1.541 ( 2.610 4.285 0.000) 5.017 1.545 ( 2.020 4.837 0.000) 5.241 1.594 ( 2.862 2.207 0.000) 3.614 1.681 ( -4.502 4.240 0.000) 6.185 1.748 ( 3.380 6.414 0.000) 7.250 1.805 ( -1.968 5.379 0.000) 5.728 2.076 ( 12.605 6.600 0.000) 14.229 2.111 ( 12.280 6.434 0.000) 13.864 2.211 ( -3.839 6.654 0.000) 7.682 2.221 ( -1.430 3.863 0.000) 4.119 2.223 ( 4.318 0.441 0.000) 4.341 2.298 ( -0.106 0.714 0.000) 0.722 2.320 ( -2.801 0.787 0.000) 2.910 2.354 ( -3.530 0.847 0.000) 3.630 2.460 ( -0.876 8.463 0.000) 8.508 2.467 ( -1.051 10.350 0.000) 10.403 2.512 ( 5.323 8.393 0.000) 9.939 2.568 ( -0.446 7.725 0.000) 7.738 2.594 ( 4.371 2.242 0.000) 4.912 2.638 ( -1.181 5.719 0.000) 5.840 2.663 ( 3.896 1.926 0.000) 4.346 2.686 ( 7.615 -5.006 0.000) 9.113 2.706 ( -0.814 1.568 0.000) 1.767 2.750 ( 3.354 5.538 0.000) 6.474 2.958 ( -18.320 -1.809 0.000) 18.409 2.987 ( -18.581 -2.831 0.000) 18.796 3.942 ( 3.883 1.431 0.000) 4.138 3.962 ( 0.083 3.788 0.000) 3.789 3.971 ( 0.006 3.274 0.000) 3.274 4.024 ( -3.956 0.911 0.000) 4.060 4.091 ( -0.801 -0.153 0.000) 0.815 4.101 ( -1.473 0.068 0.000) 1.475 4.178 ( 0.292 3.151 0.000) 3.164 4.196 ( -1.431 3.383 0.000) 3.673 4.350 ( 1.170 -1.956 0.000) 2.279 4.365 ( -0.510 -1.911 0.000) 1.978 4.371 ( 1.900 -0.055 0.000) 1.900 4.400 ( -0.743 0.722 0.000) 1.036 4.408 ( 1.894 3.876 0.000) 4.314 4.435 ( -0.917 2.732 0.000) 2.881 4.513 ( 6.318 -0.810 0.000) 6.370 4.646 ( -7.182 0.413 0.000) 7.194 4.789 ( 0.839 -1.438 0.000) 1.665 4.813 ( -1.611 -2.131 0.000) 2.671 4.839 ( 0.709 1.860 0.000) 1.991 4.866 ( -2.009 1.030 0.000) 2.257 4.928 ( -0.067 2.378 0.000) 2.379 4.935 ( -0.676 2.732 0.000) 2.814 4.987 ( 1.001 4.427 0.000) 4.539 5.005 ( -0.545 4.964 0.000) 4.994 5.177 ( 0.140 -0.085 0.000) 0.164 5.184 ( -0.114 0.629 0.000) 0.639 5.292 ( 3.917 -2.930 0.000) 4.892 5.330 ( -0.609 -2.716 0.000) 2.783 5.391 ( 3.793 -2.377 0.000) 4.476 5.446 ( -1.213 -1.943 0.000) 2.291 5.460 ( 3.172 -3.788 0.000) 4.941 5.493 ( 0.472 -3.215 0.000) 3.250 5.592 ( 0.078 -0.543 0.000) 0.548 5.596 ( -0.428 -0.648 0.000) 0.777 5.739 ( -0.051 -2.203 0.000) 2.204 5.744 ( -0.521 -0.743 0.000) 0.908 ======================= Grid point 20 (13/63) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.958 ( 0.000 -1.422 0.000) 1.422 0.980 ( 0.000 1.471 0.000) 1.471 1.016 ( 0.000 0.979 0.000) 0.979 1.063 ( 0.000 -0.132 0.000) 0.132 1.225 ( 0.000 -0.929 0.000) 0.929 1.253 ( 0.000 -0.760 0.000) 0.760 1.283 ( 0.000 2.351 0.000) 2.351 1.285 ( 0.000 3.613 0.000) 3.613 1.295 ( 0.000 9.652 0.000) 9.652 1.383 ( 0.000 6.444 0.000) 6.444 1.404 ( 0.000 8.773 0.000) 8.773 1.578 ( 0.000 6.874 0.000) 6.874 1.630 ( 0.000 5.417 0.000) 5.417 1.704 ( 0.000 3.676 0.000) 3.676 1.831 ( 0.000 -0.208 0.000) 0.208 1.891 ( 0.000 5.679 0.000) 5.679 1.925 ( 0.000 4.365 0.000) 4.365 1.982 ( 0.000 2.659 0.000) 2.659 2.126 ( 0.000 -5.891 0.000) 5.891 2.176 ( 0.000 -10.435 0.000) 10.435 2.270 ( 0.000 -3.081 0.000) 3.081 2.307 ( 0.000 0.384 0.000) 0.384 2.349 ( 0.000 -3.362 0.000) 3.362 2.412 ( 0.000 -1.296 0.000) 1.296 2.464 ( 0.000 -2.341 0.000) 2.341 2.472 ( 0.000 -1.009 0.000) 1.009 2.591 ( 0.000 10.854 0.000) 10.854 2.656 ( 0.000 4.909 0.000) 4.909 2.690 ( 0.000 15.888 0.000) 15.888 2.718 ( 0.000 6.783 0.000) 6.783 2.763 ( 0.000 7.811 0.000) 7.811 2.795 ( 0.000 6.150 0.000) 6.150 2.858 ( 0.000 14.040 0.000) 14.040 2.934 ( 0.000 11.240 0.000) 11.240 3.389 ( 0.000 -2.936 0.000) 2.936 3.413 ( 0.000 -1.609 0.000) 1.609 3.909 ( 0.000 4.245 0.000) 4.245 4.028 ( 0.000 -1.072 0.000) 1.072 4.031 ( 0.000 3.790 0.000) 3.790 4.074 ( 0.000 -7.508 0.000) 7.508 4.179 ( 0.000 -0.470 0.000) 0.470 4.199 ( 0.000 0.950 0.000) 0.950 4.199 ( 0.000 0.686 0.000) 0.686 4.221 ( 0.000 0.047 0.000) 0.047 4.229 ( 0.000 -2.754 0.000) 2.754 4.280 ( 0.000 -1.571 0.000) 1.571 4.340 ( 0.000 3.648 0.000) 3.648 4.383 ( 0.000 3.637 0.000) 3.637 4.393 ( 0.000 -1.925 0.000) 1.925 4.470 ( 0.000 4.110 0.000) 4.110 4.486 ( 0.000 3.795 0.000) 3.795 4.750 ( 0.000 -3.552 0.000) 3.552 4.795 ( 0.000 1.801 0.000) 1.801 4.881 ( 0.000 1.984 0.000) 1.984 4.919 ( 0.000 1.200 0.000) 1.200 4.942 ( 0.000 0.439 0.000) 0.439 4.976 ( 0.000 1.578 0.000) 1.578 4.988 ( 0.000 -1.042 0.000) 1.042 5.028 ( 0.000 2.746 0.000) 2.746 5.069 ( 0.000 -3.451 0.000) 3.451 5.090 ( 0.000 3.615 0.000) 3.615 5.104 ( 0.000 0.483 0.000) 0.483 5.186 ( 0.000 -0.228 0.000) 0.228 5.267 ( 0.000 -3.235 0.000) 3.235 5.280 ( 0.000 1.970 0.000) 1.970 5.366 ( 0.000 -2.994 0.000) 2.994 5.375 ( 0.000 -1.631 0.000) 1.631 5.389 ( 0.000 -0.689 0.000) 0.689 5.600 ( 0.000 1.187 0.000) 1.187 5.604 ( 0.000 0.308 0.000) 0.308 5.689 ( 0.000 -1.920 0.000) 1.920 5.759 ( 0.000 -0.484 0.000) 0.484 ======================= Grid point 21 (14/63) ======================= q-point: ( 0.20 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.963 ( 0.434 -0.760 0.000) 0.875 0.986 ( 0.352 1.289 0.000) 1.337 1.026 ( 0.667 0.500 0.000) 0.833 1.059 ( -0.392 0.334 0.000) 0.515 1.229 ( 0.336 -0.461 0.000) 0.571 1.245 ( -1.150 -0.084 0.000) 1.153 1.267 ( -1.319 3.174 0.000) 3.437 1.280 ( -0.166 2.020 0.000) 2.027 1.327 ( 2.916 8.885 0.000) 9.351 1.430 ( 2.868 6.166 0.000) 6.801 1.537 ( 10.047 7.992 0.000) 12.838 1.594 ( 1.573 5.560 0.000) 5.779 1.637 ( 0.820 5.785 0.000) 5.843 1.771 ( 5.020 4.043 0.000) 6.446 1.819 ( -1.436 0.529 0.000) 1.530 1.920 ( -0.513 4.247 0.000) 4.278 1.931 ( 5.643 4.513 0.000) 7.226 1.999 ( 5.574 2.547 0.000) 6.128 2.153 ( 1.656 -4.426 0.000) 4.726 2.185 ( 1.265 -8.934 0.000) 9.023 2.256 ( -1.318 -3.091 0.000) 3.361 2.307 ( -3.601 -2.903 0.000) 4.625 2.317 ( 0.537 -0.231 0.000) 0.585 2.438 ( -2.297 -1.155 0.000) 2.571 2.445 ( 3.585 -2.044 0.000) 4.127 2.487 ( 1.880 -1.989 0.000) 2.738 2.614 ( 1.771 9.197 0.000) 9.366 2.673 ( 1.578 5.833 0.000) 6.042 2.690 ( -0.426 10.820 0.000) 10.829 2.724 ( 0.862 10.239 0.000) 10.276 2.779 ( 1.477 7.642 0.000) 7.783 2.793 ( -0.168 7.414 0.000) 7.416 2.840 ( -1.803 13.298 0.000) 13.420 2.928 ( -0.696 11.371 0.000) 11.393 3.251 ( -13.655 -2.465 0.000) 13.876 3.279 ( -12.977 -1.313 0.000) 13.044 3.924 ( 1.518 3.487 0.000) 3.803 4.016 ( -0.635 -0.415 0.000) 0.759 4.035 ( 0.403 3.184 0.000) 3.210 4.054 ( -1.788 -5.285 0.000) 5.579 4.123 ( -2.893 -1.261 0.000) 3.156 4.133 ( -4.152 0.238 0.000) 4.158 4.217 ( 0.016 0.433 0.000) 0.433 4.221 ( -0.700 1.154 0.000) 1.350 4.281 ( 3.859 -1.981 0.000) 4.338 4.316 ( 1.931 -1.414 0.000) 2.394 4.355 ( 1.219 3.209 0.000) 3.433 4.397 ( 0.340 -1.035 0.000) 1.089 4.412 ( 2.433 2.658 0.000) 3.604 4.480 ( 1.419 3.716 0.000) 3.978 4.499 ( 0.906 3.333 0.000) 3.453 4.726 ( -2.728 -3.130 0.000) 4.152 4.787 ( -0.593 1.398 0.000) 1.519 4.858 ( -4.477 0.619 0.000) 4.520 4.876 ( -0.431 1.866 0.000) 1.915 4.914 ( -1.657 0.395 0.000) 1.703 4.963 ( -0.104 1.042 0.000) 1.047 5.009 ( -1.565 2.379 0.000) 2.848 5.029 ( 0.699 1.320 0.000) 1.494 5.093 ( 0.164 3.569 0.000) 3.572 5.099 ( 5.541 -1.318 0.000) 5.696 5.179 ( -0.355 0.073 0.000) 0.362 5.214 ( 7.554 -2.343 0.000) 7.909 5.270 ( -0.958 1.610 0.000) 1.874 5.273 ( 0.242 -3.400 0.000) 3.409 5.371 ( 0.675 -2.670 0.000) 2.754 5.408 ( 2.352 -1.023 0.000) 2.564 5.415 ( 2.198 -1.270 0.000) 2.539 5.599 ( -0.134 1.075 0.000) 1.083 5.601 ( -0.256 0.361 0.000) 0.443 5.695 ( 0.589 -1.533 0.000) 1.642 5.751 ( -0.733 -0.475 0.000) 0.874 ======================= Grid point 22 (15/63) ======================= q-point: ( 0.40 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.975 ( 0.767 0.552 0.000) 0.944 0.987 ( -0.316 1.431 0.000) 1.465 1.036 ( 0.498 0.674 0.000) 0.839 1.048 ( -0.701 1.010 0.000) 1.229 1.222 ( -0.755 1.251 0.000) 1.461 1.225 ( -0.811 2.324 0.000) 2.461 1.257 ( 0.567 -0.074 0.000) 0.572 1.272 ( -0.706 0.873 0.000) 1.123 1.394 ( 3.501 7.453 0.000) 8.234 1.444 ( -1.301 5.977 0.000) 6.117 1.632 ( 1.945 3.761 0.000) 4.234 1.647 ( 1.199 5.492 0.000) 5.621 1.667 ( 2.524 5.679 0.000) 6.215 1.736 ( -4.269 2.621 0.000) 5.009 1.862 ( 2.728 5.073 0.000) 5.760 1.902 ( -1.480 4.365 0.000) 4.609 2.121 ( 9.310 -1.212 0.000) 9.388 2.179 ( 3.106 -1.924 0.000) 3.654 2.219 ( -2.786 -4.531 0.000) 5.319 2.227 ( 8.727 -0.171 0.000) 8.729 2.233 ( -3.403 -2.351 0.000) 4.136 2.239 ( 7.459 -0.898 0.000) 7.513 2.310 ( -1.842 -0.019 0.000) 1.843 2.379 ( -4.192 0.421 0.000) 4.214 2.569 ( 10.419 -2.527 0.000) 10.721 2.588 ( 10.649 -3.392 0.000) 11.177 2.646 ( 1.496 7.095 0.000) 7.251 2.672 ( -1.195 7.014 0.000) 7.115 2.706 ( 1.152 9.016 0.000) 9.090 2.744 ( 0.804 10.819 0.000) 10.849 2.783 ( -0.895 6.364 0.000) 6.427 2.800 ( -1.608 7.474 0.000) 7.645 2.800 ( -1.786 11.236 0.000) 11.377 2.908 ( -1.067 11.056 0.000) 11.107 2.912 ( -19.615 -1.856 0.000) 19.703 2.980 ( -13.899 2.495 0.000) 14.122 3.964 ( 2.425 1.215 0.000) 2.713 4.012 ( -2.193 -2.378 0.000) 3.235 4.021 ( 0.956 0.694 0.000) 1.181 4.048 ( 1.011 1.524 0.000) 1.829 4.062 ( -3.035 0.630 0.000) 3.100 4.076 ( -1.912 -0.108 0.000) 1.915 4.213 ( -0.043 1.215 0.000) 1.215 4.215 ( -0.173 0.740 0.000) 0.760 4.329 ( 0.829 -0.650 0.000) 1.054 4.333 ( 0.129 -0.728 0.000) 0.739 4.379 ( 1.451 0.948 0.000) 1.733 4.399 ( -0.369 -0.161 0.000) 0.403 4.469 ( 2.995 2.243 0.000) 3.742 4.504 ( -0.588 2.897 0.000) 2.956 4.535 ( 4.422 1.897 0.000) 4.812 4.641 ( -5.718 -1.048 0.000) 5.814 4.780 ( 0.051 0.603 0.000) 0.605 4.796 ( -1.797 0.266 0.000) 1.817 4.871 ( 0.097 1.536 0.000) 1.539 4.884 ( -1.256 0.990 0.000) 1.599 4.963 ( 0.410 1.194 0.000) 1.263 4.980 ( -1.291 1.773 0.000) 2.193 5.056 ( 1.734 2.387 0.000) 2.951 5.085 ( -1.082 2.965 0.000) 3.156 5.184 ( 0.948 0.694 0.000) 1.175 5.189 ( 2.008 -0.547 0.000) 2.081 5.256 ( 0.277 -0.610 0.000) 0.670 5.271 ( -0.506 -3.008 0.000) 3.050 5.348 ( 5.563 -1.800 0.000) 5.847 5.402 ( 2.732 -2.340 0.000) 3.598 5.419 ( -1.582 -1.016 0.000) 1.880 5.443 ( -0.359 -2.034 0.000) 2.065 5.596 ( -0.168 0.650 0.000) 0.671 5.596 ( -0.140 0.815 0.000) 0.827 5.712 ( 1.098 -0.879 0.000) 1.407 5.733 ( -1.082 -0.555 0.000) 1.217 ======================= Grid point 25 (16/63) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.933 ( 0.000 -0.967 0.000) 0.967 0.956 ( 0.000 -2.798 0.000) 2.798 1.007 ( 0.000 -1.757 0.000) 1.757 1.031 ( 0.000 -2.810 0.000) 2.810 1.204 ( 0.000 -1.315 0.000) 1.315 1.241 ( 0.000 -0.818 0.000) 0.818 1.271 ( 0.000 -3.275 0.000) 3.275 1.286 ( 0.000 -2.279 0.000) 2.279 1.502 ( 0.000 5.713 0.000) 5.713 1.508 ( 0.000 11.789 0.000) 11.789 1.552 ( 0.000 6.026 0.000) 6.026 1.709 ( 0.000 6.325 0.000) 6.325 1.737 ( 0.000 0.308 0.000) 0.308 1.763 ( 0.000 7.035 0.000) 7.035 1.800 ( 0.000 -2.295 0.000) 2.295 1.980 ( 0.000 3.055 0.000) 3.055 1.981 ( 0.000 1.133 0.000) 1.133 1.995 ( 0.000 -3.561 0.000) 3.561 2.024 ( 0.000 -3.860 0.000) 3.860 2.037 ( 0.000 -0.684 0.000) 0.684 2.179 ( 0.000 -5.923 0.000) 5.923 2.244 ( 0.000 -6.924 0.000) 6.924 2.311 ( 0.000 0.209 0.000) 0.209 2.395 ( 0.000 -3.218 0.000) 3.218 2.396 ( 0.000 -0.281 0.000) 0.281 2.444 ( 0.000 -1.577 0.000) 1.577 2.755 ( 0.000 5.210 0.000) 5.210 2.807 ( 0.000 10.563 0.000) 10.563 2.831 ( 0.000 5.050 0.000) 5.050 2.886 ( 0.000 2.982 0.000) 2.982 2.892 ( 0.000 5.219 0.000) 5.219 2.929 ( 0.000 7.679 0.000) 7.679 3.099 ( 0.000 10.207 0.000) 10.207 3.167 ( 0.000 10.840 0.000) 10.840 3.347 ( 0.000 -1.479 0.000) 1.479 3.377 ( 0.000 -1.907 0.000) 1.907 3.935 ( 0.000 -5.412 0.000) 5.412 3.954 ( 0.000 -4.820 0.000) 4.820 3.998 ( 0.000 4.545 0.000) 4.545 4.091 ( 0.000 2.056 0.000) 2.056 4.203 ( 0.000 1.709 0.000) 1.709 4.214 ( 0.000 1.939 0.000) 1.939 4.218 ( 0.000 1.370 0.000) 1.370 4.237 ( 0.000 2.336 0.000) 2.336 4.242 ( 0.000 1.666 0.000) 1.666 4.289 ( 0.000 1.637 0.000) 1.637 4.375 ( 0.000 -0.037 0.000) 0.037 4.385 ( 0.000 1.112 0.000) 1.112 4.441 ( 0.000 2.348 0.000) 2.348 4.515 ( 0.000 0.738 0.000) 0.738 4.530 ( 0.000 1.026 0.000) 1.026 4.675 ( 0.000 -4.563 0.000) 4.563 4.847 ( 0.000 3.382 0.000) 3.382 4.914 ( 0.000 1.368 0.000) 1.368 4.938 ( 0.000 0.054 0.000) 0.054 4.945 ( 0.000 1.585 0.000) 1.585 4.978 ( 0.000 -0.077 0.000) 0.077 5.006 ( 0.000 0.792 0.000) 0.792 5.024 ( 0.000 -1.211 0.000) 1.211 5.059 ( 0.000 0.612 0.000) 0.612 5.089 ( 0.000 -1.751 0.000) 1.751 5.138 ( 0.000 0.979 0.000) 0.979 5.188 ( 0.000 0.400 0.000) 0.400 5.204 ( 0.000 -2.657 0.000) 2.657 5.302 ( 0.000 -0.067 0.000) 0.067 5.310 ( 0.000 -2.556 0.000) 2.556 5.355 ( 0.000 -0.444 0.000) 0.444 5.377 ( 0.000 -0.615 0.000) 0.615 5.617 ( 0.000 0.936 0.000) 0.936 5.631 ( 0.000 1.932 0.000) 1.932 5.666 ( 0.000 -0.758 0.000) 0.758 5.742 ( 0.000 -1.289 0.000) 1.289 ======================= Grid point 26 (17/63) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.946 ( 1.206 -0.701 0.000) 1.395 0.963 ( 0.647 -2.692 0.000) 2.769 1.012 ( 0.458 -1.839 0.000) 1.895 1.034 ( 0.178 -2.572 0.000) 2.578 1.205 ( 0.210 -1.653 0.000) 1.667 1.235 ( -0.746 -1.050 0.000) 1.288 1.258 ( -1.206 -2.884 0.000) 3.126 1.277 ( -0.936 -2.356 0.000) 2.535 1.526 ( 1.633 10.958 0.000) 11.079 1.547 ( 2.621 5.872 0.000) 6.430 1.667 ( 7.207 4.491 0.000) 8.492 1.704 ( -0.395 5.749 0.000) 5.763 1.767 ( 0.573 6.441 0.000) 6.466 1.797 ( 3.210 0.181 0.000) 3.215 1.833 ( 5.548 0.179 0.000) 5.551 1.976 ( -0.431 1.236 0.000) 1.309 1.982 ( 1.303 -0.134 0.000) 1.310 2.031 ( 6.984 1.339 0.000) 7.112 2.051 ( 2.910 -2.385 0.000) 3.763 2.083 ( 4.550 -2.984 0.000) 5.441 2.156 ( -2.395 -6.383 0.000) 6.817 2.213 ( -2.809 -6.351 0.000) 6.944 2.317 ( 0.641 0.401 0.000) 0.756 2.394 ( -0.238 -2.304 0.000) 2.316 2.411 ( 1.810 -1.305 0.000) 2.231 2.445 ( 0.394 -2.142 0.000) 2.177 2.739 ( -0.572 5.177 0.000) 5.208 2.815 ( -1.529 5.066 0.000) 5.292 2.856 ( 3.679 10.289 0.000) 10.927 2.868 ( -0.822 2.704 0.000) 2.827 2.890 ( -0.302 4.486 0.000) 4.496 2.965 ( 1.752 7.574 0.000) 7.774 3.077 ( -2.197 10.601 0.000) 10.826 3.162 ( -0.675 10.528 0.000) 10.549 3.214 ( -13.046 -1.274 0.000) 13.108 3.254 ( -11.453 -1.253 0.000) 11.521 3.938 ( 0.518 -4.372 0.000) 4.402 3.960 ( 0.690 -4.204 0.000) 4.260 3.997 ( -0.205 3.680 0.000) 3.686 4.069 ( -2.213 0.815 0.000) 2.358 4.161 ( -1.807 3.863 0.000) 4.265 4.181 ( -2.027 4.221 0.000) 4.683 4.240 ( 0.591 1.241 0.000) 1.374 4.247 ( 0.152 1.853 0.000) 1.859 4.275 ( 2.947 0.691 0.000) 3.027 4.311 ( 1.487 0.590 0.000) 1.599 4.382 ( 0.315 -0.392 0.000) 0.503 4.393 ( 0.550 0.729 0.000) 0.914 4.456 ( 1.457 1.801 0.000) 2.317 4.521 ( 0.964 0.665 0.000) 1.171 4.538 ( 0.504 0.831 0.000) 0.972 4.656 ( -1.928 -4.236 0.000) 4.653 4.833 ( -1.233 3.126 0.000) 3.360 4.871 ( -3.800 1.013 0.000) 3.932 4.906 ( -0.647 1.219 0.000) 1.380 4.928 ( -1.548 0.937 0.000) 1.809 4.972 ( -0.129 0.268 0.000) 0.298 5.038 ( -1.769 0.794 0.000) 1.939 5.040 ( 1.809 -0.293 0.000) 1.832 5.089 ( 5.373 0.314 0.000) 5.383 5.134 ( -0.590 0.246 0.000) 0.640 5.167 ( 6.515 -2.340 0.000) 6.923 5.186 ( 0.105 0.621 0.000) 0.630 5.213 ( 0.695 -2.221 0.000) 2.327 5.289 ( -0.705 -0.122 0.000) 0.715 5.324 ( 1.151 -2.091 0.000) 2.387 5.391 ( 2.601 -0.631 0.000) 2.676 5.400 ( 1.615 -0.557 0.000) 1.709 5.616 ( -0.041 1.082 0.000) 1.083 5.628 ( -0.290 1.861 0.000) 1.884 5.675 ( 0.870 -0.764 0.000) 1.158 5.735 ( -0.662 -1.226 0.000) 1.393 ======================= Grid point 27 (18/63) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.970 ( 1.004 -0.713 0.000) 1.231 0.976 ( 0.429 -1.883 0.000) 1.932 1.022 ( 0.515 -1.846 0.000) 1.917 1.032 ( -0.426 -2.174 0.000) 2.216 1.214 ( 0.505 -2.280 0.000) 2.336 1.219 ( -0.547 -1.452 0.000) 1.552 1.237 ( -0.447 -2.057 0.000) 2.105 1.252 ( -1.454 -2.435 0.000) 2.836 1.559 ( 1.463 9.041 0.000) 9.158 1.573 ( 0.190 7.039 0.000) 7.042 1.701 ( 0.215 3.828 0.000) 3.834 1.709 ( -0.394 1.747 0.000) 1.791 1.786 ( 1.366 5.438 0.000) 5.607 1.814 ( -1.123 4.123 0.000) 4.274 1.932 ( 2.824 1.184 0.000) 3.063 1.963 ( -0.962 1.453 0.000) 1.743 2.024 ( 2.995 -4.681 0.000) 5.558 2.092 ( -3.819 -6.661 0.000) 7.678 2.106 ( 2.506 -4.302 0.000) 4.978 2.156 ( -2.804 -5.278 0.000) 5.976 2.254 ( 9.288 3.285 0.000) 9.852 2.289 ( 11.934 3.377 0.000) 12.403 2.327 ( -0.242 1.345 0.000) 1.367 2.379 ( -1.497 -0.163 0.000) 1.506 2.499 ( 10.314 -4.212 0.000) 11.141 2.520 ( 11.427 -3.796 0.000) 12.041 2.740 ( -0.139 4.161 0.000) 4.163 2.780 ( -1.802 4.848 0.000) 5.172 2.833 ( -11.731 0.539 0.000) 11.743 2.848 ( -16.444 -0.845 0.000) 16.465 2.878 ( -3.109 2.789 0.000) 4.177 2.880 ( -0.655 3.168 0.000) 3.235 2.964 ( -0.449 9.084 0.000) 9.095 3.021 ( -3.365 11.075 0.000) 11.575 3.107 ( 0.038 7.703 0.000) 7.703 3.138 ( -1.762 9.999 0.000) 10.153 3.958 ( 1.478 -2.264 0.000) 2.704 3.981 ( 1.425 -2.402 0.000) 2.793 3.986 ( -1.046 1.000 0.000) 1.447 4.019 ( -2.540 -0.857 0.000) 2.681 4.142 ( -0.207 4.954 0.000) 4.958 4.151 ( -1.069 5.228 0.000) 5.336 4.252 ( 0.542 2.602 0.000) 2.658 4.254 ( 0.373 2.987 0.000) 3.010 4.318 ( 1.049 -0.562 0.000) 1.190 4.324 ( 0.031 -0.391 0.000) 0.392 4.385 ( 0.492 -0.612 0.000) 0.785 4.397 ( -0.278 -0.127 0.000) 0.305 4.498 ( 2.610 0.733 0.000) 2.711 4.536 ( -0.992 0.438 0.000) 1.085 4.554 ( 2.258 -0.096 0.000) 2.260 4.606 ( -2.974 -2.429 0.000) 3.840 4.812 ( -0.662 2.535 0.000) 2.620 4.818 ( -1.505 1.940 0.000) 2.455 4.896 ( -0.235 0.941 0.000) 0.969 4.902 ( -0.916 0.733 0.000) 1.174 4.979 ( 0.839 0.708 0.000) 1.097 5.004 ( -1.644 0.895 0.000) 1.872 5.077 ( 1.960 -0.290 0.000) 1.982 5.112 ( -1.578 -0.380 0.000) 1.623 5.178 ( 2.834 -0.133 0.000) 2.838 5.195 ( 0.442 0.290 0.000) 0.529 5.226 ( 0.689 -1.376 0.000) 1.539 5.241 ( -0.331 -1.314 0.000) 1.355 5.328 ( 5.289 -0.456 0.000) 5.308 5.364 ( 3.128 -1.697 0.000) 3.558 5.404 ( -1.831 -0.590 0.000) 1.923 5.413 ( -0.902 -1.074 0.000) 1.403 5.617 ( 0.139 1.419 0.000) 1.426 5.621 ( -0.345 1.689 0.000) 1.724 5.696 ( 1.211 -0.872 0.000) 1.493 5.718 ( -1.039 -1.070 0.000) 1.491 ======================= Grid point 30 (19/63) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.916 ( 0.000 -0.359 0.000) 0.359 0.931 ( 0.000 0.998 0.000) 0.998 0.952 ( 0.000 -3.363 0.000) 3.363 0.971 ( 0.000 -2.922 0.000) 2.922 1.183 ( 0.000 -0.336 0.000) 0.336 1.206 ( 0.000 -2.705 0.000) 2.705 1.223 ( 0.000 -0.712 0.000) 0.712 1.232 ( 0.000 -2.008 0.000) 2.008 1.594 ( 0.000 3.501 0.000) 3.501 1.622 ( 0.000 1.014 0.000) 1.014 1.725 ( 0.000 9.761 0.000) 9.761 1.737 ( 0.000 0.269 0.000) 0.269 1.758 ( 0.000 -1.824 0.000) 1.824 1.815 ( 0.000 2.746 0.000) 2.746 1.862 ( 0.000 3.743 0.000) 3.743 1.950 ( 0.000 -0.442 0.000) 0.442 1.955 ( 0.000 -4.069 0.000) 4.069 1.963 ( 0.000 -1.619 0.000) 1.619 2.031 ( 0.000 1.385 0.000) 1.385 2.044 ( 0.000 0.064 0.000) 0.064 2.082 ( 0.000 -2.646 0.000) 2.646 2.108 ( 0.000 -5.528 0.000) 5.528 2.324 ( 0.000 1.060 0.000) 1.060 2.350 ( 0.000 -1.663 0.000) 1.663 2.399 ( 0.000 0.566 0.000) 0.566 2.416 ( 0.000 -1.182 0.000) 1.182 2.849 ( 0.000 4.164 0.000) 4.164 2.903 ( 0.000 -1.089 0.000) 1.089 2.909 ( 0.000 2.866 0.000) 2.866 2.937 ( 0.000 0.110 0.000) 0.110 2.974 ( 0.000 5.939 0.000) 5.939 3.021 ( 0.000 1.294 0.000) 1.294 3.247 ( 0.000 5.121 0.000) 5.121 3.288 ( 0.000 1.528 0.000) 1.528 3.332 ( 0.000 -0.025 0.000) 0.025 3.345 ( 0.000 -1.296 0.000) 1.296 3.873 ( 0.000 -1.219 0.000) 1.219 3.883 ( 0.000 -2.200 0.000) 2.200 4.073 ( 0.000 2.994 0.000) 2.994 4.107 ( 0.000 -0.438 0.000) 0.438 4.232 ( 0.000 1.146 0.000) 1.146 4.241 ( 0.000 0.403 0.000) 0.403 4.247 ( 0.000 1.319 0.000) 1.319 4.262 ( 0.000 -0.100 0.000) 0.100 4.287 ( 0.000 3.053 0.000) 3.053 4.346 ( 0.000 -2.644 0.000) 2.644 4.367 ( 0.000 5.669 0.000) 5.669 4.420 ( 0.000 1.180 0.000) 1.180 4.479 ( 0.000 1.747 0.000) 1.747 4.509 ( 0.000 -1.151 0.000) 1.151 4.535 ( 0.000 -0.110 0.000) 0.110 4.576 ( 0.000 -4.951 0.000) 4.951 4.909 ( 0.000 2.490 0.000) 2.490 4.930 ( 0.000 0.146 0.000) 0.146 4.957 ( 0.000 1.688 0.000) 1.688 4.976 ( 0.000 0.274 0.000) 0.274 4.980 ( 0.000 1.263 0.000) 1.263 5.004 ( 0.000 -0.594 0.000) 0.594 5.016 ( 0.000 0.139 0.000) 0.139 5.046 ( 0.000 -2.491 0.000) 2.491 5.069 ( 0.000 0.977 0.000) 0.977 5.109 ( 0.000 -2.832 0.000) 2.832 5.191 ( 0.000 0.429 0.000) 0.429 5.195 ( 0.000 0.154 0.000) 0.154 5.276 ( 0.000 -0.736 0.000) 0.736 5.284 ( 0.000 -1.250 0.000) 1.250 5.355 ( 0.000 0.298 0.000) 0.298 5.364 ( 0.000 -0.636 0.000) 0.636 5.636 ( 0.000 0.978 0.000) 0.978 5.653 ( 0.000 -0.739 0.000) 0.739 5.671 ( 0.000 2.135 0.000) 2.135 5.711 ( 0.000 -1.887 0.000) 1.887 ======================= Grid point 31 (20/63) ======================= q-point: ( 0.20 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.924 ( 0.803 -0.407 0.000) 0.900 0.945 ( 1.136 0.787 0.000) 1.382 0.958 ( 0.589 -3.269 0.000) 3.322 0.979 ( 0.593 -2.622 0.000) 2.688 1.179 ( -0.307 -0.513 0.000) 0.598 1.198 ( -0.600 -2.499 0.000) 2.570 1.213 ( -0.968 -0.642 0.000) 1.161 1.226 ( -0.735 -1.989 0.000) 2.121 1.647 ( 3.261 4.166 0.000) 5.291 1.697 ( 3.408 -0.862 0.000) 3.515 1.726 ( 0.002 8.916 0.000) 8.916 1.805 ( 6.291 0.274 0.000) 6.297 1.809 ( -0.783 3.271 0.000) 3.363 1.816 ( 4.381 -1.111 0.000) 4.520 1.849 ( -0.880 2.700 0.000) 2.839 1.947 ( -0.914 -4.579 0.000) 4.669 1.991 ( 4.536 1.701 0.000) 4.844 2.027 ( 5.538 -1.544 0.000) 5.750 2.047 ( 4.493 0.665 0.000) 4.542 2.060 ( 5.257 -0.299 0.000) 5.266 2.065 ( -1.607 -1.849 0.000) 2.450 2.091 ( -1.562 -4.891 0.000) 5.134 2.333 ( 0.886 1.133 0.000) 1.438 2.359 ( 0.716 -1.511 0.000) 1.672 2.398 ( -0.088 -0.020 0.000) 0.090 2.410 ( -0.536 -1.320 0.000) 1.425 2.829 ( -1.081 3.989 0.000) 4.133 2.882 ( -1.253 -1.148 0.000) 1.700 2.894 ( -1.445 3.005 0.000) 3.334 2.926 ( -1.081 -0.169 0.000) 1.094 3.016 ( 2.515 5.406 0.000) 5.963 3.053 ( 0.385 1.398 0.000) 1.450 3.206 ( -11.643 0.563 0.000) 11.657 3.230 ( -9.508 -1.395 0.000) 9.610 3.233 ( -1.473 5.466 0.000) 5.661 3.278 ( -1.072 1.363 0.000) 1.734 3.889 ( 1.721 -0.818 0.000) 1.905 3.900 ( 1.761 -1.896 0.000) 2.588 4.057 ( -1.773 2.297 0.000) 2.902 4.079 ( -2.707 -0.030 0.000) 2.707 4.235 ( 0.277 3.023 0.000) 3.036 4.251 ( 0.149 2.231 0.000) 2.236 4.257 ( 1.502 0.329 0.000) 1.538 4.271 ( 0.837 0.024 0.000) 0.837 4.296 ( 0.867 1.691 0.000) 1.900 4.347 ( -0.055 -2.880 0.000) 2.880 4.356 ( -0.879 4.259 0.000) 4.349 4.412 ( -0.927 0.001 0.000) 0.927 4.486 ( 0.778 1.498 0.000) 1.688 4.513 ( 0.725 -1.182 0.000) 1.387 4.539 ( 0.221 -0.135 0.000) 0.259 4.571 ( -0.446 -3.731 0.000) 3.757 4.893 ( -1.412 2.573 0.000) 2.935 4.903 ( -2.817 2.102 0.000) 3.514 4.919 ( -1.017 -0.136 0.000) 1.026 4.934 ( -2.301 -0.731 0.000) 2.414 4.987 ( 0.450 1.490 0.000) 1.557 5.021 ( 1.171 -1.609 0.000) 1.990 5.054 ( -1.300 1.354 0.000) 1.877 5.099 ( -0.988 -2.898 0.000) 3.062 5.102 ( 5.820 0.905 0.000) 5.890 5.127 ( 6.302 -1.720 0.000) 6.532 5.197 ( 0.341 0.367 0.000) 0.501 5.199 ( 0.568 0.051 0.000) 0.571 5.278 ( 0.471 -0.315 0.000) 0.567 5.289 ( 0.889 -1.389 0.000) 1.649 5.385 ( 2.183 0.023 0.000) 2.183 5.390 ( 1.812 -0.432 0.000) 1.863 5.639 ( 0.290 1.189 0.000) 1.224 5.659 ( 0.656 -0.928 0.000) 1.137 5.667 ( -0.415 2.072 0.000) 2.113 5.705 ( -0.536 -1.823 0.000) 1.900 ======================= Grid point 32 (21/63) ======================= q-point: ( 0.40 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.945 ( 1.262 -0.396 0.000) 1.323 0.960 ( 0.056 0.095 0.000) 0.110 0.973 ( 0.848 -2.756 0.000) 2.884 0.984 ( -0.198 -2.275 0.000) 2.284 1.177 ( 0.255 -0.773 0.000) 0.814 1.191 ( -1.101 -0.599 0.000) 1.253 1.192 ( 0.157 -2.010 0.000) 2.016 1.206 ( -1.114 -1.908 0.000) 2.209 1.696 ( 1.822 5.003 0.000) 5.324 1.720 ( -0.722 6.925 0.000) 6.962 1.740 ( 2.155 0.814 0.000) 2.303 1.782 ( -1.941 3.257 0.000) 3.792 1.840 ( -0.032 0.646 0.000) 0.647 1.844 ( -0.105 -0.113 0.000) 0.154 1.886 ( 2.179 -3.386 0.000) 4.026 1.921 ( -1.643 -4.870 0.000) 5.140 2.018 ( 0.466 1.389 0.000) 1.465 2.034 ( -1.265 -0.019 0.000) 1.265 2.044 ( 0.397 -1.703 0.000) 1.749 2.060 ( -1.327 -3.383 0.000) 3.634 2.328 ( 10.414 4.208 0.000) 11.232 2.354 ( 1.063 1.308 0.000) 1.686 2.362 ( 11.808 4.009 0.000) 12.470 2.373 ( 0.653 -0.597 0.000) 0.884 2.413 ( 9.917 -4.533 0.000) 10.904 2.442 ( 11.301 -4.197 0.000) 12.055 2.797 ( -11.268 1.414 0.000) 11.356 2.818 ( -17.062 -1.188 0.000) 17.103 2.855 ( -8.349 1.844 0.000) 8.550 2.860 ( -1.800 3.266 0.000) 3.729 2.889 ( -2.716 -0.928 0.000) 2.870 2.900 ( -1.406 -0.711 0.000) 1.576 3.130 ( 3.190 6.521 0.000) 7.260 3.192 ( -2.781 6.147 0.000) 6.747 3.192 ( 2.880 0.491 0.000) 2.921 3.245 ( -2.290 1.030 0.000) 2.511 3.937 ( 3.181 -0.026 0.000) 3.181 3.948 ( 3.133 -1.061 0.000) 3.308 4.005 ( -3.470 0.935 0.000) 3.594 4.015 ( -3.577 -0.065 0.000) 3.577 4.241 ( 0.323 4.785 0.000) 4.796 4.248 ( -0.366 4.171 0.000) 4.187 4.291 ( 1.126 -0.299 0.000) 1.165 4.294 ( 2.132 0.391 0.000) 2.168 4.308 ( -0.127 0.525 0.000) 0.541 4.334 ( -1.604 2.272 0.000) 2.782 4.352 ( 1.139 -2.719 0.000) 2.948 4.385 ( -1.787 -1.774 0.000) 2.518 4.510 ( 1.500 0.948 0.000) 1.774 4.534 ( -0.839 0.160 0.000) 0.854 4.536 ( 1.394 -1.488 0.000) 2.040 4.559 ( -0.864 -2.095 0.000) 2.266 4.866 ( -0.930 2.671 0.000) 2.829 4.867 ( -0.947 2.741 0.000) 2.900 4.901 ( -0.580 -0.635 0.000) 0.860 4.903 ( -0.873 -0.912 0.000) 1.262 5.001 ( 1.048 1.803 0.000) 2.085 5.026 ( -1.485 1.758 0.000) 2.302 5.047 ( 1.429 -2.502 0.000) 2.881 5.075 ( -1.405 -2.887 0.000) 3.210 5.188 ( 2.228 1.006 0.000) 2.444 5.202 ( 0.089 0.518 0.000) 0.526 5.212 ( 0.610 -0.471 0.000) 0.771 5.212 ( 1.328 -1.470 0.000) 1.981 5.324 ( 4.593 0.145 0.000) 4.595 5.336 ( 3.962 -1.111 0.000) 4.115 5.396 ( -1.756 -0.152 0.000) 1.762 5.399 ( -1.460 -0.448 0.000) 1.528 5.647 ( 0.502 1.593 0.000) 1.670 5.657 ( -0.563 1.901 0.000) 1.982 5.675 ( 0.899 -1.312 0.000) 1.590 5.692 ( -0.804 -1.638 0.000) 1.825 ======================= Grid point 65 (22/63) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.271 ( 0.000 0.000 13.474) 13.474 0.384 ( 0.000 0.000 18.793) 18.793 0.553 ( 0.000 0.000 24.332) 24.332 0.596 ( 0.000 0.000 2.298) 2.298 0.752 ( 0.000 0.000 -0.889) 0.889 0.851 ( 0.000 0.000 -0.936) 0.936 0.910 ( 0.000 0.000 -3.900) 3.900 0.986 ( 0.000 0.000 0.597) 0.597 1.055 ( 0.000 0.000 -1.086) 1.086 1.072 ( 0.000 0.000 5.259) 5.259 1.195 ( 0.000 0.000 2.715) 2.715 1.243 ( 0.000 0.000 -0.536) 0.536 1.349 ( 0.000 0.000 -3.950) 3.950 1.446 ( 0.000 0.000 -3.012) 3.012 1.481 ( 0.000 0.000 -13.154) 13.154 1.556 ( 0.000 0.000 2.085) 2.085 1.599 ( 0.000 0.000 -7.900) 7.900 1.653 ( 0.000 0.000 -1.999) 1.999 1.865 ( 0.000 0.000 1.987) 1.987 2.007 ( 0.000 0.000 0.501) 0.501 2.025 ( 0.000 0.000 0.073) 0.073 2.032 ( 0.000 0.000 0.012) 0.012 2.051 ( 0.000 0.000 -0.461) 0.461 2.157 ( 0.000 0.000 -7.239) 7.239 2.336 ( 0.000 0.000 7.036) 7.036 2.346 ( 0.000 0.000 4.444) 4.444 2.474 ( 0.000 0.000 0.210) 0.210 2.497 ( 0.000 0.000 -1.340) 1.340 2.540 ( 0.000 0.000 -1.124) 1.124 2.634 ( 0.000 0.000 5.836) 5.836 2.664 ( 0.000 0.000 -2.265) 2.265 2.697 ( 0.000 0.000 -0.963) 0.963 2.813 ( 0.000 0.000 0.987) 0.987 2.878 ( 0.000 0.000 -0.673) 0.673 3.528 ( 0.000 0.000 1.925) 1.925 3.639 ( 0.000 0.000 -2.676) 2.676 3.645 ( 0.000 0.000 1.130) 1.130 3.711 ( 0.000 0.000 -1.443) 1.443 3.787 ( 0.000 0.000 0.185) 0.185 3.803 ( 0.000 0.000 -0.751) 0.751 3.895 ( 0.000 0.000 0.137) 0.137 3.924 ( 0.000 0.000 -0.804) 0.804 3.945 ( 0.000 0.000 1.887) 1.887 3.995 ( 0.000 0.000 1.330) 1.330 4.011 ( 0.000 0.000 -1.127) 1.127 4.058 ( 0.000 0.000 -1.349) 1.349 4.198 ( 0.000 0.000 1.087) 1.087 4.253 ( 0.000 0.000 -1.285) 1.285 4.519 ( 0.000 0.000 -2.020) 2.020 4.532 ( 0.000 0.000 -1.601) 1.601 4.639 ( 0.000 0.000 1.599) 1.599 4.699 ( 0.000 0.000 1.645) 1.645 4.718 ( 0.000 0.000 -1.819) 1.819 4.757 ( 0.000 0.000 -0.792) 0.792 4.861 ( 0.000 0.000 0.553) 0.553 4.882 ( 0.000 0.000 0.327) 0.327 4.936 ( 0.000 0.000 0.903) 0.903 4.946 ( 0.000 0.000 0.129) 0.129 4.997 ( 0.000 0.000 1.715) 1.715 5.050 ( 0.000 0.000 5.054) 5.054 5.069 ( 0.000 0.000 -1.724) 1.724 5.215 ( 0.000 0.000 0.946) 0.946 5.295 ( 0.000 0.000 -3.175) 3.175 5.298 ( 0.000 0.000 0.719) 0.719 5.344 ( 0.000 0.000 -1.479) 1.479 5.392 ( 0.000 0.000 -1.530) 1.530 5.484 ( 0.000 0.000 0.483) 0.483 5.509 ( 0.000 0.000 -0.606) 0.606 5.661 ( 0.000 0.000 2.509) 2.509 5.748 ( 0.000 0.000 -1.414) 1.414 6.034 ( 0.000 0.000 0.668) 0.668 6.062 ( 0.000 0.000 -0.537) 0.537 ======================= Grid point 66 (23/63) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.399 ( 5.028 0.000 11.817) 12.842 0.501 ( 9.808 0.000 11.994) 15.493 0.712 ( 9.059 0.000 8.352) 12.322 0.771 ( 1.793 0.000 -0.892) 2.003 0.785 ( 9.452 0.000 1.214) 9.530 0.840 ( -1.143 0.000 -0.573) 1.279 0.898 ( -1.210 0.000 -3.175) 3.398 0.987 ( -0.849 0.000 -2.083) 2.250 1.055 ( 2.761 0.000 0.407) 2.790 1.185 ( 2.951 0.000 1.806) 3.460 1.218 ( 2.466 0.000 2.962) 3.854 1.244 ( 8.648 0.000 3.517) 9.336 1.380 ( 3.131 0.000 -3.934) 5.027 1.503 ( 6.571 0.000 -4.560) 7.999 1.518 ( -3.846 0.000 2.400) 4.534 1.579 ( 9.603 0.000 -8.555) 12.861 1.624 ( 2.789 0.000 -3.848) 4.752 1.628 ( -2.559 0.000 -2.229) 3.394 1.888 ( 2.934 0.000 0.489) 2.974 2.009 ( 0.227 0.000 0.355) 0.421 2.022 ( -0.180 0.000 0.160) 0.241 2.029 ( -0.320 0.000 -0.057) 0.325 2.045 ( -0.566 0.000 -0.400) 0.693 2.052 ( -4.574 0.000 -1.467) 4.803 2.281 ( -5.455 0.000 6.919) 8.811 2.349 ( -4.267 0.000 2.175) 4.789 2.409 ( 1.882 0.000 4.536) 4.911 2.512 ( -1.526 0.000 1.834) 2.386 2.538 ( 2.857 0.000 -0.620) 2.924 2.558 ( -3.954 0.000 0.012) 3.954 2.711 ( 0.488 0.000 1.083) 1.188 2.756 ( 5.215 0.000 -3.815) 6.461 2.789 ( -2.236 0.000 0.658) 2.331 2.812 ( -1.731 0.000 -1.053) 2.026 3.376 ( -14.145 0.000 2.171) 14.311 3.494 ( -13.892 0.000 -2.848) 14.181 3.648 ( 0.265 0.000 1.050) 1.082 3.698 ( -1.112 0.000 -0.699) 1.314 3.791 ( 0.319 0.000 -0.590) 0.671 3.805 ( 0.063 0.000 -0.847) 0.849 3.902 ( 0.611 0.000 0.380) 0.720 3.931 ( 0.774 0.000 -0.745) 1.074 3.941 ( -0.391 0.000 1.740) 1.783 4.003 ( -0.816 0.000 -1.071) 1.346 4.130 ( 5.894 0.000 0.571) 5.922 4.222 ( 2.382 0.000 1.339) 2.733 4.248 ( 6.123 0.000 -5.198) 8.032 4.331 ( 10.271 0.000 -6.942) 12.396 4.507 ( -1.453 0.000 -1.596) 2.158 4.512 ( -0.581 0.000 -1.831) 1.921 4.643 ( 0.417 0.000 1.641) 1.693 4.691 ( -0.734 0.000 1.656) 1.812 4.722 ( 0.405 0.000 -1.733) 1.780 4.754 ( -0.351 0.000 -0.924) 0.989 4.761 ( -6.656 0.000 4.699) 8.147 4.818 ( -8.481 0.000 3.038) 9.008 4.890 ( -0.523 0.000 -1.085) 1.204 4.913 ( -2.964 0.000 -0.481) 3.003 4.951 ( 1.033 0.000 0.959) 1.409 5.013 ( -1.265 0.000 -1.069) 1.656 5.166 ( 3.015 0.000 2.736) 4.072 5.258 ( -1.252 0.000 -0.414) 1.319 5.291 ( 4.232 0.000 -0.722) 4.293 5.361 ( 1.152 0.000 -1.671) 2.030 5.399 ( 3.698 0.000 -1.205) 3.890 5.477 ( 6.126 0.000 -3.837) 7.228 5.539 ( 4.895 0.000 -0.545) 4.925 5.560 ( 5.441 0.000 -1.281) 5.590 5.670 ( 0.981 0.000 2.958) 3.117 5.774 ( 2.319 0.000 -1.587) 2.810 5.936 ( -7.042 0.000 4.271) 8.236 6.018 ( -4.261 0.000 -0.958) 4.368 ======================= Grid point 67 (24/63) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.512 ( 7.826 0.000 2.389) 8.182 0.683 ( 7.950 0.000 4.439) 9.106 0.694 ( -9.806 0.000 -0.907) 9.848 0.792 ( -3.001 0.000 0.065) 3.002 0.820 ( 1.867 0.000 -0.369) 1.903 0.827 ( 3.724 0.000 -3.303) 4.978 0.865 ( -2.155 0.000 -1.767) 2.787 0.916 ( -5.251 0.000 -4.882) 7.170 1.212 ( 6.178 0.000 3.977) 7.348 1.267 ( 2.489 0.000 3.101) 3.976 1.295 ( 5.486 0.000 3.377) 6.442 1.405 ( 7.460 0.000 7.445) 10.539 1.415 ( -6.281 0.000 3.038) 6.977 1.462 ( 4.854 0.000 -3.497) 5.982 1.534 ( -4.164 0.000 0.624) 4.211 1.557 ( -4.603 0.000 -2.830) 5.403 1.747 ( 9.457 0.000 -1.886) 9.643 1.810 ( 4.831 0.000 -4.340) 6.494 2.008 ( 9.353 0.000 -1.186) 9.428 2.015 ( 0.322 0.000 -0.013) 0.322 2.021 ( -0.144 0.000 -0.175) 0.227 2.023 ( 0.026 0.000 0.263) 0.264 2.032 ( -0.679 0.000 -0.142) 0.693 2.049 ( 3.343 0.000 -3.992) 5.207 2.219 ( 0.156 0.000 4.598) 4.600 2.287 ( -1.183 0.000 1.640) 2.023 2.358 ( -3.916 0.000 1.916) 4.360 2.461 ( -7.695 0.000 -1.945) 7.937 2.548 ( 4.466 0.000 3.202) 5.495 2.602 ( 1.389 0.000 -0.276) 1.416 2.694 ( -0.817 0.000 3.863) 3.948 2.734 ( -3.222 0.000 1.121) 3.412 2.848 ( 6.061 0.000 -2.796) 6.675 2.886 ( 8.780 0.000 -4.143) 9.709 3.065 ( -14.822 0.000 0.646) 14.836 3.168 ( -17.625 0.000 -3.257) 17.924 3.657 ( 0.701 0.000 0.778) 1.047 3.675 ( -1.147 0.000 0.228) 1.169 3.797 ( 0.355 0.000 -1.186) 1.238 3.803 ( -0.218 0.000 -1.159) 1.179 3.916 ( 0.779 0.000 0.876) 1.172 3.930 ( -0.673 0.000 1.383) 1.539 3.953 ( 1.412 0.000 -0.774) 1.610 3.981 ( -1.386 0.000 -0.923) 1.665 4.226 ( 3.576 0.000 0.977) 3.707 4.262 ( 0.386 0.000 1.551) 1.598 4.329 ( 3.870 0.000 -1.967) 4.341 4.397 ( -2.582 0.000 -3.202) 4.113 4.513 ( 3.188 0.000 0.406) 3.214 4.560 ( 3.258 0.000 -1.244) 3.488 4.643 ( -4.424 0.000 2.369) 5.018 4.655 ( 0.827 0.000 1.708) 1.898 4.673 ( -1.018 0.000 1.710) 1.990 4.686 ( -5.255 0.000 1.265) 5.405 4.733 ( 0.619 0.000 -1.537) 1.657 4.745 ( -0.590 0.000 -1.231) 1.365 4.875 ( -0.646 0.000 -0.941) 1.142 4.877 ( -0.891 0.000 -0.844) 1.227 4.972 ( 1.032 0.000 0.145) 1.042 4.991 ( -0.998 0.000 -0.310) 1.045 5.202 ( 1.355 0.000 1.312) 1.886 5.229 ( -1.495 0.000 0.177) 1.505 5.341 ( 1.429 0.000 -2.822) 3.163 5.361 ( -0.688 0.000 -3.073) 3.149 5.502 ( 4.596 0.000 1.064) 4.718 5.538 ( 0.813 0.000 -0.313) 0.871 5.626 ( 3.515 0.000 -0.474) 3.547 5.651 ( 1.659 0.000 -1.500) 2.237 5.713 ( 4.173 0.000 3.593) 5.507 5.810 ( -5.119 0.000 4.120) 6.571 5.830 ( 2.862 0.000 -1.958) 3.468 5.918 ( -5.497 0.000 -1.434) 5.681 ======================= Grid point 70 (25/63) ======================= q-point: ( 0.00 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.334 ( 0.000 9.914 8.123) 12.817 0.425 ( 0.000 12.741 7.751) 14.913 0.656 ( 0.000 6.678 -1.696) 6.890 0.880 ( 0.000 -0.651 -5.708) 5.745 0.889 ( 0.000 19.563 9.543) 21.766 0.920 ( 0.000 13.241 -1.429) 13.318 1.014 ( 0.000 0.967 0.506) 1.091 1.025 ( 0.000 15.378 5.647) 16.382 1.081 ( 0.000 3.582 0.607) 3.633 1.097 ( 0.000 2.412 -1.262) 2.722 1.129 ( 0.000 -5.070 -0.070) 5.070 1.318 ( 0.000 -1.985 -3.230) 3.791 1.342 ( 0.000 2.447 -1.239) 2.743 1.369 ( 0.000 -6.574 -1.162) 6.676 1.547 ( 0.000 11.058 -7.396) 13.304 1.620 ( 0.000 6.811 -4.773) 8.317 1.726 ( 0.000 1.753 -0.158) 1.760 1.748 ( 0.000 4.421 -0.664) 4.471 1.862 ( 0.000 6.773 -2.702) 7.292 1.943 ( 0.000 -2.802 -0.322) 2.820 2.060 ( 0.000 3.930 -1.469) 4.196 2.074 ( 0.000 4.626 -2.238) 5.139 2.156 ( 0.000 8.994 1.815) 9.176 2.241 ( 0.000 6.974 -2.442) 7.390 2.350 ( 0.000 1.348 6.958) 7.087 2.350 ( 0.000 0.972 4.560) 4.662 2.471 ( 0.000 -0.107 -0.214) 0.240 2.477 ( 0.000 -6.747 8.645) 10.967 2.496 ( 0.000 -0.974 -0.630) 1.161 2.527 ( 0.000 -1.157 -0.912) 1.473 2.579 ( 0.000 -4.289 2.400) 4.915 2.674 ( 0.000 -2.115 -2.728) 3.451 2.709 ( 0.000 -4.308 1.744) 4.647 2.791 ( 0.000 -1.786 -0.705) 1.920 3.499 ( 0.000 -1.448 2.214) 2.645 3.605 ( 0.000 -2.922 -2.374) 3.765 3.791 ( 0.000 6.366 0.877) 6.426 3.853 ( 0.000 6.201 -1.669) 6.421 3.889 ( 0.000 2.892 0.333) 2.911 3.900 ( 0.000 2.486 0.445) 2.526 3.954 ( 0.000 3.622 0.724) 3.694 3.963 ( 0.000 5.607 0.044) 5.607 3.981 ( 0.000 5.445 0.649) 5.483 4.081 ( 0.000 2.299 -0.627) 2.383 4.089 ( 0.000 4.717 -0.310) 4.727 4.199 ( 0.000 0.361 1.030) 1.091 4.251 ( 0.000 18.298 -18.738) 26.191 4.251 ( 0.000 -0.070 -1.213) 1.215 4.508 ( 0.000 -1.163 -1.335) 1.770 4.527 ( 0.000 -0.449 -1.445) 1.514 4.669 ( 0.000 -1.959 2.347) 3.057 4.682 ( 0.000 2.963 1.678) 3.405 4.740 ( 0.000 1.613 -1.501) 2.204 4.756 ( 0.000 0.654 -0.416) 0.775 4.873 ( 0.000 -0.892 0.920) 1.281 4.883 ( 0.000 1.284 -1.249) 1.791 4.927 ( 0.000 -0.643 0.277) 0.700 4.935 ( 0.000 -1.185 0.058) 