----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:36:33]------------------------- 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: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.990292609999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.091480079999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.367921619999999 Atomic positions (fractional): *1 Mg 0.42958116897256 0.25000000000000 0.15844538622169 24.305 2 Mg 0.07041883102743 0.75000000000000 0.65844538622169 24.305 3 Mg 0.92958116897257 0.25000000000000 0.34155461377831 24.305 4 Mg 0.57041883102743 0.75000000000000 0.84155461377831 24.305 *5 Si 0.91905841342414 0.25000000000000 0.63316796037203 28.085 *6 Si 0.08418814610359 0.25000000000000 0.10143001743501 28.085 7 Si 0.58418814610360 0.25000000000000 0.39856998256499 28.085 8 Si 0.91581185389640 0.75000000000000 0.89856998256499 28.085 9 Si 0.08094158657586 0.75000000000000 0.36683203962797 28.085 10 Si 0.41905841342414 0.25000000000000 0.86683203962797 28.085 11 Si 0.58094158657586 0.75000000000000 0.13316796037203 28.085 12 Si 0.41581185389641 0.75000000000000 0.60143001743501 28.085 *13 B 0.83061374219424 0.51456327382154 0.53328569900296 10.811 *14 B 0.29160289767241 0.59220748636238 0.16630133553214 10.811 15 B 0.16938625780576 0.48543672617846 0.46671430099704 10.811 *16 B 0.64746547098943 0.25000000000000 0.15478241681279 10.811 *17 B 0.17315928548712 0.51683064970801 0.02982575886661 10.811 *18 B 0.21320478769972 0.59120111808599 0.83304859376582 10.811 19 B 0.14746547098943 0.25000000000000 0.34521758318721 10.811 *20 B 0.34669827615696 0.25000000000000 0.64817735274116 10.811 21 B 0.35253452901057 0.75000000000000 0.84521758318721 10.811 22 B 0.21320478769972 0.90879888191401 0.83304859376582 10.811 *23 B 0.59740574225195 0.25000000000000 0.94330030774328 10.811 24 B 0.29160289767241 0.90779251363762 0.16630133553214 10.811 25 B 0.40259425774805 0.75000000000000 0.05669969225672 10.811 26 B 0.33061374219424 0.51456327382154 0.96671430099704 10.811 27 B 0.70839710232759 0.09220748636238 0.83369866446786 10.811 28 B 0.71320478769972 0.59120111808599 0.66695140623418 10.811 29 B 0.67315928548712 0.98316935029199 0.47017424113339 10.811 30 B 0.71320478769972 0.90879888191401 0.66695140623418 10.811 31 B 0.28679521230028 0.09120111808600 0.33304859376582 10.811 32 B 0.67315928548712 0.51683064970801 0.47017424113339 10.811 33 B 0.82684071451288 0.01683064970801 0.97017424113339 10.811 34 B 0.20839710232759 0.40779251363762 0.66630133553214 10.811 35 B 0.83061374219424 0.98543672617846 0.53328569900296 10.811 *36 B 0.39895631541040 0.25000000000000 0.44508761138863 10.811 37 B 0.66938625780576 0.01456327382155 0.03328569900296 10.811 38 B 0.10104368458960 0.75000000000000 0.94508761138863 10.811 39 B 0.84669827615696 0.25000000000000 0.85182264725884 10.811 40 B 0.78679521230028 0.09120111808600 0.16695140623418 10.811 41 B 0.66938625780576 0.48543672617846 0.03328569900296 10.811 42 B 0.65330172384304 0.75000000000000 0.35182264725884 10.811 43 B 0.82684071451288 0.48316935029199 0.97017424113339 10.811 44 B 0.28679521230028 0.40879888191400 0.33304859376582 10.811 45 B 0.89895631541040 0.25000000000000 0.05491238861137 10.811 46 B 0.32684071451288 0.48316935029199 0.52982575886661 10.811 47 B 0.79160289767241 0.59220748636238 0.33369866446786 10.811 48 B 0.16938625780576 0.01456327382155 0.46671430099704 10.811 49 B 0.79160289767241 0.90779251363762 0.33369866446786 10.811 50 B 0.17315928548712 0.98316935029199 0.02982575886661 10.811 51 B 0.33061374219424 0.98543672617846 0.96671430099704 10.811 52 B 0.78679521230028 0.40879888191400 0.16695140623418 10.811 53 B 0.60104368458960 0.75000000000000 0.55491238861137 10.811 54 B 0.15330172384304 0.75000000000000 0.14817735274116 10.811 55 B 0.32684071451288 0.01683064970801 0.52982575886661 10.811 56 B 0.20839710232759 0.09220748636238 0.66630133553214 10.811 57 B 0.70839710232759 0.40779251363762 0.83369866446786 10.811 58 B 0.09740574225196 0.25000000000000 0.55669969225672 10.811 59 B 0.85253452901057 0.75000000000000 0.65478241681279 10.811 60 B 0.90259425774805 0.75000000000000 0.44330030774328 10.811 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.990292609999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.091480079999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.367921619999999 Atomic positions (fractional): *1 Mg 0.42958116897256 0.25000000000000 0.15844538622169 24.305 > 1 2 Mg 0.07041883102743 0.75000000000000 0.65844538622169 24.305 > 2 3 Mg 0.92958116897257 0.25000000000000 0.34155461377831 24.305 > 3 4 Mg 0.57041883102743 0.75000000000000 0.84155461377831 24.305 > 4 *5 Si 0.91905841342414 0.25000000000000 0.63316796037203 28.085 > 5 *6 Si 0.08418814610359 0.25000000000000 0.10143001743501 28.085 > 6 7 Si 0.58418814610360 0.25000000000000 0.39856998256499 28.085 > 7 8 Si 0.91581185389640 0.75000000000000 0.89856998256499 28.085 > 8 9 Si 0.08094158657586 0.75000000000000 0.36683203962797 28.085 > 9 10 Si 0.41905841342414 0.25000000000000 0.86683203962797 28.085 > 10 11 Si 0.58094158657586 0.75000000000000 0.13316796037203 28.085 > 11 12 Si 0.41581185389641 0.75000000000000 0.60143001743501 28.085 > 12 *13 B 0.83061374219424 0.51456327382154 0.53328569900296 10.811 > 13 *14 B 0.29160289767241 0.59220748636238 0.16630133553214 10.811 > 14 15 B 0.16938625780576 0.48543672617846 0.46671430099704 10.811 > 15 *16 B 0.64746547098943 0.25000000000000 0.15478241681279 10.811 > 16 *17 B 0.17315928548712 0.51683064970801 0.02982575886661 10.811 > 17 *18 B 0.21320478769972 0.59120111808599 0.83304859376582 10.811 > 18 19 B 0.14746547098943 0.25000000000000 0.34521758318721 10.811 > 19 *20 B 0.34669827615696 0.25000000000000 0.64817735274116 10.811 > 20 21 B 0.35253452901057 0.75000000000000 0.84521758318721 10.811 > 21 22 B 0.21320478769972 0.90879888191401 0.83304859376582 10.811 > 22 *23 B 0.59740574225195 0.25000000000000 0.94330030774328 10.811 > 23 24 B 0.29160289767241 0.90779251363762 0.16630133553214 10.811 > 24 25 B 0.40259425774805 0.75000000000000 0.05669969225672 10.811 > 25 26 B 0.33061374219424 0.51456327382154 0.96671430099704 10.811 > 26 27 B 0.70839710232759 0.09220748636238 0.83369866446786 10.811 > 27 28 B 0.71320478769972 0.59120111808599 0.66695140623418 10.811 > 28 29 B 0.67315928548712 0.98316935029199 0.47017424113339 10.811 > 29 30 B 0.71320478769972 0.90879888191401 0.66695140623418 10.811 > 30 31 B 0.28679521230028 0.09120111808600 0.33304859376582 10.811 > 31 32 B 0.67315928548712 0.51683064970801 0.47017424113339 10.811 > 32 33 B 0.82684071451288 0.01683064970801 0.97017424113339 10.811 > 33 34 B 0.20839710232759 0.40779251363762 0.66630133553214 10.811 > 34 35 B 0.83061374219424 0.98543672617846 0.53328569900296 10.811 > 35 *36 B 0.39895631541040 0.25000000000000 0.44508761138863 10.811 > 36 37 B 0.66938625780576 0.01456327382155 0.03328569900296 10.811 > 37 38 B 0.10104368458960 0.75000000000000 0.94508761138863 10.811 > 38 39 B 0.84669827615696 0.25000000000000 0.85182264725884 10.811 > 39 40 B 0.78679521230028 0.09120111808600 0.16695140623418 10.811 > 40 41 B 0.66938625780576 0.48543672617846 0.03328569900296 10.811 > 41 42 B 0.65330172384304 0.75000000000000 0.35182264725884 10.811 > 42 43 B 0.82684071451288 0.48316935029199 0.97017424113339 10.811 > 43 44 B 0.28679521230028 0.40879888191400 0.33304859376582 10.811 > 44 45 B 0.89895631541040 0.25000000000000 0.05491238861137 10.811 > 45 46 B 0.32684071451288 0.48316935029199 0.52982575886661 10.811 > 46 47 B 0.79160289767241 0.59220748636238 0.33369866446786 10.811 > 47 48 B 0.16938625780576 0.01456327382155 0.46671430099704 10.811 > 48 49 B 0.79160289767241 0.90779251363762 0.33369866446786 10.811 > 49 50 B 0.17315928548712 0.98316935029199 0.02982575886661 10.811 > 50 51 B 0.33061374219424 0.98543672617846 0.96671430099704 10.811 > 51 52 B 0.78679521230028 0.40879888191400 0.16695140623418 10.811 > 52 53 B 0.60104368458960 0.75000000000000 0.55491238861137 10.811 > 53 54 B 0.15330172384304 0.75000000000000 0.14817735274116 10.811 > 54 55 B 0.32684071451288 0.01683064970801 0.52982575886661 10.811 > 55 56 B 0.20839710232759 0.09220748636238 0.66630133553214 10.811 > 56 57 B 0.70839710232759 0.40779251363762 0.83369866446786 10.811 > 57 58 B 0.09740574225196 0.25000000000000 0.55669969225672 10.811 > 58 59 B 0.85253452901057 0.75000000000000 0.65478241681279 10.811 > 59 60 B 0.90259425774805 0.75000000000000 0.44330030774328 10.811 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.990292609999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.182960159999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.367921619999999 Atomic positions (fractional): *1 Mg 0.42958116897256 0.12500000000000 0.15844538622169 24.305 > 1 2 Mg 0.42958116897256 0.62500000000000 0.15844538622169 24.305 > 1 3 Mg 0.07041883102743 0.37500000000000 0.65844538622169 24.305 > 2 4 Mg 0.07041883102743 0.87500000000000 0.65844538622169 24.305 > 2 5 Mg 0.92958116897257 0.12500000000000 0.34155461377831 24.305 > 3 6 Mg 0.92958116897257 0.62500000000000 0.34155461377831 24.305 > 3 7 Mg 0.57041883102743 0.37500000000000 0.84155461377831 24.305 > 4 8 Mg 0.57041883102743 0.87500000000000 0.84155461377831 24.305 > 4 *9 Si 0.91905841342414 0.12500000000000 0.63316796037203 28.085 > 5 10 Si 0.91905841342414 0.62500000000000 0.63316796037203 28.085 > 5 *11 Si 0.08418814610359 0.12500000000000 0.10143001743501 28.085 > 6 12 Si 0.08418814610359 0.62500000000000 0.10143001743501 28.085 > 6 13 Si 0.58418814610360 0.12500000000000 0.39856998256499 28.085 > 7 14 Si 0.58418814610360 0.62500000000000 0.39856998256499 28.085 > 7 15 Si 0.91581185389640 0.37500000000000 0.89856998256499 28.085 > 8 16 Si 0.91581185389640 0.87500000000000 0.89856998256499 28.085 > 8 17 Si 0.08094158657586 0.37500000000000 0.36683203962797 28.085 > 9 18 Si 0.08094158657586 0.87500000000000 0.36683203962797 28.085 > 9 19 Si 0.41905841342414 0.12500000000000 0.86683203962797 28.085 > 10 20 Si 0.41905841342414 0.62500000000000 0.86683203962797 28.085 > 10 21 Si 0.58094158657586 0.37500000000000 0.13316796037203 28.085 > 11 22 Si 0.58094158657586 0.87500000000000 0.13316796037203 28.085 > 11 23 Si 0.41581185389641 0.37500000000000 0.60143001743501 28.085 > 12 24 Si 0.41581185389641 0.87500000000000 0.60143001743501 28.085 > 12 *25 B 0.83061374219424 0.25728163691077 0.53328569900296 10.811 > 13 26 B 0.83061374219424 0.75728163691077 0.53328569900296 10.811 > 13 *27 B 0.29160289767241 0.29610374318119 0.16630133553214 10.811 > 14 28 B 0.29160289767241 0.79610374318119 0.16630133553214 10.811 > 14 29 B 0.16938625780576 0.24271836308923 0.46671430099704 10.811 > 15 30 B 0.16938625780576 0.74271836308923 0.46671430099704 10.811 > 15 *31 B 0.64746547098943 0.12500000000000 0.15478241681279 10.811 > 16 32 B 0.64746547098943 0.62500000000000 0.15478241681279 10.811 > 16 *33 B 0.17315928548712 0.25841532485401 0.02982575886661 10.811 > 17 34 B 0.17315928548712 0.75841532485401 0.02982575886661 10.811 > 17 *35 B 0.21320478769972 0.29560055904300 0.83304859376582 10.811 > 18 36 B 0.21320478769972 0.79560055904300 0.83304859376582 10.811 > 18 37 B 0.14746547098943 0.12500000000000 0.34521758318721 10.811 > 19 38 B 0.14746547098943 0.62500000000000 0.34521758318721 10.811 > 19 *39 B 0.34669827615696 0.12500000000000 0.64817735274116 10.811 > 20 40 B 0.34669827615696 0.62500000000000 0.64817735274116 10.811 > 20 41 B 0.35253452901057 0.37500000000000 0.84521758318721 10.811 > 21 42 B 0.35253452901057 0.87500000000000 0.84521758318721 10.811 > 21 43 B 0.21320478769972 0.45439944095700 0.83304859376582 10.811 > 22 44 B 0.21320478769972 0.95439944095700 0.83304859376582 10.811 > 22 *45 B 0.59740574225195 0.12500000000000 0.94330030774328 10.811 > 23 46 B 0.59740574225195 0.62500000000000 0.94330030774328 10.811 > 23 47 B 0.29160289767241 0.45389625681881 0.16630133553214 10.811 > 24 48 B 0.29160289767241 0.95389625681881 0.16630133553214 10.811 > 24 49 B 0.40259425774805 0.37500000000000 0.05669969225672 10.811 > 25 50 B 0.40259425774805 0.87500000000000 0.05669969225672 10.811 > 25 51 B 0.33061374219424 0.25728163691077 0.96671430099704 10.811 > 26 52 B 0.33061374219424 0.75728163691077 0.96671430099704 10.811 > 26 53 B 0.70839710232759 0.04610374318119 0.83369866446786 10.811 > 27 54 B 0.70839710232759 0.54610374318119 0.83369866446786 10.811 > 27 55 B 0.71320478769972 0.29560055904300 0.66695140623418 10.811 > 28 56 B 0.71320478769972 0.79560055904300 0.66695140623418 10.811 > 28 57 B 0.67315928548712 0.49158467514599 0.47017424113339 10.811 > 29 58 B 0.67315928548712 0.99158467514599 0.47017424113339 10.811 > 29 59 B 0.71320478769972 0.45439944095700 0.66695140623418 10.811 > 30 60 B 0.71320478769972 0.95439944095700 0.66695140623418 10.811 > 30 61 B 0.28679521230028 0.04560055904300 0.33304859376582 10.811 > 31 62 B 0.28679521230028 0.54560055904300 0.33304859376582 10.811 > 31 63 B 0.67315928548712 0.25841532485401 0.47017424113339 10.811 > 32 64 B 0.67315928548712 0.75841532485401 0.47017424113339 10.811 > 32 65 B 0.82684071451288 0.00841532485401 0.97017424113339 10.811 > 33 66 B 0.82684071451288 0.50841532485401 0.97017424113339 10.811 > 33 67 B 0.20839710232759 0.20389625681881 0.66630133553214 10.811 > 34 68 B 0.20839710232759 0.70389625681881 0.66630133553214 10.811 > 34 69 B 0.83061374219424 0.49271836308923 0.53328569900296 10.811 > 35 70 B 0.83061374219424 0.99271836308923 0.53328569900296 10.811 > 35 *71 B 0.39895631541040 0.12500000000000 0.44508761138863 10.811 > 36 72 B 0.39895631541040 0.62500000000000 0.44508761138863 10.811 > 36 73 B 0.66938625780576 0.00728163691077 0.03328569900296 10.811 > 37 74 B 0.66938625780576 0.50728163691077 0.03328569900296 10.811 > 37 75 B 0.10104368458960 0.37500000000000 0.94508761138863 10.811 > 38 76 B 0.10104368458960 0.87500000000000 0.94508761138863 10.811 > 38 77 B 0.84669827615696 0.12500000000000 0.85182264725884 10.811 > 39 78 B 0.84669827615696 0.62500000000000 0.85182264725884 10.811 > 39 79 B 0.78679521230028 0.04560055904300 0.16695140623418 10.811 > 40 80 B 0.78679521230028 0.54560055904300 0.16695140623418 10.811 > 40 81 B 0.66938625780576 0.24271836308923 0.03328569900296 10.811 > 41 82 B 0.66938625780576 0.74271836308923 0.03328569900296 10.811 > 41 83 B 0.65330172384304 0.37500000000000 0.35182264725884 10.811 > 42 84 B 0.65330172384304 0.87500000000000 0.35182264725884 10.811 > 42 85 B 0.82684071451288 0.24158467514599 0.97017424113339 10.811 > 43 86 B 0.82684071451288 0.74158467514599 0.97017424113339 10.811 > 43 87 B 0.28679521230028 0.20439944095700 0.33304859376582 10.811 > 44 88 B 0.28679521230028 0.70439944095700 0.33304859376582 10.811 > 44 89 B 0.89895631541040 0.12500000000000 0.05491238861137 10.811 > 45 90 B 0.89895631541040 0.62500000000000 0.05491238861137 10.811 > 45 91 B 0.32684071451288 0.24158467514599 0.52982575886661 10.811 > 46 92 B 0.32684071451288 0.74158467514599 0.52982575886661 10.811 > 46 93 B 0.79160289767241 0.29610374318119 0.33369866446786 10.811 > 47 94 B 0.79160289767241 0.79610374318119 0.33369866446786 10.811 > 47 95 B 0.16938625780576 0.00728163691077 0.46671430099704 10.811 > 48 96 B 0.16938625780576 0.50728163691077 0.46671430099704 10.811 > 48 97 B 0.79160289767241 0.45389625681881 0.33369866446786 10.811 > 49 98 B 0.79160289767241 0.95389625681881 0.33369866446786 10.811 > 49 99 B 0.17315928548712 0.49158467514599 0.02982575886661 10.811 > 50 100 B 0.17315928548712 0.99158467514599 0.02982575886661 10.811 > 50 101 B 0.33061374219424 0.49271836308923 0.96671430099704 10.811 > 51 102 B 0.33061374219424 0.99271836308923 0.96671430099704 10.811 > 51 103 B 0.78679521230028 0.20439944095700 0.16695140623418 10.811 > 52 104 B 0.78679521230028 0.70439944095700 0.16695140623418 10.811 > 52 105 B 0.60104368458960 0.37500000000000 0.55491238861137 10.811 > 53 106 B 0.60104368458960 0.87500000000000 0.55491238861137 10.811 > 53 107 B 0.15330172384304 0.37500000000000 0.14817735274116 10.811 > 54 108 B 0.15330172384304 0.87500000000000 0.14817735274116 10.811 > 54 109 B 0.32684071451288 0.00841532485401 0.52982575886661 10.811 > 55 110 B 0.32684071451288 0.50841532485401 0.52982575886661 10.811 > 55 111 B 0.20839710232759 0.04610374318119 0.66630133553214 10.811 > 56 112 B 0.20839710232759 0.54610374318119 0.66630133553214 10.811 > 56 113 B 0.70839710232759 0.20389625681881 0.83369866446786 10.811 > 57 114 B 0.70839710232759 0.70389625681881 0.83369866446786 10.811 > 57 115 B 0.09740574225196 0.12500000000000 0.55669969225672 10.811 > 58 116 B 0.09740574225196 0.62500000000000 0.55669969225672 10.811 > 58 117 B 0.85253452901057 0.37500000000000 0.65478241681279 10.811 > 59 118 B 0.85253452901057 0.87500000000000 0.65478241681279 10.811 > 59 119 B 0.90259425774805 0.37500000000000 0.44330030774328 10.811 > 60 120 B 0.90259425774805 0.87500000000000 0.44330030774328 10.811 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.3111756 0.0000000 0.0000000 0.0000000 8.3909292 0.0000000 0.0000000 0.0000000 8.3637100 -------------------------- Born effective charges -------------------------- 1 Mg 2.6324401 0.0000000 -0.1230337 0.0000000 2.2096744 -0.0000000 -0.1744020 -0.0000000 2.6321505 2 Mg 2.6324401 0.0000000 