----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:26:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/n (86) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.401177830000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.401177830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.625665410000000 Atomic positions (fractional): *1 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 2 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 *3 Ag 0.89053773759109 0.32874882686145 0.95622801696546 107.868 4 Ag 0.39053773759109 0.82874882686145 0.54377198303454 107.868 5 Ag 0.60946226240891 0.17125117313855 0.54377198303454 107.868 6 Ag 0.17125117313855 0.39053773759109 0.45622801696546 107.868 7 Ag 0.82874882686145 0.60946226240891 0.45622801696546 107.868 8 Ag 0.32874882686145 0.10946226240891 0.04377198303454 107.868 9 Ag 0.10946226240891 0.67125117313855 0.95622801696546 107.868 10 Ag 0.67125117313855 0.89053773759109 0.04377198303454 107.868 *11 O 0.32834920523657 0.56570301405703 0.20112377317681 15.999 12 O 0.06570301405703 0.17165079476343 0.70112377317681 15.999 13 O 0.56570301405703 0.67165079476343 0.79887622682319 15.999 14 O 0.17165079476343 0.93429698594297 0.29887622682319 15.999 15 O 0.93429698594297 0.82834920523657 0.70112377317681 15.999 16 O 0.67165079476343 0.43429698594297 0.20112377317681 15.999 17 O 0.43429698594297 0.32834920523657 0.79887622682319 15.999 18 O 0.82834920523657 0.06570301405703 0.29887622682319 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.401177830000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.401177830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.625665410000000 Atomic positions (fractional): *1 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 > 1 2 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 > 2 *3 Ag 0.89053773759109 0.32874882686145 0.95622801696546 107.868 > 3 4 Ag 0.39053773759109 0.82874882686145 0.54377198303454 107.868 > 4 5 Ag 0.60946226240891 0.17125117313855 0.54377198303454 107.868 > 5 6 Ag 0.17125117313855 0.39053773759109 0.45622801696546 107.868 > 6 7 Ag 0.82874882686145 0.60946226240891 0.45622801696546 107.868 > 7 8 Ag 0.32874882686145 0.10946226240891 0.04377198303454 107.868 > 8 9 Ag 0.10946226240891 0.67125117313855 0.95622801696546 107.868 > 9 10 Ag 0.67125117313855 0.89053773759109 0.04377198303454 107.868 > 10 *11 O 0.32834920523657 0.56570301405703 0.20112377317681 15.999 > 11 12 O 0.06570301405703 0.17165079476343 0.70112377317681 15.999 > 12 13 O 0.56570301405703 0.67165079476343 0.79887622682319 15.999 > 13 14 O 0.17165079476343 0.93429698594297 0.29887622682319 15.999 > 14 15 O 0.93429698594297 0.82834920523657 0.70112377317681 15.999 > 15 16 O 0.67165079476343 0.43429698594297 0.20112377317681 15.999 > 16 17 O 0.43429698594297 0.32834920523657 0.79887622682319 15.999 > 17 18 O 0.82834920523657 0.06570301405703 0.29887622682319 15.999 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.802355660000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.802355660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.251330820000000 Atomic positions (fractional): *1 Si 0.00000000000000 0.00000000000000 0.25000000000000 28.085 > 1 2 Si 0.50000000000000 0.00000000000000 0.25000000000000 28.085 > 1 3 Si 0.00000000000000 0.50000000000000 0.25000000000000 28.085 > 1 4 Si 0.50000000000000 0.50000000000000 0.25000000000000 28.085 > 1 5 Si 0.00000000000000 0.00000000000000 0.75000000000000 28.085 > 1 6 Si 0.50000000000000 0.00000000000000 0.75000000000000 28.085 > 1 7 Si 0.00000000000000 0.50000000000000 0.75000000000000 28.085 > 1 8 Si 0.50000000000000 0.50000000000000 0.75000000000000 28.085 > 1 9 Si 0.25000000000000 0.25000000000000 0.00000000000000 28.085 > 2 10 Si 0.75000000000000 0.25000000000000 0.00000000000000 28.085 > 2 11 Si 0.25000000000000 0.75000000000000 0.00000000000000 28.085 > 2 12 Si 0.75000000000000 0.75000000000000 0.00000000000000 28.085 > 2 13 Si 0.25000000000000 0.25000000000000 0.50000000000000 28.085 > 2 14 Si 0.75000000000000 0.25000000000000 0.50000000000000 28.085 > 2 15 Si 0.25000000000000 0.75000000000000 0.50000000000000 28.085 > 2 16 Si 0.75000000000000 0.75000000000000 0.50000000000000 28.085 > 2 *17 Ag 0.44526886879555 0.16437441343072 0.47811400848273 107.868 > 3 18 Ag 0.94526886879555 0.16437441343072 0.47811400848273 107.868 > 3 19 Ag 0.44526886879555 0.66437441343072 0.47811400848273 107.868 > 3 20 Ag 0.94526886879555 0.66437441343072 0.47811400848273 107.868 > 3 21 Ag 0.44526886879555 0.16437441343072 0.97811400848273 107.868 > 3 22 Ag 0.94526886879555 0.16437441343072 0.97811400848273 107.868 > 3 23 Ag 0.44526886879555 0.66437441343072 0.97811400848273 107.868 > 3 24 Ag 0.94526886879555 0.66437441343072 0.97811400848273 107.868 > 3 25 Ag 0.19526886879555 0.41437441343072 0.27188599151727 107.868 > 4 26 Ag 0.69526886879555 0.41437441343072 0.27188599151727 107.868 > 4 27 Ag 0.19526886879555 0.91437441343072 0.27188599151727 107.868 > 4 28 Ag 0.69526886879555 0.91437441343072 0.27188599151727 107.868 > 4 29 Ag 0.19526886879555 0.41437441343072 0.77188599151727 107.868 > 4 30 Ag 0.69526886879555 0.41437441343072 0.77188599151727 107.868 > 4 31 Ag 0.19526886879555 0.91437441343072 0.77188599151727 107.868 > 4 32 Ag 0.69526886879555 0.91437441343072 0.77188599151727 107.868 > 4 33 Ag 0.30473113120445 0.08562558656928 0.27188599151727 107.868 > 5 34 Ag 0.80473113120445 0.08562558656928 0.27188599151727 107.868 > 5 35 Ag 0.30473113120445 0.58562558656928 0.27188599151727 107.868 > 5 36 Ag 0.80473113120445 0.58562558656928 0.27188599151727 107.868 > 5 37 Ag 0.30473113120445 0.08562558656928 0.77188599151727 107.868 > 5 38 Ag 0.80473113120445 0.08562558656928 0.77188599151727 107.868 > 5 39 Ag 0.30473113120445 0.58562558656928 0.77188599151727 107.868 > 5 40 Ag 0.80473113120445 0.58562558656928 0.77188599151727 107.868 > 5 41 Ag 0.08562558656928 0.19526886879555 0.22811400848273 107.868 > 6 42 Ag 0.58562558656928 0.19526886879555 0.22811400848273 107.868 > 6 43 Ag 0.08562558656928 0.69526886879555 0.22811400848273 107.868 > 6 44 Ag 0.58562558656928 0.69526886879555 0.22811400848273 107.868 > 6 45 Ag 0.08562558656928 0.19526886879555 0.72811400848273 107.868 > 6 46 Ag 0.58562558656928 0.19526886879555 0.72811400848273 107.868 > 6 47 Ag 0.08562558656928 0.69526886879555 0.72811400848273 107.868 > 6 48 Ag 0.58562558656928 0.69526886879555 0.72811400848273 107.868 > 6 49 Ag 0.41437441343072 0.30473113120445 0.22811400848273 107.868 > 7 50 Ag 0.91437441343072 0.30473113120445 0.22811400848273 107.868 > 7 51 Ag 0.41437441343072 0.80473113120445 0.22811400848273 107.868 > 7 52 Ag 0.91437441343072 0.80473113120445 0.22811400848273 107.868 > 7 53 Ag 0.41437441343072 0.30473113120445 0.72811400848273 107.868 > 7 54 Ag 0.91437441343072 0.30473113120445 0.72811400848273 107.868 > 7 55 Ag 0.41437441343072 0.80473113120445 0.72811400848273 107.868 > 7 56 Ag 0.91437441343072 0.80473113120445 0.72811400848273 107.868 > 7 57 Ag 0.16437441343072 0.05473113120445 0.02188599151727 107.868 > 8 58 Ag 0.66437441343072 0.05473113120445 0.02188599151727 107.868 > 8 59 Ag 0.16437441343072 0.55473113120445 0.02188599151727 107.868 > 8 60 Ag 0.66437441343072 0.55473113120445 0.02188599151727 107.868 > 8 61 Ag 0.16437441343072 0.05473113120445 0.52188599151727 107.868 > 8 62 Ag 0.66437441343072 0.05473113120445 0.52188599151727 107.868 > 8 63 Ag 0.16437441343072 0.55473113120445 0.52188599151727 107.868 > 8 64 Ag 0.66437441343072 0.55473113120445 0.52188599151727 107.868 > 8 65 Ag 0.05473113120445 0.33562558656928 0.47811400848273 107.868 > 9 66 Ag 0.55473113120445 0.33562558656928 0.47811400848273 107.868 > 9 67 Ag 0.05473113120445 0.83562558656928 0.47811400848273 107.868 > 9 68 Ag 0.55473113120445 0.83562558656928 0.47811400848273 107.868 > 9 69 Ag 0.05473113120445 0.33562558656928 0.97811400848273 107.868 > 9 70 Ag 0.55473113120445 0.33562558656928 0.97811400848273 107.868 > 9 71 Ag 0.05473113120445 0.83562558656928 0.97811400848273 107.868 > 9 72 Ag 0.55473113120445 0.83562558656928 0.97811400848273 107.868 > 9 73 Ag 0.33562558656928 0.44526886879555 0.02188599151727 107.868 > 10 74 Ag 0.83562558656928 0.44526886879555 0.02188599151727 107.868 > 10 75 Ag 0.33562558656928 0.94526886879555 0.02188599151727 107.868 > 10 76 Ag 0.83562558656928 0.94526886879555 0.02188599151727 107.868 > 10 77 Ag 0.33562558656928 0.44526886879555 0.52188599151727 107.868 > 10 78 Ag 0.83562558656928 0.44526886879555 0.52188599151727 107.868 > 10 79 Ag 0.33562558656928 0.94526886879555 0.52188599151727 107.868 > 10 80 Ag 0.83562558656928 0.94526886879555 0.52188599151727 107.868 > 10 *81 O 0.16417460261829 0.28285150702851 0.10056188658840 15.999 > 11 82 O 0.66417460261829 0.28285150702851 0.10056188658840 15.999 > 11 83 O 0.16417460261829 0.78285150702851 0.10056188658840 15.999 > 11 84 O 0.66417460261829 0.78285150702851 0.10056188658840 15.999 > 11 85 O 0.16417460261829 0.28285150702851 0.60056188658840 15.999 > 11 86 O 0.66417460261829 0.28285150702851 0.60056188658840 15.999 > 11 87 O 0.16417460261829 0.78285150702851 0.60056188658840 15.999 > 11 88 O 0.66417460261829 0.78285150702851 0.60056188658840 15.999 > 11 89 O 0.03285150702851 0.08582539738171 0.35056188658840 15.999 > 12 90 O 0.53285150702851 0.08582539738171 0.35056188658840 15.999 > 12 91 O 0.03285150702851 0.58582539738171 0.35056188658840 15.999 > 12 92 O 0.53285150702851 0.58582539738171 0.35056188658840 15.999 > 12 93 O 0.03285150702851 0.08582539738171 0.85056188658840 15.999 > 12 94 O 0.53285150702851 0.08582539738171 0.85056188658840 15.999 > 12 95 O 0.03285150702851 0.58582539738171 0.85056188658840 15.999 > 12 96 O 0.53285150702851 0.58582539738171 0.85056188658840 15.999 > 12 97 O 0.28285150702851 0.33582539738171 0.39943811341160 15.999 > 13 98 O 0.78285150702851 0.33582539738171 0.39943811341160 15.999 > 13 99 O 0.28285150702851 0.83582539738171 0.39943811341160 15.999 > 13 100 O 0.78285150702851 0.83582539738171 0.39943811341160 15.999 > 13 101 O 0.28285150702851 0.33582539738171 0.89943811341160 15.999 > 13 102 O 0.78285150702851 0.33582539738171 0.89943811341160 15.999 > 13 103 O 0.28285150702851 0.83582539738171 0.89943811341160 15.999 > 13 104 O 0.78285150702851 0.83582539738171 0.89943811341160 15.999 > 13 105 O 0.08582539738171 0.46714849297149 0.14943811341160 15.999 > 14 106 O 0.58582539738171 0.46714849297149 0.14943811341160 15.999 > 14 107 O 0.08582539738171 0.96714849297149 0.14943811341160 15.999 > 14 108 O 0.58582539738171 0.96714849297149 0.14943811341160 15.999 > 14 109 O 0.08582539738171 0.46714849297149 0.64943811341160 15.999 > 14 110 O 0.58582539738171 0.46714849297149 0.64943811341160 15.999 > 14 111 O 0.08582539738171 0.96714849297149 0.64943811341160 15.999 > 14 112 O 0.58582539738171 0.96714849297149 0.64943811341160 15.999 > 14 113 O 0.46714849297149 0.41417460261829 0.35056188658840 15.999 > 15 114 O 0.96714849297149 0.41417460261829 0.35056188658840 15.999 > 15 115 O 0.46714849297149 0.91417460261829 0.35056188658840 15.999 > 15 116 O 0.96714849297149 0.91417460261829 0.35056188658840 15.999 > 15 117 O 0.46714849297149 0.41417460261829 0.85056188658840 15.999 > 15 118 O 0.96714849297149 0.41417460261829 0.85056188658840 15.999 > 15 119 O 0.46714849297149 0.91417460261829 0.85056188658840 15.999 > 15 120 O 0.96714849297149 0.91417460261829 0.85056188658840 15.999 > 15 121 O 0.33582539738171 0.21714849297149 0.10056188658840 15.999 > 16 122 O 0.83582539738171 0.21714849297149 0.10056188658840 15.999 > 16 123 O 0.33582539738171 0.71714849297149 0.10056188658840 15.999 > 16 124 O 0.83582539738171 0.71714849297149 0.10056188658840 15.999 > 16 125 O 0.33582539738171 0.21714849297149 0.60056188658840 15.999 > 16 126 O 0.83582539738171 0.21714849297149 0.60056188658840 15.999 > 16 127 O 0.33582539738171 0.71714849297149 0.60056188658840 15.999 > 16 128 O 0.83582539738171 0.71714849297149 0.60056188658840 15.999 > 16 129 O 0.21714849297149 0.16417460261829 0.39943811341160 15.999 > 17 130 O 0.71714849297149 0.16417460261829 0.39943811341160 15.999 > 17 131 O 0.21714849297149 0.66417460261829 0.39943811341160 15.999 > 17 132 O 0.71714849297149 0.66417460261829 0.39943811341160 15.999 > 17 133 O 0.21714849297149 0.16417460261829 0.89943811341160 15.999 > 17 134 O 0.71714849297149 0.16417460261829 0.89943811341160 15.999 > 17 135 O 0.21714849297149 0.66417460261829 0.89943811341160 15.999 > 17 136 O 0.71714849297149 0.66417460261829 0.89943811341160 15.999 > 17 137 O 0.41417460261829 0.03285150702851 0.14943811341160 15.999 > 18 138 O 0.91417460261829 0.03285150702851 0.14943811341160 15.999 > 18 139 O 0.41417460261829 0.53285150702851 0.14943811341160 15.999 > 18 140 O 0.91417460261829 0.53285150702851 0.14943811341160 15.999 > 18 141 O 0.41417460261829 0.03285150702851 0.64943811341160 15.999 > 18 142 O 0.91417460261829 0.03285150702851 0.64943811341160 15.999 > 18 143 O 0.41417460261829 0.53285150702851 0.64943811341160 15.999 > 18 144 O 0.91417460261829 0.53285150702851 0.64943811341160 15.999 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.5005782 -0.0000034 0.0000000 0.0000034 6.5005782 0.0000000 0.0000000 0.0000000 6.4833007 -------------------------- Born effective charges -------------------------- 1 Si 3.8526658 -0.8890992 0.0000000 0.8890992 3.8526658 0.0000000 -0.0000000 0.0000000 2.2736123 2 Si 3.8526658 -0.8890992 0.0000000 0.8890992 3.8526658 0.0000000 -0.0000000 0.0000000 2.2736123 3 Ag 1.1211018 -0.1611423 -0.4164900 -0.1268141 1.1673519 0.1243260 -0.4312357 0.0414587 1.1564325 4 Ag 1.1211018 -0.1611423 0.4164900 -0.1268141 1.1673519 -0.1243260 0.4312357 -0.0414587 1.1564325 5 Ag 1.1211018 -0.1611423 -0.4164900 -0.1268141 1.1673519 0.1243260 -0.4312357 0.0414587 1.1564325 6 Ag 1.1673519 0.1268141 -0.1243260 0.1611423 1.1211018 -0.4164900 -0.0414587 -0.4312357 1.1564325 7 Ag 1.1673519 0.1268141 0.1243260 0.1611423 1.1211018 0.4164900 0.0414587 0.4312357 1.1564325 8 Ag 1.1673519 0.1268141 -0.1243260 0.1611423 1.1211018 -0.4164900 -0.0414587 -0.4312357 1.1564325 9 Ag 1.1211018 -0.1611423 0.4164900 -0.1268141 1.1673519 -0.1243260 0.4312357 -0.0414587 1.1564325 10 Ag 1.1673519 0.1268141 0.1243260 0.1611423 1.1211018 0.4164900 0.0414587 0.4312357 1.1564325 11 O -2.6245169 0.2759719 0.6414279 -0.2029060 -1.5902697 -0.2827587 0.2232662 -0.2076789 -1.7248356 12 O -1.5902697 0.2029060 -0.2827587 -0.2759719 -2.6245169 -0.6414279 -0.2076789 -0.2232662 -1.7248356 13 O -1.5902697 0.2029060 0.2827587 -0.2759719 -2.6245169 0.6414279 0.2076789 0.2232662 -1.7248356 14 O -2.6245169 0.2759719 0.6414279 -0.2029060 -1.5902697 -0.2827587 0.2232662 -0.2076789 -1.7248356 15 O -1.5902697 0.2029060 0.2827587 -0.2759719 -2.6245169 0.6414279 0.2076789 0.2232662 -1.7248356 16 O -2.6245169 0.2759719 -0.6414279 -0.2029060 -1.5902697 0.2827587 -0.2232662 0.2076789 -1.7248356 17 O -1.5902697 0.2029060 -0.2827587 -0.2759719 -2.6245169 -0.6414279 -0.2076789 -0.2232662 -1.7248356 18 O -2.6245169 0.2759719 -0.6414279 -0.2029060 -1.5902697 0.2827587 -0.2232662 0.2076789 -1.7248356 ---------------------------------------------------------------------------- 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: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1540 Number of blocks in projector: 1540 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 136 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 4 --- Block_size: 380 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1540, 1520), data: False |-- (192, 189), data: True |-- (324, 320), data: True |-- (380, 375), data: True |-- (644, 636), data: False |-- (644, 8), data: (644, 16) @ (16, 8) |-- (144, 136), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 320 - Time: 2.807 Solver_block: 200 / 320 - Time: 2.880 Solver_block: 300 / 320 - Time: 2.912 Solver_block: 320 / 320 - Time: 0.669 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.305 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1540 Number of blocks in projector: 1540 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 136 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 4 --- Block_size: 380 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1540, 1520), data: False |-- (192, 189), data: True |-- (324, 320), data: True |-- (380, 375), data: True |-- (644, 636), data: False |-- (644, 8), data: (644, 16) @ (16, 8) |-- (144, 136), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) 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 12:27:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:27:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/n (86) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.401177830000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.401177830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.625665410000000 Atomic positions (fractional): 1 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 2 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 3 Ag 0.89053773759109 0.32874882686145 0.95622801696546 107.868 4 Ag 0.39053773759109 0.82874882686145 0.54377198303454 107.868 5 Ag 0.60946226240891 0.17125117313855 0.54377198303454 107.868 6 Ag 0.17125117313855 0.39053773759109 0.45622801696546 107.868 7 Ag 0.82874882686145 0.60946226240891 0.45622801696546 107.868 8 Ag 0.32874882686145 0.10946226240891 0.04377198303454 107.868 9 Ag 0.10946226240891 0.67125117313855 0.95622801696546 107.868 10 Ag 0.67125117313855 0.89053773759109 0.04377198303454 107.868 11 O 0.32834920523657 0.56570301405703 0.20112377317681 15.999 12 O 0.06570301405703 0.17165079476343 0.70112377317681 15.999 13 O 0.56570301405703 0.67165079476343 0.79887622682319 15.999 14 O 0.17165079476343 0.93429698594297 0.29887622682319 15.999 15 O 0.93429698594297 0.82834920523657 0.70112377317681 15.999 16 O 0.67165079476343 0.43429698594297 0.20112377317681 15.999 17 O 0.43429698594297 0.32834920523657 0.79887622682319 15.999 18 O 0.82834920523657 0.06570301405703 0.29887622682319 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.802355660000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.802355660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.251330820000000 Atomic positions (fractional): 1 Si 0.00000000000000 0.00000000000000 0.25000000000000 28.085 > 1 2 Si 0.50000000000000 0.00000000000000 0.25000000000000 28.085 > 1 3 Si 0.00000000000000 0.50000000000000 0.25000000000000 28.085 > 1 4 Si 0.50000000000000 0.50000000000000 0.25000000000000 28.085 > 1 5 Si 0.00000000000000 0.00000000000000 0.75000000000000 28.085 > 1 6 Si 0.50000000000000 0.00000000000000 0.75000000000000 28.085 > 1 7 Si 0.00000000000000 0.50000000000000 0.75000000000000 28.085 > 1 8 Si 0.50000000000000 0.50000000000000 0.75000000000000 28.085 > 1 9 Si 0.25000000000000 0.25000000000000 0.00000000000000 28.085 > 9 10 Si 0.75000000000000 0.25000000000000 0.00000000000000 28.085 > 9 11 Si 0.25000000000000 0.75000000000000 0.00000000000000 28.085 > 9 12 Si 0.75000000000000 0.75000000000000 0.00000000000000 28.085 > 9 13 Si 0.25000000000000 0.25000000000000 0.50000000000000 28.085 > 9 14 Si 0.75000000000000 0.25000000000000 0.50000000000000 28.085 > 9 15 Si 0.25000000000000 0.75000000000000 0.50000000000000 28.085 > 9 16 Si 0.75000000000000 0.75000000000000 0.50000000000000 28.085 > 9 17 Ag 0.44526886879555 0.16437441343072 0.47811400848273 107.868 > 17 18 Ag 0.94526886879555 0.16437441343072 0.47811400848273 107.868 > 17 19 Ag 0.44526886879555 0.66437441343072 0.47811400848273 107.868 > 17 20 Ag 0.94526886879555 0.66437441343072 0.47811400848273 107.868 > 17 21 Ag 0.44526886879555 0.16437441343072 0.97811400848273 107.868 > 17 22 Ag 0.94526886879555 0.16437441343072 0.97811400848273 107.868 > 17 23 Ag 0.44526886879555 0.66437441343072 0.97811400848273 107.868 > 17 24 Ag 0.94526886879555 0.66437441343072 0.97811400848273 107.868 > 17 25 Ag 0.19526886879555 0.41437441343072 0.27188599151727 107.868 > 25 26 Ag 0.69526886879555 0.41437441343072 0.27188599151727 107.868 > 25 27 Ag 0.19526886879555 0.91437441343072 0.27188599151727 107.868 > 25 28 Ag 0.69526886879555 0.91437441343072 0.27188599151727 107.868 > 25 29 Ag 0.19526886879555 0.41437441343072 0.77188599151727 107.868 > 25 30 Ag 0.69526886879555 0.41437441343072 0.77188599151727 107.868 > 25 31 Ag 0.19526886879555 0.91437441343072 0.77188599151727 107.868 > 25 32 Ag 0.69526886879555 0.91437441343072 0.77188599151727 107.868 > 25 33 Ag 0.30473113120445 0.08562558656928 0.27188599151727 107.868 > 33 34 Ag 0.80473113120445 0.08562558656928 0.27188599151727 107.868 > 33 35 Ag 0.30473113120445 0.58562558656928 0.27188599151727 107.868 > 33 36 Ag 0.80473113120445 0.58562558656928 0.27188599151727 107.868 > 33 37 Ag 0.30473113120445 0.08562558656928 0.77188599151727 107.868 > 33 38 Ag 0.80473113120445 0.08562558656928 0.77188599151727 107.868 > 33 39 Ag 0.30473113120445 0.58562558656928 0.77188599151727 107.868 > 33 40 Ag 0.80473113120445 0.58562558656928 0.77188599151727 107.868 > 33 41 Ag 0.08562558656928 0.19526886879555 0.22811400848273 107.868 > 41 42 Ag 0.58562558656928 0.19526886879555 0.22811400848273 107.868 > 41 43 Ag 0.08562558656928 0.69526886879555 0.22811400848273 107.868 > 41 44 Ag 0.58562558656928 0.69526886879555 0.22811400848273 107.868 > 41 45 Ag 0.08562558656928 0.19526886879555 0.72811400848273 107.868 > 41 46 Ag 0.58562558656928 0.19526886879555 0.72811400848273 107.868 > 41 47 Ag 0.08562558656928 0.69526886879555 0.72811400848273 107.868 > 41 48 Ag 0.58562558656928 0.69526886879555 0.72811400848273 107.868 > 41 49 Ag 0.41437441343072 0.30473113120445 0.22811400848273 107.868 > 49 50 Ag 0.91437441343072 0.30473113120445 0.22811400848273 107.868 > 49 51 Ag 0.41437441343072 0.80473113120445 0.22811400848273 107.868 > 49 52 Ag 0.91437441343072 0.80473113120445 0.22811400848273 107.868 > 49 53 Ag 0.41437441343072 0.30473113120445 0.72811400848273 107.868 > 49 54 Ag 0.91437441343072 0.30473113120445 0.72811400848273 107.868 > 49 55 Ag 0.41437441343072 0.80473113120445 0.72811400848273 107.868 > 49 56 Ag 0.91437441343072 0.80473113120445 0.72811400848273 107.868 > 49 57 Ag 0.16437441343072 0.05473113120445 0.02188599151727 107.868 > 57 58 Ag 0.66437441343072 0.05473113120445 0.02188599151727 107.868 > 57 59 Ag 0.16437441343072 0.55473113120445 0.02188599151727 107.868 > 57 60 Ag 0.66437441343072 0.55473113120445 0.02188599151727 107.868 > 57 61 Ag 0.16437441343072 0.05473113120445 0.52188599151727 107.868 > 57 62 Ag 0.66437441343072 0.05473113120445 0.52188599151727 107.868 > 57 63 Ag 0.16437441343072 0.55473113120445 0.52188599151727 107.868 > 57 64 Ag 0.66437441343072 0.55473113120445 0.52188599151727 107.868 > 57 65 Ag 0.05473113120445 0.33562558656928 0.47811400848273 107.868 > 65 66 Ag 0.55473113120445 0.33562558656928 0.47811400848273 107.868 > 65 67 Ag 0.05473113120445 0.83562558656928 0.47811400848273 107.868 > 65 68 Ag 0.55473113120445 0.83562558656928 0.47811400848273 107.868 > 65 69 Ag 0.05473113120445 0.33562558656928 0.97811400848273 107.868 > 65 70 Ag 0.55473113120445 0.33562558656928 0.97811400848273 107.868 > 65 71 Ag 0.05473113120445 0.83562558656928 0.97811400848273 107.868 > 65 72 Ag 0.55473113120445 0.83562558656928 0.97811400848273 107.868 > 65 73 Ag 0.33562558656928 0.44526886879555 0.02188599151727 107.868 > 73 74 Ag 0.83562558656928 0.44526886879555 0.02188599151727 107.868 > 73 75 Ag 0.33562558656928 0.94526886879555 0.02188599151727 107.868 > 73 76 Ag 0.83562558656928 0.94526886879555 0.02188599151727 107.868 > 73 77 Ag 0.33562558656928 0.44526886879555 0.52188599151727 107.868 > 73 78 Ag 0.83562558656928 0.44526886879555 0.52188599151727 107.868 > 73 79 Ag 0.33562558656928 0.94526886879555 0.52188599151727 107.868 > 73 80 Ag 0.83562558656928 0.94526886879555 0.52188599151727 107.868 > 73 81 O 0.16417460261829 0.28285150702851 0.10056188658840 15.999 > 81 82 O 0.66417460261829 0.28285150702851 0.10056188658840 15.999 > 81 83 O 0.16417460261829 0.78285150702851 0.10056188658840 15.999 > 81 84 O 0.66417460261829 0.78285150702851 0.10056188658840 15.999 > 81 85 O 0.16417460261829 0.28285150702851 0.60056188658840 15.999 > 81 86 O 0.66417460261829 0.28285150702851 0.60056188658840 15.999 > 81 87 O 0.16417460261829 0.78285150702851 0.60056188658840 15.999 > 81 88 O 0.66417460261829 0.78285150702851 0.60056188658840 15.999 > 81 89 O 0.03285150702851 0.08582539738171 0.35056188658840 15.999 > 89 90 O 0.53285150702851 0.08582539738171 0.35056188658840 15.999 > 89 91 O 0.03285150702851 0.58582539738171 0.35056188658840 15.999 > 89 92 O 0.53285150702851 0.58582539738171 0.35056188658840 15.999 > 89 93 O 0.03285150702851 0.08582539738171 0.85056188658840 15.999 > 89 94 O 0.53285150702851 0.08582539738171 0.85056188658840 15.999 > 89 95 O 0.03285150702851 0.58582539738171 0.85056188658840 15.999 > 89 96 O 0.53285150702851 0.58582539738171 0.85056188658840 15.999 > 89 97 O 0.28285150702851 0.33582539738171 0.39943811341160 15.999 > 97 98 O 0.78285150702851 0.33582539738171 0.39943811341160 15.999 > 97 99 O 0.28285150702851 0.83582539738171 0.39943811341160 15.999 > 97 100 O 0.78285150702851 0.83582539738171 0.39943811341160 15.999 > 97 101 O 0.28285150702851 0.33582539738171 0.89943811341160 15.999 > 97 102 O 0.78285150702851 0.33582539738171 0.89943811341160 15.999 > 97 103 O 0.28285150702851 0.83582539738171 0.89943811341160 15.999 > 97 104 O 0.78285150702851 0.83582539738171 0.89943811341160 15.999 > 97 105 O 0.08582539738171 0.46714849297149 0.14943811341160 15.999 > 105 106 O 0.58582539738171 0.46714849297149 0.14943811341160 15.999 > 105 107 O 0.08582539738171 0.96714849297149 0.14943811341160 15.999 > 105 108 O 0.58582539738171 0.96714849297149 0.14943811341160 15.999 > 105 109 O 0.08582539738171 0.46714849297149 0.64943811341160 15.999 > 105 110 O 0.58582539738171 0.46714849297149 0.64943811341160 15.999 > 105 111 O 0.08582539738171 0.96714849297149 0.64943811341160 15.999 > 105 112 O 0.58582539738171 0.96714849297149 0.64943811341160 15.999 > 105 113 O 0.46714849297149 