1.187 5.000 ( 0.000 0.233 1.604) 1.621 5.054 ( 0.000 -1.751 -0.986) 2.009 5.059 ( 0.000 0.777 2.960) 3.061 5.236 ( 0.000 -1.658 -4.961) 5.231 5.259 ( 0.000 -0.237 0.283) 0.369 5.287 ( 0.000 -1.144 1.139) 1.614 5.340 ( 0.000 -0.242 -1.611) 1.629 5.378 ( 0.000 -0.974 -1.871) 2.109 5.477 ( 0.000 -0.635 0.422) 0.762 5.498 ( 0.000 -1.122 -0.522) 1.237 5.646 ( 0.000 -1.453 2.296) 2.717 5.723 ( 0.000 -2.690 -0.870) 2.827 5.895 ( 0.000 -7.870 7.993) 11.217 6.004 ( 0.000 -5.605 -0.704) 5.649 ======================= Grid point 71 (26/63) ======================= q-point: ( 0.20 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.426 ( 7.347 6.481 5.527) 11.248 0.544 ( 4.431 7.645 7.002) 11.274 0.773 ( 5.400 4.029 -1.121) 6.830 0.854 ( -1.722 1.210 -5.890) 6.255 0.902 ( 1.056 11.857 -0.338) 11.908 0.949 ( 0.605 10.712 -1.658) 10.857 1.013 ( -0.553 2.343 0.967) 2.594 1.072 ( 3.112 2.409 -0.060) 3.936 1.091 ( 1.582 11.033 2.332) 11.387 1.134 ( 5.242 4.840 3.124) 7.789 1.239 ( 10.538 2.935 4.323) 11.762 1.366 ( 1.494 -4.358 -1.185) 4.757 1.383 ( 5.064 -0.149 0.346) 5.078 1.423 ( 6.072 3.739 -2.729) 7.635 1.493 ( -0.588 5.734 -2.678) 6.356 1.682 ( 5.966 8.046 -5.302) 11.334 1.697 ( -0.857 1.508 0.472) 1.797 1.732 ( -2.613 2.422 -0.570) 3.608 1.862 ( 0.072 3.587 -0.660) 3.648 1.924 ( 0.146 0.520 -1.489) 1.584 2.050 ( -0.782 3.260 -0.794) 3.445 2.085 ( 1.611 5.029 -2.124) 5.692 2.150 ( -0.546 9.204 1.583) 9.355 2.213 ( -1.380 8.621 -1.238) 8.819 2.302 ( -3.560 2.316 4.956) 6.527 2.364 ( -3.974 1.445 1.905) 4.638 2.395 ( 1.518 -0.672 4.845) 5.122 2.506 ( -1.100 -0.610 2.243) 2.572 2.527 ( -1.827 -2.492 -1.420) 3.400 2.534 ( 2.352 -0.304 -0.781) 2.497 2.650 ( 7.652 -6.658 -0.431) 10.152 2.684 ( -0.559 -3.648 2.667) 4.553 2.736 ( 3.013 -2.960 -2.620) 4.970 2.774 ( -1.387 -1.264 -0.526) 1.949 3.354 ( -13.994 -1.496 2.005) 14.216 3.457 ( -14.008 -3.093 -2.471) 14.557 3.780 ( -1.005 6.810 0.468) 6.900 3.816 ( -3.147 6.989 -0.874) 7.715 3.873 ( -0.465 6.272 0.025) 6.290 3.889 ( -0.899 6.183 -0.445) 6.264 3.959 ( 0.253 1.936 0.750) 2.092 3.962 ( -0.116 5.146 0.226) 5.152 3.978 ( 0.018 4.299 -0.026) 4.299 4.019 ( -2.573 4.522 -1.402) 5.388 4.155 ( 5.254 2.721 1.069) 6.013 4.230 ( 2.809 0.948 1.446) 3.299 4.267 ( 2.650 0.964 -2.587) 3.827 4.376 ( 5.707 3.584 -9.179) 11.387 4.496 ( -1.288 -1.169 -1.092) 2.054 4.513 ( -0.392 0.082 -1.824) 1.868 4.646 ( -2.455 -3.729 3.229) 5.510 4.685 ( 0.528 3.907 1.201) 4.121 4.724 ( -3.023 -1.052 0.708) 3.278 4.748 ( 0.354 2.244 -1.273) 2.604 4.815 ( -3.168 2.918 0.984) 4.418 4.849 ( -5.741 2.358 1.289) 6.338 4.890 ( -0.733 0.125 -0.813) 1.102 4.916 ( -3.085 0.338 -0.484) 3.141 4.941 ( 0.646 -0.876 0.896) 1.410 4.991 ( -1.517 -2.178 -0.695) 2.744 5.164 ( 2.918 -0.205 2.022) 3.556 5.241 ( -1.043 -2.081 -0.708) 2.433 5.290 ( 4.581 -0.101 0.475) 4.606 5.352 ( 1.148 -0.660 -1.483) 1.988 5.391 ( 2.448 -0.527 -2.013) 3.213 5.444 ( 7.522 -3.212 -4.139) 9.166 5.524 ( 4.127 -1.409 -0.274) 4.370 5.538 ( 4.224 -1.921 -0.582) 4.677 5.654 ( 0.880 -1.524 2.611) 3.148 5.746 ( 2.081 -3.253 -1.282) 4.070 5.851 ( -3.781 -5.442 6.614) 9.363 5.965 ( -3.714 -5.058 -0.990) 6.352 ======================= Grid point 72 (27/63) ======================= q-point: ( 0.40 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.534 ( 3.367 4.450 0.956) 5.662 0.575 ( -0.312 0.944 2.537) 2.725 0.807 ( 0.387 2.103 -3.639) 4.221 0.818 ( -1.253 2.391 -5.400) 6.037 0.931 ( 0.513 8.548 -0.635) 8.587 0.963 ( 3.131 10.066 -0.698) 10.565 0.971 ( -2.908 9.565 2.039) 10.204 1.034 ( -3.644 9.251 -1.075) 10.001 1.167 ( 4.789 -1.400 3.315) 5.990 1.229 ( -0.480 1.269 0.504) 1.447 1.339 ( 1.703 2.780 2.241) 3.956 1.368 ( -1.107 -1.425 1.937) 2.648 1.505 ( 7.011 7.502 2.506) 10.569 1.526 ( 5.988 4.278 -1.365) 7.485 1.625 ( -4.188 4.238 -0.306) 5.966 1.642 ( -5.108 4.052 -0.918) 6.585 1.690 ( 10.964 -0.639 1.265) 11.055 1.813 ( -1.564 3.556 0.006) 3.885 1.942 ( 7.179 1.101 -3.938) 8.262 1.955 ( 1.977 1.197 -3.384) 4.098 2.067 ( 5.333 3.922 1.968) 6.906 2.137 ( -0.768 8.484 1.595) 8.667 2.169 ( 6.929 7.258 -2.067) 10.245 2.202 ( 1.039 7.633 -1.021) 7.770 2.256 ( -1.243 4.804 2.277) 5.460 2.295 ( -3.105 1.137 1.834) 3.781 2.352 ( -3.606 0.002 1.117) 3.775 2.439 ( -7.342 -1.971 -1.811) 7.814 2.538 ( 3.647 -0.745 3.386) 5.032 2.590 ( 0.262 -1.264 0.305) 1.327 2.672 ( 0.885 -1.842 2.756) 3.431 2.721 ( -2.861 -1.158 -0.107) 3.088 2.792 ( 8.377 -4.062 -1.297) 9.400 2.854 ( 9.006 -2.838 -3.166) 9.959 3.035 ( -16.109 -2.235 1.147) 16.303 3.131 ( -17.691 -3.330 -2.790) 18.217 3.764 ( -0.386 7.414 0.109) 7.425 3.771 ( -1.287 8.058 -0.117) 8.161 3.870 ( 0.051 6.264 -0.443) 6.279 3.875 ( -0.490 6.277 -0.585) 6.324 3.959 ( -0.041 3.616 0.538) 3.656 3.960 ( -0.105 3.509 0.624) 3.566 3.983 ( 0.452 3.031 -0.419) 3.093 3.993 ( -0.648 1.886 -0.644) 2.096 4.240 ( 3.345 1.665 0.936) 3.851 4.274 ( 0.490 1.344 1.578) 2.130 4.332 ( 3.682 0.387 -1.797) 4.115 4.397 ( -2.565 0.102 -3.023) 3.966 4.491 ( 1.972 -1.901 0.826) 2.861 4.537 ( 0.245 -2.066 0.081) 2.082 4.597 ( -0.434 -2.505 1.072) 2.759 4.652 ( -3.925 -1.842 0.525) 4.367 4.704 ( 1.506 4.228 1.168) 4.638 4.744 ( -2.343 4.100 0.727) 4.778 4.768 ( 0.290 3.253 -0.788) 3.360 4.789 ( -1.484 3.429 -0.731) 3.807 4.873 ( -0.641 -0.137 -0.964) 1.166 4.876 ( -1.046 -0.058 -0.899) 1.381 4.957 ( 0.761 -1.482 0.415) 1.717 4.971 ( -0.760 -2.010 0.065) 2.150 5.194 ( 1.043 -0.655 1.071) 1.632 5.216 ( -1.248 -1.237 0.224) 1.772 5.343 ( 1.218 0.196 -2.391) 2.691 5.358 ( -0.426 -0.229 -2.631) 2.675 5.482 ( 4.784 -1.967 0.834) 5.240 5.521 ( 0.939 -1.740 -0.620) 2.072 5.599 ( 2.997 -2.635 -0.734) 4.057 5.618 ( 1.929 -3.216 -1.669) 4.105 5.687 ( 3.099 -2.301 3.512) 5.219 5.760 ( -3.326 -4.859 3.008) 6.612 5.806 ( 2.155 -1.719 -0.249) 2.768 5.878 ( -4.683 -3.695 -1.248) 6.094 ======================= Grid point 75 (28/63) ======================= q-point: ( 0.00 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.667 ( 0.000 19.868 -5.144) 20.524 0.682 ( 0.000 12.823 3.502) 13.292 0.813 ( 0.000 8.893 -1.326) 8.991 0.891 ( 0.000 2.715 -8.951) 9.353 1.014 ( 0.000 0.943 -3.623) 3.744 1.029 ( 0.000 -3.111 -0.620) 3.172 1.108 ( 0.000 5.654 -1.412) 5.827 1.140 ( 0.000 5.298 -1.193) 5.430 1.178 ( 0.000 6.217 -2.998) 6.902 1.217 ( 0.000 1.327 -1.947) 2.357 1.319 ( 0.000 6.033 2.267) 6.445 1.328 ( 0.000 11.121 1.424) 11.212 1.422 ( 0.000 18.468 10.252) 21.123 1.452 ( 0.000 3.879 7.584) 8.519 1.646 ( 0.000 0.751 0.726) 1.044 1.668 ( 0.000 1.757 -1.973) 2.642 1.788 ( 0.000 3.629 2.206) 4.247 1.791 ( 0.000 4.328 -3.494) 5.563 2.058 ( 0.000 10.003 -0.073) 10.003 2.058 ( 0.000 11.221 -2.209) 11.436 2.159 ( 0.000 4.835 -2.241) 5.329 2.193 ( 0.000 9.182 -4.250) 10.118 2.302 ( 0.000 5.002 2.975) 5.820 2.378 ( 0.000 0.830 1.062) 1.348 2.392 ( 0.000 5.557 -1.178) 5.680 2.400 ( 0.000 4.608 4.014) 6.111 2.438 ( 0.000 1.743 2.614) 3.142 2.463 ( 0.000 -1.430 -0.539) 1.528 2.496 ( 0.000 1.713 -1.211) 2.098 2.502 ( 0.000 -1.548 0.143) 1.554 2.539 ( 0.000 2.147 -1.243) 2.481 2.621 ( 0.000 -2.741 -0.842) 2.868 2.656 ( 0.000 -0.427 1.753) 1.804 2.755 ( 0.000 -1.854 -1.657) 2.486 3.470 ( 0.000 -1.488 1.473) 2.094 3.535 ( 0.000 -4.087 -1.313) 4.292 3.860 ( 0.000 -1.119 0.971) 1.482 3.903 ( 0.000 1.135 -0.785) 1.380 3.929 ( 0.000 6.530 2.640) 7.043 4.015 ( 0.000 7.215 -1.346) 7.339 4.069 ( 0.000 5.212 0.060) 5.213 4.099 ( 0.000 6.774 -0.875) 6.831 4.123 ( 0.000 5.558 1.373) 5.725 4.133 ( 0.000 2.684 0.592) 2.748 4.211 ( 0.000 8.277 0.668) 8.304 4.231 ( 0.000 3.854 0.218) 3.860 4.259 ( 0.000 1.353 -0.680) 1.515 4.390 ( 0.000 -0.598 -7.169) 7.194 4.468 ( 0.000 -3.087 0.386) 3.111 4.512 ( 0.000 -1.668 -0.682) 1.802 4.579 ( 0.000 -6.799 4.879) 8.368 4.753 ( 0.000 -0.094 -3.003) 3.005 4.765 ( 0.000 4.196 0.199) 4.201 4.794 ( 0.000 2.256 -1.018) 2.475 4.863 ( 0.000 0.507 0.325) 0.602 4.884 ( 0.000 -2.182 -0.809) 2.328 4.919 ( 0.000 1.457 0.372) 1.503 4.934 ( 0.000 1.779 -0.698) 1.911 5.011 ( 0.000 1.008 0.629) 1.188 5.014 ( 0.000 -1.755 0.279) 1.777 5.064 ( 0.000 -0.528 0.848) 0.999 5.155 ( 0.000 -4.187 -4.303) 6.004 5.262 ( 0.000 -1.044 1.112) 1.525 5.266 ( 0.000 -1.058 1.025) 1.473 5.337 ( 0.000 -0.092 -0.656) 0.662 5.375 ( 0.000 0.490 -3.063) 3.102 5.463 ( 0.000 -0.820 0.219) 0.849 5.468 ( 0.000 -1.902 -0.113) 1.905 5.613 ( 0.000 -1.657 1.518) 2.247 5.656 ( 0.000 -3.493 0.567) 3.539 5.801 ( 0.000 -2.684 3.729) 4.595 5.874 ( 0.000 -7.029 -0.367) 7.038 ======================= Grid point 76 (29/63) ======================= q-point: ( 0.20 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.680 ( 1.627 16.294 -2.406) 16.551 0.734 ( 0.684 11.068 1.216) 11.156 0.877 ( 2.652 6.440 -1.387) 7.102 0.887 ( -0.389 3.300 -6.867) 7.629 1.025 ( 1.096 0.819 -1.365) 1.932 1.041 ( 1.679 0.512 -2.126) 2.757 1.111 ( 1.566 7.000 0.428) 7.185 1.160 ( 0.290 6.373 0.154) 6.381 1.193 ( 2.482 4.844 -1.292) 5.594 1.301 ( 5.333 2.246 -3.100) 6.565 1.358 ( 1.083 5.543 2.947) 6.370 1.397 ( 5.183 8.154 0.672) 9.685 1.458 ( 4.675 4.035 4.541) 7.666 1.512 ( 9.922 13.993 6.195) 18.238 1.632 ( -1.371 1.745 -0.242) 2.232 1.703 ( 2.688 1.711 -1.906) 3.713 1.736 ( -3.374 6.171 -0.083) 7.033 1.814 ( 4.631 4.836 1.376) 6.836 2.040 ( -1.459 10.833 -1.896) 11.094 2.056 ( 0.025 9.577 -0.813) 9.611 2.168 ( -0.045 6.316 -0.249) 6.321 2.179 ( -0.179 8.043 -3.064) 8.608 2.315 ( 1.159 5.702 0.393) 5.832 2.350 ( -2.361 2.962 1.657) 4.134 2.364 ( -1.487 1.960 0.303) 2.479 2.390 ( -1.774 5.273 2.197) 5.981 2.427 ( -0.580 2.007 0.295) 2.110 2.486 ( -1.127 0.052 -1.783) 2.110 2.515 ( 1.582 2.463 1.231) 3.176 2.541 ( 2.442 0.232 0.313) 2.472 2.559 ( 4.670 -1.184 -0.846) 4.891 2.642 ( 1.714 -1.058 1.883) 2.758 2.674 ( 1.949 -2.445 -1.321) 3.394 2.746 ( -0.660 -1.562 -1.104) 2.024 3.326 ( -14.040 -1.402 1.428) 14.182 3.388 ( -14.088 -3.878 -1.263) 14.667 3.876 ( 1.257 0.642 0.893) 1.670 3.906 ( -0.298 4.104 0.536) 4.150 3.924 ( 0.379 2.505 1.299) 2.848 4.003 ( -1.125 6.382 -1.285) 6.607 4.056 ( -1.055 5.323 0.014) 5.426 4.079 ( -2.126 5.792 0.946) 6.242 4.088 ( -0.939 6.294 -1.020) 6.445 4.119 ( -2.255 3.923 -0.625) 4.568 4.241 ( 2.728 5.568 0.371) 6.212 4.274 ( 3.302 4.097 1.077) 5.371 4.289 ( 2.763 1.924 -0.641) 3.427 4.404 ( 0.762 -1.323 -4.467) 4.721 4.461 ( -0.751 -2.365 0.100) 2.484 4.503 ( -0.604 -1.860 -0.840) 2.128 4.555 ( -1.877 -5.725 4.234) 7.364 4.711 ( -4.320 -0.339 -2.837) 5.179 4.770 ( 0.505 3.935 0.272) 3.976 4.788 ( 0.348 1.480 -0.355) 1.561 4.866 ( -0.003 2.519 -0.063) 2.520 4.876 ( -0.857 -0.268 -0.356) 0.966 4.907 ( -1.744 1.828 0.360) 2.551 4.923 ( -3.210 0.095 -0.094) 3.213 4.935 ( -0.924 1.007 0.268) 1.392 4.957 ( -2.392 0.176 0.004) 2.399 5.156 ( 3.669 -0.747 0.603) 3.793 5.191 ( 0.859 -2.369 -1.146) 2.768 5.272 ( 3.464 -1.764 2.085) 4.411 5.345 ( 1.056 -0.646 -1.207) 1.729 5.361 ( 5.219 -3.219 -0.917) 6.199 5.397 ( 2.773 0.001 -3.963) 4.836 5.489 ( 2.264 -2.170 0.237) 3.145 5.497 ( 2.918 -2.154 -0.209) 3.633 5.619 ( 0.605 -1.839 1.607) 2.516 5.663 ( 0.529 -4.152 0.888) 4.279 5.785 ( -1.266 -1.969 2.669) 3.550 5.849 ( -2.324 -6.164 -0.486) 6.606 ======================= Grid point 77 (30/63) ======================= q-point: ( 0.40 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.697 ( 0.196 11.165 -0.176) 11.168 0.713 ( -1.489 11.197 -0.610) 11.312 0.879 ( 0.176 4.756 -3.412) 5.856 0.889 ( -0.502 5.752 -2.115) 6.149 1.049 ( 1.612 3.562 -0.418) 3.932 1.069 ( 0.295 3.152 -1.125) 3.360 1.149 ( 1.301 6.820 -0.001) 6.943 1.172 ( -0.388 4.433 -0.376) 4.466 1.224 ( 2.987 5.680 4.026) 7.576 1.304 ( -4.348 4.357 4.947) 7.897 1.392 ( 4.209 4.086 -3.216) 6.689 1.448 ( -0.572 5.331 -2.201) 5.796 1.587 ( 2.727 3.579 -0.521) 4.530 1.593 ( 0.167 5.387 -0.996) 5.481 1.632 ( 1.318 0.218 1.096) 1.728 1.695 ( -2.644 2.778 -1.387) 4.078 1.860 ( 11.877 14.054 4.084) 18.848 1.995 ( -2.088 11.796 -0.055) 11.980 2.026 ( 9.403 5.540 -1.673) 11.041 2.070 ( 1.435 8.378 -2.589) 8.886 2.171 ( 3.797 7.321 1.982) 8.482 2.225 ( 4.705 2.198 0.227) 5.198 2.307 ( -3.726 0.487 1.615) 4.090 2.315 ( -1.134 6.815 2.463) 7.334 2.328 ( -1.628 5.167 -0.090) 5.418 2.378 ( -2.181 2.747 -2.016) 4.046 2.388 ( -0.449 3.558 -1.293) 3.812 2.442 ( -3.064 5.554 -2.304) 6.748 2.544 ( 1.598 2.330 3.275) 4.325 2.568 ( -0.334 0.173 1.731) 1.772 2.645 ( 3.588 -0.655 -0.211) 3.653 2.692 ( -1.197 -1.714 -2.061) 2.936 2.735 ( 8.829 -1.562 0.842) 9.006 2.787 ( 7.666 -3.726 -1.010) 8.583 2.997 ( -17.459 -1.656 1.247) 17.582 3.057 ( -18.047 -4.014 -1.295) 18.533 3.891 ( 0.175 4.365 1.007) 4.483 3.894 ( -0.447 5.523 1.302) 5.692 3.949 ( 1.656 0.858 -0.155) 1.872 3.978 ( -1.354 3.908 -0.932) 4.240 4.040 ( -0.202 4.956 0.209) 4.964 4.050 ( -1.066 4.697 0.299) 4.826 4.075 ( -0.262 6.054 -1.023) 6.145 4.082 ( -1.133 5.352 -0.886) 5.542 4.295 ( 2.517 3.943 0.321) 4.689 4.320 ( 0.597 3.490 1.051) 3.693 4.348 ( 3.090 1.186 -1.177) 3.513 4.399 ( -1.652 -0.296 -2.166) 2.741 4.448 ( 0.466 -2.234 1.611) 2.794 4.482 ( -2.082 -3.472 2.109) 4.565 4.551 ( 2.237 -2.620 -0.410) 3.470 4.620 ( -4.493 -1.275 -1.554) 4.922 4.789 ( 1.547 3.695 0.390) 4.025 4.807 ( 1.381 1.446 -0.615) 2.092 4.834 ( -2.496 2.792 0.564) 3.787 4.849 ( -2.297 1.438 -0.584) 2.772 4.878 ( -0.030 1.141 -0.180) 1.156 4.885 ( -0.730 2.066 -0.491) 2.246 4.934 ( 0.110 0.074 0.484) 0.502 4.937 ( -0.311 0.030 0.493) 0.584 5.183 ( 0.359 -0.363 0.432) 0.669 5.189 ( -0.404 -1.178 0.107) 1.249 5.342 ( 1.544 -0.747 -0.538) 1.798 5.353 ( -0.008 -0.332 -1.306) 1.348 5.434 ( 4.460 -2.559 0.152) 5.144 5.476 ( 1.640 -2.685 -1.441) 3.461 5.531 ( 1.827 -4.173 -0.684) 4.606 5.546 ( 1.122 -3.673 -1.161) 4.012 5.637 ( 1.309 -2.627 2.108) 3.613 5.663 ( -0.848 -4.383 1.813) 4.818 5.771 ( 0.258 -1.730 0.397) 1.793 5.799 ( -2.411 -3.943 -0.496) 4.648 ======================= Grid point 80 (31/63) ======================= q-point: ( 0.00 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.892 ( 0.000 8.165 1.484) 8.299 0.950 ( 0.000 6.679 -0.771) 6.723 0.971 ( 0.000 1.218 -1.157) 1.680 0.991 ( 0.000 5.987 -3.971) 7.185 1.064 ( 0.000 5.343 -3.888) 6.608 1.069 ( 0.000 14.093 -2.772) 14.363 1.203 ( 0.000 2.809 -0.829) 2.928 1.227 ( 0.000 2.000 -0.766) 2.142 1.252 ( 0.000 5.770 0.849) 5.832 1.255 ( 0.000 6.488 -0.575) 6.513 1.453 ( 0.000 -2.531 9.486) 9.818 1.477 ( 0.000 6.709 2.336) 7.104 1.563 ( 0.000 1.655 0.438) 1.712 1.564 ( 0.000 9.375 -0.587) 9.393 1.748 ( 0.000 5.821 -2.712) 6.422 1.776 ( 0.000 6.357 0.798) 6.406 1.852 ( 0.000 3.473 2.025) 4.021 1.883 ( 0.000 4.855 -1.691) 5.141 2.207 ( 0.000 0.380 -0.924) 0.999 2.229 ( 0.000 5.629 -1.119) 5.739 2.289 ( 0.000 2.396 1.984) 3.111 2.319 ( 0.000 8.436 1.478) 8.564 2.359 ( 0.000 -0.436 -0.809) 0.919 2.413 ( 0.000 0.616 -2.248) 2.331 2.415 ( 0.000 0.605 1.184) 1.330 2.466 ( 0.000 2.732 1.490) 3.112 2.473 ( 0.000 0.250 0.804) 0.842 2.502 ( 0.000 12.457 -0.922) 12.491 2.526 ( 0.000 6.255 -0.677) 6.292 2.536 ( 0.000 -0.484 -0.653) 0.813 2.639 ( 0.000 7.122 -0.405) 7.134 2.654 ( 0.000 7.327 -0.870) 7.378 2.728 ( 0.000 -0.064 0.438) 0.443 2.734 ( 0.000 7.825 0.358) 7.833 3.440 ( 0.000 -1.614 0.279) 1.638 3.456 ( 0.000 -3.882 -0.352) 3.898 3.864 ( 0.000 1.755 1.488) 2.300 3.940 ( 0.000 2.782 -1.866) 3.350 4.033 ( 0.000 3.645 3.904) 5.341 4.115 ( 0.000 2.832 0.621) 2.899 4.149 ( 0.000 3.041 -0.722) 3.126 4.170 ( 0.000 1.421 -0.296) 1.452 4.193 ( 0.000 2.431 0.043) 2.431 4.219 ( 0.000 5.821 -2.062) 6.175 4.298 ( 0.000 -7.633 -1.337) 7.749 4.302 ( 0.000 1.228 -0.509) 1.329 4.314 ( 0.000 0.503 -1.295) 1.390 4.343 ( 0.000 5.923 -1.256) 6.055 4.395 ( 0.000 -5.542 1.826) 5.835 4.449 ( 0.000 -3.955 -0.228) 3.962 4.463 ( 0.000 -0.142 6.479) 6.480 4.746 ( 0.000 -0.437 -4.870) 4.890 4.803 ( 0.000 -1.328 -0.898) 1.603 4.827 ( 0.000 2.404 -0.868) 2.556 4.878 ( 0.000 2.452 -0.301) 2.470 4.893 ( 0.000 2.055 -0.197) 2.065 4.967 ( 0.000 1.269 0.479) 1.357 4.984 ( 0.000 1.470 -1.004) 1.780 4.996 ( 0.000 1.050 1.522) 1.849 5.033 ( 0.000 1.612 0.498) 1.687 5.061 ( 0.000 1.415 -0.656) 1.560 5.092 ( 0.000 -2.140 -3.033) 3.712 5.238 ( 0.000 -1.449 1.962) 2.439 5.253 ( 0.000 0.191 0.283) 0.341 5.330 ( 0.000 -0.802 1.109) 1.369 5.378 ( 0.000 -0.308 -1.662) 1.691 5.424 ( 0.000 -2.539 0.581) 2.605 5.437 ( 0.000 -2.008 0.579) 2.090 5.592 ( 0.000 -0.306 0.464) 0.556 5.609 ( 0.000 -1.219 -0.028) 1.220 5.758 ( 0.000 -4.602 0.501) 4.629 5.766 ( 0.000 -1.202 0.308) 1.240 ======================= Grid point 81 (32/63) ======================= q-point: ( 0.20 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.905 ( 0.108 7.496 1.116) 7.580 0.953 ( -1.298 3.948 -1.307) 4.356 0.968 ( 0.501 5.873 -1.351) 6.048 1.006 ( 0.341 5.443 -1.337) 5.616 1.079 ( 2.702 6.654 -2.515) 7.610 1.101 ( 2.029 8.171 -2.635) 8.822 1.217 ( 0.225 2.935 -0.114) 2.945 1.219 ( 0.997 2.256 -0.533) 2.523 1.298 ( 3.223 6.432 0.930) 7.254 1.359 ( 5.571 5.663 -0.827) 7.987 1.446 ( 0.134 -0.197 6.671) 6.675 1.518 ( 3.912 6.184 3.262) 8.012 1.563 ( 1.527 1.651 -0.479) 2.299 1.626 ( 5.659 7.910 -0.809) 9.760 1.755 ( -1.888 5.028 -2.319) 5.850 1.776 ( 1.287 4.601 -3.052) 5.669 1.879 ( 4.627 5.068 2.392) 7.268 1.911 ( 5.592 6.287 1.209) 8.501 2.186 ( -1.142 2.490 -0.791) 2.851 2.224 ( -0.874 5.191 -1.714) 5.536 2.280 ( -1.000 3.245 1.802) 3.844 2.319 ( -1.286 0.200 0.105) 1.306 2.363 ( -1.954 -1.303 1.218) 2.646 2.387 ( 1.534 7.732 -0.111) 7.884 2.430 ( 0.905 7.093 -1.907) 7.400 2.436 ( -0.572 0.396 -0.453) 0.830 2.508 ( 0.679 6.714 0.730) 6.788 2.522 ( 2.887 1.106 1.128) 3.291 2.550 ( 1.990 6.331 0.355) 6.646 2.578 ( 3.168 1.225 -0.723) 3.472 2.637 ( 0.046 6.126 -0.572) 6.153 2.650 ( -0.248 6.547 -0.671) 6.586 2.725 ( -0.222 0.432 0.638) 0.801 