0.1230337 0.0000000 2.2096744 -0.0000000 0.1744020 -0.0000000 2.6321505 3 Mg 2.6324401 0.0000000 0.1230337 0.0000000 2.2096744 -0.0000000 0.1744020 -0.0000000 2.6321505 4 Mg 2.6324401 0.0000000 -0.1230337 0.0000000 2.2096744 -0.0000000 -0.1744020 -0.0000000 2.6321505 5 Si 1.0263620 0.0000000 -0.1947112 0.0000000 0.8682558 -0.0000000 -0.1690707 -0.0000000 0.4551512 6 Si 1.1260693 0.0000000 0.2888731 0.0000000 0.9481610 -0.0000000 0.2433433 -0.0000000 0.9183260 7 Si 1.1260693 0.0000000 -0.2888731 0.0000000 0.9481610 -0.0000000 -0.2433433 -0.0000000 0.9183260 8 Si 1.1260693 0.0000000 0.2888731 0.0000000 0.9481610 -0.0000000 0.2433433 -0.0000000 0.9183260 9 Si 1.0263620 0.0000000 -0.1947112 0.0000000 0.8682558 -0.0000000 -0.1690707 -0.0000000 0.4551512 10 Si 1.0263620 0.0000000 0.1947112 0.0000000 0.8682558 -0.0000000 0.1690707 -0.0000000 0.4551512 11 Si 1.0263620 0.0000000 0.1947112 0.0000000 0.8682558 -0.0000000 0.1690707 -0.0000000 0.4551512 12 Si 1.1260693 0.0000000 -0.2888731 0.0000000 0.9481610 -0.0000000 -0.2433433 -0.0000000 0.9183260 13 B -0.5350743 -0.1983767 0.1379036 -0.3570558 -0.2333766 -0.2517294 0.0780799 -0.2308475 -0.7604039 14 B -0.4829191 0.0972262 -0.0366178 0.0793396 -0.2132347 -0.3401515 0.0451387 -0.2118279 0.0445269 15 B -0.5350743 -0.1983767 0.1379036 -0.3570558 -0.2333766 -0.2517294 0.0780799 -0.2308475 -0.7604039 16 B -0.8441859 0.0000000 -0.2246009 0.0000000 -0.6599731 -0.0000000 -0.5423439 -0.0000000 -0.2277031 17 B -0.5381916 0.3776791 -0.1393337 0.2886473 -0.1884190 -0.2217797 -0.1619477 -0.2906664 -0.6262566 18 B -0.4147998 0.0440398 -0.0859738 0.0865370 -0.1887046 0.2840500 -0.0613934 0.2365650 0.0125253 19 B -0.8441859 0.0000000 0.2246009 0.0000000 -0.6599731 -0.0000000 0.5423439 -0.0000000 -0.2277031 20 B -0.3621768 0.0000000 0.3864383 0.0000000 -0.5296273 -0.0000000 0.4741228 -0.0000000 0.4044449 21 B -0.8441859 0.0000000 -0.2246009 0.0000000 -0.6599731 -0.0000000 -0.5423439 -0.0000000 -0.2277031 22 B -0.4147998 -0.0440398 -0.0859738 -0.0865370 -0.1887046 -0.2840500 -0.0613934 -0.2365650 0.0125253 23 B 0.1617643 0.0000000 0.1332941 0.0000000 -0.6634246 -0.0000000 0.3542791 -0.0000000 -0.7141554 24 B -0.4829191 -0.0972262 -0.0366178 -0.0793396 -0.2132347 0.3401515 0.0451387 0.2118279 0.0445269 25 B 0.1617643 0.0000000 0.1332941 0.0000000 -0.6634246 -0.0000000 0.3542791 -0.0000000 -0.7141554 26 B -0.5350743 -0.1983767 -0.1379036 -0.3570558 -0.2333766 0.2517294 -0.0780799 0.2308475 -0.7604039 27 B -0.4829191 -0.0972262 -0.0366178 -0.0793396 -0.2132347 0.3401515 0.0451387 0.2118279 0.0445269 28 B -0.4147998 0.0440398 0.0859738 0.0865370 -0.1887046 -0.2840500 0.0613934 -0.2365650 0.0125253 29 B -0.5381916 -0.3776791 0.1393337 -0.2886473 -0.1884190 -0.2217797 0.1619477 -0.2906664 -0.6262566 30 B -0.4147998 -0.0440398 0.0859738 -0.0865370 -0.1887046 0.2840500 0.0613934 0.2365650 0.0125253 31 B -0.4147998 -0.0440398 0.0859738 -0.0865370 -0.1887046 0.2840500 0.0613934 0.2365650 0.0125253 32 B -0.5381916 0.3776791 0.1393337 0.2886473 -0.1884190 0.2217797 0.1619477 0.2906664 -0.6262566 33 B -0.5381916 -0.3776791 -0.1393337 -0.2886473 -0.1884190 0.2217797 -0.1619477 0.2906664 -0.6262566 34 B -0.4829191 0.0972262 0.0366178 0.0793396 -0.2132347 0.3401515 -0.0451387 0.2118279 0.0445269 35 B -0.5350743 0.1983767 0.1379036 0.3570558 -0.2333766 0.2517294 0.0780799 0.2308475 -0.7604039 36 B 0.2016964 0.0000000 -0.1953888 0.0000000 -0.5255966 -0.0000000 -0.2726637 -0.0000000 -0.8089977 37 B -0.5350743 0.1983767 -0.1379036 0.3570558 -0.2333766 -0.2517294 -0.0780799 -0.2308475 -0.7604039 38 B 0.2016964 0.0000000 0.1953888 0.0000000 -0.5255966 -0.0000000 0.2726637 -0.0000000 -0.8089977 39 B -0.3621768 0.0000000 -0.3864383 0.0000000 -0.5296273 -0.0000000 -0.4741228 -0.0000000 0.4044449 40 B -0.4147998 -0.0440398 -0.0859738 -0.0865370 -0.1887046 -0.2840500 -0.0613934 -0.2365650 0.0125253 41 B -0.5350743 -0.1983767 -0.1379036 -0.3570558 -0.2333766 0.2517294 -0.0780799 0.2308475 -0.7604039 42 B -0.3621768 0.0000000 0.3864383 0.0000000 -0.5296273 -0.0000000 0.4741228 -0.0000000 0.4044449 43 B -0.5381916 0.3776791 -0.1393337 0.2886473 -0.1884190 -0.2217797 -0.1619477 -0.2906664 -0.6262566 44 B -0.4147998 0.0440398 0.0859738 0.0865370 -0.1887046 -0.2840500 0.0613934 -0.2365650 0.0125253 45 B 0.2016964 0.0000000 0.1953888 0.0000000 -0.5255966 -0.0000000 0.2726637 -0.0000000 -0.8089977 46 B -0.5381916 0.3776791 0.1393337 0.2886473 -0.1884190 0.2217797 0.1619477 0.2906664 -0.6262566 47 B -0.4829191 0.0972262 0.0366178 0.0793396 -0.2132347 0.3401515 -0.0451387 0.2118279 0.0445269 48 B -0.5350743 0.1983767 0.1379036 0.3570558 -0.2333766 0.2517294 0.0780799 0.2308475 -0.7604039 49 B -0.4829191 -0.0972262 0.0366178 -0.0793396 -0.2132347 -0.3401515 -0.0451387 -0.2118279 0.0445269 50 B -0.5381916 -0.3776791 -0.1393337 -0.2886473 -0.1884190 0.2217797 -0.1619477 0.2906664 -0.6262566 51 B -0.5350743 0.1983767 -0.1379036 0.3570558 -0.2333766 -0.2517294 -0.0780799 -0.2308475 -0.7604039 52 B -0.4147998 0.0440398 -0.0859738 0.0865370 -0.1887046 0.2840500 -0.0613934 0.2365650 0.0125253 53 B 0.2016964 0.0000000 -0.1953888 0.0000000 -0.5255966 -0.0000000 -0.2726637 -0.0000000 -0.8089977 54 B -0.3621768 0.0000000 -0.3864383 0.0000000 -0.5296273 -0.0000000 -0.4741228 -0.0000000 0.4044449 55 B -0.5381916 -0.3776791 0.1393337 -0.2886473 -0.1884190 -0.2217797 0.1619477 -0.2906664 -0.6262566 56 B -0.4829191 -0.0972262 0.0366178 -0.0793396 -0.2132347 -0.3401515 -0.0451387 -0.2118279 0.0445269 57 B -0.4829191 0.0972262 -0.0366178 0.0793396 -0.2132347 -0.3401515 0.0451387 -0.2118279 0.0445269 58 B 0.1617643 0.0000000 -0.1332941 0.0000000 -0.6634246 -0.0000000 -0.3542791 -0.0000000 -0.7141554 59 B -0.8441859 0.0000000 0.2246009 0.0000000 -0.6599731 -0.0000000 0.5423439 -0.0000000 -0.2277031 60 B 0.1617643 0.0000000 -0.1332941 0.0000000 -0.6634246 -0.0000000 -0.3542791 -0.0000000 -0.7141554 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4234 Number of blocks in projector: 4234 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 998 Use submatrix version of eigh solver. (1) Block: 500 / 998 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 998 / 998 (1) 478 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 802 Use submatrix version of eigh solver. (1) Block: 500 / 802 (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: 802 / 802 (1) 294 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 802 Use submatrix version of eigh solver. (1) Block: 500 / 802 (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: 802 / 802 (1) 294 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 239 eigenvectors found. (2) Block: 544 / 544 (2) 284 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 533 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 239 eigenvectors found. (2) Block: 544 / 544 (2) 284 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 533 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 239 eigenvectors found. (2) Block: 544 / 544 (2) 284 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 533 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4234, 4163), data: False |-- (544, 533), data: False |-- (544, 533), data: False |-- (544, 10), data: (544, 21) @ (21, 10) |-- (294, 284), data: True |-- (250, 239), data: True |-- (544, 533), data: False |-- (544, 533), data: False |-- (544, 10), data: (544, 21) @ (21, 10) |-- (294, 284), data: True |-- (250, 239), data: True |-- (544, 533), data: False |-- (544, 533), data: False |-- (544, 10), data: (544, 21) @ (21, 10) |-- (294, 284), data: True |-- (250, 239), data: True |-- (802, 794), data: False |-- (802, 8), data: (802, 16) @ (16, 8) |-- (302, 294), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (802, 794), data: False |-- (802, 8), data: (802, 16) @ (16, 8) |-- (302, 294), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (998, 976), data: False |-- (998, 20), data: (998, 42) @ (42, 20) |-- (498, 478), data: True |-- (500, 478), data: False |-- (500, 22), data: (500, 44) @ (44, 22) |-- (250, 228), data: True |-- (250, 228), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.089 Solver_block: 200 / 960 - Time: 0.941 Solver_block: 300 / 960 - Time: 0.940 Solver_block: 400 / 960 - Time: 0.938 Solver_block: 500 / 960 - Time: 0.940 Solver_block: 600 / 960 - Time: 0.942 Solver_block: 700 / 960 - Time: 0.938 Solver_block: 800 / 960 - Time: 0.942 Solver_block: 900 / 960 - Time: 0.942 Solver_block: 960 / 960 - Time: 0.692 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.550 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4234 Number of blocks in projector: 4234 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 998 Use submatrix version of eigh solver. (1) Block: 500 / 998 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 998 / 998 (1) 478 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 802 Use submatrix version of eigh solver. (1) Block: 500 / 802 (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: 802 / 802 (1) 294 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 802 Use submatrix version of eigh solver. (1) Block: 500 / 802 (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: 802 / 802 (1) 294 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 239 eigenvectors found. (2) Block: 544 / 544 (2) 284 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 533 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 239 eigenvectors found. (2) Block: 544 / 544 (2) 284 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 533 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 239 eigenvectors found. (2) Block: 544 / 544 (2) 284 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 533 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4234, 4163), data: False |-- (544, 533), data: False |-- (544, 533), data: False |-- (544, 10), data: (544, 21) @ (21, 10) |-- (294, 284), data: True |-- (250, 239), data: True |-- (544, 533), data: False |-- (544, 533), data: False |-- (544, 10), data: (544, 21) @ (21, 10) |-- (294, 284), data: True |-- (250, 239), data: True |-- (544, 533), data: False |-- (544, 533), data: False |-- (544, 10), data: (544, 21) @ (21, 10) |-- (294, 284), data: True |-- (250, 239), data: True |-- (802, 794), data: False |-- (802, 8), data: (802, 16) @ (16, 8) |-- (302, 294), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (802, 794), data: False |-- (802, 8), data: (802, 16) @ (16, 8) |-- (302, 294), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (998, 976), data: False |-- (998, 20), data: (998, 42) @ (42, 20) |-- (498, 478), data: True |-- (500, 478), data: False |-- (500, 22), data: (500, 44) @ (44, 22) |-- (250, 228), data: True |-- (250, 228), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 17:37:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:37:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.990292609999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.091480079999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.367921619999999 Atomic positions (fractional): 1 Mg 0.42958116897256 0.25000000000000 0.15844538622169 24.305 2 Mg 0.07041883102743 0.75000000000000 0.65844538622169 24.305 3 Mg 0.92958116897257 0.25000000000000 0.34155461377831 24.305 4 Mg 0.57041883102743 0.75000000000000 0.84155461377831 24.305 5 Si 0.91905841342414 0.25000000000000 0.63316796037203 28.085 6 Si 0.08418814610359 0.25000000000000 0.10143001743501 28.085 7 Si 0.58418814610360 0.25000000000000 0.39856998256499 28.085 8 Si 0.91581185389640 0.75000000000000 0.89856998256499 28.085 9 Si 0.08094158657586 0.75000000000000 0.36683203962797 28.085 10 Si 0.41905841342414 0.25000000000000 0.86683203962797 28.085 11 Si 0.58094158657586 0.75000000000000 0.13316796037203 28.085 12 Si 0.41581185389641 0.75000000000000 0.60143001743501 28.085 13 B 0.83061374219424 0.51456327382154 0.53328569900296 10.811 14 B 0.29160289767241 0.59220748636238 0.16630133553214 10.811 15 B 0.16938625780576 0.48543672617846 0.46671430099704 10.811 16 B 0.64746547098943 0.25000000000000 0.15478241681279 10.811 17 B 0.17315928548712 0.51683064970801 0.02982575886661 10.811 18 B 0.21320478769972 0.59120111808599 0.83304859376582 10.811 19 B 0.14746547098943 0.25000000000000 0.34521758318721 10.811 20 B 0.34669827615696 0.25000000000000 0.64817735274116 10.811 21 B 0.35253452901057 0.75000000000000 0.84521758318721 10.811 22 B 0.21320478769972 0.90879888191401 0.83304859376582 10.811 23 B 0.59740574225195 0.25000000000000 0.94330030774328 10.811 24 B 0.29160289767241 0.90779251363762 0.16630133553214 10.811 25 B 0.40259425774805 0.75000000000000 0.05669969225672 10.811 26 B 0.33061374219424 0.51456327382154 0.96671430099704 10.811 27 B 0.70839710232759 0.09220748636238 0.83369866446786 10.811 28 B 0.71320478769972 0.59120111808599 0.66695140623418 10.811 29 B 0.67315928548712 0.98316935029199 0.47017424113339 10.811 30 B 0.71320478769972 0.90879888191401 0.66695140623418 10.811 31 B 0.28679521230028 0.09120111808600 0.33304859376582 10.811 32 B 0.67315928548712 0.51683064970801 0.47017424113339 10.811 33 B 0.82684071451288 0.01683064970801 0.97017424113339 10.811 34 B 0.20839710232759 0.40779251363762 0.66630133553214 10.811 35 B 0.83061374219424 0.98543672617846 0.53328569900296 10.811 36 B 0.39895631541040 0.25000000000000 0.44508761138863 10.811 37 B 0.66938625780576 0.01456327382155 0.03328569900296 10.811 38 B 0.10104368458960 0.75000000000000 0.94508761138863 10.811 39 B 0.84669827615696 0.25000000000000 0.85182264725884 10.811 40 B 0.78679521230028 0.09120111808600 0.16695140623418 10.811 41 B 0.66938625780576 0.48543672617846 0.03328569900296 10.811 42 B 0.65330172384304 0.75000000000000 0.35182264725884 10.811 43 B 0.82684071451288 0.48316935029199 0.97017424113339 10.811 44 B 0.28679521230028 0.40879888191400 0.33304859376582 10.811 45 B 0.89895631541040 0.25000000000000 0.05491238861137 10.811 46 B 0.32684071451288 0.48316935029199 0.52982575886661 10.811 47 B 0.79160289767241 0.59220748636238 0.33369866446786 10.811 48 B 0.16938625780576 0.01456327382155 0.46671430099704 10.811 49 B 0.79160289767241 0.90779251363762 0.33369866446786 10.811 50 B 0.17315928548712 0.98316935029199 0.02982575886661 10.811 51 B 0.33061374219424 0.98543672617846 0.96671430099704 10.811 52 B 0.78679521230028 0.40879888191400 0.16695140623418 10.811 53 B 0.60104368458960 0.75000000000000 0.55491238861137 10.811 54 B 0.15330172384304 0.75000000000000 0.14817735274116 10.811 55 B 0.32684071451288 0.01683064970801 0.52982575886661 10.811 56 B 0.20839710232759 0.09220748636238 0.66630133553214 10.811 57 B 0.70839710232759 0.40779251363762 0.83369866446786 10.811 58 B 0.09740574225196 0.25000000000000 0.55669969225672 10.811 59 B 0.85253452901057 0.75000000000000 0.65478241681279 10.811 60 B 0.90259425774805 0.75000000000000 0.44330030774328 10.811 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.990292609999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.182960159999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.367921619999999 Atomic positions (fractional): 1 Mg 0.42958116897256 0.12500000000000 0.15844538622169 24.305 > 1 2 Mg 0.42958116897256 0.62500000000000 0.15844538622169 24.305 > 1 3 Mg 0.07041883102743 0.37500000000000 0.65844538622169 24.305 > 3 4 Mg 0.07041883102743 0.87500000000000 0.65844538622169 24.305 > 3 5 Mg 0.92958116897257 0.12500000000000 0.34155461377831 24.305 > 5 6 Mg 0.92958116897257 0.62500000000000 0.34155461377831 24.305 > 5 7 Mg 0.57041883102743 0.37500000000000 0.84155461377831 24.305 > 7 8 Mg 0.57041883102743 0.87500000000000 0.84155461377831 24.305 > 7 9 Si 0.91905841342414 0.12500000000000 0.63316796037203 28.085 > 9 10 Si 0.91905841342414 0.62500000000000 0.63316796037203 28.085 > 9 11 Si 0.08418814610359 0.12500000000000 0.10143001743501 28.085 > 11 12 Si 0.08418814610359 0.62500000000000 0.10143001743501 28.085 > 11 13 Si 0.58418814610360 0.12500000000000 0.39856998256499 28.085 > 13 14 Si 0.58418814610360 0.62500000000000 0.39856998256499 28.085 > 13 15 Si 0.91581185389640 0.37500000000000 0.89856998256499 28.085 > 15 16 Si 0.91581185389640 0.87500000000000 0.89856998256499 28.085 > 15 17 Si 0.08094158657586 0.37500000000000 0.36683203962797 28.085 > 17 18 Si 0.08094158657586 0.87500000000000 0.36683203962797 28.085 > 17 19 Si 0.41905841342414 0.12500000000000 0.86683203962797 28.085 > 19 20 Si 0.41905841342414 0.62500000000000 0.86683203962797 28.085 > 19 21 Si 0.58094158657586 0.37500000000000 0.13316796037203 28.085 > 21 22 Si 0.58094158657586 0.87500000000000 0.13316796037203 28.085 > 21 23 Si 0.41581185389641 0.37500000000000 0.60143001743501 28.085 > 23 24 Si 0.41581185389641 0.87500000000000 0.60143001743501 28.085 > 23 25 B 0.83061374219424 0.25728163691077 0.53328569900296 10.811 > 25 26 B 0.83061374219424 0.75728163691077 0.53328569900296 10.811 > 25 27 B 0.29160289767241 0.29610374318119 0.16630133553214 10.811 > 27 28 B 0.29160289767241 0.79610374318119 0.16630133553214 10.811 > 27 29 B 0.16938625780576 0.24271836308923 0.46671430099704 10.811 > 29 30 B 0.16938625780576 0.74271836308923 0.46671430099704 10.811 > 29 31 B 0.64746547098943 0.12500000000000 0.15478241681279 10.811 > 31 32 B 0.64746547098943 0.62500000000000 0.15478241681279 10.811 > 31 33 B 0.17315928548712 0.25841532485401 