0.41417460261829 0.35056188658840 15.999 > 113 114 O 0.96714849297149 0.41417460261829 0.35056188658840 15.999 > 113 115 O 0.46714849297149 0.91417460261829 0.35056188658840 15.999 > 113 116 O 0.96714849297149 0.91417460261829 0.35056188658840 15.999 > 113 117 O 0.46714849297149 0.41417460261829 0.85056188658840 15.999 > 113 118 O 0.96714849297149 0.41417460261829 0.85056188658840 15.999 > 113 119 O 0.46714849297149 0.91417460261829 0.85056188658840 15.999 > 113 120 O 0.96714849297149 0.91417460261829 0.85056188658840 15.999 > 113 121 O 0.33582539738171 0.21714849297149 0.10056188658840 15.999 > 121 122 O 0.83582539738171 0.21714849297149 0.10056188658840 15.999 > 121 123 O 0.33582539738171 0.71714849297149 0.10056188658840 15.999 > 121 124 O 0.83582539738171 0.71714849297149 0.10056188658840 15.999 > 121 125 O 0.33582539738171 0.21714849297149 0.60056188658840 15.999 > 121 126 O 0.83582539738171 0.21714849297149 0.60056188658840 15.999 > 121 127 O 0.33582539738171 0.71714849297149 0.60056188658840 15.999 > 121 128 O 0.83582539738171 0.71714849297149 0.60056188658840 15.999 > 121 129 O 0.21714849297149 0.16417460261829 0.39943811341160 15.999 > 129 130 O 0.71714849297149 0.16417460261829 0.39943811341160 15.999 > 129 131 O 0.21714849297149 0.66417460261829 0.39943811341160 15.999 > 129 132 O 0.71714849297149 0.66417460261829 0.39943811341160 15.999 > 129 133 O 0.21714849297149 0.16417460261829 0.89943811341160 15.999 > 129 134 O 0.71714849297149 0.16417460261829 0.89943811341160 15.999 > 129 135 O 0.21714849297149 0.66417460261829 0.89943811341160 15.999 > 129 136 O 0.71714849297149 0.66417460261829 0.89943811341160 15.999 > 129 137 O 0.41417460261829 0.03285150702851 0.14943811341160 15.999 > 137 138 O 0.91417460261829 0.03285150702851 0.14943811341160 15.999 > 137 139 O 0.41417460261829 0.53285150702851 0.14943811341160 15.999 > 137 140 O 0.91417460261829 0.53285150702851 0.14943811341160 15.999 > 137 141 O 0.41417460261829 0.03285150702851 0.64943811341160 15.999 > 137 142 O 0.91417460261829 0.03285150702851 0.64943811341160 15.999 > 137 143 O 0.41417460261829 0.53285150702851 0.64943811341160 15.999 > 137 144 O 0.91417460261829 0.53285150702851 0.64943811341160 15.999 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.5005782 -0.0000034 0.0000000 0.0000034 6.5005782 0.0000000 0.0000000 0.0000000 6.4833007 -------------------------- Born effective charges -------------------------- 1 Si 3.8526658 -0.8890992 0.0000000 0.8890992 3.8526658 0.0000000 -0.0000000 0.0000000 2.2736123 2 Si 3.8526658 -0.8890992 0.0000000 0.8890992 3.8526658 0.0000000 -0.0000000 0.0000000 2.2736123 3 Ag 1.1211018 -0.1611423 -0.4164900 -0.1268141 1.1673519 0.1243260 -0.4312357 0.0414587 1.1564325 4 Ag 1.1211018 -0.1611423 0.4164900 -0.1268141 1.1673519 -0.1243260 0.4312357 -0.0414587 1.1564325 5 Ag 1.1211018 -0.1611423 -0.4164900 -0.1268141 1.1673519 0.1243260 -0.4312357 0.0414587 1.1564325 6 Ag 1.1673519 0.1268141 -0.1243260 0.1611423 1.1211018 -0.4164900 -0.0414587 -0.4312357 1.1564325 7 Ag 1.1673519 0.1268141 0.1243260 0.1611423 1.1211018 0.4164900 0.0414587 0.4312357 1.1564325 8 Ag 1.1673519 0.1268141 -0.1243260 0.1611423 1.1211018 -0.4164900 -0.0414587 -0.4312357 1.1564325 9 Ag 1.1211018 -0.1611423 0.4164900 -0.1268141 1.1673519 -0.1243260 0.4312357 -0.0414587 1.1564325 10 Ag 1.1673519 0.1268141 0.1243260 0.1611423 1.1211018 0.4164900 0.0414587 0.4312357 1.1564325 11 O -2.6245169 0.2759719 0.6414279 -0.2029060 -1.5902697 -0.2827587 0.2232662 -0.2076789 -1.7248356 12 O -1.5902697 0.2029060 -0.2827587 -0.2759719 -2.6245169 -0.6414279 -0.2076789 -0.2232662 -1.7248356 13 O -1.5902697 0.2029060 0.2827587 -0.2759719 -2.6245169 0.6414279 0.2076789 0.2232662 -1.7248356 14 O -2.6245169 0.2759719 0.6414279 -0.2029060 -1.5902697 -0.2827587 0.2232662 -0.2076789 -1.7248356 15 O -1.5902697 0.2029060 0.2827587 -0.2759719 -2.6245169 0.6414279 0.2076789 0.2232662 -1.7248356 16 O -2.6245169 0.2759719 -0.6414279 -0.2029060 -1.5902697 0.2827587 -0.2232662 0.2076789 -1.7248356 17 O -1.5902697 0.2029060 -0.2827587 -0.2759719 -2.6245169 -0.6414279 -0.2076789 -0.2232662 -1.7248356 18 O -2.6245169 0.2759719 -0.6414279 -0.2029060 -1.5902697 0.2827587 -0.2232662 0.2076789 -1.7248356 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: -0.00000008 (yzy) -0.00000008 (yzy) -0.00000008 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000010 (yx) 0.00000010 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:27:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:27:21]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/n (86) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.401177830000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.401177830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.625665410000000 Atomic positions (fractional): 1 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 2 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 3 Ag 0.89053773759109 0.32874882686145 0.95622801696546 107.868 4 Ag 0.39053773759109 0.82874882686145 0.54377198303454 107.868 5 Ag 0.60946226240891 0.17125117313855 0.54377198303454 107.868 6 Ag 0.17125117313855 0.39053773759109 0.45622801696546 107.868 7 Ag 0.82874882686145 0.60946226240891 0.45622801696546 107.868 8 Ag 0.32874882686145 0.10946226240891 0.04377198303454 107.868 9 Ag 0.10946226240891 0.67125117313855 0.95622801696546 107.868 10 Ag 0.67125117313855 0.89053773759109 0.04377198303454 107.868 11 O 0.32834920523657 0.56570301405703 0.20112377317681 15.999 12 O 0.06570301405703 0.17165079476343 0.70112377317681 15.999 13 O 0.56570301405703 0.67165079476343 0.79887622682319 15.999 14 O 0.17165079476343 0.93429698594297 0.29887622682319 15.999 15 O 0.93429698594297 0.82834920523657 0.70112377317681 15.999 16 O 0.67165079476343 0.43429698594297 0.20112377317681 15.999 17 O 0.43429698594297 0.32834920523657 0.79887622682319 15.999 18 O 0.82834920523657 0.06570301405703 0.29887622682319 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.802355660000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.802355660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.251330820000000 Atomic positions (fractional): 1 Si 0.00000000000000 0.00000000000000 0.25000000000000 28.085 > 1 2 Si 0.50000000000000 0.00000000000000 0.25000000000000 28.085 > 1 3 Si 0.00000000000000 0.50000000000000 0.25000000000000 28.085 > 1 4 Si 0.50000000000000 0.50000000000000 0.25000000000000 28.085 > 1 5 Si 0.00000000000000 0.00000000000000 0.75000000000000 28.085 > 1 6 Si 0.50000000000000 0.00000000000000 0.75000000000000 28.085 > 1 7 Si 0.00000000000000 0.50000000000000 0.75000000000000 28.085 > 1 8 Si 0.50000000000000 0.50000000000000 0.75000000000000 28.085 > 1 9 Si 0.25000000000000 0.25000000000000 0.00000000000000 28.085 > 9 10 Si 0.75000000000000 0.25000000000000 0.00000000000000 28.085 > 9 11 Si 0.25000000000000 0.75000000000000 0.00000000000000 28.085 > 9 12 Si 0.75000000000000 0.75000000000000 0.00000000000000 28.085 > 9 13 Si 0.25000000000000 0.25000000000000 0.50000000000000 28.085 > 9 14 Si 0.75000000000000 0.25000000000000 0.50000000000000 28.085 > 9 15 Si 0.25000000000000 0.75000000000000 0.50000000000000 28.085 > 9 16 Si 0.75000000000000 0.75000000000000 0.50000000000000 28.085 > 9 17 Ag 0.44526886879555 0.16437441343072 0.47811400848273 107.868 > 17 18 Ag 0.94526886879555 0.16437441343072 0.47811400848273 107.868 > 17 19 Ag 0.44526886879555 0.66437441343072 0.47811400848273 107.868 > 17 20 Ag 0.94526886879555 0.66437441343072 0.47811400848273 107.868 > 17 21 Ag 0.44526886879555 0.16437441343072 0.97811400848273 107.868 > 17 22 Ag 0.94526886879555 0.16437441343072 0.97811400848273 107.868 > 17 23 Ag 0.44526886879555 0.66437441343072 0.97811400848273 107.868 > 17 24 Ag 0.94526886879555 0.66437441343072 0.97811400848273 107.868 > 17 25 Ag 0.19526886879555 0.41437441343072 0.27188599151727 107.868 > 25 26 Ag 0.69526886879555 0.41437441343072 0.27188599151727 107.868 > 25 27 Ag 0.19526886879555 0.91437441343072 0.27188599151727 107.868 > 25 28 Ag 0.69526886879555 0.91437441343072 0.27188599151727 107.868 > 25 29 Ag 0.19526886879555 0.41437441343072 0.77188599151727 107.868 > 25 30 Ag 0.69526886879555 0.41437441343072 0.77188599151727 107.868 > 25 31 Ag 0.19526886879555 0.91437441343072 0.77188599151727 107.868 > 25 32 Ag 0.69526886879555 0.91437441343072 0.77188599151727 107.868 > 25 33 Ag 0.30473113120445 0.08562558656928 0.27188599151727 107.868 > 33 34 Ag 0.80473113120445 0.08562558656928 0.27188599151727 107.868 > 33 35 Ag 0.30473113120445 0.58562558656928 0.27188599151727 107.868 > 33 36 Ag 0.80473113120445 0.58562558656928 0.27188599151727 107.868 > 33 37 Ag 0.30473113120445 0.08562558656928 0.77188599151727 107.868 > 33 38 Ag 0.80473113120445 0.08562558656928 0.77188599151727 107.868 > 33 39 Ag 0.30473113120445 0.58562558656928 0.77188599151727 107.868 > 33 40 Ag 0.80473113120445 0.58562558656928 0.77188599151727 107.868 > 33 41 Ag 0.08562558656928 0.19526886879555 0.22811400848273 107.868 > 41 42 Ag 0.58562558656928 0.19526886879555 0.22811400848273 107.868 > 41 43 Ag 0.08562558656928 0.69526886879555 0.22811400848273 107.868 > 41 44 Ag 0.58562558656928 0.69526886879555 0.22811400848273 107.868 > 41 45 Ag 0.08562558656928 0.19526886879555 0.72811400848273 107.868 > 41 46 Ag 0.58562558656928 0.19526886879555 0.72811400848273 107.868 > 41 47 Ag 0.08562558656928 0.69526886879555 0.72811400848273 107.868 > 41 48 Ag 0.58562558656928 0.69526886879555 0.72811400848273 107.868 > 41 49 Ag 0.41437441343072 0.30473113120445 0.22811400848273 107.868 > 49 50 Ag 0.91437441343072 0.30473113120445 0.22811400848273 107.868 > 49 51 Ag 0.41437441343072 0.80473113120445 0.22811400848273 107.868 > 49 52 Ag 0.91437441343072 0.80473113120445 0.22811400848273 107.868 > 49 53 Ag 0.41437441343072 0.30473113120445 0.72811400848273 107.868 > 49 54 Ag 0.91437441343072 0.30473113120445 0.72811400848273 107.868 > 49 55 Ag 0.41437441343072 0.80473113120445 0.72811400848273 107.868 > 49 56 Ag 0.91437441343072 0.80473113120445 0.72811400848273 107.868 > 49 57 Ag 0.16437441343072 0.05473113120445 0.02188599151727 107.868 > 57 58 Ag 0.66437441343072 0.05473113120445 0.02188599151727 107.868 > 57 59 Ag 0.16437441343072 0.55473113120445 0.02188599151727 107.868 > 57 60 Ag 0.66437441343072 0.55473113120445 0.02188599151727 107.868 > 57 61 Ag 0.16437441343072 0.05473113120445 0.52188599151727 107.868 > 57 62 Ag 0.66437441343072 0.05473113120445 0.52188599151727 107.868 > 57 63 Ag 0.16437441343072 0.55473113120445 0.52188599151727 107.868 > 57 64 Ag 0.66437441343072 0.55473113120445 0.52188599151727 107.868 > 57 65 Ag 0.05473113120445 0.33562558656928 0.47811400848273 107.868 > 65 66 Ag 0.55473113120445 0.33562558656928 0.47811400848273 107.868 > 65 67 Ag 0.05473113120445 0.83562558656928 0.47811400848273 107.868 > 65 68 Ag 0.55473113120445 0.83562558656928 0.47811400848273 107.868 > 65 69 Ag 0.05473113120445 0.33562558656928 0.97811400848273 107.868 > 65 70 Ag 0.55473113120445 0.33562558656928 0.97811400848273 107.868 > 65 71 Ag 0.05473113120445 0.83562558656928 0.97811400848273 107.868 > 65 72 Ag 0.55473113120445 0.83562558656928 0.97811400848273 107.868 > 65 73 Ag 0.33562558656928 0.44526886879555 0.02188599151727 107.868 > 73 74 Ag 0.83562558656928 0.44526886879555 0.02188599151727 107.868 > 73 75 Ag 0.33562558656928 0.94526886879555 0.02188599151727 107.868 > 73 76 Ag 0.83562558656928 0.94526886879555 0.02188599151727 107.868 > 73 77 Ag 0.33562558656928 0.44526886879555 0.52188599151727 107.868 > 73 78 Ag 0.83562558656928 0.44526886879555 0.52188599151727 107.868 > 73 79 Ag 0.33562558656928 0.94526886879555 0.52188599151727 107.868 > 73 80 Ag 0.83562558656928 0.94526886879555 0.52188599151727 107.868 > 73 81 O 0.16417460261829 0.28285150702851 0.10056188658840 15.999 > 81 82 O 0.66417460261829 0.28285150702851 0.10056188658840 15.999 > 81 83 O 0.16417460261829 0.78285150702851 0.10056188658840 15.999 > 81 84 O 0.66417460261829 0.78285150702851 0.10056188658840 15.999 > 81 85 O 0.16417460261829 0.28285150702851 0.60056188658840 15.999 > 81 86 O 0.66417460261829 0.28285150702851 0.60056188658840 15.999 > 81 87 O 0.16417460261829 0.78285150702851 0.60056188658840 15.999 > 81 88 O 0.66417460261829 0.78285150702851 0.60056188658840 15.999 > 81 89 O 0.03285150702851 0.08582539738171 0.35056188658840 15.999 > 89 90 O 0.53285150702851 0.08582539738171 0.35056188658840 15.999 > 89 91 O 0.03285150702851 0.58582539738171 0.35056188658840 15.999 > 89 92 O 0.53285150702851 0.58582539738171 0.35056188658840 15.999 > 89 93 O 0.03285150702851 0.08582539738171 0.85056188658840 15.999 > 89 94 O 0.53285150702851 0.08582539738171 0.85056188658840 15.999 > 89 95 O 0.03285150702851 0.58582539738171 0.85056188658840 15.999 > 89 96 O 0.53285150702851 0.58582539738171 0.85056188658840 15.999 > 89 97 O 0.28285150702851 0.33582539738171 0.39943811341160 15.999 > 97 98 O 0.78285150702851 0.33582539738171 0.39943811341160 15.999 > 97 99 O 0.28285150702851 0.83582539738171 0.39943811341160 15.999 > 97 100 O 0.78285150702851 0.83582539738171 0.39943811341160 15.999 > 97 101 O 0.28285150702851 0.33582539738171 0.89943811341160 15.999 > 97 102 O 0.78285150702851 0.33582539738171 0.89943811341160 15.999 > 97 103 O 0.28285150702851 0.83582539738171 0.89943811341160 15.999 > 97 104 O 0.78285150702851 0.83582539738171 0.89943811341160 15.999 > 97 105 O 0.08582539738171 0.46714849297149 0.14943811341160 15.999 > 105 106 O 0.58582539738171 0.46714849297149 0.14943811341160 15.999 > 105 107 O 0.08582539738171 0.96714849297149 0.14943811341160 15.999 > 105 108 O 0.58582539738171 0.96714849297149 0.14943811341160 15.999 > 105 109 O 0.08582539738171 0.46714849297149 0.64943811341160 15.999 > 105 110 O 0.58582539738171 0.46714849297149 0.64943811341160 15.999 > 105 111 O 0.08582539738171 0.96714849297149 0.64943811341160 15.999 > 105 112 O 0.58582539738171 0.96714849297149 0.64943811341160 15.999 > 105 113 O 0.46714849297149 0.41417460261829 0.35056188658840 15.999 > 113 114 O 0.96714849297149 0.41417460261829 0.35056188658840 15.999 > 113 115 O 0.46714849297149 0.91417460261829 0.35056188658840 15.999 > 113 116 O 0.96714849297149 0.91417460261829 0.35056188658840 15.999 > 113 117 O 0.46714849297149 0.41417460261829 0.85056188658840 15.999 > 113 118 O 0.96714849297149 0.41417460261829 0.85056188658840 15.999 > 113 119 O 0.46714849297149 0.91417460261829 0.85056188658840 15.999 > 113 120 O 0.96714849297149 0.91417460261829 0.85056188658840 15.999 > 113 121 O 0.33582539738171 0.21714849297149 0.10056188658840 15.999 > 121 122 O 0.83582539738171 0.21714849297149 0.10056188658840 15.999 > 121 123 O 0.33582539738171 0.71714849297149 0.10056188658840 15.999 > 121 124 O 0.83582539738171 0.71714849297149 0.10056188658840 15.999 > 121 125 O 0.33582539738171 0.21714849297149 0.60056188658840 15.999 > 121 126 O 0.83582539738171 0.21714849297149 0.60056188658840 15.999 > 121 127 O 0.33582539738171 0.71714849297149 0.60056188658840 15.999 > 121 128 O 0.83582539738171 0.71714849297149 0.60056188658840 15.999 > 121 129 O 0.21714849297149 0.16417460261829 0.39943811341160 15.999 > 129 130 O 0.71714849297149 0.16417460261829 0.39943811341160 15.999 > 129 131 O 0.21714849297149 0.66417460261829 0.39943811341160 15.999 > 129 132 O 0.71714849297149 0.66417460261829 0.39943811341160 15.999 > 129 133 O 0.21714849297149 0.16417460261829 0.89943811341160 15.999 > 129 134 O 0.71714849297149 0.16417460261829 0.89943811341160 15.999 > 129 135 O 0.21714849297149 0.66417460261829 0.89943811341160 15.999 > 129 136 O 0.71714849297149 0.66417460261829 0.89943811341160 15.999 > 129 137 O 0.41417460261829 0.03285150702851 0.14943811341160 15.999 > 137 138 O 0.91417460261829 0.03285150702851 0.14943811341160 15.999 > 137 139 O 0.41417460261829 0.53285150702851 0.14943811341160 15.999 > 137 140 O 0.91417460261829 0.53285150702851 0.14943811341160 15.999 > 137 141 O 0.41417460261829 0.03285150702851 0.64943811341160 15.999 > 137 142 O 0.91417460261829 0.03285150702851 0.64943811341160 15.999 > 137 143 O 0.41417460261829 0.53285150702851 0.64943811341160 15.999 > 137 144 O 0.91417460261829 0.53285150702851 0.64943811341160 15.999 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.5005782 -0.0000034 0.0000000 0.0000034 6.5005782 0.0000000 0.0000000 0.0000000 6.4833007 -------------------------- Born effective charges -------------------------- 1 Si 3.8526658 -0.8890992 0.0000000 0.8890992 3.8526658 0.0000000 -0.0000000 0.0000000 2.2736123 2 Si 3.8526658 -0.8890992 0.0000000 0.8890992 3.8526658 0.0000000 -0.0000000 0.0000000 2.2736123 3 Ag 1.1211018 -0.1611423 -0.4164900 -0.1268141 1.1673519 0.1243260 -0.4312357 0.0414587 1.1564325 4 Ag 1.1211018 -0.1611423 0.4164900 -0.1268141 1.1673519 -0.1243260 0.4312357 -0.0414587 1.1564325 5 Ag 1.1211018 -0.1611423 -0.4164900 -0.1268141 1.1673519 0.1243260 -0.4312357 0.0414587 1.1564325 6 Ag 1.1673519 0.1268141 -0.1243260 0.1611423 1.1211018 -0.4164900 -0.0414587 -0.4312357 1.1564325 7 Ag 1.1673519 0.1268141 0.1243260 0.1611423 1.1211018 0.4164900 0.0414587 0.4312357 1.1564325 8 Ag 1.1673519 0.1268141 -0.1243260 0.1611423 1.1211018 -0.4164900 -0.0414587 -0.4312357 1.1564325 9 Ag 1.1211018 -0.1611423 0.4164900 -0.1268141 1.1673519 -0.1243260 0.4312357 -0.0414587 1.1564325 10 Ag 1.1673519 0.1268141 0.1243260 0.1611423 1.1211018 0.4164900 0.0414587 0.4312357 1.1564325 11 O -2.6245169 0.2759719 0.6414279 -0.2029060 -1.5902697 -0.2827587 0.2232662 -0.2076789 -1.7248356 12 O -1.5902697 0.2029060 -0.2827587 -0.2759719 -2.6245169 -0.6414279 -0.2076789 -0.2232662 -1.7248356 13 O -1.5902697 0.2029060 0.2827587 -0.2759719 -2.6245169 0.6414279 0.2076789 0.2232662 -1.7248356 14 O -2.6245169 0.2759719 0.6414279 -0.2029060 -1.5902697 -0.2827587 0.2232662 -0.2076789 -1.7248356 15 O -1.5902697 0.2029060 0.2827587 -0.2759719 -2.6245169 0.6414279 0.2076789 0.2232662 -1.7248356 16 O -2.6245169 0.2759719 -0.6414279 -0.2029060 -1.5902697 0.2827587 -0.2232662 0.2076789 -1.7248356 17 O -1.5902697 0.2029060 -0.2827587 -0.2759719 -2.6245169 -0.6414279 -0.2076789 -0.2232662 -1.7248356 18 O -2.6245169 0.2759719 -0.6414279 -0.2029060 -1.5902697 0.2827587 -0.2232662 0.2076789 -1.7248356 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000008 (yzy) -0.00000008 (yzy) -0.00000008 (yyz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 7 7 11 ] 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: 0.66, Number of G-points: 299, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/78) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.578 ( -0.000 0.000 0.000) 0.000 1.644 ( 0.000 0.000 -0.000) 0.000 1.644 ( 0.000 0.000 0.000) 0.000 1.808 ( 0.000 0.000 0.000) 0.000 1.808 ( 0.000 0.000 -0.000) 0.000 2.009 ( 0.000 0.000 0.000) 0.000 2.067 ( 0.000 0.000 0.000) 0.000 2.142 ( 0.000 0.000 0.000) 0.000 2.160 ( 0.000 0.000 0.000) 0.000 2.160 ( 0.000 -0.000 0.000) 0.000 2.292 ( 0.000 -0.000 -0.000) 0.000 2.292 ( 0.000 0.000 -0.000) 0.000 2.325 ( 0.000 0.000 0.000) 0.000 2.530 ( 0.000 0.000 0.000) 0.000 2.599 ( 0.000 0.000 0.000) 0.000 2.599 ( 0.000 0.000 -0.000) 0.000 2.631 ( -0.000 0.000 0.000) 0.000 2.852 ( 0.000 0.000 0.000) 0.000 2.994 ( 0.000 -0.000 0.000) 0.000 3.808 ( 0.000 0.000 0.000) 0.000 4.328 ( 0.000 0.000 0.000) 0.000 5.082 ( -0.000 0.000 0.000) 0.000 7.014 ( 0.000 0.000 0.000) 0.000 7.426 ( 0.000 0.000 0.000) 0.000 7.426 ( 0.000 0.000 0.000) 0.000 7.584 ( 0.000 0.000 -0.000) 0.000 7.584 ( 0.000 0.000 0.000) 0.000 8.422 ( 0.000 0.000 0.000) 0.000 9.132 ( 0.000 0.000 0.000) 0.000 10.203 ( -0.000 -0.000 -0.000) 0.000 10.203 ( -0.000 0.000 0.000) 0.000 10.455 ( 0.000 0.000 0.000) 0.000 10.455 ( 0.000 0.000 -0.000) 0.000 12.727 ( 0.000 0.000 0.000) 0.000 13.086 ( 0.000 -0.000 0.000) 0.000 13.695 ( 0.000 0.000 0.000) 0.000 14.249 ( -0.000 0.000 0.000) 0.000 14.340 ( 0.000 0.000 0.000) 0.000 14.340 ( 0.000 -0.000 -0.000) 0.000 14.505 ( 0.000 0.000 0.000) 0.000 14.783 ( 0.000 0.000 0.000) 0.000 14.918 ( -0.000 0.000 0.000) 0.000 14.918 ( -0.000 0.000 0.000) 0.000 24.076 ( 0.000 0.000 0.000) 0.000 24.239 ( 0.000 -0.000 0.000) 0.000 25.276 ( 0.000 0.000 0.000) 0.000 25.460 ( 0.000 0.000 0.000) 0.000 25.460 ( 0.000 0.000 -0.000) 0.000 25.460 ( 0.000 0.000 0.000) 0.000 25.892 ( 0.000 0.000 0.000) 0.000 25.892 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/78) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.307 ( 16.510 -0.163 0.000) 16.511 0.337 ( 17.119 -1.159 0.000) 17.158 0.758 ( 36.515 -0.008 0.000) 36.515 1.545 ( -3.695 -0.587 0.000) 3.741 1.644 ( 0.098 -1.193 0.000) 1.197 1.689 ( -1.843 0.535 0.000) 1.919 1.714 ( -8.401 -1.280 0.000) 8.498 1.849 ( 3.111 1.491 0.000) 3.450 1.996 ( -1.238 -0.117 0.000) 1.244 2.031 ( -2.916 -0.002 0.000) 2.916 2.067 ( -0.066 -0.008 0.000) 0.067 2.163 ( -0.220 4.762 0.000) 4.767 2.239 ( -5.932 5.495 0.000) 8.086 2.272 ( -2.846 1.069 0.000) 3.041 2.282 ( 3.696 -4.691 0.000) 5.972 2.378 ( -5.753 -2.020 0.000) 6.097 2.544 ( -0.232 -1.353 0.000) 1.373 2.601 ( -0.327 -1.644 0.000) 1.676 2.698 ( 7.165 -4.907 0.000) 8.684 2.753 ( 13.340 5.847 0.000) 14.565 2.885 ( 0.041 -0.035 0.000) 0.054 3.062 ( 8.222 1.101 0.000) 8.296 3.791 ( -1.617 -0.063 0.000) 1.619 4.354 ( 0.971 -0.376 0.000) 1.042 5.051 ( -1.353 -1.865 0.000) 2.304 6.761 ( -21.091 -0.521 0.000) 21.098 7.485 ( 5.756 -4.016 0.000) 7.018 7.536 ( -4.515 0.043 0.000) 4.516 7.729 ( 10.028 1.061 0.000) 10.084 7.997 ( 5.902 3.369 0.000) 6.796 8.285 ( -12.880 -0.126 0.000) 12.881 9.012 ( -10.268 -0.791 0.000) 10.299 10.246 ( 4.193 1.205 0.000) 4.363 10.378 ( 15.400 -0.922 0.000) 15.427 10.469 ( 1.102 3.771 0.000) 3.928 10.604 ( 8.573 -3.802 0.000) 9.378 12.762 ( 3.754 0.055 0.000) 3.754 13.105 ( 2.049 -0.097 0.000) 2.051 13.673 ( -2.605 0.613 0.000) 2.677 14.060 ( -12.638 -0.304 0.000) 12.641 14.374 ( -9.890 2.923 0.000) 10.313 14.483 ( 7.989 -1.212 0.000) 8.080 14.621 ( -10.874 -0.934 0.000) 10.914 14.903 ( -1.560 2.383 0.000) 2.848 14.922 ( 8.632 -1.910 0.000) 8.841 15.053 ( 8.106 -1.408 0.000) 8.227 24.080 ( 0.345 -0.018 0.000) 0.346 24.224 ( -1.534 0.012 0.000) 1.534 25.244 ( -2.558 0.411 0.000) 2.590 25.392 ( -3.805 -6.393 0.000) 7.440 25.522 ( 3.284 7.511 0.000) 8.197 25.873 ( -1.889 -2.860 0.000) 3.427 26.003 ( 10.408 2.409 0.000) 10.683 26.901 ( -1.560 -0.691 0.000) 1.706 ======================= Grid point 2 (3/78) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 16.877 -0.100 0.000) 16.877 0.651 ( 15.053 -1.304 0.000) 15.109 1.338 ( 20.894 -2.296 0.000) 21.020 1.408 ( -9.756 -2.846 0.000) 10.163 1.591 ( -7.851 -1.983 0.000) 8.097 1.593 ( -3.261 1.724 0.000) 3.689 1.677 ( 3.149 3.186 0.000) 4.480 1.888 ( 0.528 0.578 0.000) 0.782 1.980 ( 0.347 0.007 0.000) 0.347 2.020 ( 0.794 0.739 0.000) 1.084 2.055 ( -2.639 0.801 0.000) 2.758 2.100 ( -4.302 3.738 0.000) 5.699 2.123 ( -3.989 3.002 0.000) 4.992 2.223 ( -1.888 0.567 0.000) 1.971 2.324 ( 1.002 -2.496 0.000) 2.690 2.364 ( 3.877 1.761 0.000) 4.258 2.518 ( -2.382 -4.305 0.000) 4.920 2.603 ( 0.744 -0.147 0.000) 0.759 2.829 ( 4.072 -5.558 0.000) 6.890 2.849 ( -2.805 0.214 0.000) 2.813 3.079 ( 20.222 5.020 0.000) 20.836 3.269 ( 11.891 2.190 0.000) 12.091 3.750 ( -2.661 -0.838 0.000) 2.790 4.266 ( -11.423 0.266 0.000) 11.426 5.128 ( 10.619 -3.526 0.000) 11.189 6.310 ( -24.359 -1.273 0.000) 24.392 7.445 ( -3.594 0.886 0.000) 3.701 7.625 ( 7.930 -5.170 0.000) 9.466 7.873 ( 4.203 3.970 0.000) 5.782 7.952 ( -16.442 -2.218 0.000) 16.591 8.179 ( 9.015 5.844 0.000) 10.743 8.801 ( -10.903 -3.637 0.000) 11.494 10.345 ( 5.460 0.494 0.000) 5.483 10.489 ( 0.641 6.207 0.000) 6.240 10.691 ( 15.058 0.238 0.000) 15.059 10.793 ( 9.627 -6.077 0.000) 11.385 12.881 ( 8.794 0.600 0.000) 8.815 13.172 ( 5.188 -0.907 0.000) 5.267 13.574 ( -8.182 -1.845 0.000) 8.387 13.802 ( -13.774 3.097 0.000) 14.118 14.208 ( -5.957 3.700 0.000) 7.013 14.417 ( -9.844 -2.260 0.000) 10.100 14.618 ( 6.003 -3.910 0.000) 7.165 14.860 ( -2.787 4.369 0.000) 5.182 15.080 ( 7.217 -0.781 0.000) 7.259 15.179 ( 4.627 -1.865 0.000) 4.989 24.091 ( 0.826 -0.100 0.000) 0.832 24.186 ( -2.167 0.081 0.000) 2.168 25.204 ( -1.208 1.692 0.000) 2.079 25.315 ( -3.979 -5.245 0.000) 6.584 25.590 ( 3.767 7.459 0.000) 8.356 25.822 ( -3.348 -5.160 0.000) 6.151 26.248 ( 13.957 3.203 0.000) 14.320 26.846 ( -4.505 -1.459 0.000) 4.735 ======================= Grid point 3 (4/78) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 9.767 -2.039 0.000) 9.977 0.922 ( 10.348 1.754 0.000) 10.495 1.251 ( -3.709 -3.843 0.000) 5.341 1.374 ( -12.324 2.798 0.000) 12.638 1.535 ( 2.419 -4.620 0.000) 5.215 1.557 ( -0.957 2.981 0.000) 3.131 1.792 ( 6.327 3.355 0.000) 7.161 1.873 ( -2.129 -0.820 0.000) 2.282 1.974 ( -0.648 0.538 0.000) 0.842 2.009 ( -3.249 0.070 0.000) 3.250 2.042 ( 2.019 -1.405 0.000) 2.460 2.059 ( -0.828 0.713 0.000) 1.093 2.096 ( 2.240 1.245 0.000) 2.562 2.166 ( -3.908 0.523 0.000) 3.943 2.364 ( 3.327 -0.361 0.000) 3.346 2.434 ( -2.586 1.447 0.000) 2.963 2.522 ( 7.169 -1.996 0.000) 7.442 2.613 ( -0.868 0.440 0.000) 0.973 2.803 ( -1.120 1.052 0.000) 1.536 2.830 ( -2.848 -3.315 0.000) 4.371 3.489 ( 10.029 0.874 0.000) 10.067 3.490 ( 19.457 5.872 0.000) 20.323 3.686 ( -2.650 -4.724 0.000) 5.417 3.949 ( -19.799 0.344 0.000) 19.802 5.431 ( 19.446 -2.064 0.000) 19.555 5.847 ( -23.195 -0.304 0.000) 23.197 7.445 ( 4.417 1.026 0.000) 4.534 7.620 ( -12.592 1.265 0.000) 12.656 7.797 ( 5.766 -10.262 0.000) 11.771 7.888 ( -2.467 7.266 0.000) 7.674 8.382 ( 11.060 6.932 0.000) 13.053 8.593 ( -10.790 -6.300 0.000) 12.495 10.437 ( 3.761 -2.601 0.000) 4.572 10.485 ( -1.207 5.690 0.000) 5.817 10.906 ( 6.389 3.169 0.000) 7.131 10.930 ( 3.625 -5.761 0.000) 6.806 13.097 ( 13.082 2.571 0.000) 13.332 13.314 ( 9.643 -3.435 0.000) 10.237 13.360 ( -13.293 -4.764 0.000) 14.121 13.538 ( -13.162 6.183 0.000) 14.541 14.168 ( 1.639 3.719 0.000) 4.064 14.254 ( -6.814 -3.331 0.000) 7.585 14.719 ( 4.564 -5.330 0.000) 7.017 14.798 ( -3.657 5.481 0.000) 6.589 15.190 ( 3.925 0.564 0.000) 3.965 15.226 ( 0.236 -1.550 0.000) 1.568 24.112 ( 1.423 -0.186 0.000) 1.435 24.145 ( -1.974 0.174 0.000) 1.982 