2.735 ( 0.124 7.283 0.313) 7.291 3.297 ( -13.927 -1.653 0.420) 14.031 3.316 ( -13.646 -3.333 -0.346) 14.051 3.889 ( 2.435 1.467 1.307) 3.129 3.951 ( 0.986 2.726 -1.423) 3.230 4.006 ( -1.766 3.538 3.320) 5.163 4.093 ( -2.419 2.832 0.299) 3.736 4.128 ( -1.964 1.614 -0.143) 2.547 4.136 ( -2.413 0.688 -0.032) 2.509 4.175 ( -1.310 2.101 -0.865) 2.622 4.203 ( -1.484 4.235 -2.253) 5.022 4.310 ( 2.072 -1.339 -0.449) 2.507 4.323 ( 1.516 -0.656 -1.137) 2.005 4.356 ( 2.304 -0.529 -0.628) 2.446 4.364 ( 1.785 3.995 -0.805) 4.449 4.407 ( 1.395 -2.915 1.358) 3.505 4.449 ( 0.093 -2.726 -0.010) 2.728 4.467 ( 0.308 0.308 5.010) 5.029 4.705 ( -4.133 -0.476 -5.557) 6.941 4.794 ( -0.167 -0.138 0.621) 0.658 4.829 ( 0.100 1.875 -0.649) 1.986 4.864 ( -1.093 0.325 1.173) 1.636 4.908 ( -0.743 1.136 -0.719) 1.536 4.930 ( -1.168 1.343 0.531) 1.858 4.954 ( -1.589 1.889 -0.275) 2.484 4.983 ( -1.153 3.264 0.132) 3.464 5.008 ( -0.714 4.381 -0.372) 4.454 5.132 ( 5.231 -1.416 0.187) 5.422 5.166 ( 2.526 -0.344 -1.360) 2.889 5.243 ( 1.237 -0.781 1.445) 2.057 5.285 ( 3.913 -3.042 -0.583) 4.991 5.346 ( 1.037 -0.856 1.284) 1.859 5.397 ( 1.251 -0.521 -1.645) 2.131 5.443 ( 1.562 -2.402 0.436) 2.899 5.455 ( 1.933 -2.282 0.127) 2.993 5.594 ( 0.181 -0.534 0.488) 0.746 5.609 ( -0.034 -1.373 0.168) 1.384 5.750 ( -0.706 -3.790 0.356) 3.872 5.758 ( -0.749 -1.098 0.131) 1.336 ======================= Grid point 82 (33/63) ======================= q-point: ( 0.40 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.899 ( -0.071 8.294 0.498) 8.309 0.916 ( -1.832 7.292 -0.489) 7.535 0.981 ( 0.962 4.967 -0.246) 5.066 1.001 ( -0.837 4.761 0.066) 4.835 1.129 ( 1.639 5.218 -0.700) 5.514 1.136 ( 1.156 4.751 -2.109) 5.325 1.227 ( 0.514 2.428 0.124) 2.485 1.231 ( 0.189 2.017 -0.226) 2.038 1.332 ( 1.528 5.294 2.620) 6.101 1.375 ( -2.095 4.258 3.534) 5.916 1.484 ( 2.875 4.519 -3.170) 6.223 1.530 ( -1.436 3.960 -2.028) 4.675 1.642 ( 3.052 3.197 3.243) 5.482 1.690 ( -2.395 4.311 0.913) 5.015 1.729 ( 3.170 6.230 -1.790) 7.215 1.777 ( -1.364 5.129 -2.677) 5.944 2.087 ( 11.654 6.240 1.090) 13.264 2.112 ( 10.825 5.003 0.075) 11.926 2.184 ( 0.371 5.214 -1.362) 5.401 2.209 ( 1.190 4.605 -1.342) 4.942 2.253 ( -1.094 1.502 1.640) 2.479 2.289 ( -0.159 -1.060 -0.543) 1.202 2.318 ( -3.813 0.564 0.125) 3.856 2.360 ( -4.047 2.167 -0.051) 4.591 2.450 ( 1.728 9.248 0.087) 9.408 2.482 ( 0.552 8.475 -0.027) 8.493 2.515 ( 2.455 9.525 0.781) 9.867 2.560 ( -0.619 7.610 -0.860) 7.683 2.606 ( 3.808 2.601 1.177) 4.760 2.634 ( 0.516 3.631 -0.358) 3.685 2.660 ( 3.608 3.589 -0.187) 5.093 2.671 ( 3.736 0.337 -0.646) 3.806 2.731 ( 2.606 -0.583 1.472) 3.049 2.752 ( 3.254 4.145 0.145) 5.272 2.966 ( -18.089 -1.963 0.747) 18.210 2.987 ( -18.242 -2.773 -0.104) 18.452 3.949 ( 3.304 1.349 0.725) 3.641 3.970 ( 0.682 2.484 -0.082) 2.577 3.985 ( -0.213 3.998 2.049) 4.497 4.031 ( -3.681 2.115 0.469) 4.271 4.091 ( -0.954 0.043 0.117) 0.962 4.099 ( -1.456 -0.051 -0.179) 1.468 4.161 ( -0.024 2.562 -1.500) 2.969 4.174 ( -1.247 3.027 -1.996) 3.835 4.348 ( 1.263 -1.535 -0.217) 2.000 4.353 ( 1.253 0.007 -0.685) 1.428 4.376 ( 0.467 -0.838 0.216) 0.983 4.390 ( 0.130 2.190 -0.539) 2.259 4.431 ( 0.979 0.838 1.429) 1.924 4.453 ( -0.697 2.237 1.988) 3.073 4.503 ( 4.506 -1.112 -0.713) 4.696 4.607 ( -5.607 -0.201 -3.586) 6.658 4.802 ( 0.992 -0.583 1.151) 1.628 4.830 ( -1.373 -1.014 1.227) 2.102 4.839 ( 0.395 1.470 0.079) 1.524 4.867 ( -2.097 0.919 -0.011) 2.289 4.929 ( 0.156 2.469 0.162) 2.479 4.938 ( -0.500 2.781 0.218) 2.834 4.978 ( 0.767 3.811 -0.684) 3.947 4.996 ( -0.823 4.466 -0.851) 4.620 5.178 ( 0.559 0.099 0.185) 0.598 5.186 ( -0.052 0.678 0.036) 0.681 5.303 ( 3.242 -2.838 1.036) 4.432 5.331 ( -0.083 -2.356 -0.047) 2.358 5.394 ( 3.660 -1.828 0.350) 4.106 5.434 ( 2.168 -1.481 -1.370) 2.961 5.457 ( -0.108 -3.132 0.082) 3.135 5.482 ( -0.101 -2.819 -0.960) 2.980 5.599 ( 0.325 -1.013 0.651) 1.247 5.606 ( -0.305 -1.466 0.577) 1.605 5.739 ( -0.208 -2.160 0.047) 2.171 5.743 ( -0.588 -1.178 -0.098) 1.320 ======================= Grid point 85 (34/63) ======================= q-point: ( 0.00 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.958 ( 0.000 -1.256 -0.002) 1.256 0.972 ( 0.000 0.486 -0.646) 0.809 1.023 ( 0.000 1.275 0.709) 1.459 1.054 ( 0.000 1.133 -0.764) 1.367 1.218 ( 0.000 4.229 0.743) 4.294 1.252 ( 0.000 4.539 0.573) 4.575 1.264 ( 0.000 2.128 -1.141) 2.415 1.298 ( 0.000 4.889 0.182) 4.892 1.382 ( 0.000 4.014 4.174) 5.791 1.388 ( 0.000 7.004 0.461) 7.019 1.418 ( 0.000 4.173 3.356) 5.355 1.575 ( 0.000 6.255 -1.398) 6.409 1.631 ( 0.000 4.261 1.067) 4.392 1.679 ( 0.000 3.005 -2.089) 3.660 1.822 ( 0.000 0.172 -1.239) 1.251 1.866 ( 0.000 5.719 -2.821) 6.377 1.922 ( 0.000 3.448 0.034) 3.448 1.952 ( 0.000 2.334 -2.233) 3.230 2.127 ( 0.000 -5.967 0.233) 5.971 2.162 ( 0.000 -9.037 -1.291) 9.129 2.296 ( 0.000 -1.660 2.127) 2.698 2.315 ( 0.000 -0.164 0.704) 0.723 2.366 ( 0.000 -2.117 1.428) 2.554 2.402 ( 0.000 -1.470 -0.861) 1.704 2.467 ( 0.000 -1.643 0.207) 1.656 2.470 ( 0.000 -0.937 -0.170) 0.952 2.613 ( 0.000 10.613 2.060) 10.812 2.664 ( 0.000 6.170 0.507) 6.191 2.696 ( 0.000 13.920 0.489) 13.929 2.715 ( 0.000 7.874 -0.396) 7.883 2.753 ( 0.000 6.875 -0.527) 6.895 2.785 ( 0.000 5.604 -1.069) 5.705 2.873 ( 0.000 13.273 1.323) 13.339 2.924 ( 0.000 11.540 -0.961) 11.580 3.392 ( 0.000 -2.568 0.298) 2.586 3.408 ( 0.000 -1.597 -0.404) 1.647 3.923 ( 0.000 4.023 1.399) 4.259 4.001 ( 0.000 2.578 -2.341) 3.482 4.048 ( 0.000 -2.672 2.022) 3.351 4.089 ( 0.000 -6.450 0.734) 6.491 4.179 ( 0.000 0.738 0.054) 0.740 4.192 ( 0.000 0.843 -0.519) 0.991 4.201 ( 0.000 0.070 0.238) 0.248 4.215 ( 0.000 -2.036 -0.640) 2.134 4.232 ( 0.000 0.843 0.573) 1.019 4.297 ( 0.000 -1.655 1.514) 2.243 4.312 ( 0.000 3.106 -2.801) 4.183 4.374 ( 0.000 -1.401 -1.903) 2.363 4.395 ( 0.000 3.530 1.237) 3.741 4.455 ( 0.000 3.648 -1.431) 3.919 4.514 ( 0.000 2.537 3.071) 3.983 4.716 ( 0.000 -2.700 -4.543) 5.285 4.807 ( 0.000 1.767 1.498) 2.316 4.867 ( 0.000 1.805 -1.147) 2.138 4.928 ( 0.000 1.820 -2.224) 2.874 4.929 ( 0.000 1.694 0.289) 1.719 4.950 ( 0.000 -0.943 0.436) 1.039 4.970 ( 0.000 -1.195 -1.208) 1.699 5.032 ( 0.000 0.460 0.939) 1.045 5.080 ( 0.000 0.880 -1.058) 1.377 5.090 ( 0.000 2.060 0.807) 2.213 5.101 ( 0.000 2.819 -0.183) 2.825 5.213 ( 0.000 -1.166 2.088) 2.391 5.268 ( 0.000 0.856 -0.899) 1.241 5.300 ( 0.000 -2.214 2.561) 3.386 5.361 ( 0.000 -1.878 -0.554) 1.958 5.381 ( 0.000 -1.588 0.638) 1.711 5.394 ( 0.000 -1.774 0.358) 1.810 5.602 ( 0.000 1.194 0.165) 1.206 5.604 ( 0.000 0.482 0.039) 0.484 5.696 ( 0.000 -1.996 0.791) 2.147 5.747 ( 0.000 -0.903 -1.219) 1.517 ======================= Grid point 86 (35/63) ======================= q-point: ( 0.20 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.963 ( 0.582 -0.718 0.126) 0.933 0.980 ( 0.542 0.514 -0.575) 0.942 1.032 ( 0.525 0.871 0.638) 1.201 1.057 ( -0.050 0.618 -0.315) 0.695 1.219 ( 0.087 3.512 0.231) 3.521 1.243 ( -0.744 3.072 0.000) 3.161 1.268 ( 0.136 2.230 -0.381) 2.267 1.282 ( -1.193 3.573 0.092) 3.768 1.395 ( 1.304 4.183 4.919) 6.587 1.455 ( 2.994 5.004 3.231) 6.666 1.515 ( 7.040 8.149 -1.964) 10.946 1.613 ( 4.446 5.191 -0.716) 6.872 1.629 ( 0.416 4.441 1.308) 4.648 1.743 ( 5.878 3.779 -2.769) 7.517 1.801 ( -2.024 1.032 -1.239) 2.587 1.873 ( 0.481 4.811 -3.484) 5.960 1.955 ( 5.011 3.160 1.276) 6.059 1.992 ( 6.251 2.518 -0.691) 6.775 2.146 ( 1.465 -4.841 -0.419) 5.075 2.171 ( 1.185 -7.521 -1.301) 7.724 2.272 ( -2.044 -1.926 1.426) 3.150 2.310 ( -3.041 -1.768 -0.128) 3.520 2.334 ( -0.476 -1.112 1.720) 2.102 2.408 ( -0.624 -1.992 -1.907) 2.827 2.470 ( 1.956 -0.797 1.358) 2.511 2.491 ( 2.121 -1.654 0.216) 2.698 2.640 ( 2.067 9.422 2.306) 9.918 2.683 ( 1.608 6.986 0.761) 7.209 2.696 ( -0.119 9.964 0.620) 9.984 2.721 ( 0.739 9.716 -0.312) 9.749 2.768 ( 1.441 7.982 -0.856) 8.156 2.783 ( -0.161 6.363 -0.984) 6.440 2.856 ( -1.591 12.383 1.503) 12.575 2.916 ( -0.871 11.341 -1.161) 11.433 3.254 ( -13.595 -2.212 0.311) 13.777 3.274 ( -13.121 -1.379 -0.535) 13.205 3.937 ( 1.360 3.277 1.257) 3.764 4.003 ( 0.187 1.447 -2.049) 2.515 4.037 ( -0.675 -1.728 2.036) 2.755 4.075 ( -1.236 -4.245 0.854) 4.503 4.122 ( -2.917 0.106 0.172) 2.924 4.146 ( -3.755 0.581 1.160) 3.973 4.193 ( -0.689 1.070 -1.872) 2.263 4.219 ( -1.170 0.277 -0.881) 1.491 4.276 ( 3.713 -0.974 -0.101) 3.840 4.328 ( 2.031 1.035 -1.110) 2.536 4.335 ( 1.621 0.378 0.186) 1.675 4.385 ( 0.812 -0.862 -1.102) 1.617 4.423 ( 2.334 2.575 1.059) 3.634 4.468 ( 1.546 3.157 -1.033) 3.663 4.517 ( 0.251 2.517 2.145) 3.316 4.682 ( -3.240 -1.986 -4.550) 5.929 4.803 ( -0.317 1.318 1.682) 2.161 4.857 ( -1.371 1.127 -0.267) 1.795 4.878 ( -1.902 0.718 0.357) 2.064 4.918 ( -1.914 0.474 -0.047) 1.973 4.961 ( 0.230 1.170 -0.066) 1.194 4.974 ( 0.826 0.898 -1.816) 2.187 5.048 ( -0.874 2.900 0.865) 3.150 5.077 ( 0.899 1.690 -0.696) 2.037 5.121 ( 3.985 0.893 1.162) 4.246 5.164 ( 3.408 -0.171 -1.249) 3.634 5.223 ( 2.365 -1.764 1.041) 3.128 5.261 ( -0.579 0.492 -0.722) 1.048 5.310 ( 0.746 -2.505 2.787) 3.821 5.369 ( 0.729 -2.336 -0.292) 2.464 5.410 ( 2.123 -0.901 0.194) 2.315 5.416 ( 2.020 -1.471 0.052) 2.499 5.600 ( -0.121 0.904 0.206) 0.935 5.604 ( -0.053 0.751 0.198) 0.778 5.699 ( 0.300 -1.677 0.499) 1.775 5.740 ( -0.642 -0.843 -1.115) 1.538 ======================= Grid point 87 (36/63) ======================= q-point: ( 0.40 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.978 ( 0.818 0.532 0.316) 1.026 0.987 ( 0.039 1.195 -0.032) 1.196 1.038 ( 0.287 0.613 0.249) 0.721 1.048 ( -0.713 0.320 -0.056) 0.784 1.220 ( 0.002 2.570 0.099) 2.571 1.227 ( -0.776 2.786 0.151) 2.896 1.262 ( -0.125 0.804 0.280) 0.860 1.268 ( -0.469 1.099 -0.279) 1.227 1.433 ( 2.391 6.274 3.569) 7.604 1.471 ( -1.074 5.735 2.714) 6.435 1.587 ( 2.084 5.836 -3.410) 7.073 1.616 ( -0.910 4.588 -2.706) 5.404 1.712 ( 2.786 4.199 3.064) 5.897 1.753 ( -2.165 3.036 1.768) 4.127 1.834 ( 2.803 4.485 -2.694) 5.935 1.869 ( -0.985 4.159 -3.153) 5.311 2.126 ( 7.918 -1.822 0.573) 8.145 2.165 ( 3.763 -1.849 -1.195) 4.360 2.217 ( -0.899 -3.135 -0.255) 3.271 2.222 ( 5.545 1.053 -0.419) 5.660 2.235 ( 5.944 -1.807 -0.147) 6.214 2.237 ( -0.860 -2.110 0.137) 2.283 2.322 ( -1.894 0.446 1.043) 2.207 2.369 ( -3.545 -0.166 -1.056) 3.703 2.572 ( 9.361 -1.621 0.559) 9.517 2.592 ( 10.026 -2.633 0.107) 10.366 2.674 ( 1.626 7.378 2.215) 7.873 2.685 ( -0.819 7.899 1.176) 8.028 2.717 ( 0.772 8.083 0.854) 8.164 2.739 ( 0.988 9.347 -0.527) 9.414 2.780 ( -0.143 7.216 -0.210) 7.220 2.790 ( -0.346 9.530 -0.321) 9.542 2.821 ( -2.167 9.237 1.459) 9.599 2.891 ( -1.989 9.449 -1.526) 9.776 2.920 ( -18.492 -1.274 0.744) 18.551 2.968 ( -14.691 1.580 -1.184) 14.823 3.970 ( 1.900 1.057 0.633) 2.264 4.000 ( -0.847 -0.717 -0.864) 1.406 4.037 ( 0.791 -1.283 1.443) 2.086 4.055 ( -0.518 -2.065 0.339) 2.156 4.076 ( -1.687 2.445 1.037) 3.147 4.084 ( -2.257 2.182 1.419) 3.445 4.186 ( 0.166 1.129 -2.367) 2.628 4.198 ( -0.944 1.047 -1.946) 2.403 4.327 ( 1.539 -0.474 0.188) 1.621 4.345 ( -0.399 0.004 0.566) 0.693 4.369 ( 2.041 0.094 -0.644) 2.142 4.394 ( -0.276 -0.427 -0.658) 0.832 4.474 ( 2.658 2.076 0.538) 3.416 4.504 ( 0.376 2.052 -0.219) 2.097 4.526 ( 2.227 2.200 -0.311) 3.146 4.603 ( -4.582 -0.411 -3.211) 5.611 4.802 ( 0.360 0.581 1.976) 2.091 4.821 ( -1.634 0.148 1.940) 2.540 4.866 ( 0.210 1.279 -0.551) 1.408 4.883 ( -1.483 0.818 -0.385) 1.737 4.966 ( 0.627 1.343 0.385) 1.531 4.981 ( -0.579 1.648 0.108) 1.751 5.045 ( 0.966 2.761 -0.757) 3.022 5.070 ( -1.197 2.826 -1.363) 3.359 5.191 ( 1.265 0.951 0.571) 1.682 5.198 ( 1.145 0.026 0.493) 1.247 5.257 ( 1.040 -1.514 0.258) 1.855 5.273 ( 0.258 -3.159 -0.030) 3.170 5.359 ( 4.320 -1.616 1.107) 4.743 5.398 ( 2.409 -2.099 -0.496) 3.234 5.422 ( -1.250 -0.875 0.383) 1.573 5.439 ( -0.503 -1.648 -0.336) 1.755 5.599 ( 0.029 0.829 0.383) 0.914 5.602 ( -0.179 0.812 0.400) 0.923 5.709 ( 0.749 -1.098 -0.172) 1.340 5.725 ( -0.861 -0.828 -0.780) 1.427 ======================= Grid point 90 (37/63) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.932 ( 0.000 -1.103 -0.022) 1.103 0.946 ( 0.000 -2.310 -0.772) 2.436 1.014 ( 0.000 -1.927 0.758) 2.071 1.038 ( 0.000 -2.548 0.274) 2.563 1.208 ( 0.000 -2.750 0.916) 2.899 1.266 ( 0.000 -1.662 -1.171) 2.033 1.266 ( 0.000 -1.540 1.884) 2.433 1.286 ( 0.000 -4.248 0.488) 4.275 1.512 ( 0.000 5.593 0.913) 5.668 1.524 ( 0.000 7.987 1.703) 8.166 1.548 ( 0.000 6.217 -0.391) 6.230 1.682 ( 0.000 0.198 -4.275) 4.279 1.717 ( 0.000 2.478 -1.139) 2.727 1.731 ( 0.000 8.183 -0.937) 8.237 1.832 ( 0.000 2.023 2.487) 3.206 1.949 ( 0.000 2.219 -2.782) 3.559 1.976 ( 0.000 2.071 -0.311) 2.094 1.982 ( 0.000 -0.284 -1.120) 1.155 2.023 ( 0.000 -2.946 -0.301) 2.962 2.028 ( 0.000 -3.109 0.124) 3.111 2.236 ( 0.000 -4.675 4.484) 6.477 2.282 ( 0.000 -4.723 2.225) 5.221 2.323 ( 0.000 -0.630 1.360) 1.499 2.368 ( 0.000 -1.622 -1.229) 2.034 2.426 ( 0.000 -1.727 1.501) 2.288 2.445 ( 0.000 -1.427 0.129) 1.433 2.754 ( 0.000 4.031 0.309) 4.043 2.818 ( 0.000 9.285 0.530) 9.300 2.845 ( 0.000 5.449 1.253) 5.591 2.862 ( 0.000 3.087 -1.724) 3.536 2.887 ( 0.000 5.851 -0.682) 5.890 2.913 ( 0.000 7.953 -1.653) 8.123 3.097 ( 0.000 8.629 -0.135) 8.630 3.138 ( 0.000 8.383 -2.326) 8.700 3.362 ( 0.000 -0.481 1.368) 1.450 3.387 ( 0.000 -0.290 0.573) 0.642 3.939 ( 0.000 -4.972 0.368) 4.986 3.952 ( 0.000 -4.391 -0.180) 4.394 4.013 ( 0.000 3.779 1.508) 4.069 4.079 ( 0.000 2.245 -1.263) 2.576 4.205 ( 0.000 1.478 0.177) 1.489 4.208 ( 0.000 2.480 -0.229) 2.490 4.218 ( 0.000 1.592 -0.027) 1.592 4.225 ( 0.000 1.366 -0.568) 1.479 4.265 ( 0.000 1.468 1.180) 1.883 4.305 ( 0.000 2.322 1.902) 3.001 4.335 ( 0.000 0.547 -2.791) 2.845 4.387 ( 0.000 1.580 -0.987) 1.862 4.450 ( 0.000 2.150 0.984) 2.365 4.502 ( 0.000 1.207 -1.222) 1.718 4.541 ( 0.000 0.395 1.300) 1.358 4.650 ( 0.000 -4.080 -2.808) 4.953 4.852 ( 0.000 2.524 0.547) 2.583 4.897 ( 0.000 1.287 -1.290) 1.822 4.924 ( 0.000 -0.215 -1.140) 1.160 4.956 ( 0.000 -0.385 -1.893) 1.932 4.961 ( 0.000 1.602 0.909) 1.842 4.973 ( 0.000 1.574 -0.578) 1.677 5.029 ( 0.000 -0.378 0.891) 0.968 5.069 ( 0.000 -1.408 -1.248) 1.882 5.125 ( 0.000 0.828 3.123) 3.231 5.148 ( 0.000 1.665 0.362) 1.704 5.196 ( 0.000 -0.450 1.233) 1.312 5.235 ( 0.000 -3.084 2.676) 4.083 5.285 ( 0.000 -0.466 -1.582) 1.649 5.308 ( 0.000 -2.915 -0.389) 2.940 5.363 ( 0.000 -0.476 0.562) 0.736 5.375 ( 0.000 -0.590 -0.151) 0.609 5.619 ( 0.000 0.954 0.278) 0.994 5.630 ( 0.000 1.519 -0.114) 1.523 5.673 ( 0.000 -0.589 0.784) 0.980 5.728 ( 0.000 -1.119 -1.394) 1.788 ======================= Grid point 91 (38/63) ======================= q-point: ( 0.20 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.944 ( 1.152 -0.996 -0.095) 1.526 0.956 ( 0.953 -2.138 -0.598) 2.416 1.018 ( 0.269 -1.991 0.620) 2.103 1.038 ( -0.207 -2.384 0.121) 2.396 1.212 ( 0.359 -2.669 0.890) 2.836 1.248 ( -1.350 -1.300 0.615) 1.972 1.262 ( -0.826 -2.153 0.166) 2.312 1.272 ( -1.129 -3.621 -0.143) 3.796 1.536 ( 1.739 6.580 1.577) 6.987 1.575 ( 2.949 7.803 2.465) 8.699 1.656 ( 6.174 5.372 -1.073) 8.254 1.683 ( 0.097 1.326 -3.449) 3.696 1.742 ( 2.607 6.869 -0.395) 7.358 1.790 ( 6.954 1.596 -2.191) 7.463 1.836 ( 0.480 2.887 1.728) 3.399 1.939 ( -0.456 1.200 -2.899) 3.170 1.985 ( 1.719 0.299 0.343) 1.778 2.028 ( 3.868 0.441 -1.557) 4.193 2.055 ( 4.875 -1.320 0.861) 5.123 2.068 ( 5.210 -3.174 -0.557) 6.127 2.205 ( -2.887 -4.769 3.726) 6.705 2.243 ( -3.686 -4.740 1.869) 6.289 2.325 ( 0.588 0.094 0.839) 1.028 2.369 ( 0.173 -1.463 -1.395) 2.029 2.437 ( 1.170 -2.082 1.438) 2.788 2.448 ( 0.588 -2.201 0.343) 2.304 2.751 ( 0.170 4.051 1.398) 4.288 2.826 ( -0.921 5.524 0.926) 5.677 2.847 ( 0.168 3.213 -1.678) 3.629 2.875 ( 2.394 8.867 1.311) 9.277 2.884 ( 0.189 5.107 -0.466) 5.132 2.950 ( 2.437 8.192 -1.469) 8.672 3.069 ( -2.951 7.943 -0.521) 8.489 3.117 ( -2.960 6.436 -3.325) 7.825 3.235 ( -12.086 0.814 1.729) 12.236 3.269 ( -10.539 1.815 0.678) 10.716 3.943 ( 0.557 -4.056 0.453) 4.119 3.958 ( 0.642 -3.720 -0.223) 3.782 4.010 ( -0.368 2.900 1.294) 3.197 4.060 ( -1.810 1.082 -0.846) 2.272 4.173 ( -1.339 3.853 1.058) 4.214 4.187 ( -1.693 3.678 0.692) 4.108 4.226 ( -0.120 2.177 -1.345) 2.562 4.236 ( 0.657 1.426 -0.923) 1.821 4.285 ( 2.121 0.997 0.928) 2.521 4.327 ( 1.374 0.688 1.450) 2.113 4.353 ( 1.354 0.038 -2.176) 2.563 4.388 ( -0.120 0.797 -0.990) 1.277 4.465 ( 1.429 1.715 0.940) 2.423 4.507 ( 0.778 0.856 -1.064) 1.572 4.546 ( 0.338 0.465 0.767) 0.958 4.629 ( -1.976 -3.443 -2.711) 4.808 4.839 ( -1.082 2.185 0.755) 2.553 4.873 ( -2.491 0.838 0.386) 2.656 4.894 ( -0.703 0.911 -0.997) 1.523 4.925 ( -1.866 0.129 -0.923) 2.086 4.976 ( 0.346 0.922 0.466) 1.090 4.998 ( 1.387 1.191 -1.177) 2.174 5.078 ( 1.579 -0.628 0.772) 1.866 5.082 ( 1.586 0.481 0.034) 1.658 5.147 ( 1.671 0.348 0.732) 1.857 5.159 ( 2.777 0.155 -0.289) 2.796 5.199 ( 0.679 -0.450 1.335) 1.563 5.241 ( 0.407 -2.496 1.878) 3.150 5.280 ( 0.194 -0.699 -0.512) 0.887 5.319 ( 1.168 -2.561 -0.533) 2.865 5.395 ( 2.384 -0.568 0.340) 2.474 5.401 ( 1.838 -0.455 0.065) 1.894 5.619 ( 0.037 1.091 0.372) 1.153 5.630 ( -0.063 1.598 0.127) 1.604 5.677 ( 0.487 -0.727 0.366) 0.948 5.722 ( -0.562 -1.077 -1.286) 1.769 ======================= Grid point 92 (39/63) ======================= q-point: ( 0.40 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.970 ( 1.277 -1.040 0.069) 1.648 0.976 ( 0.792 -1.459 -0.045) 1.661 1.020 ( -0.013 -1.922 -0.062) 1.923 1.027 ( -0.767 -2.068 -0.383) 2.239 1.220 ( 0.291 -2.534 0.554) 2.610 1.225 ( -0.706 -1.503 0.416) 1.712 1.242 ( -0.519 -2.443 0.418) 2.532 1.251 ( -1.012 -2.682 -0.109) 2.869 1.573 ( 1.846 6.991 1.665) 7.420 1.597 ( -0.360 7.243 2.086) 7.546 1.685 ( 0.203 2.697 -2.174) 