0.02982575886661 10.811 > 33 34 B 0.17315928548712 0.75841532485401 0.02982575886661 10.811 > 33 35 B 0.21320478769972 0.29560055904300 0.83304859376582 10.811 > 35 36 B 0.21320478769972 0.79560055904300 0.83304859376582 10.811 > 35 37 B 0.14746547098943 0.12500000000000 0.34521758318721 10.811 > 37 38 B 0.14746547098943 0.62500000000000 0.34521758318721 10.811 > 37 39 B 0.34669827615696 0.12500000000000 0.64817735274116 10.811 > 39 40 B 0.34669827615696 0.62500000000000 0.64817735274116 10.811 > 39 41 B 0.35253452901057 0.37500000000000 0.84521758318721 10.811 > 41 42 B 0.35253452901057 0.87500000000000 0.84521758318721 10.811 > 41 43 B 0.21320478769972 0.45439944095700 0.83304859376582 10.811 > 43 44 B 0.21320478769972 0.95439944095700 0.83304859376582 10.811 > 43 45 B 0.59740574225195 0.12500000000000 0.94330030774328 10.811 > 45 46 B 0.59740574225195 0.62500000000000 0.94330030774328 10.811 > 45 47 B 0.29160289767241 0.45389625681881 0.16630133553214 10.811 > 47 48 B 0.29160289767241 0.95389625681881 0.16630133553214 10.811 > 47 49 B 0.40259425774805 0.37500000000000 0.05669969225672 10.811 > 49 50 B 0.40259425774805 0.87500000000000 0.05669969225672 10.811 > 49 51 B 0.33061374219424 0.25728163691077 0.96671430099704 10.811 > 51 52 B 0.33061374219424 0.75728163691077 0.96671430099704 10.811 > 51 53 B 0.70839710232759 0.04610374318119 0.83369866446786 10.811 > 53 54 B 0.70839710232759 0.54610374318119 0.83369866446786 10.811 > 53 55 B 0.71320478769972 0.29560055904300 0.66695140623418 10.811 > 55 56 B 0.71320478769972 0.79560055904300 0.66695140623418 10.811 > 55 57 B 0.67315928548712 0.49158467514599 0.47017424113339 10.811 > 57 58 B 0.67315928548712 0.99158467514599 0.47017424113339 10.811 > 57 59 B 0.71320478769972 0.45439944095700 0.66695140623418 10.811 > 59 60 B 0.71320478769972 0.95439944095700 0.66695140623418 10.811 > 59 61 B 0.28679521230028 0.04560055904300 0.33304859376582 10.811 > 61 62 B 0.28679521230028 0.54560055904300 0.33304859376582 10.811 > 61 63 B 0.67315928548712 0.25841532485401 0.47017424113339 10.811 > 63 64 B 0.67315928548712 0.75841532485401 0.47017424113339 10.811 > 63 65 B 0.82684071451288 0.00841532485401 0.97017424113339 10.811 > 65 66 B 0.82684071451288 0.50841532485401 0.97017424113339 10.811 > 65 67 B 0.20839710232759 0.20389625681881 0.66630133553214 10.811 > 67 68 B 0.20839710232759 0.70389625681881 0.66630133553214 10.811 > 67 69 B 0.83061374219424 0.49271836308923 0.53328569900296 10.811 > 69 70 B 0.83061374219424 0.99271836308923 0.53328569900296 10.811 > 69 71 B 0.39895631541040 0.12500000000000 0.44508761138863 10.811 > 71 72 B 0.39895631541040 0.62500000000000 0.44508761138863 10.811 > 71 73 B 0.66938625780576 0.00728163691077 0.03328569900296 10.811 > 73 74 B 0.66938625780576 0.50728163691077 0.03328569900296 10.811 > 73 75 B 0.10104368458960 0.37500000000000 0.94508761138863 10.811 > 75 76 B 0.10104368458960 0.87500000000000 0.94508761138863 10.811 > 75 77 B 0.84669827615696 0.12500000000000 0.85182264725884 10.811 > 77 78 B 0.84669827615696 0.62500000000000 0.85182264725884 10.811 > 77 79 B 0.78679521230028 0.04560055904300 0.16695140623418 10.811 > 79 80 B 0.78679521230028 0.54560055904300 0.16695140623418 10.811 > 79 81 B 0.66938625780576 0.24271836308923 0.03328569900296 10.811 > 81 82 B 0.66938625780576 0.74271836308923 0.03328569900296 10.811 > 81 83 B 0.65330172384304 0.37500000000000 0.35182264725884 10.811 > 83 84 B 0.65330172384304 0.87500000000000 0.35182264725884 10.811 > 83 85 B 0.82684071451288 0.24158467514599 0.97017424113339 10.811 > 85 86 B 0.82684071451288 0.74158467514599 0.97017424113339 10.811 > 85 87 B 0.28679521230028 0.20439944095700 0.33304859376582 10.811 > 87 88 B 0.28679521230028 0.70439944095700 0.33304859376582 10.811 > 87 89 B 0.89895631541040 0.12500000000000 0.05491238861137 10.811 > 89 90 B 0.89895631541040 0.62500000000000 0.05491238861137 10.811 > 89 91 B 0.32684071451288 0.24158467514599 0.52982575886661 10.811 > 91 92 B 0.32684071451288 0.74158467514599 0.52982575886661 10.811 > 91 93 B 0.79160289767241 0.29610374318119 0.33369866446786 10.811 > 93 94 B 0.79160289767241 0.79610374318119 0.33369866446786 10.811 > 93 95 B 0.16938625780576 0.00728163691077 0.46671430099704 10.811 > 95 96 B 0.16938625780576 0.50728163691077 0.46671430099704 10.811 > 95 97 B 0.79160289767241 0.45389625681881 0.33369866446786 10.811 > 97 98 B 0.79160289767241 0.95389625681881 0.33369866446786 10.811 > 97 99 B 0.17315928548712 0.49158467514599 0.02982575886661 10.811 > 99 100 B 0.17315928548712 0.99158467514599 0.02982575886661 10.811 > 99 101 B 0.33061374219424 0.49271836308923 0.96671430099704 10.811 > 101 102 B 0.33061374219424 0.99271836308923 0.96671430099704 10.811 > 101 103 B 0.78679521230028 0.20439944095700 0.16695140623418 10.811 > 103 104 B 0.78679521230028 0.70439944095700 0.16695140623418 10.811 > 103 105 B 0.60104368458960 0.37500000000000 0.55491238861137 10.811 > 105 106 B 0.60104368458960 0.87500000000000 0.55491238861137 10.811 > 105 107 B 0.15330172384304 0.37500000000000 0.14817735274116 10.811 > 107 108 B 0.15330172384304 0.87500000000000 0.14817735274116 10.811 > 107 109 B 0.32684071451288 0.00841532485401 0.52982575886661 10.811 > 109 110 B 0.32684071451288 0.50841532485401 0.52982575886661 10.811 > 109 111 B 0.20839710232759 0.04610374318119 0.66630133553214 10.811 > 111 112 B 0.20839710232759 0.54610374318119 0.66630133553214 10.811 > 111 113 B 0.70839710232759 0.20389625681881 0.83369866446786 10.811 > 113 114 B 0.70839710232759 0.70389625681881 0.83369866446786 10.811 > 113 115 B 0.09740574225196 0.12500000000000 0.55669969225672 10.811 > 115 116 B 0.09740574225196 0.62500000000000 0.55669969225672 10.811 > 115 117 B 0.85253452901057 0.37500000000000 0.65478241681279 10.811 > 117 118 B 0.85253452901057 0.87500000000000 0.65478241681279 10.811 > 117 119 B 0.90259425774805 0.37500000000000 0.44330030774328 10.811 > 119 120 B 0.90259425774805 0.87500000000000 0.44330030774328 10.811 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.3111756 0.0000000 0.0000000 0.0000000 8.3909292 0.0000000 0.0000000 0.0000000 8.3637100 -------------------------- Born effective charges -------------------------- 1 Mg 2.6324401 0.0000000 -0.1230337 0.0000000 2.2096744 -0.0000000 -0.1744020 -0.0000000 2.6321505 2 Mg 2.6324401 0.0000000 0.1230337 0.0000000 2.2096744 -0.0000000 0.1744020 -0.0000000 2.6321505 3 Mg 2.6324401 0.0000000 0.1230337 0.0000000 2.2096744 -0.0000000 0.1744020 -0.0000000 2.6321505 4 Mg 2.6324401 0.0000000 -0.1230337 0.0000000 2.2096744 -0.0000000 -0.1744020 -0.0000000 2.6321505 5 Si 1.0263620 0.0000000 -0.1947112 0.0000000 0.8682558 -0.0000000 -0.1690707 -0.0000000 0.4551512 6 Si 1.1260693 0.0000000 0.2888731 0.0000000 0.9481610 -0.0000000 0.2433433 -0.0000000 0.9183260 7 Si 1.1260693 0.0000000 -0.2888731 0.0000000 0.9481610 -0.0000000 -0.2433433 -0.0000000 0.9183260 8 Si 1.1260693 0.0000000 0.2888731 0.0000000 0.9481610 -0.0000000 0.2433433 -0.0000000 0.9183260 9 Si 1.0263620 0.0000000 -0.1947112 0.0000000 0.8682558 -0.0000000 -0.1690707 -0.0000000 0.4551512 10 Si 1.0263620 0.0000000 0.1947112 0.0000000 0.8682558 -0.0000000 0.1690707 -0.0000000 0.4551512 11 Si 1.0263620 0.0000000 0.1947112 0.0000000 0.8682558 -0.0000000 0.1690707 -0.0000000 0.4551512 12 Si 1.1260693 0.0000000 -0.2888731 0.0000000 0.9481610 -0.0000000 -0.2433433 -0.0000000 0.9183260 13 B -0.5350743 -0.1983767 0.1379036 -0.3570558 -0.2333766 -0.2517294 0.0780799 -0.2308475 -0.7604039 14 B -0.4829191 0.0972262 -0.0366178 0.0793396 -0.2132347 -0.3401515 0.0451387 -0.2118279 0.0445269 15 B -0.5350743 -0.1983767 0.1379036 -0.3570558 -0.2333766 -0.2517294 0.0780799 -0.2308475 -0.7604039 16 B -0.8441859 0.0000000 -0.2246009 0.0000000 -0.6599731 -0.0000000 -0.5423439 -0.0000000 -0.2277031 17 B -0.5381916 0.3776791 -0.1393337 0.2886473 -0.1884190 -0.2217797 -0.1619477 -0.2906664 -0.6262566 18 B -0.4147998 0.0440398 -0.0859738 0.0865370 -0.1887046 0.2840500 -0.0613934 0.2365650 0.0125253 19 B -0.8441859 0.0000000 0.2246009 0.0000000 -0.6599731 -0.0000000 0.5423439 -0.0000000 -0.2277031 20 B -0.3621768 0.0000000 0.3864383 0.0000000 -0.5296273 -0.0000000 0.4741228 -0.0000000 0.4044449 21 B -0.8441859 0.0000000 -0.2246009 0.0000000 -0.6599731 -0.0000000 -0.5423439 -0.0000000 -0.2277031 22 B -0.4147998 -0.0440398 -0.0859738 -0.0865370 -0.1887046 -0.2840500 -0.0613934 -0.2365650 0.0125253 23 B 0.1617643 0.0000000 0.1332941 0.0000000 -0.6634246 -0.0000000 0.3542791 -0.0000000 -0.7141554 24 B -0.4829191 -0.0972262 -0.0366178 -0.0793396 -0.2132347 0.3401515 0.0451387 0.2118279 0.0445269 25 B 0.1617643 0.0000000 0.1332941 0.0000000 -0.6634246 -0.0000000 0.3542791 -0.0000000 -0.7141554 26 B -0.5350743 -0.1983767 -0.1379036 -0.3570558 -0.2333766 0.2517294 -0.0780799 0.2308475 -0.7604039 27 B -0.4829191 -0.0972262 -0.0366178 -0.0793396 -0.2132347 0.3401515 0.0451387 0.2118279 0.0445269 28 B -0.4147998 0.0440398 0.0859738 0.0865370 -0.1887046 -0.2840500 0.0613934 -0.2365650 0.0125253 29 B -0.5381916 -0.3776791 0.1393337 -0.2886473 -0.1884190 -0.2217797 0.1619477 -0.2906664 -0.6262566 30 B -0.4147998 -0.0440398 0.0859738 -0.0865370 -0.1887046 0.2840500 0.0613934 0.2365650 0.0125253 31 B -0.4147998 -0.0440398 0.0859738 -0.0865370 -0.1887046 0.2840500 0.0613934 0.2365650 0.0125253 32 B -0.5381916 0.3776791 0.1393337 0.2886473 -0.1884190 0.2217797 0.1619477 0.2906664 -0.6262566 33 B -0.5381916 -0.3776791 -0.1393337 -0.2886473 -0.1884190 0.2217797 -0.1619477 0.2906664 -0.6262566 34 B -0.4829191 0.0972262 0.0366178 0.0793396 -0.2132347 0.3401515 -0.0451387 0.2118279 0.0445269 35 B -0.5350743 0.1983767 0.1379036 0.3570558 -0.2333766 0.2517294 0.0780799 0.2308475 -0.7604039 36 B 0.2016964 0.0000000 -0.1953888 0.0000000 -0.5255966 -0.0000000 -0.2726637 -0.0000000 -0.8089977 37 B -0.5350743 0.1983767 -0.1379036 0.3570558 -0.2333766 -0.2517294 -0.0780799 -0.2308475 -0.7604039 38 B 0.2016964 0.0000000 0.1953888 0.0000000 -0.5255966 -0.0000000 0.2726637 -0.0000000 -0.8089977 39 B -0.3621768 0.0000000 -0.3864383 0.0000000 -0.5296273 -0.0000000 -0.4741228 -0.0000000 0.4044449 40 B -0.4147998 -0.0440398 -0.0859738 -0.0865370 -0.1887046 -0.2840500 -0.0613934 -0.2365650 0.0125253 41 B -0.5350743 -0.1983767 -0.1379036 -0.3570558 -0.2333766 0.2517294 -0.0780799 0.2308475 -0.7604039 42 B -0.3621768 0.0000000 0.3864383 0.0000000 -0.5296273 -0.0000000 0.4741228 -0.0000000 0.4044449 43 B -0.5381916 0.3776791 -0.1393337 0.2886473 -0.1884190 -0.2217797 -0.1619477 -0.2906664 -0.6262566 44 B -0.4147998 0.0440398 0.0859738 0.0865370 -0.1887046 -0.2840500 0.0613934 -0.2365650 0.0125253 45 B 0.2016964 0.0000000 0.1953888 0.0000000 -0.5255966 -0.0000000 0.2726637 -0.0000000 -0.8089977 46 B -0.5381916 0.3776791 0.1393337 0.2886473 -0.1884190 0.2217797 0.1619477 0.2906664 -0.6262566 47 B -0.4829191 0.0972262 0.0366178 0.0793396 -0.2132347 0.3401515 -0.0451387 0.2118279 0.0445269 48 B -0.5350743 0.1983767 0.1379036 0.3570558 -0.2333766 0.2517294 0.0780799 0.2308475 -0.7604039 49 B -0.4829191 -0.0972262 0.0366178 -0.0793396 -0.2132347 -0.3401515 -0.0451387 -0.2118279 0.0445269 50 B -0.5381916 -0.3776791 -0.1393337 -0.2886473 -0.1884190 0.2217797 -0.1619477 0.2906664 -0.6262566 51 B -0.5350743 0.1983767 -0.1379036 0.3570558 -0.2333766 -0.2517294 -0.0780799 -0.2308475 -0.7604039 52 B -0.4147998 0.0440398 -0.0859738 0.0865370 -0.1887046 0.2840500 -0.0613934 0.2365650 0.0125253 53 B 0.2016964 0.0000000 -0.1953888 0.0000000 -0.5255966 -0.0000000 -0.2726637 -0.0000000 -0.8089977 54 B -0.3621768 0.0000000 -0.3864383 0.0000000 -0.5296273 -0.0000000 -0.4741228 -0.0000000 0.4044449 55 B -0.5381916 -0.3776791 0.1393337 -0.2886473 -0.1884190 -0.2217797 0.1619477 -0.2906664 -0.6262566 56 B -0.4829191 -0.0972262 0.0366178 -0.0793396 -0.2132347 -0.3401515 -0.0451387 -0.2118279 0.0445269 57 B -0.4829191 0.0972262 -0.0366178 0.0793396 -0.2132347 -0.3401515 0.0451387 -0.2118279 0.0445269 58 B 0.1617643 0.0000000 -0.1332941 0.0000000 -0.6634246 -0.0000000 -0.3542791 -0.0000000 -0.7141554 59 B -0.8441859 0.0000000 0.2246009 0.0000000 -0.6599731 -0.0000000 0.5423439 -0.0000000 -0.2277031 60 B 0.1617643 0.0000000 -0.1332941 0.0000000 -0.6634246 -0.0000000 -0.3542791 -0.0000000 -0.7141554 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, 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[ 11, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 27, 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[ 31, 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 35, 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[ 39, 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[ 45, 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[ 71, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:38:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:38:19]------------------------- 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): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.990292609999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.091480079999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.367921619999999 Atomic positions (fractional): 1 Mg 0.42958116897256 0.25000000000000 0.15844538622169 24.305 2 Mg 0.07041883102743 0.75000000000000 0.65844538622169 24.305 3 Mg 0.92958116897257 0.25000000000000 0.34155461377831 24.305 4 Mg 0.57041883102743 0.75000000000000 0.84155461377831 24.305 5 Si 0.91905841342414 0.25000000000000 0.63316796037203 28.085 6 Si 0.08418814610359 0.25000000000000 0.10143001743501 28.085 7 Si 0.58418814610360 0.25000000000000 0.39856998256499 28.085 8 Si 0.91581185389640 0.75000000000000 0.89856998256499 28.085 9 Si 0.08094158657586 0.75000000000000 0.36683203962797 28.085 10 Si 0.41905841342414 0.25000000000000 0.86683203962797 28.085 11 Si 0.58094158657586 0.75000000000000 0.13316796037203 28.085 12 Si 0.41581185389641 0.75000000000000 0.60143001743501 28.085 13 B 0.83061374219424 0.51456327382154 0.53328569900296 10.811 14 B 0.29160289767241 0.59220748636238 0.16630133553214 10.811 15 B 0.16938625780576 0.48543672617846 0.46671430099704 10.811 16 B 0.64746547098943 0.25000000000000 0.15478241681279 10.811 17 B 0.17315928548712 0.51683064970801 0.02982575886661 10.811 18 B 0.21320478769972 0.59120111808599 0.83304859376582 10.811 19 B 0.14746547098943 0.25000000000000 0.34521758318721 10.811 20 B 0.34669827615696 0.25000000000000 0.64817735274116 10.811 21 B 0.35253452901057 0.75000000000000 0.84521758318721 10.811 22 B 0.21320478769972 0.90879888191401 0.83304859376582 10.811 23 B 0.59740574225195 0.25000000000000 0.94330030774328 10.811 24 B 0.29160289767241 0.90779251363762 0.16630133553214 10.811 25 B 0.40259425774805 0.75000000000000 0.05669969225672 10.811 26 B 0.33061374219424 0.51456327382154 0.96671430099704 10.811 27 B 0.70839710232759 0.09220748636238 0.83369866446786 10.811 28 B 0.71320478769972 0.59120111808599 0.66695140623418 10.811 29 B 0.67315928548712 0.98316935029199 0.47017424113339 10.811 30 B 0.71320478769972 0.90879888191401 0.66695140623418 10.811 31 B 0.28679521230028 0.09120111808600 0.33304859376582 10.811 32 B 0.67315928548712 0.51683064970801 0.47017424113339 10.811 33 B 0.82684071451288 0.01683064970801 0.97017424113339 10.811 34 B 0.20839710232759 0.40779251363762 0.66630133553214 10.811 35 B 0.83061374219424 0.98543672617846 0.53328569900296 10.811 36 B 0.39895631541040 0.25000000000000 0.44508761138863 10.811 37 B 0.66938625780576 0.01456327382155 0.03328569900296 10.811 38 B 0.10104368458960 0.75000000000000 0.94508761138863 10.811 39 B 0.84669827615696 0.25000000000000 0.85182264725884 10.811 40 B 0.78679521230028 0.09120111808600 0.16695140623418 10.811 41 B 0.66938625780576 0.48543672617846 0.03328569900296 10.811 42 B 0.65330172384304 0.75000000000000 0.35182264725884 10.811 43 B 0.82684071451288 0.48316935029199 0.97017424113339 10.811 44 B 0.28679521230028 0.40879888191400 0.33304859376582 10.811 45 B 0.89895631541040 0.25000000000000 0.05491238861137 10.811 46 B 0.32684071451288 0.48316935029199 0.52982575886661 10.811 47 B 0.79160289767241 0.59220748636238 0.33369866446786 10.811 48 B 0.16938625780576 0.01456327382155 0.46671430099704 10.811 49 B 0.79160289767241 0.90779251363762 0.33369866446786 10.811 50 B 0.17315928548712 0.98316935029199 0.02982575886661 10.811 51 B 0.33061374219424 0.98543672617846 0.96671430099704 10.811 52 B 0.78679521230028 0.40879888191400 0.16695140623418 10.811 53 B 0.60104368458960 0.75000000000000 0.55491238861137 10.811 54 B 0.15330172384304 0.75000000000000 0.14817735274116 10.811 55 B 0.32684071451288 0.01683064970801 0.52982575886661 10.811 56 B 0.20839710232759 0.09220748636238 0.66630133553214 10.811 57 B 0.70839710232759 0.40779251363762 0.83369866446786 10.811 58 B 0.09740574225196 0.25000000000000 0.55669969225672 10.811 59 B 0.85253452901057 0.75000000000000 0.65478241681279 10.811 60 B 0.90259425774805 0.75000000000000 0.44330030774328 10.811 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.990292609999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.182960159999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.367921619999999 Atomic positions (fractional): 1 Mg 0.42958116897256 0.12500000000000 0.15844538622169 24.305 > 1 2 Mg 0.42958116897256 0.62500000000000 0.15844538622169 24.305 > 1 3 Mg 0.07041883102743 0.37500000000000 0.65844538622169 24.305 > 3 4 Mg 0.07041883102743 0.87500000000000 0.65844538622169 24.305 > 3 5 Mg 0.92958116897257 0.12500000000000 0.34155461377831 24.305 > 5 6 Mg 0.92958116897257 0.62500000000000 0.34155461377831 24.305 > 5 7 Mg 0.57041883102743 0.37500000000000 0.84155461377831 24.305 > 7 8 Mg 0.57041883102743 0.87500000000000 0.84155461377831 24.305 > 7 9 Si 0.91905841342414 0.12500000000000 0.63316796037203 28.085 > 9 10 Si 0.91905841342414 0.62500000000000 0.63316796037203 28.085 > 9 11 Si 0.08418814610359 0.12500000000000 0.10143001743501 28.085 > 11 12 Si 0.08418814610359 0.62500000000000 0.10143001743501 28.085 > 11 13 Si 0.58418814610360 0.12500000000000 0.39856998256499 28.085 > 13 14 Si 0.58418814610360 0.62500000000000 0.39856998256499 28.085 > 13 15 Si 0.91581185389640 0.37500000000000 0.89856998256499 28.085 > 15 16 Si 0.91581185389640 0.87500000000000 0.89856998256499 28.085 > 15 17 Si 0.08094158657586 0.37500000000000 0.36683203962797 28.085 > 17 18 Si 0.08094158657586 0.87500000000000 0.36683203962797 28.085 > 17 19 Si 0.41905841342414 0.12500000000000 0.86683203962797 28.085 > 19 20 Si 0.41905841342414 0.62500000000000 0.86683203962797 28.085 > 19 21 Si 0.58094158657586 0.37500000000000 0.13316796037203 28.085 > 21 22 Si 0.58094158657586 0.87500000000000 0.13316796037203 28.085 > 21 23 Si 0.41581185389641 0.37500000000000 0.60143001743501 28.085 > 23 24 Si 0.41581185389641 0.87500000000000 0.60143001743501 28.085 > 23 25 B 0.83061374219424 0.25728163691077 0.53328569900296 10.811 > 25 26 B 0.83061374219424 0.75728163691077 0.53328569900296 10.811 > 25 27 B 0.29160289767241 0.29610374318119 0.16630133553214 10.811 > 27 28 B 0.29160289767241 0.79610374318119 0.16630133553214 10.811 > 27 29 B 0.16938625780576 0.24271836308923 0.46671430099704 10.811 > 29 30 B 0.16938625780576 0.74271836308923 0.46671430099704 10.811 > 29 31 B 0.64746547098943 0.12500000000000 0.15478241681279 10.811 > 31 32 B 0.64746547098943 0.62500000000000 0.15478241681279 10.811 > 31 33 B 0.17315928548712 0.25841532485401 0.02982575886661 10.811 > 33 34 B 0.17315928548712 0.75841532485401 0.02982575886661 10.811 > 33 35 B 0.21320478769972 0.29560055904300 0.83304859376582 10.811 > 35 36 B 0.21320478769972 0.79560055904300 0.83304859376582 10.811 > 35 37 B 0.14746547098943 0.12500000000000 0.34521758318721 10.811 > 37 38 B 0.14746547098943 0.62500000000000 0.34521758318721 10.811 > 37 39 B 0.34669827615696 0.12500000000000 0.64817735274116 10.811 > 39 40 B 0.34669827615696 0.62500000000000 0.64817735274116 10.811 > 39 41 B 0.35253452901057 0.37500000000000 0.84521758318721 10.811 > 41 42 B 0.35253452901057 0.87500000000000 0.84521758318721 10.811 > 41 43 B 0.21320478769972 0.45439944095700 0.83304859376582 10.811 > 43 44 B 0.21320478769972 0.95439944095700 0.83304859376582 10.811 > 43 45 B 0.59740574225195 0.12500000000000 0.94330030774328 10.811 > 45 46 B 0.59740574225195 0.62500000000000 0.94330030774328 10.811 > 45 47 B 0.29160289767241 0.45389625681881 0.16630133553214 10.811 > 47 48 B 0.29160289767241 0.95389625681881 0.16630133553214 10.811 > 47 49 B 0.40259425774805 0.37500000000000 0.05669969225672 10.811 > 49 50 B 0.40259425774805 0.87500000000000 0.05669969225672 10.811 > 49 51 B 0.33061374219424 0.25728163691077 0.96671430099704 10.811 > 51 52 B 0.33061374219424 0.75728163691077 0.96671430099704 10.811 > 51 53 B 0.70839710232759 0.04610374318119 0.83369866446786 10.811 > 53 54 B 0.70839710232759 0.54610374318119 0.83369866446786 10.811 > 53 55 B 0.71320478769972 0.29560055904300 0.66695140623418 10.811 > 55 56 B 0.71320478769972 0.79560055904300 0.66695140623418 10.811 > 55 57 B 0.67315928548712 0.49158467514599 0.47017424113339 10.811 > 57 58 B 0.67315928548712 0.99158467514599 0.47017424113339 10.811 > 57 59 B 0.71320478769972 0.45439944095700 0.66695140623418 10.811 > 59 60 B 0.71320478769972 0.95439944095700 0.66695140623418 10.811 > 59 61 B 0.28679521230028 0.04560055904300 0.33304859376582 10.811 > 61 62 B 0.28679521230028 0.54560055904300 0.33304859376582 10.811 > 61 63 B 0.67315928548712 0.25841532485401 0.47017424113339 10.811 > 63 64 B 0.67315928548712 0.75841532485401 0.47017424113339 10.811 > 63 65 B 0.82684071451288 0.00841532485401 0.97017424113339 10.811 > 65 66 B 0.82684071451288 0.50841532485401 0.97017424113339 10.811 > 65 67 B 0.20839710232759 0.20389625681881 0.66630133553214 10.811 > 67 68 B 0.20839710232759 0.70389625681881 0.66630133553214 10.811 > 67 69 B 0.83061374219424 0.49271836308923 0.53328569900296 10.811 > 69 70 B 0.83061374219424 0.99271836308923 0.53328569900296 10.811 > 69 71 B 0.39895631541040 0.12500000000000 0.44508761138863 10.811 > 71 72 B 0.39895631541040 0.62500000000000 0.44508761138863 10.811 > 71 73 B 0.66938625780576 0.00728163691077 0.03328569900296 10.811 > 73 74 B 0.66938625780576 0.50728163691077 0.03328569900296 10.811 > 73 75 B 0.10104368458960 0.37500000000000 0.94508761138863 10.811 > 75 76 B 0.10104368458960 0.87500000000000 0.94508761138863 10.811 > 75 77 B 0.84669827615696 0.12500000000000 0.85182264725884 10.811 > 77 78 B 0.84669827615696 0.62500000000000 0.85182264725884 10.811 > 77 79 B 0.78679521230028 0.04560055904300 0.16695140623418 10.811 > 79 80 B 0.78679521230028 0.54560055904300 0.16695140623418 10.811 > 79 81 B 0.66938625780576 0.24271836308923 0.03328569900296 10.811 > 81 82 B 0.66938625780576 0.74271836308923 0.03328569900296 10.811 > 81 83 B 0.65330172384304 0.37500000000000 0.35182264725884 10.811 > 83 84 B 0.65330172384304 0.87500000000000 0.35182264725884 10.811 > 83 85 B 0.82684071451288 0.24158467514599 0.97017424113339 10.811 > 85 86 B 0.82684071451288 0.74158467514599 0.97017424113339 10.811 > 85 87 B 0.28679521230028 0.20439944095700 0.33304859376582 10.811 > 87 88 B 0.28679521230028 0.70439944095700 0.33304859376582 10.811 > 87 89 B 0.89895631541040 0.12500000000000 0.05491238861137 10.811 > 89 90 B 0.89895631541040 0.62500000000000 0.05491238861137 10.811 > 89 91 B 0.32684071451288 0.24158467514599 0.52982575886661 10.811 > 91 92 B 0.32684071451288 0.74158467514599 0.52982575886661 10.811 > 91 93 B 0.79160289767241 0.29610374318119 0.33369866446786 10.811 > 93 94 B 0.79160289767241 0.79610374318119 0.33369866446786 10.811 > 93 95 B 0.16938625780576 0.00728163691077 0.46671430099704 10.811 > 95 96 B 0.16938625780576 0.50728163691077 0.46671430099704 10.811 > 95 97 B 0.79160289767241 0.45389625681881 0.33369866446786 10.811 > 97 98 B 0.79160289767241 0.95389625681881 0.33369866446786 10.811 > 97 99 B 0.17315928548712 0.49158467514599 0.02982575886661 10.811 > 99 100 B 0.17315928548712 0.99158467514599 0.02982575886661 10.811 > 99 101 B 0.33061374219424 0.49271836308923 0.96671430099704 10.811 > 101 102 B 0.33061374219424 0.99271836308923 0.96671430099704 10.811 > 101 103 B 0.78679521230028 0.20439944095700 0.16695140623418 10.811 > 103 104 B 0.78679521230028 0.70439944095700 0.16695140623418 10.811 > 103 105 B 0.60104368458960 0.37500000000000 0.55491238861137 10.811 > 105 106 B 0.60104368458960 0.87500000000000 0.55491238861137 10.811 > 105 107 B 0.15330172384304 0.37500000000000 0.14817735274116 10.811 > 107 108 B 0.15330172384304 0.87500000000000 0.14817735274116 10.811 > 107 109 B 0.32684071451288 0.00841532485401 0.52982575886661 10.811 > 109 110 B 0.32684071451288 0.50841532485401 0.52982575886661 10.811 > 109 111 B 0.20839710232759 0.04610374318119 0.66630133553214 10.811 > 111 112 B 0.20839710232759 0.54610374318119 0.66630133553214 10.811 > 111 113 B 0.70839710232759 0.20389625681881 0.83369866446786 10.811 > 113 114 B 0.70839710232759 0.70389625681881 0.83369866446786 10.811 > 113 115 B 0.09740574225196 0.12500000000000 0.55669969225672 10.811 > 115 116 B 0.09740574225196 0.62500000000000 0.55669969225672 10.811 > 115 117 B 0.85253452901057 0.37500000000000 0.65478241681279 10.811 > 117 118 B 0.85253452901057 0.87500000000000 0.65478241681279 10.811 > 117 119 B 0.90259425774805 0.37500000000000 0.44330030774328 10.811 > 119 120 B 0.90259425774805 0.87500000000000 0.44330030774328 10.811 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.3111756 0.0000000 0.0000000 0.0000000 8.3909292 0.0000000 0.0000000 0.0000000 8.3637100 -------------------------- Born effective charges -------------------------- 1 Mg 2.6324401 0.0000000 -0.1230337 0.0000000 2.2096744 -0.0000000 -0.1744020 -0.0000000 2.6321505 2 Mg 2.6324401 0.0000000 0.1230337 0.0000000 2.2096744 -0.0000000 0.1744020 -0.0000000 2.6321505 3 Mg 2.6324401 0.0000000 0.1230337 0.0000000 2.2096744 -0.0000000 0.1744020 -0.0000000 2.6321505 4 Mg 2.6324401 0.0000000 -0.1230337 0.0000000 2.2096744 -0.0000000 -0.1744020 -0.0000000 2.6321505 5 Si 1.0263620 0.0000000 -0.1947112 0.0000000 0.8682558 -0.0000000 -0.1690707 -0.0000000 0.4551512 6 Si 1.1260693 0.0000000 0.2888731 0.0000000 0.9481610 -0.0000000 0.2433433 -0.0000000 0.9183260 7 Si 1.1260693 0.0000000 -0.2888731 0.0000000 0.9481610 -0.0000000 -0.2433433 -0.0000000 0.9183260 8 Si 1.1260693 0.0000000 0.2888731 0.0000000 0.9481610 -0.0000000 0.2433433 -0.0000000 0.9183260 9 Si 1.0263620 0.0000000 -0.1947112 0.0000000 0.8682558 -0.0000000 -0.1690707 -0.0000000 0.4551512 10 Si 1.0263620 0.0000000 0.1947112 0.0000000 0.8682558 -0.0000000 0.1690707 -0.0000000 0.4551512 11 Si 1.0263620 0.0000000 0.1947112 0.0000000 0.8682558 -0.0000000 0.1690707 -0.0000000 0.4551512 12 Si 1.1260693 0.0000000 -0.2888731 0.0000000 0.9481610 -0.0000000 -0.2433433 -0.0000000 0.9183260 13 B -0.5350743 -0.1983767 0.1379036 -0.3570558 -0.2333766 -0.2517294 0.0780799 -0.2308475 -0.7604039 14 B -0.4829191 0.0972262 -0.0366178 0.0793396 -0.2132347 -0.3401515 0.0451387 -0.2118279 0.0445269 15 B -0.5350743 -0.1983767 0.1379036 -0.3570558 -0.2333766 -0.2517294 0.0780799 -0.2308475 -0.7604039 16 B -0.8441859 0.0000000 -0.2246009 0.0000000 -0.6599731 -0.0000000 -0.5423439 -0.0000000 -0.2277031 17 B -0.5381916 0.3776791 -0.1393337 0.2886473 -0.1884190 -0.2217797 -0.1619477 -0.2906664 -0.6262566 18 B -0.4147998 0.0440398 -0.0859738 0.0865370 -0.1887046 0.2840500 -0.0613934 0.2365650 0.0125253 19 B -0.8441859 0.0000000 0.2246009 0.0000000 -0.6599731 -0.0000000 0.5423439 -0.0000000 -0.2277031 20 B -0.3621768 0.0000000 0.3864383 0.0000000 -0.5296273 -0.0000000 0.4741228 -0.0000000 0.4044449 21 B -0.8441859 0.0000000 -0.2246009 0.0000000 -0.6599731 -0.0000000 -0.5423439 -0.0000000 -0.2277031 22 B -0.4147998 -0.0440398 -0.0859738 -0.0865370 -0.1887046 -0.2840500 -0.0613934 -0.2365650 0.0125253 23 B 0.1617643 0.0000000 0.1332941 0.0000000 -0.6634246 -0.0000000 0.3542791 -0.0000000 -0.7141554 24 B -0.4829191 -0.0972262 -0.0366178 -0.0793396 -0.2132347 0.3401515 0.0451387 0.2118279 0.0445269 25 B 0.1617643 0.0000000 0.1332941 0.0000000 -0.6634246 -0.0000000 0.3542791 -0.0000000 -0.7141554 26 B -0.5350743 -0.1983767 -0.1379036 -0.3570558 -0.2333766 0.2517294 -0.0780799 0.2308475 -0.7604039 27 B -0.4829191 -0.0972262 -0.0366178 -0.0793396 -0.2132347 0.3401515 0.0451387 0.2118279 0.0445269 28 B -0.4147998 0.0440398 0.0859738 0.0865370 -0.1887046 -0.2840500 0.0613934 -0.2365650 0.0125253 29 B -0.5381916 -0.3776791 0.1393337 -0.2886473 -0.1884190 -0.2217797 0.1619477 -0.2906664 -0.6262566 30 B -0.4147998 -0.0440398 0.0859738 -0.0865370 -0.1887046 0.2840500 0.0613934 0.2365650 0.0125253 31 B -0.4147998 -0.0440398 0.0859738 -0.0865370 -0.1887046 0.2840500 0.0613934 0.2365650 0.0125253 32 B -0.5381916 0.3776791 0.1393337 0.2886473 -0.1884190 0.2217797 0.1619477 0.2906664 -0.6262566 33 B -0.5381916 -0.3776791 -0.1393337 -0.2886473 -0.1884190 0.2217797 -0.1619477 0.2906664 -0.6262566 34 B -0.4829191 0.0972262 0.0366178 0.0793396 -0.2132347 0.3401515 -0.0451387 0.2118279 0.0445269 35 B -0.5350743 0.1983767 0.1379036 0.3570558 -0.2333766 0.2517294 0.0780799 0.2308475 -0.7604039 36 B 0.2016964 0.0000000 -0.1953888 0.0000000 -0.5255966 -0.0000000 -0.2726637 -0.0000000 -0.8089977 37 B -0.5350743 0.1983767 -0.1379036 0.3570558 -0.2333766 -0.2517294 -0.0780799 -0.2308475 -0.7604039 38 B 0.2016964 0.0000000 0.1953888 0.0000000 -0.5255966 -0.0000000 0.2726637 -0.0000000 -0.8089977 39 B -0.3621768 0.0000000 -0.3864383 0.0000000 -0.5296273 -0.0000000 -0.4741228 -0.0000000 0.4044449 40 B -0.4147998 -0.0440398 -0.0859738 -0.0865370 -0.1887046 -0.2840500 -0.0613934 -0.2365650 0.0125253 41 B -0.5350743 -0.1983767 -0.1379036 -0.3570558 -0.2333766 0.2517294 -0.0780799 0.2308475 -0.7604039 42 B -0.3621768 0.0000000 0.3864383 0.0000000 -0.5296273 -0.0000000 0.4741228 -0.0000000 0.4044449 43 B -0.5381916 0.3776791 -0.1393337 0.2886473 -0.1884190 -0.2217797 -0.1619477 -0.2906664 -0.6262566 44 B -0.4147998 0.0440398 0.0859738 0.0865370 -0.1887046 -0.2840500 0.0613934 -0.2365650 0.0125253 45 B 0.2016964 0.0000000 0.1953888 0.0000000 -0.5255966 -0.0000000 0.2726637 -0.0000000 -0.8089977 46 B -0.5381916 0.3776791 0.1393337 0.2886473 -0.1884190 0.2217797 0.1619477 0.2906664 -0.6262566 47 B -0.4829191 0.0972262 0.0366178 0.0793396 -0.2132347 0.3401515 -0.0451387 0.2118279 0.0445269 48 B -0.5350743 0.1983767 0.1379036 0.3570558 -0.2333766 0.2517294 0.0780799 0.2308475 -0.7604039 49 B -0.4829191 -0.0972262 0.0366178 -0.0793396 -0.2132347 -0.3401515 -0.0451387 -0.2118279 0.0445269 50 B -0.5381916 -0.3776791 -0.1393337 -0.2886473 -0.1884190 0.2217797 -0.1619477 0.2906664 -0.6262566 51 B -0.5350743 0.1983767 -0.1379036 0.3570558 -0.2333766 -0.2517294 -0.0780799 -0.2308475 -0.7604039 52 B -0.4147998 0.0440398 -0.0859738 0.0865370 -0.1887046 0.2840500 -0.0613934 0.2365650 0.0125253 53 B 0.2016964 0.0000000 -0.1953888 0.0000000 -0.5255966 -0.0000000 -0.2726637 -0.0000000 -0.8089977 54 B -0.3621768 0.0000000 -0.3864383 0.0000000 -0.5296273 -0.0000000 -0.4741228 -0.0000000 0.4044449 55 B -0.5381916 -0.3776791 0.1393337 -0.2886473 -0.1884190 -0.2217797 0.1619477 -0.2906664 -0.6262566 56 B -0.4829191 -0.0972262 0.0366178 -0.0793396 -0.2132347 -0.3401515 -0.0451387 -0.2118279 0.0445269 57 B -0.4829191 0.0972262 -0.0366178 0.0793396 -0.2132347 -0.3401515 0.0451387 -0.2118279 0.0445269 58 B 0.1617643 0.0000000 -0.1332941 0.0000000 -0.6634246 -0.0000000 -0.3542791 -0.0000000 -0.7141554 59 B -0.8441859 0.0000000 0.2246009 0.0000000 -0.6599731 -0.0000000 0.5423439 -0.0000000 -0.2277031 60 B 0.1617643 0.0000000 -0.1332941 0.0000000 -0.6634246 -0.0000000 -0.3542791 -0.0000000 -0.7141554 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 8 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.50, Number of G-points: 293, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 60 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 3.315 ( 0.000 0.000 0.000) 0.000 3.938 ( 0.000 0.000 0.000) 0.000 4.048 ( 0.000 0.000 0.000) 0.000 4.110 ( 0.000 0.000 0.000) 0.000 4.699 ( 0.000 0.000 0.000) 0.000 4.952 ( 0.000 0.000 0.000) 0.000 6.629 ( 0.000 0.000 0.000) 0.000 6.814 ( 0.000 0.000 0.000) 0.000 6.974 ( 0.000 0.000 0.000) 0.000 7.198 ( 0.000 0.000 0.000) 0.000 7.364 ( 0.000 0.000 0.000) 0.000 7.996 ( 0.000 0.000 0.000) 0.000 8.010 ( 0.000 0.000 0.000) 0.000 8.292 ( 0.000 0.000 0.000) 0.000 8.430 ( 0.000 0.000 0.000) 0.000 8.445 ( 0.000 0.000 0.000) 0.000 8.537 ( 0.000 0.000 0.000) 0.000 8.609 ( 0.000 0.000 0.000) 0.000 8.702 ( 0.000 0.000 0.000) 0.000 8.803 ( 0.000 0.000 0.000) 0.000 8.904 ( 0.000 0.000 0.000) 0.000 9.287 ( 0.000 0.000 0.000) 0.000 9.398 ( 0.000 0.000 0.000) 0.000 9.528 ( 0.000 0.000 0.000) 0.000 9.533 ( 0.000 0.000 0.000) 0.000 9.590 ( 0.000 0.000 0.000) 0.000 9.699 ( 0.000 0.000 0.000) 0.000 9.767 ( 0.000 0.000 0.000) 0.000 9.821 ( 0.000 0.000 0.000) 0.000 10.043 ( 0.000 0.000 0.000) 0.000 10.636 ( 0.000 0.000 0.000) 0.000 10.677 ( 0.000 0.000 0.000) 0.000 10.916 ( 0.000 0.000 0.000) 0.000 11.092 ( 0.000 0.000 0.000) 0.000 11.115 ( 0.000 0.000 0.000) 0.000 11.197 ( 0.000 0.000 0.000) 0.000 11.601 ( 0.000 0.000 0.000) 0.000 11.777 ( 0.000 0.000 0.000) 0.000 11.822 ( 0.000 0.000 0.000) 0.000 12.347 ( 0.000 0.000 0.000) 0.000 12.416 ( 0.000 0.000 0.000) 0.000 12.509 ( 0.000 0.000 0.000) 0.000 12.781 ( 0.000 0.000 0.000) 0.000 13.067 ( 0.000 0.000 0.000) 0.000 13.381 ( 0.000 0.000 0.000) 0.000 13.538 ( 0.000 0.000 0.000) 0.000 13.554 ( 0.000 0.000 0.000) 0.000 13.702 ( 0.000 0.000 0.000) 0.000 13.856 ( 0.000 0.000 0.000) 0.000 13.951 ( 0.000 0.000 0.000) 0.000 14.173 ( 0.000 0.000 0.000) 0.000 14.423 ( 0.000 0.000 0.000) 0.000 14.488 ( 0.000 0.000 0.000) 0.000 14.513 ( 0.000 0.000 0.000) 0.000 14.605 ( 0.000 0.000 0.000) 0.000 14.728 ( 0.000 0.000 0.000) 0.000 15.300 ( 0.000 0.000 0.000) 0.000 15.703 ( 0.000 0.000 0.000) 0.000 15.709 ( 0.000 0.000 0.000) 0.000 15.759 ( 0.000 0.000 0.000) 0.000 16.049 ( 0.000 0.000 0.000) 0.000 16.055 ( 0.000 0.000 0.000) 0.000 16.171 ( 0.000 0.000 0.000) 0.000 16.230 ( 0.000 0.000 0.000) 0.000 16.453 ( 0.000 0.000 0.000) 0.000 16.490 ( 0.000 0.000 0.000) 0.000 16.622 ( 0.000 0.000 0.000) 0.000 16.919 ( 0.000 0.000 0.000) 0.000 17.136 ( 0.000 0.000 0.000) 0.000 17.150 ( 0.000 0.000 0.000) 0.000 17.431 ( 0.000 0.000 0.000) 0.000 17.541 ( 0.000 0.000 0.000) 0.000 17.556 ( 0.000 0.000 0.000) 0.000 17.581 ( 0.000 0.000 0.000) 0.000 17.685 ( 0.000 0.000 0.000) 0.000 17.897 ( 0.000 0.000 0.000) 0.000 18.026 ( 0.000 0.000 0.000) 0.000 18.210 ( 0.000 0.000 0.000) 0.000 18.568 ( 0.000 0.000 0.000) 0.000 18.594 ( 0.000 0.000 0.000) 0.000 18.622 ( 0.000 