25.203 ( 1.151 3.000 0.000) 3.213 25.245 ( -3.086 -4.125 0.000) 5.151 25.667 ( 4.194 7.243 0.000) 8.370 25.749 ( -4.122 -6.596 0.000) 7.778 26.510 ( 12.635 2.978 0.000) 12.981 26.719 ( -8.736 -2.282 0.000) 9.029 ======================= Grid point 8 (5/78) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.306 ( 7.324 9.376 0.000) 11.898 0.449 ( 12.194 12.527 0.000) 17.483 1.083 ( 22.675 23.724 0.000) 32.818 1.512 ( -4.275 -2.362 0.000) 4.884 1.611 ( -2.208 -0.881 0.000) 2.377 1.717 ( 1.205 0.883 0.000) 1.494 1.741 ( -3.810 1.061 0.000) 3.955 1.825 ( 3.076 -3.140 0.000) 4.395 1.988 ( -1.117 -0.694 0.000) 1.315 2.031 ( -0.375 -0.761 0.000) 0.848 2.067 ( -0.101 -0.024 0.000) 0.104 2.104 ( -0.277 -7.065 0.000) 7.070 2.119 ( -6.072 -14.114 0.000) 15.364 2.235 ( -1.294 0.835 0.000) 1.540 2.322 ( 0.165 2.989 0.000) 2.993 2.355 ( -1.023 -1.071 0.000) 1.481 2.557 ( -0.902 3.310 0.000) 3.431 2.565 ( -3.340 -1.371 0.000) 3.610 2.722 ( 2.187 5.642 0.000) 6.052 2.874 ( -1.576 -1.523 0.000) 2.191 2.929 ( 15.005 10.950 0.000) 18.576 3.087 ( 5.052 2.595 0.000) 5.679 3.765 ( -2.735 -2.410 0.000) 3.645 4.386 ( -1.310 -1.547 0.000) 2.028 5.085 ( 3.309 7.327 0.000) 8.040 6.569 ( -16.733 -15.530 0.000) 22.829 7.614 ( 0.376 1.743 0.000) 1.783 7.646 ( 3.038 15.109 0.000) 15.411 7.754 ( 8.359 3.599 0.000) 9.101 7.930 ( 3.804 -6.278 0.000) 7.341 8.215 ( -5.756 -6.123 0.000) 8.404 8.947 ( -7.706 -4.990 0.000) 9.180 10.176 ( -0.323 -1.732 0.000) 1.762 10.464 ( 3.226 -4.363 0.000) 5.426 10.564 ( 12.015 12.579 0.000) 17.396 10.657 ( 2.003 9.508 0.000) 9.716 12.776 ( 1.702 1.499 0.000) 2.268 13.148 ( 4.475 4.841 0.000) 6.592 13.629 ( -6.262 -6.251 0.000) 8.848 13.899 ( -7.388 -9.013 0.000) 11.654 14.377 ( 1.902 -0.799 0.000) 2.063 14.550 ( -7.599 -5.248 0.000) 9.235 14.689 ( 5.405 4.330 0.000) 6.926 14.837 ( -1.228 3.924 0.000) 4.111 14.869 ( -0.190 -4.855 0.000) 4.858 15.119 ( 3.874 6.042 0.000) 7.177 24.082 ( 0.268 0.330 0.000) 0.425 24.209 ( -1.427 -1.472 0.000) 2.050 25.215 ( -1.804 -2.994 0.000) 3.496 25.349 ( -6.952 0.071 0.000) 6.952 25.569 ( 7.865 -1.379 0.000) 7.985 25.873 ( -3.682 2.103 0.000) 4.241 26.093 ( 11.484 7.038 0.000) 13.469 26.894 ( -1.468 -0.068 0.000) 1.469 ======================= Grid point 9 (6/78) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 16.296 -2.676 0.000) 16.514 0.717 ( 14.760 7.979 0.000) 16.778 1.378 ( -9.036 -0.577 0.000) 9.054 1.410 ( 8.385 6.127 0.000) 10.385 1.556 ( -4.660 -0.731 0.000) 4.717 1.659 ( -2.853 5.066 0.000) 5.814 1.776 ( 6.062 6.709 0.000) 9.042 1.866 ( -0.113 -4.421 0.000) 4.423 1.974 ( 0.483 -1.901 0.000) 1.962 2.000 ( -4.618 -8.953 0.000) 10.074 2.032 ( 0.263 0.003 0.000) 0.263 2.077 ( 0.428 -0.923 0.000) 1.018 2.079 ( -2.826 -6.295 0.000) 6.900 2.254 ( 1.206 2.128 0.000) 2.446 2.295 ( -2.084 0.560 0.000) 2.158 2.371 ( 2.381 -2.042 0.000) 3.137 2.523 ( -1.256 5.388 0.000) 5.532 2.557 ( 2.917 -4.255 0.000) 5.159 2.776 ( 2.217 1.864 0.000) 2.897 2.826 ( -2.941 -2.552 0.000) 3.894 3.224 ( 15.605 6.908 0.000) 17.066 3.237 ( 9.131 -3.863 0.000) 9.915 3.691 ( -4.799 -4.218 0.000) 6.389 4.247 ( -12.538 -3.469 0.000) 13.009 5.246 ( 13.412 14.874 0.000) 20.028 6.226 ( -17.440 -5.585 0.000) 18.312 7.559 ( -3.340 7.218 0.000) 7.954 7.648 ( -0.219 4.959 0.000) 4.964 7.906 ( -9.059 -1.439 0.000) 9.173 7.958 ( 9.448 4.602 0.000) 10.509 8.268 ( 11.727 4.584 0.000) 12.591 8.740 ( -12.631 -1.695 0.000) 12.744 10.240 ( 5.370 -7.673 0.000) 9.365 10.570 ( 6.383 -3.736 0.000) 7.396 10.674 ( -0.182 0.200 0.000) 0.270 10.775 ( 9.444 5.166 0.000) 10.765 12.835 ( 4.548 -4.044 0.000) 6.086 13.280 ( 9.090 10.689 0.000) 14.032 13.408 ( -14.179 -12.562 0.000) 18.944 13.844 ( -1.333 1.063 0.000) 1.705 14.360 ( -4.011 7.058 0.000) 8.118 14.381 ( -8.937 -1.015 0.000) 8.995 14.624 ( -2.823 5.666 0.000) 6.331 14.869 ( -0.362 -4.063 0.000) 4.079 14.999 ( 9.957 -6.084 0.000) 11.669 15.179 ( 2.057 1.975 0.000) 2.852 24.091 ( 0.615 0.151 0.000) 0.633 24.175 ( -1.870 -1.134 0.000) 2.187 25.193 ( -0.247 -2.861 0.000) 2.872 25.239 ( -4.700 -2.597 0.000) 5.370 25.695 ( 5.539 2.357 0.000) 6.020 25.786 ( -4.924 1.751 0.000) 5.226 26.353 ( 14.183 7.132 0.000) 15.875 26.844 ( -4.052 1.553 0.000) 4.340 ======================= Grid point 10 (7/78) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 11.692 -1.154 0.000) 11.749 0.990 ( 11.499 4.750 0.000) 12.441 1.200 ( -7.438 -1.220 0.000) 7.537 1.406 ( -8.202 0.354 0.000) 8.210 1.485 ( 0.648 -0.929 0.000) 1.133 1.635 ( 0.029 4.882 0.000) 4.882 1.823 ( -4.073 -6.085 0.000) 7.323 1.859 ( 1.584 0.692 0.000) 1.728 1.946 ( 0.735 -3.077 0.000) 3.164 1.996 ( -2.920 -1.063 0.000) 3.107 2.030 ( 2.066 0.273 0.000) 2.084 2.061 ( 0.332 -0.717 0.000) 0.790 2.103 ( 2.815 1.223 0.000) 3.069 2.174 ( -5.882 0.665 0.000) 5.919 2.341 ( 3.558 -1.303 0.000) 3.789 2.389 ( -1.231 -2.576 0.000) 2.855 2.570 ( 4.800 3.244 0.000) 5.793 2.625 ( 2.751 -0.908 0.000) 2.897 2.765 ( -3.240 -0.686 0.000) 3.312 2.786 ( 0.182 -2.179 0.000) 2.186 3.391 ( 5.398 -9.014 0.000) 10.506 3.497 ( 3.980 -10.850 0.000) 11.557 3.630 ( 7.020 5.188 0.000) 8.729 3.956 ( -15.855 0.154 0.000) 15.856 5.563 ( 18.223 13.808 0.000) 22.864 5.910 ( -15.573 6.037 0.000) 16.702 7.534 ( 1.527 5.983 0.000) 6.175 7.590 ( -6.515 -4.262 0.000) 7.786 7.798 ( 0.360 9.695 0.000) 9.701 8.079 ( 2.871 11.905 0.000) 12.246 8.491 ( -12.731 -3.113 0.000) 13.106 8.510 ( 11.954 6.687 0.000) 13.697 10.329 ( 3.126 -7.580 0.000) 8.200 10.565 ( -6.387 1.579 0.000) 6.579 10.748 ( 6.398 -11.457 0.000) 13.123 10.919 ( 5.043 -2.185 0.000) 5.496 12.961 ( 8.710 -10.234 0.000) 13.439 13.142 ( -12.607 -12.507 0.000) 17.758 13.485 ( 11.437 14.475 0.000) 18.448 13.758 ( -8.657 10.929 0.000) 13.942 14.231 ( -5.970 1.352 0.000) 6.121 14.298 ( -0.407 8.964 0.000) 8.973 14.619 ( 1.498 -4.167 0.000) 4.429 14.847 ( -1.912 -1.033 0.000) 2.173 15.157 ( 6.245 -3.600 0.000) 7.208 15.190 ( -1.078 -1.807 0.000) 2.104 24.107 ( 1.156 -0.219 0.000) 1.176 24.141 ( -1.640 -0.587 0.000) 1.741 25.165 ( -2.802 -3.620 0.000) 4.578 25.209 ( 1.858 -2.991 0.000) 3.521 25.691 ( -4.734 1.520 0.000) 4.972 25.791 ( 4.427 3.985 0.000) 5.956 26.608 ( 11.688 6.557 0.000) 13.402 26.727 ( -8.233 3.499 0.000) 8.946 ======================= Grid point 11 (8/78) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -13.558 -0.522 0.000) 13.568 0.941 ( -5.662 3.779 0.000) 6.807 1.322 ( 3.229 2.701 0.000) 4.210 1.323 ( 13.283 -1.642 0.000) 13.385 1.509 ( 2.051 -2.518 0.000) 3.248 1.649 ( 1.070 5.648 0.000) 5.748 1.726 ( -5.538 -5.249 0.000) 7.630 1.878 ( 0.504 -1.070 0.000) 1.183 1.957 ( -1.243 -0.619 0.000) 1.388 1.994 ( 2.965 -1.274 0.000) 3.227 2.035 ( -0.736 -1.812 0.000) 1.956 2.041 ( -5.243 -3.058 0.000) 6.070 2.075 ( -1.595 2.090 0.000) 2.629 2.168 ( 3.359 1.428 0.000) 3.650 2.364 ( -0.673 0.686 0.000) 0.961 2.375 ( -1.117 -2.071 0.000) 2.353 2.591 ( -1.926 -3.283 0.000) 3.807 2.619 ( -2.007 5.708 0.000) 6.050 2.744 ( 2.352 -4.663 0.000) 5.222 2.856 ( 4.266 0.240 0.000) 4.273 3.368 ( -8.955 -7.285 0.000) 11.544 3.376 ( -9.333 -8.530 0.000) 12.644 3.734 ( -4.886 1.842 0.000) 5.222 3.942 ( 17.611 -0.496 0.000) 17.618 5.610 ( -15.684 13.766 0.000) 20.868 5.916 ( 17.874 5.960 0.000) 18.841 7.502 ( -0.950 4.520 0.000) 4.619 7.626 ( 7.467 0.865 0.000) 7.517 7.839 ( 2.092 4.247 0.000) 4.734 8.082 ( -1.789 17.788 0.000) 17.878 8.253 ( -12.008 -5.025 0.000) 13.017 8.708 ( 8.467 5.198 0.000) 9.935 10.366 ( 1.291 -6.134 0.000) 6.269 10.400 ( -9.779 -6.430 0.000) 11.704 10.827 ( 0.907 -4.201 0.000) 4.298 10.950 ( -2.113 -3.552 0.000) 4.133 12.940 ( -8.148 -9.134 0.000) 12.240 13.171 ( 12.800 -14.197 0.000) 19.116 13.534 ( -13.155 14.263 0.000) 19.404 13.681 ( 7.821 10.952 0.000) 13.458 14.181 ( 1.551 5.296 0.000) 5.519 14.345 ( 4.371 5.770 0.000) 7.239 14.671 ( 3.857 -6.822 0.000) 7.837 14.795 ( -3.459 2.034 0.000) 4.013 15.135 ( -4.687 -4.797 0.000) 6.707 15.234 ( 1.532 -1.039 0.000) 1.850 24.113 ( -1.241 -0.103 0.000) 1.245 24.136 ( 1.752 -0.700 0.000) 1.887 25.135 ( -0.234 -3.375 0.000) 3.383 25.262 ( 3.464 -3.757 0.000) 5.110 25.608 ( -3.731 2.716 0.000) 4.615 25.863 ( 2.931 3.335 0.000) 4.440 26.528 ( -12.032 5.538 0.000) 13.246 26.789 ( 6.900 4.464 0.000) 8.218 ======================= Grid point 12 (9/78) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( -17.363 -2.930 0.000) 17.608 0.719 ( -14.307 7.967 0.000) 16.376 1.446 ( 5.424 -0.898 0.000) 5.498 1.462 ( -8.461 4.367 0.000) 9.522 1.603 ( 9.010 3.005 0.000) 9.498 1.604 ( -2.026 0.812 0.000) 2.183 1.697 ( 3.291 5.889 0.000) 6.747 1.859 ( -2.804 -2.715 0.000) 3.903 1.925 ( 1.735 -8.893 0.000) 9.061 1.976 ( 0.081 -0.449 0.000) 0.457 2.007 ( 0.053 -0.719 0.000) 0.721 2.050 ( 1.420 -2.776 0.000) 3.118 2.067 ( -0.110 0.190 0.000) 0.219 2.222 ( 1.969 0.711 0.000) 2.093 2.339 ( -0.653 -0.665 0.000) 0.932 2.361 ( -0.547 1.716 0.000) 1.801 2.555 ( -0.856 -5.555 0.000) 5.621 2.604 ( -0.849 3.490 0.000) 3.592 2.814 ( 4.132 -3.294 0.000) 5.284 2.850 ( -5.263 -0.994 0.000) 5.356 3.146 ( -11.582 8.505 0.000) 14.370 3.197 ( -8.346 -2.846 0.000) 8.818 3.719 ( 1.634 -3.405 0.000) 3.776 4.241 ( 12.479 -3.364 0.000) 12.925 5.311 ( -14.673 13.148 0.000) 19.702 6.249 ( 16.875 -6.173 0.000) 17.968 7.553 ( 5.006 8.321 0.000) 9.711 7.777 ( 6.450 3.390 0.000) 7.287 7.840 ( -2.655 2.734 0.000) 3.811 7.966 ( -12.444 -1.626 0.000) 12.549 8.116 ( 1.698 6.309 0.000) 6.534 8.842 ( 5.811 -0.393 0.000) 5.824 10.229 ( -6.743 -7.570 0.000) 10.138 10.398 ( 2.349 -2.490 0.000) 3.423 10.765 ( -7.301 4.815 0.000) 8.746 10.843 ( -8.457 -1.077 0.000) 8.525 12.826 ( -3.920 -3.711 0.000) 5.398 13.297 ( -10.468 10.463 0.000) 14.801 13.431 ( 13.153 -13.772 0.000) 19.044 13.783 ( 4.010 2.003 0.000) 4.482 14.284 ( 7.427 8.131 0.000) 11.013 14.443 ( 5.532 -0.380 0.000) 5.545 14.723 ( -3.363 6.196 0.000) 7.050 14.764 ( 5.508 -4.017 0.000) 6.817 15.008 ( -8.471 -7.422 0.000) 11.262 15.216 ( -3.284 1.240 0.000) 3.510 24.093 ( -0.791 0.158 0.000) 0.807 24.173 ( 2.030 -1.146 0.000) 2.331 25.157 ( 2.398 -2.431 0.000) 3.415 25.328 ( 2.712 -6.175 0.000) 6.745 25.557 ( -1.142 6.366 0.000) 6.468 25.897 ( 0.309 0.177 0.000) 0.356 26.285 ( -12.261 8.319 0.000) 14.817 26.876 ( 2.335 1.285 0.000) 2.665 ======================= Grid point 16 (10/78) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 8.340 10.320 0.000) 13.269 0.903 ( 10.365 10.354 0.000) 14.650 1.367 ( -6.730 -0.750 0.000) 6.772 1.459 ( -2.244 -1.464 0.000) 2.679 1.563 ( -4.958 -0.640 0.000) 4.999 1.648 ( 0.227 -13.195 0.000) 13.197 1.753 ( -3.329 -9.193 0.000) 9.778 1.782 ( -4.534 3.567 0.000) 5.769 1.917 ( 5.572 5.255 0.000) 7.659 1.983 ( 2.291 0.812 0.000) 2.431 1.996 ( -0.431 -1.169 0.000) 1.246 2.031 ( 0.039 -1.588 0.000) 1.589 2.089 ( 2.771 2.121 0.000) 3.490 2.256 ( 2.574 -1.755 0.000) 3.116 2.347 ( 1.677 0.599 0.000) 1.780 2.353 ( -6.029 4.732 0.000) 7.664 2.477 ( 2.371 -3.279 0.000) 4.047 2.622 ( -1.813 3.166 0.000) 3.648 2.753 ( -1.689 -4.129 0.000) 4.461 2.858 ( 0.896 4.957 0.000) 5.037 3.195 ( 2.000 0.226 0.000) 2.013 3.262 ( 2.240 -3.295 0.000) 3.985 3.670 ( -0.026 3.436 0.000) 3.436 4.123 ( -8.415 -8.879 0.000) 12.233 5.587 ( 14.774 17.749 0.000) 23.093 6.134 ( -5.155 -4.092 0.000) 6.582 7.610 ( -1.184 -2.358 0.000) 2.639 7.655 ( -9.321 -3.820 0.000) 10.073 8.007 ( 3.312 11.156 0.000) 11.637 8.045 ( 15.312 3.718 0.000) 15.757 8.373 ( 15.761 5.553 0.000) 16.711 8.754 ( -8.920 2.439 0.000) 9.247 10.147 ( -0.377 -0.577 0.000) 0.689 10.403 ( 2.613 -9.139 0.000) 9.505 10.759 ( -6.896 4.622 0.000) 8.301 10.823 ( 1.219 -0.608 0.000) 1.362 12.771 ( -1.498 -1.842 0.000) 2.374 13.150 ( -14.070 -13.413 0.000) 19.439 13.535 ( 13.287 14.649 0.000) 19.777 13.860 ( 5.000 0.994 0.000) 5.098 14.389 ( -4.646 1.895 0.000) 5.018 14.408 ( 3.679 -1.608 0.000) 4.015 14.735 ( 0.690 -8.722 0.000) 8.749 14.774 ( -6.696 5.735 0.000) 8.816 14.919 ( 4.864 0.494 0.000) 4.889 15.214 ( -1.560 0.603 0.000) 1.672 24.098 ( 0.321 0.551 0.000) 0.638 24.149 ( -1.250 -1.454 0.000) 1.918 25.123 ( -0.957 -3.456 0.000) 3.586 25.196 ( -6.101 -2.178 0.000) 6.479 25.703 ( 7.147 -0.337 0.000) 7.155 25.844 ( -4.205 2.856 0.000) 5.084 26.516 ( 13.368 9.497 0.000) 16.398 26.884 ( -0.755 1.649 0.000) 1.813 ======================= Grid point 17 (11/78) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 13.520 3.782 0.000) 14.039 1.096 ( 7.263 5.862 0.000) 9.333 1.200 ( -8.340 1.313 0.000) 8.443 1.395 ( -4.409 -1.197 0.000) 4.568 1.466 ( -4.351 -2.373 0.000) 4.956 1.609 ( -3.530 -14.278 0.000) 14.707 1.716 ( -2.028 1.905 0.000) 2.783 1.727 ( 1.732 -8.906 0.000) 9.073 1.954 ( 0.928 1.344 0.000) 1.633 1.984 ( -0.799 -0.685 0.000) 1.052 2.017 ( 0.068 -1.232 0.000) 1.234 2.028 ( -0.735 -2.089 0.000) 2.215 2.167 ( 3.362 3.544 0.000) 4.885 2.218 ( -5.590 3.997 0.000) 6.872 2.322 ( 3.803 -1.137 0.000) 3.969 2.393 ( 2.189 3.064 0.000) 3.766 2.559 ( 3.846 -3.829 0.000) 5.427 2.563 ( -3.882 -4.378 0.000) 5.852 2.777 ( 4.567 2.347 0.000) 5.135 2.835 ( -3.905 6.011 0.000) 7.168 3.227 ( 0.201 -6.966 0.000) 6.969 3.259 ( -1.202 -11.996 0.000) 12.056 3.745 ( 7.362 5.878 0.000) 9.421 3.945 ( -9.240 -1.444 0.000) 9.352 5.855 ( 12.231 14.192 0.000) 18.736 6.037 ( -5.778 6.100 0.000) 8.403 7.525 ( -3.385 -2.409 0.000) 4.155 7.580 ( -1.006 -2.046 0.000) 2.280 8.060 ( 2.036 16.157 0.000) 16.285 8.312 ( 10.797 10.483 0.000) 15.049 8.524 ( -13.790 6.978 0.000) 15.455 8.639 ( 10.842 5.832 0.000) 12.311 10.185 ( 3.160 -6.379 0.000) 7.119 10.413 ( -5.681 -14.418 0.000) 15.497 10.663 ( 0.941 1.132 0.000) 1.472 10.831 ( 0.011 -6.216 0.000) 6.216 12.787 ( 3.635 -7.126 0.000) 7.999 12.915 ( -9.754 -10.662 0.000) 14.451 13.770 ( 9.784 13.876 0.000) 16.979 13.922 ( -0.477 6.281 0.000) 6.299 14.309 ( -2.312 6.442 0.000) 6.845 14.450 ( 2.332 3.600 0.000) 4.289 14.602 ( -8.365 4.431 0.000) 9.466 14.763 ( 1.680 -6.737 0.000) 6.944 15.067 ( 7.752 -5.272 0.000) 9.375 15.153 ( -4.803 -2.575 0.000) 5.449 24.107 ( 0.644 0.135 0.000) 0.658 24.127 ( -0.963 -0.698 0.000) 1.189 25.107 ( -3.046 -2.540 0.000) 3.966 25.122 ( 0.835 -4.688 0.000) 4.762 25.764 ( -3.666 4.379 0.000) 5.712 25.815 ( 4.339 -0.584 0.000) 4.378 26.746 ( 9.722 7.312 0.000) 12.165 26.833 ( -4.811 6.193 0.000) 7.842 ======================= Grid point 18 (12/78) ======================= q-point: (-0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -14.987 1.718 0.000) 15.086 1.049 ( -0.754 6.621 0.000) 6.664 1.327 ( 10.567 1.997 0.000) 10.754 1.338 ( 1.491 -1.225 0.000) 1.929 1.442 ( 3.839 -4.582 0.000) 5.978 1.551 ( -1.571 -11.428 0.000) 11.535 1.694 ( -0.312 -1.194 0.000) 1.234 1.795 ( 3.094 -6.673 0.000) 7.355 1.966 ( -1.161 0.596 0.000) 1.305 1.978 ( 1.525 -0.666 0.000) 1.664 2.005 ( -1.281 -0.615 0.000) 1.421 2.007 ( -0.375 -0.485 0.000) 0.613 2.143 ( -2.865 4.646 0.000) 5.458 2.213 ( 2.115 2.644 0.000) 3.386 2.373 ( 0.111 1.495 0.000) 1.499 2.418 ( 0.327 3.817 0.000) 3.831 2.474 ( -4.511 -6.863 0.000) 8.213 2.612 ( 2.395 -6.173 0.000) 6.621 2.746 ( -3.521 5.324 0.000) 6.383 2.885 ( 3.781 2.967 0.000) 4.806 3.208 ( -0.262 -8.628 0.000) 8.632 3.227 ( -2.142 -6.386 0.000) 6.736 3.784 ( -7.332 3.103 0.000) 7.962 3.927 ( 10.677 -0.995 0.000) 10.723 5.876 ( -11.581 12.443 0.000) 16.998 6.039 ( 6.698 5.844 0.000) 8.889 7.532 ( 3.577 -0.853 0.000) 3.677 7.589 ( 2.125 -4.876 0.000) 5.319 8.081 ( -0.089 18.251 0.000) 18.251 8.253 ( -13.577 5.081 0.000) 14.496 8.430 ( 0.914 16.845 0.000) 16.870 8.769 ( 2.439 0.139 0.000) 2.443 10.235 ( -8.938 -8.855 0.000) 12.582 10.262 ( 5.331 -4.673 0.000) 7.090 10.757 ( 5.653 -3.005 0.000) 6.402 10.820 ( -1.597 -8.576 0.000) 8.724 12.785 ( -3.644 -6.594 0.000) 7.534 12.919 ( 9.850 -11.351 0.000) 15.029 13.800 ( -11.467 12.443 0.000) 16.921 13.871 ( 0.975 8.796 0.000) 8.850 14.334 ( 4.347 8.543 0.000) 9.585 14.454 ( -4.478 3.749 0.000) 5.841 14.569 ( 7.247 -1.865 0.000) 7.483 14.791 ( 1.137 -2.285 0.000) 2.553 15.032 ( -7.489 -4.882 0.000) 8.940 15.183 ( 3.934 -4.168 0.000) 5.731 24.111 ( -0.776 -0.073 0.000) 0.780 24.123 ( 1.107 -0.502 0.000) 1.215 25.082 ( 0.525 -2.052 0.000) 2.118 25.153 ( 2.158 -5.837 0.000) 6.223 25.712 ( -1.583 6.037 0.000) 6.241 25.866 ( 0.794 -2.042 0.000) 2.191 26.699 ( -8.793 10.401 0.000) 13.619 26.874 ( 3.342 3.785 0.000) 5.049 ======================= Grid point 24 (13/78) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 8.092 9.010 0.000) 12.110 1.159 ( 0.766 -2.544 0.000) 2.657 1.250 ( -3.830 2.402 0.000) 4.521 1.344 ( -6.839 -6.546 0.000) 9.467 1.380 ( -0.982 -3.960 0.000) 4.080 1.386 ( 0.353 -2.016 0.000) 2.047 1.641 ( -2.066 -0.168 0.000) 2.073 1.682 ( -4.160 -4.555 0.000) 6.169 1.964 ( -0.408 -0.526 0.000) 0.666 1.965 ( -0.316 -0.214 0.000) 0.382 2.005 ( 0.214 0.222 0.000) 0.308 2.009 ( 0.130 -0.257 0.000) 0.288 2.224 ( 3.402 3.255 0.000) 4.708 2.276 ( 3.662 -1.532 0.000) 3.970 2.322 ( -5.487 4.182 0.000) 6.899 2.391 ( -1.318 -5.659 0.000) 5.810 2.515 ( 2.859 -0.955 0.000) 3.014 2.519 ( -2.237 1.687 0.000) 2.802 2.858 ( 6.268 5.466 0.000) 8.317 2.939 ( 0.142 2.094 0.000) 2.099 3.074 ( -2.996 -4.891 0.000) 5.736 3.119 ( -5.190 -4.693 0.000) 6.997 3.844 ( 3.038 4.174 0.000) 5.163 3.902 ( -1.898 -2.810 0.000) 3.391 6.062 ( 6.367 6.695 0.000) 9.239 6.112 ( 1.120 1.027 0.000) 1.520 7.498 ( -2.870 -0.418 0.000) 2.900 7.507 ( -1.195 -3.480 0.000) 3.680 8.378 ( 5.822 15.294 0.000) 16.365 8.427 ( 14.326 1.382 0.000) 14.392 8.678 ( 7.533 -2.906 0.000) 8.074 8.688 ( -7.825 6.288 0.000) 10.039 10.117 ( -2.275 0.042 0.000) 2.276 10.174 ( -4.557 -8.421 0.000) 9.575 10.689 ( -3.231 1.257 0.000) 3.467 10.713 ( -1.538 -4.884 0.000) 5.120 12.704 ( -1.221 -1.124 0.000) 1.659 12.750 ( -5.796 -5.892 0.000) 8.265 13.981 ( 5.525 6.944 0.000) 8.874 14.007 ( 4.072 2.231 0.000) 4.643 14.444 ( -1.423 5.195 0.000) 5.386 14.448 ( 2.991 -1.386 0.000) 3.297 14.647 ( 6.438 -2.601 0.000) 6.944 14.712 ( -5.761 2.202 0.000) 6.168 14.996 ( 2.106 0.058 0.000) 2.107 15.079 ( -6.187 -4.904 0.000) 7.895 24.111 ( 0.133 0.277 0.000) 0.308 24.116 ( -0.276 -0.418 0.000) 0.501 25.058 ( -0.377 -1.555 0.000) 1.600 25.068 ( -2.587 -1.357 0.000) 2.922 25.803 ( 2.998 -0.076 0.000) 2.999 25.822 ( -1.940 1.126 0.000) 2.243 26.869 ( 6.129 4.762 0.000) 7.761 26.915 ( 0.066 1.358 0.000) 1.360 ======================= Grid point 49 (14/78) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.337 ( 0.000 0.000 16.533) 16.533 0.337 ( -0.000 0.000 16.533) 16.533 0.628 ( -0.000 0.000 30.819) 30.819 1.578 ( 0.000 0.000 0.030) 0.030 1.627 ( 0.000 0.000 -1.681) 1.681 1.627 ( 0.000 0.000 -1.681) 1.681 1.821 ( 0.000 0.000 1.248) 1.248 1.821 ( 0.000 0.000 1.248) 1.248 2.005 ( 0.000 0.000 -0.388) 0.388 2.075 ( -0.000 0.000 0.692) 0.692 2.134 ( 0.000 0.000 -0.539) 0.539 2.172 ( 0.000 0.000 0.761) 0.761 2.172 ( 0.000 0.000 0.761) 0.761 2.256 ( 0.000 0.000 -3.043) 3.043 2.256 ( 0.000 0.000 -3.043) 3.043 2.394 ( 0.000 0.000 -0.705) 0.705 2.544 ( 0.000 0.000 1.140) 1.140 2.610 ( 0.000 -0.000 0.962) 0.962 2.610 ( 0.000 0.000 0.962) 0.962 2.715 ( 0.000 0.000 -3.151) 3.151 2.905 ( 0.000 0.000 2.881) 2.881 3.032 ( 0.000 0.000 4.569) 4.569 3.743 ( -0.000 0.000 -4.950) 4.950 4.385 ( 0.000 0.000 3.682) 3.682 5.185 ( 0.000 0.000 10.812) 10.812 7.181 ( 0.000 0.000 -16.632) 16.632 7.181 ( 0.000 -0.000 -16.632) 16.632 7.510 ( -0.000 0.000 -0.886) 0.886 7.723 ( -0.000 0.000 5.922) 5.922 7.723 ( 0.000 -0.000 5.922) 5.922 8.479 ( 0.000 0.000 5.769) 5.769 9.178 ( -0.000 0.000 4.510) 4.510 10.207 ( 0.000 0.000 0.825) 0.825 10.207 ( 0.000 0.000 0.825) 0.825 10.475 ( 0.000 0.000 1.837) 1.837 10.475 ( -0.000 0.000 1.837) 1.837 12.784 ( 0.000 0.000 -3.269) 3.269 12.923 ( 0.000 0.000 -14.120) 14.120 13.750 ( 0.000 0.000 3.755) 3.755 14.213 ( 0.000 0.000 -3.389) 3.389 14.364 ( 0.000 -0.000 2.263) 2.263 14.364 ( 0.000 -0.000 2.263) 2.263 14.591 ( 0.000 0.000 8.152) 8.152 14.891 ( 0.000 -0.000 -2.734) 2.734 14.891 ( 0.000 0.000 -2.734) 2.734 15.254 ( 0.000 0.000 0.786) 0.786 24.078 ( 0.000 0.000 0.119) 0.119 24.227 ( 0.000 0.000 -1.255) 1.255 25.436 ( 0.000 -0.000 -2.396) 2.396 25.436 ( 0.000 0.000 -2.396) 2.396 25.467 ( 0.000 0.000 0.742) 0.742 25.845 ( 0.000 0.000 -1.237) 1.237 25.892 ( 0.000 0.000 0.025) 0.025 25.892 ( 0.000 -0.000 0.025) 0.025 ======================= Grid point 50 (15/78) ======================= q-point: ( 0.14 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.378 ( 8.973 -1.295 9.737) 13.304 0.471 ( 11.706 0.315 11.112) 16.143 0.973 ( 25.437 0.062 17.198) 30.705 1.547 ( -3.325 -0.375 0.076) 3.347 1.634 ( 0.459 -1.859 -1.067) 2.193 1.647 ( 0.352 1.755 -2.675) 3.219 1.737 ( -7.773 -1.734 2.198) 8.262 1.856 ( 2.647 1.336 0.625) 3.030 1.980 ( -2.054 -0.241 -1.239) 2.411 2.034 ( -3.242 -0.427 0.211) 3.277 2.075 ( -0.208 0.066 0.794) 0.824 2.163 ( -2.599 3.938 -1.120) 4.850 2.192 ( -1.937 3.793 -2.577) 4.978 2.244 ( -1.873 -0.844 -1.922) 2.813 2.310 ( 3.384 -0.671 1.522) 3.771 2.352 ( -2.244 -2.017 -0.508) 3.060 2.555 ( 0.393 -1.136 1.085) 1.620 2.600 ( -1.496 -2.282 -1.339) 3.039 2.699 ( 4.251 -3.775 -0.532) 5.711 2.745 ( 10.455 4.742 -0.932) 11.518 2.898 ( -0.540 0.064 1.331) 1.438 3.102 ( 7.344 1.158 4.398) 8.638 3.739 ( -0.549 -0.674 -4.202) 4.291 4.375 ( -2.285 0.132 0.797) 2.423 5.168 ( 0.112 -0.759 11.969) 11.994 6.999 ( -29.089 -0.629 14.237) 32.393 7.223 ( 3.563 -4.377 -15.147) 16.165 7.469 ( 18.239 3.777 -21.118) 28.159 7.711 ( -0.762 -0.210 6.470) 6.518 7.923 ( 7.664 1.668 -3.153) 8.453 8.358 ( -11.465 -0.350 7.154) 13.518 9.039 ( -11.663 0.062 2.663) 11.963 10.251 ( 3.752 -1.334 0.398) 4.002 10.396 ( 14.389 1.149 1.278) 14.491 10.482 ( 1.341 3.537 1.135) 3.949 10.580 ( 9.199 -3.734 -0.773) 9.958 12.787 ( 2.524 0.422 0.071) 2.560 12.948 ( 2.712 -0.363 -13.536) 13.809 13.729 ( -2.269 0.284 3.901) 4.522 14.023 ( -12.716 -1.776 -2.576) 13.096 14.355 ( -5.264 8.604 0.623) 10.106 14.476 ( 6.753 -6.763 0.120) 9.557 14.655 ( -7.087 -0.453 3.181) 7.781 14.813 ( 6.284 -0.944 -1.391) 6.505 14.886 ( 0.245 1.855 -2.634) 3.231 15.255 ( 1.420 -0.765 7.112) 7.293 24.078 ( 0.131 -0.015 -0.138) 0.191 24.211 ( -1.529 0.005 -1.253) 1.977 25.291 ( -5.639 0.297 2.444) 6.153 25.407 ( -3.436 -7.111 1.718) 8.082 25.509 ( 3.289 8.579 -1.379) 9.290 25.841 ( -0.916 -2.447 -3.310) 4.217 25.983 ( 9.476 1.873 -1.705) 9.808 26.409 ( 23.469 -1.005 -25.418) 34.610 ======================= Grid point 51 (16/78) ======================= q-point: ( 0.29 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 14.841 -2.839 1.441) 15.179 0.723 ( 13.417 1.695 6.094) 14.833 1.367 ( 6.775 -1.914 2.456) 7.456 1.448 ( -2.134 -1.157 2.601) 3.558 1.571 ( -6.712 -0.558 -1.566) 6.915 1.606 ( -4.442 -1.736 1.342) 4.955 1.699 ( 5.340 3.535 2.566) 6.899 1.884 ( 0.036 0.657 -0.595) 0.887 1.961 ( 0.935 0.218 -1.316) 1.629 1.998 ( -2.073 0.155 -2.097) 2.953 2.057 ( -3.284 3.505 0.345) 4.815 2.078 ( -0.899 1.400 -0.082) 1.666 2.151 ( -3.094 1.390 0.213) 3.398 2.207 ( -1.234 -0.674 -1.221) 1.863 2.337 ( 0.569 3.453 1.076) 3.662 2.374 ( 4.635 -2.097 1.499) 5.304 2.537 ( -2.403 -3.751 1.592) 4.731 2.599 ( 1.042 -0.678 -0.543) 1.356 2.791 ( 2.025 -4.713 -3.199) 6.045 2.844 ( -0.504 -0.302 -1.211) 1.346 3.054 ( 17.622 3.377 -1.790) 18.032 3.289 ( 11.252 4.060 2.251) 12.173 3.716 ( -2.030 -2.564 -2.963) 4.413 4.237 ( -12.589 0.340 -3.008) 12.947 5.264 ( 10.542 -1.940 13.047) 16.886 6.454 ( -26.832 -1.295 12.116) 29.469 7.302 ( 4.371 -4.955 -10.026) 12.008 7.712 ( 1.239 0.362 2.746) 3.034 7.776 ( 11.109 7.145 -9.060) 16.017 7.975 ( -6.836 -2.501 -0.533) 7.298 8.163 ( -0.611 3.028 3.799) 4.896 8.798 ( -12.623 -2.714 -0.150) 12.912 10.331 ( 4.217 -0.563 -1.448) 4.494 10.472 ( -0.301 5.911 -1.383) 6.079 10.705 ( 13.694 -0.023 0.723) 13.714 10.774 ( 9.706 -5.084 -1.590) 11.072 12.900 ( 8.825 2.350 1.085) 9.196 13.034 ( 6.334 -2.475 -11.119) 13.033 13.641 ( -7.589 -3.317 4.279) 9.322 13.769 ( -13.249 3.137 -2.749) 13.890 14.226 ( -5.689 5.751 2.292) 8.408 14.443 ( -10.651 -2.356 1.760) 11.049 14.602 ( 5.894 -4.735 -1.110) 7.641 14.837 ( -2.297 3.364 -1.789) 4.449 15.041 ( 10.145 0.033 -0.615) 10.164 15.287 ( 1.098 -1.530 6.234) 6.512 24.085 ( 0.636 -0.080 -0.562) 0.853 24.174 ( -2.136 0.048 -1.220) 2.460 25.220 ( -1.958 0.736 1.219) 2.421 25.327 ( -4.327 -4.245 1.339) 6.208 25.582 ( 4.105 7.582 -0.875) 8.666 25.805 ( -2.653 -5.031 -1.593) 5.907 26.209 ( 12.884 3.233 -3.662) 13.779 26.639 ( 3.404 -1.907 -16.910) 17.354 ======================= Grid point 52 (17/78) ======================= q-point: ( 0.43 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 11.362 -4.341 0.011) 12.163 0.951 ( 7.987 4.259 2.925) 9.513 1.262 ( -4.332 -2.237 1.262) 5.037 1.363 ( -11.262 1.682 -0.606) 11.403 1.530 ( 1.539 -2.203 -0.499) 2.733 1.554 ( -1.527 0.248 -0.265) 1.570 1.810 ( 4.452 2.949 1.324) 5.502 1.867 ( -1.750 -0.550 -0.573) 1.922 1.953 ( -0.177 0.332 -1.684) 1.726 1.986 ( -1.948 0.901 -1.565) 2.656 2.045 ( 2.153 -0.038 0.795) 2.295 2.070 ( -0.509 -0.084 0.697) 0.867 2.117 ( 0.716 -0.622 0.980) 1.364 2.166 ( -3.140 0.279 -0.034) 3.152 2.379 ( 3.852 3.373 1.045) 5.226 2.463 ( -3.778 -2.207 2.295) 4.940 2.519 ( 7.738 -0.808 0.218) 7.784 2.613 ( -0.823 -0.044 0.072) 0.827 2.779 ( -0.595 -0.736 -2.298) 2.485 2.814 ( -3.230 -1.489 -1.571) 3.889 3.414 ( 16.220 0.272 -4.381) 16.804 3.516 ( 10.991 8.421 0.296) 13.850 3.658 ( -1.896 -7.093 -2.501) 7.756 3.918 ( -19.092 0.180 -3.029) 19.332 5.555 ( 18.842 -1.088 11.896) 22.310 5.967 ( -23.495 -0.539 11.153) 26.013 7.415 ( 8.249 -3.041 -2.653) 9.183 7.624 ( -11.805 4.167 -0.180) 12.520 7.858 ( 1.783 -7.610 5.130) 9.349 7.891 ( 0.221 5.554 -0.136) 5.560 8.315 ( 11.813 7.186 -4.971) 14.694 8.556 ( -12.592 -6.195 -3.150) 14.383 10.404 ( 3.209 -2.662 -3.252) 5.288 10.452 ( -1.751 5.330 -3.076) 6.398 10.897 ( 5.588 0.799 -1.376) 5.810 10.913 ( 3.769 -3.137 -1.634) 5.169 13.104 ( 11.061 7.272 0.096) 13.238 13.179 ( 6.565 -7.757 -6.932) 12.302 13.456 ( -8.356 -11.653 2.968) 14.643 13.523 ( -11.774 12.377 -0.787) 17.101 14.184 ( 1.461 4.218 1.772) 4.802 14.270 ( -7.013 -3.357 1.432) 7.906 14.703 ( 4.575 -5.056 -1.266) 6.935 14.780 ( -3.510 4.740 -1.442) 6.072 15.200 ( 6.173 0.737 1.549) 6.407 15.280 ( -2.140 -1.418 3.855) 4.632 24.103 ( 1.279 -0.137 -0.899) 1.570 24.134 ( -1.894 0.118 -1.115) 2.201 25.211 ( 0.940 1.725 0.696) 2.084 