3.470 1.688 ( -0.112 4.515 -1.511) 4.762 1.800 ( 1.844 4.320 1.506) 4.933 1.828 ( -1.026 3.845 1.419) 4.225 1.899 ( 2.812 1.831 -2.840) 4.396 1.929 ( -0.820 1.700 -2.983) 3.530 2.034 ( 3.314 -4.423 0.881) 5.597 2.083 ( 1.732 -5.346 -1.370) 5.784 2.121 ( -2.809 -4.785 1.745) 5.817 2.160 ( -3.464 -4.906 0.091) 6.007 2.260 ( 9.002 3.200 0.584) 9.572 2.284 ( 9.313 3.408 -0.487) 9.929 2.339 ( 0.869 1.233 0.937) 1.776 2.369 ( -0.558 0.209 -0.813) 1.008 2.508 ( 10.122 -4.203 0.860) 10.994 2.525 ( 10.727 -3.918 0.316) 11.424 2.758 ( -1.164 3.237 1.807) 3.885 2.794 ( -2.881 4.287 1.213) 5.306 2.834 ( -9.309 0.860 -0.106) 9.349 2.854 ( -8.629 1.302 -0.109) 8.727 2.870 ( -7.123 1.285 0.004) 7.238 2.882 ( -5.456 2.090 0.046) 5.842 2.963 ( 2.854 10.020 0.403) 10.426 3.043 ( -4.480 10.542 2.014) 11.630 3.069 ( 1.570 8.245 -3.455) 9.076 3.128 ( -3.753 9.606 -1.398) 10.408 3.962 ( 1.320 -1.976 0.355) 2.403 3.974 ( 0.754 -1.362 -0.305) 1.587 3.999 ( -0.547 -0.191 0.910) 1.079 4.019 ( -2.146 -0.864 -0.050) 2.314 4.158 ( -0.236 4.824 1.525) 5.065 4.163 ( -0.761 5.032 1.256) 5.242 4.231 ( 0.650 3.316 -1.810) 3.834 4.241 ( -0.171 3.107 -1.400) 3.412 4.322 ( 1.248 -0.293 0.626) 1.427 4.337 ( -0.361 -0.582 1.129) 1.321 4.372 ( 1.009 -0.349 -1.365) 1.733 4.387 ( -0.171 -0.335 -1.011) 1.079 4.500 ( 1.963 0.728 0.299) 2.115 4.525 ( 0.128 0.169 -0.932) 0.956 4.552 ( 0.726 0.244 -0.105) 0.773 4.584 ( -2.298 -1.532 -1.799) 3.296 4.823 ( -0.254 1.578 1.260) 2.035 4.834 ( -1.377 1.259 1.370) 2.315 4.886 ( -0.035 0.699 -0.979) 1.203 4.896 ( -1.074 0.394 -0.884) 1.446 4.987 ( 0.897 1.065 0.834) 1.623 5.006 ( -0.666 1.066 0.185) 1.270 5.077 ( 0.798 0.408 0.029) 0.897 5.101 ( -1.061 0.173 -0.938) 1.426 5.187 ( 2.065 -0.518 0.708) 2.243 5.204 ( 0.666 0.220 0.719) 1.004 5.219 ( 0.911 -1.928 -0.440) 2.177 5.238 ( -0.799 -1.061 -0.402) 1.388 5.336 ( 4.912 -0.750 0.838) 5.040 5.363 ( 3.277 -1.599 -0.240) 3.655 5.408 ( -1.545 -0.587 0.426) 1.707 5.416 ( -0.977 -0.876 0.159) 1.322 5.622 ( 0.212 1.366 0.516) 1.475 5.627 ( -0.279 1.568 0.472) 1.661 5.691 ( 0.889 -0.875 -0.412) 1.314 5.708 ( -0.841 -0.987 -0.970) 1.620 ======================= Grid point 95 (40/63) ======================= q-point: ( 0.00 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.915 ( 0.000 -0.200 -0.044) 0.205 0.925 ( 0.000 0.275 -0.506) 0.576 0.961 ( 0.000 -2.627 0.772) 2.738 0.977 ( 0.000 -3.086 0.344) 3.105 1.164 ( 0.000 -0.845 -0.886) 1.224 1.194 ( 0.000 -3.845 -1.226) 4.036 1.234 ( 0.000 -0.985 0.247) 1.016 1.237 ( 0.000 -1.164 0.679) 1.347 1.596 ( 0.000 2.962 0.213) 2.969 1.611 ( 0.000 2.240 -4.523) 5.047 1.618 ( 0.000 0.883 -1.066) 1.384 1.652 ( 0.000 -2.307 -6.340) 6.746 1.817 ( 0.000 6.077 2.722) 6.659 1.860 ( 0.000 3.815 -0.252) 3.823 1.882 ( 0.000 2.617 3.043) 4.013 1.940 ( 0.000 -1.897 -0.910) 2.104 1.958 ( 0.000 -0.015 0.785) 0.785 1.979 ( 0.000 -1.329 0.328) 1.368 2.036 ( 0.000 1.593 0.103) 1.596 2.039 ( 0.000 1.996 0.672) 2.106 2.138 ( 0.000 -3.836 5.074) 6.361 2.168 ( 0.000 -5.746 4.188) 7.110 2.328 ( 0.000 0.733 0.391) 0.831 2.345 ( 0.000 -0.957 -0.441) 1.054 2.409 ( 0.000 -0.058 0.830) 0.832 2.420 ( 0.000 -1.043 0.297) 1.085 2.824 ( 0.000 3.079 -1.649) 3.492 2.865 ( 0.000 -0.928 -2.985) 3.126 2.926 ( 0.000 2.816 1.180) 3.053 2.947 ( 0.000 0.908 0.245) 0.941 2.982 ( 0.000 5.174 0.791) 5.235 3.015 ( 0.000 1.993 -0.636) 2.092 3.200 ( 0.000 2.601 -3.084) 4.034 3.217 ( 0.000 0.776 -4.288) 4.357 3.372 ( 0.000 1.251 2.569) 2.857 3.390 ( 0.000 -0.177 2.079) 2.087 3.879 ( 0.000 -1.251 0.602) 1.388 3.886 ( 0.000 -1.921 0.282) 1.942 4.080 ( 0.000 2.598 0.707) 2.693 4.105 ( 0.000 0.161 -0.280) 0.323 4.232 ( 0.000 1.080 -0.001) 1.080 4.239 ( 0.000 0.497 -0.246) 0.554 4.248 ( 0.000 1.165 0.080) 1.167 4.258 ( 0.000 0.511 -0.387) 0.641 4.294 ( 0.000 2.296 0.685) 2.396 4.334 ( 0.000 -1.218 -1.110) 1.648 4.383 ( 0.000 4.969 1.455) 5.178 4.422 ( 0.000 1.559 -0.013) 1.559 4.484 ( 0.000 1.476 0.480) 1.552 4.506 ( 0.000 -0.613 -0.306) 0.685 4.535 ( 0.000 -0.711 0.083) 0.716 4.563 ( 0.000 -4.271 -1.158) 4.425 4.898 ( 0.000 2.040 -0.734) 2.168 4.915 ( 0.000 0.362 -1.186) 1.240 4.933 ( 0.000 0.834 -1.881) 2.057 4.947 ( 0.000 -0.615 -2.414) 2.491 4.991 ( 0.000 1.391 0.908) 1.661 4.999 ( 0.000 1.089 0.365) 1.149 5.019 ( 0.000 -0.512 0.394) 0.646 5.037 ( 0.000 -1.756 -0.434) 1.809 5.125 ( 0.000 -0.043 3.735) 3.735 5.147 ( 0.000 -1.859 2.387) 3.026 5.196 ( 0.000 0.187 0.329) 0.378 5.198 ( 0.000 -0.301 0.996) 1.041 5.266 ( 0.000 -1.114 -1.081) 1.552 5.267 ( 0.000 -0.926 -1.710) 1.945 5.360 ( 0.000 0.089 0.367) 0.378 5.365 ( 0.000 -0.453 0.046) 0.455 5.637 ( 0.000 0.803 0.126) 0.813 5.647 ( 0.000 -0.075 -0.404) 0.411 5.677 ( 0.000 1.147 0.491) 1.248 5.703 ( 0.000 -1.394 -0.701) 1.561 ======================= Grid point 96 (41/63) ======================= q-point: ( 0.20 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.923 ( 0.911 -0.227 0.057) 0.941 0.938 ( 1.158 -0.205 -0.577) 1.310 0.967 ( 0.554 -2.169 0.809) 2.381 0.984 ( 0.501 -2.664 0.287) 2.726 1.167 ( 0.227 -0.978 -0.588) 1.164 1.191 ( -0.241 -3.416 -0.814) 3.520 1.221 ( -1.126 -1.081 -0.139) 1.567 1.222 ( -1.323 -1.213 0.367) 1.832 1.619 ( 2.646 2.820 -2.280) 4.489 1.658 ( 2.141 -1.271 -3.520) 4.311 1.715 ( 5.734 3.794 -0.644) 6.906 1.736 ( 6.497 1.403 -2.277) 7.026 1.830 ( 1.932 3.141 1.405) 3.947 1.851 ( -0.564 3.868 0.120) 3.911 1.879 ( -0.392 0.989 2.285) 2.520 1.927 ( -0.325 -1.851 -1.176) 2.217 2.006 ( 2.200 1.453 0.637) 2.713 2.027 ( 3.924 0.568 -1.043) 4.100 2.038 ( 3.268 -0.453 1.011) 3.451 2.058 ( 3.456 -0.532 0.438) 3.524 2.121 ( 0.428 -2.406 4.566) 5.179 2.147 ( -0.774 -4.314 3.462) 5.586 2.335 ( 0.814 0.815 0.255) 1.180 2.351 ( 0.642 -0.738 -0.560) 1.127 2.407 ( -0.269 -0.732 0.644) 1.011 2.413 ( -0.566 -1.258 0.253) 1.402 2.820 ( -0.023 3.000 -0.462) 3.035 2.860 ( -0.158 -0.895 -1.822) 2.036 2.908 ( -1.512 2.845 1.133) 3.415 2.932 ( -1.257 0.478 0.210) 1.361 3.025 ( 2.937 4.921 0.969) 5.812 3.051 ( 1.042 2.008 -0.128) 2.265 3.143 ( -7.227 1.329 -3.564) 8.167 3.160 ( -6.040 -0.099 -4.497) 7.532 3.287 ( -6.235 3.204 2.729) 7.522 3.314 ( -5.315 0.860 1.563) 5.606 3.896 ( 1.686 -0.897 0.585) 1.997 3.903 ( 1.717 -1.632 0.230) 2.379 4.062 ( -1.908 1.965 0.517) 2.788 4.078 ( -2.584 0.337 -0.146) 2.610 4.239 ( 0.663 2.346 0.347) 2.463 4.249 ( 0.881 1.166 -0.176) 1.472 4.259 ( 0.911 1.648 0.183) 1.892 4.268 ( 1.069 1.135 -0.185) 1.570 4.302 ( 0.755 1.135 0.592) 1.486 4.338 ( 0.296 -1.799 -0.902) 2.034 4.367 ( -1.349 3.317 0.977) 3.712 4.404 ( -1.681 0.366 -0.723) 1.866 4.493 ( 0.835 1.248 0.609) 1.620 4.511 ( 0.664 -0.111 -0.158) 0.692 4.538 ( 0.029 -1.015 -0.168) 1.029 4.559 ( -0.333 -3.121 -1.102) 3.327 4.882 ( -1.428 2.190 -0.703) 2.707 4.895 ( -1.895 1.128 -0.510) 2.263 4.906 ( -1.131 0.145 -1.213) 1.664 4.917 ( -1.814 -1.060 -1.465) 2.561 5.000 ( 0.435 1.392 1.009) 1.774 5.014 ( 1.091 0.287 -0.090) 1.132 5.063 ( 1.186 -0.529 0.270) 1.326 5.073 ( 2.143 -1.135 -0.756) 2.540 5.142 ( 2.578 0.001 2.205) 3.392 5.155 ( 1.844 -1.054 1.713) 2.729 5.201 ( 0.402 0.306 0.554) 0.750 5.208 ( 0.890 -0.676 1.182) 1.627 5.266 ( 0.744 -0.365 -1.256) 1.505 5.277 ( 1.286 -1.527 -1.163) 2.311 5.390 ( 2.164 -0.027 0.365) 2.195 5.393 ( 1.971 -0.329 0.223) 2.011 5.640 ( 0.304 0.970 0.154) 1.029 5.652 ( 0.464 0.040 -0.471) 0.663 5.673 ( -0.297 0.837 0.478) 1.008 5.698 ( -0.496 -1.363 -0.661) 1.594 ======================= Grid point 97 (42/63) ======================= q-point: ( 0.40 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.948 ( 1.435 -0.290 0.297) 1.494 0.961 ( 0.766 -0.274 -0.090) 0.819 0.975 ( 0.233 -2.014 0.344) 2.057 0.986 ( -0.414 -1.980 0.089) 2.025 1.174 ( 0.582 -1.183 -0.149) 1.327 1.188 ( 0.126 -2.403 -0.373) 2.435 1.193 ( -1.374 -1.081 0.065) 1.750 1.200 ( -0.992 -1.774 -0.433) 2.078 1.683 ( 3.466 4.113 -0.829) 5.443 1.705 ( 2.262 2.132 -1.345) 3.387 1.746 ( -0.739 4.147 0.290) 4.223 1.766 ( -1.618 2.721 -0.928) 3.299 1.847 ( 0.368 1.166 0.732) 1.426 1.860 ( -0.746 0.018 0.791) 1.088 1.885 ( 1.715 -2.274 0.106) 2.850 1.914 ( -1.271 -3.588 -0.703) 3.871 2.018 ( 0.200 1.567 0.038) 1.580 2.027 ( -0.477 0.564 -0.454) 0.867 2.056 ( -0.800 -2.175 1.007) 2.527 2.070 ( -1.790 -3.631 0.579) 4.089 2.332 ( 8.525 4.022 0.424) 9.436 2.349 ( 4.119 2.488 -0.370) 4.827 2.367 ( 4.296 1.540 0.288) 4.572 2.373 ( 3.109 0.873 0.056) 3.230 2.422 ( 11.724 -4.467 0.903) 12.578 2.445 ( 11.245 -4.281 0.114) 12.032 2.796 ( -12.162 0.839 0.058) 12.191 2.813 ( -16.181 -1.125 -0.479) 16.227 2.861 ( -5.257 1.961 0.728) 5.658 2.878 ( -2.869 2.095 1.358) 3.803 2.886 ( -2.619 -0.262 -0.235) 2.642 2.904 ( -1.650 -0.184 0.179) 1.670 3.125 ( 4.001 5.787 -0.225) 7.039 3.169 ( 3.773 1.509 -2.025) 4.540 3.200 ( -3.686 5.301 0.754) 6.500 3.238 ( -3.329 1.630 -0.817) 3.796 3.943 ( 3.087 -0.107 0.488) 3.127 3.950 ( 3.048 -0.798 0.141) 3.154 4.009 ( -3.390 0.723 0.405) 3.490 4.016 ( -3.476 0.058 0.088) 3.478 4.251 ( 0.489 4.368 0.964) 4.500 4.257 ( -0.087 4.005 0.930) 4.112 4.287 ( 1.875 1.692 -0.652) 2.609 4.294 ( 1.434 1.211 -0.080) 1.878 4.313 ( -0.180 -0.397 0.649) 0.782 4.332 ( -1.815 0.590 0.034) 1.908 4.347 ( 0.700 -1.991 -0.565) 2.185 4.372 ( -1.485 -1.577 -1.207) 2.480 4.512 ( 0.966 0.765 0.118) 1.238 4.524 ( 0.069 0.405 -0.623) 0.747 4.536 ( 0.431 -1.465 -0.137) 1.533 4.551 ( -0.621 -1.725 -0.668) 1.951 4.860 ( -0.525 2.054 -0.248) 2.135 4.865 ( -1.029 1.718 -0.095) 2.005 4.889 ( -0.464 -0.595 -1.117) 1.348 4.892 ( -0.797 -0.927 -1.009) 1.585 5.014 ( 0.978 1.773 1.079) 2.294 5.029 ( -0.065 1.364 0.317) 1.402 5.060 ( 0.103 -1.644 0.984) 1.918 5.077 ( -1.035 -2.200 0.096) 2.433 5.188 ( 1.532 0.492 0.051) 1.610 5.200 ( 1.175 -0.475 -0.593) 1.400 5.205 ( 0.048 0.157 0.221) 0.275 5.217 ( -0.280 -0.945 -0.051) 0.987 5.328 ( 5.051 -0.059 0.370) 5.065 5.337 ( 4.508 -0.971 0.024) 4.612 5.401 ( -1.660 -0.137 0.431) 1.721 5.404 ( -1.494 -0.385 0.368) 1.586 5.648 ( 0.508 1.306 0.183) 1.413 5.657 ( -0.258 1.407 -0.042) 1.431 5.673 ( 0.492 -0.943 -0.138) 1.072 5.686 ( -0.725 -1.287 -0.547) 1.576 ======================= Grid point 130 (43/63) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.485 ( 0.000 0.000 -8.850) 8.850 0.485 ( 0.000 0.000 8.850) 8.850 0.667 ( 0.000 0.000 -10.271) 10.271 0.667 ( 0.000 0.000 10.271) 10.271 0.845 ( 0.000 0.000 -1.222) 1.222 0.845 ( 0.000 0.000 1.222) 1.222 0.986 ( 0.000 0.000 -4.759) 4.759 0.986 ( 0.000 0.000 4.759) 4.759 1.119 ( 0.000 0.000 -18.620) 18.620 1.119 ( 0.000 0.000 18.620) 18.620 1.187 ( 0.000 0.000 -5.247) 5.247 1.187 ( 0.000 0.000 5.247) 5.247 1.264 ( 0.000 0.000 -4.504) 4.504 1.264 ( 0.000 0.000 4.504) 4.504 1.456 ( 0.000 0.000 -5.174) 5.174 1.456 ( 0.000 0.000 5.174) 5.174 1.605 ( 0.000 0.000 -2.878) 2.878 1.605 ( 0.000 0.000 2.878) 2.878 1.995 ( 0.000 0.000 -9.253) 9.253 1.995 ( 0.000 0.000 9.253) 9.253 2.018 ( 0.000 0.000 -0.591) 0.591 2.018 ( 0.000 0.000 0.591) 0.591 2.040 ( 0.000 0.000 -0.622) 0.622 2.040 ( 0.000 0.000 0.622) 0.622 2.426 ( 0.000 0.000 -2.734) 2.734 2.426 ( 0.000 0.000 2.734) 2.734 2.463 ( 0.000 0.000 -2.541) 2.541 2.463 ( 0.000 0.000 2.541) 2.541 2.559 ( 0.000 0.000 -4.579) 4.579 2.559 ( 0.000 0.000 4.579) 4.579 2.713 ( 0.000 0.000 -1.088) 1.088 2.713 ( 0.000 0.000 1.088) 1.088 2.844 ( 0.000 0.000 -2.348) 2.348 2.844 ( 0.000 0.000 2.348) 2.348 3.579 ( 0.000 0.000 -3.300) 3.300 3.579 ( 0.000 0.000 3.300) 3.300 3.676 ( 0.000 0.000 -1.986) 1.986 3.676 ( 0.000 0.000 1.986) 1.986 3.792 ( 0.000 0.000 -0.406) 0.406 3.792 ( 0.000 0.000 0.406) 0.406 3.906 ( 0.000 0.000 -0.916) 0.916 3.906 ( 0.000 0.000 0.916) 0.916 3.982 ( 0.000 0.000 -1.913) 1.913 3.982 ( 0.000 0.000 1.913) 1.913 4.027 ( 0.000 0.000 -1.864) 1.864 4.027 ( 0.000 0.000 1.864) 1.864 4.224 ( 0.000 0.000 -1.623) 1.623 4.224 ( 0.000 0.000 1.623) 1.623 4.506 ( 0.000 0.000 -0.678) 0.678 4.506 ( 0.000 0.000 0.678) 0.678 4.677 ( 0.000 0.000 -2.334) 2.334 4.677 ( 0.000 0.000 2.334) 2.334 4.733 ( 0.000 0.000 -1.754) 1.754 4.733 ( 0.000 0.000 1.754) 1.754 4.873 ( 0.000 0.000 -0.731) 0.731 4.873 ( 0.000 0.000 0.731) 0.731 4.947 ( 0.000 0.000 -0.160) 0.160 4.947 ( 0.000 0.000 0.160) 0.160 5.032 ( 0.000 0.000 -1.992) 1.992 5.032 ( 0.000 0.000 1.992) 1.992 5.169 ( 0.000 0.000 -6.167) 6.167 5.169 ( 0.000 0.000 6.167) 6.167 5.279 ( 0.000 0.000 -1.856) 1.856 5.279 ( 0.000 0.000 1.856) 1.856 5.355 ( 0.000 0.000 -2.104) 2.104 5.355 ( 0.000 0.000 2.104) 2.104 5.496 ( 0.000 0.000 -0.736) 0.736 5.496 ( 0.000 0.000 0.736) 0.736 5.711 ( 0.000 0.000 -2.505) 2.505 5.711 ( 0.000 0.000 2.505) 2.505 6.049 ( 0.000 0.000 -0.841) 0.841 6.049 ( 0.000 0.000 0.841) 0.841 ======================= Grid point 132 (44/63) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.619 ( 4.585 0.000 -10.357) 11.327 0.619 ( 4.585 0.000 10.357) 11.327 0.703 ( 3.204 0.000 -7.800) 8.432 0.703 ( 3.204 0.000 7.800) 8.432 0.842 ( -0.347 0.000 -1.435) 1.476 0.842 ( -0.347 0.000 1.435) 1.476 0.929 ( -6.365 0.000 -4.931) 8.052 0.929 ( -6.365 0.000 4.931) 8.052 1.150 ( 7.062 0.000 -7.294) 10.152 1.150 ( 7.062 0.000 7.294) 10.152 1.293 ( 2.988 0.000 -4.810) 5.662 1.293 ( 2.988 0.000 4.810) 5.662 1.342 ( 14.387 0.000 -9.018) 16.980 1.342 ( 14.387 0.000 9.018) 16.980 1.536 ( 6.554 0.000 -4.209) 7.789 1.536 ( 6.554 0.000 4.209) 7.789 1.574 ( -3.157 0.000 -3.272) 4.546 1.574 ( -3.157 0.000 3.272) 4.546 1.967 ( -1.392 0.000 -6.118) 6.274 1.967 ( -1.392 0.000 6.118) 6.274 2.018 ( -0.047 0.000 -0.467) 0.470 2.018 ( -0.047 0.000 0.467) 0.470 2.036 ( -0.411 0.000 -0.557) 0.692 2.036 ( -0.411 0.000 0.557) 0.692 2.364 ( -5.598 0.000 -1.930) 5.921 2.364 ( -5.598 0.000 1.930) 5.921 2.498 ( 0.857 0.000 -3.004) 3.124 2.498 ( 0.857 0.000 3.004) 3.124 2.538 ( -0.398 0.000 -1.879) 1.921 2.538 ( -0.398 0.000 1.879) 1.921 2.720 ( 1.972 0.000 -0.256) 1.989 2.720 ( 1.972 0.000 0.256) 1.989 2.801 ( -2.917 0.000 -0.582) 2.974 2.801 ( -2.917 0.000 0.582) 2.974 3.430 ( -14.290 0.000 -3.470) 14.705 3.430 ( -14.290 0.000 3.470) 14.705 3.674 ( -0.120 0.000 -1.620) 1.625 3.674 ( -0.120 0.000 1.620) 1.625 3.790 ( -0.198 0.000 -0.533) 0.569 3.790 ( -0.198 0.000 0.533) 0.569 3.915 ( 0.824 0.000 -0.899) 1.219 3.915 ( 0.824 0.000 0.899) 1.219 3.976 ( -0.648 0.000 -1.796) 1.909 3.976 ( -0.648 0.000 1.796) 1.909 4.158 ( 8.558 0.000 -2.768) 8.995 4.158 ( 8.558 0.000 2.768) 8.995 4.264 ( 4.465 0.000 -2.492) 5.113 4.264 ( 4.465 0.000 2.492) 5.113 4.492 ( -0.825 0.000 -0.287) 0.874 4.492 ( -0.825 0.000 0.287) 0.874 4.682 ( 0.442 0.000 -2.317) 2.358 4.682 ( 0.442 0.000 2.317) 2.358 4.727 ( -0.570 0.000 -1.848) 1.934 4.727 ( -0.570 0.000 1.848) 1.934 4.821 ( -6.342 0.000 -2.032) 6.659 4.821 ( -6.342 0.000 2.032) 6.659 4.895 ( -2.757 0.000 -1.173) 2.997 4.895 ( -2.757 0.000 1.173) 2.997 4.985 ( -0.660 0.000 -1.934) 2.044 4.985 ( -0.660 0.000 1.934) 2.044 5.229 ( 0.764 0.000 -3.167) 3.258 5.229 ( 0.764 0.000 3.167) 3.258 5.305 ( 1.432 0.000 -2.821) 3.164 5.305 ( 1.432 0.000 2.821) 3.164 5.418 ( 6.586 0.000 -2.443) 7.025 5.418 ( 6.586 0.000 2.443) 7.025 5.544 ( 4.439 0.000 -0.665) 4.488 5.544 ( 4.439 0.000 0.665) 4.488 5.729 ( 1.839 0.000 -2.989) 3.510 5.729 ( 1.839 0.000 2.989) 3.510 5.990 ( -5.299 0.000 -2.035) 5.677 5.990 ( -5.299 0.000 2.035) 5.677 ======================= Grid point 134 (45/63) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.607 ( -2.496 0.000 -6.812) 7.255 0.607 ( -2.496 0.000 6.812) 7.255 0.765 ( 2.524 0.000 -3.360) 4.202 0.765 ( 2.524 0.000 3.360) 4.202 0.829 ( -0.956 0.000 -1.475) 1.758 0.829 ( -0.956 0.000 1.475) 1.758 0.831 ( -2.741 0.000 -3.377) 4.349 0.831 ( -2.741 0.000 3.377) 4.349 1.285 ( 4.982 0.000 -2.134) 5.419 1.285 ( 4.982 0.000 2.134) 5.419 1.377 ( 5.457 0.000 -4.960) 7.375 1.377 ( 5.457 0.000 4.960) 7.375 1.488 ( -5.490 0.000 -4.203) 6.914 1.488 ( -5.490 0.000 4.203) 6.914 1.515 ( 1.030 0.000 -3.281) 3.439 1.515 ( 1.030 0.000 3.281) 3.439 1.743 ( 10.742 0.000 -2.354) 10.997 1.743 ( 10.742 0.000 2.354) 10.997 1.995 ( 3.787 0.000 -0.960) 3.907 1.995 ( 3.787 0.000 0.960) 3.907 2.017 ( -0.015 0.000 -0.191) 0.191 2.017 ( -0.015 0.000 0.191) 0.191 2.028 ( -0.249 0.000 -0.270) 0.368 2.028 ( -0.249 0.000 0.270) 0.368 2.286 ( 0.335 0.000 -1.991) 2.019 2.286 ( 0.335 0.000 1.991) 2.019 2.410 ( -7.253 0.000 -3.182) 7.920 2.410 ( -7.253 0.000 3.182) 7.920 2.597 ( 3.105 0.000 -1.160) 3.315 2.597 ( 3.105 0.000 1.160) 3.315 2.746 ( -2.068 0.000 -0.741) 2.197 2.746 ( -2.068 0.000 0.741) 2.197 2.821 ( 8.348 0.000 -1.391) 8.463 2.821 ( 8.348 0.000 1.391) 8.463 3.100 ( -17.274 0.000 -3.248) 17.576 3.100 ( -17.274 0.000 3.248) 17.576 3.672 ( -0.074 0.000 -0.627) 0.632 3.672 ( -0.074 0.000 0.627) 0.632 3.786 ( -0.114 0.000 -0.277) 0.300 3.786 ( -0.114 0.000 0.277) 0.300 3.935 ( 1.210 0.000 -1.082) 1.624 3.935 ( 1.210 0.000 1.082) 1.624 3.958 ( -1.109 0.000 -1.475) 1.845 3.958 ( -1.109 0.000 1.475) 1.845 4.259 ( 3.094 0.000 -2.205) 3.799 4.259 ( 3.094 0.000 2.205) 3.799 4.332 ( -0.023 0.000 -2.968) 2.968 4.332 ( -0.023 0.000 2.968) 2.968 4.533 ( 5.633 0.000 -1.418) 5.808 4.533 ( 5.633 0.000 1.418) 5.808 4.685 ( -6.748 0.000 -1.406) 6.892 4.685 ( -6.748 0.000 1.406) 6.892 4.693 ( 0.666 0.000 -1.974) 2.083 4.693 ( 0.666 0.000 1.974) 2.083 4.713 ( -0.745 0.000 -1.795) 1.944 4.713 ( -0.745 0.000 1.795) 1.944 4.866 ( -0.718 0.000 -0.115) 0.727 4.866 ( -0.718 0.000 0.115) 0.727 4.981 ( -0.032 0.000 -0.658) 0.659 4.981 ( -0.032 0.000 0.658) 0.659 5.228 ( -0.191 0.000 -0.822) 0.844 5.228 ( -0.191 0.000 0.822) 0.844 5.314 ( 0.065 0.000 -0.809) 0.812 5.314 ( 0.065 0.000 0.809) 0.812 5.524 ( 3.100 0.000 -1.137) 3.302 5.524 ( 3.100 0.000 1.137) 3.302 5.629 ( 3.061 0.000 -0.730) 3.147 5.629 ( 3.061 0.000 0.730) 