0.000 0.000) 0.000 18.671 ( 0.000 0.000 0.000) 0.000 18.860 ( 0.000 0.000 0.000) 0.000 19.004 ( 0.000 0.000 0.000) 0.000 19.126 ( 0.000 0.000 0.000) 0.000 19.891 ( 0.000 0.000 0.000) 0.000 20.037 ( 0.000 0.000 0.000) 0.000 20.272 ( 0.000 0.000 0.000) 0.000 20.276 ( 0.000 0.000 0.000) 0.000 20.306 ( 0.000 0.000 0.000) 0.000 20.502 ( 0.000 0.000 0.000) 0.000 20.864 ( 0.000 0.000 0.000) 0.000 20.935 ( 0.000 0.000 0.000) 0.000 20.974 ( 0.000 0.000 0.000) 0.000 21.103 ( 0.000 0.000 0.000) 0.000 21.105 ( 0.000 0.000 0.000) 0.000 21.110 ( 0.000 0.000 0.000) 0.000 21.147 ( 0.000 0.000 0.000) 0.000 21.153 ( 0.000 0.000 0.000) 0.000 21.219 ( 0.000 0.000 0.000) 0.000 21.265 ( 0.000 0.000 0.000) 0.000 21.312 ( 0.000 0.000 0.000) 0.000 21.369 ( 0.000 0.000 0.000) 0.000 21.478 ( 0.000 0.000 0.000) 0.000 21.596 ( 0.000 0.000 0.000) 0.000 21.599 ( 0.000 0.000 0.000) 0.000 21.739 ( 0.000 0.000 0.000) 0.000 21.861 ( 0.000 0.000 0.000) 0.000 21.875 ( 0.000 0.000 0.000) 0.000 22.045 ( 0.000 0.000 0.000) 0.000 22.123 ( 0.000 0.000 0.000) 0.000 22.365 ( 0.000 0.000 0.000) 0.000 22.368 ( 0.000 0.000 0.000) 0.000 22.741 ( 0.000 0.000 0.000) 0.000 22.860 ( 0.000 0.000 0.000) 0.000 22.878 ( 0.000 0.000 0.000) 0.000 22.885 ( 0.000 0.000 0.000) 0.000 22.912 ( 0.000 0.000 0.000) 0.000 22.932 ( 0.000 0.000 0.000) 0.000 22.993 ( 0.000 0.000 0.000) 0.000 23.041 ( 0.000 0.000 0.000) 0.000 23.317 ( 0.000 0.000 0.000) 0.000 23.491 ( 0.000 0.000 0.000) 0.000 23.508 ( 0.000 0.000 0.000) 0.000 23.559 ( 0.000 0.000 0.000) 0.000 23.831 ( 0.000 0.000 0.000) 0.000 23.866 ( 0.000 0.000 0.000) 0.000 23.940 ( 0.000 0.000 0.000) 0.000 24.051 ( 0.000 0.000 0.000) 0.000 24.228 ( 0.000 0.000 0.000) 0.000 24.239 ( 0.000 0.000 0.000) 0.000 24.976 ( 0.000 0.000 0.000) 0.000 25.085 ( 0.000 0.000 0.000) 0.000 25.328 ( 0.000 0.000 0.000) 0.000 25.351 ( 0.000 0.000 0.000) 0.000 25.391 ( 0.000 0.000 0.000) 0.000 25.409 ( 0.000 0.000 0.000) 0.000 25.486 ( 0.000 0.000 0.000) 0.000 25.504 ( 0.000 0.000 0.000) 0.000 25.535 ( 0.000 0.000 0.000) 0.000 25.699 ( 0.000 0.000 0.000) 0.000 25.854 ( 0.000 0.000 0.000) 0.000 25.865 ( 0.000 0.000 0.000) 0.000 26.026 ( 0.000 0.000 0.000) 0.000 26.113 ( 0.000 0.000 0.000) 0.000 26.273 ( 0.000 0.000 0.000) 0.000 26.281 ( 0.000 0.000 0.000) 0.000 26.305 ( 0.000 0.000 0.000) 0.000 26.423 ( 0.000 0.000 0.000) 0.000 26.462 ( 0.000 0.000 0.000) 0.000 26.507 ( 0.000 0.000 0.000) 0.000 26.539 ( 0.000 0.000 0.000) 0.000 26.547 ( 0.000 0.000 0.000) 0.000 26.682 ( 0.000 0.000 0.000) 0.000 26.715 ( 0.000 0.000 0.000) 0.000 26.825 ( 0.000 0.000 0.000) 0.000 26.929 ( 0.000 0.000 0.000) 0.000 27.250 ( 0.000 0.000 0.000) 0.000 27.374 ( 0.000 0.000 0.000) 0.000 27.391 ( 0.000 0.000 0.000) 0.000 27.391 ( 0.000 0.000 0.000) 0.000 28.260 ( 0.000 0.000 0.000) 0.000 28.313 ( 0.000 0.000 0.000) 0.000 28.396 ( 0.000 0.000 0.000) 0.000 28.419 ( 0.000 0.000 0.000) 0.000 28.800 ( 0.000 0.000 0.000) 0.000 28.876 ( 0.000 0.000 0.000) 0.000 28.889 ( 0.000 0.000 0.000) 0.000 28.953 ( 0.000 0.000 0.000) 0.000 29.158 ( 0.000 0.000 0.000) 0.000 29.214 ( 0.000 0.000 0.000) 0.000 29.267 ( 0.000 0.000 0.000) 0.000 29.284 ( 0.000 0.000 0.000) 0.000 29.702 ( 0.000 0.000 0.000) 0.000 29.811 ( 0.000 0.000 0.000) 0.000 29.991 ( 0.000 0.000 0.000) 0.000 30.055 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 61.360 0.000 0.000) 61.360 1.264 ( 68.371 0.000 0.000) 68.371 2.205 ( 119.694 0.000 0.000) 119.694 3.237 ( -9.514 0.000 0.000) 9.514 3.945 ( 0.823 0.000 0.000) 0.823 4.036 ( -1.333 0.000 0.000) 1.333 4.133 ( 2.653 0.000 0.000) 2.653 4.363 ( -34.390 0.000 0.000) 34.390 4.782 ( -16.883 0.000 0.000) 16.883 6.642 ( 1.857 0.000 0.000) 1.857 6.908 ( -6.508 0.000 0.000) 6.508 7.101 ( 12.442 0.000 0.000) 12.442 7.264 ( 7.554 0.000 0.000) 7.554 7.402 ( 2.660 0.000 0.000) 2.660 7.793 ( -50.233 0.000 0.000) 50.233 8.093 ( -0.529 0.000 0.000) 0.529 8.182 ( -20.586 0.000 0.000) 20.586 8.243 ( 24.386 0.000 0.000) 24.386 8.534 ( 10.209 0.000 0.000) 10.209 8.611 ( 7.377 0.000 0.000) 7.377 8.617 ( -5.889 0.000 0.000) 5.889 8.796 ( -12.908 0.000 0.000) 12.908 8.883 ( 6.064 0.000 0.000) 6.064 9.033 ( 16.477 0.000 0.000) 16.477 9.123 ( -6.597 0.000 0.000) 6.597 9.158 ( -24.516 0.000 0.000) 24.516 9.396 ( -0.167 0.000 0.000) 0.167 9.488 ( -4.242 0.000 0.000) 4.242 9.667 ( 4.082 0.000 0.000) 4.082 9.765 ( 7.143 0.000 0.000) 7.143 9.768 ( 6.907 0.000 0.000) 6.907 9.776 ( -4.834 0.000 0.000) 4.834 10.158 ( 7.287 0.000 0.000) 7.287 10.497 ( -25.815 0.000 0.000) 25.815 10.606 ( -3.334 0.000 0.000) 3.334 10.891 ( 6.072 0.000 0.000) 6.072 11.003 ( -16.169 0.000 0.000) 16.169 11.088 ( -4.604 0.000 0.000) 4.604 11.275 ( 3.968 0.000 0.000) 3.968 11.727 ( -0.028 0.000 0.000) 0.028 11.840 ( 12.499 0.000 0.000) 12.499 12.277 ( -1.424 0.000 0.000) 1.424 12.313 ( 43.987 0.000 0.000) 43.987 12.334 ( -34.300 0.000 0.000) 34.300 12.473 ( 5.485 0.000 0.000) 5.485 12.670 ( 10.862 0.000 0.000) 10.862 13.280 ( 9.990 0.000 0.000) 9.990 13.378 ( -0.120 0.000 0.000) 0.120 13.452 ( -17.319 0.000 0.000) 17.319 13.548 ( 1.144 0.000 0.000) 1.144 13.563 ( 0.834 0.000 0.000) 0.834 14.091 ( 14.660 0.000 0.000) 14.660 14.091 ( -2.732 0.000 0.000) 2.732 14.259 ( 7.914 0.000 0.000) 7.914 14.406 ( -12.842 0.000 0.000) 12.842 14.502 ( 1.337 0.000 0.000) 1.337 14.509 ( -0.643 0.000 0.000) 0.643 14.585 ( -1.096 0.000 0.000) 1.096 14.719 ( -1.182 0.000 0.000) 1.182 15.168 ( -11.434 0.000 0.000) 11.434 15.763 ( 1.209 0.000 0.000) 1.209 15.818 ( 10.944 0.000 0.000) 10.944 15.857 ( 9.287 0.000 0.000) 9.287 16.095 ( 4.524 0.000 0.000) 4.524 16.107 ( 4.571 0.000 0.000) 4.571 16.192 ( 1.703 0.000 0.000) 1.703 16.239 ( 0.921 0.000 0.000) 0.921 16.446 ( -4.815 0.000 0.000) 4.815 16.476 ( -5.319 0.000 0.000) 5.319 16.620 ( -0.535 0.000 0.000) 0.535 16.922 ( 0.634 0.000 0.000) 0.634 17.080 ( -5.206 0.000 0.000) 5.206 17.121 ( -3.122 0.000 0.000) 3.122 17.348 ( -11.281 0.000 0.000) 11.281 17.550 ( 1.038 0.000 0.000) 1.038 17.559 ( 0.434 0.000 0.000) 0.434 17.614 ( 1.082 0.000 0.000) 1.082 17.662 ( -2.292 0.000 0.000) 2.292 17.907 ( 1.078 0.000 0.000) 1.078 18.011 ( -1.527 0.000 0.000) 1.527 18.243 ( 3.469 0.000 0.000) 3.469 18.534 ( -3.735 0.000 0.000) 3.735 18.597 ( 0.345 0.000 0.000) 0.345 18.617 ( -0.331 0.000 0.000) 0.331 18.695 ( 2.333 0.000 0.000) 2.333 18.845 ( -1.659 0.000 0.000) 1.659 19.026 ( 2.206 0.000 0.000) 2.206 19.140 ( -0.715 0.000 0.000) 0.715 19.920 ( 2.868 0.000 0.000) 2.868 20.040 ( 0.091 0.000 0.000) 0.091 20.279 ( 0.308 0.000 0.000) 0.308 20.296 ( 2.091 0.000 0.000) 2.091 20.303 ( -0.298 0.000 0.000) 0.298 20.479 ( -2.423 0.000 0.000) 2.423 20.885 ( 2.140 0.000 0.000) 2.140 20.947 ( 1.291 0.000 0.000) 1.291 20.988 ( 1.403 0.000 0.000) 1.403 21.064 ( -2.931 0.000 0.000) 2.931 21.092 ( -0.269 0.000 0.000) 0.269 21.135 ( -1.131 0.000 0.000) 1.131 21.146 ( 2.924 0.000 0.000) 2.924 21.204 ( 3.577 0.000 0.000) 3.577 21.217 ( -0.269 0.000 0.000) 0.269 21.297 ( 3.115 0.000 0.000) 3.115 21.318 ( 0.785 0.000 0.000) 0.785 21.350 ( -1.822 0.000 0.000) 1.822 21.441 ( -3.714 0.000 0.000) 3.714 21.570 ( -3.112 0.000 0.000) 3.112 21.612 ( 1.702 0.000 0.000) 1.702 21.727 ( -1.231 0.000 0.000) 1.231 21.875 ( 0.108 0.000 0.000) 0.108 21.896 ( 3.352 0.000 0.000) 3.352 22.012 ( -3.326 0.000 0.000) 3.326 22.108 ( -1.745 0.000 0.000) 1.745 22.361 ( -0.262 0.000 0.000) 0.262 22.379 ( -0.201 0.000 0.000) 0.201 22.764 ( 2.264 0.000 0.000) 2.264 22.855 ( -0.481 0.000 0.000) 0.481 22.861 ( -1.154 0.000 0.000) 1.154 22.875 ( -1.014 0.000 0.000) 1.014 22.931 ( 1.675 0.000 0.000) 1.675 22.958 ( 2.056 0.000 0.000) 2.056 22.998 ( 0.473 0.000 0.000) 0.473 23.031 ( -1.083 0.000 0.000) 1.083 23.328 ( 1.126 0.000 0.000) 1.126 23.454 ( -2.845 0.000 0.000) 2.845 23.550 ( 3.726 0.000 0.000) 3.726 23.607 ( 4.011 0.000 0.000) 4.011 23.825 ( -1.580 0.000 0.000) 1.580 23.864 ( 0.754 0.000 0.000) 0.754 23.891 ( -5.012 0.000 0.000) 5.012 24.026 ( -2.569 0.000 0.000) 2.569 24.227 ( -0.055 0.000 0.000) 0.055 24.236 ( -0.241 0.000 0.000) 0.241 24.981 ( 0.612 0.000 0.000) 0.612 25.067 ( -1.764 0.000 0.000) 1.764 25.339 ( 1.120 0.000 0.000) 1.120 25.358 ( 0.647 0.000 0.000) 0.647 25.401 ( 1.087 0.000 0.000) 1.087 25.414 ( 0.551 0.000 0.000) 0.551 25.476 ( -0.987 0.000 0.000) 0.987 25.493 ( -1.147 0.000 0.000) 1.147 25.585 ( 2.380 0.000 0.000) 2.380 25.698 ( -0.161 0.000 0.000) 0.161 25.831 ( -1.930 0.000 0.000) 1.930 25.844 ( -2.108 0.000 0.000) 2.108 26.061 ( 2.691 0.000 0.000) 2.691 26.115 ( 0.241 0.000 0.000) 0.241 26.281 ( 0.079 0.000 0.000) 0.079 26.296 ( 2.370 0.000 0.000) 2.370 26.307 ( 0.034 0.000 0.000) 0.034 26.432 ( 0.641 0.000 0.000) 0.641 26.447 ( -1.549 0.000 0.000) 1.549 26.513 ( 0.517 0.000 0.000) 0.517 26.529 ( -1.838 0.000 0.000) 1.838 26.537 ( -0.163 0.000 0.000) 0.163 26.685 ( 0.321 0.000 0.000) 0.321 26.712 ( -0.361 0.000 0.000) 0.361 26.836 ( 1.169 0.000 0.000) 1.169 26.920 ( -0.962 0.000 0.000) 0.962 27.262 ( 1.256 0.000 0.000) 1.256 27.368 ( -1.649 0.000 0.000) 1.649 27.379 ( 0.406 0.000 0.000) 0.406 27.399 ( 0.126 0.000 0.000) 0.126 28.262 ( 0.205 0.000 0.000) 0.205 28.303 ( -0.905 0.000 0.000) 0.905 28.400 ( 0.438 0.000 0.000) 0.438 28.419 ( 0.005 0.000 0.000) 0.005 28.815 ( 0.484 0.000 0.000) 0.484 28.868 ( -0.826 0.000 0.000) 0.826 28.896 ( 0.678 0.000 0.000) 0.678 28.947 ( -0.645 0.000 0.000) 0.645 29.169 ( 1.223 0.000 0.000) 1.223 29.222 ( 0.852 0.000 0.000) 0.852 29.258 ( -0.981 0.000 0.000) 0.981 29.285 ( -0.802 0.000 0.000) 0.802 29.712 ( 1.059 0.000 0.000) 1.059 29.800 ( -1.148 0.000 0.000) 1.148 29.998 ( 0.724 0.000 0.000) 0.724 30.049 ( -0.567 0.000 0.000) 0.567 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 49.810 0.000 0.000) 49.810 2.467 ( 63.158 0.000 0.000) 63.158 2.908 ( -28.474 0.000 0.000) 28.474 3.531 ( -51.722 0.000 0.000) 51.722 3.968 ( 1.700 0.000 0.000) 1.700 4.004 ( -2.020 0.000 0.000) 2.020 4.221 ( 7.765 0.000 0.000) 7.765 4.347 ( 111.676 0.000 0.000) 111.676 4.445 ( -17.017 0.000 0.000) 17.017 6.282 ( -96.356 0.000 0.000) 96.356 6.702 ( 4.644 0.000 0.000) 4.644 6.814 ( -9.103 0.000 0.000) 9.103 7.321 ( 10.116 0.000 0.000) 10.116 7.435 ( -2.080 0.000 0.000) 2.080 7.474 ( 15.266 0.000 0.000) 15.266 7.802 ( -20.150 0.000 0.000) 20.150 8.234 ( 13.082 0.000 0.000) 13.082 8.488 ( -10.579 0.000 0.000) 10.579 8.654 ( -2.097 0.000 0.000) 2.097 8.690 ( 10.189 0.000 0.000) 10.189 8.735 ( 3.877 0.000 0.000) 3.877 8.745 ( -14.726 0.000 0.000) 14.726 8.854 ( 33.286 0.000 0.000) 33.286 9.003 ( 4.738 0.000 0.000) 4.738 9.072 ( -2.583 0.000 0.000) 2.583 9.252 ( 0.057 0.000 0.000) 0.057 9.408 ( 2.309 0.000 0.000) 2.309 9.409 ( -0.090 0.000 0.000) 0.090 9.662 ( -5.882 0.000 0.000) 5.882 9.819 ( 8.016 0.000 0.000) 8.016 9.865 ( 2.825 0.000 0.000) 2.825 9.881 ( -33.981 0.000 0.000) 33.981 9.957 ( 12.976 0.000 0.000) 12.976 10.164 ( -7.267 0.000 0.000) 7.267 10.561 ( 0.564 0.000 0.000) 0.564 10.695 ( -14.015 0.000 0.000) 14.015 11.109 ( 5.415 0.000 0.000) 5.415 11.161 ( 22.762 0.000 0.000) 22.762 11.232 ( -6.297 0.000 0.000) 6.297 11.691 ( -34.096 0.000 0.000) 34.096 11.766 ( 4.192 0.000 0.000) 4.192 11.865 ( -5.539 0.000 0.000) 5.539 12.438 ( 12.844 0.000 0.000) 12.844 12.549 ( 1.060 0.000 0.000) 1.060 12.861 ( 11.040 0.000 0.000) 11.040 13.096 ( 3.462 0.000 0.000) 3.462 13.183 ( 22.347 0.000 0.000) 22.347 13.374 ( 1.630 0.000 0.000) 1.630 13.380 ( 0.246 0.000 0.000) 0.246 13.573 ( 1.065 0.000 0.000) 1.065 13.577 ( 0.463 0.000 0.000) 0.463 13.821 ( -28.433 0.000 0.000) 28.433 14.265 ( 2.957 0.000 0.000) 2.957 14.268 ( -0.515 0.000 0.000) 0.515 14.399 ( 6.429 0.000 0.000) 6.429 14.481 ( -2.709 0.000 0.000) 2.709 14.546 ( 3.347 0.000 0.000) 3.347 14.596 ( -0.214 0.000 0.000) 0.214 14.729 ( 6.465 0.000 0.000) 6.465 14.939 ( -13.252 0.000 0.000) 13.252 15.833 ( 6.646 0.000 0.000) 6.646 15.949 ( -2.222 0.000 0.000) 2.222 16.050 ( 12.704 0.000 0.000) 12.704 16.167 ( 2.243 0.000 0.000) 2.243 16.170 ( 1.607 0.000 0.000) 1.607 16.206 ( -0.848 0.000 0.000) 0.848 16.255 ( 0.741 0.000 0.000) 0.741 16.321 ( -7.845 0.000 0.000) 7.845 16.455 ( 5.022 0.000 0.000) 5.022 16.575 ( -5.325 0.000 0.000) 5.325 16.957 ( 3.495 0.000 0.000) 3.495 17.018 ( 0.827 0.000 0.000) 0.827 17.042 ( -5.174 0.000 0.000) 5.174 17.134 ( -10.671 0.000 0.000) 10.671 17.575 ( 1.492 0.000 0.000) 1.492 17.577 ( 1.829 0.000 0.000) 1.829 17.609 ( -1.336 0.000 0.000) 1.336 17.614 ( -2.646 0.000 0.000) 2.646 17.935 ( 1.969 0.000 0.000) 1.969 17.975 ( -2.249 0.000 0.000) 2.249 18.330 ( 5.783 0.000 0.000) 5.783 18.441 ( -6.037 0.000 0.000) 6.037 18.604 ( 0.424 0.000 0.000) 0.424 18.611 ( -0.326 0.000 0.000) 0.326 18.747 ( 3.152 0.000 0.000) 3.152 18.803 ( -2.844 0.000 0.000) 2.844 19.074 ( 2.766 0.000 0.000) 2.766 19.117 ( -1.826 0.000 0.000) 1.826 19.981 ( 3.350 0.000 0.000) 3.350 20.028 ( -1.634 0.000 0.000) 1.634 20.287 ( 0.483 0.000 0.000) 0.483 20.296 ( -0.476 0.000 0.000) 0.476 20.351 ( 3.724 0.000 0.000) 3.724 20.421 ( -3.745 0.000 0.000) 3.745 20.935 ( 3.096 0.000 0.000) 3.096 20.972 ( 0.558 0.000 0.000) 0.558 21.008 ( 0.197 0.000 0.000) 0.197 21.012 ( -2.123 0.000 0.000) 2.123 21.095 ( 0.574 0.000 0.000) 0.574 21.112 ( -1.255 0.000 0.000) 1.255 21.211 ( 4.051 0.000 0.000) 4.051 21.222 ( 1.392 0.000 0.000) 1.392 21.247 ( 0.251 0.000 0.000) 0.251 21.284 ( -3.720 0.000 0.000) 3.720 21.338 ( 1.147 0.000 0.000) 1.147 21.369 ( -3.121 0.000 0.000) 3.121 21.392 ( 5.404 0.000 0.000) 5.404 21.492 ( -5.232 0.000 0.000) 5.232 21.652 ( 2.465 0.000 0.000) 2.465 21.696 ( -2.185 0.000 0.000) 2.185 21.889 ( 1.713 0.000 0.000) 1.713 21.939 ( -3.428 0.000 0.000) 3.428 21.976 ( 4.463 0.000 0.000) 4.463 22.057 ( -3.811 0.000 0.000) 3.811 22.361 ( 0.381 0.000 0.000) 0.381 22.372 ( -0.616 0.000 0.000) 0.616 22.811 ( 2.595 0.000 0.000) 2.595 22.847 ( -0.301 0.000 0.000) 0.301 22.847 ( -0.382 0.000 0.000) 0.382 22.851 ( -1.737 0.000 0.000) 1.737 22.966 ( 2.110 0.000 0.000) 2.110 22.991 ( 1.314 0.000 0.000) 1.314 23.003 ( -0.078 0.000 0.000) 0.078 23.004 ( -1.891 0.000 0.000) 1.891 23.357 ( 2.098 0.000 0.000) 2.098 23.402 ( -2.717 0.000 0.000) 2.717 23.645 ( 6.497 0.000 0.000) 6.497 23.688 ( 4.652 0.000 0.000) 4.652 23.769 ( -4.053 0.000 0.000) 4.053 23.774 ( -7.284 0.000 0.000) 7.284 23.902 ( 3.062 0.000 0.000) 3.062 23.966 ( -3.724 0.000 0.000) 3.724 24.227 ( 0.092 0.000 0.000) 0.092 24.231 ( -0.286 0.000 0.000) 0.286 24.999 ( 1.381 0.000 0.000) 1.381 25.031 ( -2.024 0.000 0.000) 2.024 25.360 ( 0.894 0.000 0.000) 0.894 25.367 ( 0.120 0.000 0.000) 0.120 25.427 ( 1.504 0.000 0.000) 1.504 25.428 ( 0.925 0.000 0.000) 0.925 25.455 ( -1.030 0.000 0.000) 1.030 25.466 ( -1.689 0.000 0.000) 1.689 25.640 ( 3.276 0.000 0.000) 3.276 25.687 ( -1.442 0.000 0.000) 1.442 25.800 ( -1.112 0.000 0.000) 1.112 25.804 ( -1.624 0.000 0.000) 1.624 26.105 ( 1.715 0.000 0.000) 1.715 26.119 ( -0.037 0.000 0.000) 0.037 26.288 ( 0.685 0.000 0.000) 0.685 26.302 ( -0.642 0.000 0.000) 0.642 26.350 ( 3.298 0.000 0.000) 3.298 26.407 ( -2.791 0.000 0.000) 2.791 26.451 ( 1.570 0.000 0.000) 1.570 26.488 ( -2.377 0.000 0.000) 2.377 26.523 ( 0.593 0.000 0.000) 0.593 26.533 ( -0.391 0.000 0.000) 0.391 26.693 ( 0.536 0.000 0.000) 0.536 26.703 ( -0.561 0.000 0.000) 0.561 26.864 ( 1.754 0.000 0.000) 1.754 26.895 ( -1.630 0.000 0.000) 1.630 27.293 ( 2.070 0.000 0.000) 2.070 27.333 ( -2.182 0.000 0.000) 2.182 27.388 ( 0.560 0.000 0.000) 0.560 27.397 ( -0.362 0.000 0.000) 0.362 28.269 ( 0.633 0.000 0.000) 0.633 28.285 ( -1.039 0.000 0.000) 1.039 28.410 ( 0.529 0.000 0.000) 0.529 28.417 ( -0.281 0.000 0.000) 0.281 28.829 ( 0.956 0.000 0.000) 0.956 28.849 ( -1.166 0.000 0.000) 1.166 28.912 ( 1.040 0.000 0.000) 1.040 28.931 ( -1.010 0.000 0.000) 1.010 29.199 ( 1.876 0.000 0.000) 1.876 29.233 ( -1.752 0.000 0.000) 1.752 29.242 ( 1.281 0.000 0.000) 1.281 29.265 ( -1.236 0.000 0.000) 1.236 29.739 ( 1.752 0.000 0.000) 1.752 29.772 ( -1.806 0.000 0.000) 1.806 30.015 ( 1.097 0.000 0.000) 1.097 30.035 ( -1.001 0.000 0.000) 1.001 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 0.000 68.063 0.000) 68.063 1.648 ( 0.000 79.000 0.000) 79.000 2.408 ( 0.000 111.700 0.000) 111.700 3.530 ( 0.000 15.459 0.000) 15.459 3.992 ( 0.000 5.232 0.000) 5.232 4.082 ( 0.000 2.804 0.000) 2.804 4.912 ( 0.000 2.544 0.000) 2.544 4.987 ( 0.000 26.655 0.000) 26.655 5.434 ( 0.000 46.251 0.000) 46.251 6.640 ( 0.000 1.237 0.000) 1.237 6.785 ( 0.000 -2.301 0.000) 2.301 6.922 ( 0.000 -3.192 0.000) 3.192 7.432 ( 0.000 6.119 0.000) 6.119 7.452 ( 0.000 21.903 0.000) 21.903 7.927 ( 0.000 -15.877 0.000) 15.877 7.967 ( 0.000 -1.307 0.000) 1.307 8.136 ( 0.000 8.996 0.000) 8.996 8.332 ( 0.000 -11.805 0.000) 11.805 8.415 ( 0.000 -25.401 0.000) 25.401 8.606 ( 0.000 -10.762 0.000) 10.762 8.613 ( 0.000 12.687 0.000) 12.687 8.805 ( 0.000 13.844 0.000) 13.844 8.963 ( 0.000 13.791 0.000) 13.791 8.979 ( 0.000 7.744 0.000) 7.744 9.180 ( 0.000 16.755 0.000) 16.755 9.428 ( 0.000 -9.141 0.000) 9.141 9.655 ( 0.000 0.664 0.000) 0.664 9.658 ( 0.000 8.067 0.000) 8.067 9.789 ( 0.000 11.183 0.000) 11.183 9.833 ( 0.000 25.557 0.000) 25.557 9.994 ( 0.000 16.937 0.000) 16.937 10.046 ( 0.000 1.077 0.000) 1.077 10.177 ( 0.000 37.607 0.000) 37.607 10.661 ( 0.000 -1.414 0.000) 1.414 10.667 ( 0.000 3.226 0.000) 3.226 10.771 ( 0.000 -6.817 0.000) 6.817 11.062 ( 0.000 -4.929 0.000) 4.929 11.212 ( 0.000 1.616 0.000) 1.616 11.309 ( 0.000 14.175 0.000) 14.175 11.618 ( 0.000 2.189 0.000) 2.189 11.663 ( 0.000 -10.018 0.000) 10.018 11.768 ( 0.000 -4.620 0.000) 4.620 12.290 ( 0.000 -11.880 0.000) 11.880 12.326 ( 0.000 -1.983 0.000) 1.983 12.599 ( 0.000 6.815 0.000) 6.815 12.717 ( 0.000 -6.098 0.000) 6.098 13.016 ( 0.000 -6.635 0.000) 6.635 13.177 ( 0.000 -21.728 0.000) 21.728 13.207 ( 0.000 -17.007 0.000) 17.007 13.584 ( 0.000 -12.266 0.000) 12.266 13.776 ( 0.000 -16.556 0.000) 16.556 13.814 ( 0.000 -3.210 0.000) 3.210 13.930 ( 0.000 -16.998 0.000) 16.998 13.957 ( 0.000 10.735 0.000) 10.735 14.291 ( 0.000 -11.477 0.000) 11.477 14.352 ( 0.000 -14.260 0.000) 14.260 14.648 ( 0.000 4.743 0.000) 4.743 14.698 ( 0.000 -3.701 0.000) 3.701 14.725 ( 0.000 15.044 0.000) 15.044 15.326 ( 0.000 2.298 0.000) 2.298 15.649 ( 0.000 -4.442 0.000) 4.442 15.675 ( 0.000 -2.546 0.000) 2.546 15.830 ( 0.000 6.120 0.000) 6.120 16.010 ( 0.000 0.328 0.000) 0.328 16.104 ( 0.000 1.869 0.000) 1.869 16.189 ( 0.000 1.796 0.000) 1.796 16.312 ( 0.000 6.614 0.000) 6.614 16.537 ( 0.000 7.328 0.000) 7.328 16.547 ( 0.000 -4.885 0.000) 4.885 16.580 ( 0.000 2.951 0.000) 2.951 16.949 ( 0.000 -6.273 0.000) 6.273 17.030 ( 0.000 9.242 0.000) 9.242 17.350 ( 0.000 -6.060 0.000) 6.060 17.357 ( 0.000 4.887 0.000) 4.887 17.440 ( 0.000 -9.428 0.000) 9.428 17.478 ( 0.000 -9.204 0.000) 9.204 17.780 ( 0.000 18.997 0.000) 18.997 17.843 ( 0.000 -5.024 0.000) 5.024 17.871 ( 0.000 18.961 0.000) 18.961 17.938 ( 0.000 -8.143 0.000) 8.143 18.193 ( 0.000 -2.387 0.000) 2.387 18.487 ( 0.000 -9.431 0.000) 9.431 18.613 ( 0.000 4.846 0.000) 4.846 18.659 ( 0.000 6.330 0.000) 6.330 18.766 ( 0.000 5.260 0.000) 5.260 18.911 ( 0.000 4.053 0.000) 4.053 19.031 ( 0.000 2.608 0.000) 2.608 19.143 ( 0.000 1.714 0.000) 1.714 19.879 ( 0.000 -0.843 0.000) 0.843 20.013 ( 0.000 -2.440 0.000) 2.440 20.223 ( 0.000 -5.860 0.000) 5.860 20.232 ( 0.000 -3.624 0.000) 3.624 20.300 ( 0.000 -0.644 0.000) 0.644 20.478 ( 0.000 -2.263 0.000) 2.263 20.801 ( 0.000 -12.372 0.000) 12.372 20.854 ( 0.000 -1.079 0.000) 1.079 20.936 ( 0.000 -4.110 0.000) 4.110 21.054 ( 0.000 -4.441 0.000) 4.441 21.058 ( 0.000 -3.006 0.000) 3.006 21.067 ( 0.000 -11.095 0.000) 11.095 21.116 ( 0.000 -3.388 0.000) 3.388 21.178 ( 0.000 1.919 0.000) 1.919 21.216 ( 0.000 7.781 0.000) 7.781 21.267 ( 0.000 -3.804 0.000) 3.804 21.286 ( 0.000 2.828 0.000) 2.828 21.423 ( 0.000 4.509 0.000) 4.509 21.477 ( 0.000 0.013 0.000) 0.013 21.582 ( 0.000 -1.209 0.000) 1.209 21.697 ( 0.000 4.944 0.000) 4.944 21.805 ( 0.000 4.035 0.000) 4.035 21.859 ( 0.000 -0.148 0.000) 0.148 21.867 ( 0.000 1.303 0.000) 1.303 22.020 ( 0.000 -2.309 0.000) 2.309 22.097 ( 0.000 -2.605 0.000) 2.605 22.319 ( 0.000 -4.097 0.000) 4.097 22.346 ( 0.000 -2.106 0.000) 2.106 22.710 ( 0.000 -3.116 0.000) 3.116 22.753 ( 0.000 -5.559 0.000) 5.559 22.810 ( 0.000 -3.650 0.000) 3.650 22.846 ( 0.000 -6.191 0.000) 6.191 22.996 ( 0.000 4.379 0.000) 4.379 23.017 ( 0.000 6.155 0.000) 6.155 23.047 ( 0.000 4.930 0.000) 4.930 23.104 ( 0.000 4.638 0.000) 4.638 23.315 ( 0.000 -0.841 0.000) 0.841 23.494 ( 0.000 -1.291 0.000) 1.291 23.498 ( 0.000 -5.296 0.000) 5.296 23.519 ( 0.000 2.366 0.000) 2.366 23.848 ( 0.000 1.078 0.000) 1.078 23.901 ( 0.000 3.042 0.000) 3.042 23.945 ( 0.000 0.701 0.000) 0.701 24.021 ( 0.000 -0.085 0.000) 0.085 24.301 ( 0.000 6.381 0.000) 6.381 24.359 ( 0.000 8.318 0.000) 8.318 24.945 ( 0.000 -2.788 0.000) 2.788 25.032 ( 0.000 -4.706 0.000) 4.706 25.294 ( 0.000 -2.888 0.000) 2.888 25.312 ( 0.000 -3.144 0.000) 3.144 25.409 ( 0.000 1.581 0.000) 1.581 25.435 ( 0.000 1.998 0.000) 1.998 25.496 ( 0.000 -2.666 0.000) 2.666 25.507 ( 0.000 1.546 0.000) 1.546 25.538 ( 0.000 1.809 0.000) 1.809 25.742 ( 0.000 4.200 0.000) 4.200 25.794 ( 0.000 -6.051 0.000) 6.051 25.878 ( 0.000 2.312 0.000) 2.312 26.020 ( 0.000 -0.571 0.000) 0.571 26.115 ( 0.000 0.326 0.000) 0.326 26.262 ( 0.000 -1.862 0.000) 1.862 26.281 ( 0.000 -0.954 0.000) 0.954 26.328 ( 0.000 3.203 0.000) 3.203 26.376 ( 0.000 -2.965 0.000) 2.965 26.500 ( 0.000 2.020 0.000) 2.020 26.518 ( 0.000 -1.479 0.000) 1.479 26.523 ( 0.000 -2.248 0.000) 2.248 26.539 ( 0.000 -0.221 0.000) 0.221 26.711 ( 0.000 2.714 0.000) 2.714 26.736 ( 0.000 1.933 0.000) 1.933 26.842 ( 0.000 1.448 0.000) 1.448 26.921 ( 0.000 -0.550 0.000) 0.550 27.263 ( 0.000 1.227 0.000) 1.227 27.377 ( 0.000 0.216 0.000) 0.216 27.385 ( 0.000 -0.575 0.000) 0.575 27.387 ( 0.000 -0.435 0.000) 0.435 28.258 ( 0.000 -0.174 0.000) 0.174 28.309 ( 0.000 -1.109 0.000) 1.109 28.387 ( 0.000 -0.867 0.000) 0.867 28.391 ( 0.000 -2.531 0.000) 2.531 28.805 ( 0.000 0.478 0.000) 0.478 28.869 ( 0.000 -0.602 0.000) 0.602 28.901 ( 0.000 0.942 0.000) 0.942 28.958 ( 0.000 0.340 0.000) 0.340 29.178 ( 0.000 1.918 0.000) 1.918 29.200 ( 0.000 -1.014 0.000) 1.014 29.255 ( 0.000 -0.928 0.000) 0.928 29.287 ( 0.000 0.370 0.000) 0.370 29.696 ( 0.000 -1.008 0.000) 1.008 29.793 ( 0.000 -1.699 0.000) 1.699 29.960 ( 0.000 -2.928 0.000) 2.928 30.011 ( 0.000 -4.153 0.000) 4.153 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 41.393 62.447 0.000) 74.920 2.106 ( 50.652 52.231 0.000) 72.757 2.994 ( 63.535 72.606 0.000) 96.480 3.498 ( -3.997 18.438 0.000) 18.866 4.029 ( 5.260 9.017 0.000) 10.439 4.072 ( -1.071 3.040 0.000) 3.223 4.588 ( -18.572 24.646 0.000) 30.860 4.674 ( -29.699 28.020 0.000) 40.831 5.220 ( -21.716 42.279 0.000) 47.530 6.637 ( 0.605 -0.339 0.000) 0.693 6.854 ( -6.706 -3.791 0.000) 7.703 7.004 ( 15.834 -5.558 0.000) 16.781 7.345 ( -4.975 2.719 0.000) 5.669 7.580 ( 4.575 18.101 0.000) 18.670 7.650 ( -31.794 -4.809 0.000) 32.156 8.051 ( 5.591 -2.750 0.000) 6.231 8.276 ( -5.369 -16.478 0.000) 17.331 8.291 ( 13.319 -2.093 0.000) 13.482 8.393 ( -18.553 16.356 0.000) 24.733 8.465 ( 7.044 -17.351 0.000) 18.726 8.730 ( 10.790 -2.739 0.000) 11.132 8.825 ( 3.561 -1.557 0.000) 3.887 8.851 ( -5.649 15.531 0.000) 16.527 9.141 ( -12.462 -0.482 0.000) 12.471 9.148 ( -2.995 12.387 0.000) 12.744 9.237 ( 10.239 16.006 0.000) 19.001 9.672 ( -3.251 5.259 0.000) 6.183 9.676 ( -8.120 8.277 0.000) 11.595 9.790 ( 1.655 11.695 0.000) 11.811 9.810 ( 0.877 11.732 0.000) 11.765 9.934 ( -2.545 25.444 0.000) 25.571 9.978 ( -1.008 18.860 0.000) 18.886 10.108 ( 2.222 0.980 0.000) 2.429 10.564 ( -9.315 5.115 0.000) 10.627 10.630 ( -3.549 2.545 0.000) 4.367 10.865 ( 8.945 -0.905 0.000) 8.991 11.023 ( -12.564 3.993 0.000) 13.183 11.241 ( 3.657 -2.981 0.000) 4.718 11.242 ( -6.801 13.608 0.000) 15.213 11.667 ( -0.433 -5.626 0.000) 5.643 11.820 ( 13.408 -1.699 0.000) 13.515 12.127 ( 22.082 -9.308 0.000) 23.964 12.269 ( -2.599 -1.462 0.000) 2.982 12.330 ( 7.555 -9.862 0.000) 12.423 12.462 ( -8.484 0.958 0.000) 8.538 12.680 ( 7.171 1.913 0.000) 7.422 13.109 ( 0.247 -15.943 0.000) 15.945 13.202 ( 0.160 -17.958 0.000) 17.959 13.285 ( 10.424 -9.625 0.000) 14.188 13.526 ( -3.897 -6.312 0.000) 7.418 13.602 ( -14.676 -2.461 0.000) 14.881 13.817 ( 0.337 -20.836 0.000) 20.839 14.023 ( 9.171 -16.429 0.000) 18.816 14.067 ( 5.261 -3.434 0.000) 6.283 14.232 ( -7.691 -13.931 0.000) 15.913 14.367 ( 0.423 -10.913 0.000) 10.921 14.616 ( -0.932 1.717 0.000) 1.953 14.715 ( -1.179 14.219 0.000) 14.268 14.719 ( 1.566 0.968 0.000) 1.841 15.183 ( -10.807 1.782 0.000) 10.953 15.702 ( 2.191 -3.381 0.000) 4.029 15.774 ( 7.281 -6.299 0.000) 9.628 15.916 ( 9.398 6.913 0.000) 11.666 16.056 ( 4.588 1.596 0.000) 4.858 16.158 ( 5.808 -0.053 0.000) 5.808 16.211 ( 1.996 2.048 0.000) 2.860 16.327 ( 1.523 6.665 0.000) 6.837 16.513 ( -6.700 3.671 0.000) 7.640 16.525 ( -1.984 7.393 0.000) 7.655 16.534 ( -1.746 -5.712 0.000) 5.972 16.927 ( -1.829 -5.267 0.000) 5.575 17.022 ( -0.687 7.963 0.000) 7.992 17.259 ( -8.231 -6.497 0.000) 10.486 17.303 ( -5.308 4.148 0.000) 6.736 17.455 ( 1.325 -7.801 0.000) 7.912 17.508 ( 1.455 -8.018 0.000) 8.149 17.780 ( 0.002 18.425 0.000) 18.425 17.849 ( -1.688 15.607 0.000) 15.698 17.852 ( 0.607 -2.433 0.000) 2.507 17.930 ( -0.922 -7.541 0.000) 7.597 18.222 ( 3.214 -2.314 0.000) 3.961 18.465 ( -2.461 -7.279 0.000) 7.684 18.630 ( 1.389 4.125 0.000) 4.352 18.658 ( -0.090 5.974 0.000) 5.974 18.766 ( 0.454 4.914 0.000) 4.935 18.891 ( -1.995 3.861 0.000) 4.346 19.052 ( 2.054 2.492 0.000) 3.229 19.146 ( -0.125 1.303 0.000) 1.309 19.904 ( 2.535 -1.196 0.000) 2.803 20.015 ( 0.010 -2.473 0.000) 2.473 20.226 ( 0.828 -5.083 0.000) 5.150 20.259 ( 2.414 -3.394 0.000) 4.165 20.294 ( -0.687 -0.956 0.000) 1.177 20.451 ( -2.792 -2.630 0.000) 3.835 20.815 ( 1.604 -12.149 0.000) 12.255 20.868 ( 1.356 -1.972 0.000) 2.393 20.942 ( 0.382 -4.285 0.000) 4.302 21.026 ( -2.555 -3.549 0.000) 4.373 21.052 ( -1.339 -10.978 0.000) 11.060 21.053 ( -0.502 -3.904 0.000) 3.936 21.134 ( 1.928 -2.584 0.000) 3.224 21.209 ( 2.135 0.647 0.000) 2.231 21.233 ( 1.961 7.262 0.000) 7.522 21.270 ( 0.783 -3.032 0.000) 3.132 21.318 ( 2.585 1.628 0.000) 3.055 21.414 ( -0.642 5.415 0.000) 5.453 21.443 ( -3.475 0.107 0.000) 3.477 21.558 ( -2.515 -0.595 0.000) 2.584 21.710 ( 1.346 5.238 0.000) 5.408 21.785 ( -1.427 4.049 0.000) 4.293 21.863 ( -0.310 0.556 0.000) 0.637 21.895 ( 3.378 0.389 0.000) 3.401 21.989 ( -3.144 -2.107 0.000) 3.785 22.084 ( -1.438 -2.230 0.000) 2.654 22.317 ( -0.065 -3.896 0.000) 3.897 22.350 ( -0.091 -2.588 0.000) 2.589 22.729 ( 1.859 -3.444 0.000) 3.914 22.756 ( 0.347 -5.482 0.000) 5.493 22.807 ( -0.285 -3.585 0.000) 3.596 22.842 ( -0.542 -5.480 0.000) 5.507 22.979 ( -0.437 4.541 0.000) 4.562 23.037 ( -1.030 4.278 0.000) 4.401 23.048 ( 2.321 5.888 0.000) 6.329 23.108 ( 0.313 5.279 0.000) 5.288 23.317 ( 0.475 -0.883 0.000) 1.003 23.433 ( -3.689 -2.585 0.000) 4.504 23.529 ( 3.539 -1.738 0.000) 3.943 23.592 ( 4.446 -0.672 0.000) 4.496 23.854 ( 0.495 2.068 0.000) 2.126 23.883 ( -1.446 2.479 0.000) 2.871 23.901 ( -4.393 1.114 0.000) 4.532 24.003 ( -1.911 0.245 0.000) 1.926 24.304 ( 0.335 6.567 0.000) 6.576 24.351 ( -0.834 8.160 0.000) 8.202 24.949 ( 0.449 -2.918 0.000) 2.953 25.017 ( -1.413 -4.434 0.000) 4.653 25.303 ( 0.878 -3.042 0.000) 3.166 25.318 ( 0.486 -3.250 0.000) 3.286 25.419 ( 1.057 1.532 0.000) 1.862 25.439 ( 0.512 1.985 0.000) 2.050 25.499 ( -0.871 1.620 0.000) 1.840 25.509 ( -0.239 -0.042 0.000) 0.242 25.546 ( 2.036 -1.683 0.000) 2.641 25.723 ( -1.989 0.563 0.000) 2.067 25.796 ( 0.188 -2.112 0.000) 2.120 25.855 ( -1.926 2.332 0.000) 3.025 26.052 ( 2.771 -0.613 0.000) 2.838 26.115 ( -0.043 0.048 0.000) 0.064 26.265 ( 0.355 -1.586 0.000) 1.625 26.286 ( 0.373 -1.237 0.000) 1.292 26.341 ( 1.256 2.914 0.000) 3.173 26.376 ( 0.054 -3.016 0.000) 3.017 26.492 ( -0.804 2.029 0.000) 2.182 26.508 ( -1.490 -1.946 0.000) 2.450 26.514 ( -0.036 -0.702 0.000) 0.703 26.536 ( -0.280 -0.312 0.000) 0.420 26.713 ( 0.241 2.649 0.000) 2.660 26.734 ( -0.275 2.016 0.000) 2.034 26.849 ( 0.863 1.251 0.000) 1.520 26.914 ( -0.744 -0.372 0.000) 0.832 27.273 ( 1.081 1.065 0.000) 1.518 27.366 ( -1.452 -0.254 0.000) 1.474 27.380 ( 0.305 0.104 0.000) 0.322 27.394 ( 0.154 -0.548 0.000) 0.570 28.259 ( 0.142 -0.236 0.000) 0.276 28.297 ( -1.043 -0.833 0.000) 1.335 28.389 ( 0.257 -1.021 0.000) 1.053 28.394 ( 0.219 -2.341 0.000) 2.351 28.813 ( 0.640 0.094 0.000) 0.647 28.862 ( -0.745 -0.529 0.000) 0.914 28.907 ( 0.642 0.906 0.000) 1.110 28.953 ( -0.548 0.427 0.000) 0.695 29.185 ( 0.797 1.322 0.000) 1.544 29.210 ( 1.084 -0.596 0.000) 1.237 29.248 ( -0.735 -0.809 0.000) 1.093 29.283 ( -0.676 0.180 0.000) 0.699 29.703 ( 0.857 -0.995 0.000) 1.313 29.783 ( -1.094 -1.653 0.000) 1.982 29.966 ( 0.612 -3.026 0.000) 3.087 30.007 ( -0.413 -4.010 0.000) 4.031 ======================= Grid point 7 (6/60) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.888 ( 35.094 50.204 0.000) 61.254 2.959 ( 52.159 43.092 0.000) 67.657 3.343 ( -14.888 30.755 0.000) 34.169 3.851 ( -25.985 20.502 0.000) 33.099 3.979 ( -8.778 11.749 0.000) 14.666 4.041 ( -2.495 3.063 0.000) 3.950 4.399 ( 18.811 15.463 0.000) 24.351 4.755 ( -25.465 30.464 0.000) 39.705 4.825 ( 71.797 44.794 0.000) 84.624 6.376 ( -78.641 11.671 0.000) 79.502 6.675 ( 3.634 -2.240 0.000) 4.269 6.783 ( -11.420 -1.566 0.000) 11.527 7.239 ( 9.129 -5.568 0.000) 10.693 7.337 ( -2.671 -3.604 0.000) 4.486 7.766 ( 11.683 20.877 0.000) 23.924 8.030 ( -17.192 18.080 0.000) 24.949 8.141 ( 4.026 -12.198 0.000) 12.845 8.211 ( -4.278 -18.423 0.000) 18.913 8.450 ( 10.122 -9.008 0.000) 13.550 8.705 ( -15.912 -3.869 0.000) 16.376 8.814 ( 19.229 1.941 0.000) 19.326 8.908 ( 5.751 5.041 0.000) 7.648 8.976 ( 19.391 7.097 0.000) 20.649 8.999 ( 1.851 2.446 0.000) 3.068 9.074 ( -4.875 7.072 0.000) 8.589 9.390 ( -10.245 3.928 0.000) 10.972 9.559 ( 1.460 12.664 0.000) 12.748 9.584 ( -3.676 15.487 0.000) 15.917 9.676 ( -7.659 7.321 0.000) 10.595 9.766 ( -7.052 9.176 0.000) 11.573 10.041 ( 5.843 13.524 0.000) 14.732 10.071 ( 13.991 17.801 0.000) 22.641 10.103 ( -1.480 6.588 0.000) 6.752 10.351 ( -14.648 17.536 0.000) 22.849 10.601 ( 2.674 4.869 0.000) 5.555 10.745 ( -11.454 5.264 0.000) 12.606 11.165 ( 0.323 6.165 0.000) 6.174 11.204 ( 21.370 4.788 0.000) 21.900 11.218 ( -3.683 -1.149 0.000) 3.858 11.578 ( -13.713 -5.338 0.000) 14.715 11.890 ( -2.917 2.124 0.000) 3.608 11.919 ( -11.602 9.647 0.000) 15.089 12.383 ( 11.166 -5.437 0.000) 12.420 12.473 ( 1.864 -7.098 0.000) 7.338 12.819 ( 8.587 -3.843 0.000) 9.408 12.914 ( 18.786 -15.887 0.000) 24.603 13.091 ( 7.966 -8.081 0.000) 11.347 13.218 ( 1.265 -16.893 0.000) 16.941 13.291 ( -6.318 -8.635 0.000) 10.700 13.443 ( -8.134 -10.939 0.000) 13.631 13.512 ( 4.477 -8.424 0.000) 9.540 13.678 ( -14.998 -13.647 0.000) 20.277 14.097 ( -0.854 -15.107 0.000) 15.131 14.111 ( -0.309 -14.274 0.000) 14.278 14.219 ( 7.894 -14.083 0.000) 16.145 14.330 ( -4.201 -11.419 0.000) 12.167 14.642 ( 2.312 5.322 0.000) 5.802 14.682 ( -2.206 11.133 0.000) 11.349 14.793 ( 7.985 3.706 0.000) 8.803 14.982 ( -11.261 2.616 0.000) 11.561 15.756 ( 3.923 -4.570 0.000) 6.023 15.822 ( -1.827 -7.306 0.000) 7.531 16.131 ( 12.736 5.648 0.000) 13.932 16.157 ( 5.649 2.682 0.000) 6.253 16.229 ( -1.094 2.919 0.000) 3.117 16.301 ( 8.904 -1.524 0.000) 9.034 16.352 ( -10.651 5.075 0.000) 11.798 16.370 ( 3.027 8.684 0.000) 9.197 16.465 ( -4.168 5.790 0.000) 7.134 16.466 ( -5.699 -8.030 0.000) 9.847 16.920 ( 2.125 -3.268 0.000) 3.899 16.995 ( -3.778 0.552 0.000) 3.818 17.135 ( -1.946 1.392 0.000) 2.393 17.192 ( -5.937 4.825 0.000) 7.650 17.484 ( 1.756 -7.059 0.000) 7.274 17.511 ( -0.954 -7.192 0.000) 7.255 17.786 ( 0.766 17.846 0.000) 17.862 17.811 ( -1.928 17.712 0.000) 17.817 17.876 ( 1.592 -5.568 0.000) 5.791 17.906 ( -1.607 -6.424 0.000) 6.622 18.302 ( 5.209 -2.827 0.000) 5.926 18.397 ( -4.825 -4.432 0.000) 6.552 18.648 ( 0.599 4.301 0.000) 4.342 18.655 ( -0.254 5.137 0.000) 5.143 18.793 ( 2.452 4.056 0.000) 4.739 18.845 ( -2.923 3.670 0.000) 4.692 19.095 ( 2.429 2.085 0.000) 3.201 19.132 ( -1.436 1.590 0.000) 2.142 19.959 ( 3.083 -1.871 0.000) 3.606 20.003 ( -1.552 -2.334 0.000) 2.804 20.250 ( 1.574 -3.467 0.000) 3.808 20.276 ( -1.231 -1.890 0.000) 2.256 20.315 ( 3.641 -3.300 0.000) 4.914 20.386 ( -3.980 -3.222 0.000) 5.121 20.856 ( 2.628 -10.941 0.000) 11.253 20.889 ( 0.021 -6.044 0.000) 6.044 20.943 ( 0.383 -4.491 0.000) 4.507 20.976 ( -2.660 -3.477 0.000) 4.378 21.035 ( -0.202 -8.483 0.000) 8.485 21.041 ( -0.648 -5.229 0.000) 5.269 21.183 ( 3.163 -0.971 0.000) 3.309 21.224 ( -0.736 -0.136 0.000) 0.748 21.282 ( 2.789 4.530 0.000) 5.320 21.298 ( 1.908 -2.516 0.000) 3.158 21.336 ( -0.862 3.045 0.000) 3.165 21.369 ( -4.009 0.075 0.000) 4.010 21.432 ( 2.994 4.338 0.000) 5.271 21.498 ( -3.796 1.278 0.000) 4.005 21.740 ( 1.629 6.016 0.000) 6.233 21.763 ( -1.052 5.114 0.000) 5.221 21.868 ( 1.359 -1.336 0.000) 1.905 21.917 ( -3.625 -1.964 0.000) 4.123 21.971 ( 4.126 -0.165 0.000) 4.129 22.042 ( -3.264 -1.262 0.000) 3.499 22.323 ( 0.707 -3.449 0.000) 3.521 22.339 ( -0.932 -2.960 0.000) 3.103 22.761 ( 1.130 -4.483 0.000) 4.623 22.764 ( 0.437 -5.179 0.000) 5.197 22.805 ( 0.450 -3.350 0.000) 3.380 22.825 ( -1.268 -4.041 0.000) 4.235 22.988 ( 1.185 3.734 0.000) 3.918 23.014 ( -1.425 3.641 0.000) 3.909 23.087 ( 1.769 5.980 0.000) 6.236 23.108 ( -0.500 5.920 0.000) 5.941 23.335 ( 1.577 -1.721 0.000) 2.335 23.374 ( -2.718 -2.462 0.000) 3.667 23.610 ( 4.800 -2.721 0.000) 5.517 23.655 ( 1.341 -2.502 0.000) 2.839 23.817 ( -3.299 3.513 0.000) 4.819 23.823 ( -2.704 4.336 0.000) 5.110 23.901 ( 2.621 0.862 0.000) 2.759 23.955 ( -3.099 0.683 0.000) 3.174 24.315 ( 0.801 7.071 0.000) 7.116 24.332 ( -1.107 7.695 0.000) 7.775 24.963 ( 1.075 -3.293 0.000) 3.464 24.988 ( -1.630 -3.848 0.000) 4.179 25.319 ( 0.699 -3.284 0.000) 3.357 25.324 ( 0.092 -3.367 0.000) 3.368 25.445 ( 1.619 1.500 0.000) 2.207 25.452 ( 0.815 1.844 0.000) 2.016 25.480 ( -1.025 1.729 0.000) 2.010 25.486 ( -1.669 1.494 0.000) 2.239 25.605 ( 3.792 -3.386 0.000) 5.083 25.673 ( -3.450 -2.708 0.000) 4.386 25.803 ( 0.649 1.636 0.000) 1.760 25.823 ( -1.489 2.471 0.000) 2.885 26.097 ( 1.747 -0.655 0.000) 1.866 26.113 ( -0.250 -0.429 0.000) 0.496 26.275 ( 0.770 -1.205 0.000) 1.430 26.287 ( -0.338 -1.292 0.000) 1.335 26.366 ( 1.224 0.927 0.000) 1.535 26.377 ( -0.045 -2.176 0.000) 2.176 26.476 ( -0.652 1.588 0.000) 1.716 26.480 ( -1.178 -0.575 0.000) 1.311 26.519 ( 0.487 -0.600 0.000) 0.773 26.529 ( -0.507 -0.507 0.000) 0.717 26.719 ( 0.401 2.467 0.000) 2.499 26.727 ( -0.422 2.224 0.000) 2.264 26.871 ( 1.352 0.716 0.000) 1.529 26.895 ( -1.255 0.104 0.000) 1.259 27.300 ( 1.804 0.656 0.000) 1.920 27.335 ( -1.916 0.168 0.000) 1.924 27.387 ( 0.410 -0.145 0.000) 0.435 27.393 ( -0.244 -0.404 0.000) 0.472 28.264 ( 0.522 -0.413 0.000) 0.665 28.278 ( -0.958 -0.645 0.000) 1.155 