25.252 ( -3.213 -2.756 0.738) 4.297 25.664 ( 4.243 7.063 -0.429) 8.251 25.742 ( -3.791 -6.418 -0.632) 7.481 26.446 ( 10.957 3.271 -6.108) 12.964 26.610 ( -5.566 -2.704 -9.974) 11.738 ======================= Grid point 57 (18/78) ======================= q-point: ( 0.14 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( 3.494 8.831 13.040) 16.132 0.519 ( 11.738 8.250 6.959) 15.946 1.196 ( 17.119 17.760 9.873) 26.570 1.519 ( -3.406 -2.253 0.695) 4.143 1.606 ( -1.812 -0.378 -0.276) 1.872 1.685 ( 2.495 1.045 -2.717) 3.834 1.751 ( -4.200 1.099 1.062) 4.470 1.841 ( 2.679 -2.135 1.429) 3.712 1.968 ( -1.272 -0.982 -1.691) 2.333 2.021 ( -4.268 -2.380 -0.862) 4.962 2.073 ( -0.137 -0.648 0.663) 0.937 2.094 ( -0.251 -12.486 -1.155) 12.542 2.135 ( -1.139 -4.612 1.646) 5.027 2.246 ( -0.057 0.655 -1.815) 1.930 2.267 ( -2.311 2.646 -0.415) 3.538 2.379 ( 1.456 0.832 0.872) 1.890 2.550 ( -2.223 0.223 -0.291) 2.253 2.575 ( -3.154 0.554 0.355) 3.222 2.721 ( 1.484 5.616 -0.252) 5.814 2.844 ( 2.375 0.864 -3.025) 3.942 2.932 ( 9.238 7.024 0.540) 11.618 3.124 ( 4.590 1.313 3.741) 6.065 3.744 ( -1.018 0.579 -2.119) 2.421 4.362 ( -3.008 -3.469 -2.192) 5.088 5.197 ( 3.398 5.410 11.692) 13.323 6.758 ( -20.036 -18.663 14.097) 30.798 7.334 ( -1.303 11.625 -17.199) 20.800 7.544 ( 16.324 4.243 -16.525) 23.613 7.802 ( 3.884 5.239 4.148) 7.729 7.901 ( 1.820 -2.811 -1.976) 3.888 8.303 ( -5.040 -4.323 8.268) 10.604 8.961 ( -7.937 -6.947 1.567) 10.664 10.214 ( -0.759 -0.136 2.992) 3.090 10.469 ( 2.633 -3.942 0.497) 4.767 10.554 ( 11.629 10.898 -0.704) 15.953 10.644 ( 2.394 9.381 -0.968) 9.730 12.783 ( 0.606 -0.332 -1.274) 1.450 13.005 ( 5.583 6.443 -11.252) 14.117 13.691 ( -6.395 -5.866 4.124) 9.608 13.883 ( -7.759 -7.702 -1.163) 10.994 14.360 ( 4.081 -3.456 -0.720) 5.396 14.559 ( -5.009 -0.106 0.723) 5.062 14.734 ( -8.367 12.601 -1.712) 15.222 14.736 ( 10.942 -4.783 1.517) 12.038 14.852 ( 0.918 -4.082 -1.681) 4.510 15.265 ( 0.396 2.032 7.557) 7.835 24.076 ( -0.091 -0.041 -0.570) 0.579 24.199 ( -1.177 -1.199 -0.947) 1.929 25.250 ( -3.399 -4.094 2.572) 5.910 25.344 ( -5.933 -0.143 -0.320) 5.943 25.572 ( 7.705 -1.210 0.298) 7.805 25.854 ( -3.277 2.487 -2.031) 4.588 26.057 ( 10.940 6.615 -3.500) 13.255 26.560 ( 9.037 10.996 -22.816) 26.892 ======================= Grid point 58 (19/78) ======================= q-point: ( 0.29 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 11.553 2.954 5.853) 13.284 0.782 ( 14.404 5.489 5.517) 16.372 1.380 ( -5.069 0.800 0.875) 5.206 1.450 ( 1.375 1.240 2.490) 3.103 1.549 ( -4.776 0.395 -0.759) 4.852 1.652 ( -3.635 4.781 -0.877) 6.069 1.791 ( 6.352 5.428 1.698) 8.526 1.870 ( -0.612 -3.536 0.247) 3.597 1.945 ( -1.504 -5.648 -1.552) 6.047 1.962 ( 1.330 -0.636 -1.721) 2.266 2.069 ( -0.623 -1.635 1.257) 2.155 2.083 ( -1.249 -2.404 0.892) 2.852 2.097 ( -2.325 -4.375 1.298) 5.121 2.234 ( -1.487 2.635 -2.478) 3.911 2.303 ( 5.083 -1.629 2.207) 5.776 2.402 ( -0.108 -0.873 2.135) 2.309 2.518 ( -2.051 4.204 -0.368) 4.693 2.546 ( 3.357 -3.830 -1.095) 5.209 2.750 ( 0.580 1.628 -2.239) 2.828 2.819 ( -1.970 -1.887 -0.834) 2.853 3.169 ( 12.417 5.553 -3.515) 14.049 3.271 ( 9.682 -4.249 1.924) 10.747 3.700 ( -3.204 0.365 0.484) 3.261 4.215 ( -12.047 -3.162 -3.159) 12.849 5.339 ( 11.155 9.454 9.663) 17.526 6.373 ( -18.404 -5.149 12.780) 22.990 7.326 ( 1.668 5.907 -14.773) 15.998 7.745 ( 0.788 0.049 -0.916) 1.209 7.877 ( -4.855 -3.757 -1.720) 6.375 7.946 ( 10.979 8.727 -1.159) 14.073 8.279 ( 5.350 7.710 2.902) 9.823 8.743 ( -13.813 -2.173 0.523) 13.992 10.254 ( 3.519 -4.957 1.343) 6.226 10.561 ( 5.839 -3.923 -1.021) 7.108 10.657 ( -0.282 2.007 -1.538) 2.545 10.770 ( 9.597 3.022 -0.643) 10.082 12.823 ( 3.715 -5.969 -2.100) 7.337 13.158 ( 9.622 10.577 -7.999) 16.384 13.461 ( -13.694 -11.500 2.417) 18.045 13.833 ( -0.923 2.456 -0.987) 2.803 14.386 ( -2.511 4.862 2.005) 5.827 14.404 ( -9.040 -1.153 1.802) 9.290 14.603 ( -3.079 7.426 -1.375) 8.156 14.833 ( 0.301 -4.072 -2.591) 4.836 14.996 ( 10.902 -4.227 1.111) 11.745 15.270 ( -0.319 0.152 6.006) 6.017 24.076 ( 0.032 -0.724 -1.465) 1.634 24.172 ( -1.420 -0.269 -0.317) 1.480 25.190 ( -2.494 -3.134 -0.434) 4.029 25.264 ( -2.847 -2.715 2.408) 4.612 25.695 ( 5.359 2.662 -0.002) 5.983 25.773 ( -4.451 1.904 -1.218) 4.992 26.307 ( 13.543 6.588 -4.497) 15.718 26.661 ( 1.241 4.037 -15.592) 16.154 ======================= Grid point 59 (20/78) ======================= q-point: ( 0.43 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 10.534 0.948 1.297) 10.656 1.036 ( 10.374 3.819 3.351) 11.551 1.217 ( -8.261 -1.302 2.108) 8.625 1.398 ( -7.208 1.123 -0.807) 7.339 1.489 ( 0.069 -0.523 0.080) 0.534 1.619 ( 0.175 4.373 -1.503) 4.627 1.822 ( -2.403 -4.692 -0.397) 5.286 1.848 ( -0.318 -2.099 -0.768) 2.258 1.929 ( 0.029 -1.011 -0.662) 1.209 1.997 ( -1.503 -0.148 -0.184) 1.521 2.050 ( 0.635 -0.018 1.496) 1.626 2.074 ( -0.012 -0.339 0.946) 1.005 2.109 ( 2.809 0.808 0.728) 3.012 2.188 ( -3.114 2.436 1.003) 4.079 2.344 ( -1.205 -4.843 0.802) 5.055 2.429 ( 2.163 -0.585 3.381) 4.057 2.550 ( 4.762 1.962 -1.817) 5.462 2.622 ( 2.789 -0.531 -0.375) 2.864 2.740 ( 0.409 -0.338 -2.604) 2.658 2.776 ( -2.996 -2.027 -0.626) 3.671 3.345 ( 3.144 -9.571 -3.331) 10.610 3.491 ( 12.555 -4.305 -2.150) 13.446 3.636 ( -2.963 1.360 0.925) 3.389 3.953 ( -11.996 2.906 -0.348) 12.348 5.582 ( 11.603 4.702 4.012) 13.147 6.078 ( -10.881 9.953 14.203) 20.474 7.406 ( 6.668 1.068 -9.047) 11.289 7.634 ( -9.673 -5.260 2.125) 11.213 7.813 ( 0.024 7.362 -0.857) 7.412 8.114 ( 4.617 13.152 2.453) 14.153 8.457 ( -1.376 3.117 -2.897) 4.473 8.472 ( -1.213 3.452 -1.755) 4.058 10.303 ( 1.245 -5.952 -2.207) 6.469 10.563 ( -5.098 4.217 -0.877) 6.674 10.727 ( 6.204 -11.694 -1.794) 13.359 10.915 ( 4.832 -2.297 -0.634) 5.387 12.920 ( 5.178 -11.748 -2.953) 13.173 13.183 ( -8.150 -11.301 2.720) 14.196 13.400 ( 8.943 12.529 -6.742) 16.804 13.770 ( -6.021 11.178 0.033) 12.696 14.248 ( -6.266 1.341 1.333) 6.545 14.327 ( -1.125 9.602 2.749) 10.051 14.606 ( 2.080 -3.998 -0.925) 4.600 14.821 ( -1.457 -0.994 -1.981) 2.653 15.177 ( 7.537 -3.077 2.112) 8.410 15.240 ( -2.947 -2.258 3.781) 5.299 24.078 ( 0.154 -1.659 -2.443) 2.957 24.150 ( -0.685 0.873 0.477) 1.208 25.152 ( -1.449 -4.234 -0.868) 4.559 25.238 ( 0.275 -2.326 2.364) 3.328 25.684 ( -4.360 1.626 -0.694) 4.704 25.791 ( 4.216 4.003 -0.034) 5.814 26.544 ( 10.201 6.295 -6.329) 13.555 26.616 ( -5.466 3.816 -10.128) 12.125 ======================= Grid point 60 (21/78) ======================= q-point: (-0.43 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -7.956 -0.101 1.528) 8.102 0.999 ( -10.505 5.387 3.220) 12.237 1.266 ( 10.706 -0.650 -2.205) 10.950 1.367 ( 5.428 1.256 1.788) 5.852 1.502 ( 1.338 -2.001 -0.510) 2.460 1.650 ( 2.670 5.079 0.078) 5.738 1.746 ( -4.553 -4.459 1.503) 6.548 1.860 ( 0.845 -2.087 -1.563) 2.741 1.928 ( -0.663 -0.246 -1.401) 1.569 1.985 ( -0.188 0.085 -0.680) 0.711 2.034 ( -1.899 -1.057 0.751) 2.300 2.073 ( 0.057 -1.342 1.098) 1.735 2.114 ( -3.042 -0.232 2.532) 3.965 2.183 ( 2.946 2.061 1.676) 3.966 2.302 ( -1.907 -2.137 -2.830) 4.026 2.458 ( -1.295 -0.280 4.801) 4.980 2.568 ( -0.540 -1.463 -1.831) 2.405 2.623 ( -2.265 2.664 -0.072) 3.498 2.741 ( 1.611 -3.734 -0.387) 4.085 2.829 ( 5.013 0.847 -2.201) 5.540 3.298 ( -6.079 -11.625 -3.283) 13.523 3.415 ( -14.821 -0.259 0.030) 14.823 3.719 ( 3.697 -0.998 -1.510) 4.116 3.948 ( 12.010 2.713 0.502) 12.322 5.608 ( -9.457 4.754 2.733) 10.932 6.092 ( 12.343 10.097 14.308) 21.425 7.495 ( -3.686 2.160 -0.776) 4.342 7.571 ( 9.515 -2.053 -4.680) 10.800 7.802 ( -2.331 2.980 -4.941) 6.223 8.121 ( -5.217 9.946 -1.894) 11.390 8.241 ( -6.286 5.225 5.416) 9.806 8.670 ( 9.125 5.095 -3.416) 10.996 10.308 ( -0.783 -6.397 -3.356) 7.266 10.445 ( -5.627 -1.680 1.803) 6.143 10.803 ( 0.850 -5.449 -2.233) 5.950 10.938 ( -2.572 -2.705 -1.377) 3.979 12.897 ( -6.092 -10.369 -3.395) 12.496 13.207 ( 8.928 -12.739 2.492) 15.754 13.446 ( -6.866 11.148 -6.276) 14.519 13.714 ( 3.373 12.201 1.159) 12.712 14.188 ( 0.691 4.701 0.816) 4.821 14.365 ( 4.378 6.177 1.783) 7.779 14.662 ( 3.493 -6.591 -0.922) 7.516 14.780 ( -2.493 2.551 -0.783) 3.652 15.149 ( -6.599 -4.339 1.542) 8.047 15.281 ( 3.162 -1.498 3.752) 5.130 24.079 ( -0.031 -1.699 -2.563) 3.075 24.149 ( 0.606 0.919 0.615) 1.261 25.141 ( 0.509 -3.971 0.506) 4.036 25.270 ( 2.769 -3.069 0.790) 4.208 25.606 ( -3.570 2.719 -0.208) 4.492 25.858 ( 2.613 3.435 -0.499) 4.345 26.455 ( -10.457 5.153 -6.941) 13.567 26.690 ( 4.307 4.882 -9.261) 11.320 ======================= Grid point 61 (22/78) ======================= q-point: (-0.29 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -12.491 0.308 7.306) 14.474 0.753 ( -13.767 7.831 3.320) 16.183 1.452 ( 2.182 -1.316 -0.516) 2.600 1.457 ( -0.020 2.855 0.432) 2.888 1.581 ( 8.974 3.563 -0.188) 9.657 1.649 ( -3.763 -2.060 1.543) 4.559 1.711 ( 2.508 6.574 1.806) 7.264 1.858 ( -1.436 -2.112 0.070) 2.555 1.897 ( 0.362 -6.084 -1.749) 6.341 1.964 ( -0.201 -0.965 -0.994) 1.400 2.017 ( 0.335 -0.476 0.976) 1.136 2.073 ( -0.422 0.223 0.575) 0.747 2.086 ( 1.051 -3.182 2.157) 3.985 2.233 ( 1.826 1.576 0.901) 2.574 2.290 ( 0.045 -0.754 -2.643) 2.749 2.403 ( -2.367 1.276 2.513) 3.680 2.552 ( -1.085 -5.621 -0.417) 5.740 2.604 ( -0.664 2.507 -0.130) 2.596 2.799 ( 3.553 -2.819 -1.477) 4.770 2.842 ( -4.239 0.046 -0.732) 4.302 3.132 ( -12.558 8.759 -1.540) 15.388 3.181 ( -5.124 -4.536 -0.522) 6.863 3.746 ( 0.327 -0.584 1.747) 1.871 4.208 ( 12.013 -3.056 -3.165) 12.793 5.378 ( -12.109 8.704 7.781) 16.820 6.398 ( 17.804 -5.683 12.622) 22.552 7.467 ( -1.290 6.103 -7.785) 9.976 7.680 ( -7.698 0.471 -13.323) 15.394 7.752 ( 6.039 1.890 -3.523) 7.243 7.967 ( -7.336 0.852 -0.405) 7.397 8.228 ( 2.603 8.758 10.645) 14.028 8.822 ( 7.150 -0.954 -1.658) 7.402 10.254 ( -3.857 -5.425 1.772) 6.888 10.407 ( 1.598 -1.621 1.030) 2.499 10.743 ( -7.079 3.066 -2.154) 8.009 10.826 ( -8.405 -0.289 -1.659) 8.572 12.804 ( -2.929 -4.900 -3.097) 6.495 13.180 ( -10.625 9.301 -7.227) 15.863 13.495 ( 12.141 -12.840 3.049) 17.932 13.789 ( 3.365 3.251 0.276) 4.687 14.266 ( 5.916 7.023 -0.824) 9.220 14.473 ( 6.306 -0.110 1.930) 6.595 14.704 ( -0.622 2.718 -1.675) 3.252 14.769 ( 3.347 0.651 0.717) 3.484 14.981 ( -10.919 -6.123 -0.585) 12.532 15.301 ( -0.849 -0.344 5.739) 5.811 24.077 ( -0.121 -0.749 -1.539) 1.716 24.171 ( 1.482 -0.251 -0.220) 1.519 25.176 ( 3.067 -2.994 1.620) 4.582 25.326 ( 2.386 -5.822 -0.116) 6.293 25.558 ( -0.977 6.521 0.068) 6.594 25.884 ( -0.112 0.484 -1.228) 1.325 26.237 ( -11.306 7.682 -4.645) 14.437 26.702 ( -3.243 3.607 -14.860) 15.632 ======================= Grid point 65 (23/78) ======================= q-point: ( 0.29 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 6.909 8.900 8.808) 14.301 0.936 ( 10.074 9.616 2.803) 14.206 1.377 ( -6.859 -0.668 1.091) 6.977 1.443 ( -1.475 -2.536 -1.588) 3.336 1.576 ( -4.756 0.159 0.888) 4.841 1.653 ( 0.350 -14.994 0.505) 15.007 1.729 ( -3.831 0.020 -0.345) 3.846 1.809 ( -3.383 -1.110 1.461) 3.849 1.909 ( 3.691 2.292 -0.750) 4.409 1.977 ( 4.200 1.514 -0.402) 4.482 2.006 ( -0.602 -1.085 0.908) 1.538 2.054 ( -0.606 -1.831 1.705) 2.574 2.091 ( 2.206 2.188 0.393) 3.132 2.259 ( 1.010 -2.272 -0.250) 2.498 2.313 ( 1.428 3.171 -1.433) 3.761 2.384 ( -3.316 0.735 1.591) 3.750 2.494 ( 2.500 -0.730 1.666) 3.092 2.618 ( -1.120 3.956 -0.430) 4.134 2.730 ( -2.767 -3.870 -2.074) 5.190 2.857 ( 0.499 4.922 -0.314) 4.958 3.147 ( 0.278 -4.614 -2.276) 5.152 3.286 ( 6.508 3.973 -0.419) 7.637 3.705 ( -2.895 0.027 3.365) 4.439 4.113 ( -6.192 -6.674 -0.922) 9.150 5.563 ( 9.684 11.678 0.309) 15.174 6.304 ( -3.095 -1.833 14.244) 14.692 7.433 ( -4.007 3.034 -13.797) 14.684 7.646 ( -6.375 -7.999 -3.606) 10.846 7.889 ( 9.496 4.753 -7.130) 12.791 8.109 ( 12.205 7.057 0.297) 14.102 8.432 ( 11.006 7.222 6.303) 14.595 8.737 ( -7.933 1.098 -1.098) 8.084 10.198 ( -0.297 -0.371 4.651) 4.675 10.407 ( 1.585 -7.588 0.365) 7.760 10.758 ( -4.809 4.627 -0.200) 6.677 10.798 ( 1.187 -0.419 -2.587) 2.877 12.732 ( -2.287 -2.928 -3.626) 5.192 13.168 ( -11.824 -11.304 1.398) 16.418 13.453 ( 10.291 12.114 -6.518) 17.180 13.874 ( 5.107 2.217 0.348) 5.578 14.382 ( 3.058 -1.660 -0.286) 3.492 14.420 ( -3.696 1.163 0.480) 3.904 14.710 ( 1.221 -7.585 -2.005) 7.940 14.810 ( -8.463 9.037 3.547) 12.879 14.915 ( 8.123 -1.767 0.280) 8.318 15.272 ( -2.772 -0.777 4.452) 5.302 24.061 ( -0.776 -0.684 -2.966) 3.141 24.166 ( -0.241 -0.290 1.111) 1.173 25.119 ( -2.829 -3.668 -0.490) 4.658 25.218 ( -4.201 -2.062 2.089) 5.125 25.703 ( 7.094 -0.477 0.018) 7.110 25.835 ( -4.051 3.074 -0.861) 5.158 26.458 ( 12.868 8.691 -5.659) 16.527 26.753 ( 1.167 4.101 -11.972) 12.709 ======================= Grid point 66 (24/78) ======================= q-point: ( 0.43 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 10.158 5.657 4.668) 12.529 1.113 ( 7.690 4.685 0.565) 9.022 1.213 ( -8.961 0.558 2.722) 9.382 1.403 ( -3.189 -0.344 0.782) 3.301 1.492 ( -3.732 -0.073 1.502) 4.024 1.630 ( -1.324 -13.699 1.770) 13.876 1.668 ( -1.460 -1.973 -1.911) 3.111 1.763 ( -0.767 -3.190 1.779) 3.732 1.937 ( 1.024 0.720 -1.546) 1.989 1.992 ( -0.865 -0.452 0.492) 1.093 2.024 ( -0.085 -1.856 0.658) 1.971 2.042 ( -0.888 -2.374 0.973) 2.715 2.157 ( 2.384 3.194 -0.434) 4.009 2.240 ( -4.340 1.781 1.488) 4.921 2.296 ( 2.988 -0.135 -1.796) 3.489 2.441 ( 3.870 1.613 3.779) 5.644 2.522 ( -1.705 -2.536 -1.504) 3.406 2.601 ( 0.954 -2.840 1.887) 3.540 2.740 ( 3.639 2.407 -3.498) 5.592 2.833 ( -2.665 5.873 -0.247) 6.454 3.146 ( -1.068 -9.266 -3.058) 9.816 3.395 ( 4.295 -5.894 6.824) 9.987 3.647 ( -2.453 0.136 -6.363) 6.821 4.011 ( -3.282 2.814 4.483) 6.228 5.716 ( 5.117 7.698 -6.035) 11.039 6.278 ( -0.038 9.540 16.372) 18.949 7.404 ( 1.478 -1.596 -10.957) 11.171 7.523 ( -5.290 -6.253 -5.423) 9.823 8.008 ( 3.025 12.362 -4.752) 13.585 8.318 ( 5.181 6.764 -3.813) 9.335 8.544 ( -5.741 7.404 1.774) 9.536 8.637 ( 6.624 10.550 3.283) 12.882 10.205 ( 0.234 -3.667 2.108) 4.236 10.432 ( -1.448 -13.894 1.597) 14.061 10.668 ( -1.179 2.966 0.310) 3.207 10.828 ( 1.341 -5.968 -0.276) 6.123 12.719 ( 0.510 -8.718 -4.369) 9.764 12.969 ( -6.729 -9.823 2.812) 12.235 13.643 ( 7.057 11.075 -9.346) 16.119 13.949 ( 1.521 7.651 0.102) 7.802 14.323 ( -2.941 6.094 0.851) 6.820 14.457 ( 3.637 0.544 0.363) 3.696 14.623 ( -8.954 7.771 1.833) 11.996 14.755 ( 2.527 -4.607 0.330) 5.265 15.088 ( 8.466 -5.694 2.042) 10.405 15.190 ( -5.795 -3.392 3.046) 7.373 24.051 ( -0.275 -1.055 -3.752) 3.907 24.162 ( -0.083 0.433 1.769) 1.823 25.073 ( -1.613 -3.918 -1.730) 4.576 25.173 ( -0.629 -3.203 3.354) 4.680 25.759 ( -3.483 4.462 -0.537) 5.686 25.814 ( 4.209 -0.677 -0.146) 4.265 26.675 ( 8.761 6.882 -6.944) 13.127 26.733 ( -3.341 6.852 -9.408) 12.109 ======================= Grid point 67 (25/78) ======================= q-point: (-0.43 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -9.523 3.973 3.507) 10.898 1.104 ( -5.757 5.326 3.817) 8.722 1.281 ( 12.373 2.228 -1.323) 12.641 1.363 ( 0.307 -2.611 1.726) 3.145 1.462 ( 1.981 -1.685 0.742) 2.705 1.593 ( -1.231 -9.370 3.032) 9.925 1.695 ( 2.001 -2.241 0.548) 3.054 1.787 ( 2.557 -4.868 -0.328) 5.508 1.948 ( -0.952 1.012 -1.342) 1.931 1.979 ( 0.302 -0.668 -0.121) 0.744 2.009 ( -0.846 -0.791 0.516) 1.268 2.029 ( 0.134 -1.612 1.488) 2.198 2.151 ( -2.809 3.539 0.725) 4.576 2.210 ( 1.486 1.226 -0.507) 1.992 2.341 ( 0.731 4.025 -1.452) 4.341 2.444 ( -4.401 -5.867 -0.631) 7.361 2.494 ( 0.954 1.535 3.537) 3.972 2.628 ( 1.363 -5.251 1.461) 5.618 2.723 ( -3.430 4.351 -2.457) 6.061 2.879 ( 4.203 3.827 -0.372) 5.697 3.109 ( -1.601 -7.728 -3.748) 8.737 3.378 ( -5.042 -3.784 7.389) 9.713 3.674 ( 3.659 -2.482 -7.019) 8.295 4.006 ( 3.022 3.098 4.891) 6.531 5.727 ( -4.316 6.688 -6.349) 10.182 6.286 ( 0.550 8.941 16.373) 18.663 7.451 ( -0.100 -4.596 -8.034) 9.256 7.499 ( 5.801 -5.459 -7.854) 11.186 7.999 ( -4.272 14.479 -6.986) 16.634 8.239 ( -7.516 7.950 -4.055) 11.668 8.519 ( -1.074 14.693 8.739) 17.129 8.735 ( 2.354 1.990 -2.108) 3.734 10.209 ( 0.063 -3.573 -0.182) 3.578 10.350 ( -3.116 -7.350 6.013) 9.994 10.730 ( 4.858 -1.819 -2.290) 5.671 10.830 ( -1.509 -7.269 0.548) 7.444 12.716 ( -0.731 -8.200 -4.499) 9.382 12.972 ( 6.923 -10.339 2.830) 12.761 13.657 ( -6.288 9.617 -9.391) 14.840 13.925 ( -2.856 9.543 1.039) 10.015 14.326 ( 2.887 7.636 -0.753) 8.198 14.482 ( -5.192 2.698 1.922) 6.158 14.563 ( 7.005 -0.235 -0.193) 7.012 14.808 ( 2.964 0.702 2.296) 3.814 15.047 ( -8.922 -5.606 1.355) 10.624 15.220 ( 4.808 -4.799 3.094) 7.465 24.051 ( 0.313 -1.107 -3.788) 3.959 24.162 ( 0.064 0.463 1.815) 1.875 25.068 ( 1.283 -3.516 -1.092) 3.899 25.183 ( 1.388 -4.210 2.658) 5.169 25.710 ( -1.441 6.032 -0.237) 6.206 25.861 ( 0.590 -2.042 -0.458) 2.174 26.622 ( -7.680 10.275 -7.394) 14.806 26.780 ( 1.799 4.044 -8.858) 9.902 ======================= Grid point 73 (26/78) ======================= q-point: ( 0.43 0.43 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 7.924 7.443 4.316) 11.697 1.191 ( 3.494 1.600 0.229) 3.850 1.240 ( -7.424 1.536 4.162) 8.649 1.345 ( 1.623 -10.205 2.234) 10.572 1.390 ( -7.258 -2.243 3.101) 8.205 1.494 ( 2.058 0.829 4.236) 4.782 1.630 ( -2.781 -0.248 -0.874) 2.925 1.690 ( -4.392 -5.265 1.223) 6.964 1.951 ( -0.008 0.800 -1.116) 1.373 1.966 ( -0.647 -1.522 -0.420) 1.706 2.009 ( 0.164 0.125 0.415) 0.464 2.014 ( -0.280 -0.516 0.338) 0.677 2.210 ( 2.151 2.389 -1.170) 3.421 2.260 ( 3.396 -0.576 -1.314) 3.686 2.307 ( -4.297 1.642 -1.515) 4.843 2.405 ( -0.928 -3.645 1.515) 4.055 2.546 ( 0.431 1.426 2.867) 3.231 2.551 ( 0.168 -0.286 2.663) 2.684 2.821 ( 5.307 4.841 -3.397) 7.946 2.934 ( -0.280 2.461 -0.506) 2.528 2.998 ( -2.666 -4.999 -2.666) 6.262 3.298 ( -3.190 -3.267 12.399) 13.213 3.643 ( -0.692 -0.419 -12.291) 12.318 4.054 ( 1.418 1.342 7.558) 7.806 5.830 ( 3.151 3.278 -9.886) 10.881 6.412 ( 3.643 3.733 16.837) 17.627 7.376 ( -1.905 -0.404 -11.134) 11.303 7.406 ( -3.414 -4.692 -9.631) 11.244 8.262 ( 10.340 11.639 -8.192) 17.592 8.395 ( 5.845 1.533 -6.588) 8.939 8.591 ( -4.753 -2.286 -5.594) 7.688 8.851 ( 7.264 7.819 12.647) 16.548 10.166 ( -1.392 -0.881 4.570) 4.858 10.216 ( -4.774 -6.298 3.897) 8.811 10.711 ( -2.676 0.850 2.088) 3.499 10.723 ( -0.621 -3.420 0.901) 3.591 12.599 ( -3.344 -3.337 -5.564) 7.299 12.829 ( -4.004 -4.018 2.998) 6.416 13.797 ( 4.213 4.329 -11.658) 13.130 14.063 ( 4.003 3.669 -0.129) 5.432 14.429 ( 2.977 -1.434 -1.450) 3.608 14.437 ( -2.488 3.397 -1.181) 4.373 14.686 ( 7.566 0.967 3.673) 8.466 14.784 ( -4.275 2.707 6.906) 8.561 15.000 ( 2.691 -0.430 0.176) 2.731 15.100 ( -7.234 -5.761 1.845) 9.430 24.037 ( -0.341 -0.335 -4.381) 4.407 24.168 ( 0.152 0.150 2.298) 2.308 25.015 ( -1.661 -1.704 -2.097) 3.172 25.131 ( -1.250 -1.161 3.857) 4.218 25.800 ( 2.963 -0.125 -0.267) 2.978 25.818 ( -1.871 1.209 -0.379) 2.259 26.788 ( 5.844 4.289 -7.777) 10.632 26.827 ( 0.393 1.885 -8.474) 8.690 ======================= Grid point 98 (27/78) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( -0.000 0.000 13.952) 13.952 0.639 ( 0.000 0.000 13.952) 13.952 1.181 ( -0.000 0.000 24.374) 24.374 1.580 ( 0.000 0.000 0.155) 0.155 1.582 ( -0.000 0.000 -2.723) 2.723 1.582 ( 0.000 -0.000 -2.723) 2.723 1.854 ( 0.000 0.000 2.077) 2.077 1.854 ( 0.000 0.000 2.077) 2.077 2.002 ( 0.000 0.000 0.497) 0.497 2.088 ( 0.000 0.000 0.495) 0.495 2.133 ( -0.000 0.000 0.724) 0.724 2.133 ( 0.000 0.000 -4.884) 4.884 2.133 ( 0.000 -0.000 -4.884) 4.884 2.237 ( 0.000 0.000 1.479) 1.479 2.237 ( 0.000 -0.000 1.479) 1.479 2.381 ( 0.000 0.000 -0.672) 0.672 2.563 ( 0.000 0.000 0.586) 0.586 2.629 ( 0.000 -0.000 0.849) 0.849 2.629 ( 0.000 -0.000 0.849) 0.849 2.655 ( 0.000 0.000 -2.904) 2.904 2.953 ( 0.000 0.000 2.994) 2.994 3.165 ( 0.000 0.000 7.994) 7.994 3.662 ( -0.000 0.000 -2.836) 2.836 4.411 ( 0.000 0.000 -1.390) 1.390 5.497 ( -0.000 0.000 19.988) 19.988 6.849 ( 0.000 0.000 -16.471) 16.471 6.849 ( -0.000 0.000 -16.471) 16.471 7.479 ( 0.000 0.000 -2.449) 2.449 7.755 ( -0.000 0.000 -2.555) 2.555 7.755 ( 0.000 0.000 -2.555) 2.555 8.643 ( 0.000 0.000 10.629) 10.629 9.299 ( 0.000 0.000 7.413) 7.413 10.245 ( 0.000 0.000 2.893) 2.893 10.245 ( 0.000 0.000 2.893) 2.893 10.522 ( 0.000 0.000 2.996) 2.996 10.522 ( 0.000 0.000 2.996) 2.996 12.611 ( 0.000 0.000 -16.429) 16.429 12.688 ( 0.000 0.000 -6.510) 6.510 13.805 ( -0.000 0.000 1.862) 1.862 14.129 ( -0.000 0.000 -4.817) 4.817 14.420 ( -0.000 0.000 3.235) 3.235 14.420 ( 0.000 0.000 3.235) 3.235 14.788 ( 0.000 0.000 10.901) 10.901 14.817 ( -0.000 0.000 -4.514) 4.514 14.817 ( 0.000 0.000 -4.514) 4.514 15.270 ( 0.000 0.000 0.782) 0.782 24.080 ( -0.000 0.000 0.123) 0.123 24.194 ( 0.000 0.000 -1.987) 1.987 25.373 ( 0.000 -0.000 -3.799) 3.799 25.373 ( -0.000 0.000 -3.799) 3.799 25.488 ( 0.000 0.000 1.373) 1.373 25.811 ( -0.000 0.000 -2.156) 2.156 25.892 ( 0.000 -0.000 -0.057) 0.057 25.892 ( -0.000 -0.000 -0.057) 0.057 ======================= Grid point 99 (28/78) ======================= q-point: ( 0.14 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 0.806 0.839 13.770) 13.819 0.709 ( 6.788 -1.211 12.214) 14.026 1.298 ( 9.277 -0.135 13.330) 16.241 1.541 ( -3.225 0.420 -1.055) 3.419 1.592 ( -0.206 -0.666 -1.960) 2.081 1.631 ( 4.749 0.544 0.807) 4.848 1.792 ( -6.234 -1.440 3.014) 7.072 1.873 ( 0.990 0.420 1.162) 1.583 1.955 ( -2.893 -0.311 -1.119) 3.117 2.034 ( -3.648 0.140 -0.586) 3.697 2.096 ( -0.703 0.012 1.348) 1.521 2.119 ( -2.299 3.230 -2.172) 4.520 2.148 ( 0.250 -0.792 -2.015) 2.179 2.226 ( -2.071 3.071 -0.220) 3.710 2.333 ( 5.183 -1.738 0.823) 5.528 2.357 ( -0.129 -1.151 0.896) 1.464 2.559 ( -2.052 -0.360 -1.878) 2.805 2.578 ( -0.178 -0.865 0.302) 0.934 2.677 ( 2.187 -2.678 -1.247) 3.676 2.718 ( 6.103 1.905 -1.563) 6.582 2.942 ( 0.155 0.144 3.451) 3.458 3.220 ( 5.302 1.459 6.937) 8.852 3.666 ( 0.203 -0.953 -2.755) 2.922 4.350 ( -6.705 0.145 -3.583) 7.603 5.496 ( 1.398 -0.129 20.268) 20.317 6.920 ( 6.812 -6.297 -14.457) 17.177 7.069 ( 16.067 5.776 -17.661) 24.565 7.197 ( -19.202 -0.031 4.508) 19.724 7.754 ( -0.186 0.840 -2.025) 2.200 7.852 ( 5.589 0.285 -4.841) 7.399 8.550 ( -8.814 -0.874 11.983) 14.901 9.124 ( -14.654 0.424 6.119) 15.886 10.266 ( 1.477 -0.649 1.040) 1.920 10.422 ( 12.512 -0.376 1.261) 12.581 10.511 ( 0.308 3.842 1.826) 4.265 10.586 ( 6.534 -3.136 1.403) 7.382 12.650 ( 4.302 1.031 -15.077) 15.713 12.745 ( 6.158 -0.978 -4.496) 7.687 13.786 ( -2.151 0.047 1.811) 2.812 13.975 ( -12.526 -1.211 -2.513) 12.833 14.398 ( -3.717 7.667 2.940) 9.014 14.488 ( 4.707 -5.874 1.006) 7.594 14.681 ( -10.659 -2.157 -1.110) 10.932 14.813 ( -0.320 1.454 -4.308) 4.558 14.882 ( 8.579 0.522 7.397) 11.340 15.324 ( 3.646 -0.434 1.155) 3.849 24.075 ( -0.396 0.002 -0.149) 0.424 24.178 ( -1.512 -0.016 -1.982) 2.493 25.300 ( -4.543 -1.610 -1.030) 4.929 25.429 ( 3.530 -2.642 -1.569) 4.680 25.485 ( -2.019 5.903 0.444) 6.255 25.767 ( 0.340 -1.407 -3.241) 3.550 25.951 ( 6.400 0.381 -1.394) 6.561 26.104 ( 13.877 -0.561 -8.821) 16.453 ======================= Grid point 100 (29/78) ======================= q-point: ( 0.29 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 8.415 -0.703 7.701) 11.428 0.875 ( 9.644 0.482 8.893) 13.127 1.409 ( -1.712 -2.378 1.255) 3.188 1.457 ( -3.169 2.647 -1.621) 4.436 1.549 ( -3.635 -0.709 -0.422) 3.727 1.655 ( -5.904 -5.294 3.857) 8.818 1.765 ( 5.806 3.843 2.990) 7.577 1.858 ( -1.215 0.016 -1.643) 2.043 1.947 ( 0.116 1.104 -0.891) 1.424 1.965 ( -2.183 0.282 -0.331) 2.226 2.068 ( -1.915 3.456 0.659) 4.006 2.088 ( -0.157 0.463 0.828) 0.962 2.132 ( -1.510 0.509 -1.353) 2.090 2.187 ( -0.799 -1.051 -0.818) 1.553 2.349 ( -0.955 4.654 -0.015) 4.751 2.424 ( 5.123 -1.519 2.909) 6.084 2.563 ( -2.126 -2.831 0.884) 3.649 2.577 ( 2.857 -2.125 -1.891) 4.032 2.718 ( 1.405 -3.522 -3.666) 5.275 2.800 ( 1.188 -0.061 -2.739) 2.986 3.047 ( 12.080 0.912 1.555) 12.213 3.353 ( 8.179 6.167 3.893) 10.958 3.656 ( -1.667 -4.332 -2.791) 5.416 4.146 ( -14.061 0.092 -6.140) 15.344 5.597 ( 9.465 -0.481 19.728) 21.886 6.689 ( -25.182 -0.509 10.300) 27.212 7.109 ( 11.216 -9.006 -9.165) 17.055 7.490 ( 19.373 7.706 -15.213) 25.810 7.741 ( -1.437 6.094 -2.313) 6.674 7.926 ( 1.659 -0.278 -3.921) 4.267 8.359 ( -8.653 -3.562 13.818) 16.688 8.822 ( -15.739 -0.806 3.520) 16.148 10.288 ( 0.973 -0.580 -2.939) 3.150 10.444 ( -3.120 4.323 -1.221) 5.470 10.693 ( 10.350 -2.281 -2.180) 10.821 10.747 ( 8.724 -1.358 -1.029) 8.889 12.788 ( 10.059 3.722 -11.053) 15.402 12.923 ( 11.791 -3.824 -0.939) 12.431 13.685 ( -12.013 -7.702 -0.428) 14.276 13.729 ( -9.364 6.584 -0.493) 11.458 14.291 ( -5.645 7.096 3.743) 9.810 14.457 ( -9.472 -2.463 -0.412) 9.796 14.599 ( 4.438 -5.290 0.969) 6.973 14.795 ( -1.624 2.529 -2.726) 4.058 15.074 ( 10.013 0.704 3.638) 10.676 15.369 ( 0.630 -1.226 2.043) 2.465 24.071 ( 0.079 0.014 -0.792) 0.796 24.142 ( -2.042 -0.064 -1.916) 2.801 25.235 ( -2.007 -1.900 0.249) 2.775 25.368 ( -5.548 -1.049 2.494) 6.172 25.550 ( 5.306 6.907 -2.498) 9.061 25.768 ( -0.985 -4.117 -1.895) 4.638 26.121 ( 10.026 2.579 -4.819) 11.418 26.322 ( 7.513 -2.224 -13.840) 15.904 ======================= Grid point 101 (30/78) ======================= q-point: ( 0.43 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 10.788 -2.874 2.665) 11.478 1.031 ( 3.223 3.567 4.975) 6.918 1.291 ( -3.501 1.572 1.402) 4.086 1.375 ( -7.472 -1.273 1.981) 7.834 1.518 ( 0.413 0.196 -0.575) 0.735 1.554 ( -3.633 -3.763 0.553) 5.260 1.825 ( 1.508 2.167 0.145) 2.644 1.848 ( -0.706 -0.244 -1.424) 1.608 1.923 ( 0.849 0.764 -1.068) 1.564 1.967 ( -2.201 0.929 -0.385) 2.420 2.065 ( 1.841 -0.155 0.998) 2.099 2.086 ( -0.293 0.229 0.864) 0.940 2.123 ( 0.974 -0.236 -0.065) 1.004 2.164 ( -2.299 -0.648 -0.140) 2.393 2.374 ( 4.059 5.451 -2.040) 7.096 2.468 ( -4.158 -4.287 -1.997) 6.297 2.565 ( 5.172 0.514 3.757) 6.413 2.617 ( 0.582 -0.426 0.166) 0.740 2.724 ( 0.556 -2.509 -2.907) 3.880 2.775 ( -3.418 0.135 -2.050) 3.988 3.344 ( 15.899 -0.609 -2.234) 16.067 3.517 ( 5.364 10.845 0.150) 12.099 3.600 ( -0.849 -8.256 -3.312) 8.936 3.835 ( -17.051 -1.025 -5.307) 17.888 5.854 ( 16.727 -0.250 17.343) 24.096 6.230 ( -21.923 -0.289 14.271) 26.161 7.351 ( 13.485 -8.196 -3.672) 16.202 7.596 ( -9.915 6.989 -2.691) 12.425 7.820 ( 9.288 7.624 -8.112) 14.498 7.917 ( -2.000 -3.306 -1.547) 4.162 8.319 ( 5.594 0.067 7.759) 9.565 8.530 ( -14.207 -3.239 2.459) 14.778 10.317 ( 