3.147 5.780 ( 3.499 0.000 -3.282) 4.797 5.780 ( 3.499 0.000 3.282) 4.797 5.877 ( -5.702 0.000 -2.913) 6.403 5.877 ( -5.702 0.000 2.913) 6.403 ======================= Grid point 140 (46/63) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.572 ( 0.000 7.883 -6.529) 10.236 0.572 ( 0.000 7.883 6.529) 10.236 0.630 ( 0.000 -3.451 -17.641) 17.976 0.630 ( 0.000 -3.451 17.641) 17.976 0.923 ( 0.000 10.575 -0.773) 10.603 0.923 ( 0.000 10.575 0.773) 10.603 1.036 ( 0.000 1.548 -1.464) 2.131 1.036 ( 0.000 1.548 1.464) 2.131 1.099 ( 0.000 0.225 -0.608) 0.648 1.099 ( 0.000 0.225 0.608) 0.648 1.292 ( 0.000 6.144 -5.817) 8.461 1.292 ( 0.000 6.144 5.817) 8.461 1.334 ( 0.000 3.732 -5.527) 6.669 1.334 ( 0.000 3.732 5.527) 6.669 1.479 ( 0.000 10.878 -2.903) 11.259 1.479 ( 0.000 10.878 2.903) 11.259 1.733 ( 0.000 4.410 -0.698) 4.465 1.733 ( 0.000 4.410 0.698) 4.465 1.894 ( 0.000 0.518 -4.022) 4.056 1.894 ( 0.000 0.518 4.022) 4.056 2.048 ( 0.000 2.511 -0.348) 2.535 2.048 ( 0.000 2.511 0.348) 2.535 2.194 ( 0.000 9.229 -2.274) 9.505 2.194 ( 0.000 9.229 2.274) 9.505 2.421 ( 0.000 -0.416 -2.455) 2.490 2.421 ( 0.000 -0.416 2.455) 2.490 2.468 ( 0.000 0.450 -1.868) 1.921 2.468 ( 0.000 0.450 1.868) 1.921 2.542 ( 0.000 -2.303 -2.364) 3.300 2.542 ( 0.000 -2.303 2.364) 3.300 2.614 ( 0.000 -6.767 -1.214) 6.875 2.614 ( 0.000 -6.767 1.214) 6.875 2.761 ( 0.000 -3.890 -2.479) 4.613 2.761 ( 0.000 -3.890 2.479) 4.613 3.551 ( 0.000 -1.986 -3.106) 3.687 3.551 ( 0.000 -1.986 3.106) 3.687 3.818 ( 0.000 7.145 -1.906) 7.395 3.818 ( 0.000 7.145 1.906) 7.395 3.898 ( 0.000 3.277 -0.544) 3.322 3.898 ( 0.000 3.277 0.544) 3.322 3.962 ( 0.000 4.263 -0.167) 4.266 3.962 ( 0.000 4.263 0.167) 4.266 4.025 ( 0.000 10.825 -4.776) 11.832 4.025 ( 0.000 10.825 4.776) 11.832 4.087 ( 0.000 5.608 -0.582) 5.638 4.087 ( 0.000 5.608 0.582) 5.638 4.224 ( 0.000 0.165 -1.523) 1.532 4.224 ( 0.000 0.165 1.523) 1.532 4.502 ( 0.000 -0.369 -0.755) 0.840 4.502 ( 0.000 -0.369 0.755) 0.840 4.705 ( 0.000 1.843 -1.980) 2.705 4.705 ( 0.000 1.843 1.980) 2.705 4.728 ( 0.000 0.167 -2.378) 2.384 4.728 ( 0.000 0.167 2.378) 2.384 4.877 ( 0.000 0.217 -0.097) 0.237 4.877 ( 0.000 0.217 0.097) 0.237 4.935 ( 0.000 -1.311 -0.230) 1.331 4.935 ( 0.000 -1.311 0.230) 1.331 5.029 ( 0.000 -0.470 -1.460) 1.534 5.029 ( 0.000 -0.470 1.460) 1.534 5.142 ( 0.000 -2.474 -5.267) 5.819 5.142 ( 0.000 -2.474 5.267) 5.819 5.282 ( 0.000 0.328 -1.672) 1.704 5.282 ( 0.000 0.328 1.672) 1.704 5.341 ( 0.000 -1.103 -1.852) 2.155 5.341 ( 0.000 -1.103 1.852) 2.155 5.487 ( 0.000 -0.878 -0.599) 1.063 5.487 ( 0.000 -0.878 0.599) 1.063 5.691 ( 0.000 -1.927 -2.263) 2.973 5.691 ( 0.000 -1.927 2.263) 2.973 5.979 ( 0.000 -6.158 -2.246) 6.555 5.979 ( 0.000 -6.158 2.246) 6.555 ======================= Grid point 142 (47/63) ======================= q-point: ( 0.20 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.619 ( -0.271 -1.073 -9.176) 9.243 0.619 ( -0.271 -1.073 9.176) 9.243 0.712 ( 5.391 3.448 -3.819) 7.452 0.712 ( 5.391 3.448 3.819) 7.452 0.917 ( -0.114 10.044 -1.559) 10.165 0.917 ( -0.114 10.044 1.559) 10.165 1.034 ( 0.788 1.519 -1.658) 2.382 1.034 ( 0.788 1.519 1.658) 2.382 1.145 ( 3.175 5.883 -1.752) 6.911 1.145 ( 3.175 5.883 1.752) 6.911 1.333 ( 4.413 2.104 -2.329) 5.415 1.333 ( 4.413 2.104 2.329) 5.415 1.419 ( 6.990 -0.213 -2.882) 7.564 1.419 ( 6.990 -0.213 2.882) 7.564 1.515 ( 6.516 12.125 -9.686) 16.831 1.515 ( 6.516 12.125 9.686) 16.831 1.713 ( -2.346 3.411 -1.086) 4.280 1.713 ( -2.346 3.411 1.086) 4.280 1.886 ( 0.018 1.140 -2.522) 2.768 1.886 ( 0.018 1.140 2.522) 2.768 2.051 ( 0.726 3.084 -1.100) 3.354 2.051 ( 0.726 3.084 1.100) 3.354 2.182 ( -0.826 9.237 -1.808) 9.448 2.182 ( -0.826 9.237 1.808) 9.448 2.371 ( -4.460 0.942 -1.926) 4.948 2.371 ( -4.460 0.942 1.926) 4.948 2.480 ( -1.847 -2.156 -3.574) 4.565 2.480 ( -1.847 -2.156 3.574) 4.565 2.527 ( 2.198 -0.339 -0.247) 2.238 2.527 ( 2.198 -0.339 0.247) 2.238 2.668 ( 4.140 -4.534 -2.380) 6.585 2.668 ( 4.140 -4.534 2.380) 6.585 2.749 ( -1.185 -2.976 -2.165) 3.867 2.749 ( -1.185 -2.976 2.165) 3.867 3.403 ( -14.192 -2.052 -3.039) 14.659 3.403 ( -14.192 -2.052 3.039) 14.659 3.795 ( -1.861 7.953 -1.139) 8.247 3.795 ( -1.861 7.953 1.139) 8.247 3.879 ( -1.052 6.166 -0.521) 6.277 3.879 ( -1.052 6.166 0.521) 6.277 3.966 ( 0.217 3.901 -0.127) 3.909 3.966 ( 0.217 3.901 0.127) 3.909 3.990 ( -1.072 3.960 -1.383) 4.329 3.990 ( -1.072 3.960 1.383) 4.329 4.195 ( 5.532 3.318 -3.352) 7.270 4.195 ( 5.532 3.318 3.352) 7.270 4.274 ( 5.042 1.350 -2.908) 5.975 4.274 ( 5.042 1.350 2.908) 5.975 4.490 ( -0.777 -0.227 -0.569) 0.989 4.490 ( -0.777 -0.227 0.569) 0.989 4.700 ( -1.627 -1.645 -2.300) 3.262 4.700 ( -1.627 -1.645 2.300) 3.262 4.718 ( -0.049 2.548 -1.959) 3.215 4.718 ( -0.049 2.548 1.959) 3.215 4.841 ( -3.731 1.450 -1.445) 4.255 4.841 ( -3.731 1.450 1.445) 4.255 4.899 ( -2.961 0.539 -1.095) 3.203 4.899 ( -2.961 0.539 1.095) 3.203 4.970 ( -0.906 -1.479 -1.601) 2.360 4.970 ( -0.906 -1.479 1.601) 2.360 5.211 ( 1.334 -1.765 -2.496) 3.336 5.211 ( 1.334 -1.765 2.496) 3.336 5.310 ( 1.487 0.632 -2.160) 2.697 5.310 ( 1.487 0.632 2.160) 2.697 5.392 ( 6.153 -2.400 -1.892) 6.870 5.392 ( 6.153 -2.400 1.892) 6.870 5.528 ( 3.786 -1.479 -0.470) 4.092 5.528 ( 3.786 -1.479 0.470) 4.092 5.707 ( 1.560 -2.213 -2.651) 3.789 5.707 ( 1.560 -2.213 2.651) 3.789 5.933 ( -4.229 -5.123 -2.668) 7.159 5.933 ( -4.229 -5.123 2.668) 7.159 ======================= Grid point 144 (48/63) ======================= q-point: ( 0.40 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.582 ( -2.166 0.775 -2.767) 3.598 0.582 ( -2.166 0.775 2.767) 3.598 0.756 ( 0.484 2.302 -0.799) 2.484 0.756 ( 0.484 2.302 0.799) 2.484 0.942 ( 2.739 9.815 -1.326) 10.276 0.942 ( 2.739 9.815 1.326) 10.276 1.005 ( -3.113 9.368 -1.763) 10.028 1.005 ( -3.113 9.368 1.763) 10.028 1.218 ( 2.725 0.493 -1.672) 3.235 1.218 ( 2.725 0.493 1.672) 3.235 1.379 ( 0.902 -1.564 -1.257) 2.200 1.379 ( 0.902 -1.564 1.257) 2.200 1.521 ( 4.569 2.547 -0.754) 5.285 1.521 ( 4.569 2.547 0.754) 5.285 1.626 ( -4.821 4.825 -0.745) 6.861 1.626 ( -4.821 4.825 0.745) 6.861 1.763 ( 9.504 6.107 -5.370) 12.508 1.763 ( 9.504 6.107 5.370) 12.508 1.906 ( 1.039 -0.321 -1.239) 1.648 1.906 ( 1.039 -0.321 1.239) 1.648 2.114 ( 6.413 6.447 -3.015) 9.580 2.114 ( 6.413 6.447 3.015) 9.580 2.172 ( -0.003 8.711 -1.918) 8.919 2.172 ( -0.003 8.711 1.918) 8.919 2.301 ( -1.264 1.864 -1.569) 2.744 2.301 ( -1.264 1.864 1.569) 2.744 2.392 ( -6.787 -1.628 -2.915) 7.564 2.392 ( -6.787 -1.628 2.915) 7.564 2.589 ( 2.643 -0.548 -1.210) 2.958 2.589 ( 2.643 -0.548 1.210) 2.958 2.710 ( -1.338 -3.297 -1.214) 3.760 2.710 ( -1.338 -3.297 1.214) 3.760 2.795 ( 8.871 -1.919 -2.201) 9.339 2.795 ( 8.871 -1.919 2.201) 9.339 3.073 ( -17.506 -2.247 -2.888) 17.884 3.073 ( -17.506 -2.247 2.888) 17.884 3.767 ( -0.773 7.925 -0.258) 7.967 3.767 ( -0.773 7.925 0.258) 7.967 3.867 ( -0.296 6.543 -0.177) 6.552 3.867 ( -0.296 6.543 0.177) 6.552 3.970 ( 0.171 2.990 -0.325) 3.012 3.970 ( 0.171 2.990 0.325) 3.012 3.979 ( -0.276 2.725 -0.613) 2.807 3.979 ( -0.276 2.725 0.613) 2.807 4.272 ( 2.987 1.368 -2.076) 3.887 4.272 ( 2.987 1.368 2.076) 3.887 4.336 ( -0.185 0.574 -2.841) 2.905 4.336 ( -0.185 0.574 2.841) 2.905 4.517 ( 3.909 -1.391 -1.584) 4.441 4.517 ( 3.909 -1.391 1.584) 4.441 4.636 ( -4.168 -2.922 -2.019) 5.476 4.636 ( -4.168 -2.922 2.019) 5.476 4.732 ( 1.202 3.378 -1.629) 3.939 4.732 ( 1.202 3.378 1.629) 3.939 4.773 ( -2.560 3.927 -0.952) 4.783 4.773 ( -2.560 3.927 0.952) 4.783 4.864 ( -0.868 -0.047 -0.171) 0.886 4.864 ( -0.868 -0.047 0.171) 0.886 4.966 ( 0.050 -1.426 -0.476) 1.504 4.966 ( 0.050 -1.426 0.476) 1.504 5.215 ( -0.135 -1.258 -0.661) 1.427 5.215 ( -0.135 -1.258 0.661) 1.427 5.320 ( 0.056 0.603 -0.584) 0.842 5.320 ( 0.056 0.603 0.584) 0.842 5.503 ( 3.485 -2.132 -1.210) 4.261 5.503 ( 3.485 -2.132 1.210) 4.261 5.598 ( 2.467 -2.913 -0.554) 3.857 5.598 ( 2.467 -2.913 0.554) 3.857 5.748 ( 2.529 -3.235 -2.691) 4.909 5.748 ( 2.529 -3.235 2.691) 4.909 5.843 ( -4.293 -2.991 -2.552) 5.821 5.843 ( -4.293 -2.991 2.552) 5.821 ======================= Grid point 150 (49/63) ======================= q-point: ( 0.00 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.682 ( 0.000 10.487 -7.488) 12.886 0.682 ( 0.000 10.487 7.488) 12.886 0.762 ( 0.000 10.162 -3.562) 10.768 0.762 ( 0.000 10.162 3.562) 10.768 1.013 ( 0.000 -1.067 -1.114) 1.542 1.013 ( 0.000 -1.067 1.114) 1.542 1.104 ( 0.000 6.456 -1.131) 6.554 1.104 ( 0.000 6.456 1.131) 6.554 1.179 ( 0.000 3.542 -1.768) 3.959 1.179 ( 0.000 3.542 1.768) 3.959 1.342 ( 0.000 9.238 -0.152) 9.239 1.342 ( 0.000 9.238 0.152) 9.239 1.561 ( 0.000 7.454 -0.594) 7.477 1.561 ( 0.000 7.454 0.594) 7.477 1.624 ( 0.000 3.476 -0.795) 3.566 1.624 ( 0.000 3.476 0.795) 3.566 1.783 ( 0.000 6.057 -2.062) 6.398 1.783 ( 0.000 6.057 2.062) 6.398 2.047 ( 0.000 10.799 -0.817) 10.830 2.047 ( 0.000 10.799 0.817) 10.830 2.138 ( 0.000 7.640 -0.904) 7.693 2.138 ( 0.000 7.640 0.904) 7.693 2.352 ( 0.000 5.541 -2.315) 6.005 2.352 ( 0.000 5.541 2.315) 6.005 2.413 ( 0.000 -0.442 -1.707) 1.763 2.413 ( 0.000 -0.442 1.707) 1.763 2.469 ( 0.000 -0.776 -0.032) 0.777 2.469 ( 0.000 -0.776 0.032) 0.777 2.495 ( 0.000 0.707 -1.113) 1.319 2.495 ( 0.000 0.707 1.113) 1.319 2.560 ( 0.000 -0.061 -3.756) 3.757 2.560 ( 0.000 -0.061 3.756) 3.757 2.712 ( 0.000 -1.064 -2.872) 3.063 2.712 ( 0.000 -1.064 2.872) 3.063 3.504 ( 0.000 -2.789 -1.903) 3.377 3.504 ( 0.000 -2.789 1.903) 3.377 3.883 ( 0.000 -0.112 -1.283) 1.288 3.883 ( 0.000 -0.112 1.283) 1.288 3.980 ( 0.000 7.650 -2.397) 8.017 3.980 ( 0.000 7.650 2.397) 8.017 4.079 ( 0.000 5.605 -0.997) 5.693 4.079 ( 0.000 5.605 0.997) 5.693 4.140 ( 0.000 3.330 -0.128) 3.333 4.140 ( 0.000 3.330 0.128) 3.333 4.235 ( 0.000 3.119 -0.206) 3.125 4.235 ( 0.000 3.119 0.206) 3.125 4.270 ( 0.000 5.954 -4.164) 7.266 4.270 ( 0.000 5.954 4.164) 7.266 4.488 ( 0.000 -1.274 -1.504) 1.971 4.488 ( 0.000 -1.274 1.504) 1.971 4.675 ( 0.000 -3.998 -4.995) 6.398 4.675 ( 0.000 -3.998 4.995) 6.398 4.774 ( 0.000 2.523 -0.840) 2.659 4.774 ( 0.000 2.523 0.840) 2.659 4.871 ( 0.000 -0.850 -0.559) 1.017 4.871 ( 0.000 -0.850 0.559) 1.017 4.924 ( 0.000 1.789 -0.313) 1.816 4.924 ( 0.000 1.789 0.313) 1.816 5.017 ( 0.000 -0.382 -0.015) 0.382 5.017 ( 0.000 -0.382 0.015) 0.382 5.092 ( 0.000 -2.474 -2.313) 3.387 5.092 ( 0.000 -2.474 2.313) 3.387 5.278 ( 0.000 -1.035 -0.049) 1.036 5.278 ( 0.000 -1.035 0.049) 1.036 5.336 ( 0.000 0.834 -1.019) 1.317 5.336 ( 0.000 0.834 1.019) 1.317 5.466 ( 0.000 -1.222 -0.131) 1.229 5.466 ( 0.000 -1.222 0.131) 1.229 5.644 ( 0.000 -2.704 -1.458) 3.072 5.644 ( 0.000 -2.704 1.458) 3.072 5.856 ( 0.000 -5.808 -1.812) 6.084 5.856 ( 0.000 -5.808 1.812) 6.084 ======================= Grid point 152 (50/63) ======================= q-point: ( 0.20 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.697 ( 0.853 10.313 -4.953) 11.473 0.697 ( 0.853 10.313 4.953) 11.473 0.831 ( 3.084 7.329 -2.632) 8.376 0.831 ( 3.084 7.329 2.632) 8.376 1.019 ( 0.937 1.386 -0.922) 1.911 1.019 ( 0.937 1.386 0.922) 1.911 1.132 ( 2.768 6.155 -1.765) 6.976 1.132 ( 2.768 6.155 1.765) 6.976 1.231 ( 4.182 3.831 -3.810) 6.832 1.231 ( 4.182 3.831 3.810) 6.832 1.395 ( 3.904 6.891 -1.018) 7.985 1.395 ( 3.904 6.891 1.018) 7.985 1.546 ( -0.328 7.670 -3.844) 8.586 1.546 ( -0.328 7.670 3.844) 8.586 1.649 ( 2.871 0.276 -3.522) 4.552 1.649 ( 2.871 0.276 3.522) 4.552 1.790 ( 2.359 8.889 -3.827) 9.961 1.790 ( 2.359 8.889 3.827) 9.961 2.034 ( -0.957 10.275 -1.214) 10.391 2.034 ( -0.957 10.275 1.214) 10.391 2.151 ( 1.512 8.051 -0.571) 8.212 2.151 ( 1.512 8.051 0.571) 8.212 2.334 ( -1.303 4.499 -1.455) 4.904 2.334 ( -1.303 4.499 1.455) 4.904 2.400 ( -1.769 1.248 -2.113) 3.025 2.400 ( -1.769 1.248 2.113) 3.025 2.445 ( -1.479 1.045 -2.369) 2.982 2.445 ( -1.479 1.045 2.369) 2.982 2.537 ( 3.266 1.448 -1.036) 3.720 2.537 ( 3.266 1.448 1.036) 3.720 2.593 ( 2.898 -2.423 -3.883) 5.417 2.593 ( 2.898 -2.423 3.883) 5.417 2.712 ( 0.186 -0.766 -2.516) 2.637 2.712 ( 0.186 -0.766 2.516) 2.637 3.358 ( -14.077 -2.544 -1.827) 14.422 3.358 ( -14.077 -2.544 1.827) 14.422 3.896 ( 1.086 1.220 -1.051) 1.942 3.896 ( 1.086 1.220 1.051) 1.942 3.967 ( -1.061 6.291 -2.437) 6.829 3.967 ( -1.061 6.291 2.437) 6.829 4.066 ( -0.960 5.382 -1.016) 5.560 4.066 ( -0.960 5.382 1.016) 5.560 4.100 ( -2.721 4.785 -1.221) 5.638 4.100 ( -2.721 4.785 1.221) 5.638 4.259 ( 2.521 3.293 -1.376) 4.369 4.259 ( 2.521 3.293 1.376) 4.369 4.324 ( 3.435 2.898 -3.402) 5.637 4.324 ( 3.435 2.898 3.402) 5.637 4.479 ( -0.700 -1.153 -1.420) 1.959 4.479 ( -0.700 -1.153 1.420) 1.959 4.641 ( -3.119 -4.080 -4.457) 6.800 4.641 ( -3.119 -4.080 4.457) 6.800 4.778 ( 0.490 2.562 -0.564) 2.669 4.778 ( 0.490 2.562 0.564) 2.669 4.868 ( -0.381 1.177 -0.330) 1.280 4.868 ( -0.381 1.177 0.330) 1.280 4.916 ( -1.909 1.402 -0.507) 2.422 4.916 ( -1.909 1.402 0.507) 2.422 4.948 ( -2.173 0.187 -0.818) 2.330 4.948 ( -2.173 0.187 0.818) 2.330 5.171 ( 2.833 -2.017 -0.940) 3.603 5.171 ( 2.833 -2.017 0.940) 3.603 5.312 ( 3.292 -1.665 -2.148) 4.269 5.312 ( 3.292 -1.665 2.148) 4.269 5.355 ( 2.476 0.016 -0.778) 2.596 5.355 ( 2.476 0.016 0.778) 2.596 5.493 ( 2.481 -2.020 -0.210) 3.206 5.493 ( 2.481 -2.020 0.210) 3.206 5.652 ( 0.808 -3.124 -1.530) 3.571 5.652 ( 0.808 -3.124 1.530) 3.571 5.830 ( -2.335 -4.818 -1.706) 5.619 5.830 ( -2.335 -4.818 1.706) 5.619 ======================= Grid point 154 (51/63) ======================= q-point: ( 0.40 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.697 ( -0.491 10.531 -0.984) 10.588 0.697 ( -0.491 10.531 0.984) 10.588 0.855 ( 0.341 7.129 -1.021) 7.209 0.855 ( 0.341 7.129 1.021) 7.209 1.052 ( 1.951 2.582 -0.688) 3.309 1.052 ( 1.951 2.582 0.688) 3.309 1.155 ( -0.474 6.373 -0.793) 6.440 1.155 ( -0.474 6.373 0.793) 6.440 1.314 ( 4.235 4.084 -4.772) 7.575 1.314 ( 4.235 4.084 4.772) 7.575 1.391 ( -3.098 4.039 -3.843) 6.378 1.391 ( -3.098 4.039 3.843) 6.378 1.580 ( 2.192 5.851 -0.165) 6.250 1.580 ( 2.192 5.851 0.165) 6.250 1.661 ( -1.645 0.825 -1.905) 2.649 1.661 ( -1.645 0.825 1.905) 2.649 1.952 ( 9.463 10.938 -4.819) 15.245 1.952 ( 9.463 10.938 4.819) 15.245 2.022 ( -0.444 9.502 -1.855) 9.691 2.022 ( -0.444 9.502 1.855) 9.691 2.214 ( 6.121 4.363 -1.845) 7.740 2.214 ( 6.121 4.363 1.845) 7.740 2.317 ( -0.673 3.687 -0.377) 3.766 2.317 ( -0.673 3.687 0.377) 3.766 2.360 ( -2.300 2.350 -1.842) 3.769 2.360 ( -2.300 2.350 1.842) 3.769 2.391 ( -3.999 5.617 -2.845) 7.459 2.391 ( -3.999 5.617 2.845) 7.459 2.589 ( 1.478 0.861 -0.657) 1.832 2.589 ( 1.478 0.861 0.657) 1.832 2.649 ( 1.558 -2.060 -1.743) 3.116 2.649 ( 1.558 -2.060 1.743) 3.116 2.761 ( 7.429 -1.545 -1.647) 7.765 2.761 ( 7.429 -1.545 1.647) 7.765 3.027 ( -17.878 -2.414 -1.779) 18.128 3.027 ( -17.878 -2.414 1.779) 18.128 3.909 ( 0.071 5.507 -0.405) 5.522 3.909 ( 0.071 5.507 0.405) 5.522 3.954 ( -0.131 2.673 -1.142) 2.910 3.954 ( -0.131 2.673 1.142) 2.910 4.052 ( -0.364 4.431 -0.891) 4.534 4.052 ( -0.364 4.431 0.891) 4.534 4.064 ( -0.990 5.388 -0.782) 5.534 4.064 ( -0.990 5.388 0.782) 5.534 4.313 ( 2.689 2.773 -1.386) 4.104 4.313 ( 2.689 2.773 1.386) 4.104 4.357 ( -0.492 1.416 -2.000) 2.500 4.357 ( -0.492 1.416 2.000) 2.500 4.484 ( 1.469 -1.988 -1.731) 3.018 4.484 ( 1.469 -1.988 1.731) 3.018 4.577 ( -2.914 -3.243 -2.725) 5.141 4.577 ( -2.914 -3.243 2.725) 5.141 4.797 ( 1.509 2.578 -0.457) 3.022 4.797 ( 1.509 2.578 0.457) 3.022 4.842 ( -2.437 2.349 -0.267) 3.395 4.842 ( -2.437 2.349 0.267) 3.395 4.878 ( -0.585 2.212 -0.231) 2.299 4.878 ( -0.585 2.212 0.231) 2.299 4.941 ( 0.093 -0.357 -0.155) 0.400 4.941 ( 0.093 -0.357 0.155) 0.400 5.190 ( 0.090 -1.039 -0.169) 1.056 5.190 ( 0.090 -1.039 0.169) 1.056 5.336 ( 0.106 0.728 -0.218) 0.767 5.336 ( 0.106 0.728 0.218) 0.767 5.448 ( 4.365 -3.118 -1.263) 5.511 5.448 ( 4.365 -3.118 1.263) 5.511 5.531 ( 0.715 -3.719 -0.460) 3.815 5.531 ( 0.715 -3.719 0.460) 3.815 5.669 ( 0.719 -4.211 -1.009) 4.389 5.669 ( 0.719 -4.211 1.009) 4.389 5.785 ( -1.703 -2.701 -0.907) 3.320 5.785 ( -1.703 -2.701 0.907) 3.320 ======================= Grid point 160 (52/63) ======================= q-point: ( 0.00 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.925 ( 0.000 6.956 -1.803) 7.186 0.925 ( 0.000 6.956 1.803) 7.186 0.947 ( 0.000 9.797 -0.353) 9.803 0.947 ( 0.000 9.797 0.353) 9.803 1.036 ( 0.000 7.269 -0.132) 7.270 1.036 ( 0.000 7.269 0.132) 7.270 1.206 ( 0.000 3.280 -0.956) 3.417 1.206 ( 0.000 3.280 0.956) 3.417 1.256 ( 0.000 6.251 -0.246) 6.256 1.256 ( 0.000 6.251 0.246) 6.256 1.517 ( 0.000 4.702 -1.642) 4.980 1.517 ( 0.000 4.702 1.642) 4.980 1.589 ( 0.000 1.696 -0.314) 1.725 1.589 ( 0.000 1.696 0.314) 1.725 1.727 ( 0.000 4.745 -2.643) 5.432 1.727 ( 0.000 4.745 2.643) 5.432 1.878 ( 0.000 3.120 -0.335) 3.138 1.878 ( 0.000 3.120 0.335) 3.138 2.207 ( 0.000 2.798 -0.870) 2.931 2.207 ( 0.000 2.798 0.870) 2.931 2.323 ( 0.000 3.525 -1.220) 3.731 2.323 ( 0.000 3.525 1.220) 3.731 2.370 ( 0.000 2.801 -1.927) 3.400 2.370 ( 0.000 2.801 1.927) 3.400 2.457 ( 0.000 5.730 -2.909) 6.426 2.457 ( 0.000 5.730 2.909) 6.426 2.485 ( 0.000 2.680 -0.446) 2.716 2.485 ( 0.000 2.680 0.446) 2.716 2.523 ( 0.000 3.593 -0.528) 3.632 2.523 ( 0.000 3.593 0.528) 3.632 2.640 ( 0.000 7.237 -0.483) 7.253 2.640 ( 0.000 7.237 0.483) 7.253 2.736 ( 0.000 4.040 -0.259) 4.048 2.736 ( 0.000 4.040 0.259) 4.048 3.448 ( 0.000 -2.854 -0.468) 2.892 3.448 ( 0.000 -2.854 0.468) 2.892 3.900 ( 0.000 2.110 -2.206) 3.053 3.900 ( 0.000 2.110 2.206) 3.053 4.112 ( 0.000 5.230 -2.816) 5.940 4.112 ( 0.000 5.230 2.816) 5.940 4.142 ( 0.000 0.706 -0.968) 1.198 4.142 ( 0.000 0.706 0.968) 1.198 4.193 ( 0.000 3.028 -0.236) 3.037 4.193 ( 0.000 3.028 0.236) 3.037 4.285 ( 0.000 -3.508 -0.260) 3.517 