2.285 -2.032 -5.373) 6.182 10.376 ( -3.614 3.947 -4.403) 6.929 10.840 ( 4.708 -2.865 -4.237) 6.952 10.863 ( 2.541 1.266 -3.713) 4.675 13.023 ( 13.374 5.964 -5.567) 15.666 13.151 ( 7.699 -6.576 1.507) 10.237 13.431 ( -8.735 -6.938 -3.652) 11.737 13.536 ( -11.712 7.290 0.557) 13.807 14.235 ( 0.341 4.898 3.085) 5.799 14.301 ( -6.146 -3.513 1.558) 7.249 14.684 ( 4.033 -4.509 -0.433) 6.065 14.751 ( -2.870 3.750 -1.456) 4.941 15.242 ( 7.124 1.093 2.445) 7.611 15.343 ( -3.290 -1.426 2.279) 4.249 24.080 ( 0.885 0.049 -1.359) 1.623 24.105 ( -1.671 -0.082 -1.724) 2.403 25.226 ( 1.028 -1.543 0.749) 2.000 25.274 ( -3.857 0.839 1.366) 4.176 25.648 ( 4.677 5.918 -1.241) 7.644 25.726 ( -3.253 -5.333 -0.971) 6.322 26.297 ( 7.427 3.477 -8.285) 11.657 26.383 ( -1.003 -3.244 -11.877) 12.353 ======================= Grid point 106 (31/78) ======================= q-point: ( 0.14 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 5.599 4.338 9.565) 11.902 0.753 ( 3.808 5.865 13.891) 15.552 1.370 ( 4.576 5.539 5.330) 8.946 1.537 ( -0.910 -1.825 0.979) 2.262 1.605 ( -2.467 2.078 -1.022) 3.383 1.642 ( 4.891 1.038 0.248) 5.006 1.794 ( -2.453 0.806 3.443) 4.304 1.868 ( 0.433 -0.340 0.919) 1.072 1.931 ( -1.198 -2.152 -1.619) 2.947 2.005 ( -6.401 -6.462 -0.851) 9.135 2.068 ( 3.107 -3.926 -1.052) 5.116 2.091 ( -0.375 -0.852 1.156) 1.484 2.162 ( 0.066 -1.795 -0.052) 1.797 2.200 ( -0.934 -1.809 -0.296) 2.058 2.295 ( -1.198 1.885 1.509) 2.696 2.386 ( 2.232 2.074 0.113) 3.049 2.544 ( -2.720 -2.023 -0.743) 3.471 2.577 ( -1.923 1.318 0.055) 2.332 2.714 ( 0.350 6.109 -0.341) 6.128 2.768 ( 4.319 1.757 -4.090) 6.202 2.960 ( 3.904 3.104 2.624) 5.636 3.219 ( 2.627 -1.625 5.373) 6.198 3.702 ( 1.395 3.917 -1.661) 4.478 4.295 ( -5.637 -6.000 -4.835) 9.548 5.518 ( 2.680 3.118 19.747) 20.171 6.976 ( -9.873 -7.534 -3.348) 12.862 7.000 ( -7.164 3.655 -5.595) 9.798 7.229 ( 19.229 7.381 -14.356) 25.106 7.786 ( 2.838 -1.303 -5.013) 5.906 7.865 ( 1.801 2.322 -2.529) 3.877 8.507 ( -5.312 -2.435 11.862) 13.224 9.022 ( -9.262 -9.800 5.065) 14.404 10.282 ( 1.061 1.206 3.929) 4.244 10.470 ( 0.621 0.433 -1.025) 1.274 10.551 ( 10.110 3.573 0.656) 10.743 10.626 ( 0.638 7.626 -0.683) 7.683 12.642 ( 1.493 -0.181 -12.162) 12.254 12.842 ( 8.113 9.696 -5.020) 13.603 13.747 ( -7.182 -6.226 1.439) 9.613 13.863 ( -7.094 -6.386 -0.950) 9.592 14.371 ( 3.082 -4.836 1.615) 5.957 14.571 ( -1.584 0.863 0.580) 1.894 14.659 ( -4.228 3.350 -3.198) 6.271 14.779 ( 0.348 -2.670 -2.840) 3.913 14.898 ( 4.215 2.277 8.166) 9.467 15.350 ( 1.318 2.423 1.671) 3.225 24.061 ( -1.185 -1.187 -0.995) 1.950 24.175 ( -0.383 -0.339 -1.302) 1.399 25.271 ( -6.070 -2.402 -0.945) 6.596 25.348 ( -1.099 -2.255 0.686) 2.601 25.580 ( 6.782 -0.298 0.506) 6.807 25.794 ( -1.092 3.906 -3.784) 5.547 25.977 ( 7.074 4.871 -3.847) 9.411 26.224 ( 8.398 9.986 -11.450) 17.359 ======================= Grid point 107 (32/78) ======================= q-point: ( 0.29 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 6.082 7.179 9.225) 13.177 0.911 ( 11.364 3.041 7.721) 14.072 1.400 ( -2.014 0.571 0.421) 2.136 1.489 ( -4.589 -4.239 1.809) 6.504 1.523 ( -4.684 2.906 -1.825) 5.806 1.632 ( -4.459 3.163 -0.581) 5.497 1.813 ( 0.399 0.191 -0.020) 0.443 1.861 ( -0.565 0.039 -1.606) 1.703 1.929 ( -0.187 -2.031 -0.484) 2.096 1.976 ( 4.513 0.850 3.206) 5.601 2.084 ( -0.399 -2.175 0.564) 2.282 2.098 ( -0.949 -2.045 0.457) 2.300 2.115 ( -2.390 -1.709 0.498) 2.980 2.190 ( 0.481 1.703 -1.565) 2.362 2.370 ( 8.118 -2.871 4.245) 9.601 2.432 ( -1.417 0.088 0.698) 1.582 2.508 ( -1.826 1.168 -0.967) 2.373 2.520 ( 1.364 -1.179 -1.063) 2.093 2.708 ( -1.124 2.060 -1.603) 2.842 2.791 ( -0.494 -0.877 -1.890) 2.141 3.110 ( 9.981 4.601 -1.952) 11.162 3.308 ( 5.325 -8.155 1.635) 9.876 3.705 ( -0.750 6.455 0.255) 6.503 4.130 ( -10.990 -1.718 -5.280) 12.313 5.612 ( 6.791 1.899 17.134) 18.528 6.641 ( -17.064 -3.200 13.126) 21.764 7.044 ( 6.644 1.953 -13.151) 14.863 7.581 ( 13.142 1.868 -12.495) 18.230 7.814 ( -2.417 -4.993 -5.973) 8.151 7.931 ( 7.030 5.852 -1.542) 9.276 8.396 ( -4.011 6.760 8.191) 11.353 8.793 ( -13.419 -1.449 5.647) 14.631 10.287 ( -1.064 1.314 1.680) 2.384 10.536 ( 4.735 -3.445 -1.234) 5.984 10.610 ( -0.952 2.841 -3.422) 4.549 10.751 ( 9.292 0.123 -1.242) 9.375 12.719 ( 6.388 -5.919 -8.004) 11.828 13.045 ( 12.355 11.408 -3.596) 17.196 13.487 ( -15.819 -12.030 0.453) 19.879 13.809 ( -1.833 2.653 -1.450) 3.536 14.402 ( -4.009 -0.561 -0.340) 4.063 14.451 ( -4.640 -0.051 2.827) 5.434 14.583 ( -2.907 8.329 -0.994) 8.878 14.796 ( 0.713 -2.081 -1.278) 2.544 15.051 ( 9.728 -2.876 4.385) 11.052 15.355 ( -1.053 -0.163 2.407) 2.632 24.038 ( -1.082 -2.444 -2.240) 3.487 24.164 ( -0.646 1.462 -0.429) 1.655 25.175 ( -3.451 -3.596 -1.115) 5.107 25.321 ( -1.859 -3.111 3.068) 4.748 25.690 ( 3.910 4.656 -0.847) 6.139 25.746 ( -2.138 1.563 -1.174) 2.897 26.182 ( 11.650 4.831 -8.072) 14.974 26.358 ( 4.745 5.494 -13.065) 14.946 ======================= Grid point 108 (33/78) ======================= q-point: ( 0.43 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 8.106 4.352 5.882) 10.920 1.098 ( 5.071 1.575 3.228) 6.214 1.286 ( -7.841 -0.131 4.437) 9.011 1.381 ( -3.829 1.678 -0.655) 4.231 1.483 ( -0.234 -0.401 -0.540) 0.712 1.588 ( 0.708 3.265 -1.216) 3.555 1.810 ( 0.219 -3.168 -0.386) 3.199 1.836 ( -2.255 -1.117 -0.682) 2.607 1.920 ( -0.239 -1.174 -0.363) 1.252 1.995 ( -1.928 1.041 0.107) 2.193 2.075 ( -0.637 0.103 0.923) 1.127 2.087 ( 0.059 -0.987 0.396) 1.065 2.128 ( 2.087 0.996 0.955) 2.502 2.197 ( -0.012 4.441 -0.079) 4.442 2.360 ( -5.202 -6.008 -0.109) 7.948 2.472 ( 1.183 3.139 -1.449) 3.655 2.539 ( 5.844 -2.263 2.747) 6.843 2.604 ( 3.205 -0.945 -1.803) 3.797 2.691 ( 1.617 0.023 -1.201) 2.014 2.764 ( -2.517 -0.430 -0.571) 2.617 3.283 ( 3.665 -7.418 -2.759) 8.722 3.416 ( 8.967 -6.290 -4.873) 11.989 3.655 ( -6.775 3.389 0.741) 7.612 3.937 ( -5.452 8.505 -1.321) 10.188 5.747 ( 5.595 -6.181 12.169) 14.751 6.384 ( -8.065 11.815 15.776) 21.296 7.231 ( 11.924 -4.343 -8.177) 15.096 7.641 ( -8.020 -12.775 -2.540) 15.296 7.741 ( -1.119 6.197 -5.656) 8.464 8.058 ( 1.213 6.247 -9.053) 11.066 8.414 ( 6.066 6.599 0.146) 8.965 8.572 ( -7.220 9.860 12.049) 17.162 10.256 ( -1.436 -1.766 -2.350) 3.271 10.515 ( -4.043 7.753 -3.972) 9.604 10.686 ( 5.305 -10.388 -2.348) 11.898 10.884 ( 3.954 -1.257 -2.682) 4.941 12.869 ( 7.295 -12.035 -2.139) 14.235 13.204 ( -10.081 -12.308 -1.402) 15.971 13.287 ( 9.960 10.817 -3.576) 15.133 13.741 ( -5.205 9.841 -2.760) 11.469 14.274 ( -5.639 0.876 1.307) 5.854 14.390 ( -2.176 10.118 3.167) 10.823 14.588 ( 2.179 -4.520 -1.068) 5.131 14.799 ( -0.390 0.875 -0.025) 0.959 15.225 ( 7.520 -2.899 2.467) 8.429 15.306 ( -3.790 -2.243 2.610) 5.119 24.023 ( -0.415 -3.212 -2.974) 4.397 24.155 ( -0.239 2.564 0.034) 2.575 25.136 ( -0.596 -5.248 -0.790) 5.340 25.290 ( -1.000 -1.454 2.765) 3.280 25.667 ( -3.366 2.089 -0.991) 4.084 25.789 ( 3.659 4.233 -0.181) 5.598 26.352 ( 2.602 3.858 -12.702) 13.528 26.412 ( 3.334 5.180 -9.142) 11.024 ======================= Grid point 109 (34/78) ======================= q-point: (-0.43 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -5.938 2.777 5.720) 8.700 1.052 ( -7.895 5.616 3.090) 10.170 1.255 ( 8.816 -0.489 1.086) 8.896 1.398 ( 3.415 1.000 1.279) 3.781 1.496 ( 1.620 -1.053 -0.005) 1.932 1.654 ( 4.596 2.371 0.378) 5.185 1.767 ( -3.188 -1.570 0.475) 3.585 1.833 ( 1.060 -1.860 -0.867) 2.310 1.916 ( -0.698 0.114 -0.052) 0.709 1.972 ( -0.918 0.590 -0.522) 1.210 2.053 ( -1.244 -1.404 1.037) 2.143 2.092 ( 0.329 -0.381 0.823) 0.965 2.134 ( -1.895 0.776 -0.128) 2.051 2.213 ( 1.820 4.483 0.600) 4.875 2.262 ( -3.229 -5.021 -1.352) 6.121 2.524 ( -0.839 -1.615 -1.839) 2.588 2.548 ( 1.389 0.194 2.999) 3.311 2.603 ( -3.123 -0.546 -2.006) 3.752 2.729 ( 0.157 -1.676 -0.747) 1.842 2.797 ( 5.558 2.820 -0.675) 6.269 3.248 ( -4.213 -11.457 -1.787) 12.337 3.379 ( -15.025 -0.492 -3.196) 15.369 3.678 ( 9.976 1.277 -2.315) 10.321 3.954 ( 5.584 7.774 -0.133) 9.573 5.756 ( -4.876 -5.943 11.688) 13.990 6.391 ( 8.687 11.863 15.017) 21.017 7.453 ( -3.142 -4.659 -4.716) 7.336 7.475 ( 5.590 -7.340 -3.955) 10.038 7.643 ( -9.953 2.044 -10.069) 14.304 7.993 ( -4.323 3.085 -8.471) 9.998 8.475 ( -0.255 12.900 13.501) 18.675 8.619 ( 9.485 6.013 0.999) 11.275 10.249 ( 0.739 -3.403 -2.707) 4.411 10.447 ( -2.326 5.202 -1.651) 5.933 10.744 ( 0.204 -6.775 -3.806) 7.774 10.891 ( -3.164 -1.045 -3.426) 4.779 12.832 ( -8.829 -10.289 -2.960) 13.877 13.232 ( 9.189 -13.370 -0.405) 16.229 13.344 ( -4.882 8.638 -3.442) 10.502 13.700 ( 3.302 11.408 -2.533) 12.143 14.218 ( 0.191 3.047 2.256) 3.796 14.401 ( 3.239 6.644 1.631) 7.569 14.634 ( 2.317 -6.103 -1.580) 6.717 14.785 ( -0.863 4.243 0.876) 4.417 15.190 ( -7.344 -4.143 2.501) 8.795 15.345 ( 3.908 -1.550 2.379) 4.830 24.023 ( 0.420 -3.199 -3.031) 4.427 24.156 ( 0.307 2.562 0.109) 2.582 25.149 ( 1.851 -5.690 0.174) 5.986 25.291 ( 1.216 -1.311 1.342) 2.236 25.601 ( -3.144 2.838 -0.213) 4.241 25.845 ( 1.865 3.903 -0.862) 4.410 26.284 ( -6.993 3.781 -9.655) 12.507 26.472 ( 0.316 5.110 -11.756) 12.822 ======================= Grid point 110 (35/78) ======================= q-point: (-0.29 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -9.108 8.338 5.370) 13.465 0.893 ( -8.009 2.048 10.843) 13.634 1.418 ( 2.471 -1.407 -2.195) 3.592 1.475 ( 4.289 0.840 0.612) 4.413 1.582 ( 7.221 4.461 -0.257) 8.492 1.684 ( -2.127 -3.723 2.147) 4.795 1.744 ( 2.325 2.499 1.363) 3.676 1.865 ( 1.746 0.556 0.727) 1.972 1.882 ( -1.643 -3.452 0.232) 3.830 1.941 ( -1.471 -2.030 -1.435) 2.889 2.045 ( 0.377 -0.128 1.726) 1.771 2.081 ( -0.469 0.363 0.122) 0.606 2.117 ( 1.051 -0.931 1.326) 1.931 2.218 ( -0.838 1.973 -2.034) 2.955 2.281 ( 2.733 -1.940 1.175) 3.551 2.450 ( -4.328 1.619 1.996) 5.033 2.535 ( -1.611 -5.364 -1.297) 5.749 2.597 ( 0.173 0.856 -0.437) 0.977 2.757 ( 2.085 -0.461 -2.779) 3.504 2.826 ( -3.228 1.553 -0.817) 3.675 3.102 ( -11.347 5.971 -0.749) 12.844 3.197 ( -0.725 -6.684 1.873) 6.979 3.761 ( -0.837 3.868 -0.360) 3.974 4.127 ( 10.507 -1.723 -4.704) 11.640 5.623 ( -7.208 1.868 16.296) 17.916 6.651 ( 16.658 -3.404 11.619) 20.593 7.267 ( -12.974 -6.098 -12.244) 18.853 7.396 ( -10.862 10.905 -13.234) 20.299 7.678 ( 8.359 -1.420 -4.141) 9.436 7.928 ( -3.122 1.816 -3.934) 5.341 8.479 ( 0.622 6.716 13.314) 14.925 8.813 ( 10.682 -1.540 2.267) 11.028 10.276 ( 1.511 -0.466 0.271) 1.605 10.437 ( 1.272 1.266 1.819) 2.555 10.684 ( -6.319 -0.305 -3.935) 7.450 10.780 ( -7.600 -0.012 -2.832) 8.110 12.686 ( -5.145 -4.307 -8.078) 10.501 13.079 ( -13.875 9.656 -3.371) 17.237 13.527 ( 14.148 -13.615 0.512) 19.642 13.783 ( 3.747 3.541 -0.989) 5.249 14.275 ( 4.837 4.225 1.708) 6.646 14.494 ( 5.608 0.064 0.247) 5.614 14.670 ( 1.424 -0.582 -1.529) 2.169 14.775 ( -0.223 4.501 -0.851) 4.586 15.023 ( -9.279 -4.268 4.833) 11.299 15.381 ( -0.169 -0.442 2.125) 2.177 24.038 ( 1.076 -2.430 -2.325) 3.531 24.165 ( 0.607 1.439 -0.323) 1.595 25.203 ( 3.600 -4.914 0.744) 6.137 25.324 ( 1.557 -3.738 0.004) 4.050 25.562 ( -0.403 6.693 0.363) 6.715 25.851 ( -1.345 1.517 -1.984) 2.837 26.122 ( -8.936 5.318 -6.328) 12.173 26.404 ( -7.190 5.013 -13.877) 16.413 ======================= Grid point 114 (36/78) ======================= q-point: ( 0.29 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 4.078 7.379 10.813) 13.712 0.998 ( 9.329 6.968 3.590) 12.185 1.404 ( 0.150 -2.061 -1.956) 2.845 1.412 ( -5.757 -1.438 2.206) 6.331 1.572 ( -3.749 1.859 -1.250) 4.367 1.674 ( -1.773 -8.787 1.836) 9.150 1.745 ( -1.882 -0.185 0.630) 1.993 1.847 ( -2.206 -0.995 2.833) 3.726 1.884 ( 0.620 -1.217 -1.741) 2.213 1.963 ( 5.647 -0.904 -1.234) 5.850 2.032 ( -0.673 -0.543 1.533) 1.760 2.086 ( -1.901 -1.198 1.673) 2.801 2.106 ( 2.178 1.845 1.072) 3.049 2.225 ( -0.211 0.076 -2.660) 2.669 2.314 ( 2.163 -1.771 1.152) 3.023 2.413 ( -1.222 -0.032 1.305) 1.788 2.533 ( 3.601 3.389 1.715) 5.234 2.597 ( -0.387 3.816 -1.816) 4.244 2.694 ( -4.753 -3.313 -0.785) 5.847 2.843 ( -0.003 5.380 -0.974) 5.467 3.124 ( -0.994 -6.549 -0.573) 6.649 3.235 ( 6.432 5.352 -3.876) 9.222 3.772 ( -2.903 -1.213 2.602) 4.083 4.093 ( -1.337 -1.420 -0.933) 2.162 5.659 ( 1.797 2.632 9.387) 9.913 6.603 ( -1.118 -0.591 15.003) 15.057 7.136 ( -3.562 5.972 -15.049) 16.578 7.525 ( -4.058 -8.501 -8.253) 12.524 7.736 ( 9.307 0.934 -8.621) 12.721 8.037 ( 8.489 3.893 -6.817) 11.563 8.539 ( -1.762 5.682 1.594) 6.159 8.802 ( 1.877 2.878 10.415) 10.968 10.305 ( 2.145 -2.603 5.530) 6.478 10.419 ( -1.966 -1.641 1.027) 2.758 10.721 ( 0.754 1.273 -5.165) 5.373 10.749 ( 0.258 3.149 -0.785) 3.256 12.638 ( -0.669 -1.889 -5.721) 6.061 13.184 ( -7.857 -7.530 -0.135) 10.883 13.336 ( 3.484 6.423 -4.663) 8.669 13.852 ( 3.668 2.150 -2.535) 4.949 14.371 ( 3.853 -2.867 -0.751) 4.861 14.434 ( -4.334 0.861 1.149) 4.565 14.672 ( 1.032 -3.521 -1.532) 3.976 14.854 ( -2.252 9.472 -0.530) 9.751 14.982 ( 5.061 -3.084 7.021) 9.188 15.343 ( -3.501 -1.619 2.331) 4.507 23.995 ( -1.791 -1.778 -3.535) 4.343 24.185 ( 0.625 0.686 0.858) 1.264 25.102 ( -4.641 -3.796 -1.313) 6.138 25.269 ( -2.075 -2.002 2.885) 4.079 25.704 ( 6.918 -0.823 0.066) 6.967 25.814 ( -3.638 3.611 -1.135) 5.250 26.309 ( 11.311 7.244 -9.035) 16.188 26.487 ( 3.067 6.458 -13.559) 15.328 ======================= Grid point 115 (37/78) ======================= q-point: ( 0.43 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 5.814 6.811 7.957) 11.980 1.126 ( 3.640 3.127 1.383) 4.994 1.303 ( -4.494 1.471 5.526) 7.273 1.416 ( -0.115 1.753 0.103) 1.760 1.501 ( -3.504 1.527 -0.361) 3.839 1.625 ( -0.861 -0.547 -0.181) 1.036 1.704 ( -1.548 -8.441 2.952) 9.075 1.802 ( -1.350 -1.974 2.488) 3.451 1.900 ( 1.196 -0.442 -2.105) 2.461 1.997 ( -0.854 -1.754 -0.208) 1.962 2.033 ( -0.515 -2.308 -0.121) 2.368 2.058 ( -0.867 -2.285 1.059) 2.664 2.161 ( 1.727 2.000 0.829) 2.769 2.253 ( -0.916 -3.267 -1.071) 3.558 2.263 ( 0.214 1.023 -0.795) 1.313 2.492 ( 0.756 -2.084 0.758) 2.343 2.534 ( -0.547 4.037 2.706) 4.891 2.636 ( 1.962 0.090 1.478) 2.458 2.658 ( 3.377 1.081 -3.973) 5.325 2.827 ( -0.951 5.462 -0.344) 5.554 3.103 ( -1.802 -8.891 -1.742) 9.237 3.367 ( 7.119 -0.590 -8.533) 11.129 3.661 ( -7.072 -2.549 6.581) 9.991 4.086 ( 0.304 6.433 3.044) 7.123 5.691 ( 1.302 0.159 3.574) 3.807 6.598 ( 0.200 9.543 15.504) 18.206 7.160 ( 5.746 -3.448 -12.483) 14.168 7.385 ( -8.166 -12.738 -8.019) 17.124 7.878 ( 3.354 8.333 -8.719) 12.518 8.134 ( -0.934 3.025 -13.400) 13.769 8.506 ( 1.913 1.753 -3.252) 4.160 8.864 ( 2.891 17.495 16.203) 24.020 10.262 ( -4.350 1.897 3.344) 5.806 10.462 ( 3.810 -11.274 1.331) 11.974 10.660 ( -2.579 6.314 -1.436) 6.969 10.823 ( 2.999 -4.318 -0.247) 5.263 12.655 ( 1.618 -9.571 -2.022) 9.916 12.982 ( -7.576 -10.203 -1.635) 12.813 13.469 ( 5.428 7.476 -7.739) 12.051 13.907 ( 1.365 7.381 -3.999) 8.505 14.329 ( -3.088 4.319 0.074) 5.310 14.468 ( 3.756 -3.405 0.592) 5.104 14.635 ( -5.400 9.489 -0.075) 10.918 14.813 ( 1.281 2.232 4.246) 4.965 15.137 ( 8.073 -6.142 2.770) 10.515 15.247 ( -6.279 -4.233 2.428) 7.952 23.972 ( -0.620 -1.984 -4.103) 4.600 24.192 ( 0.180 1.320 1.313) 1.871 25.040 ( -1.569 -4.514 -1.702) 5.073 25.243 ( -0.690 -2.465 3.527) 4.358 25.746 ( -3.067 4.618 -0.665) 5.583 25.810 ( 3.906 -0.912 -0.186) 4.016 26.481 ( 3.519 7.666 -12.583) 15.148 26.520 ( 2.266 5.702 -10.731) 12.361 ======================= Grid point 116 (38/78) ======================= q-point: (-0.43 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -4.133 4.452 7.295) 9.493 1.154 ( -6.230 4.051 2.061) 7.712 1.314 ( 7.569 6.702 3.573) 10.723 1.403 ( 0.538 -1.040 1.943) 2.269 1.477 ( 3.076 -0.902 1.475) 3.528 1.609 ( -1.801 -4.530 -0.814) 4.943 1.749 ( 4.515 -4.081 4.052) 7.311 1.792 ( 0.378 -2.203 0.828) 2.384 1.913 ( -0.740 -0.174 -2.254) 2.379 1.968 ( -1.611 -1.468 -1.109) 2.445 2.022 ( 0.001 -0.722 0.673) 0.987 2.058 ( 1.052 -2.625 1.470) 3.188 2.165 ( -2.820 2.584 0.483) 3.855 2.195 ( 0.430 -0.936 -0.766) 1.283 2.314 ( 0.769 2.051 -1.667) 2.752 2.439 ( -2.822 -2.068 0.769) 3.582 2.558 ( 2.038 1.059 1.927) 2.998 2.656 ( -3.027 4.238 -3.125) 6.074 2.665 ( -0.407 -3.972 1.615) 4.307 2.875 ( 3.841 4.197 -0.218) 5.693 3.058 ( -1.498 -7.542 -1.729) 7.882 3.375 ( -7.291 -0.415 -7.806) 10.690 3.661 ( 7.748 -3.013 5.797) 10.135 4.087 ( -0.283 6.052 3.291) 6.895 5.697 ( -0.915 -0.247 3.348) 3.479 6.602 ( 0.028 9.264 15.085) 17.703 7.247 ( -5.950 -10.854 -11.359) 16.799 7.326 ( 10.479 -8.115 -9.021) 16.032 7.829 ( -6.663 12.400 -10.311) 17.449 8.088 ( -1.992 6.068 -10.712) 12.471 8.570 ( 2.137 -2.442 -3.772) 4.976 8.871 ( -2.491 17.187 15.773) 23.460 10.229 ( 1.847 1.231 1.912) 2.930 10.464 ( -3.031 -5.890 4.944) 8.266 10.676 ( 3.193 2.210 -3.062) 4.945 10.829 ( -2.445 -4.465 -0.885) 5.167 12.647 ( -2.058 -8.613 -2.344) 9.161 12.987 ( 7.812 -10.929 -1.366) 13.503 13.486 ( -4.320 5.773 -7.581) 10.463 13.896 ( -2.070 8.545 -3.664) 9.525 14.317 ( 1.752 5.753 0.179) 6.017 14.484 ( -3.365 -3.336 -1.449) 4.955 14.590 ( 3.236 7.119 2.806) 8.308 14.871 ( 3.847 5.159 2.782) 7.011 15.085 ( -9.284 -6.640 2.989) 11.799 15.278 ( 5.249 -5.455 2.376) 7.934 23.972 ( 0.626 -1.991 -4.119) 4.617 24.193 ( -0.154 1.290 1.339) 1.866 25.043 ( 1.839 -4.879 -1.484) 5.421 25.243 ( 0.726 -2.533 3.206) 4.150 25.704 ( -1.115 5.967 -0.283) 6.077 25.850 ( 0.121 -2.041 -0.596) 2.130 26.435 ( -5.294 9.718 -10.920) 15.547 26.563 ( -0.747 3.989 -12.230) 12.885 ======================= Grid point 122 (39/78) ======================= q-point: ( 0.43 0.43 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 3.307 2.599 4.193) 5.939 1.229 ( 5.326 5.630 4.268) 8.848 1.354 ( -3.070 4.172 5.553) 7.594 1.451 ( -1.665 1.358 2.934) 3.636 1.457 ( 2.191 -11.821 7.149) 13.987 1.535 ( 1.004 2.209 1.209) 2.711 1.632 ( -5.842 -1.282 2.171) 6.363 1.731 ( -3.344 -4.723 2.365) 6.251 1.912 ( 0.158 1.316 -2.906) 3.194 1.940 ( -1.060 -2.390 -2.365) 3.525 2.020 ( -0.713 -0.817 0.532) 1.208 2.024 ( -0.071 -0.115 0.899) 0.909 2.183 ( 0.097 0.245 -1.647) 1.668 2.237 ( 3.445 0.872 -0.800) 3.643 2.276 ( -2.699 0.338 -1.303) 3.016 2.440 ( -1.323 -2.495 1.567) 3.229 2.602 ( 2.717 -0.045 2.317) 3.571 2.612 ( -1.057 1.995 3.387) 4.071 2.743 ( 3.986 4.006 -4.083) 6.972 2.919 ( -0.572 2.737 -0.998) 2.969 2.964 ( -1.606 -4.743 -1.298) 5.173 3.372 ( 0.326 0.659 -12.256) 12.278 3.589 ( -3.196 -3.322 13.641) 14.399 4.177 ( 2.679 2.637 5.058) 6.302 5.715 ( 1.116 1.208 -1.557) 2.264 6.731 ( 3.716 3.765 15.207) 16.101 7.115 ( -1.958 -0.141 -14.064) 14.200 7.178 ( -6.304 -7.851 -12.180) 15.803 8.062 ( 9.701 9.168 -12.781) 18.480 8.176 ( 1.760 0.619 -14.973) 15.089 8.470 ( -5.548 -4.177 -5.997) 9.175 9.148 ( 9.127 9.312 16.729) 21.211 10.273 ( 1.905 -3.223 5.723) 6.839 10.311 ( -6.195 -1.248 5.372) 8.294 10.745 ( 1.468 0.249 1.176) 1.897 10.759 ( -0.949 0.231 2.410) 2.600 12.521 ( -3.748 -3.782 -2.158) 5.746 12.835 ( -4.297 -4.282 -2.477) 6.553 13.566 ( 2.381 2.537 -11.213) 11.741 14.013 ( 3.207 3.096 -4.456) 6.303 14.397 ( 1.215 0.246 -1.270) 1.775 14.413 ( -1.235 0.009 -0.936) 1.550 14.771 ( 9.082 5.637 4.317) 11.528 14.941 ( -6.218 7.976 6.812) 12.194 14.998 ( 6.733 -6.229 0.603) 9.192 15.139 ( -8.767 -6.851 1.989) 11.303 23.947 ( -0.641 -0.640 -4.678) 4.765 24.208 ( 0.379 0.384 1.863) 1.939 24.975 ( -1.925 -1.897 -2.064) 3.400 25.210 ( -0.882 -0.879 3.988) 4.178 25.794 ( 2.876 -0.246 -0.378) 2.911 25.808 ( -1.722 1.385 -0.515) 2.269 26.589 ( 5.106 3.329 -11.759) 13.245 26.613 ( 0.879 2.621 -12.383) 12.688 ======================= Grid point 147 (40/78) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 0.000 0.000 9.931) 9.931 0.876 ( 0.000 0.000 9.931) 9.931 1.524 ( 0.000 -0.000 -2.986) 2.986 1.524 ( 0.000 -0.000 -2.986) 2.986 1.535 ( -0.000 0.000 10.789) 10.789 1.585 ( -0.000 0.000 0.330) 0.330 1.896 ( 0.000 0.000 1.944) 1.944 1.896 ( 0.000 -0.000 1.944) 1.944 2.034 ( 0.000 0.000 -4.385) 4.385 2.034 ( 0.000 0.000 -4.385) 4.385 2.045 ( 0.000 0.000 4.002) 4.002 2.096 ( -0.000 0.000 0.367) 0.367 2.164 ( 0.000 0.000 2.247) 2.247 2.268 ( -0.000 0.000 1.168) 1.168 2.268 ( 0.000 0.000 1.168) 1.168 2.367 ( 0.000 0.000 -0.722) 0.722 2.564 ( 0.000 0.000 -0.385) 0.385 2.602 ( 0.000 0.000 -2.413) 2.413 2.643 ( 0.000 0.000 0.653) 0.653 2.643 ( 0.000 -0.000 0.653) 0.653 3.058 ( 0.000 0.000 8.363) 8.363 3.323 ( 0.000 0.000 7.889) 7.889 3.631 ( 0.000 0.000 -0.695) 0.695 4.335 ( -0.000 0.000 -6.174) 6.174 5.929 ( -0.000 0.000 23.004) 23.004 6.551 ( 0.000 0.000 -13.515) 13.515 6.551 ( 0.000 0.000 -13.515) 13.515 7.407 ( 0.000 0.000 -5.045) 5.045 7.647 ( 0.000 -0.000 -7.529) 7.529 7.647 ( 0.000 0.000 -7.529) 7.529 8.884 ( 0.000 0.000 13.559) 13.559 9.449 ( 0.000 0.000 7.179) 7.179 10.299 ( 0.000 0.000 1.941) 1.941 10.299 ( 0.000 0.000 1.941) 1.941 10.602 ( 0.000 0.000 5.317) 5.317 10.602 ( -0.000 0.000 5.317) 5.317 12.312 ( -0.000 0.000 -13.238) 13.238 12.531 ( -0.000 0.000 -9.191) 9.191 13.830 ( 0.000 0.000 0.914) 0.914 14.037 ( 0.000 0.000 -4.304) 4.304 14.477 ( 0.000 0.000 2.122) 2.122 14.477 ( 0.000 0.000 2.122) 2.122 14.727 ( 0.000 0.000 -4.169) 4.169 14.727 ( -0.000 0.000 -4.169) 4.169 14.989 ( 0.000 0.000 9.129) 9.129 15.281 ( -0.000 0.000 0.246) 0.246 24.082 ( 0.000 0.000 0.036) 0.036 24.153 ( 0.000 0.000 -2.011) 2.011 25.295 ( 0.000 0.000 -3.864) 3.864 25.295 ( 0.000 0.000 -3.864) 3.864 25.520 ( 0.000 0.000 1.856) 1.856 25.763 ( 0.000 0.000 -2.627) 2.627 25.890 ( 0.000 -0.000 -0.148) 0.148 25.890 ( 0.000 0.000 -0.148) 0.148 ======================= Grid point 148 (41/78) ======================= q-point: ( 0.14 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 0.184 1.717 10.988) 11.123 0.928 ( 5.059 -1.860 9.624) 11.030 1.431 ( -2.443 -0.580 1.249) 2.805 1.499 ( -2.980 1.429 -2.663) 4.244 1.578 ( -0.499 -1.542 0.143) 1.627 1.678 ( 7.274 0.694 2.599) 7.756 1.836 ( -6.263 -1.400 0.967) 6.490 1.899 ( -0.911 -0.897 1.374) 1.876 1.947 ( -1.148 0.104 0.522) 1.265 1.997 ( -2.803 3.484 -2.774) 5.262 2.096 ( -0.292 0.424 -0.044) 0.517 2.130 ( 0.149 -0.225 1.111) 1.143 2.136 ( 0.549 -1.262 1.654) 2.151 2.216 ( -4.833 1.273 -1.075) 5.112 2.340 ( 3.988 -0.842 0.012) 4.076 2.389 ( 3.397 -0.809 1.920) 3.985 2.519 ( -4.875 2.812 -1.848) 5.923 2.576 ( 0.553 -1.850 -0.445) 1.981 2.662 ( 0.772 -0.138 -0.196) 0.809 2.695 ( 3.920 -1.131 -0.509) 4.112 3.048 ( 0.083 -0.007 7.732) 7.732 3.356 ( 3.055 1.501 6.664) 7.482 3.631 ( -0.218 -0.976 -1.116) 1.498 4.239 ( -9.414 -0.013 -7.462) 12.013 5.919 ( 0.817 0.157 21.758) 21.773 6.661 ( 10.774 -6.719 -11.657) 17.237 6.765 ( 18.663 6.597 -12.784) 23.563 7.226 ( -14.832 -0.068 -1.408) 14.898 7.656 ( 0.729 -0.531 -6.969) 7.027 7.728 ( 5.617 1.159 -7.351) 9.324 8.813 ( -6.820 -0.874 14.342) 15.905 9.270 ( -15.370 0.082 8.094) 17.371 10.277 ( -2.466 1.270 -0.281) 2.788 10.431 ( 9.962 -1.774 -0.811) 10.152 10.559 ( -4.014 1.141 3.260) 5.296 10.639 ( 3.751 -0.435 3.673) 5.268 12.384 ( 7.619 0.468 -11.207) 13.560 12.627 ( 9.553 -0.502 -7.366) 12.073 13.807 ( -2.628 -0.111 0.541) 2.685 13.923 ( -10.507 -0.377 -2.629) 10.838 14.449 ( -3.485 5.712 1.734) 6.912 14.509 ( 1.782 -5.213 0.958) 5.592 14.647 ( -6.082 -1.300 -1.738) 6.458 14.725 ( 0.275 1.437 -4.081) 4.335 15.042 ( 5.078 0.130 7.876) 9.372 15.328 ( 3.629 -0.251 -0.433) 3.664 24.071 ( -0.919 0.072 -0.208) 0.945 24.138 ( -1.492 -0.094 -2.015) 2.510 25.267 ( -2.169 -2.818 -2.077) 4.118 25.359 ( 5.815 3.651 -4.266) 8.083 25.515 ( -2.754 -0.039 1.811) 3.297 25.726 ( -0.167 -0.314 -1.232) 1.282 25.926 ( 3.834 -1.296 -1.194) 4.220 25.982 ( 6.655 0.851 -4.373) 8.009 ======================= Grid point 149 (42/78) ======================= q-point: ( 0.29 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 3.062 1.179 10.066) 10.587 1.053 ( 7.282 -1.111 8.773) 11.455 1.402 ( -6.407 -0.767 -1.871) 6.718 1.422 ( 0.193 0.709 -1.235) 1.437 1.547 ( -2.672 -0.672 0.026) 2.756 1.728 ( -4.525 -1.252 1.260) 4.861 1.801 ( 4.101 -0.354 2.026) 4.588 1.847 ( -3.548 -2.660 1.041) 4.555 1.924 ( -2.972 1.515 -1.042) 3.495 1.971 ( 1.260 2.433 0.073) 2.741 2.075 ( -2.546 2.330 -0.216) 3.458 2.104 ( -0.142 0.813 0.879) 1.205 2.118 ( -0.830 -0.436 -0.121) 0.946 2.174 ( -0.260 -0.646 -0.523) 0.870 2.333 ( -3.944 3.751 -1.412) 5.624 2.457 ( 1.033 0.972 -0.033) 1.419 2.516 ( 4.801 -4.118 -3.802) 7.381 2.586 ( 0.786 -2.004 1.565) 2.662 2.669 ( 0.181 0.367 -1.180) 1.249 2.758 ( 1.760 -1.667 -1.280) 2.741 3.115 ( 7.658 -0.284 5.086) 9.198 3.429 ( 4.401 6.509 3.621) 8.652 3.610 ( -2.236 -4.293 -1.921) 5.208 4.001 ( -14.450 -0.689 -8.531) 16.794 5.999 ( 7.476 -0.003 20.261) 21.597 6.830 ( -13.782 0.186 3.504) 14.222 6.956 ( 13.222 -8.180 -5.889) 16.626 7.216 ( 20.368 7.420 -12.060) 24.807 7.656 ( -1.545 2.225 -5.738) 6.345 7.816 ( 2.768 2.059 -6.898) 7.713 8.658 ( -7.933 -5.237 15.965) 18.581 8.949 ( -16.419 0.858 8.930) 18.710 10.217 ( -2.785 0.667 -4.117) 5.015 10.428 ( -7.182 1.507 -0.574) 7.360 10.625 ( 7.543 -0.855 -4.613) 8.883 10.723 ( 4.009 -0.441 -1.438) 4.282 12.608 ( 15.214 2.227 -6.669) 16.760 12.877 ( 15.525 -2.536 -3.841) 16.193 13.658 ( -15.010 -4.783 -1.485) 15.824 13.727 ( -7.650 4.080 -0.349) 8.677 14.354 ( -5.098 6.028 2.284) 8.219 14.448 ( -6.844 -3.195 0.128) 7.554 14.622 ( 2.783 -4.427 0.782) 5.287 14.734 ( 0.152 2.937 -3.096) 4.270 15.164 ( 6.942 0.461 4.940) 8.533 15.380 ( 1.273 -0.863 -0.438) 1.599 24.055 ( -0.586 0.346 -0.785) 1.039 24.103 ( -1.901 -0.422 -1.940) 2.748 25.234 ( -0.920 -3.861 -0.254) 3.977 25.409 ( -6.008 5.282 1.057) 8.069 25.491 ( 6.562 1.306 -2.719) 7.222 25.741 ( -0.034 -2.084 -0.776) 2.224 26.034 ( 6.636 -0.413 -4.065) 7.793 26.105 ( 5.592 -0.109 -8.294) 10.004 ======================= Grid point 150 (43/78) ======================= q-point: ( 0.43 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 7.274 -0.485 6.086) 9.496 1.135 ( -2.901 1.086 5.314) 6.151 1.325 ( 2.681 1.184 2.112) 3.612 1.412 ( -2.427 0.055 1.018) 2.633 1.510 ( 0.054 1.264 -0.142) 1.273 1.591 ( -8.099 -6.169 3.067) 10.633 1.818 ( 0.360 -1.340 -1.137) 1.794 1.828 ( -0.358 3.052 0.318) 3.089 1.916 ( 1.746 0.592 0.358) 1.878 1.965 ( -2.495 0.733 -0.067) 2.601 2.074 ( 2.294 -0.707 -0.163) 2.406 2.101 ( -0.395 1.094 0.537) 1.282 2.123 ( 0.945 0.567 0.015) 1.102 2.164 ( -2.039 -1.534 0.210) 2.561 2.303 ( 2.938 5.537 -4.848) 7.924 2.405 ( -5.575 -3.722 -3.780) 7.696 2.602 ( 3.287 -1.352 -1.881) 4.021 2.624 ( 1.583 0.094 1.719) 2.339 2.679 ( 1.932 0.243 -1.316) 2.350 2.746 ( -2.941 -0.889 -0.859) 3.190 3.327 ( 12.901 -0.597 0.036) 12.915 3.530 ( 1.192 9.896 1.071) 10.025 3.531 ( -1.444 -4.571 -3.609) 6.000 3.718 ( -13.548 -4.275 -6.249) 15.520 6.200 ( 13.115 -0.331 17.125) 21.572 6.494 ( -17.088 0.570 12.130) 20.963 7.278 ( 16.502 -8.744 -3.655) 19.029 7.522 ( -3.156 5.534 -4.872) 8.020 7.617 ( 9.265 6.458 -10.681) 15.544 7.802 ( -5.093 0.321 -8.594) 9.995 8.567 ( -0.071 -8.207 15.354) 17.410 8.676 ( -10.883 3.971 11.392) 16.248 10.203 ( 1.803 -0.768 -6.014) 6.325 10.287 ( -6.523 1.893 -4.503) 8.149 10.735 ( 3.721 0.138 -6.396) 7.401 10.768 ( 0.352 -0.622 -5.675) 5.720 12.943 ( 18.517 4.135 -2.488) 19.135 13.175 ( 10.295 -4.860 0.430) 11.392 13.354 ( -11.655 -4.719 -3.603) 13.080 13.525 ( -13.279 5.080 -1.538) 14.300 14.294 ( -0.635 4.044 2.700) 4.904 14.332 ( -4.385 -2.928 1.788) 5.568 14.681 ( 2.785 -4.652 -0.231) 5.427 14.722 ( -1.395 4.063 -1.522) 4.558 15.289 ( 5.607 0.892 2.263) 6.112 15.369 ( -2.469 -1.124 0.526) 2.763 24.053 ( 0.395 0.621 -1.334) 1.524 24.070 ( -1.373 -0.670 -1.714) 2.296 25.240 ( 1.682 -4.203 0.698) 4.581 25.301 ( -4.604 4.215 1.278) 6.371 25.614 ( 5.764 3.395 -2.117) 7.016 25.706 ( -3.507 -3.158 -1.093) 4.844 26.146 ( 4.147 1.174 -6.756) 8.014 26.175 ( 1.216 -1.344 -8.763) 8.949 ======================= Grid point 155 (44/78) ======================= q-point: ( 0.14 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 2.294 0.616 8.926) 9.237 1.001 ( 3.746 5.773 10.877) 12.871 1.400 ( -1.353 -0.995 -0.763) 1.845 1.534 ( 1.497 -1.731 -1.793) 2.907 1.574 ( -2.909 2.274 -0.441) 3.719 1.680 ( 1.655 -0.334 1.624) 2.342 1.846 ( -5.664 2.110 -1.344) 6.192 1.867 ( -0.174 -1.674 1.390) 2.183 1.924 ( 0.663 -2.343 0.506) 2.487 1.992 ( -0.718 -6.169 -0.350) 6.220 2.063 ( 0.943 -0.768 0.352) 1.266 2.117 ( -0.973 -1.070 1.407) 2.017 2.154 ( 0.096 2.611 0.233) 2.624 2.216 ( -2.242 -4.559 0.814) 5.145 2.314 ( 1.680 3.473 -0.148) 3.861 2.400 ( 1.180 0.259 1.833) 2.195 2.514 ( -0.968 -2.281 -2.101) 3.249 2.580 ( -1.363 0.794 0.179) 1.588 2.693 ( 3.119 2.724 -1.907) 4.559 2.723 ( 0.374 4.072 -0.000) 4.089 3.046 ( 0.722 0.779 6.329) 6.417 3.319 ( -0.705 -4.520 4.550) 6.452 3.684 ( 2.823 4.867 -0.296) 5.634 4.174 ( -6.418 -6.288 -7.299) 11.576 5.928 ( 1.375 1.141 20.981) 21.057 6.700 ( 1.534 9.569 -12.197) 15.578 6.938 ( 18.002 10.350 -11.237) 23.611 7.112 ( -9.794 -9.712 1.173) 13.843 7.646 ( -0.046 -0.541 -8.409) 8.427 7.782 ( 4.748 2.796 -5.436) 7.740 8.753 ( -7.093 -4.012 12.840) 15.207 9.161 ( -9.438 -9.685 8.694) 16.077 10.354 ( 6.204 -1.842 2.563) 6.961 10.422 ( -1.947 7.144 -3.672) 8.265 10.566 ( 0.876 -2.378 0.896) 2.688 10.639 ( 1.027 2.548 2.127) 3.474 12.409 ( 4.152 2.971 -10.237) 11.440 12.740 ( 10.012 11.338 -5.916) 16.242 13.755 ( -8.416 -7.096 -0.330) 11.013 13.843 ( -4.872 -5.193 -1.106) 7.206 14.408 ( 0.839 -4.830 1.856) 5.241 14.586 ( -1.620 -2.074 0.863) 2.769 14.600 ( -3.187 5.233 -2.868) 6.765 14.712 ( 1.733 -1.982 -3.224) 4.162 15.065 ( 2.805 2.404 7.877) 8.700 15.356 ( 1.798 2.508 -0.654) 3.154 24.038 ( -2.503 -2.615 -1.319) 3.853 24.152 ( 0.643 0.821 -1.026) 1.464 25.231 ( -5.480 -1.132 -2.572) 6.158 25.353 ( 3.048 -1.879 -0.421) 3.605 25.588 ( 5.026 1.814 0.314) 5.352 25.728 ( 0.022 2.915 -2.479) 3.827 25.919 ( 1.584 2.708 -2.090) 3.770 26.061 ( 5.724 5.393 -6.062) 9.929 ======================= Grid point 156 (45/78) ======================= q-point: ( 0.29 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 5.535 4.380 7.558) 10.342 1.086 ( 6.176 3.598 9.451) 11.850 1.385 ( -1.310 -0.397 -1.661) 2.152 1.471 ( -5.469 1.620 -2.346) 6.167 1.533 ( -1.951 -0.992 1.282) 2.536 1.656 ( -5.837 -1.619 3.388) 6.940 1.797 ( 0.500 -0.222 -1.898) 1.976 1.824 ( -1.109 0.245 -1.244) 1.684 1.930 ( -0.430 -0.937 0.355) 1.091 2.014 ( 2.126 1.787 0.111) 2.779 2.083 ( -1.769 -4.258 -0.720) 4.667 2.106 ( 0.628 -0.227 0.377) 0.767 2.129 ( -1.798 1.342 1.044) 2.475 2.170 ( 0.282 0.244 -0.791) 0.874 2.412 ( -1.927 2.614 -1.763) 3.695 2.434 ( 6.988 -1.175 -1.260) 7.197 2.496 ( -0.995 -4.833 1.511) 5.161 2.523 ( -0.737 3.089 1.439) 3.486 2.696 ( -1.197 2.691 0.302) 2.961 2.755 ( 1.487 0.337 -1.463) 2.113 3.108 ( 5.828 0.176 1.872) 6.124 3.325 ( 0.264 -10.639 -0.096) 10.643 3.714 ( 0.282 8.129 0.625) 8.158 4.017 ( -8.866 2.315 -5.936) 10.918 5.970 ( 2.738 -2.922 18.409) 18.840 6.818 ( 5.046 0.581 -6.126) 7.958 6.871 ( -5.950 -1.783 6.559) 9.033 7.321 ( 17.040 3.202 -13.262) 21.829 7.656 ( -0.223 -2.954 -9.518) 9.968 7.858 ( 2.250 1.487 -5.383) 6.021 8.575 ( -9.540 -2.591 9.531) 13.732 8.976 ( -8.277 2.922 12.367) 15.166 10.303 ( -5.620 7.442 -0.627) 9.347 10.507 ( -3.066 5.350 -3.199) 6.947 10.539 ( 5.350 -6.712 -1.792) 8.769 10.721 ( 5.555 -0.206 -1.700) 5.813 12.564 ( 11.725 -4.325 -6.707) 14.184 12.978 ( 13.889 10.561 -3.878) 17.874 13.488 ( -16.733 -11.430 -0.159) 20.265 13.777 ( -3.703 0.964 -1.693) 4.184 14.396 ( -4.284 -1.906 0.063) 4.689 14.500 ( -2.192 3.120 1.847) 4.236 14.559 ( -2.318 2.188 -1.134) 3.383 14.769 ( 2.747 0.920 -1.717) 3.367 15.153 ( 6.035 -1.345 5.508) 8.280 15.373 ( -0.344 -0.030 -0.189) 0.394 23.993 ( -1.956 -3.925 -2.211) 4.911 24.156 ( -0.122 3.060 -0.432) 3.093 25.149 ( -2.915 -4.357 -1.451) 5.440 25.375 ( -0.861 -3.384 2.291) 4.176 25.657 ( 1.570 8.772 -2.158) 9.169 25.736 ( 1.333 0.379 0.045) 1.386 26.014 ( 6.796 2.107 -8.037) 10.734 26.166 ( 5.001 4.248 -7.127) 9.687 ======================= Grid point 157 (46/78) ======================= q-point: ( 0.43 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 6.128 5.554 6.547) 10.548 1.179 ( -1.014 1.766 5.134) 5.523 1.343 ( -0.574 1.753 0.387) 1.885 1.400 ( -3.147 -0.869 2.732) 4.257 1.482 ( -1.591 -1.157 1.093) 2.250 1.581 ( 0.904 3.048 0.673) 3.249 1.807 ( -0.614 -1.781 -0.773) 2.036 1.822 ( 0.122 0.340 0.100) 0.374 1.920 ( 0.166 -1.474 0.462) 1.553 1.998 ( -2.484 1.624 0.035) 2.968 2.066 ( -0.226 -3.054 -2.078) 3.701 2.100 ( -0.404 0.196 0.745) 0.870 2.141 ( 1.029 1.634 0.316) 1.957 2.190 ( 0.873 3.527 -0.522) 3.670 2.329 ( -5.823 -3.471 -2.582) 7.254 2.423 ( -0.499 5.367 -2.372) 5.889 2.540 ( 2.751 -2.866 -3.385) 5.220 2.602 ( 2.678 -1.172 1.775) 3.420 2.706 ( 3.500 1.390 1.791) 4.170 2.753 ( -1.777 0.791 -0.658) 2.053 3.242 ( 5.183 -7.062 -1.486) 8.885 3.313 ( 0.122 -11.432 -5.243) 12.578 3.669 ( -5.393 6.660 0.931) 8.620 3.903 ( -1.122 13.779 -2.134) 13.989 6.020 ( 1.935 -11.942 14.597) 18.958 6.668 ( -5.856 11.459 12.635) 18.035 7.105 ( 15.284 -8.456 -4.228) 17.971 7.528 ( -0.109 -12.128 -7.762) 14.399 7.609 ( -2.514 2.411 -7.931) 8.662 7.827 ( -5.038 0.950 -12.843) 13.828 8.483 ( 1.689 -0.839 6.388) 6.661 8.874 ( -2.364 15.181 17.171) 23.041 10.214 ( -2.920 3.467 -1.921) 4.923 10.416 ( -3.940 9.113 -5.807) 11.502 10.635 ( 3.002 -6.892 -2.658) 7.973 10.805 ( 2.473 1.241 -5.329) 6.005 12.836 ( 14.796 -10.939 -1.201) 18.440 13.156 ( -16.112 -11.227 -2.184) 19.759 13.241 ( 11.859 6.289 -2.354) 13.628 13.674 ( -6.784 7.477 -3.707) 10.755 14.304 ( -3.672 0.645 1.931) 4.198 14.435 ( -3.068 9.529 1.183) 10.080 14.575 ( 2.353 -5.521 0.201) 6.005 14.799 ( 0.410 3.330 -0.668) 3.421 15.271 ( 5.148 -2.563 2.320) 6.201 15.341 ( -2.454 -1.879 1.053) 3.265 23.966 ( -0.745 -4.480 -2.663) 5.264 24.153 ( -0.034 4.139 -0.189) 4.144 25.120 ( -0.005 -6.555 -0.832) 6.608 25.342 ( -1.892 -0.880 2.445) 3.215 25.649 ( -1.993 3.248 -0.760) 3.886 25.781 ( 2.793 5.220 -0.670) 5.958 26.115 ( 2.547 1.421 -10.580) 10.975 26.246 ( 2.891 4.290 -7.612) 9.204 ======================= Grid point 158 (47/78) ======================= q-point: (-0.43 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -7.421 5.476 4.273) 10.165 1.173 ( 1.468 4.369 8.001) 9.234 1.298 ( 1.773 -0.349 3.173) 3.651 1.412 ( 2.105 0.635 0.198) 2.208 1.499 ( 2.684 0.241 0.142) 2.698 1.669 ( 5.634 -0.827 1.133) 5.806 1.757 ( -3.689 -0.081 -1.552) 4.003 1.832 ( 1.416 -0.607 0.775) 1.724 1.925 ( -0.293 0.012 0.959) 1.003 1.963 ( -1.926 -0.076 -0.752) 2.069 2.064 ( 0.321 -2.792 -0.178) 2.816 2.104 ( 0.500 -0.037 0.434) 0.663 2.118 ( -2.409 1.904 -1.317) 3.341 2.221 ( 2.954 3.108 -0.081) 4.289 2.231 ( -3.066 -0.545 -0.988) 3.267 2.472 ( 3.023 2.074 -3.223) 4.881 2.544 ( -1.504 -4.769 -2.132) 5.436 2.610 ( -1.210 -0.317 1.984) 2.345 2.708 ( -1.690 1.668 -1.518) 2.819 2.795 ( 3.880 3.208 0.072) 5.035 3.226 ( -2.828 -11.322 -0.539) 11.682 3.298 ( -6.686 -7.073 -5.010) 10.947 3.650 ( 5.607 7.343 -0.095) 9.239 3.936 ( 3.302 12.175 -1.712) 12.730 6.024 ( -1.673 -11.979 14.518) 18.896 6.656 ( 4.621 11.133 11.508) 16.665 7.337 ( -4.234 -8.698 -6.432) 11.617 7.379 ( -5.448 -13.424 -6.681) 15.954 7.468 ( -5.494 4.144 -6.323) 9.346 7.807 ( 1.734 1.155 -10.143) 10.355 8.588 ( 6.763 -2.763 3.397) 8.057 8.869 ( 1.811 17.435 18.151) 25.233 10.203 ( 1.707 1.521 -1.924) 2.988 10.390 ( 1.696 9.750 -3.828) 10.611 10.654 ( -1.151 -5.332 -5.199) 7.536 10.805 ( -2.380 0.593 -5.207) 5.755 12.784 ( -15.030 -9.445 -1.929) 17.856 13.204 ( 14.245 -13.497 -1.549) 19.684 13.303 ( -6.989 5.346 -1.455) 8.919 13.626 ( 5.018 9.399 -4.646) 11.624 14.274 ( 0.550 1.919 3.304) 3.860 14.423 ( 1.900 5.671 0.518) 6.003 14.618 ( 1.979 -4.463 0.129) 4.883 14.787 ( -1.685 4.874 -1.166) 5.287 15.246 ( -5.155 -3.271 3.107) 6.851 15.371 ( 2.846 -1.346 0.382) 3.172 23.965 ( 0.656 -4.420 -2.716) 5.230 24.155 ( 0.233 4.096 -0.108) 4.104 25.145 ( 2.379 -7.796 -0.551) 8.170 25.319 ( -0.223 0.494 1.440) 1.539 25.599 ( -2.635 3.280 0.006) 4.208 25.824 ( 1.211 5.253 -1.239) 5.532 26.105 ( -3.203 1.079 -7.999) 8.684 26.257 ( -2.046 4.408 -9.650) 10.805 ======================= Grid point 159 (48/78) ======================= q-point: (-0.29 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -6.129 4.987 6.856) 10.461 1.108 ( -5.147 3.265 10.270) 11.943 1.379 ( 2.363 -1.094 -1.595) 3.053 1.476 ( 3.964 2.002 -0.385) 4.458 1.572 ( 3.158 1.566 -0.488) 3.559 1.691 ( -2.183 -2.312 -1.515) 3.522 1.775 ( 7.474 -1.235 1.654) 7.754 1.877 ( 0.227 -2.934 -1.291) 3.214 1.903 ( -0.476 -0.694 0.959) 1.276 1.914 ( -1.519 -0.060 0.876) 1.755 2.073 ( -1.131 1.420 0.292) 1.839 2.086 ( 1.965 -0.988 1.182) 2.497 2.143 ( 2.447 1.109 0.781) 2.797 2.194 ( -1.501 1.001 0.032) 1.805 2.302 ( 4.631 0.601 1.038) 4.783 2.453 ( -4.807 1.186 -2.195) 5.416 2.510 ( -1.008 -5.083 -0.871) 5.255 2.594 ( -0.771 0.283 0.049) 0.823 2.702 ( 0.671 2.670 -2.136) 3.484 2.811 ( -2.676 2.092 -0.658) 3.460 3.118 ( -6.833 0.388 2.234) 7.200 3.240 ( 2.292 -8.832 2.080) 9.359 3.738 ( 0.759 5.796 -1.596) 6.059 4.033 ( 7.020 2.219 -4.777) 8.776 5.972 ( -3.088 -2.796 18.071) 18.545 6.804 ( 7.368 -1.179 2.201) 7.780 7.058 ( -13.388 -8.336 -6.303) 16.984 7.165 ( -11.949 11.845 -10.701) 19.940 7.590 ( 6.065 -3.585 -4.715) 8.478 7.819 ( -0.798 2.138 -6.557) 6.943 8.686 ( 3.348 -4.343 7.512) 9.301 8.968 ( 8.674 4.226 13.149) 16.309 10.269 ( 4.698 5.103 -0.777) 6.980 10.469 ( 5.398 5.228 0.862) 7.564 10.585 ( -6.067 -3.732 -5.733) 9.144 10.726 ( -5.222 -0.728 -2.504) 5.837 12.532 ( -10.061 -3.243 -6.776) 12.556 13.016 ( -15.978 9.352 -3.483) 18.838 13.528 ( 14.838 -12.899 -0.128) 19.662 13.749 ( 5.673 2.130 -2.350) 6.499 14.320 ( 3.947 1.918 2.663) 5.133 14.495 ( 4.915 0.404 0.071) 4.933 14.651 ( 1.397 -1.556 -0.334) 2.118 14.733 ( -3.793 4.352 -3.078) 6.543 15.140 ( -5.213 -1.584 6.176) 8.236 15.392 ( -0.673 -0.143 -0.607) 0.917 23.991 ( 1.986 -3.807 -2.303) 4.872 24.159 ( 0.026 2.928 -0.299) 2.943 25.197 ( 2.550 -7.535 -1.242) 8.051 25.329 ( 0.844 0.186 0.372) 0.941 25.572 ( 0.389 6.498 0.615) 6.539 25.811 ( -2.955 2.896 -1.978) 4.586 26.012 ( -5.754 1.250 -4.537) 7.433 26.174 ( -5.894 4.493 -9.644) 12.162 ======================= Grid point 163 (49/78) ======================= q-point: ( 0.29 0.29 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 7.170 6.555 4.127) 10.555 1.163 ( 2.921 4.235 10.066) 11.305 1.368 ( 0.214 -1.171 -1.594) 1.990 1.451 ( -3.039 -0.938 1.327) 3.446 1.547 ( -2.457 1.087 -0.863) 2.822 1.704 ( -0.479 4.424 -0.777) 4.517 1.750 ( -1.656 -6.423 1.892) 6.897 1.846 ( -0.064 0.207 -1.529) 1.544 1.905 ( -0.001 -0.505 1.592) 1.670 1.931 ( 2.187 -5.105 -1.318) 5.708 2.058 ( -1.463 -0.592 1.116) 1.933 2.111 ( 0.551 1.135 0.697) 1.441 2.140 ( -0.245 -0.123 1.975) 1.994 2.176 ( -0.401 0.393 -2.033) 2.109 2.342 ( -1.409 -6.019 1.292) 6.315 2.436 ( 2.575 1.061 1.405) 3.120 2.504 ( 3.012 3.653 -4.244) 6.358 2.592 ( -0.292 2.566 0.989) 2.765 2.705 ( -2.573 -1.355 1.467) 3.258 2.822 ( -0.194 5.453 -1.196) 5.586 3.107 ( -2.002 -4.741 -1.294) 5.306 3.161 ( 0.346 -1.179 -3.409) 3.623 3.805 ( 0.933 0.899 1.294) 1.831 4.081 ( 2.773 3.779 -0.422) 4.706 5.898 ( -4.273 -3.994 13.710) 14.906 6.830 ( 4.360 -0.042 -0.455) 4.384 6.918 ( -5.543 6.737 1.725) 8.893 7.334 ( 2.306 -2.946 -10.961) 11.582 7.553 ( 2.108 -4.496 -9.373) 10.607 7.871 ( 1.864 -0.352 -9.300) 9.492 8.542 ( -7.993 -1.558 0.333) 8.150 9.087 ( 7.016 7.859 16.484) 19.563 10.382 ( 6.062 -7.871 1.997) 10.133 10.456 ( -6.524 6.983 1.994) 9.763 10.607 ( 2.967 2.844 -5.421) 6.803 10.725 ( 2.938 1.784 -1.665) 3.819 12.523 ( 2.677 1.128 -5.530) 6.247 13.160 ( -1.136 -0.402 -2.145) 2.461 13.273 ( -6.570 -3.268 -2.019) 7.610 13.783 ( 1.623 0.144 -4.207) 4.511 14.369 ( 1.100 -1.294 0.864) 1.906 14.459 ( -1.514 -1.981 1.399) 2.859 14.654 ( 0.609 1.624 -0.422) 1.785 14.814 ( 3.225 4.465 -3.167) 6.354 15.131 ( 1.487 -0.270 7.202) 7.359 15.363 ( -2.965 -1.428 -0.065) 3.291 23.929 ( -2.542 -2.585 -3.137) 4.795 24.200 ( 1.338 1.492 0.640) 2.104 25.069 ( -5.148 -3.821 -1.890) 6.684 25.323 ( -0.802 -1.859 2.443) 3.173 25.706 ( 6.635 -1.180 0.140) 6.741 25.796 ( -3.029 4.280 -0.659) 5.285 26.125 ( 7.936 6.912 -9.012) 13.856 26.253 ( 3.683 4.771 -9.976) 11.656 ======================= Grid point 164 (50/78) ======================= q-point: ( 0.43 0.29 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 3.047 3.502 2.940) 5.495 1.228 ( 3.919 6.027 9.347) 11.791 1.397 ( 1.731 1.818 -0.971) 2.691 1.403 ( -2.047 2.472 3.129) 4.483 1.496 ( -2.401 1.497 0.341) 2.850 1.646 ( -3.562 3.719 1.754) 5.440 1.743 ( 0.923 -4.343 1.254) 4.613 1.849 ( -1.061 0.827 -0.326) 1.384 1.872 ( 0.181 -3.499 1.691) 3.890 1.966 ( -0.567 -5.283 -2.880) 6.044 2.030 ( -0.996 0.737 -0.050) 1.241 2.085 ( -0.950 -1.958 1.459) 2.620 2.174 ( 0.771 0.630 -0.076) 0.999 2.219 ( 4.392 -0.918 -1.226) 4.651 2.257 ( -4.667 -1.861 -0.485) 5.047 2.504 ( -0.562 -1.814 -0.873) 2.090 2.528 ( -1.044 5.287 -1.929) 5.724 2.621 ( 3.597 3.217 0.617) 4.865 2.684 ( 2.054 -1.895 2.903) 4.029 2.817 ( 0.186 4.758 -0.821) 4.832 3.067 ( -2.291 -8.699 -1.996) 9.214 3.185 ( 1.680 -3.917 -8.999) 9.957 3.788 ( -1.658 4.926 5.857) 7.830 4.130 ( 1.805 9.314 1.340) 9.581 5.835 ( -1.722 -6.575 10.076) 12.154 6.853 ( -1.506 6.558 7.394) 9.997 6.966 ( 9.278 -5.251 -4.180) 11.451 7.241 ( -8.439 -15.041 -5.545) 18.117 7.662 ( 4.345 3.575 -13.048) 14.209 7.833 ( -4.559 0.238 -16.351) 16.976 8.460 ( 0.053 -2.955 -1.217) 3.196 9.206 ( 4.336 17.595 17.812) 25.410 10.324 ( -5.834 6.661 2.795) 9.285 10.487 ( 4.312 -6.584 1.158) 7.955 10.611 ( -0.453 8.983 -3.173) 9.538 10.806 ( 2.517 -0.752 -1.823) 3.198 12.632 ( 7.358 -9.099 -0.680) 11.721 12.926 ( -12.248 -11.559 -3.168) 17.137 13.341 ( 4.088 3.083 -5.531) 7.538 13.808 ( 0.588 6.442 -5.679) 8.608 14.344 ( -1.637 3.001 1.729) 3.831 14.474 ( 0.837 -4.474 0.292) 4.561 14.643 ( -1.201 10.918 0.506) 10.995 14.858 ( 1.704 3.134 -0.366) 3.586 15.202 ( 4.818 -4.454 3.914) 7.641 15.283 ( -4.760 -4.254 1.379) 6.531 23.895 ( -0.875 -2.774 -3.545) 4.586 24.215 ( 0.388 2.271 1.039) 2.527 25.005 ( -1.501 -5.163 -1.871) 5.693 25.307 ( -0.696 -1.895 2.886) 3.522 25.736 ( -2.692 4.682 -0.230) 5.406 25.808 ( 3.640 -1.174 -0.039) 3.825 26.232 ( 2.195 8.424 -11.851) 14.704 26.320 ( 2.934 3.317 -9.427) 10.415 ======================= Grid point 165 (51/78) ======================= q-point: (-0.43 0.29 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -2.859 3.474 3.521) 5.713 1.254 ( -4.329 4.268 8.642) 10.566 1.362 ( -0.648 6.015 0.920) 6.120 1.434 ( 2.227 1.138 1.518) 2.926 1.516 ( 4.942 1.427 1.073) 5.254 1.616 ( 1.297 -2.356 2.328) 3.557 1.785 ( 0.125 -0.239 -2.205) 2.221 1.812 ( -0.310 -0.095 1.326) 1.365 1.887 ( 0.675 -4.179 0.536) 4.267 1.937 ( -1.839 -2.484 -1.595) 3.477 2.032 ( 1.298 -0.024 0.408) 1.361 2.089 ( 1.669 -1.658 1.522) 2.802 2.168 ( -2.260 2.637 -0.144) 3.476 2.187 ( -1.122 -2.594 0.040) 2.826 2.283 ( 1.615 0.080 -1.126) 1.970 2.466 ( -2.146 1.611 1.527) 3.087 2.525 ( 1.189 0.762 -4.374) 4.597 2.635 ( -1.981 2.985 0.992) 3.717 2.703 ( -0.732 -1.721 1.701) 2.528 2.863 ( 2.581 3.266 -1.133) 4.315 3.029 ( -0.231 -7.745 -1.426) 7.878 3.196 ( -1.304 -4.422 -9.097) 10.198 3.784 ( 1.485 5.495 5.802) 8.128 4.135 ( -1.394 8.429 1.547) 8.682 5.838 ( 1.873 -6.712 9.941) 12.140 6.837 ( -0.584 6.781 6.528) 9.431 7.068 ( -7.769 -12.847 -4.718) 15.737 7.179 ( 10.596 -9.857 -4.692) 15.214 7.591 ( -6.971 8.034 -13.710) 17.353 7.840 ( 2.776 1.368 -13.931) 14.271 8.500 ( 2.756 -6.422 -2.629) 7.466 9.216 ( -3.798 17.241 18.043) 25.243 10.278 ( 1.808 5.609 3.020) 6.622 10.530 ( -0.402 -4.793 1.510) 5.041 10.615 ( 0.665 9.561 -2.895) 10.012 10.792 ( -3.433 -1.297 -2.887) 4.669 12.616 ( -7.584 -7.518 -1.206) 10.747 12.939 ( 12.244 -12.900 -2.612) 17.976 13.360 ( -2.744 1.082 -5.385) 6.140 13.798 ( -1.268 7.737 -5.886) 9.804 14.340 ( 1.164 3.996 2.288) 4.749 14.459 ( -1.462 -2.811 -0.549) 3.216 14.644 ( 1.223 8.199 2.163) 8.568 14.874 ( -0.685 4.118 -2.499) 4.865 15.172 ( -4.484 -4.149 5.261) 8.062 15.309 ( 4.141 -5.100 0.895) 6.630 23.895 ( 0.861 -2.753 -3.559) 4.581 24.216 ( -0.325 2.194 1.068) 2.461 25.010 ( 1.945 -5.792 -1.835) 6.379 25.302 ( 0.355 -1.406 2.699) 3.064 25.701 ( -0.852 5.769 -0.051) 5.831 25.841 ( -0.290 -2.032 -0.259) 2.069 26.221 ( -2.872 8.659 -10.203) 13.687 26.331 ( -2.241 3.079 -10.875) 11.523 ======================= Grid point 171 (52/78) ======================= q-point: ( 0.43 0.43 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 1.101 1.077 2.735) 3.139 1.365 ( 6.680 5.744 8.677) 12.366 1.430 ( -0.413 1.744 2.148) 2.797 1.467 ( 3.044 3.216 0.123) 4.430 1.516 ( -1.970 0.114 -0.143) 1.978 1.634 ( 4.120 -4.934 5.350) 8.363 1.714 ( -7.388 1.826 4.113) 8.650 1.777 ( -2.205 -4.928 1.666) 5.650 1.850 ( 1.247 0.213 -1.850) 2.241 1.889 ( -2.393 -2.278 -1.235) 3.527 2.038 ( -0.722 -1.320 1.341) 2.016 2.043 ( -0.903 -0.162 1.057) 1.399 2.150 ( -0.728 -0.884 -1.446) 1.844 2.230 ( 2.973 1.235 -0.039) 3.220 2.258 ( -1.601 0.393 -0.568) 1.743 2.448 ( -2.314 -2.623 -1.184) 3.693 2.620 ( 5.551 3.188 -0.749) 6.445 2.672 ( -0.747 1.361 2.663) 3.083 2.693 ( 1.830 1.961 -0.241) 2.693 2.893 ( -0.336 2.309 -1.701) 2.887 2.935 ( -1.896 -4.431 -1.809) 5.147 3.129 ( -2.064 -1.821 -11.575) 11.897 3.846 ( 1.238 1.207 11.388) 11.519 4.256 ( 3.571 3.563 3.074) 5.907 5.764 ( -1.457 -1.406 5.959) 6.294 6.870 ( -1.514 -0.554 -9.847) 9.979 6.920 ( -4.104 -4.430 -3.984) 7.234 7.052 ( -1.594 -1.979 7.981) 8.375 7.754 ( 7.240 5.152 -18.034) 20.105 7.836 ( -1.832 -0.541 -18.789) 18.886 8.374 ( -4.806 -4.296 -3.764) 7.465 9.481 ( 8.447 8.682 16.468) 20.443 10.382 ( 4.193 -2.781 5.402) 7.383 10.413 ( -5.356 1.522 4.820) 7.365 10.760 ( 2.643 4.727 0.097) 5.417 10.791 ( 1.988 -0.276 0.580) 2.089 12.512 ( -2.857 -3.012 0.937) 4.256 12.747 ( -5.861 -5.720 -5.735) 9.998 13.368 ( 0.100 0.280 -8.881) 8.886 13.905 ( 2.943 2.879 -6.235) 7.472 14.395 ( 0.622 1.111 1.191) 1.743 14.412 ( -0.534 -1.125 1.134) 1.684 14.824 ( 8.159 6.829 0.416) 10.648 14.927 ( 0.552 2.909 -3.997) 4.974 15.114 ( -0.690 -3.166 6.413) 7.186 15.188 ( -6.386 -4.903 3.415) 8.746 23.860 ( -0.906 -0.907 -4.005) 4.205 24.243 ( 0.638 0.649 1.640) 1.876 24.932 ( -2.101 -2.053 -2.227) 3.687 25.281 ( -0.623 -0.659 3.196) 3.323 25.787 ( 2.772 -0.355 -0.214) 2.803 25.800 ( -1.623 1.477 -0.259) 2.210 26.356 ( 3.873 3.049 -11.334) 12.360 26.373 ( 1.308 2.133 -11.452) 11.723 ======================= Grid point 196 (53/78) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 0.000 0.000 4.484) 4.484 1.019 ( 0.000 -0.000 4.484) 4.484 1.476 ( -0.000 0.000 -1.657) 1.657 1.476 ( 0.000 0.000 -1.657) 1.657 1.594 ( 0.000 0.000 0.612) 0.612 1.635 ( -0.000 0.000 1.155) 1.155 1.919 ( -0.000 0.000 0.342) 0.342 1.919 ( 0.000 0.000 0.342) 0.342 1.985 ( 0.000 0.000 -0.515) 0.515 1.985 ( 0.000 0.000 -0.515) 0.515 2.105 ( -0.000 0.000 0.548) 0.548 2.119 ( 0.000 0.000 2.349) 2.349 2.218 ( -0.000 0.000 3.150) 3.150 2.272 ( 0.000 0.000 -0.772) 0.772 2.272 ( 0.000 -0.000 -0.772) 0.772 2.354 ( 0.000 0.000 -0.588) 0.588 2.553 ( 0.000 0.000 -0.676) 0.676 2.562 ( 0.000 0.000 -1.651) 1.651 2.657 ( 0.000 0.000 0.811) 0.811 2.657 ( 0.000 -0.000 0.811) 0.811 3.281 ( 0.000 0.000 13.382) 13.382 3.473 ( 0.000 0.000 7.657) 7.657 3.620 ( 0.000 0.000 -0.800) 0.800 4.174 ( -0.000 0.000 -10.074) 10.074 6.328 ( 0.000 0.000 -8.952) 8.952 6.328 ( 0.000 -0.000 -8.952) 8.952 6.372 ( 0.000 0.000 21.516) 21.516 7.274 ( 0.000 0.000 -8.660) 8.660 7.496 ( 0.000 0.000 -6.940) 6.940 7.496 ( 0.000 0.000 -6.940) 6.940 9.157 ( 0.000 0.000 13.651) 13.651 9.554 ( 0.000 0.000 2.927) 2.927 10.316 ( -0.000 0.000 0.095) 0.095 10.316 ( 0.000 0.000 0.095) 0.095 10.716 ( 0.000 0.000 5.585) 5.585 10.716 ( -0.000 0.000 5.585) 5.585 12.113 ( 0.000 0.000 -6.592) 6.592 12.338 ( -0.000 0.000 -10.036) 10.036 13.848 ( -0.000 0.000 1.029) 1.029 13.964 ( -0.000 0.000 -3.154) 3.154 14.489 ( 0.000 0.000 -0.913) 0.913 14.489 ( 0.000 0.000 -0.913) 0.913 14.673 ( 0.000 0.000 -1.098) 1.098 14.673 ( 0.000 0.000 -1.098) 1.098 15.137 ( 0.000 0.000 5.881) 5.881 15.280 ( 0.000 0.000 -0.391) 0.391 24.082 ( 0.000 0.000 0.028) 0.028 24.118 ( 0.000 0.000 -1.506) 1.506 25.228 ( 0.000 -0.000 -2.790) 2.790 25.228 ( 0.000 0.000 -2.790) 2.790 25.560 ( 0.000 0.000 2.207) 2.207 25.710 ( 0.000 0.000 -2.734) 2.734 25.887 ( 0.000 0.000 -0.151) 0.151 25.887 ( 0.000 0.000 -0.151) 0.151 ======================= Grid point 197 (54/78) ======================= q-point: ( 0.14 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 2.298 1.211 5.887) 6.435 1.072 ( 5.147 -1.171 4.781) 7.121 1.429 ( -3.075 -0.468 -0.211) 3.117 1.457 ( -2.334 1.108 -1.269) 2.879 1.585 ( -1.045 -1.396 0.418) 1.793 1.694 ( 4.766 0.898 -0.601) 4.887 1.829 ( -7.295 -3.451 -0.974) 8.129 1.913 ( -0.679 2.474 -0.545) 2.622 1.965 ( -1.671 3.608 0.455) 4.002 1.969 ( -0.018 -1.254 1.186) 1.726 2.102 ( -0.163 0.195 0.454) 0.521 2.142 ( -0.001 0.132 -0.023) 0.134 2.167 ( -3.056 0.582 -1.173) 3.325 2.201 ( -4.484 -2.884 1.613) 5.570 2.332 ( 2.811 -2.043 -0.736) 3.552 2.410 ( 3.272 0.157 -0.275) 3.287 2.495 ( -5.306 4.934 -0.422) 7.258 2.570 ( 1.737 -2.065 -0.103) 2.700 2.671 ( 0.676 1.151 1.017) 1.679 2.696 ( 3.126 -2.065 0.397) 3.767 3.248 ( -2.574 0.077 12.032) 12.305 3.477 ( 0.453 0.907 5.740) 5.829 3.611 ( -0.971 -0.670 -1.144) 1.643 4.062 ( -10.579 -0.172 -10.427) 14.855 6.298 ( 1.181 1.401 13.879) 14.000 6.471 ( 14.002 -4.532 -7.449) 16.495 6.593 ( 17.272 3.463 -2.285) 17.763 7.152 ( -9.894 0.374 -5.968) 11.561 7.516 ( 1.745 -3.836 -6.460) 7.713 7.585 ( 6.479 3.613 -6.650) 9.963 9.096 ( -5.793 -0.501 13.929) 15.094 9.410 ( -12.894 -0.308 5.367) 13.970 10.257 ( -5.657 -0.007 -1.434) 5.836 10.392 ( 5.950 1.018 -2.758) 6.637 10.631 ( -8.039 -1.685 3.503) 8.929 10.712 ( -0.447 1.178 3.432) 3.656 12.228 ( 11.557 0.750 -4.407) 12.391 12.467 ( 12.549 -0.858 -8.498) 15.180 13.813 ( -4.090 -0.526 0.149) 4.126 13.877 ( -8.129 0.439 -1.906) 8.362 14.454 ( -3.503 2.717 -0.923) 4.528 14.519 ( 2.111 -3.656 -0.328) 4.234 14.617 ( -4.564 0.782 -0.995) 4.736 14.677 ( 0.607 0.392 -0.744) 1.037 15.173 ( 3.389 0.036 5.316) 6.305 15.314 ( 2.910 -0.128 -0.895) 3.047 24.068 ( -1.323 0.354 -0.133) 1.376 24.102 ( -1.487 -0.391 -1.525) 2.165 25.228 ( -0.037 -3.478 -1.679) 3.863 25.283 ( 5.126 4.207 -3.238) 7.379 25.551 ( -2.535 -0.401 1.779) 3.123 25.704 ( 1.206 0.142 -1.263) 1.752 25.896 ( 0.984 -2.663 -1.807) 3.365 25.929 ( 3.664 2.233 -1.153) 4.443 ======================= Grid point 198 (55/78) ======================= q-point: ( 0.29 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 2.009 1.420 8.345) 8.700 1.199 ( 7.333 -1.632 5.362) 9.229 1.374 ( -5.683 -0.123 -0.289) 5.692 1.400 ( 0.118 -0.903 -0.955) 1.319 1.550 ( -2.734 -0.685 0.365) 2.842 1.702 ( -2.023 1.760 -2.493) 3.661 1.817 ( 3.484 -0.341 -0.518) 3.539 1.900 ( -2.157 2.297 -1.416) 3.455 1.912 ( -2.045 -4.659 3.656) 6.265 1.974 ( 0.033 2.232 0.706) 2.342 2.050 ( -4.508 1.668 -2.543) 5.438 2.109 ( 0.671 -0.140 -0.160) 0.704 2.129 ( -1.318 0.269 0.452) 1.419 2.178 ( -0.020 -1.911 1.777) 2.610 2.310 ( -7.198 2.378 -0.714) 7.615 2.423 ( 2.082 -0.307 -3.607) 4.176 2.458 ( 0.028 -1.647 -1.268) 2.079 2.615 ( 2.685 0.183 1.017) 2.877 2.669 ( -0.845 1.169 1.167) 1.856 2.746 ( 1.397 -2.408 -0.193) 2.790 3.233 ( 1.956 -0.350 6.544) 6.839 3.487 ( 0.283 4.270 2.063) 4.751 3.581 ( -2.062 -1.671 -1.007) 2.839 3.820 ( -13.110 -1.789 -9.521) 16.301 6.367 ( 5.566 0.367 16.624) 17.535 6.812 ( 17.357 -5.179 -3.232) 18.399 6.897 ( 0.258 4.882 -1.923) 5.254 7.026 ( 12.433 1.709 -7.294) 14.515 7.541 ( -0.052 -4.074 -5.355) 6.729 7.684 ( 2.496 4.624 -5.857) 7.869 8.964 ( -7.015 -4.553 14.443) 16.690 9.135 ( -14.017 1.451 8.802) 16.615 10.137 ( -5.485 0.182 -3.756) 6.651 10.405 ( -9.850 0.973 -2.631) 10.242 10.529 ( 3.213 0.064 -3.963) 5.102 10.695 ( -1.454 0.225 -1.347) 1.995 12.532 ( 18.921 3.201 -1.258) 19.231 12.780 ( 18.695 -3.770 -5.659) 19.894 13.632 ( -14.251 -4.331 -1.141) 14.938 13.716 ( -9.016 4.494 -0.540) 10.089 14.377 ( -3.626 2.069 0.405) 4.195 14.471 ( -5.883 -1.195 1.867) 6.287 14.609 ( 2.937 -2.668 -1.996) 4.441 14.693 ( 0.707 2.308 -0.939) 2.590 15.252 ( 4.379 0.169 3.782) 5.789 15.364 ( 1.766 -0.472 -1.025) 2.095 24.042 ( -1.124 1.480 -0.539) 1.935 24.069 ( -1.745 -1.602 -1.443) 2.774 25.229 ( 0.384 -5.233 -0.134) 5.249 25.382 ( 2.029 11.249 -2.834) 11.777 25.482 ( -0.852 -4.342 1.050) 4.547 25.734 ( -0.124 -0.568 -0.086) 0.587 25.942 ( 4.233 -4.223 -4.833) 7.688 26.006 ( 3.803 3.250 -2.366) 5.533 ======================= Grid point 199 (56/78) ======================= q-point: ( 0.43 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 3.863 0.263 7.247) 8.217 1.235 ( -5.281 -0.632 4.756) 7.135 1.360 ( 5.398 -1.066 0.953) 5.584 1.414 ( 0.005 0.386 -0.541) 0.665 1.520 ( 1.839 1.727 1.354) 2.863 1.639 ( -6.983 -2.323 1.009) 7.428 1.809 ( 0.417 -3.426 0.222) 3.458 1.852 ( -1.882 4.130 2.048) 4.979 1.934 ( 1.114 0.060 1.124) 1.583 1.956 ( -1.474 0.917 -0.838) 1.927 2.053 ( 3.750 -1.144 -2.366) 4.579 2.105 ( -0.793 0.589 -0.024) 0.988 2.119 ( -0.320 0.573 -0.333) 0.736 2.164 ( -5.753 0.134 -1.576) 5.967 2.222 ( 4.851 2.961 -1.029) 5.776 2.351 ( -6.908 -2.189 -1.175) 7.341 2.550 ( 6.112 -4.052 -3.240) 8.017 2.635 ( -2.501 1.053 0.082) 2.715 2.673 ( 2.924 3.432 0.130) 4.510 2.734 ( -2.627 -2.344 -0.676) 3.585 3.324 ( 6.907 -1.845 -0.675) 7.181 3.458 ( -4.893 3.138 -3.948) 7.027 3.552 ( 0.175 7.729 0.937) 7.788 3.611 ( -6.939 -8.753 -3.850) 11.815 6.505 ( 8.567 -0.932 13.404) 15.935 6.692 ( -10.620 1.849 7.648) 13.217 7.214 ( 18.024 -4.691 -2.685) 18.817 7.379 ( 16.855 5.155 -8.760) 19.682 7.474 ( -7.607 0.318 -4.091) 8.643 7.635 ( -8.163 0.170 -7.314) 10.961 8.867 ( -1.790 -11.063 14.154) 18.053 8.921 ( -7.317 8.779 12.130) 16.666 10.092 ( 1.604 -0.053 -4.962) 5.215 10.202 ( -9.188 0.228 -4.220) 10.113 10.601 ( 3.331 1.932 -6.598) 7.639 10.656 ( -2.450 -1.264 -5.273) 5.950 12.922 ( 20.708 5.161 0.160) 21.342 13.150 ( 18.398 -6.036 -2.911) 19.580 13.311 ( -18.165 -5.561 -0.629) 19.008 13.486 ( -14.889 6.305 -2.098) 16.304 14.337 ( -0.193 0.436 1.789) 1.852 14.372 ( -3.757 0.015 2.140) 4.323 14.664 ( 2.358 -3.866 -1.491) 4.767 14.694 ( -0.721 3.605 -1.244) 3.881 15.329 ( 3.349 0.424 1.761) 3.807 15.372 ( -0.969 -0.605 -0.031) 1.143 24.030 ( -0.024 2.337 -0.937) 2.518 24.041 ( -1.086 -2.412 -1.233) 2.919 25.253 ( 2.278 -6.135 0.624) 6.574 25.320 ( -4.512 7.328 0.618) 8.628 25.572 ( 6.421 0.821 -1.910) 6.749 25.683 ( -4.638 -1.552 -1.177) 5.031 26.029 ( 3.537 -4.297 -4.882) 7.403 26.056 ( 0.843 3.917 -3.705) 5.457 ======================= Grid point 204 (57/78) ======================= q-point: ( 0.14 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 0.988 0.226 5.461) 5.554 1.167 ( 4.948 5.760 5.794) 9.551 1.380 ( -2.211 -2.267 -0.702) 3.244 1.501 ( 1.716 0.221 -0.799) 1.906 1.578 ( -3.026 1.009 0.517) 3.231 1.688 ( 1.688 -1.459 -0.688) 2.335 1.794 ( -5.748 -0.101 -2.722) 6.360 1.894 ( 0.738 -3.162 0.680) 3.317 1.938 ( -0.751 -2.517 1.326) 2.942 1.990 ( -0.102 -1.904 0.170) 1.914 2.070 ( -0.159 -0.780 0.145) 0.809 2.142 ( -0.565 -2.026 0.577) 2.181 2.155 ( -0.883 0.491 0.035) 1.011 2.228 ( -3.809 -0.398 0.392) 3.850 2.280 ( -0.148 3.544 -2.631) 4.416 2.447 ( 0.755 2.082 0.789) 2.351 2.481 ( 2.285 -6.029 0.236) 6.452 2.580 ( -0.614 0.586 -0.184) 0.868 2.674 ( 2.234 2.194 -0.172) 3.136 2.735 ( 0.675 3.702 1.073) 3.913 3.202 ( -3.307 -3.382 8.755) 9.951 3.394 ( -5.221 -6.868 3.192) 9.198 3.683 ( 3.964 4.567 0.137) 6.049 4.017 ( -4.573 -3.912 -8.322) 10.270 6.305 ( 1.298 -0.796 16.089) 16.161 6.517 ( 3.828 9.728 -6.235) 12.172 6.743 ( 15.339 10.197 -7.652) 19.946 7.099 ( -4.596 -4.976 -2.562) 7.242 7.484 ( -2.249 1.272 -7.400) 7.838 7.674 ( 7.094 3.629 -5.016) 9.415 8.991 ( -10.775 -8.928 10.632) 17.574 9.343 ( -5.789 -5.208 9.169) 12.030 10.315 ( -0.996 2.104 -5.859) 6.304 10.380 ( 5.437 -0.718 -0.628) 5.520 10.605 ( -6.526 -1.571 2.747) 7.253 10.688 ( 0.765 -2.479 2.419) 3.547 12.261 ( 5.854 4.256 -4.795) 8.682 12.615 ( 12.285 14.263 -6.346) 19.865 13.743 ( -9.489 -7.479 -0.764) 12.106 13.822 ( -3.155 -5.049 -0.970) 6.032 14.436 ( 0.216 -3.670 0.980) 3.805 14.542 ( -2.206 3.625 -2.906) 5.143 14.605 ( -1.172 -1.282 0.972) 1.991 14.666 ( 1.483 -0.953 -1.473) 2.298 15.194 ( 2.146 2.042 5.195) 5.981 15.336 ( 1.662 2.043 -1.168) 2.881 24.013 ( -3.378 -3.638 -1.123) 5.090 24.136 ( 1.316 1.687 -0.600) 2.222 25.182 ( -4.182 -1.111 -2.186) 4.847 25.335 ( 5.510 0.705 -1.160) 5.675 25.599 ( 2.848 2.521 0.898) 3.908 25.692 ( 0.296 1.165 -1.556) 1.966 25.889 ( -1.533 1.997 -1.098) 2.747 25.971 ( 4.472 2.016 -3.225) 5.870 ======================= Grid point 205 (58/78) ======================= q-point: ( 0.29 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 5.555 0.815 5.436) 7.815 1.245 ( 3.975 3.881 5.838) 8.059 1.352 ( -1.993 -0.568 -0.997) 2.300 1.444 ( -4.298 2.860 0.046) 5.163 1.547 ( -0.693 0.157 0.668) 0.975 1.728 ( -3.133 -0.886 0.553) 3.302 1.752 ( 3.770 -3.691 -0.624) 5.313 1.822 ( -3.874 -0.447 1.285) 4.106 1.936 ( -0.275 0.430 0.172) 0.539 1.993 ( 0.649 -0.239 -1.503) 1.655 2.071 ( -4.230 -2.277 -0.370) 4.818 2.111 ( 1.112 0.012 0.135) 1.120 2.148 ( -1.867 1.974 0.214) 2.726 2.157 ( 0.722 -0.002 0.196) 0.748 2.339 ( 3.461 1.499 -4.848) 6.143 2.390 ( -4.298 -0.836 -2.281) 4.937 2.531 ( -4.648 4.588 1.597) 6.723 2.567 ( 4.675 -3.751 2.419) 6.464 2.703 ( -0.151 3.038 -0.273) 3.054 2.746 ( 1.227 1.031 0.730) 1.761 3.164 ( -0.206 -5.248 2.871) 5.986 3.306 ( -3.692 -12.637 -1.582) 13.260 3.728 ( 0.471 7.884 0.835) 7.942 3.911 ( -5.404 8.690 -4.538) 11.195 6.304 ( -1.103 -6.495 14.830) 16.228 6.708 ( 14.472 -2.943 -3.045) 15.079 6.998 ( -4.797 4.273 4.421) 7.798 7.074 ( 17.698 1.892 -11.520) 21.202 7.470 ( -0.219 -2.463 -8.576) 8.926 7.749 ( -1.132 0.473 -5.047) 5.194 8.752 ( -11.424 -12.085 7.880) 18.402 9.243 ( -3.716 7.177 13.893) 16.073 10.242 ( -4.197 8.568 -5.678) 11.102 10.436 ( -8.434 1.339 -2.664) 8.945 10.528 ( 5.466 0.284 -0.692) 5.517 10.695 ( -0.357 -0.027 -0.629) 0.723 12.472 ( 15.531 -5.429 -2.625) 16.661 12.890 ( 15.422 11.609 -4.690) 19.865 13.483 ( -16.412 -10.566 -0.356) 19.522 13.746 ( -5.287 -1.245 -1.423) 5.615 14.404 ( -3.526 0.092 0.495) 3.562 14.517 ( -2.146 5.560 0.360) 5.971 14.554 ( -0.435 -2.593 0.582) 2.693 14.726 ( 3.022 0.952 -2.576) 4.083 15.250 ( 3.457 -0.242 4.093) 5.363 15.360 ( 0.537 -0.026 -0.855) 1.010 23.955 ( -2.446 -4.903 -1.558) 5.697 24.148 ( 0.127 4.230 -0.350) 4.246 25.122 ( -2.059 -5.270 -1.194) 5.782 25.408 ( 0.996 -3.057 1.010) 3.371 25.619 ( 0.969 11.633 -1.440) 11.761 25.740 ( 2.270 0.004 0.250) 2.284 25.886 ( 2.078 0.027 -4.920) 5.341 26.060 ( 4.422 2.197 -3.889) 6.285 ======================= Grid point 206 (59/78) ======================= q-point: ( 0.43 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 3.965 2.961 5.448) 7.360 1.275 ( -3.665 3.807 3.287) 6.223 1.348 ( 5.242 0.255 0.925) 5.329 1.427 ( 0.189 1.054 0.349) 1.126 1.532 ( -1.839 -0.940 3.041) 3.676 1.624 ( -2.680 2.245 3.372) 4.858 1.784 ( -0.782 0.007 -0.868) 1.168 1.839 ( 2.306 -2.134 0.919) 3.274 1.934 ( 0.134 -0.284 0.580) 0.660 1.994 ( -1.761 1.567 -0.649) 2.445 2.000 ( -0.967 -4.682 -3.696) 6.043 2.111 ( -0.773 0.463 0.392) 0.983 2.138 ( 0.170 1.330 -0.557) 1.452 2.184 ( -0.395 2.149 -0.003) 2.185 2.275 ( -3.181 -1.566 -2.457) 4.313 2.388 ( -1.439 5.146 -1.984) 5.700 2.486 ( 2.524 0.529 -0.948) 2.748 2.624 ( 1.337 -1.518 0.665) 2.130 2.722 ( 1.047 2.226 -0.930) 2.630 2.743 ( -0.684 1.655 0.140) 1.796 3.177 ( 0.813 -9.092 -5.197) 10.504 3.257 ( -1.455 -13.427 -0.377) 13.511 3.697 ( -2.950 9.966 1.948) 10.575 3.856 ( 0.135 16.596 -2.586) 16.797 6.285 ( -0.516 -14.137 11.527) 18.248 6.867 ( -1.540 7.742 7.608) 10.963 7.074 ( 14.684 -7.368 0.995) 16.459 7.374 ( 9.746 -6.394 -7.690) 13.965 7.438 ( -1.959 -3.168 -8.686) 9.451 7.597 ( -12.930 -3.541 -9.629) 16.506 8.626 ( -1.170 -10.238 7.123) 12.527 9.208 ( -0.280 16.927 15.985) 23.284 10.179 ( -2.058 8.379 -1.845) 8.823 10.299 ( -4.095 9.022 -5.616) 11.389 10.585 ( 0.085 -2.257 -2.455) 3.336 10.687 ( 0.089 3.199 -5.949) 6.755 12.823 ( 19.691 -11.364 -0.176) 22.736 13.128 ( -17.213 -11.128 -0.803) 20.513 13.186 ( 11.609 5.255 -2.925) 13.074 13.606 ( -9.144 4.900 -3.062) 10.817 14.348 ( -1.565 1.720 2.149) 3.166 14.446 ( -3.162 5.894 0.639) 6.719 14.593 ( 2.457 -2.897 1.216) 3.988 14.759 ( 0.279 2.903 -3.264) 4.377 15.316 ( 2.821 -1.565 2.088) 3.843 15.354 ( -0.951 -1.524 0.348) 1.830 23.922 ( -0.947 -5.374 -1.792) 5.744 24.149 ( 0.104 5.388 -0.226) 5.394 25.105 ( 0.335 -7.878 -0.707) 7.916 25.383 ( -2.381 -0.738 1.700) 3.017 25.641 ( -0.347 5.368 0.024) 5.379 25.756 ( 1.126 7.186 -2.055) 7.559 25.954 ( 3.406 -2.174 -5.511) 6.834 26.121 ( 1.422 2.765 -4.904) 5.806 ======================= Grid point 207 (60/78) ======================= q-point: (-0.43 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -4.410 3.053 5.594) 7.751 1.298 ( 4.334 4.639 4.091) 7.553 1.382 ( -4.604 1.084 3.961) 6.170 1.414 ( 2.412 1.276 0.917) 2.879 1.504 ( 2.037 0.334 0.930) 2.264 1.669 ( 1.391 0.364 -2.262) 2.680 1.738 ( -1.418 -4.565 0.878) 4.860 1.857 ( 0.930 0.240 1.580) 1.849 1.930 ( -2.238 -2.224 -2.244) 3.872 1.942 ( -0.230 0.830 0.199) 0.884 2.060 ( 3.969 -2.311 0.307) 4.603 2.085 ( -2.787 1.548 -2.211) 3.879 2.111 ( -0.088 0.731 0.277) 0.787 2.172 ( 1.532 1.682 -3.061) 3.814 2.268 ( 0.920 3.571 2.863) 4.669 2.413 ( 2.351 3.235 -2.303) 4.615 2.519 ( -0.033 -4.860 -0.258) 4.867 2.637 ( -2.080 -0.427 0.208) 2.134 2.670 ( -0.905 4.112 -1.781) 4.572 2.790 ( 2.600 2.663 -0.547) 3.762 3.192 ( 1.131 -11.489 -5.092) 12.617 3.222 ( -2.397 -11.044 -0.073) 11.301 3.676 ( 1.411 11.121 2.432) 11.471 3.888 ( 2.448 15.096 -3.171) 15.619 6.288 ( 0.636 -14.487 11.463) 18.485 6.834 ( -1.348 7.283 6.616) 9.932 7.221 ( -6.860 -5.653 -5.630) 10.522 7.225 ( -17.461 -6.812 -7.219) 20.085 7.406 ( 6.822 -6.002 -0.591) 9.106 7.617 ( 6.956 -1.304 -8.624) 11.157 8.676 ( 5.334 -11.335 4.861) 13.437 9.215 ( 0.829 18.309 16.052) 24.363 10.173 ( 1.921 7.415 -1.075) 7.735 10.305 ( 4.225 10.673 -4.644) 12.382 10.557 ( -2.073 -1.822 -3.987) 4.849 10.692 ( -0.061 1.693 -6.091) 6.322 12.755 ( -18.875 -9.689 -1.134) 21.247 13.190 ( 14.115 -12.456 0.250) 18.826 13.274 ( -6.833 2.407 -1.519) 7.402 13.529 ( 7.127 7.594 -4.912) 11.514 14.346 ( 0.935 2.225 3.927) 4.610 14.427 ( 1.584 3.880 0.080) 4.191 14.632 ( 1.464 -2.040 0.876) 2.659 14.736 ( -2.592 3.364 -3.681) 5.620 15.305 ( -2.717 -1.800 2.675) 4.216 15.370 ( 1.279 -1.210 -0.310) 1.787 23.920 ( 0.762 -5.266 -1.842) 5.630 24.153 ( 0.254 5.306 -0.135) 5.314 25.130 ( 2.019 -9.396 -0.856) 9.649 25.345 ( -1.209 1.613 1.136) 2.314 25.602 ( -2.429 4.047 0.307) 4.730 25.793 ( 1.597 7.482 -1.955) 7.897 25.985 ( -0.397 -2.385 -4.044) 4.711 26.102 ( -3.329 3.140 -6.067) 7.600 ======================= Grid point 208 (61/78) ======================= q-point: (-0.29 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -5.257 1.591 6.472) 8.488 1.272 ( -5.068 3.645 5.722) 8.468 1.356 ( 0.617 -0.706 -0.864) 1.275 1.473 ( 2.801 3.833 0.474) 4.771 1.568 ( 2.710 0.229 0.157) 2.724 1.650 ( 0.964 -3.067 -1.895) 3.732 1.797 ( 3.858 -0.728 0.262) 3.935 1.837 ( -1.534 -2.079 -2.149) 3.361 1.903 ( 0.034 -3.521 0.847) 3.622 1.956 ( 1.232 0.452 1.409) 1.926 2.067 ( 0.572 2.143 -0.634) 2.307 2.110 ( 1.401 -1.052 0.671) 1.876 2.138 ( 2.021 0.385 -0.710) 2.177 2.202 ( 0.607 1.070 -0.315) 1.270 2.337 ( 6.261 4.447 2.612) 8.112 2.395 ( -4.140 -1.511 -2.672) 5.154 2.496 ( -2.103 -2.323 -0.763) 3.225 2.582 ( -1.215 0.095 -1.275) 1.764 2.693 ( 0.880 3.031 1.080) 3.336 2.801 ( -1.951 1.854 -0.411) 2.722 3.172 ( -0.850 -5.253 2.823) 6.024 3.264 ( 5.639 -11.829 0.124) 13.105 3.718 ( 1.269 7.751 0.072) 7.855 3.941 ( 3.323 7.787 -4.560) 9.616 6.298 ( 0.242 -6.212 14.362) 15.649 6.749 ( -10.759 -5.202 -4.454) 12.754 6.944 ( -9.913 5.644 -9.118) 14.603 7.057 ( -4.524 3.118 0.753) 5.546 7.504 ( 1.183 -5.739 -3.708) 6.934 7.697 ( 1.448 3.488 -5.208) 6.433 8.812 ( 8.591 -13.669 5.622) 17.096 9.252 ( 3.465 8.139 14.180) 16.713 10.251 ( 5.330 9.901 -0.981) 11.287 10.395 ( 2.086 -0.183 -7.855) 8.129 10.542 ( 2.149 1.852 1.424) 3.175 10.680 ( -0.930 -1.072 -2.241) 2.653 12.433 ( -13.510 -3.895 -3.322) 14.448 12.943 ( -18.237 10.016 -3.658) 21.126 13.527 ( 14.317 -12.465 -0.008) 18.983 13.697 ( 8.002 0.643 -2.698) 8.469 14.376 ( 2.326 1.794 2.992) 4.193 14.498 ( 4.872 0.374 0.236) 4.892 14.651 ( 0.658 -0.219 -0.391) 0.796 14.665 ( -4.540 2.181 -3.178) 5.955 15.246 ( -3.126 -0.258 4.375) 5.383 15.371 ( -1.115 -0.061 -1.271) 1.692 23.951 ( 2.503 -4.659 -1.647) 5.539 24.154 ( -0.283 3.962 -0.200) 3.977 25.165 ( 1.237 -8.507 -1.719) 8.767 25.336 ( 0.028 2.888 0.330) 2.906 25.583 ( 0.910 6.112 0.517) 6.201 25.779 ( -3.783 3.320 -1.210) 5.177 25.947 ( -3.146 -2.021 -2.192) 4.335 26.021 ( -3.813 3.768 -5.949) 8.008 ======================= Grid point 212 (62/78) ======================= q-point: ( 0.29 0.29 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 5.430 5.046 3.892) 8.372 1.321 ( 1.886 3.819 2.447) 4.912 1.351 ( 0.220 0.912 2.540) 2.708 1.476 ( -2.400 0.740 2.059) 3.247 1.544 ( -0.456 -0.539 0.486) 0.857 1.661 ( 2.421 -1.777 -2.391) 3.839 1.779 ( -1.366 0.373 -0.433) 1.481 1.846 ( -1.413 1.934 1.544) 2.849 1.880 ( 3.629 -5.570 -1.498) 6.814 1.949 ( -1.069 -0.925 1.086) 1.782 2.076 ( -3.014 -0.195 0.674) 3.095 2.117 ( 2.172 1.702 -0.108) 2.761 2.138 ( 0.321 -1.512 -0.836) 1.758 2.172 ( -2.650 0.865 0.456) 2.824 2.348 ( -5.320 -4.158 -0.634) 6.781 2.407 ( 2.176 3.577 -4.576) 6.203 2.491 ( 5.045 -1.601 3.250) 6.211 2.599 ( 0.874 2.661 -0.276) 2.814 2.743 ( 0.751 -1.164 2.260) 2.650 2.797 ( -1.314 4.935 -1.235) 5.254 3.080 ( -3.602 -3.240 -1.721) 5.142 3.093 ( -5.756 -8.403 -3.249) 10.691 3.844 ( 4.653 3.994 2.887) 6.777 4.067 ( 5.069 6.446 -1.147) 8.280 6.155 ( -7.595 -7.706 11.565) 15.837 6.719 ( 2.570 3.898 -3.698) 5.956 7.070 ( 2.457 3.872 5.413) 7.094 7.101 ( 5.901 1.076 -11.277) 12.773 7.401 ( -4.737 -5.391 -5.397) 8.979 7.698 ( -4.658 -5.200 -7.749) 10.430 8.564 ( -10.160 -7.129 1.674) 12.524 9.406 ( 7.851 9.149 15.171) 19.378 10.398 ( -0.005 6.658 -7.074) 9.715 10.402 ( 4.519 -3.588 0.316) 5.779 10.586 ( 0.941 4.266 2.226) 4.903 10.689 ( 3.332 -0.583 -1.744) 3.805 12.434 ( 4.637 2.717 -3.376) 6.347 13.109 ( 4.991 7.290 -2.679) 9.232 13.247 ( -14.095 -11.344 -0.766) 18.110 13.699 ( -0.053 -2.565 -3.981) 4.736 14.407 ( 0.313 0.395 2.913) 2.956 14.493 ( 0.283 -2.647 2.186) 3.444 14.639 ( -0.688 4.578 -1.479) 4.860 14.739 ( 4.351 1.225 -4.249) 6.204 15.249 ( 0.707 0.266 4.687) 4.748 15.353 ( -1.818 -0.924 -0.661) 2.144 23.876 ( -3.027 -3.126 -2.111) 4.836 24.210 ( 1.892 2.166 0.402) 2.904 25.033 ( -5.096 -3.915 -1.681) 6.642 25.362 ( 0.077 -1.585 1.525) 2.201 25.709 ( 6.406 -1.353 0.185) 6.550 25.792 ( -2.148 5.075 0.373) 5.524 25.971 ( 3.726 6.748 -6.521) 10.096 26.095 ( 4.037 1.841 -6.129) 7.566 ======================= Grid point 213 (63/78) ======================= q-point: ( 0.43 0.29 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 2.180 2.139 2.963) 4.256 1.350 ( 2.045 3.616 -1.702) 4.490 1.402 ( 4.767 5.867 6.078) 9.701 1.457 ( -0.068 2.233 2.274) 3.188 1.526 ( -1.714 0.097 2.999) 3.456 1.671 ( -3.394 0.700 0.878) 3.575 1.746 ( -0.283 -2.356 -1.483) 2.798 1.828 ( -1.243 -1.976 -1.018) 2.546 1.903 ( 1.257 -3.525 -0.856) 3.839 1.944 ( -2.529 1.258 2.975) 4.102 2.020 ( 0.078 1.735 -1.377) 2.216 2.109 ( -1.047 -0.643 0.856) 1.497 2.153 ( 1.343 -0.314 -1.594) 2.107 2.210 ( 3.941 0.260 -0.052) 3.950 2.240 ( -4.889 0.041 -1.063) 5.003 2.436 ( 0.580 -0.112 -3.623) 3.671 2.551 ( -1.266 2.966 2.507) 4.085 2.629 ( 2.818 2.942 0.102) 4.075 2.742 ( 0.897 -1.283 2.723) 3.141 2.787 ( 0.080 4.057 -2.330) 4.679 3.019 ( -2.311 -7.721 -4.353) 9.160 3.039 ( -0.873 -8.025 -3.955) 8.989 3.892 ( 0.695 9.339 4.735) 10.494 4.138 ( 2.179 11.914 -0.501) 12.122 6.042 ( -3.329 -10.105 9.905) 14.537 6.834 ( 8.202 -6.892 -0.980) 10.758 7.026 ( -5.398 -5.144 1.894) 7.693 7.214 ( 1.406 -3.492 2.354) 4.440 7.388 ( 5.404 -1.722 -13.459) 14.605 7.526 ( -10.895 -3.374 -14.059) 18.104 8.451 ( -1.906 -8.451 0.030) 8.663 9.538 ( 4.788 16.017 15.243) 22.624 10.365 ( -2.648 9.285 1.161) 9.725 10.487 ( 5.077 5.631 -1.974) 7.834 10.569 ( -2.129 4.512 0.068) 4.989 10.748 ( 0.859 2.810 -3.885) 4.871 12.614 ( 13.349 -8.793 -1.246) 16.034 12.888 ( -17.051 -13.011 -0.451) 21.452 13.245 ( 3.564 0.061 -4.221) 5.525 13.698 ( -0.397 5.098 -5.172) 7.273 14.398 ( -0.286 3.009 3.646) 4.736 14.495 ( -1.012 -1.732 2.128) 2.924 14.637 ( 0.886 7.884 -1.277) 8.036 14.803 ( 1.622 1.593 -4.707) 5.228 15.276 ( 2.100 -2.723 3.095) 4.626 15.308 ( -2.592 -2.878 1.312) 4.089 23.837 ( -1.049 -3.347 -2.349) 4.221 24.232 ( 0.572 3.166 0.685) 3.289 24.970 ( -1.423 -5.788 -1.555) 6.160 25.353 ( -0.681 -1.577 1.828) 2.508 25.740 ( -2.622 4.516 0.597) 5.256 25.810 ( 3.632 -1.344 0.294) 3.883 26.032 ( 2.139 8.481 -8.364) 12.102 26.161 ( 1.970 1.417 -6.477) 6.917 ======================= Grid point 214 (64/78) ======================= q-point: (-0.43 0.29 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -2.222 2.306 3.111) 4.465 1.367 ( -1.611 2.940 -0.007) 3.353 1.420 ( -4.349 3.304 6.011) 8.121 1.473 ( 1.514 3.291 3.096) 4.765 1.520 ( 1.823 0.820 0.552) 2.074 1.656 ( 3.001 -0.324 -0.827) 3.130 1.708 ( -1.718 0.160 -2.256) 2.840 1.835 ( 2.011 -2.739 -0.889) 3.512 1.884 ( -2.050 -1.745 0.492) 2.737 1.950 ( 0.769 0.145 2.356) 2.483 2.040 ( 1.834 0.116 0.473) 1.897 2.104 ( 1.007 0.883 -0.123) 1.345 2.161 ( -2.561 3.357 -0.462) 4.247 2.183 ( 0.414 -1.616 -0.972) 1.931 2.274 ( 2.771 -1.966 0.221) 3.405 2.440 ( -0.188 -0.905 -3.350) 3.475 2.503 ( -2.206 3.921 2.083) 4.958 2.653 ( -1.521 2.130 0.353) 2.641 2.728 ( -0.631 1.026 0.935) 1.525 2.831 ( 2.119 1.858 -1.917) 3.408 2.995 ( 0.703 -8.048 -2.351) 8.414 3.045 ( 1.215 -7.512 -5.494) 9.386 3.888 ( -0.973 9.895 4.873) 11.073 4.145 ( -1.641 11.043 -0.544) 11.177 6.042 ( 3.315 -10.110 9.771) 14.446 6.844 ( -7.908 -5.668 -1.395) 9.829 7.033 ( 6.589 -10.762 -1.262) 12.682 7.197 ( -4.699 2.055 2.264) 5.606 7.329 ( -2.200 -0.326 -9.709) 9.960 7.566 ( 8.098 -4.147 -13.207) 16.038 8.467 ( 3.104 -10.060 -0.955) 10.571 9.549 ( -4.140 15.401 15.092) 21.957 10.344 ( 1.215 9.343 3.486) 10.046 10.506 ( -4.339 1.880 -3.396) 5.822 10.587 ( 4.224 10.799 -0.145) 11.597 10.718 ( -3.183 1.196 -4.447) 5.598 12.588 ( -12.680 -6.755 -1.652) 14.462 12.912 ( 16.216 -14.861 0.010) 21.995 13.268 ( -1.969 -2.492 -3.979) 5.091 13.681 ( -0.749 7.220 -5.622) 9.181 14.407 ( 0.739 3.257 4.428) 5.547 14.469 ( -0.636 -0.056 1.487) 1.618 14.662 ( 1.056 5.635 -0.439) 5.750 14.791 ( -2.681 2.225 -5.562) 6.563 15.266 ( -1.561 -2.323 3.830) 4.744 15.322 ( 2.254 -3.493 0.635) 4.205 23.836 ( 1.015 -3.297 -2.362) 4.181 24.234 ( -0.462 3.030 0.722) 3.149 24.975 ( 1.831 -6.385 -1.608) 6.834 25.346 ( 0.131 -0.763 1.732) 1.897 25.703 ( -0.909 5.485 0.330) 5.569 25.843 ( -0.354 -2.016 0.474) 2.101 26.048 ( -0.812 7.627 -7.277) 10.573 26.150 ( -2.983 1.851 -7.344) 8.140 ======================= Grid point 220 (65/78) ======================= q-point: ( 0.43 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 0.642 0.649 2.111) 2.300 1.424 ( 2.671 3.431 -1.092) 4.483 1.488 ( 1.686 1.976 1.807) 3.164 1.510 ( 0.153 -1.663 0.801) 1.853 1.548 ( 3.961 5.880 7.009) 9.970 1.655 ( -0.257 -0.663 -2.607) 2.703 1.703 ( -2.476 -3.224 -2.847) 4.963 1.741 ( -3.516 -3.603 -3.125) 5.926 1.906 ( 2.983 3.054 4.364) 6.105 1.960 ( 0.162 -0.807 6.602) 6.653 2.050 ( 0.246 0.612 0.188) 0.685 2.088 ( -2.851 -1.485 2.962) 4.371 2.132 ( -0.611 -0.853 -0.351) 1.107 2.228 ( 2.596 1.066 -0.449) 2.842 2.247 ( -1.075 0.310 -0.686) 1.312 2.393 ( -2.646 -2.714 -3.714) 5.307 2.611 ( 4.985 3.367 0.383) 6.028 2.702 ( 1.694 2.891 0.591) 3.403 2.724 ( -0.172 -0.222 2.461) 2.477 2.851 ( -0.210 1.748 -2.560) 3.107 2.891 ( -2.417 -4.285 -2.603) 5.566 2.935 ( -3.592 -3.389 -7.656) 9.111 4.024 ( 3.737 3.728 6.831) 8.633 4.298 ( 4.323 4.365 1.178) 6.256 5.913 ( -3.282 -3.277 8.040) 9.281 6.752 ( -1.237 -0.396 -1.862) 2.271 6.834 ( -8.389 -9.266 -1.532) 12.593 7.247 ( 1.977 2.295 8.327) 8.861 7.386 ( 4.734 1.977 -18.238) 18.945 7.468 ( -5.430 -3.167 -17.876) 18.949 8.314 ( -4.746 -4.599 -2.500) 7.066 9.771 ( 6.627 6.825 12.526) 15.729 10.486 ( 3.213 0.966 4.957) 5.986 10.498 ( 0.166 1.872 3.978) 4.400 10.742 ( 2.599 7.468 -1.970) 8.149 10.778 ( 4.343 -0.233 -1.811) 4.711 12.528 ( 1.238 0.637 -0.553) 1.498 12.655 ( -10.593 -9.994 -2.089) 14.712 13.219 ( -1.663 -1.465 -6.141) 6.529 13.782 ( 2.841 2.723 -5.814) 7.020 14.446 ( 0.542 1.486 4.022) 4.322 14.462 ( 0.062 -1.026 3.876) 4.010 14.782 ( 4.344 4.920 -4.327) 7.861 14.825 ( 1.561 1.054 -6.190) 6.470 15.206 ( -3.201 -3.343 3.354) 5.716 15.270 ( -1.179 -0.992 4.110) 4.389 23.794 ( -1.099 -1.103 -2.644) 3.069 24.271 ( 0.902 0.920 1.192) 1.756 24.891 ( -2.208 -2.163 -1.830) 3.592 25.332 ( -0.480 -0.539 1.964) 2.092 25.787 ( 2.710 -0.353 0.178) 2.738 25.800 ( -1.671 1.349 0.292) 2.167 26.162 ( 2.622 3.468 -8.038) 9.138 26.180 ( 1.639 0.834 -7.897) 8.109 ======================= Grid point 245 (66/78) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 0.000 0.000 0.584) 0.584 1.062 ( 0.000 -0.000 0.584) 0.584 1.461 ( 0.000 0.000 -0.111) 0.111 1.461 ( 0.000 0.000 -0.111) 0.111 1.610 ( 0.000 0.000 0.986) 0.986 1.630 ( 0.000 0.000 -0.971) 0.971 1.925 ( 0.000 0.000 0.374) 0.374 1.925 ( 0.000 0.000 0.374) 0.374 1.989 ( 0.000 -0.000 0.332) 0.332 1.989 ( 0.000 0.000 0.332) 0.332 2.118 ( 0.000 0.000 0.784) 0.784 2.132 ( 0.000 0.000 -0.477) 0.477 2.249 ( 0.000 0.000 -1.018) 1.018 2.249 ( 0.000 0.000 -1.018) 1.018 2.282 ( -0.000 0.000 3.170) 3.170 2.333 ( 0.000 0.000 -1.858) 1.858 2.541 ( 0.000 0.000 -0.455) 0.455 2.541 ( 0.000 0.000 -0.400) 0.400 2.671 ( 0.000 0.000 0.446) 0.446 2.671 ( 0.000 -0.000 0.446) 0.446 3.500 ( 0.000 0.000 7.076) 7.076 3.588 ( 0.000 0.000 -2.678) 2.678 3.670 ( 0.000 0.000 13.292) 13.292 3.943 ( -0.000 0.000 -13.309) 13.309 6.207 ( 0.000 0.000 -3.172) 3.172 6.207 ( 0.000 0.000 -3.172) 3.172 6.759 ( 0.000 0.000 17.671) 17.671 7.061 ( 0.000 0.000 -13.045) 13.045 7.398 ( 0.000 0.000 -2.685) 2.685 7.398 ( 0.000 0.000 -2.685) 2.685 9.399 ( -0.000 0.000 10.388) 10.388 9.545 ( 0.000 0.000 -4.082) 4.082 10.313 ( 0.000 0.000 -0.186) 0.186 10.313 ( 0.000 -0.000 -0.186) 0.186 10.798 ( 0.000 0.000 2.300) 2.300 10.798 ( -0.000 0.000 2.300) 2.300 12.063 ( 0.000 0.000 1.487) 1.487 12.158 ( -0.000 0.000 -7.635) 7.635 13.874 ( 0.000 0.000 1.584) 1.584 13.911 ( -0.000 0.000 -2.255) 2.255 14.463 ( 0.000 0.000 -1.007) 1.007 14.463 ( 0.000 -0.000 -1.007) 1.007 14.669 ( -0.000 0.000 0.158) 0.158 14.669 ( 0.000 0.000 0.158) 0.158 15.223 ( 0.000 0.000 3.038) 3.038 15.264 ( 0.000 0.000 -1.291) 1.291 24.085 ( 0.000 0.000 0.278) 0.278 24.095 ( 0.000 0.000 -0.823) 0.823 25.190 ( 0.000 0.000 -1.008) 1.008 25.190 ( 0.000 0.000 -1.008) 1.008 25.606 ( 0.000 0.000 2.460) 2.460 25.657 ( -0.000 0.000 -2.642) 2.642 25.885 ( 0.000 0.000 -0.063) 0.063 25.885 ( 0.000 -0.000 -0.063) 0.063 ======================= Grid point 246 (67/78) ======================= q-point: ( 0.14 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 4.576 -2.571 1.237) 5.392 1.121 ( 5.586 2.764 0.718) 6.274 1.438 ( -2.215 -1.323 0.766) 2.692 1.449 ( -1.667 2.164 -0.016) 2.732 1.593 ( -1.618 -1.763 0.333) 2.416 1.675 ( 4.475 1.306 -0.852) 4.739 1.818 ( -8.938 -5.175 -0.126) 10.329 1.903 ( -1.911 5.209 -0.162) 5.551 1.981 ( -0.792 1.685 0.565) 1.945 1.988 ( 0.455 -0.866 0.568) 1.131 2.112 ( -0.224 0.605 0.603) 0.883 2.128 ( -6.538 -0.410 -1.540) 6.729 2.131 ( -1.103 1.060 -0.813) 1.732 2.239 ( 0.119 -2.911 1.083) 3.108 2.327 ( 0.001 -4.637 0.675) 4.686 2.382 ( 1.506 2.252 -1.910) 3.315 2.496 ( -3.578 4.556 0.178) 5.795 2.569 ( 2.810 -1.315 -0.002) 3.102 2.693 ( 1.619 -0.237 0.954) 1.894 2.702 ( 2.554 -0.599 0.059) 2.624 3.470 ( -3.969 2.528 8.391) 9.621 3.570 ( -2.294 -3.915 -1.512) 4.783 3.614 ( -3.509 1.053 7.979) 8.780 3.837 ( -9.598 0.272 -12.199) 15.525 6.365 ( 14.693 -1.070 -1.513) 14.809 6.374 ( 16.035 1.896 -2.355) 16.318 6.760 ( 0.807 -0.312 13.493) 13.521 6.996 ( -5.390 0.589 -9.943) 11.325 7.425 ( 2.430 -6.929 -2.422) 7.731 7.486 ( 7.259 6.231 -2.897) 9.995 9.335 ( -6.115 -0.390 9.649) 11.431 9.451 ( -8.852 -0.070 -1.791) 9.031 10.232 ( -7.408 -4.082 -0.837) 8.499 10.344 ( 2.221 5.407 -1.593) 6.058 10.680 ( -10.646 -2.663 1.292) 11.050 10.762 ( -3.486 1.630 1.428) 4.105 12.209 ( 13.825 2.812 2.094) 14.263 12.312 ( 14.878 -2.926 -6.628) 16.548 13.815 ( -6.870 -1.504 -0.005) 7.032 13.852 ( -5.189 1.653 -0.646) 5.484 14.434 ( -2.658 0.245 -0.661) 2.750 14.499 ( 3.238 -0.733 -0.967) 3.458 14.616 ( -4.964 0.540 0.322) 5.004 14.674 ( 0.473 -0.071 0.048) 0.481 15.252 ( 2.654 0.019 2.843) 3.889 15.292 ( 2.534 -0.067 -1.417) 2.904 24.068 ( -1.597 1.648 0.165) 2.300 24.079 ( -1.434 -1.700 -0.776) 2.355 25.206 ( 1.258 -4.291 -0.571) 4.508 25.238 ( 4.573 4.853 -1.223) 6.780 25.581 ( -3.641 -0.359 1.098) 3.820 25.678 ( 3.446 0.158 -1.021) 3.598 25.871 ( -1.233 -1.746 -0.613) 2.224 25.918 ( 2.971 1.438 -0.237) 3.309 ======================= Grid point 247 (68/78) ======================= q-point: ( 0.29 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 4.867 -1.336 3.735) 6.278 1.250 ( 6.832 1.061 0.379) 6.925 1.389 ( -2.949 3.103 0.691) 4.336 1.391 ( -2.849 -4.101 0.209) 4.998 1.570 ( -1.291 -0.113 1.715) 2.149 1.649 ( -4.222 -0.160 -2.586) 4.953 1.802 ( 5.432 -0.467 -0.620) 5.487 1.876 ( -0.937 3.498 -0.610) 3.673 1.953 ( -2.144 -3.500 0.369) 4.121 1.992 ( -0.711 0.315 0.676) 1.030 2.001 ( -4.192 3.037 -1.322) 5.343 2.108 ( -0.495 1.893 -0.035) 1.957 2.124 ( -0.323 -0.155 -0.338) 0.493 2.244 ( -0.930 -3.642 4.194) 5.632 2.302 ( -8.302 1.236 -0.355) 8.401 2.341 ( 4.084 -3.766 -4.167) 6.944 2.448 ( -2.662 2.435 -0.092) 3.609 2.626 ( 2.735 1.771 0.213) 3.265 2.706 ( -0.896 -0.099 2.117) 2.301 2.738 ( 0.430 -2.044 -0.920) 2.282 3.354 ( -5.688 -0.643 4.931) 7.555 3.509 ( -4.551 0.508 0.379) 4.595 3.573 ( -1.531 2.405 0.236) 2.861 3.649 ( -7.426 -2.424 -6.706) 10.295 6.629 ( 7.738 -0.739 9.207) 12.050 6.763 ( 22.234 2.393 -1.813) 22.436 6.851 ( 4.685 8.772 -1.703) 10.090 6.915 ( 4.928 -6.604 -4.234) 9.264 7.465 ( 0.801 -9.031 -2.040) 9.293 7.602 ( 2.911 6.686 -2.208) 7.619 9.191 ( -7.918 -8.233 7.607) 13.724 9.255 ( -9.966 6.641 2.552) 12.245 10.083 ( -6.634 -3.260 -1.490) 7.540 10.326 ( -7.340 6.343 -3.462) 10.300 10.495 ( -4.013 -4.198 -0.302) 5.815 10.675 ( -5.203 2.098 -0.567) 5.639 12.543 ( 19.684 7.982 1.701) 21.309 12.675 ( 21.315 -8.721 -4.096) 23.391 13.615 ( -13.313 -4.304 -0.518) 14.001 13.709 ( -10.125 5.158 -0.168) 11.364 14.382 ( -2.208 -0.935 0.156) 2.402 14.502 ( -5.794 0.726 0.919) 5.912 14.573 ( 3.634 -0.429 -1.162) 3.840 14.682 ( 0.156 0.481 -0.318) 0.598 15.310 ( 2.980 0.045 2.164) 3.684 15.343 ( 2.259 -0.213 -1.224) 2.578 24.035 ( -1.481 4.580 -0.131) 4.816 24.048 ( -1.577 -4.746 -0.591) 5.036 25.229 ( 1.235 -6.498 0.047) 6.614 25.337 ( 4.176 10.911 -1.305) 11.755 25.501 ( -2.925 -3.115 0.567) 4.311 25.734 ( -0.399 0.030 0.028) 0.401 25.874 ( 3.323 -3.537 -1.849) 5.193 25.980 ( 2.934 2.376 -0.587) 3.820 ======================= Grid point 248 (69/78) ======================= q-point: ( 0.43 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 1.646 0.677 5.197) 5.493 1.312 ( -3.136 -2.202 2.660) 4.665 1.354 ( 3.671 -2.245 -1.446) 4.539 1.392 ( 0.057 0.923 -1.478) 1.743 1.565 ( 2.556 1.534 2.898) 4.157 1.628 ( -0.989 0.670 -1.818) 2.175 1.814 ( -0.466 -3.967 0.183) 3.999 1.888 ( 0.341 3.028 1.003) 3.208 1.931 ( -3.445 0.901 -0.506) 3.597 1.957 ( -1.910 2.604 -0.006) 3.230 1.998 ( 5.497 -1.824 -1.747) 6.049 2.101 ( 0.065 0.369 -0.586) 0.695 2.114 ( -1.572 0.681 0.044) 1.714 2.125 ( -6.928 3.298 -0.925) 7.729 2.255 ( 2.747 -2.865 2.165) 4.521 2.352 ( -6.041 -0.059 0.562) 6.067 2.487 ( 8.810 -4.817 -2.461) 10.338 2.641 ( -6.061 2.810 0.454) 6.696 2.674 ( 2.294 2.892 0.020) 3.691 2.716 ( -2.048 -3.404 -0.849) 4.062 3.309 ( 1.149 -7.329 -0.464) 7.433 3.386 ( -6.306 10.524 -2.557) 12.532 3.559 ( 0.179 -4.795 -0.146) 4.800 3.577 ( -1.684 1.688 -0.219) 2.394 6.711 ( 3.200 -4.391 7.083) 8.927 6.781 ( -4.218 5.989 1.098) 7.407 7.182 ( 18.117 -0.047 -0.026) 18.117 7.236 ( 18.410 4.314 -5.156) 19.599 7.420 ( -6.348 -5.731 -1.468) 8.677 7.538 ( -10.198 0.671 -2.419) 10.503 9.078 ( -2.542 -18.127 6.039) 19.275 9.106 ( -5.036 17.330 5.596) 18.895 10.021 ( 1.057 -0.627 -1.902) 2.265 10.129 ( -9.491 -0.075 -2.595) 9.840 10.505 ( 2.655 0.478 -2.634) 3.770 10.577 ( -4.639 0.737 -2.382) 5.267 12.937 ( 20.421 8.982 0.865) 22.326 13.091 ( 20.763 -10.412 -2.192) 23.331 13.311 ( -17.845 -6.954 0.199) 19.153 13.454 ( -16.277 8.482 -0.954) 18.379 14.364 ( 0.541 -2.191 0.803) 2.395 14.406 ( -3.755 2.117 1.001) 4.426 14.636 ( 2.722 -1.012 -0.931) 3.050 14.674 ( -1.141 0.957 -0.691) 1.642 15.356 ( 1.660 0.114 0.991) 1.937 15.369 ( 0.388 -0.220 -0.321) 0.550 24.017 ( -0.285 5.852 -0.325) 5.868 24.024 ( -0.884 -5.951 -0.456) 6.033 25.263 ( 2.492 -7.715 0.293) 8.113 25.326 ( -3.656 9.946 0.070) 10.597 25.546 ( 6.008 -0.856 -0.683) 6.107 25.664 ( -5.551 -0.914 -0.591) 5.657 25.966 ( 4.336 -3.445 -1.536) 5.747 26.011 ( -0.153 3.084 -1.054) 3.263 ======================= Grid point 253 (70/78) ======================= q-point: ( 0.14 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 0.993 1.240 1.126) 1.947 1.231 ( 6.282 5.723 1.210) 8.584 1.381 ( -2.958 -2.958 0.486) 4.211 1.506 ( 3.676 0.647 0.696) 3.796 1.593 ( -4.716 2.296 0.975) 5.335 1.661 ( 3.209 -2.052 -1.567) 4.119 1.754 ( -7.460 -0.816 -1.150) 7.592 1.903 ( 2.445 -4.902 0.365) 5.490 1.969 ( -0.508 -1.245 1.238) 1.828 1.992 ( -2.057 -1.228 -0.165) 2.402 2.068 ( -0.227 -0.482 -0.155) 0.555 2.131 ( 0.994 -1.226 -0.643) 1.704 2.163 ( 0.962 -3.364 -0.045) 3.499 2.230 ( -4.066 -2.713 -0.125) 4.890 2.246 ( -5.712 7.387 -0.413) 9.347 2.425 ( 0.081 0.863 -1.143) 1.434 2.514 ( 5.124 -4.059 1.264) 6.658 2.574 ( -0.313 -0.001 -0.333) 0.457 2.675 ( 0.565 3.068 0.110) 3.121 2.757 ( 2.006 2.862 0.791) 3.583 3.339 ( -6.501 -8.787 3.834) 11.583 3.452 ( -12.793 -10.815 2.552) 16.946 3.692 ( 5.131 5.758 0.778) 7.752 3.869 ( 0.919 0.788 -5.609) 5.738 6.415 ( 8.966 7.512 -1.449) 11.787 6.521 ( 10.492 9.635 1.544) 14.328 6.696 ( -3.619 -3.704 3.414) 6.203 7.030 ( 2.407 1.549 -3.414) 4.455 7.378 ( -3.569 2.470 -2.992) 5.272 7.602 ( 8.637 4.566 -2.013) 9.975 9.141 ( -14.931 -13.751 4.100) 20.708 9.492 ( 0.436 0.602 4.909) 4.965 10.206 ( -6.540 0.769 -3.940) 7.674 10.365 ( 7.304 -3.559 -0.521) 8.142 10.650 ( -9.056 -0.807 1.366) 9.194 10.723 ( 0.584 -4.949 0.979) 5.078 12.211 ( 6.248 3.478 -0.831) 7.199 12.515 ( 14.173 17.394 -3.085) 22.648 13.731 ( -10.027 -7.365 -0.356) 12.446 13.808 ( -2.522 -5.689 -0.405) 6.236 14.455 ( 0.362 -0.555 1.225) 1.393 14.489 ( -0.011 2.128 -2.291) 3.127 14.625 ( -0.455 -2.312 0.961) 2.545 14.646 ( -0.923 -0.236 -0.815) 1.254 15.271 ( 1.784 1.745 2.716) 3.689 15.311 ( 1.599 1.787 -1.436) 2.795 23.997 ( -3.740 -4.108 -0.432) 5.572 24.128 ( 1.573 2.096 -0.199) 2.628 25.152 ( -3.428 -1.266 -0.831) 3.747 25.316 ( 6.346 2.455 -0.542) 6.826 25.624 ( 1.602 1.720 1.635) 2.863 25.659 ( 0.726 1.313 -1.813) 2.353 25.875 ( -2.914 1.903 -0.349) 3.498 25.931 ( 3.983 0.036 -0.955) 4.096 ======================= Grid point 254 (71/78) ======================= q-point: ( 0.29 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 6.296 -0.909 1.257) 6.484 1.313 ( -0.180 0.678 2.152) 2.263 1.346 ( 1.582 1.353 -0.529) 2.148 1.467 ( -5.541 3.748 1.178) 6.793 1.579 ( 1.830 0.735 2.756) 3.389 1.672 ( -0.685 2.746 -3.516) 4.513 1.751 ( 5.371 -4.968 -0.601) 7.340 1.870 ( -5.212 -1.671 1.965) 5.815 1.935 ( 0.106 1.128 -0.105) 1.137 1.980 ( -0.434 -1.334 0.137) 1.410 2.066 ( -7.325 -0.886 -0.225) 7.381 2.112 ( 1.753 0.426 0.036) 1.804 2.139 ( -0.502 0.405 -0.341) 0.729 2.183 ( 0.991 0.262 2.088) 2.326 2.246 ( 3.042 -0.732 -4.247) 5.275 2.355 ( -6.035 0.139 -1.025) 6.123 2.551 ( -2.448 4.673 0.428) 5.293 2.615 ( 3.824 -2.192 2.126) 4.894 2.682 ( -0.448 1.132 -1.358) 1.824 2.771 ( -0.489 2.641 1.127) 2.912 3.192 ( -9.066 -10.736 0.062) 14.052 3.282 ( -2.558 -13.193 -0.481) 13.447 3.750 ( 1.087 9.798 1.201) 9.931 3.843 ( -2.868 12.457 -2.220) 12.975 6.522 ( -5.090 -9.357 6.355) 12.403 6.699 ( 18.574 -3.779 1.778) 19.038 6.881 ( 17.401 -0.231 -7.282) 18.865 7.049 ( -0.106 8.554 1.043) 8.618 7.346 ( -0.593 -1.975 -3.477) 4.043 7.678 ( -2.855 -0.022 -1.922) 3.442 8.863 ( -11.738 -16.935 3.046) 20.829 9.475 ( -1.348 9.644 7.889) 12.532 10.116 ( -2.214 5.592 -5.251) 7.983 10.405 ( -8.733 -0.453 -0.705) 8.773 10.511 ( 0.818 7.232 -0.645) 7.307 10.695 ( -3.489 -0.244 0.242) 3.506 12.448 ( 17.267 -7.705 -0.267) 18.910 12.815 ( 16.350 13.583 -2.327) 21.383 13.477 ( -15.866 -9.932 -0.193) 18.720 13.725 ( -6.148 -2.929 -0.578) 6.835 14.409 ( -2.962 3.344 0.104) 4.468 14.526 ( -0.047 1.402 0.353) 1.446 14.573 ( -0.624 0.556 1.103) 1.384 14.676 ( 1.660 -1.023 -2.064) 2.840 15.311 ( 2.189 0.129 2.177) 3.090 15.342 ( 1.334 0.061 -1.075) 1.715 23.934 ( -2.651 -5.387 -0.555) 6.030 24.143 ( 0.213 4.854 -0.140) 4.861 25.105 ( -1.488 -5.897 -0.454) 6.098 25.417 ( 2.749 -1.959 0.141) 3.379 25.604 ( 0.026 12.345 -0.276) 12.348 25.744 ( 3.102 -0.332 0.071) 3.121 25.821 ( -0.696 -0.652 -1.692) 1.942 26.010 ( 3.798 0.751 -1.228) 4.061 ======================= Grid point 255 (72/78) ======================= q-point: ( 0.43 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 3.624 -0.448 2.706) 4.545 1.299 ( 0.790 0.073 0.252) 0.833 1.370 ( 1.027 3.928 0.421) 4.082 1.433 ( 1.044 2.718 0.297) 2.926 1.595 ( -0.329 0.570 3.164) 3.232 1.661 ( -1.432 3.455 -0.391) 3.761 1.789 ( -2.713 1.328 1.056) 3.200 1.844 ( 3.724 -4.771 -0.467) 6.070 1.929 ( -3.616 -1.903 0.312) 4.098 1.961 ( -0.845 -2.413 -0.818) 2.684 1.975 ( 0.793 -0.228 -1.179) 1.439 2.115 ( -1.441 0.527 0.003) 1.534 2.125 ( -0.226 0.575 -0.513) 0.803 2.184 ( -6.717 2.130 -0.111) 7.048 2.262 ( 2.859 -0.244 1.558) 3.265 2.323 ( 2.854 -0.504 -3.962) 4.909 2.508 ( 0.526 7.701 1.826) 7.931 2.636 ( 0.011 -2.458 0.807) 2.587 2.683 ( -1.792 0.605 -2.335) 3.005 2.748 ( -0.211 3.162 0.170) 3.174 3.094 ( -1.347 -10.161 -2.455) 10.539 3.256 ( -1.251 -13.368 -0.001) 13.426 3.744 ( -1.169 12.810 2.663) 13.136 3.802 ( -0.570 16.882 -2.792) 17.121 6.447 ( -2.081 -14.883 4.441) 15.670 6.988 ( 1.637 4.793 4.961) 7.090 7.109 ( 14.087 -4.358 1.332) 14.806 7.218 ( 14.719 -6.942 -6.967) 17.703 7.321 ( -1.201 -2.612 -2.718) 3.956 7.469 ( -17.345 -7.127 -3.317) 19.044 8.731 ( -2.302 -16.272 2.959) 16.698 9.458 ( -0.354 17.728 7.905) 19.413 10.129 ( 3.218 10.454 -2.744) 11.277 10.225 ( -6.978 9.469 -1.513) 11.859 10.538 ( 0.745 2.952 -1.912) 3.595 10.606 ( -4.788 2.165 -1.919) 5.595 12.824 ( 20.131 -13.242 0.145) 24.096 13.118 ( 4.004 0.674 -0.323) 4.073 13.141 ( -7.789 -5.086 -1.232) 9.384 13.562 ( -10.850 3.039 -1.216) 11.333 14.374 ( -0.251 3.452 0.478) 3.494 14.475 ( -2.832 4.384 1.667) 5.479 14.614 ( 2.446 -1.171 0.859) 2.845 14.690 ( -0.380 0.581 -3.006) 3.085 15.347 ( 1.398 -0.945 1.017) 1.970 15.357 ( 0.157 -1.162 -0.060) 1.174 23.898 ( -1.046 -5.835 -0.627) 5.961 24.145 ( 0.191 6.075 -0.100) 6.079 25.095 ( 0.435 -8.706 -0.283) 8.721 25.406 ( -2.508 -0.854 0.618) 2.720 25.652 ( 2.400 9.078 1.112) 9.456 25.706 ( -2.139 5.819 -2.447) 6.665 25.893 ( 4.366 -3.762 -1.203) 5.887 26.056 ( 0.507 1.581 -1.675) 2.359 ======================= Grid point 256 (73/78) ======================= q-point: (-0.43 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -1.994 0.422 2.993) 3.621 1.351 ( 1.387 0.648 1.542) 2.173 1.396 ( -0.566 3.467 -0.177) 3.518 1.446 ( 1.302 4.840 0.420) 5.030 1.558 ( -2.004 0.330 3.316) 3.889 1.610 ( -2.736 -1.071 -2.777) 4.042 1.770 ( 1.023 -5.736 1.426) 5.998 1.880 ( -1.846 -1.882 0.015) 2.636 1.902 ( 1.157 0.562 0.654) 1.443 1.932 ( 1.399 1.616 -1.310) 2.507 2.032 ( -4.231 1.584 -2.351) 5.092 2.070 ( 5.757 -1.482 0.391) 5.957 2.115 ( -0.131 0.830 0.144) 0.853 2.126 ( 0.645 1.949 -1.270) 2.414 2.322 ( 2.857 1.475 2.185) 3.888 2.379 ( 2.058 1.891 -1.360) 3.109 2.537 ( -0.910 -1.554 2.048) 2.727 2.592 ( -4.703 1.752 -3.241) 5.974 2.673 ( 3.890 2.312 0.724) 4.583 2.777 ( 1.903 2.415 -0.614) 3.136 3.116 ( 3.454 -11.877 -2.196) 12.562 3.222 ( -1.705 -11.681 0.014) 11.805 3.738 ( 0.722 13.470 3.691) 13.985 3.816 ( 1.672 16.015 -3.940) 16.577 6.449 ( 2.180 -15.577 4.428) 16.340 6.930 ( -6.651 3.944 3.420) 8.455 7.082 ( -19.577 -6.231 -5.317) 21.221 7.166 ( -6.182 -3.607 -1.298) 7.274 7.420 ( 7.511 -6.303 1.561) 9.929 7.486 ( 11.037 -3.397 -4.391) 12.355 8.751 ( 4.202 -17.389 2.228) 18.028 9.457 ( 0.289 18.866 7.325) 20.240 10.160 ( 1.591 12.373 -0.317) 12.479 10.221 ( 3.579 9.006 -3.064) 10.164 10.518 ( -0.615 1.741 0.058) 1.847 10.584 ( 1.962 1.623 -4.209) 4.919 12.739 ( -19.644 -10.413 -0.447) 22.238 13.211 ( 11.918 -11.110 1.504) 16.362 13.245 ( -6.996 0.125 -1.371) 7.130 13.451 ( 9.204 6.975 -2.469) 11.810 14.407 ( 3.405 2.989 1.307) 4.716 14.439 ( -0.602 4.347 1.524) 4.646 14.642 ( -0.366 -0.561 -0.094) 0.677 14.665 ( -1.317 0.299 -2.503) 2.844 15.345 ( -1.264 -0.944 1.351) 2.077 15.362 ( -0.025 -1.090 -0.465) 1.186 23.895 ( 0.792 -5.690 -0.648) 5.781 24.151 ( 0.297 5.968 -0.057) 5.976 25.117 ( 1.555 -10.170 -0.407) 10.296 25.362 ( -1.725 2.061 0.452) 2.725 25.609 ( -2.885 4.778 0.295) 5.589 25.757 ( 3.300 8.158 -1.286) 8.893 25.942 ( 0.501 -3.774 -0.753) 3.881 26.020 ( -4.043 2.066 -2.198) 5.044 ======================= Grid point 257 (74/78) ======================= q-point: (-0.29 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -7.328 -0.733 2.573) 7.801 1.331 ( -4.503 4.003 0.966) 6.102 1.345 ( 0.170 -1.307 -0.198) 1.333 1.486 ( 1.893 5.162 0.355) 5.510 1.579 ( 3.416 0.804 0.539) 3.550 1.636 ( 2.389 -3.599 0.435) 4.342 1.789 ( -3.380 -2.861 -0.644) 4.474 1.804 ( 1.738 0.879 -0.980) 2.181 1.934 ( 2.182 -3.501 1.654) 4.445 1.965 ( 1.092 -0.650 -0.341) 1.316 2.053 ( 3.825 4.058 -0.524) 5.602 2.103 ( -0.642 1.287 -0.999) 1.752 2.128 ( 1.141 0.165 -0.231) 1.176 2.191 ( 2.902 -2.806 -0.304) 4.049 2.361 ( -3.231 -1.556 -0.490) 3.619 2.387 ( 3.553 2.976 1.510) 4.875 2.477 ( -1.702 3.686 -0.935) 4.166 2.562 ( -0.068 -2.802 -0.507) 2.848 2.723 ( 0.014 2.174 1.335) 2.551 2.794 ( -0.631 2.161 -0.310) 2.273 3.217 ( 3.970 -9.997 1.701) 10.891 3.248 ( 8.287 -14.036 -1.376) 16.358 3.751 ( -0.380 10.222 2.847) 10.618 3.854 ( 1.838 11.891 -4.061) 12.699 6.512 ( 2.762 -9.574 6.719) 12.019 6.692 ( -14.161 -4.540 -1.252) 14.924 6.790 ( -11.494 3.281 -5.447) 13.135 7.069 ( -3.262 6.588 0.195) 7.354 7.453 ( -2.948 -6.791 -1.306) 7.518 7.627 ( 2.767 4.633 -1.850) 5.705 8.895 ( 10.652 -18.354 2.372) 21.353 9.475 ( 1.479 10.423 7.031) 12.659 10.226 ( 0.650 4.076 -2.217) 4.685 10.260 ( 4.575 5.529 -3.310) 7.903 10.583 ( 6.057 3.455 2.253) 7.328 10.636 ( 3.074 -0.651 -2.250) 3.865 12.394 ( -14.836 -4.951 -0.854) 15.664 12.888 ( -20.009 10.865 -1.596) 22.825 13.528 ( 13.495 -12.644 0.115) 18.493 13.655 ( 9.754 -0.056 -1.308) 9.842 14.433 ( 0.797 3.623 2.379) 4.407 14.501 ( 4.066 0.413 -0.046) 4.087 14.593 ( -2.516 1.860 -2.557) 4.040 14.658 ( -0.446 -1.801 0.098) 1.858 15.311 ( -2.153 0.164 2.263) 3.128 15.347 ( -1.534 0.019 -1.262) 1.986 23.929 ( 2.727 -5.050 -0.594) 5.770 24.151 ( -0.420 4.488 -0.070) 4.508 25.140 ( 0.609 -8.595 -0.740) 8.648 25.341 ( -0.698 4.071 0.121) 4.132 25.591 ( 1.166 5.792 0.202) 5.912 25.764 ( -3.889 3.059 -0.355) 4.960 25.921 ( -2.169 -3.267 -0.534) 3.958 25.941 ( -2.379 3.227 -2.158) 4.553 ======================= Grid point 261 (75/78) ======================= q-point: ( 0.29 0.29 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 3.817 5.437 1.146) 6.741 1.315 ( -1.011 0.902 -0.215) 1.371 1.405 ( 3.298 3.565 1.025) 4.964 1.525 ( -4.110 3.179 1.278) 5.351 1.570 ( 2.694 -1.687 2.127) 3.825 1.627 ( 3.347 -6.843 -0.933) 7.675 1.760 ( -0.446 5.179 -0.868) 5.270 1.851 ( 1.278 -4.365 -0.149) 4.550 1.887 ( -0.521 -1.266 0.923) 1.650 1.949 ( -1.059 -1.043 -0.919) 1.748 2.094 ( -3.571 0.232 1.313) 3.812 2.119 ( 1.348 0.283 0.725) 1.556 2.133 ( 0.950 0.081 -0.007) 0.954 2.159 ( -0.371 0.161 -1.951) 1.992 2.329 ( -1.532 2.656 -0.941) 3.207 2.343 ( -3.921 0.602 -1.407) 4.210 2.545 ( 3.310 -1.832 1.605) 4.109 2.592 ( 4.301 0.052 -0.139) 4.303 2.758 ( -0.047 3.270 -0.714) 3.348 2.803 ( -0.993 0.764 1.624) 2.051 3.014 ( -7.807 -7.202 -2.730) 10.967 3.073 ( -5.677 -7.522 -0.275) 9.428 3.906 ( 5.539 5.698 2.655) 8.379 4.036 ( 6.677 7.220 -1.609) 9.965 6.322 ( -9.300 -9.787 4.703) 14.296 6.711 ( 6.409 4.813 2.458) 8.383 6.878 ( 6.396 2.003 -8.809) 11.069 7.145 ( 0.841 0.957 1.224) 1.767 7.347 ( -3.972 0.323 -0.655) 4.039 7.587 ( -9.384 -9.031 -3.065) 13.379 8.593 ( -11.636 -10.655 0.913) 15.804 9.646 ( 7.855 8.356 7.767) 13.851 10.261 ( 3.891 8.702 -5.124) 10.822 10.403 ( 3.323 0.816 -0.116) 3.424 10.624 ( 1.959 2.824 1.209) 3.643 10.664 ( 1.595 -2.847 -0.719) 3.342 12.391 ( 5.266 2.868 -1.044) 6.087 13.069 ( 7.414 11.181 -1.197) 13.469 13.239 ( -16.659 -14.251 -0.151) 21.924 13.640 ( -0.999 -4.567 -1.720) 4.981 14.475 ( 0.051 2.675 3.515) 4.417 14.535 ( 3.465 -0.977 0.793) 3.686 14.605 ( -2.146 2.983 -0.494) 3.708 14.655 ( 2.693 -0.724 -4.056) 4.922 15.314 ( 0.077 0.095 2.074) 2.078 15.341 ( -0.494 -0.206 -0.718) 0.896 23.848 ( -3.257 -3.396 -0.740) 4.763 24.215 ( 2.191 2.569 0.136) 3.379 25.008 ( -4.956 -4.030 -0.667) 6.422 25.383 ( 0.549 -1.340 0.513) 1.536 25.713 ( 6.368 -1.385 0.104) 6.518 25.813 ( -0.425 6.434 1.800) 6.695 25.870 ( 0.026 5.691 -3.842) 6.867 26.013 ( 4.049 -0.002 -2.103) 4.563 ======================= Grid point 262 (76/78) ======================= q-point: ( 0.43 0.29 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 2.203 1.142 1.089) 2.710 1.319 ( 2.442 2.372 -0.836) 3.506 1.467 ( 2.743 4.787 1.359) 5.682 1.495 ( 0.591 4.576 0.996) 4.720 1.603 ( 1.502 0.454 3.013) 3.397 1.685 ( -6.877 -3.788 0.015) 7.851 1.707 ( 2.662 -6.807 -1.096) 7.391 1.817 ( -5.142 -2.808 0.426) 5.875 1.899 ( 1.545 1.063 0.301) 1.899 1.964 ( 1.122 4.344 -3.086) 5.445 2.007 ( -0.258 4.291 1.927) 4.711 2.119 ( -1.442 0.008 0.183) 1.454 2.129 ( 0.562 -0.050 -0.645) 0.857 2.211 ( 1.999 -0.156 0.124) 2.009 2.226 ( -3.298 0.273 -0.270) 3.320 2.380 ( 2.454 1.941 -1.792) 3.606 2.601 ( 0.310 -0.112 1.302) 1.343 2.644 ( 1.345 3.486 2.558) 4.528 2.723 ( -0.947 4.269 -4.025) 5.944 2.782 ( -0.791 0.373 1.199) 1.484 2.940 ( -1.152 -6.288 -2.194) 6.759 3.004 ( -1.849 -11.600 -0.839) 11.776 3.968 ( 1.299 10.355 2.571) 10.748 4.117 ( 2.059 14.035 -1.124) 14.230 6.187 ( -3.985 -11.278 4.060) 12.631 6.884 ( 9.856 -7.952 5.872) 13.959 7.040 ( 0.969 -7.907 -1.567) 8.119 7.098 ( 4.141 -4.899 -8.506) 10.654 7.308 ( -14.032 -7.193 -5.408) 16.670 7.323 ( -2.001 2.020 0.670) 2.921 8.453 ( -3.321 -12.317 0.085) 12.757 9.770 ( 4.139 13.600 7.119) 15.899 10.361 ( 4.984 12.047 -1.252) 13.097 10.445 ( 2.828 11.841 -1.103) 12.224 10.602 ( -3.828 2.802 2.659) 5.439 10.668 ( -1.729 4.643 -3.855) 6.278 12.591 ( 14.053 -9.718 -0.775) 17.104 12.896 ( -17.209 -13.001 0.659) 21.578 13.183 ( 3.848 -1.067 -1.785) 4.374 13.621 ( -1.223 3.985 -2.230) 4.728 14.473 ( 0.338 5.520 3.193) 6.386 14.554 ( -2.311 2.803 2.844) 4.614 14.602 ( 2.639 1.136 -0.945) 3.024 14.696 ( 0.732 0.081 -5.459) 5.509 15.310 ( -0.307 -2.990 0.614) 3.068 15.337 ( 0.050 -0.724 1.089) 1.308 23.805 ( -1.137 -3.646 -0.817) 3.905 24.242 ( 0.687 3.726 0.237) 3.796 24.948 ( -1.385 -6.179 -0.607) 6.361 25.378 ( -0.661 -1.464 0.622) 1.723 25.757 ( -3.075 3.831 0.847) 4.985 25.820 ( 3.868 -1.852 0.641) 4.336 25.909 ( 2.384 9.503 -3.877) 10.537 26.073 ( 1.305 0.229 -2.357) 2.704 ======================= Grid point 263 (77/78) ======================= q-point: (-0.43 0.29 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -1.209 0.683 1.410) 1.979 1.368 ( -1.571 1.264 0.105) 2.019 1.468 ( -2.338 3.633 0.826) 4.399 1.513 ( 0.950 0.766 1.213) 1.720 1.552 ( -0.591 1.109 -1.588) 2.025 1.623 ( -4.914 1.553 1.741) 5.439 1.720 ( 4.455 0.276 1.138) 4.606 1.795 ( 2.552 -6.995 -1.853) 7.673 1.901 ( -0.914 0.883 0.479) 1.358 1.989 ( -1.923 2.704 0.934) 3.447 2.056 ( 2.317 0.853 1.222) 2.755 2.086 ( 1.118 2.888 -1.527) 3.453 2.153 ( -1.646 2.992 -0.238) 3.423 2.159 ( 1.575 0.925 -0.909) 2.040 2.283 ( 3.349 -3.566 0.378) 4.907 2.396 ( -1.171 -0.829 -1.095) 1.804 2.550 ( -2.380 2.934 2.247) 4.396 2.637 ( -3.787 2.721 -1.655) 4.948 2.745 ( 3.188 3.748 0.656) 4.964 2.802 ( 1.686 0.199 -0.755) 1.858 2.936 ( 0.930 -7.052 -2.247) 7.459 2.995 ( 1.213 -10.692 -0.751) 10.787 3.969 ( -1.239 10.372 2.860) 10.830 4.121 ( -1.811 13.739 -1.384) 13.927 6.184 ( 3.812 -11.160 3.986) 12.449 6.867 ( -10.202 -5.932 4.054) 12.478 6.993 ( -7.782 -4.427 -5.823) 10.680 7.091 ( 3.568 -5.770 -2.544) 7.245 7.340 ( 1.676 -0.630 2.320) 2.930 7.356 ( 13.335 -8.534 -6.575) 17.143 8.455 ( 3.582 -12.778 -0.286) 13.274 9.775 ( -3.865 13.278 6.753) 15.390 10.396 ( -2.295 10.976 0.798) 11.241 10.449 ( -4.653 11.100 -0.926) 12.072 10.587 ( 4.456 6.312 -0.014) 7.726 10.636 ( -0.337 3.648 -3.054) 4.770 12.560 ( -13.481 -7.297 -0.897) 15.355 12.926 ( 16.587 -15.325 0.819) 22.597 13.211 ( -2.038 -4.271 -1.620) 5.002 13.596 ( -0.414 7.052 -2.498) 7.493 14.498 ( 2.132 5.215 3.005) 6.385 14.514 ( -1.808 2.986 3.679) 5.071 14.638 ( 0.898 0.741 -1.365) 1.794 14.674 ( -2.695 0.599 -5.568) 6.215 15.311 ( 0.347 -2.949 0.862) 3.092 15.338 ( 0.055 -0.900 0.792) 1.200 23.805 ( 1.089 -3.577 -0.822) 3.828 24.244 ( -0.534 3.540 0.256) 3.589 24.952 ( 1.709 -6.670 -0.643) 6.916 25.369 ( 0.026 -0.518 0.597) 0.791 25.711 ( -1.310 5.255 0.321) 5.425 25.859 ( 0.073 -2.641 1.019) 2.832 25.941 ( 0.322 7.734 -3.306) 8.417 26.049 ( -3.362 1.027 -2.731) 4.451 ======================= Grid point 269 (78/78) ======================= q-point: ( 0.43 0.43 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 0.290 0.316 0.867) 0.967 1.403 ( 2.590 5.373 -0.719) 6.008 1.518 ( 1.263 -2.448 1.302) 3.047 1.534 ( 1.623 -0.226 1.470) 2.202 1.586 ( 0.113 -0.851 -2.474) 2.619 1.622 ( -4.993 -2.799 -2.011) 6.067 1.655 ( 0.194 4.493 0.342) 4.511 1.727 ( -1.613 -4.965 0.812) 5.284 1.975 ( 6.149 5.834 2.642) 8.879 2.036 ( 2.097 1.465 -0.120) 2.561 2.081 ( 0.837 0.393 3.137) 3.271 2.126 ( -0.018 0.480 0.146) 0.502 2.132 ( -1.939 0.929 0.383) 2.185 2.212 ( 2.084 0.838 -0.690) 2.350 2.234 ( -1.481 -0.468 -0.497) 1.630 2.337 ( -3.889 -4.574 -1.508) 6.190 2.632 ( 4.228 2.931 1.428) 5.339 2.699 ( 3.146 3.159 -0.948) 4.558 2.772 ( -0.601 -1.050 2.254) 2.558 2.796 ( -1.309 1.476 -2.103) 2.883 2.842 ( -3.116 -3.538 -2.362) 5.273 2.844 ( -3.481 -4.483 -1.775) 5.947 4.117 ( 4.261 4.279 2.493) 6.533 4.307 ( 5.048 5.104 0.002) 7.179 6.036 ( -3.982 -4.017 3.605) 6.707 6.796 ( -0.207 -0.244 5.648) 5.657 6.873 ( -7.182 -7.611 4.796) 11.512 7.054 ( 3.194 1.512 -13.619) 14.070 7.161 ( -8.921 -6.960 -11.260) 15.963 7.379 ( 1.568 1.698 3.281) 4.013 8.277 ( -5.068 -5.086 -1.057) 7.258 9.949 ( 4.504 4.559 4.894) 8.064 10.550 ( 4.325 6.606 1.771) 8.092 10.591 ( 3.861 1.046 4.901) 6.326 10.684 ( 3.733 6.761 -3.821) 8.617 10.736 ( 3.201 0.597 -1.731) 3.688 12.492 ( 0.622 -0.043 -1.613) 1.730 12.662 ( -10.415 -9.739 1.077) 14.299 13.134 ( -2.538 -2.319 -2.318) 4.146 13.695 ( 2.771 2.594 -2.534) 4.564 14.547 ( 0.824 2.060 6.000) 6.397 14.560 ( 0.883 -0.599 5.885) 5.981 14.673 ( 1.653 3.323 -6.348) 7.354 14.694 ( 1.442 -0.024 -6.738) 6.891 15.252 ( -2.265 -2.226 1.217) 3.401 15.327 ( -0.265 -0.259 1.520) 1.565 23.758 ( -1.200 -1.206 -0.918) 1.934 24.287 ( 1.074 1.101 0.440) 1.600 24.865 ( -2.255 -2.220 -0.713) 3.243 25.358 ( -0.431 -0.500 0.651) 0.928 25.792 ( 2.735 -0.243 0.263) 2.758 25.809 ( -1.881 1.033 0.418) 2.186 26.050 ( 2.114 3.862 -3.081) 5.374 26.071 ( 1.660 -0.011 -2.924) 3.363 =================== 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 3/29106 10.0 82.366 82.366 88.272 0.000 -0.000 0.000 3/29106 20.0 14.017 14.017 11.991 0.000 -0.000 0.000 3/29106 30.0 7.504 7.504 5.502 0.000 0.000 0.000 3/29106 40.0 5.429 5.429 3.659 0.000 0.000 0.000 3/29106 50.0 4.399 4.399 2.850 0.000 0.000 0.000 3/29106 60.0 3.761 3.761 2.403 0.000 0.000 0.000 3/29106 70.0 3.310 3.310 2.113 0.000 0.000 0.000 3/29106 80.0 2.965 2.965 1.902 0.000 0.000 0.000 3/29106 90.0 2.688 2.688 1.735 0.000 0.000 0.000 3/29106 100.0 2.460 2.460 1.597 0.000 0.000 0.000 3/29106 110.0 2.267 2.267 1.479 0.000 0.000 0.000 3/29106 120.0 2.102 2.102 1.378 0.000 0.000 0.000 3/29106 130.0 1.959 1.959 1.288 0.000 0.000 0.000 3/29106 140.0 1.834 1.834 1.210 0.000 0.000 0.000 3/29106 150.0 1.725 1.725 1.140 0.000 0.000 0.000 3/29106 160.0 1.627 1.627 1.077 0.000 0.000 0.000 3/29106 170.0 1.540 1.540 1.021 0.000 0.000 0.000 3/29106 180.0 1.462 1.462 0.971 0.000 0.000 0.000 3/29106 190.0 1.392 1.392 0.926 0.000 0.000 0.000 3/29106 200.0 1.328 1.328 0.884 0.000 0.000 0.000 3/29106 210.0 1.270 1.270 0.847 0.000 0.000 0.000 3/29106 220.0 1.217 1.217 0.813 0.000 0.000 0.000 3/29106 230.0 1.168 1.168 0.781 0.000 0.000 0.000 3/29106 240.0 1.123 1.123 0.752 0.000 0.000 0.000 3/29106 250.0 1.082 1.082 0.726 0.000 0.000 0.000 3/29106 260.0 1.043 1.043 0.701 0.000 0.000 0.000 3/29106 270.0 1.008 1.008 0.678 0.000 0.000 0.000 3/29106 280.0 0.974 0.974 0.657 0.000 0.000 0.000 3/29106 290.0 0.943 0.943 0.637 0.000 0.000 0.000 3/29106 300.0 0.914 0.914 0.618 0.000 0.000 0.000 3/29106 310.0 0.887 0.887 0.601 0.000 0.000 0.000 3/29106 320.0 0.861 0.861 0.584 0.000 0.000 0.000 3/29106 330.0 0.837 0.837 0.568 0.000 0.000 0.000 3/29106 340.0 0.814 0.814 0.554 0.000 0.000 0.000 3/29106 350.0 0.792 0.792 0.540 0.000 0.000 0.000 3/29106 360.0 0.772 0.772 0.527 0.000 0.000 0.000 3/29106 370.0 0.752 0.752 0.514 0.000 0.000 0.000 3/29106 380.0 0.734 0.734 0.502 0.000 0.000 0.000 3/29106 390.0 0.716 0.716 0.491 0.000 0.000 0.000 3/29106 400.0 0.699 0.699 0.480 0.000 0.000 0.000 3/29106 410.0 0.683 0.683 0.470 0.000 0.000 0.000 3/29106 420.0 0.668 0.668 0.460 0.000 0.000 0.000 3/29106 430.0 0.654 0.654 0.450 0.000 0.000 0.000 3/29106 440.0 0.640 0.640 0.441 0.000 0.000 0.000 3/29106 450.0 0.626 0.626 0.433 0.000 0.000 0.000 3/29106 460.0 0.613 0.613 0.424 0.000 0.000 0.000 3/29106 470.0 0.601 0.601 0.416 0.000 0.000 0.000 3/29106 480.0 0.589 0.589 0.408 0.000 0.000 0.000 3/29106 490.0 0.578 0.578 0.401 0.000 0.000 0.000 3/29106 500.0 0.567 0.567 0.394 0.000 0.000 0.000 3/29106 510.0 0.556 0.556 0.387 0.000 0.000 0.000 3/29106 520.0 0.546 0.546 0.380 0.000 0.000 0.000 3/29106 530.0 0.536 0.536 0.374 0.000 0.000 0.000 3/29106 540.0 0.527 0.527 0.367 0.000 0.000 0.000 3/29106 550.0 0.518 0.518 0.361 0.000 0.000 0.000 3/29106 560.0 0.509 0.509 0.355 0.000 0.000 0.000 3/29106 570.0 0.501 0.501 0.350 0.000 0.000 0.000 3/29106 580.0 0.492 0.492 0.344 0.000 0.000 0.000 3/29106 590.0 0.484 0.484 0.339 0.000 0.000 0.000 3/29106 600.0 0.477 0.477 0.334 0.000 0.000 0.000 3/29106 610.0 0.469 0.469 0.329 0.000 0.000 0.000 3/29106 620.0 0.462 0.462 0.324 0.000 0.000 0.000 3/29106 630.0 0.455 0.455 0.319 0.000 0.000 0.000 3/29106 640.0 0.448 0.448 0.315 0.000 0.000 0.000 3/29106 650.0 0.441 0.441 0.310 0.000 0.000 0.000 3/29106 660.0 0.435 0.435 0.306 0.000 0.000 0.000 3/29106 670.0 0.429 0.429 0.302 0.000 0.000 0.000 3/29106 680.0 0.423 0.423 0.297 0.000 0.000 0.000 3/29106 690.0 0.417 0.417 0.293 0.000 0.000 0.000 3/29106 700.0 0.411 0.411 0.290 0.000 0.000 0.000 3/29106 710.0 0.405 0.405 0.286 0.000 0.000 0.000 3/29106 720.0 0.400 0.400 0.282 0.000 0.000 0.000 3/29106 730.0 0.395 0.395 0.278 0.000 0.000 0.000 3/29106 740.0 0.390 0.390 0.275 0.000 0.000 0.000 3/29106 750.0 0.385 0.385 0.272 0.000 0.000 0.000 3/29106 760.0 0.380 0.380 0.268 0.000 0.000 0.000 3/29106 770.0 0.375 0.375 0.265 0.000 0.000 0.000 3/29106 780.0 0.370 0.370 0.262 0.000 0.000 0.000 3/29106 790.0 0.366 0.366 0.259 0.000 0.000 0.000 3/29106 800.0 0.361 0.361 0.256 0.000 0.000 0.000 3/29106 810.0 0.357 0.357 0.253 0.000 0.000 0.000 3/29106 820.0 0.353 0.353 0.250 0.000 0.000 0.000 3/29106 830.0 0.349 0.349 0.247 0.000 0.000 0.000 3/29106 840.0 0.345 0.345 0.244 0.000 0.000 0.000 3/29106 850.0 0.341 0.341 0.241 0.000 0.000 0.000 3/29106 860.0 0.337 0.337 0.239 0.000 0.000 0.000 3/29106 870.0 0.333 0.333 0.236 0.000 0.000 0.000 3/29106 880.0 0.329 0.329 0.234 0.000 0.000 0.000 3/29106 890.0 0.326 0.326 0.231 0.000 0.000 0.000 3/29106 900.0 0.322 0.322 0.229 0.000 0.000 0.000 3/29106 910.0 0.319 0.319 0.226 0.000 0.000 0.000 3/29106 920.0 0.315 0.315 0.224 0.000 0.000 0.000 3/29106 930.0 0.312 0.312 0.222 0.000 0.000 0.000 3/29106 940.0 0.309 0.309 0.219 0.000 0.000 0.000 3/29106 950.0 0.306 0.306 0.217 0.000 0.000 0.000 3/29106 960.0 0.303 0.303 0.215 0.000 0.000 0.000 3/29106 970.0 0.299 0.299 0.213 0.000 0.000 0.000 3/29106 980.0 0.296 0.296 0.211 0.000 0.000 0.000 3/29106 990.0 0.294 0.294 0.209 0.000 0.000 0.000 3/29106 1000.0 0.291 0.291 0.207 0.000 0.000 0.000 3/29106 Thermal conductivity related properties were written into "kappa-m7711.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:28:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|