4.285 ( 0.000 -3.508 0.260) 3.517 4.321 ( 0.000 4.417 -1.015) 4.533 4.321 ( 0.000 4.417 1.015) 4.533 4.430 ( 0.000 -4.915 -1.679) 5.194 4.430 ( 0.000 -4.915 1.679) 5.194 4.607 ( 0.000 -1.239 -8.461) 8.551 4.607 ( 0.000 -1.239 8.461) 8.551 4.808 ( 0.000 1.481 -0.970) 1.770 4.808 ( 0.000 1.481 0.970) 1.770 4.883 ( 0.000 1.824 -0.615) 1.925 4.883 ( 0.000 1.824 0.615) 1.925 4.975 ( 0.000 1.027 -0.254) 1.058 4.975 ( 0.000 1.027 0.254) 1.058 5.025 ( 0.000 2.100 -1.292) 2.466 5.025 ( 0.000 2.100 1.292) 2.466 5.059 ( 0.000 -0.443 -0.677) 0.808 5.059 ( 0.000 -0.443 0.677) 0.808 5.256 ( 0.000 -0.865 -0.171) 0.881 5.256 ( 0.000 -0.865 0.171) 0.881 5.352 ( 0.000 0.330 -1.170) 1.216 5.352 ( 0.000 0.330 1.170) 1.216 5.437 ( 0.000 -1.955 -0.537) 2.027 5.437 ( 0.000 -1.955 0.537) 2.027 5.603 ( 0.000 -1.083 -0.562) 1.220 5.603 ( 0.000 -1.083 0.562) 1.220 5.767 ( 0.000 -3.401 -0.298) 3.414 5.767 ( 0.000 -3.401 0.298) 3.414 ======================= Grid point 162 (53/63) ======================= q-point: ( 0.20 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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 ( -0.793 7.663 -1.227) 7.801 0.927 ( -0.793 7.663 1.227) 7.801 0.966 ( 1.657 7.334 -1.670) 7.702 0.966 ( 1.657 7.334 1.670) 7.702 1.070 ( 2.783 6.437 -0.939) 7.075 1.070 ( 2.783 6.437 0.939) 7.075 1.215 ( 0.927 2.718 -0.056) 2.873 1.215 ( 0.927 2.718 0.056) 2.873 1.324 ( 4.660 6.517 -1.891) 8.232 1.324 ( 4.660 6.517 1.891) 8.232 1.540 ( -1.012 3.578 -2.523) 4.494 1.540 ( -1.012 3.578 2.523) 4.494 1.597 ( 4.509 2.848 -3.225) 6.232 1.597 ( 4.509 2.848 3.225) 6.232 1.724 ( 0.018 5.067 -1.011) 5.166 1.724 ( 0.018 5.067 1.011) 5.166 1.916 ( 5.145 4.187 -1.047) 6.716 1.916 ( 5.145 4.187 1.047) 6.716 2.191 ( -1.219 3.543 -1.311) 3.969 2.191 ( -1.219 3.543 1.311) 3.969 2.309 ( -1.665 0.857 -1.111) 2.178 2.309 ( -1.665 0.857 1.111) 2.178 2.391 ( 0.703 3.066 -1.418) 3.451 2.391 ( 0.703 3.066 1.418) 3.451 2.412 ( -0.713 6.670 -2.000) 7.000 2.412 ( -0.713 6.670 2.000) 7.000 2.523 ( 1.902 4.151 -0.710) 4.621 2.523 ( 1.902 4.151 0.710) 4.621 2.563 ( 3.195 3.183 -0.867) 4.592 2.563 ( 3.195 3.183 0.867) 4.592 2.637 ( -0.015 6.530 -0.512) 6.550 2.637 ( -0.015 6.530 0.512) 6.550 2.736 ( 0.015 3.834 -0.331) 3.848 2.736 ( 0.015 3.834 0.331) 3.848 3.307 ( -13.688 -2.624 -0.546) 13.948 3.307 ( -13.688 -2.624 0.546) 13.948 3.919 ( 1.868 1.885 -1.807) 3.211 3.919 ( 1.868 1.885 1.807) 3.211 4.075 ( -2.777 4.265 -2.990) 5.902 4.075 ( -2.777 4.265 2.990) 5.902 4.129 ( -1.637 0.362 -0.391) 1.721 4.129 ( -1.637 0.362 0.391) 1.721 4.169 ( -1.708 2.789 -0.739) 3.353 4.169 ( -1.708 2.789 0.739) 3.353 4.307 ( 1.997 -0.981 -0.346) 2.252 4.307 ( 1.997 -0.981 0.346) 2.252 4.353 ( 2.428 2.103 -0.292) 3.225 4.353 ( 2.428 2.103 0.292) 3.225 4.434 ( 0.449 -2.899 -1.355) 3.232 4.434 ( 0.449 -2.899 1.355) 3.232 4.583 ( -2.191 -0.780 -6.870) 7.253 4.583 ( -2.191 -0.780 6.870) 7.253 4.811 ( 0.312 1.281 -1.111) 1.724 4.811 ( 0.312 1.281 1.111) 1.724 4.887 ( -0.150 1.016 -1.288) 1.647 4.887 ( -0.150 1.016 1.288) 1.647 4.943 ( -1.976 0.893 -0.721) 2.285 4.943 ( -1.976 0.893 0.721) 2.285 4.995 ( -0.959 3.979 -0.864) 4.183 4.995 ( -0.959 3.979 0.864) 4.183 5.143 ( 4.445 -0.725 -0.992) 4.611 5.143 ( 4.445 -0.725 0.992) 4.611 5.269 ( 2.029 -1.958 -1.178) 3.056 5.269 ( 2.029 -1.958 1.178) 3.056 5.369 ( 1.202 0.401 -1.283) 1.803 5.369 ( 1.202 0.401 1.283) 1.803 5.451 ( 1.433 -2.281 -0.446) 2.730 5.451 ( 1.433 -2.281 0.446) 2.730 5.605 ( 0.203 -1.303 -0.523) 1.419 5.605 ( 0.203 -1.303 0.523) 1.419 5.757 ( -0.896 -2.830 -0.272) 2.980 5.757 ( -0.896 -2.830 0.272) 2.980 ======================= Grid point 164 (54/63) ======================= q-point: ( 0.40 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.907 ( -0.796 8.438 -0.447) 8.487 0.907 ( -0.796 8.438 0.447) 8.487 0.990 ( 0.639 5.702 -0.958) 5.817 0.990 ( 0.639 5.702 0.958) 5.817 1.119 ( 1.768 5.260 -0.276) 5.556 1.119 ( 1.768 5.260 0.276) 5.556 1.228 ( 0.264 1.933 -0.051) 1.951 1.228 ( 0.264 1.933 0.051) 1.951 1.384 ( 2.058 5.281 -2.636) 6.251 1.384 ( 2.058 5.281 2.636) 6.251 1.483 ( -3.068 3.609 -2.708) 5.456 1.483 ( -3.068 3.609 2.708) 5.456 1.692 ( 2.782 4.867 -2.080) 5.979 1.692 ( 2.782 4.867 2.080) 5.979 1.723 ( -0.544 4.715 -2.675) 5.448 1.723 ( -0.544 4.715 2.675) 5.448 2.107 ( 10.398 4.775 -0.757) 11.466 2.107 ( 10.398 4.775 0.757) 11.466 2.180 ( 1.169 4.881 -1.059) 5.129 2.180 ( 1.169 4.881 1.059) 5.129 2.275 ( -0.788 -0.193 -0.913) 1.222 2.275 ( -0.788 -0.193 0.913) 1.222 2.340 ( -4.459 1.356 -1.793) 4.994 2.340 ( -4.459 1.356 1.793) 4.994 2.466 ( 3.187 9.369 -1.245) 9.974 2.466 ( 3.187 9.369 1.245) 9.974 2.539 ( -0.499 8.366 -1.379) 8.494 2.539 ( -0.499 8.366 1.379) 8.494 2.626 ( 2.181 2.682 -0.690) 3.525 2.626 ( 2.181 2.682 0.690) 3.525 2.662 ( 3.441 3.468 -0.359) 4.899 2.662 ( 3.441 3.468 0.359) 4.899 2.750 ( 3.164 1.451 -0.506) 3.517 2.750 ( 3.164 1.451 0.506) 3.517 2.980 ( -17.890 -2.413 -0.640) 18.063 2.980 ( -17.890 -2.413 0.640) 18.063 3.963 ( 2.339 1.472 -0.648) 2.838 3.963 ( 2.339 1.472 0.648) 2.838 4.024 ( -2.291 4.095 -1.568) 4.947 4.024 ( -2.291 4.095 1.568) 4.947 4.096 ( -1.203 -0.050 -0.200) 1.220 4.096 ( -1.203 -0.050 0.200) 1.220 4.144 ( -0.731 2.080 -0.450) 2.250 4.144 ( -0.731 2.080 0.450) 2.250 4.345 ( 1.562 -0.611 -0.105) 1.681 4.345 ( 1.562 -0.611 0.105) 1.681 4.381 ( 0.113 1.112 -0.376) 1.180 4.381 ( 0.113 1.112 0.376) 1.180 4.459 ( 2.186 0.216 -1.437) 2.625 4.459 ( 2.186 0.216 1.437) 2.625 4.533 ( -2.680 -0.494 -3.785) 4.664 4.533 ( -2.680 -0.494 3.785) 4.664 4.824 ( 1.159 0.719 -1.018) 1.702 4.824 ( 1.159 0.719 1.018) 1.702 4.859 ( -2.102 0.209 -1.005) 2.340 4.859 ( -2.102 0.209 1.005) 2.340 4.935 ( 0.537 2.820 -0.430) 2.902 4.935 ( 0.537 2.820 0.430) 2.902 4.978 ( -0.743 3.558 -0.800) 3.722 4.978 ( -0.743 3.558 0.800) 3.722 5.183 ( 0.467 0.451 -0.283) 0.708 5.183 ( 0.467 0.451 0.283) 0.708 5.322 ( 1.593 -2.434 -0.853) 3.032 5.322 ( 1.593 -2.434 0.853) 3.032 5.408 ( 3.269 -0.941 -1.182) 3.601 5.408 ( 3.269 -0.941 1.182) 3.601 5.465 ( -0.787 -2.787 -0.751) 2.992 5.465 ( -0.787 -2.787 0.751) 2.992 5.609 ( 0.153 -1.670 -0.267) 1.698 5.609 ( 0.153 -1.670 0.267) 1.698 5.741 ( -0.517 -1.874 -0.145) 1.950 5.741 ( -0.517 -1.874 0.145) 1.950 ======================= Grid point 170 (55/63) ======================= q-point: ( 0.00 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.961 ( 0.000 -0.704 -0.424) 0.822 0.961 ( 0.000 -0.704 0.424) 0.822 1.038 ( 0.000 1.850 -0.866) 2.043 1.038 ( 0.000 1.850 0.866) 2.043 1.242 ( 0.000 2.327 -1.225) 2.630 1.242 ( 0.000 2.327 1.225) 2.630 1.279 ( 0.000 7.971 -1.991) 8.216 1.279 ( 0.000 7.971 1.991) 8.216 1.396 ( 0.000 7.775 -0.311) 7.781 1.396 ( 0.000 7.775 0.311) 7.781 1.523 ( 0.000 0.487 -4.435) 4.461 1.523 ( 0.000 0.487 4.435) 4.461 1.652 ( 0.000 2.295 -0.656) 2.387 1.652 ( 0.000 2.295 0.656) 2.387 1.812 ( 0.000 4.398 -1.609) 4.683 1.812 ( 0.000 4.398 1.609) 4.683 1.927 ( 0.000 2.354 -0.545) 2.416 1.927 ( 0.000 2.354 0.545) 2.416 2.139 ( 0.000 -6.924 -1.003) 6.996 2.139 ( 0.000 -6.924 1.003) 6.996 2.322 ( 0.000 -0.627 -0.327) 0.707 2.322 ( 0.000 -0.627 0.327) 0.707 2.387 ( 0.000 -1.239 -0.733) 1.440 2.387 ( 0.000 -1.239 0.733) 1.440 2.469 ( 0.000 -0.998 -0.009) 0.998 2.469 ( 0.000 -0.998 0.009) 0.998 2.654 ( 0.000 9.671 -1.813) 9.839 2.654 ( 0.000 9.671 1.813) 9.839 2.705 ( 0.000 9.993 -0.493) 10.005 2.705 ( 0.000 9.993 0.493) 10.005 2.761 ( 0.000 5.194 -1.229) 5.338 2.761 ( 0.000 5.194 1.229) 5.338 2.900 ( 0.000 12.251 -1.484) 12.341 2.900 ( 0.000 12.251 1.484) 12.341 3.400 ( 0.000 -1.892 -0.475) 1.951 3.400 ( 0.000 -1.892 0.475) 1.951 3.958 ( 0.000 3.319 -2.158) 3.959 3.958 ( 0.000 3.319 2.158) 3.959 4.085 ( 0.000 -5.917 -1.312) 6.061 4.085 ( 0.000 -5.917 1.312) 6.061 4.183 ( 0.000 2.037 -0.371) 2.070 4.183 ( 0.000 2.037 0.371) 2.070 4.207 ( 0.000 -2.003 -0.319) 2.028 4.207 ( 0.000 -2.003 0.319) 2.028 4.256 ( 0.000 2.894 -2.379) 3.746 4.256 ( 0.000 2.894 2.379) 3.746 4.333 ( 0.000 -1.407 -2.236) 2.642 4.333 ( 0.000 -1.407 2.236) 2.642 4.424 ( 0.000 3.411 -1.704) 3.813 4.424 ( 0.000 3.411 1.704) 3.813 4.602 ( 0.000 -0.236 -6.189) 6.194 4.602 ( 0.000 -0.236 6.189) 6.194 4.841 ( 0.000 1.754 -1.730) 2.464 4.841 ( 0.000 1.754 1.730) 2.464 4.918 ( 0.000 1.371 -0.734) 1.555 4.918 ( 0.000 1.371 0.734) 1.555 4.959 ( 0.000 -0.846 -0.367) 0.922 4.959 ( 0.000 -0.846 0.367) 0.922 5.055 ( 0.000 0.163 -1.416) 1.425 5.055 ( 0.000 0.163 1.416) 1.425 5.098 ( 0.000 3.447 -0.186) 3.452 5.098 ( 0.000 3.447 0.186) 3.452 5.246 ( 0.000 -0.317 -1.427) 1.461 5.246 ( 0.000 -0.317 1.427) 1.461 5.342 ( 0.000 -1.596 -1.600) 2.260 5.342 ( 0.000 -1.596 1.600) 2.260 5.394 ( 0.000 -1.986 -0.475) 2.043 5.394 ( 0.000 -1.986 0.475) 2.043 5.604 ( 0.000 0.932 -0.040) 0.933 5.604 ( 0.000 0.932 0.040) 0.933 5.719 ( 0.000 -1.695 -1.555) 2.300 5.719 ( 0.000 -1.695 1.555) 2.300 ======================= Grid point 172 (56/63) ======================= q-point: ( 0.20 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.969 ( 0.721 -0.405 -0.486) 0.960 0.969 ( 0.721 -0.405 0.486) 0.960 1.046 ( 0.309 1.106 -0.797) 1.398 1.046 ( 0.309 1.106 0.797) 1.398 1.235 ( -0.579 3.380 -0.898) 3.545 1.235 ( -0.579 3.380 0.898) 3.545 1.272 ( -0.410 4.492 -0.822) 4.585 1.272 ( -0.410 4.492 0.822) 4.585 1.464 ( 3.334 7.780 -2.961) 8.967 1.464 ( 3.334 7.780 2.961) 8.967 1.552 ( 2.102 1.368 -5.052) 5.640 1.552 ( 2.102 1.368 5.052) 5.640 1.681 ( 4.590 3.670 -3.352) 6.766 1.681 ( 4.590 3.670 3.352) 6.766 1.810 ( -0.187 4.080 -2.526) 4.802 1.810 ( -0.187 4.080 2.526) 4.802 1.976 ( 6.138 2.332 -0.979) 6.639 1.976 ( 6.138 2.332 0.979) 6.639 2.148 ( 1.198 -5.603 -0.797) 5.785 2.148 ( 1.198 -5.603 0.797) 5.785 2.298 ( -2.821 -1.227 -1.133) 3.278 2.298 ( -2.821 -1.227 1.133) 3.278 2.371 ( -0.971 -1.579 -2.030) 2.749 2.371 ( -0.971 -1.579 2.030) 2.749 2.489 ( 2.324 -0.960 -0.545) 2.573 2.489 ( 2.324 -0.960 0.545) 2.573 2.680 ( 1.950 10.009 -1.431) 10.297 2.680 ( 1.950 10.009 1.431) 10.297 2.711 ( 0.663 8.698 -0.804) 8.760 2.711 ( 0.663 8.698 0.804) 8.760 2.764 ( 0.456 6.153 -0.711) 6.211 2.764 ( 0.456 6.153 0.711) 6.211 2.888 ( -1.273 11.507 -1.737) 11.707 2.888 ( -1.273 11.507 1.737) 11.707 3.262 ( -13.398 -1.697 -0.571) 13.517 3.262 ( -13.398 -1.697 0.571) 13.517 3.967 ( 0.861 2.504 -1.817) 3.211 3.967 ( 0.861 2.504 1.817) 3.211 4.073 ( -1.016 -4.985 -1.163) 5.219 4.073 ( -1.016 -4.985 1.163) 5.219 4.140 ( -2.576 2.347 -1.814) 3.929 4.140 ( -2.576 2.347 1.814) 3.929 4.189 ( -2.012 0.190 -1.829) 2.726 4.189 ( -2.012 0.190 1.829) 2.726 4.289 ( 2.824 0.975 -1.605) 3.392 4.289 ( 2.824 0.975 1.605) 3.392 4.360 ( 1.665 -0.849 -1.440) 2.359 4.360 ( 1.665 -0.849 1.440) 2.359 4.446 ( 1.992 2.779 -1.279) 3.651 4.446 ( 1.992 2.779 1.279) 3.651 4.585 ( -1.659 0.086 -4.949) 5.221 4.585 ( -1.659 0.086 4.949) 5.221 4.837 ( -0.224 1.439 -1.683) 2.226 4.837 ( -0.224 1.439 1.683) 2.226 4.899 ( -1.816 0.112 -1.586) 2.414 4.899 ( -1.816 0.112 1.586) 2.414 4.960 ( 0.567 1.127 -0.023) 1.262 4.960 ( 0.567 1.127 0.023) 1.262 5.064 ( -0.463 2.557 -0.826) 2.727 5.064 ( -0.463 2.557 0.826) 2.727 5.141 ( 4.390 0.354 -1.118) 4.544 5.141 ( 4.390 0.354 1.118) 4.544 5.244 ( 0.197 -0.702 -1.060) 1.286 5.244 ( 0.197 -0.702 1.060) 1.286 5.353 ( 0.723 -2.132 -1.553) 2.735 5.353 ( 0.723 -2.132 1.553) 2.735 5.415 ( 1.876 -1.231 -0.200) 2.253 5.415 ( 1.876 -1.231 0.200) 2.253 5.605 ( 0.029 0.954 -0.157) 0.967 5.605 ( 0.029 0.954 0.157) 0.967 5.716 ( -0.280 -1.524 -1.281) 2.010 5.716 ( -0.280 -1.524 1.281) 2.010 ======================= Grid point 174 (57/63) ======================= q-point: ( 0.40 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.984 ( 0.633 0.720 -0.254) 0.992 0.984 ( 0.633 0.720 0.254) 0.992 1.044 ( -0.317 0.156 -0.342) 0.492 1.044 ( -0.317 0.156 0.342) 0.492 1.226 ( -0.295 3.286 -0.324) 3.315 1.226 ( -0.295 3.286 0.324) 3.315 1.265 ( -0.310 1.404 -0.083) 1.440 1.265 ( -0.310 1.404 0.083) 1.440 1.501 ( 1.181 6.427 -2.727) 7.081 1.501 ( 1.181 6.427 2.727) 7.081 1.554 ( -0.853 4.527 -2.813) 5.398 1.554 ( -0.853 4.527 2.813) 5.398 1.774 ( 2.871 3.808 -3.440) 5.881 1.774 ( 2.871 3.808 3.440) 5.881 1.803 ( -0.671 3.671 -3.440) 5.076 1.803 ( -0.671 3.671 3.440) 5.076 2.142 ( 5.604 -2.167 -1.121) 6.112 2.142 ( 5.604 -2.167 1.121) 6.112 2.215 ( 3.057 0.384 -0.179) 3.087 2.215 ( 3.057 0.384 0.179) 3.087 2.236 ( 1.686 -2.260 -0.160) 2.824 2.236 ( 1.686 -2.260 0.160) 2.824 2.345 ( -2.511 0.051 -1.330) 2.841 2.345 ( -2.511 0.051 1.330) 2.841 2.586 ( 9.013 -1.780 -0.697) 9.213 2.586 ( 9.013 -1.780 0.697) 9.213 2.702 ( 0.262 10.902 -0.125) 10.906 2.702 ( 0.262 10.902 0.125) 10.906 2.727 ( 0.651 5.025 -0.546) 5.096 2.727 ( 0.651 5.025 0.546) 5.096 2.783 ( 0.860 9.305 -0.457) 9.356 2.783 ( 0.860 9.305 0.457) 9.356 2.855 ( -1.900 8.747 -2.111) 9.197 2.855 ( -1.900 8.747 2.111) 9.197 2.941 ( -16.979 -0.465 -1.459) 17.048 2.941 ( -16.979 -0.465 1.459) 17.048 3.984 ( 0.715 0.354 -0.799) 1.129 3.984 ( 0.715 0.354 0.799) 1.129 4.056 ( -0.604 -3.139 -0.399) 3.221 4.056 ( -0.604 -3.139 0.399) 3.221 4.103 ( -1.080 3.941 -1.071) 4.225 4.103 ( -1.080 3.941 1.071) 4.225 4.158 ( -0.920 0.910 -1.080) 1.685 4.158 ( -0.920 0.910 1.080) 1.685 4.337 ( 1.766 0.302 -0.848) 1.982 4.337 ( 1.766 0.302 0.848) 1.982 4.377 ( 0.062 -0.880 -1.002) 1.335 4.377 ( 0.062 -0.880 1.002) 1.335 4.490 ( 2.231 1.835 -1.036) 3.069 4.490 ( 2.231 1.835 1.036) 3.069 4.546 ( -2.051 1.076 -2.370) 3.314 4.546 ( -2.051 1.076 2.370) 3.314 4.837 ( 0.180 0.644 -1.229) 1.399 4.837 ( 0.180 0.644 1.229) 1.399 4.865 ( -1.287 0.461 -1.225) 1.835 4.865 ( -1.287 0.461 1.225) 1.835 4.977 ( 0.841 1.593 -0.619) 1.905 4.977 ( 0.841 1.593 0.619) 1.905 5.045 ( -0.965 2.965 -0.955) 3.261 5.045 ( -0.965 2.965 0.955) 3.261 5.200 ( 0.987 0.831 -0.308) 1.327 5.200 ( 0.987 0.831 0.308) 1.327 5.266 ( 1.387 -2.815 -0.578) 3.191 5.266 ( 1.387 -2.815 0.578) 3.191 5.382 ( 2.625 -1.705 -1.181) 3.346 5.382 ( 2.625 -1.705 1.181) 3.346 5.431 ( -0.811 -1.004 -0.507) 1.387 5.431 ( -0.811 -1.004 0.507) 1.387 5.605 ( 0.021 0.972 -0.112) 0.978 5.605 ( 0.021 0.972 0.112) 0.978 5.711 ( -0.141 -1.259 -0.508) 1.365 5.711 ( -0.141 -1.259 0.508) 1.365 ======================= Grid point 180 (58/63) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.935 ( 0.000 -1.576 -0.368) 1.618 0.935 ( 0.000 -1.576 0.368) 1.618 1.032 ( 0.000 -2.212 -0.877) 2.379 1.032 ( 0.000 -2.212 0.877) 2.379 1.236 ( 0.000 -2.499 -1.762) 3.058 1.236 ( 0.000 -2.499 1.762) 3.058 1.291 ( 0.000 -3.680 -0.418) 3.703 1.291 ( 0.000 -3.680 0.418) 3.703 1.532 ( 0.000 5.476 -1.039) 5.574 1.532 ( 0.000 5.476 1.039) 5.574 1.585 ( 0.000 1.444 -4.710) 4.927 1.585 ( 0.000 1.444 4.710) 4.927 1.716 ( 0.000 6.704 -0.821) 6.754 1.716 ( 0.000 6.704 0.821) 6.754 1.889 ( 0.000 3.168 -3.394) 4.643 1.889 ( 0.000 3.168 3.394) 4.643 1.972 ( 0.000 1.719 -0.052) 1.719 1.972 ( 0.000 1.719 0.052) 1.719 2.026 ( 0.000 -3.108 -0.312) 3.123 2.026 ( 0.000 -3.108 0.312) 3.123 2.293 ( 0.000 -3.078 -1.061) 3.256 2.293 ( 0.000 -3.078 1.061) 3.256 2.349 ( 0.000 -1.686 -0.980) 1.950 2.349 ( 0.000 -1.686 0.980) 1.950 2.445 ( 0.000 -1.405 -0.393) 1.459 2.445 ( 0.000 -1.405 0.393) 1.459 2.783 ( 0.000 3.159 -2.804) 4.224 2.783 ( 0.000 3.159 2.804) 4.224 2.869 ( 0.000 5.912 -1.148) 6.022 2.869 ( 0.000 5.912 1.148) 6.022 2.875 ( 0.000 8.041 -2.133) 8.319 2.875 ( 0.000 8.041 2.133) 8.319 3.104 ( 0.000 6.927 -1.109) 7.016 3.104 ( 0.000 6.927 1.109) 7.016 3.385 ( 0.000 0.533 -0.857) 1.009 3.385 ( 0.000 0.533 0.857) 1.009 3.947 ( 0.000 -4.360 -0.369) 4.376 3.947 ( 0.000 -4.360 0.369) 4.376 4.047 ( 0.000 2.818 -1.947) 3.425 4.047 ( 0.000 2.818 1.947) 3.425 4.208 ( 0.000 1.574 -0.009) 1.574 4.208 ( 0.000 1.574 0.009) 1.574 4.217 ( 0.000 1.895 -0.110) 1.898 4.217 ( 0.000 1.895 0.110) 1.898 4.290 ( 0.000 1.048 -1.786) 2.071 4.290 ( 0.000 1.048 1.786) 2.071 4.351 ( 0.000 2.476 -2.543) 3.549 4.351 ( 0.000 2.476 2.543) 3.549 4.475 ( 0.000 1.757 -1.538) 2.335 4.475 ( 0.000 1.757 1.538) 2.335 4.585 ( 0.000 -1.626 -3.338) 3.713 4.585 ( 0.000 -1.626 3.338) 3.713 4.871 ( 0.000 1.344 -1.407) 1.946 4.871 ( 0.000 1.344 1.407) 1.946 4.923 ( 0.000 -0.261 -1.085) 1.116 4.923 ( 0.000 -0.261 1.085) 1.116 4.971 ( 0.000 1.527 -0.125) 1.532 4.971 ( 0.000 1.527 0.125) 1.532 5.049 ( 0.000 -0.777 -1.059) 1.314 5.049 ( 0.000 -0.777 1.059) 1.314 5.150 ( 0.000 1.834 -0.186) 1.843 5.150 ( 0.000 1.834 0.186) 1.843 5.238 ( 0.000 -0.646 -2.528) 2.609 5.238 ( 0.000 -0.646 2.528) 2.609 5.288 ( 0.000 -3.467 -1.774) 3.895 5.288 ( 0.000 -3.467 1.774) 3.895 5.371 ( 0.000 -0.575 -0.303) 0.650 5.371 ( 0.000 -0.575 0.303) 0.650 5.626 ( 0.000 1.068 -0.353) 1.125 5.626 ( 0.000 1.068 0.353) 1.125 5.697 ( 0.000 -0.712 -1.693) 1.837 5.697 ( 0.000 -0.712 1.693) 1.837 ======================= Grid point 182 (59/63) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.946 ( 1.124 -1.479 -0.335) 1.887 0.946 ( 1.124 -1.479 0.335) 1.887 1.032 ( -0.144 -2.189 -0.699) 2.302 1.032 ( -0.144 -2.189 0.699) 2.302 1.234 ( -0.163 -2.337 -1.332) 2.695 1.234 ( -0.163 -2.337 1.332) 2.695 1.271 ( -1.527 -3.265 -0.348) 3.622 1.271 ( -1.527 -3.265 0.348) 3.622 1.592 ( 1.347 2.242 -3.906) 4.701 1.592 ( 1.347 2.242 3.906) 4.701 1.628 ( 4.508 6.700 -1.639) 8.240 1.628 ( 4.508 6.700 1.639) 8.240 1.754 ( 5.097 4.637 -1.304) 7.013 1.754 ( 5.097 4.637 1.304) 7.013 1.882 ( -0.528 2.951 -2.959) 4.212 1.882 ( -0.528 2.951 2.959) 4.212 2.000 ( 2.582 -0.169 -1.204) 2.854 2.000 ( 2.582 -0.169 1.204) 2.854 2.064 ( 5.490 -1.562 -0.133) 5.710 2.064 ( 5.490 -1.562 0.133) 5.710 2.253 ( -3.960 -3.511 -1.022) 5.390 2.253 ( -3.960 -3.511 1.022) 5.390 2.346 ( 0.189 -0.745 -1.217) 1.440 2.346 ( 0.189 -0.745 1.217) 1.440 2.453 ( 0.861 -2.306 -0.181) 2.468 2.453 ( 0.861 -2.306 0.181) 2.468 2.793 ( 0.877 2.979 -2.878) 4.234 2.793 ( 0.877 2.979 2.878) 4.234 2.859 ( -0.724 5.281 -1.576) 5.559 2.859 ( -0.724 5.281 1.576) 5.559 2.914 ( 3.393 9.038 -2.189) 9.899 2.914 ( 3.393 9.038 2.189) 9.899 3.072 ( -3.916 5.143 -1.155) 6.567 3.072 ( -3.916 5.143 1.155) 6.567 3.265 ( -11.098 2.521 -1.151) 11.438 3.265 ( -11.098 2.521 1.151) 11.438 3.952 ( 0.597 -3.595 -0.427) 3.669 3.952 ( 0.597 -3.595 0.427) 3.669 4.038 ( -0.981 1.802 -1.485) 2.532 4.038 ( -0.981 1.802 1.485) 2.532 4.194 ( -0.928 3.675 -1.039) 3.931 4.194 ( -0.928 3.675 1.039) 3.931 4.214 ( -0.178 2.012 -1.160) 2.329 4.214 ( -0.178 2.012 1.160) 2.329 4.311 ( 1.666 0.802 -1.881) 2.638 4.311 ( 1.666 0.802 1.881) 2.638 4.360 ( 0.617 0.826 -1.730) 2.014 4.360 ( 0.617 0.826 1.730) 2.014 4.486 ( 1.074 1.309 -1.165) 2.055 4.486 ( 1.074 1.309 1.165) 2.055 4.574 ( -0.897 -1.199 -2.454) 2.875 4.574 ( -0.897 -1.199 2.454) 2.875 4.862 ( -0.757 1.069 -1.495) 1.987 4.862 ( -0.757 1.069 1.495) 1.987 4.898 ( -1.651 0.014 -1.427) 2.183 4.898 ( -1.651 0.014 1.427) 2.183 4.986 ( 0.927 1.461 -0.488) 1.798 4.986 ( 0.927 1.461 0.488) 1.798 5.084 ( 1.898 -0.340 -0.287) 1.949 5.084 ( 1.898 -0.340 0.287) 1.949 5.155 ( 1.372 0.931 -0.283) 1.682 5.155 ( 1.372 0.931 0.283) 1.682 5.234 ( -0.236 -0.558 -1.890) 1.985 5.234 ( -0.236 -0.558 1.890) 1.985 5.300 ( 1.307 -3.046 -1.587) 3.675 5.300 ( 1.307 -3.046 1.587) 3.675 5.400 ( 2.144 -0.438 -0.161) 2.195 5.400 ( 2.144 -0.438 0.161) 2.195 5.628 ( 0.175 1.182 -0.413) 1.264 5.628 ( 0.175 1.182 0.413) 1.264 5.694 ( -0.216 -0.772 -1.431) 1.640 5.694 ( -0.216 -0.772 1.431) 1.640 ======================= Grid point 184 (60/63) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.973 ( 1.368 -1.215 -0.209) 1.842 0.973 ( 1.368 -1.215 0.209) 1.842 1.022 ( -0.820 -1.988 -0.197) 2.159 1.022 ( -0.820 -1.988 0.197) 2.159 1.228 ( -0.410 -2.161 -0.184) 2.208 1.228 ( -0.410 -2.161 0.184) 2.208 1.248 ( -0.581 -2.850 -0.245) 2.919 1.248 ( -0.581 -2.850 0.245) 2.919 1.615 ( 0.878 4.757 -1.909) 5.200 1.615 ( 0.878 4.757 1.909) 5.200 1.657 ( 0.032 5.729 -1.216) 5.857 1.657 ( 0.032 5.729 1.216) 5.857 1.839 ( 1.972 2.539 -2.248) 3.923 1.839 ( 1.972 2.539 2.248) 3.923 1.873 ( -0.318 3.445 -2.349) 4.182 1.873 ( -0.318 3.445 2.349) 4.182 2.055 ( 3.202 -4.767 -1.407) 5.912 2.055 ( 3.202 -4.767 1.407) 5.912 2.150 ( -3.940 -4.520 -1.127) 6.101 2.150 ( -3.940 -4.520 1.127) 6.101 2.273 ( 8.506 3.289 -0.672) 9.145 2.273 ( 8.506 3.289 0.672) 9.145 2.354 ( 0.451 0.827 -0.764) 1.213 2.354 ( 0.451 0.827 0.764) 1.213 2.523 ( 9.997 -4.085 -0.568) 10.814 2.523 ( 9.997 -4.085 0.568) 10.814 2.797 ( -4.971 1.919 -1.647) 5.577 2.797 ( -4.971 1.919 1.647) 5.577 2.837 ( -1.505 3.791 -0.993) 4.198 2.837 ( -1.505 3.791 0.993) 4.198 2.879 ( -10.723 0.254 -0.474) 10.736 2.879 ( -10.723 0.254 0.474) 10.736 2.999 ( 3.996 9.474 -3.355) 10.816 2.999 ( 3.996 9.474 3.355) 10.816 3.088 ( -5.448 9.771 -2.542) 11.473 3.088 ( -5.448 9.771 2.542) 11.473 3.969 ( 0.976 -1.489 -0.322) 1.809 3.969 ( 0.976 -1.489 0.322) 1.809 4.014 ( -1.260 -0.660 -0.570) 1.532 4.014 ( -1.260 -0.660 0.570) 1.532 4.186 ( 0.000 4.656 -0.839) 4.731 4.186 ( 0.000 4.656 0.839) 4.731 4.208 ( -0.344 3.794 -1.259) 4.012 4.208 ( -0.344 3.794 1.259) 4.012 4.342 ( 1.452 -0.117 -1.499) 2.090 4.342 ( 1.452 -0.117 1.499) 2.090 4.363 ( -0.494 -0.606 -1.491) 1.684 4.363 ( -0.494 -0.606 1.491) 1.684 4.509 ( 0.981 0.291 -0.678) 1.228 4.509 ( 0.981 0.291 0.678) 1.228 4.557 ( -0.715 -0.155 -0.842) 1.115 4.557 ( -0.715 -0.155 0.842) 1.115 4.849 ( -0.409 0.677 -0.866) 1.172 4.849 ( -0.409 0.677 0.866) 1.172 4.874 ( -0.715 0.382 -0.809) 1.146 4.874 ( -0.715 0.382 0.809) 1.146 5.003 ( 0.695 1.263 -0.613) 1.566 5.003 ( 0.695 1.263 0.613) 1.566 5.084 ( -0.777 0.794 -0.736) 1.333 5.084 ( -0.777 0.794 0.736) 1.333 5.201 ( 1.994 -0.762 -0.695) 2.245 5.201 ( 1.994 -0.762 0.695) 2.245 5.226 ( -0.670 -1.158 -0.777) 1.547 5.226 ( -0.670 -1.158 0.777) 1.547 5.353 ( 3.910 -1.255 -0.778) 4.180 5.353 ( 3.910 -1.255 0.778) 4.180 5.415 ( -1.146 -0.645 -0.224) 1.334 5.415 ( -1.146 -0.645 0.224) 1.334 5.631 ( 0.113 1.396 -0.235) 1.420 5.631 ( 0.113 1.396 0.235) 1.420 5.691 ( -0.117 -0.908 -0.591) 1.089 5.691 ( -0.117 -0.908 0.591) 1.089 ======================= Grid point 190 (61/63) ======================= q-point: ( 0.00 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.917 ( 0.000 -0.032 -0.283) 0.284 0.917 ( 0.000 -0.032 0.283) 0.284 0.975 ( 0.000 -2.702 -0.564) 2.761 0.975 ( 0.000 -2.702 0.564) 2.761 1.168 ( 0.000 -2.796 -1.162) 3.028 1.168 ( 0.000 -2.796 1.162) 3.028 1.240 ( 0.000 -1.299 -0.285) 1.330 1.240 ( 0.000 -1.299 0.285) 1.330 1.572 ( 0.000 -0.858 -1.193) 1.469 1.572 ( 0.000 -0.858 1.193) 1.469 1.606 ( 0.000 1.875 -0.536) 1.950 1.606 ( 0.000 1.875 0.536) 1.950 1.849 ( 0.000 4.817 -1.002) 4.920 1.849 ( 0.000 4.817 1.002) 4.920 1.920 ( 0.000 0.130 -1.330) 1.337 1.920 ( 0.000 0.130 1.330) 1.337 1.974 ( 0.000 0.109 -0.732) 0.740 1.974 ( 0.000 0.109 0.732) 0.740 2.044 ( 0.000 2.410 -0.305) 2.429 2.044 ( 0.000 2.410 0.305) 2.429 2.207 ( 0.000 -4.413 -0.900) 4.504 2.207 ( 0.000 -4.413 0.900) 4.504 2.337 ( 0.000 -0.041 -0.463) 0.465 2.337 ( 0.000 -0.041 0.463) 0.465 2.421 ( 0.000 -0.762 -0.290) 0.816 2.421 ( 0.000 -0.762 0.290) 0.816 2.817 ( 0.000 0.763 -1.374) 1.572 2.817 ( 0.000 0.763 1.374) 1.572 2.943 ( 0.000 1.970 -0.588) 2.056 2.943 ( 0.000 1.970 0.588) 2.056 2.999 ( 0.000 3.636 -0.968) 3.762 2.999 ( 0.000 3.636 0.968) 3.762 3.170 ( 0.000 1.041 -0.388) 1.111 3.170 ( 0.000 1.041 0.388) 1.111 3.404 ( 0.000 0.726 -0.579) 0.928 3.404 ( 0.000 0.726 0.579) 0.928 3.888 ( 0.000 -1.474 -0.194) 1.486 3.888 ( 0.000 -1.474 0.194) 1.486 4.095 ( 0.000 1.489 -0.721) 1.655 4.095 ( 0.000 1.489 0.721) 1.655 4.234 ( 0.000 0.804 -0.203) 0.829 4.234 ( 0.000 0.804 0.203) 0.829 4.251 ( 0.000 0.898 -0.277) 0.939 4.251 ( 0.000 0.898 0.277) 0.939 4.312 ( 0.000 0.891 -1.127) 1.437 4.312 ( 0.000 0.891 1.127) 1.437 4.411 ( 0.000 3.277 -1.230) 3.500 4.411 ( 0.000 3.277 1.230) 3.500 4.496 ( 0.000 0.580 -0.727) 0.930 4.496 ( 0.000 0.580 0.727) 0.930 4.542 ( 0.000 -2.424 -0.826) 2.560 4.542 ( 0.000 -2.424 0.826) 2.560 4.896 ( 0.000 1.193 -0.657) 1.362 4.896 ( 0.000 1.193 0.657) 1.362 4.918 ( 0.000 -0.449 -0.418) 0.613 4.918 ( 0.000 -0.449 0.418) 0.613 5.002 ( 0.000 1.507 -0.218) 1.523 5.002 ( 0.000 1.507 0.218) 1.523 5.029 ( 0.000 -1.193 -0.498) 1.293 5.029 ( 0.000 -1.193 0.498) 1.293 5.165 ( 0.000 -0.237 -0.335) 0.410 5.165 ( 0.000 -0.237 0.335) 0.410 5.222 ( 0.000 -0.803 -1.931) 2.091 5.222 ( 0.000 -0.803 1.931) 2.091 5.236 ( 0.000 -1.168 -1.638) 2.012 5.236 ( 0.000 -1.168 1.638) 2.012 5.365 ( 0.000 -0.166 -0.145) 0.221 5.365 ( 0.000 -0.166 0.145) 0.221 5.641 ( 0.000 0.418 -0.274) 0.500 5.641 ( 0.000 0.418 0.274) 0.500 5.689 ( 0.000 -0.181 -0.771) 0.792 5.689 ( 0.000 -0.181 0.771) 0.792 ======================= Grid point 192 (62/63) ======================= q-point: ( 0.20 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.928 ( 1.097 -0.202 -0.414) 1.189 0.928 ( 1.097 -0.202 0.414) 1.189 0.982 ( 0.476 -2.242 -0.570) 2.362 0.982 ( 0.476 -2.242 0.570) 2.362 1.171 ( 0.292 -2.625 -0.992) 2.822 1.171 ( 0.292 -2.625 0.992) 2.822 1.223 ( -1.478 -1.332 -0.193) 1.999 1.223 ( -1.478 -1.332 0.193) 1.999 1.604 ( 3.162 -0.153 -1.267) 3.409 1.604 ( 3.162 -0.153 1.267) 3.409 1.714 ( 7.052 2.035 -0.525) 7.359 1.714 ( 7.052 2.035 0.525) 7.359 1.848 ( 0.232 3.925 -0.503) 3.964 1.848 ( 0.232 3.925 0.503) 3.964 1.907 ( -0.769 -0.100 -1.079) 1.329 1.907 ( -0.769 -0.100 1.079) 1.329 2.015 ( 2.369 1.915 -0.433) 3.077 2.015 ( 2.369 1.915 0.433) 3.077 2.057 ( 3.521 -0.476 -0.702) 3.621 2.057 ( 3.521 -0.476 0.702) 3.621 2.179 ( -1.133 -3.096 -0.687) 3.368 2.179 ( -1.133 -3.096 0.687) 3.368 2.342 ( 0.649 0.113 -0.428) 0.785 2.342 ( 0.649 0.113 0.428) 0.785 2.415 ( -0.601 -1.243 -0.188) 1.393 2.415 ( -0.601 -1.243 0.188) 1.393 2.828 ( 0.980 0.804 -1.306) 1.820 2.828 ( 0.980 0.804 1.306) 1.820 2.927 ( -1.304 1.805 -0.761) 2.353 2.927 ( -1.304 1.805 0.761) 2.353 3.046 ( 3.953 3.819 -0.821) 5.557 3.046 ( 3.953 3.819 0.821) 5.557 3.105 ( -7.898 0.073 -0.396) 7.908 3.105 ( -7.898 0.073 0.396) 7.908 3.321 ( -6.560 1.889 -0.805) 6.874 3.321 ( -6.560 1.889 0.805) 6.874 3.904 ( 1.662 -1.178 -0.218) 2.049 3.904 ( 1.662 -1.178 0.218) 2.049 4.072 ( -2.257 1.170 -0.456) 2.582 4.072 ( -2.257 1.170 0.456) 2.582 4.245 ( 1.120 1.070 -0.258) 1.570 4.245 ( 1.120 1.070 0.258) 1.570 4.264 ( 1.023 2.351 -0.300) 2.581 4.264 ( 1.023 2.351 0.300) 2.581 4.318 ( 0.634 -0.110 -1.099) 1.274 4.318 ( 0.634 -0.110 1.099) 1.274 4.387 ( -2.081 1.615 -1.079) 2.846 4.387 ( -2.081 1.615 1.079) 2.846 4.505 ( 0.626 1.015 -0.587) 1.329 4.505 ( 0.626 1.015 0.587) 1.329 4.540 ( -0.105 -2.142 -0.657) 2.243 4.540 ( -0.105 -2.142 0.657) 2.243 4.882 ( -1.208 0.979 -0.764) 1.733 4.882 ( -1.208 0.979 0.764) 1.733 4.896 ( -1.346 -0.365 -0.543) 1.497 4.896 ( -1.346 -0.365 0.543) 1.497 5.013 ( 0.741 1.144 -0.309) 1.398 5.013 ( 0.741 1.144 0.309) 1.398 5.066 ( 2.209 -1.069 -0.212) 2.463 5.066 ( 2.209 -1.069 0.212) 2.463 5.166 ( 0.699 0.149 -0.353) 0.797 5.166 ( 0.699 0.149 0.353) 0.797 5.224 ( -0.435 -0.240 -1.234) 1.330 5.224 ( -0.435 -0.240 1.234) 1.330 5.251 ( 2.575 -1.564 -1.162) 3.229 5.251 ( 2.575 -1.564 1.162) 3.229 5.395 ( 2.150 -0.145 -0.100) 2.157 5.395 ( 2.150 -0.145 0.100) 2.157 5.645 ( 0.378 0.488 -0.346) 0.707 5.645 ( 0.378 0.488 0.346) 0.707 5.684 ( -0.402 -0.260 -0.721) 0.865 5.684 ( -0.402 -0.260 0.721) 0.865 ======================= Grid point 194 (63/63) ======================= q-point: ( 0.40 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-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| 0.955 ( 1.491 -0.355 -0.415) 1.588 0.955 ( 1.491 -0.355 0.415) 1.588 0.983 ( -0.448 -1.516 -0.398) 1.630 0.983 ( -0.448 -1.516 0.398) 1.630 1.178 ( 0.404 -2.065 -0.561) 2.177 1.178 ( 0.404 -2.065 0.561) 2.177 1.195 ( -1.174 -1.751 -0.182) 2.115 1.195 ( -1.174 -1.751 0.182) 2.115 1.681 ( 4.297 2.025 -0.770) 4.812 1.681 ( 4.297 2.025 0.770) 4.812 1.753 ( -1.823 3.403 -0.537) 3.898 1.753 ( -1.823 3.403 0.537) 3.898 1.860 ( 0.492 0.398 -0.523) 0.821 1.860 ( 0.492 0.398 0.523) 0.821 1.897 ( -0.415 -1.567 -0.968) 1.888 1.897 ( -0.415 -1.567 0.968) 1.888 2.021 ( -0.162 1.524 -0.217) 1.548 2.021 ( -0.162 1.524 0.217) 1.548 2.072 ( -1.843 -3.310 -0.459) 3.817 2.072 ( -1.843 -3.310 0.459) 3.817 2.341 ( 5.498 3.262 -0.459) 6.409 2.341 ( 5.498 3.262 0.459) 6.409 2.372 ( 3.032 1.140 -0.196) 3.245 2.372 ( 3.032 1.140 0.196) 3.245 2.440 ( 11.945 -4.315 -0.703) 12.720 2.440 ( 11.945 -4.315 0.703) 12.720 2.802 ( -14.425 -0.410 -0.576) 14.442 2.802 ( -14.425 -0.410 0.576) 14.442 2.877 ( -2.800 0.927 -0.740) 3.041 2.877 ( -2.800 0.927 0.740) 3.041 2.900 ( -2.159 0.955 -0.748) 2.476 2.900 ( -2.159 0.955 0.748) 2.476 3.134 ( 4.529 3.771 -1.328) 6.041 3.134 ( 4.529 3.771 1.328) 6.041 3.218 ( -4.320 3.359 -1.153) 5.592 3.218 ( -4.320 3.359 1.153) 5.592 3.950 ( 2.985 -0.370 -0.219) 3.015 3.950 ( 2.985 -0.370 0.219) 3.015 4.016 ( -3.348 0.355 -0.204) 3.373 4.016 ( -3.348 0.355 0.204) 3.373 4.270 ( 1.061 3.335 -0.987) 3.637 4.270 ( 1.061 3.335 0.987) 3.637 4.281 ( 0.688 3.218 -1.265) 3.525 4.281 ( 0.688 3.218 1.265) 3.525 4.330 ( 0.400 -1.264 -1.038) 1.684 4.330 ( 0.400 -1.264 1.038) 1.684 4.346 ( -1.683 -1.038 -1.291) 2.362 4.346 ( -1.683 -1.038 1.291) 2.362 4.515 ( 0.329 0.681 -0.331) 0.826 4.515 ( 0.329 0.681 0.331) 0.826 4.539 ( -0.026 -1.497 -0.491) 1.575 4.539 ( -0.026 -1.497 0.491) 1.575 4.863 ( -0.501 0.734 -0.477) 1.009 4.863 ( -0.501 0.734 0.477) 1.009 4.876 ( -0.675 -0.280 -0.376) 0.822 4.876 ( -0.675 -0.280 0.376) 0.822 5.030 ( 0.812 1.473 -0.435) 1.737 5.030 ( 0.812 1.473 0.435) 1.737 5.074 ( -0.617 -1.413 -0.440) 1.603 5.074 ( -0.617 -1.413 0.440) 1.603 5.191 ( 1.210 -0.056 -0.300) 1.248 5.191 ( 1.210 -0.056 0.300) 1.248 5.212 ( -0.768 -0.489 -0.407) 0.998 5.212 ( -0.768 -0.489 0.407) 0.998 5.335 ( 5.189 -0.542 -0.268) 5.224 5.335 ( 5.189 -0.542 0.268) 5.224 5.407 ( -1.530 -0.224 -0.089) 1.549 5.407 ( -1.530 -0.224 0.089) 1.549 5.653 ( 0.412 0.834 -0.322) 0.984 5.653 ( 0.412 0.834 0.322) 0.984 5.675 ( -0.415 -0.627 -0.451) 0.876 5.675 ( -0.415 -0.627 0.451) 0.876 =================== 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 17.561 58.740 33.424 0.000 0.000 0.000 3/18720 20.0 5.005 15.911 7.215 0.000 0.000 0.000 3/18720 30.0 3.335 8.716 3.624 0.000 0.000 0.000 3/18720 40.0 2.679 6.045 2.386 0.000 0.000 -0.000 3/18720 50.0 2.258 4.645 1.777 0.000 0.000 -0.000 3/18720 60.0 1.949 3.781 1.418 0.000 0.000 -0.000 3/18720 70.0 1.711 3.193 1.182 0.000 0.000 -0.000 3/18720 80.0 1.523 2.768 1.015 0.000 0.000 -0.000 3/18720 90.0 1.372 2.445 0.891 0.000 0.000 -0.000 3/18720 100.0 1.247 2.192 0.795 0.000 0.000 -0.000 3/18720 110.0 1.142 1.987 0.718 0.000 0.000 -0.000 3/18720 120.0 1.054 1.818 0.655 0.000 0.000 -0.000 3/18720 130.0 0.978 1.676 0.603 0.000 0.000 -0.000 3/18720 140.0 0.912 1.554 0.558 0.000 0.000 -0.000 3/18720 150.0 0.854 1.450 0.520 0.000 0.000 -0.000 3/18720 160.0 0.804 1.359 0.487 0.000 0.000 -0.000 3/18720 170.0 0.758 1.278 0.457 0.000 0.000 -0.000 3/18720 180.0 0.718 1.207 0.432 0.000 0.000 -0.000 3/18720 190.0 0.682 1.144 0.409 0.000 0.000 -0.000 3/18720 200.0 0.649 1.086 0.388 0.000 0.000 -0.000 3/18720 210.0 0.619 1.035 0.369 0.000 0.000 -0.000 3/18720 220.0 0.592 0.988 0.352 0.000 0.000 -0.000 3/18720 230.0 0.567 0.945 0.337 0.000 0.000 -0.000 3/18720 240.0 0.544 0.905 0.323 0.000 0.000 -0.000 3/18720 250.0 0.522 0.869 0.310 0.000 0.000 -0.000 3/18720 260.0 0.503 0.836 0.298 0.000 0.000 -0.000 3/18720 270.0 0.485 0.805 0.287 0.000 0.000 -0.000 3/18720 280.0 0.468 0.776 0.276 0.000 0.000 -0.000 3/18720 290.0 0.452 0.750 0.267 0.000 0.000 -0.000 3/18720 300.0 0.437 0.725 0.258 0.000 0.000 -0.000 3/18720 310.0 0.423 0.701 0.250 0.000 0.000 -0.000 3/18720 320.0 0.410 0.680 0.242 0.000 0.000 -0.000 3/18720 330.0 0.398 0.659 0.234 0.000 0.000 -0.000 3/18720 340.0 0.387 0.640 0.227 0.000 0.000 -0.000 3/18720 350.0 0.376 0.622 0.221 0.000 0.000 -0.000 3/18720 360.0 0.365 0.604 0.215 0.000 0.000 -0.000 3/18720 370.0 0.356 0.588 0.209 0.000 0.000 -0.000 3/18720 380.0 0.347 0.573 0.204 0.000 0.000 -0.000 3/18720 390.0 0.338 0.558 0.198 0.000 0.000 -0.000 3/18720 400.0 0.329 0.544 0.193 0.000 0.000 -0.000 3/18720 410.0 0.322 0.531 0.189 0.000 0.000 -0.000 3/18720 420.0 0.314 0.518 0.184 0.000 0.000 -0.000 3/18720 430.0 0.307 0.506 0.180 0.000 0.000 -0.000 3/18720 440.0 0.300 0.495 0.176 0.000 0.000 -0.000 3/18720 450.0 0.293 0.484 0.172 0.000 0.000 -0.000 3/18720 460.0 0.287 0.473 0.168 0.000 0.000 -0.000 3/18720 470.0 0.281 0.463 0.165 0.000 0.000 -0.000 3/18720 480.0 0.275 0.454 0.161 0.000 0.000 -0.000 3/18720 490.0 0.270 0.445 0.158 0.000 0.000 -0.000 3/18720 500.0 0.264 0.436 0.155 0.000 0.000 -0.000 3/18720 510.0 0.259 0.427 0.152 0.000 0.000 -0.000 3/18720 520.0 0.254 0.419 0.149 0.000 0.000 -0.000 3/18720 530.0 0.249 0.411 0.146 0.000 0.000 -0.000 3/18720 540.0 0.245 0.403 0.143 0.000 0.000 -0.000 3/18720 550.0 0.240 0.396 0.141 0.000 0.000 -0.000 3/18720 560.0 0.236 0.389 0.138 0.000 0.000 -0.000 3/18720 570.0 0.232 0.382 0.136 0.000 0.000 -0.000 3/18720 580.0 0.228 0.376 0.133 0.000 0.000 -0.000 3/18720 590.0 0.224 0.369 0.131 0.000 0.000 -0.000 3/18720 600.0 0.221 0.363 0.129 0.000 0.000 -0.000 3/18720 610.0 0.217 0.357 0.127 0.000 0.000 -0.000 3/18720 620.0 0.214 0.352 0.125 0.000 0.000 -0.000 3/18720 630.0 0.210 0.346 0.123 0.000 0.000 -0.000 3/18720 640.0 0.207 0.341 0.121 0.000 0.000 -0.000 3/18720 650.0 0.204 0.335 0.119 0.000 0.000 -0.000 3/18720 660.0 0.201 0.330 0.117 0.000 0.000 -0.000 3/18720 670.0 0.198 0.325 0.115 0.000 0.000 -0.000 3/18720 680.0 0.195 0.321 0.114 0.000 0.000 -0.000 3/18720 690.0 0.192 0.316 0.112 0.000 0.000 -0.000 3/18720 700.0 0.189 0.312 0.111 0.000 0.000 -0.000 3/18720 710.0 0.187 0.307 0.109 0.000 0.000 -0.000 3/18720 720.0 0.184 0.303 0.107 0.000 0.000 -0.000 3/18720 730.0 0.182 0.299 0.106 0.000 0.000 -0.000 3/18720 740.0 0.179 0.295 0.105 0.000 0.000 -0.000 3/18720 750.0 0.177 0.291 0.103 0.000 0.000 -0.000 3/18720 760.0 0.174 0.287 0.102 0.000 0.000 -0.000 3/18720 770.0 0.172 0.283 0.101 0.000 0.000 -0.000 3/18720 780.0 0.170 0.280 0.099 0.000 0.000 -0.000 3/18720 790.0 0.168 0.276 0.098 0.000 0.000 -0.000 3/18720 800.0 0.166 0.273 0.097 0.000 0.000 -0.000 3/18720 810.0 0.164 0.269 0.096 0.000 0.000 -0.000 3/18720 820.0 0.162 0.266 0.094 0.000 0.000 -0.000 3/18720 830.0 0.160 0.263 0.093 0.000 0.000 -0.000 3/18720 840.0 0.158 0.260 0.092 0.000 0.000 -0.000 3/18720 850.0 0.156 0.257 0.091 0.000 0.000 -0.000 3/18720 860.0 0.154 0.254 0.090 0.000 0.000 -0.000 3/18720 870.0 0.153 0.251 0.089 0.000 0.000 -0.000 3/18720 880.0 0.151 0.248 0.088 0.000 0.000 -0.000 3/18720 890.0 0.149 0.245 0.087 0.000 0.000 -0.000 3/18720 900.0 0.147 0.242 0.086 0.000 0.000 -0.000 3/18720 910.0 0.146 0.240 0.085 0.000 0.000 -0.000 3/18720 920.0 0.144 0.237 0.084 0.000 0.000 -0.000 3/18720 930.0 0.143 0.235 0.083 0.000 0.000 -0.000 3/18720 940.0 0.141 0.232 0.082 0.000 0.000 -0.000 3/18720 950.0 0.140 0.230 0.081 0.000 0.000 -0.000 3/18720 960.0 0.138 0.227 0.081 0.000 0.000 -0.000 3/18720 970.0 0.137 0.225 0.080 0.000 0.000 -0.000 3/18720 980.0 0.135 0.223 0.079 0.000 0.000 -0.000 3/18720 990.0 0.134 0.220 0.078 0.000 0.000 -0.000 3/18720 1000.0 0.133 0.218 0.077 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 17:56:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|