28.394 ( 0.238 -1.419 0.000) 1.439 28.397 ( 0.020 -1.913 0.000) 1.913 28.827 ( 0.873 -0.113 0.000) 0.881 28.845 ( -1.040 -0.338 0.000) 1.094 28.922 ( 0.957 0.789 0.000) 1.241 28.940 ( -0.898 0.610 0.000) 1.086 29.205 ( 1.328 0.371 0.000) 1.378 29.230 ( -1.266 -0.388 0.000) 1.324 29.235 ( 1.545 -0.078 0.000) 1.547 29.263 ( -1.405 0.163 0.000) 1.414 29.726 ( 1.574 -1.233 0.000) 2.000 29.757 ( -1.681 -1.494 0.000) 2.249 29.980 ( 0.900 -3.297 0.000) 3.418 29.996 ( -0.779 -3.669 0.000) 3.750 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( 0.000 64.111 0.000) 64.111 3.214 ( 0.000 72.862 0.000) 72.862 3.806 ( 0.000 11.106 0.000) 11.106 4.137 ( 0.000 1.983 0.000) 1.983 4.160 ( 0.000 11.921 0.000) 11.921 4.193 ( 0.000 41.265 0.000) 41.265 5.293 ( 0.000 50.961 0.000) 50.961 5.690 ( 0.000 38.173 0.000) 38.173 6.637 ( 0.000 60.674 0.000) 60.674 6.723 ( 0.000 10.414 0.000) 10.414 6.740 ( 0.000 -1.711 0.000) 1.711 6.861 ( 0.000 -3.267 0.000) 3.267 7.579 ( 0.000 8.280 0.000) 8.280 7.650 ( 0.000 -20.028 0.000) 20.028 7.759 ( 0.000 -10.326 0.000) 10.326 7.955 ( 0.000 1.593 0.000) 1.593 8.085 ( 0.000 -12.470 0.000) 12.470 8.122 ( 0.000 25.587 0.000) 25.587 8.190 ( 0.000 -29.656 0.000) 29.656 8.336 ( 0.000 11.432 0.000) 11.432 8.805 ( 0.000 6.585 0.000) 6.585 9.218 ( 0.000 -1.726 0.000) 1.726 9.221 ( 0.000 22.684 0.000) 22.684 9.225 ( 0.000 15.769 0.000) 15.769 9.313 ( 0.000 9.951 0.000) 9.951 9.362 ( 0.000 -0.728 0.000) 0.728 9.641 ( 0.000 -0.899 0.000) 0.899 9.879 ( 0.000 13.946 0.000) 13.946 10.116 ( 0.000 6.197 0.000) 6.197 10.254 ( 0.000 29.628 0.000) 29.628 10.360 ( 0.000 10.223 0.000) 10.223 10.429 ( 0.000 18.420 0.000) 18.420 10.705 ( 0.000 15.441 0.000) 15.441 10.716 ( 0.000 1.488 0.000) 1.488 10.763 ( 0.000 2.645 0.000) 2.645 10.992 ( 0.000 6.225 0.000) 6.225 11.004 ( 0.000 40.096 0.000) 40.096 11.275 ( 0.000 5.101 0.000) 5.101 11.425 ( 0.000 -11.661 0.000) 11.661 11.519 ( 0.000 3.356 0.000) 3.356 11.687 ( 0.000 -0.942 0.000) 0.942 11.814 ( 0.000 19.644 0.000) 19.644 11.963 ( 0.000 -18.375 0.000) 18.375 12.254 ( 0.000 -6.837 0.000) 6.837 12.538 ( 0.000 -11.175 0.000) 11.175 12.635 ( 0.000 -7.596 0.000) 7.596 12.719 ( 0.000 -26.942 0.000) 26.942 12.735 ( 0.000 -20.270 0.000) 20.270 12.751 ( 0.000 -18.397 0.000) 18.397 13.349 ( 0.000 -21.768 0.000) 21.768 13.360 ( 0.000 -5.262 0.000) 5.262 13.558 ( 0.000 -19.286 0.000) 19.286 13.751 ( 0.000 -3.776 0.000) 3.776 13.942 ( 0.000 -25.439 0.000) 25.439 13.995 ( 0.000 -16.965 0.000) 16.965 14.053 ( 0.000 -0.884 0.000) 0.884 14.599 ( 0.000 -4.764 0.000) 4.764 14.782 ( 0.000 5.902 0.000) 5.902 15.013 ( 0.000 12.297 0.000) 12.297 15.382 ( 0.000 3.072 0.000) 3.072 15.557 ( 0.000 -4.403 0.000) 4.403 15.627 ( 0.000 -0.970 0.000) 0.970 15.967 ( 0.000 -4.519 0.000) 4.519 15.994 ( 0.000 9.388 0.000) 9.388 16.200 ( 0.000 -3.144 0.000) 3.144 16.254 ( 0.000 12.393 0.000) 12.393 16.371 ( 0.000 0.404 0.000) 0.404 16.592 ( 0.000 8.014 0.000) 8.014 16.654 ( 0.000 3.816 0.000) 3.816 16.705 ( 0.000 8.421 0.000) 8.421 16.893 ( 0.000 2.512 0.000) 2.512 17.184 ( 0.000 -14.501 0.000) 14.501 17.193 ( 0.000 -8.862 0.000) 8.862 17.250 ( 0.000 11.623 0.000) 11.623 17.254 ( 0.000 -11.358 0.000) 11.358 17.361 ( 0.000 -2.702 0.000) 2.702 17.704 ( 0.000 -8.279 0.000) 8.279 17.716 ( 0.000 -12.879 0.000) 12.879 18.112 ( 0.000 -5.584 0.000) 5.584 18.245 ( 0.000 -14.042 0.000) 14.042 18.249 ( 0.000 24.280 0.000) 24.280 18.339 ( 0.000 22.113 0.000) 22.113 18.805 ( 0.000 15.319 0.000) 15.319 18.850 ( 0.000 12.218 0.000) 12.218 18.864 ( 0.000 3.966 0.000) 3.966 18.985 ( 0.000 2.407 0.000) 2.407 19.115 ( 0.000 5.854 0.000) 5.854 19.202 ( 0.000 4.218 0.000) 4.218 19.866 ( 0.000 -0.601 0.000) 0.601 19.925 ( 0.000 -6.499 0.000) 6.499 20.064 ( 0.000 -9.383 0.000) 9.383 20.140 ( 0.000 -4.763 0.000) 4.763 20.270 ( 0.000 -2.771 0.000) 2.771 20.421 ( 0.000 -2.831 0.000) 2.831 20.475 ( 0.000 -17.947 0.000) 17.947 20.759 ( 0.000 -11.719 0.000) 11.719 20.809 ( 0.000 -3.615 0.000) 3.615 20.875 ( 0.000 -8.176 0.000) 8.176 20.923 ( 0.000 -7.902 0.000) 7.902 20.961 ( 0.000 -6.625 0.000) 6.625 21.035 ( 0.000 -3.259 0.000) 3.259 21.180 ( 0.000 -4.401 0.000) 4.401 21.227 ( 0.000 2.831 0.000) 2.831 21.386 ( 0.000 6.564 0.000) 6.564 21.387 ( 0.000 6.715 0.000) 6.715 21.487 ( 0.000 1.927 0.000) 1.927 21.522 ( 0.000 4.339 0.000) 4.339 21.573 ( 0.000 0.678 0.000) 0.678 21.711 ( 0.000 -0.493 0.000) 0.493 21.853 ( 0.000 -0.533 0.000) 0.533 21.894 ( 0.000 2.836 0.000) 2.836 21.970 ( 0.000 -0.859 0.000) 0.859 21.977 ( 0.000 6.498 0.000) 6.498 22.013 ( 0.000 -5.540 0.000) 5.540 22.218 ( 0.000 -5.188 0.000) 5.188 22.286 ( 0.000 -3.537 0.000) 3.537 22.620 ( 0.000 -4.877 0.000) 4.877 22.657 ( 0.000 -3.844 0.000) 3.844 22.686 ( 0.000 -8.264 0.000) 8.264 22.735 ( 0.000 -3.521 0.000) 3.521 23.105 ( 0.000 5.659 0.000) 5.659 23.128 ( 0.000 4.662 0.000) 4.662 23.174 ( 0.000 6.846 0.000) 6.846 23.195 ( 0.000 3.914 0.000) 3.914 23.311 ( 0.000 0.520 0.000) 0.520 23.390 ( 0.000 -4.182 0.000) 4.182 23.461 ( 0.000 -1.817 0.000) 1.817 23.561 ( 0.000 1.035 0.000) 1.035 23.886 ( 0.000 2.622 0.000) 2.622 23.971 ( 0.000 3.319 0.000) 3.319 23.977 ( 0.000 2.563 0.000) 2.563 24.063 ( 0.000 3.439 0.000) 3.439 24.454 ( 0.000 7.821 0.000) 7.821 24.514 ( 0.000 6.261 0.000) 6.261 24.871 ( 0.000 -4.254 0.000) 4.254 24.915 ( 0.000 -6.204 0.000) 6.204 25.224 ( 0.000 -3.460 0.000) 3.460 25.250 ( 0.000 -2.247 0.000) 2.247 25.412 ( 0.000 -5.099 0.000) 5.099 25.448 ( 0.000 2.041 0.000) 2.041 25.484 ( 0.000 2.673 0.000) 2.673 25.533 ( 0.000 0.835 0.000) 0.835 25.578 ( 0.000 1.618 0.000) 1.618 25.646 ( 0.000 -7.945 0.000) 7.945 25.864 ( 0.000 7.373 0.000) 7.373 25.942 ( 0.000 3.667 0.000) 3.667 26.008 ( 0.000 -0.488 0.000) 0.488 26.131 ( 0.000 1.263 0.000) 1.263 26.209 ( 0.000 -2.967 0.000) 2.967 26.252 ( 0.000 -1.493 0.000) 1.493 26.315 ( 0.000 -2.937 0.000) 2.937 26.387 ( 0.000 1.225 0.000) 1.225 26.463 ( 0.000 -2.864 0.000) 2.864 26.490 ( 0.000 -0.970 0.000) 0.970 26.520 ( 0.000 -1.644 0.000) 1.644 26.528 ( 0.000 0.616 0.000) 0.616 26.786 ( 0.000 4.315 0.000) 4.315 26.788 ( 0.000 2.891 0.000) 2.891 26.873 ( 0.000 1.400 0.000) 1.400 26.917 ( 0.000 0.371 0.000) 0.371 27.298 ( 0.000 2.070 0.000) 2.070 27.366 ( 0.000 -1.316 0.000) 1.316 27.372 ( 0.000 -1.034 0.000) 1.034 27.382 ( 0.000 0.258 0.000) 0.258 28.257 ( 0.000 0.217 0.000) 0.217 28.278 ( 0.000 -1.780 0.000) 1.780 28.327 ( 0.000 -3.450 0.000) 3.450 28.362 ( 0.000 -1.524 0.000) 1.524 28.817 ( 0.000 0.665 0.000) 0.665 28.854 ( 0.000 -0.685 0.000) 0.685 28.914 ( 0.000 -0.077 0.000) 0.077 28.952 ( 0.000 -1.311 0.000) 1.311 29.197 ( 0.000 1.351 0.000) 1.351 29.233 ( 0.000 3.318 0.000) 3.318 29.247 ( 0.000 0.578 0.000) 0.578 29.299 ( 0.000 0.715 0.000) 0.715 29.669 ( 0.000 -1.461 0.000) 1.461 29.743 ( 0.000 -3.089 0.000) 3.089 29.877 ( 0.000 -4.995 0.000) 4.995 29.893 ( 0.000 -6.992 0.000) 6.992 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.127 ( 34.507 48.737 0.000) 59.716 3.442 ( 23.721 66.784 0.000) 70.871 3.813 ( 0.855 12.327 0.000) 12.356 4.010 ( -5.686 17.609 0.000) 18.504 4.133 ( -0.441 2.433 0.000) 2.473 4.435 ( 13.477 18.247 0.000) 22.685 5.347 ( -15.033 47.919 0.000) 50.221 5.488 ( 6.600 59.840 0.000) 60.202 6.253 ( -36.726 45.678 0.000) 58.612 6.651 ( -1.866 3.696 0.000) 4.140 6.782 ( -7.980 -3.337 0.000) 8.649 6.954 ( 13.968 2.748 0.000) 14.236 7.356 ( -13.022 -3.734 0.000) 13.547 7.692 ( -7.068 4.860 0.000) 8.578 7.811 ( -0.011 -4.932 0.000) 4.932 7.890 ( -10.281 -20.965 0.000) 23.350 8.060 ( 9.332 -6.154 0.000) 11.178 8.136 ( 2.970 26.429 0.000) 26.595 8.404 ( 11.083 -22.568 0.000) 25.143 8.511 ( 16.418 12.423 0.000) 20.588 8.817 ( -8.116 15.799 0.000) 17.762 8.881 ( -10.037 6.520 0.000) 11.968 9.049 ( -9.628 5.344 0.000) 11.012 9.115 ( -8.569 1.004 0.000) 8.628 9.424 ( 2.039 12.092 0.000) 12.263 9.610 ( 14.885 13.307 0.000) 19.966 9.722 ( 6.161 0.466 0.000) 6.178 9.821 ( -7.239 11.635 0.000) 13.703 10.038 ( -6.415 9.760 0.000) 11.679 10.237 ( -2.790 29.042 0.000) 29.175 10.352 ( -2.369 11.514 0.000) 11.755 10.429 ( -16.002 16.938 0.000) 23.301 10.489 ( -0.315 21.776 0.000) 21.778 10.697 ( 5.759 7.864 0.000) 9.747 10.779 ( 1.032 16.715 0.000) 16.747 10.935 ( 9.571 10.485 0.000) 14.197 11.197 ( -2.861 1.468 0.000) 3.216 11.209 ( -0.769 15.853 0.000) 15.871 11.530 ( 5.192 -5.687 0.000) 7.700 11.564 ( 0.169 11.162 0.000) 11.163 11.802 ( 2.837 4.830 0.000) 5.602 11.978 ( 18.892 -7.562 0.000) 20.349 12.054 ( 18.095 -12.039 0.000) 21.734 12.182 ( -5.791 -7.543 0.000) 9.509 12.445 ( -7.154 -2.033 0.000) 7.438 12.680 ( -2.990 -18.916 0.000) 19.151 12.717 ( 6.899 -12.278 0.000) 14.084 12.747 ( 2.495 -17.930 0.000) 18.103 12.959 ( 16.045 -21.720 0.000) 27.004 13.310 ( -4.376 -16.783 0.000) 17.344 13.368 ( -2.575 -15.537 0.000) 15.749 13.468 ( -25.157 -10.484 0.000) 27.255 13.641 ( 9.952 -19.870 0.000) 22.223 13.852 ( -4.755 -17.044 0.000) 17.695 13.913 ( -7.713 -16.977 0.000) 18.647 14.166 ( 1.774 -8.095 0.000) 8.287 14.585 ( 1.856 -2.908 0.000) 3.450 14.829 ( 4.151 6.663 0.000) 7.851 14.999 ( -1.613 12.549 0.000) 12.653 15.224 ( -11.690 2.064 0.000) 11.870 15.645 ( 1.778 -1.526 0.000) 2.343 15.662 ( 5.635 -4.441 0.000) 7.175 16.023 ( 5.691 -5.205 0.000) 7.712 16.076 ( 8.233 8.191 0.000) 11.613 16.229 ( 3.028 -3.936 0.000) 4.966 16.272 ( 1.980 11.573 0.000) 11.741 16.355 ( -1.873 0.354 0.000) 1.907 16.579 ( -1.589 7.180 0.000) 7.353 16.592 ( -5.900 3.556 0.000) 6.888 16.685 ( -3.275 6.434 0.000) 7.220 16.894 ( 0.543 3.883 0.000) 3.920 17.095 ( -6.500 -6.102 0.000) 8.915 17.172 ( -1.119 -13.178 0.000) 13.225 17.215 ( -2.666 5.714 0.000) 6.305 17.324 ( 3.351 -6.214 0.000) 7.060 17.365 ( 0.356 -2.018 0.000) 2.049 17.710 ( 0.577 -8.444 0.000) 8.464 17.724 ( 0.602 -11.886 0.000) 11.901 18.121 ( 0.871 -3.646 0.000) 3.748 18.206 ( -3.066 -4.248 0.000) 5.239 18.259 ( 1.291 21.575 0.000) 21.614 18.357 ( 0.772 13.531 0.000) 13.553 18.797 ( -0.659 10.951 0.000) 10.970 18.836 ( -1.328 10.724 0.000) 10.806 18.880 ( 1.598 7.976 0.000) 8.134 18.974 ( -1.146 4.257 0.000) 4.409 19.131 ( 1.564 5.433 0.000) 5.654 19.201 ( -0.173 4.204 0.000) 4.208 19.879 ( 1.358 -1.396 0.000) 1.948 19.930 ( 0.392 -6.173 0.000) 6.186 20.090 ( 2.756 -8.069 0.000) 8.526 20.165 ( 2.415 -5.292 0.000) 5.817 20.257 ( -1.457 -3.069 0.000) 3.398 20.383 ( -3.841 -3.510 0.000) 5.203 20.497 ( 2.441 -17.404 0.000) 17.574 20.736 ( -2.478 -11.790 0.000) 12.047 20.819 ( -0.040 -6.379 0.000) 6.379 20.860 ( -0.133 -6.931 0.000) 6.933 20.899 ( -2.416 -7.928 0.000) 8.288 20.951 ( -1.018 -6.625 0.000) 6.702 21.075 ( 3.907 -2.443 0.000) 4.607 21.196 ( 1.881 -3.618 0.000) 4.078 21.231 ( 0.081 1.685 0.000) 1.687 21.381 ( -1.083 4.388 0.000) 4.520 21.388 ( 0.241 4.493 0.000) 4.500 21.453 ( -3.011 2.393 0.000) 3.846 21.542 ( 1.663 6.423 0.000) 6.635 21.575 ( -0.006 2.447 0.000) 2.447 21.727 ( 2.004 -0.876 0.000) 2.187 21.833 ( -0.845 0.192 0.000) 0.867 21.918 ( -0.069 -1.356 0.000) 1.357 21.933 ( -3.271 1.396 0.000) 3.556 21.962 ( 0.664 3.159 0.000) 3.228 22.038 ( 1.188 -0.003 0.000) 1.188 22.222 ( 0.500 -4.836 0.000) 4.862 22.282 ( -0.552 -3.735 0.000) 3.776 22.632 ( 1.082 -5.250 0.000) 5.360 22.650 ( -0.266 -5.233 0.000) 5.240 22.705 ( 1.369 -6.364 0.000) 6.510 22.733 ( -0.175 -3.457 0.000) 3.461 23.087 ( -0.803 5.451 0.000) 5.510 23.146 ( -1.958 5.541 0.000) 5.877 23.161 ( 2.436 4.868 0.000) 5.443 23.217 ( 1.209 5.194 0.000) 5.333 23.309 ( -0.180 0.271 0.000) 0.326 23.362 ( -2.462 -3.238 0.000) 4.068 23.487 ( 2.653 -2.320 0.000) 3.525 23.585 ( 1.885 -0.682 0.000) 2.004 23.903 ( 1.839 2.936 0.000) 3.464 23.947 ( -2.717 3.479 0.000) 4.414 23.956 ( -1.612 3.792 0.000) 4.121 24.050 ( -1.580 3.483 0.000) 3.825 24.457 ( 0.347 7.621 0.000) 7.629 24.507 ( -0.808 6.417 0.000) 6.467 24.872 ( 0.112 -4.413 0.000) 4.414 24.906 ( -0.829 -5.955 0.000) 6.012 25.232 ( 0.733 -3.446 0.000) 3.523 25.253 ( 0.221 -2.448 0.000) 2.458 25.434 ( 2.242 -5.261 0.000) 5.719 25.456 ( 0.875 1.918 0.000) 2.108 25.487 ( 0.325 2.461 0.000) 2.482 25.527 ( -0.652 0.983 0.000) 1.180 25.565 ( -1.321 1.429 0.000) 1.946 25.623 ( -2.364 -7.400 0.000) 7.769 25.874 ( 0.889 6.860 0.000) 6.917 25.922 ( -1.413 3.877 0.000) 4.127 26.041 ( 2.663 -0.361 0.000) 2.687 26.123 ( -0.759 0.832 0.000) 1.126 26.218 ( 0.916 -2.755 0.000) 2.903 26.255 ( 0.188 -1.570 0.000) 1.581 26.316 ( 0.233 -2.830 0.000) 2.840 26.383 ( -0.663 -0.073 0.000) 0.667 26.462 ( 0.130 -1.646 0.000) 1.651 26.490 ( 0.031 -1.018 0.000) 1.018 26.517 ( -0.314 -1.531 0.000) 1.563 26.522 ( -0.591 0.664 0.000) 0.889 26.786 ( 0.037 4.193 0.000) 4.193 26.788 ( -0.015 3.038 0.000) 3.038 26.878 ( 0.532 1.334 0.000) 1.437 26.914 ( -0.372 0.486 0.000) 0.612 27.303 ( 0.576 1.782 0.000) 1.873 27.356 ( -0.837 -0.740 0.000) 1.117 27.376 ( 0.237 -1.192 0.000) 1.215 27.382 ( -0.015 0.078 0.000) 0.079 28.256 ( -0.095 0.070 0.000) 0.118 28.271 ( -0.635 -1.534 0.000) 1.660 28.334 ( 0.646 -3.254 0.000) 3.318 28.360 ( -0.148 -1.723 0.000) 1.730 28.820 ( 0.248 0.487 0.000) 0.546 28.849 ( -0.523 -0.562 0.000) 0.768 28.918 ( 0.471 -0.197 0.000) 0.511 28.949 ( -0.324 -1.193 0.000) 1.236 29.202 ( 0.537 1.403 0.000) 1.502 29.241 ( 0.784 2.923 0.000) 3.026 29.243 ( -0.486 0.709 0.000) 0.860 29.294 ( -0.538 0.845 0.000) 1.002 29.675 ( 0.618 -1.615 0.000) 1.729 29.734 ( -0.918 -2.982 0.000) 3.120 29.880 ( 0.321 -5.150 0.000) 5.160 29.894 ( 0.014 -6.738 0.000) 6.738 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.724 ( 19.555 28.885 0.000) 34.882 3.815 ( 1.530 16.383 0.000) 16.454 3.977 ( 4.191 5.233 0.000) 6.704 3.998 ( 24.328 40.982 0.000) 47.659 4.137 ( 8.400 17.329 0.000) 19.257 4.738 ( 13.345 23.980 0.000) 27.443 4.754 ( -24.695 40.542 0.000) 47.471 5.464 ( -46.451 29.913 0.000) 55.250 6.068 ( 42.042 58.987 0.000) 72.436 6.598 ( -13.186 -1.203 0.000) 13.240 6.675 ( 6.432 10.423 0.000) 12.247 7.058 ( -28.178 23.914 0.000) 36.958 7.161 ( 8.383 0.669 0.000) 8.410 7.341 ( -17.873 19.523 0.000) 26.469 7.773 ( -2.383 -20.409 0.000) 20.547 7.776 ( -1.703 -17.357 0.000) 17.440 8.223 ( 10.849 9.391 0.000) 14.349 8.291 ( 11.050 -0.565 0.000) 11.064 8.459 ( -5.769 -19.747 0.000) 20.572 8.483 ( -17.095 19.164 0.000) 25.681 8.831 ( 15.529 7.019 0.000) 17.041 8.942 ( 3.829 2.288 0.000) 4.461 8.988 ( 0.377 -1.078 0.000) 1.142 9.005 ( -2.840 1.523 0.000) 3.222 9.449 ( 2.209 19.594 0.000) 19.718 9.587 ( -12.747 11.041 0.000) 16.863 9.811 ( 4.395 4.666 0.000) 6.410 9.852 ( 6.744 15.097 0.000) 16.535 9.941 ( -1.560 12.445 0.000) 12.542 10.081 ( -10.565 18.559 0.000) 21.355 10.284 ( -3.612 12.731 0.000) 13.233 10.285 ( -3.281 10.448 0.000) 10.951 10.569 ( 9.967 20.007 0.000) 22.352 10.767 ( -6.455 21.080 0.000) 22.047 10.911 ( 0.705 9.962 0.000) 9.987 10.911 ( 6.467 30.438 0.000) 31.118 11.198 ( 7.166 -0.442 0.000) 7.179 11.377 ( 7.703 12.727 0.000) 14.877 11.446 ( -9.997 22.442 0.000) 24.568 11.514 ( -4.500 -0.790 0.000) 4.569 11.921 ( 8.710 -0.859 0.000) 8.752 12.097 ( -4.401 2.473 0.000) 5.049 12.210 ( 9.612 -11.248 0.000) 14.796 12.316 ( -2.813 -3.719 0.000) 4.663 12.540 ( 21.492 -18.451 0.000) 28.326 12.674 ( 5.028 -17.865 0.000) 18.559 12.778 ( -3.274 -15.342 0.000) 15.687 12.869 ( 11.195 -12.824 0.000) 17.023 12.985 ( -23.537 -20.173 0.000) 30.999 13.166 ( -13.567 -14.678 0.000) 19.988 13.188 ( 7.172 -21.861 0.000) 23.008 13.266 ( -5.025 -25.119 0.000) 25.617 13.752 ( -1.693 -17.236 0.000) 17.319 13.769 ( -3.585 -17.374 0.000) 17.740 13.902 ( 10.770 -15.862 0.000) 19.173 14.089 ( -8.343 -11.783 0.000) 14.438 14.719 ( 11.780 0.868 0.000) 11.812 14.912 ( 4.769 7.997 0.000) 9.311 14.933 ( -7.846 11.165 0.000) 13.646 15.017 ( -9.033 1.684 0.000) 9.188 15.683 ( 2.155 -2.641 0.000) 3.408 15.709 ( -0.117 -4.090 0.000) 4.092 16.150 ( 7.467 -6.866 0.000) 10.144 16.258 ( 10.729 5.748 0.000) 12.172 16.261 ( -3.063 -9.609 0.000) 10.086 16.318 ( 2.333 8.898 0.000) 9.199 16.327 ( 1.201 5.879 0.000) 6.000 16.453 ( -9.365 3.917 0.000) 10.151 16.545 ( -1.048 5.145 0.000) 5.251 16.590 ( -5.649 2.668 0.000) 6.247 16.927 ( 3.055 5.549 0.000) 6.334 16.997 ( -4.440 1.704 0.000) 4.756 17.153 ( -0.538 -8.428 0.000) 8.445 17.166 ( -2.053 -0.539 0.000) 2.122 17.364 ( 1.146 -3.816 0.000) 3.984 17.371 ( 0.162 -1.920 0.000) 1.927 17.722 ( 0.684 -9.031 0.000) 9.057 17.730 ( -0.070 -10.208 0.000) 10.208 18.137 ( 0.831 0.668 0.000) 1.066 18.159 ( -1.849 1.038 0.000) 2.121 18.299 ( 2.867 15.032 0.000) 15.303 18.347 ( -1.886 11.321 0.000) 11.477 18.791 ( 0.294 8.024 0.000) 8.029 18.809 ( -1.471 8.407 0.000) 8.535 18.914 ( 1.924 9.573 0.000) 9.764 18.947 ( -1.694 7.592 0.000) 7.778 19.164 ( 1.836 4.800 0.000) 5.139 19.191 ( -1.015 4.383 0.000) 4.499 19.910 ( 1.736 -3.108 0.000) 3.560 19.931 ( -0.486 -4.975 0.000) 4.999 20.154 ( 3.835 -5.849 0.000) 6.994 20.217 ( -2.903 -4.078 0.000) 5.006 20.221 ( 3.704 -5.673 0.000) 6.775 20.299 ( -4.811 -4.865 0.000) 6.842 20.564 ( 4.850 -15.892 0.000) 16.615 20.662 ( -5.368 -13.893 0.000) 14.894 20.817 ( 0.836 -7.781 0.000) 7.825 20.850 ( -2.545 -7.975 0.000) 8.371 20.886 ( 2.130 -6.510 0.000) 6.849 20.924 ( -1.887 -6.738 0.000) 6.997 21.156 ( 4.363 -1.374 0.000) 4.575 21.216 ( -1.994 -0.186 0.000) 2.003 21.248 ( 3.786 -2.036 0.000) 4.299 21.328 ( -4.456 -0.482 0.000) 4.482 21.396 ( 0.657 3.053 0.000) 3.123 21.412 ( -1.259 3.971 0.000) 4.166 21.565 ( 0.722 7.283 0.000) 7.319 21.572 ( -0.236 5.378 0.000) 5.384 21.786 ( 4.180 -0.844 0.000) 4.265 21.836 ( 1.047 0.844 0.000) 1.345 21.868 ( -4.008 -2.297 0.000) 4.620 21.876 ( -2.780 0.009 0.000) 2.780 22.005 ( 2.712 3.993 0.000) 4.827 22.041 ( -0.986 2.499 0.000) 2.686 22.238 ( 1.277 -4.298 0.000) 4.484 22.264 ( -1.360 -3.971 0.000) 4.197 22.649 ( 0.560 -5.804 0.000) 5.831 22.651 ( 0.195 -5.767 0.000) 5.770 22.724 ( 0.637 -4.734 0.000) 4.777 22.730 ( -0.176 -3.642 0.000) 3.646 23.087 ( 0.806 5.215 0.000) 5.277 23.112 ( -1.725 5.155 0.000) 5.436 23.204 ( 2.031 5.096 0.000) 5.486 23.227 ( -0.318 5.529 0.000) 5.538 23.307 ( 0.151 -0.695 0.000) 0.711 23.322 ( -1.600 -2.189 0.000) 2.712 23.548 ( 3.702 -3.214 0.000) 4.902 23.598 ( -1.104 -3.056 0.000) 3.250 23.907 ( -0.877 5.119 0.000) 5.194 23.921 ( -1.837 4.773 0.000) 5.114 23.950 ( 3.045 3.524 0.000) 4.657 24.007 ( -2.972 3.623 0.000) 4.686 24.468 ( 0.885 7.202 0.000) 7.256 24.488 ( -1.161 6.777 0.000) 6.876 24.877 ( 0.472 -4.836 0.000) 4.859 24.889 ( -0.896 -5.405 0.000) 5.479 25.246 ( 0.719 -3.271 0.000) 3.349 25.254 ( -0.132 -2.881 0.000) 2.884 25.477 ( 1.235 1.295 0.000) 1.789 25.478 ( 1.728 -3.102 0.000) 3.551 25.498 ( 1.022 1.050 0.000) 1.465 25.513 ( -0.799 1.354 0.000) 1.573 25.541 ( -0.676 -0.435 0.000) 0.804 25.570 ( -3.032 -6.211 0.000) 6.912 25.889 ( 0.698 6.016 0.000) 6.056 25.902 ( -0.782 4.946 0.000) 5.007 26.084 ( 1.857 -0.413 0.000) 1.902 26.108 ( -0.903 0.047 0.000) 0.904 26.238 ( 1.113 -2.339 0.000) 2.591 26.253 ( -0.465 -1.923 0.000) 1.978 26.329 ( 1.239 -2.557 0.000) 2.842 26.359 ( -1.836 -1.937 0.000) 2.669 26.474 ( 1.003 -0.157 0.000) 1.015 26.489 ( -0.394 -0.808 0.000) 0.899 26.510 ( -0.457 0.289 0.000) 0.541 26.511 ( -0.333 -1.033 0.000) 1.085 26.787 ( 0.039 3.856 0.000) 3.856 26.787 ( -0.026 3.414 0.000) 3.414 26.891 ( 0.770 1.103 0.000) 1.345 26.904 ( -0.662 0.773 0.000) 1.018 27.318 ( 1.012 1.028 0.000) 1.442 27.338 ( -1.118 0.096 0.000) 1.122 27.380 ( 0.145 -0.902 0.000) 0.913 27.381 ( -0.061 -0.383 0.000) 0.388 28.255 ( 0.089 -0.351 0.000) 0.362 28.260 ( -0.466 -0.954 0.000) 1.062 28.346 ( 0.645 -2.803 0.000) 2.876 28.356 ( -0.397 -2.224 0.000) 2.260 28.826 ( 0.506 0.137 0.000) 0.524 28.838 ( -0.687 -0.246 0.000) 0.729 28.929 ( 0.661 -0.509 0.000) 0.834 28.941 ( -0.574 -0.887 0.000) 1.057 29.215 ( 0.846 1.328 0.000) 1.574 29.231 ( -0.809 1.027 0.000) 1.307 29.259 ( 1.152 2.106 0.000) 2.400 29.279 ( -1.021 1.330 0.000) 1.677 29.691 ( 1.119 -2.064 0.000) 2.347 29.713 ( -1.290 -2.611 0.000) 2.912 29.887 ( 0.388 -5.579 0.000) 5.592 29.892 ( -0.192 -6.171 0.000) 6.174 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.850 ( 0.000 33.640 0.000) 33.640 3.982 ( 0.000 7.365 0.000) 7.365 4.149 ( 0.000 -0.916 0.000) 0.916 4.396 ( 0.000 -3.801 0.000) 3.801 4.621 ( 0.000 39.225 0.000) 39.225 4.628 ( 0.000 63.223 0.000) 63.223 6.116 ( 0.000 -0.616 0.000) 0.616 6.446 ( 0.000 37.252 0.000) 37.252 6.639 ( 0.000 -26.678 0.000) 26.678 6.723 ( 0.000 0.204 0.000) 0.204 7.180 ( 0.000 -10.813 0.000) 10.813 7.269 ( 0.000 1.203 0.000) 1.203 7.318 ( 0.000 6.541 0.000) 6.541 7.708 ( 0.000 1.842 0.000) 1.842 7.737 ( 0.000 35.188 0.000) 35.188 7.795 ( 0.000 -16.686 0.000) 16.686 7.822 ( 0.000 3.755 0.000) 3.755 8.228 ( 0.000 27.148 0.000) 27.148 8.702 ( 0.000 19.087 0.000) 19.087 8.752 ( 0.000 32.663 0.000) 32.663 8.927 ( 0.000 5.619 0.000) 5.619 9.131 ( 0.000 -4.157 0.000) 4.157 9.303 ( 0.000 1.342 0.000) 1.342 9.525 ( 0.000 6.903 0.000) 6.903 9.546 ( 0.000 7.698 0.000) 7.698 9.590 ( 0.000 17.806 0.000) 17.806 9.612 ( 0.000 -2.577 0.000) 2.577 10.021 ( 0.000 -23.015 0.000) 23.015 10.319 ( 0.000 14.053 0.000) 14.053 10.379 ( 0.000 19.044 0.000) 19.044 10.470 ( 0.000 -9.568 0.000) 9.568 10.731 ( 0.000 7.885 0.000) 7.885 10.801 ( 0.000 4.979 0.000) 4.979 10.811 ( 0.000 7.722 0.000) 7.722 11.026 ( 0.000 -0.046 0.000) 0.046 11.271 ( 0.000 4.010 0.000) 4.010 11.361 ( 0.000 17.347 0.000) 17.347 11.418 ( 0.000 -13.765 0.000) 13.765 11.472 ( 0.000 10.997 0.000) 10.997 11.540 ( 0.000 0.156 0.000) 0.156 11.842 ( 0.000 10.225 0.000) 10.225 11.866 ( 0.000 17.043 0.000) 17.043 11.868 ( 0.000 -21.756 0.000) 21.756 12.114 ( 0.000 -9.788 0.000) 9.788 12.316 ( 0.000 -1.429 0.000) 1.429 12.342 ( 0.000 -18.699 0.000) 18.699 12.407 ( 0.000 -11.004 0.000) 11.004 12.462 ( 0.000 2.629 0.000) 2.629 12.490 ( 0.000 14.325 0.000) 14.325 13.048 ( 0.000 -3.911 0.000) 3.911 13.150 ( 0.000 -19.444 0.000) 19.444 13.315 ( 0.000 -29.282 0.000) 29.282 13.343 ( 0.000 -1.037 0.000) 1.037 13.599 ( 0.000 -21.483 0.000) 21.483 13.697 ( 0.000 -3.548 0.000) 3.548 13.957 ( 0.000 -8.048 0.000) 8.048 14.530 ( 0.000 -1.276 0.000) 1.276 14.774 ( 0.000 -7.258 0.000) 7.258 15.197 ( 0.000 5.576 0.000) 5.576 15.449 ( 0.000 -6.475 0.000) 6.475 15.484 ( 0.000 7.743 0.000) 7.743 15.703 ( 0.000 8.832 0.000) 8.832 15.847 ( 0.000 -7.166 0.000) 7.166 16.092 ( 0.000 -5.981 0.000) 5.981 16.183 ( 0.000 7.863 0.000) 7.863 16.343 ( 0.000 -3.953 0.000) 3.953 16.541 ( 0.000 13.345 0.000) 13.345 16.714 ( 0.000 1.634 0.000) 1.634 16.745 ( 0.000 6.275 0.000) 6.275 16.878 ( 0.000 8.708 0.000) 8.708 16.906 ( 0.000 -10.730 0.000) 10.730 17.024 ( 0.000 -5.931 0.000) 5.931 17.057 ( 0.000 -7.102 0.000) 7.102 17.070 ( 0.000 11.316 0.000) 11.316 17.328 ( 0.000 2.862 0.000) 2.862 17.429 ( 0.000 -14.771 0.000) 14.771 17.498 ( 0.000 12.375 0.000) 12.375 17.510 ( 0.000 -10.531 0.000) 10.531 17.920 ( 0.000 -17.280 0.000) 17.280 17.963 ( 0.000 -8.942 0.000) 8.942 18.678 ( 0.000 11.725 0.000) 11.725 18.681 ( 0.000 16.115 0.000) 16.115 18.910 ( 0.000 0.114 0.000) 0.114 18.993 ( 0.000 -1.708 0.000) 1.708 19.163 ( 0.000 17.826 0.000) 17.826 19.207 ( 0.000 16.432 0.000) 16.432 19.324 ( 0.000 19.533 0.000) 19.533 19.333 ( 0.000 9.202 0.000) 9.202 19.737 ( 0.000 -11.671 0.000) 11.671 19.803 ( 0.000 -10.026 0.000) 10.026 19.848 ( 0.000 -9.323 0.000) 9.323 20.060 ( 0.000 -2.665 0.000) 2.665 20.145 ( 0.000 -11.576 0.000) 11.576 20.149 ( 0.000 -10.410 0.000) 10.410 20.382 ( 0.000 -0.449 0.000) 0.449 20.551 ( 0.000 -8.090 0.000) 8.090 20.700 ( 0.000 -7.322 0.000) 7.322 20.714 ( 0.000 -4.853 0.000) 4.853 20.764 ( 0.000 -6.498 0.000) 6.498 20.804 ( 0.000 -7.642 0.000) 7.642 21.003 ( 0.000 -0.062 0.000) 0.062 21.091 ( 0.000 -4.055 0.000) 4.055 21.293 ( 0.000 3.504 0.000) 3.504 21.418 ( 0.000 -1.608 0.000) 1.608 21.538 ( 0.000 7.837 0.000) 7.837 21.589 ( 0.000 5.222 0.000) 5.222 21.601 ( 0.000 4.298 0.000) 4.298 21.606 ( 0.000 2.214 0.000) 2.214 21.729 ( 0.000 0.928 0.000) 0.928 21.837 ( 0.000 -0.900 0.000) 0.900 21.863 ( 0.000 -2.965 0.000) 2.965 21.876 ( 0.000 -7.445 0.000) 7.445 22.041 ( 0.000 4.959 0.000) 4.959 22.055 ( 0.000 0.948 0.000) 0.948 22.123 ( 0.000 -3.857 0.000) 3.857 22.211 ( 0.000 -3.672 0.000) 3.672 22.554 ( 0.000 -3.782 0.000) 3.782 22.557 ( 0.000 -0.362 0.000) 0.362 22.587 ( 0.000 -3.140 0.000) 3.140 22.664 ( 0.000 -3.419 0.000) 3.419 23.204 ( 0.000 3.502 0.000) 3.502 23.205 ( 0.000 2.757 0.000) 2.757 23.257 ( 0.000 2.130 0.000) 2.130 23.290 ( 0.000 2.243 0.000) 2.243 23.333 ( 0.000 1.572 0.000) 1.572 23.359 ( 0.000 2.900 0.000) 2.900 23.421 ( 0.000 -2.106 0.000) 2.106 23.546 ( 0.000 -2.542 0.000) 2.542 23.949 ( 0.000 3.293 0.000) 3.293 24.019 ( 0.000 1.018 0.000) 1.018 24.048 ( 0.000 3.997 0.000) 3.997 24.125 ( 0.000 1.767 0.000) 1.767 24.600 ( 0.000 6.045 0.000) 6.045 24.613 ( 0.000 3.707 0.000) 3.707 24.778 ( 0.000 -4.623 0.000) 4.623 24.794 ( 0.000 -5.224 0.000) 5.224 25.173 ( 0.000 -0.957 0.000) 0.957 25.245 ( 0.000 2.127 0.000) 2.127 25.299 ( 0.000 -5.610 0.000) 5.610 25.480 ( 0.000 -6.513 0.000) 6.513 25.490 ( 0.000 0.496 0.000) 0.496 25.539 ( 0.000 2.494 0.000) 2.494 25.539 ( 0.000 -0.315 0.000) 0.315 25.596 ( 0.000 0.043 0.000) 0.043 26.005 ( 0.000 0.291 0.000) 0.291 26.010 ( 0.000 2.248 0.000) 2.248 26.028 ( 0.000 8.233 0.000) 8.233 26.161 ( 0.000 -0.927 0.000) 0.927 26.166 ( 0.000 1.932 0.000) 1.932 26.225 ( 0.000 -1.132 0.000) 1.132 26.253 ( 0.000 -3.123 0.000) 3.123 26.327 ( 0.000 -5.699 0.000) 5.699 26.451 ( 0.000 0.426 0.000) 0.426 26.481 ( 0.000 -1.807 0.000) 1.807 26.484 ( 0.000 0.404 0.000) 0.404 26.525 ( 0.000 -0.771 0.000) 0.771 26.845 ( 0.000 2.479 0.000) 2.479 26.874 ( 0.000 3.847 0.000) 3.847 26.892 ( 0.000 0.312 0.000) 0.312 26.931 ( 0.000 0.663 0.000) 0.663 27.337 ( 0.000 -1.229 0.000) 1.229 27.341 ( 0.000 1.997 0.000) 1.997 27.346 ( 0.000 -1.354 0.000) 1.354 27.385 ( 0.000 -0.113 0.000) 0.113 28.244 ( 0.000 -1.368 0.000) 1.368 28.263 ( 0.000 -2.506 0.000) 2.506 28.268 ( 0.000 0.903 0.000) 0.903 28.327 ( 0.000 -1.751 0.000) 1.751 28.834 ( 0.000 0.997 0.000) 0.997 28.847 ( 0.000 0.143 0.000) 0.143 28.894 ( 0.000 -1.589 0.000) 1.589 28.908 ( 0.000 -2.498 0.000) 2.498 29.258 ( 0.000 4.080 0.000) 4.080 29.280 ( 0.000 2.224 0.000) 2.224 29.303 ( 0.000 3.029 0.000) 3.029 29.314 ( 0.000 0.632 0.000) 0.632 29.647 ( 0.000 -0.236 0.000) 0.236 29.676 ( 0.000 -3.075 0.000) 3.075 29.744 ( 0.000 -6.916 0.000) 6.916 29.767 ( 0.000 -5.349 0.000) 5.349 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.930 ( 7.824 23.816 0.000) 25.068 3.995 ( 1.479 7.252 0.000) 7.401 4.148 ( -0.142 -0.356 0.000) 0.383 4.265 ( -9.119 5.477 0.000) 10.637 4.777 ( 15.805 59.844 0.000) 61.895 4.800 ( 15.941 31.512 0.000) 35.314 6.131 ( -7.950 14.100 0.000) 16.187 6.229 ( -10.398 13.149 0.000) 16.764 6.608 ( -7.379 -18.693 0.000) 20.096 6.788 ( -36.824 9.302 0.000) 37.980 6.807 ( 5.539 1.725 0.000) 5.801 7.061 ( -14.352 -15.832 0.000) 21.369 7.342 ( 2.759 -4.708 0.000) 5.457 7.574 ( -5.039 1.034 0.000) 5.144 7.767 ( 9.412 55.347 0.000) 56.141 7.880 ( 0.582 -9.588 0.000) 9.606 7.926 ( 7.169 -18.848 0.000) 20.165 8.389 ( 9.698 22.132 0.000) 24.163 8.691 ( 3.316 25.561 0.000) 25.775 8.946 ( 0.900 5.202 0.000) 5.279 8.958 ( 12.775 28.153 0.000) 30.916 8.996 ( -11.269 -0.865 0.000) 11.303 9.160 ( -12.121 15.441 0.000) 19.630 9.313 ( -10.334 14.296 0.000) 17.640 9.665 ( 0.859 -4.028 0.000) 4.119 9.676 ( 1.530 -1.917 0.000) 2.453 9.717 ( 14.261 12.228 0.000) 18.786 10.035 ( -0.002 1.021 0.000) 1.021 10.289 ( 1.727 -7.721 0.000) 7.912 10.473 ( 3.841 27.814 0.000) 28.078 10.539 ( -15.750 -0.694 0.000) 15.765 10.589 ( 13.117 -5.021 0.000) 14.045 10.794 ( 6.491 -5.080 0.000) 8.243 10.873 ( 0.993 22.739 0.000) 22.760 11.057 ( -17.282 6.938 0.000) 18.622 11.162 ( 6.126 7.223 0.000) 9.471 11.434 ( 10.043 13.867 0.000) 17.122 11.488 ( -2.449 -5.836 0.000) 6.328 11.494 ( 5.429 -4.671 0.000) 7.162 11.687 ( 22.822 16.600 0.000) 28.221 11.767 ( -10.312 -13.976 0.000) 17.368 11.773 ( 6.902 -3.564 0.000) 7.768 12.044 ( 7.307 7.776 0.000) 10.671 12.159 ( 4.852 -17.426 0.000) 18.089 12.296 ( -5.980 -21.198 0.000) 22.025 12.340 ( -11.941 24.161 0.000) 26.950 12.432 ( 6.160 -5.380 0.000) 8.178 12.550 ( 13.724 -13.756 0.000) 19.432 12.572 ( 4.961 -6.910 0.000) 8.506 13.003 ( -6.513 -4.786 0.000) 8.083 13.161 ( -3.803 -13.877 0.000) 14.389 13.207 ( -9.732 -9.599 0.000) 13.669 13.311 ( 2.102 -8.612 0.000) 8.865 13.528 ( -5.582 -20.626 0.000) 21.368 13.541 ( -12.149 -9.699 0.000) 15.546 13.975 ( -2.862 -11.696 0.000) 12.041 14.556 ( 4.856 0.840 0.000) 4.928 14.845 ( 6.934 -6.437 0.000) 9.461 15.169 ( -3.401 3.603 0.000) 4.954 15.283 ( -10.819 2.424 0.000) 11.087 15.601 ( 5.361 0.249 0.000) 5.367 15.698 ( -0.556 7.523 0.000) 7.544 15.889 ( 4.281 -7.606 0.000) 8.728 16.084 ( -0.546 -7.213 0.000) 7.234 16.239 ( 5.092 5.639 0.000) 7.598 16.346 ( 0.766 -2.781 0.000) 2.885 16.534 ( -1.010 10.872 0.000) 10.919 16.643 ( -6.619 1.262 0.000) 6.738 16.720 ( -2.493 6.767 0.000) 7.212 16.764 ( -9.204 3.024 0.000) 9.688 16.915 ( 1.079 -9.801 0.000) 9.860 17.002 ( -1.153 -3.271 0.000) 3.469 17.085 ( 1.679 11.181 0.000) 11.307 17.135 ( 4.259 -2.772 0.000) 5.082 17.354 ( 2.518 3.716 0.000) 4.489 17.461 ( 2.516 -12.014 0.000) 12.275 17.480 ( -1.528 11.040 0.000) 11.146 17.513 ( 0.317 -10.529 0.000) 10.533 17.930 ( 1.012 -16.349 0.000) 16.380 17.968 ( 0.412 -9.695 0.000) 9.704 18.671 ( -0.823 15.411 0.000) 15.433 18.675 ( -0.351 11.899 0.000) 11.904 18.897 ( -1.136 0.766 0.000) 1.370 18.952 ( -3.365 -0.249 0.000) 3.374 19.202 ( 3.122 17.936 0.000) 18.205 19.229 ( 2.089 16.230 0.000) 16.364 19.319 ( -0.500 18.351 0.000) 18.358 19.331 ( -0.209 9.062 0.000) 9.064 19.749 ( 1.187 -11.447 0.000) 11.509 19.804 ( -0.164 -8.631 0.000) 8.633 19.890 ( 4.454 -10.822 0.000) 11.702 20.068 ( 1.249 -3.383 0.000) 3.606 20.131 ( -1.919 -10.468 0.000) 10.642 20.184 ( 3.927 -10.908 0.000) 11.593 20.333 ( -5.028 -0.729 0.000) 5.080 20.512 ( -4.249 -9.053 0.000) 10.001 20.677 ( -1.443 -6.054 0.000) 6.224 20.719 ( 0.352 -6.287 0.000) 6.297 20.742 ( -2.214 -6.286 0.000) 6.664 20.791 ( -1.301 -7.838 0.000) 7.945 21.051 ( 4.690 0.093 0.000) 4.691 21.127 ( 3.716 -3.122 0.000) 4.853 21.279 ( -1.624 2.850 0.000) 3.280 21.387 ( -3.266 -1.572 0.000) 3.625 21.490 ( -2.600 5.629 0.000) 6.200 21.540 ( -3.190 4.112 0.000) 5.204 21.635 ( 1.082 1.851 0.000) 2.144 21.670 ( 3.970 6.142 0.000) 7.314 21.718 ( -0.329 -1.594 0.000) 1.627 21.821 ( -0.665 -0.398 0.000) 0.775 21.865 ( -0.833 -4.428 0.000) 4.505 21.876 ( 0.304 -1.650 0.000) 1.677 22.058 ( 1.711 4.579 0.000) 4.888 22.077 ( 1.816 0.792 0.000) 1.981 22.134 ( 1.144 -3.516 0.000) 3.697 22.207 ( -0.537 -3.484 0.000) 3.526 22.553 ( 0.133 -2.929 0.000) 2.932 22.561 ( 0.359 -0.700 0.000) 0.787 22.608 ( 1.834 -3.645 0.000) 4.080 22.664 ( -0.111 -3.384 0.000) 3.385 23.186 ( -0.631 3.928 0.000) 3.979 23.236 ( -1.757 3.022 0.000) 3.495 23.236 ( 1.964 2.088 0.000) 2.867 23.297 ( 0.123 0.056 0.000) 0.136 23.329 ( -0.298 1.813 0.000) 1.837 23.349 ( -0.874 4.338 0.000) 4.425 23.436 ( 1.677 -2.602 0.000) 3.096 23.546 ( -0.230 -3.204 0.000) 3.212 23.969 ( 2.082 3.211 0.000) 3.827 24.017 ( -0.280 1.766 0.000) 1.788 24.034 ( -1.308 4.467 0.000) 4.654 24.112 ( -1.430 1.853 0.000) 2.340 24.597 ( -0.319 5.680 0.000) 5.689 24.609 ( -0.411 3.853 0.000) 3.875 24.776 ( -0.183 -4.720 0.000) 4.723 24.789 ( -0.551 -5.237 0.000) 5.265 25.184 ( 1.101 -0.663 0.000) 1.285 25.242 ( -0.373 1.789 0.000) 1.828 25.318 ( 2.005 -5.716 0.000) 6.057 25.465 ( -1.845 -7.414 0.000) 7.640 25.494 ( 0.757 1.523 0.000) 1.701 25.536 ( -0.262 2.169 0.000) 2.185 25.536 ( -0.255 -0.120 0.000) 0.281 25.582 ( -1.423 0.140 0.000) 1.430 25.996 ( 0.092 2.793 0.000) 2.794 26.030 ( 0.037 7.818 0.000) 7.818 26.043 ( 2.326 0.455 0.000) 2.370 26.149 ( -1.515 1.649 0.000) 2.239 26.169 ( 0.860 -1.232 0.000) 1.503 26.224 ( -0.314 -1.485 0.000) 1.518 26.256 ( 0.362 -3.096 0.000) 3.117 26.317 ( -1.027 -5.257 0.000) 5.356 26.457 ( 0.529 0.177 0.000) 0.558 26.482 ( -0.226 0.287 0.000) 0.365 26.484 ( 0.379 -1.384 0.000) 1.435 26.521 ( -0.486 -0.723 0.000) 0.871 26.848 ( 0.295 2.601 0.000) 2.617 26.871 ( -0.280 3.701 0.000) 3.711 26.897 ( 0.481 0.315 0.000) 0.575 26.928 ( -0.330 0.604 0.000) 0.688 27.338 ( 0.068 -0.854 0.000) 0.857 27.340 ( -0.074 1.726 0.000) 1.727 27.349 ( 0.335 -1.289 0.000) 1.332 27.381 ( -0.393 -0.250 0.000) 0.466 28.242 ( -0.018 -1.033 0.000) 1.033 28.264 ( -0.447 0.761 0.000) 0.882 28.272 ( 0.865 -2.529 0.000) 2.673 28.322 ( -0.519 -1.883 0.000) 1.953 28.834 ( 0.017 0.947 0.000) 0.947 28.845 ( -0.256 0.257 0.000) 0.363 28.896 ( 0.187 -1.712 0.000) 1.722 28.907 ( -0.113 -2.440 0.000) 2.443 29.261 ( 0.306 3.861 0.000) 3.873 29.279 ( -0.157 2.380 0.000) 2.385 29.304 ( 0.115 2.779 0.000) 2.782 29.313 ( -0.125 0.814 0.000) 0.824 29.649 ( 0.174 -0.450 0.000) 0.483 29.671 ( -0.492 -2.785 0.000) 2.828 29.749 ( 0.529 -6.716 0.000) 6.737 29.767 ( -0.017 -5.483 0.000) 5.483 ======================= Grid point 17 (12/60) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.038 ( 3.369 7.035 0.000) 7.800 4.072 ( 5.990 7.181 0.000) 9.351 4.124 ( -6.056 7.266 0.000) 9.459 4.137 ( -1.475 1.281 0.000) 1.953 5.170 ( 26.271 51.748 0.000) 58.034 5.220 ( 31.644 28.829 0.000) 42.807 5.686 ( -29.041 42.266 0.000) 51.281 5.936 ( -44.895 18.455 0.000) 48.540 6.295 ( 8.076 -12.436 0.000) 14.828 6.490 ( -12.310 -8.083 0.000) 14.726 6.869 ( 1.272 -12.872 0.000) 12.934 6.894 ( -3.236 -23.359 0.000) 23.582 7.418 ( 4.957 -4.529 0.000) 6.714 7.499 ( -3.904 -2.793 0.000) 4.800 7.908 ( 3.136 -18.195 0.000) 18.463 7.970 ( -1.909 -24.213 0.000) 24.288 8.102 ( 24.998 70.515 0.000) 74.815 8.482 ( -5.365 37.786 0.000) 38.165 8.662 ( -4.208 30.273 0.000) 30.564 8.772 ( -10.816 8.108 0.000) 13.517 8.962 ( -0.849 2.742 0.000) 2.870 8.973 ( -4.415 6.802 0.000) 8.109 9.147 ( 7.097 21.421 0.000) 22.566 9.208 ( -1.540 15.824 0.000) 15.898 9.618 ( -3.039 -5.803 0.000) 6.550 9.632 ( -4.073 -4.213 0.000) 5.860 10.045 ( 18.453 19.488 0.000) 26.838 10.092 ( 6.334 4.568 0.000) 7.810 10.273 ( -11.928 2.999 0.000) 12.299 10.284 ( -3.496 12.294 0.000) 12.781 10.459 ( -2.626 16.193 0.000) 16.405 10.577 ( -15.462 13.705 0.000) 20.662 10.886 ( 15.382 5.359 0.000) 16.288 11.026 ( 7.975 -7.011 0.000) 10.618 11.138 ( 8.570 0.826 0.000) 8.609 11.172 ( -0.799 17.287 0.000) 17.306 11.525 ( -1.062 1.592 0.000) 1.914 11.533 ( 1.638 -5.538 0.000) 5.775 11.596 ( 1.558 -25.762 0.000) 25.809 11.655 ( 14.507 26.115 0.000) 29.874 11.838 ( -7.380 -25.525 0.000) 26.571 12.029 ( -20.555 28.282 0.000) 34.963 12.113 ( 10.695 -1.529 0.000) 10.804 12.161 ( -2.638 -14.649 0.000) 14.884 12.265 ( 15.953 -5.660 0.000) 16.928 12.303 ( 16.166 -2.347 0.000) 16.336 12.601 ( 10.342 -11.802 0.000) 15.692 12.634 ( 1.489 -10.019 0.000) 10.129 12.692 ( 5.206 -17.676 0.000) 18.426 12.787 ( -13.543 -9.579 0.000) 16.588 12.935 ( -21.058 19.011 0.000) 28.370 12.947 ( -15.844 -4.743 0.000) 16.538 13.401 ( 1.155 -17.154 0.000) 17.193 13.410 ( -1.350 -18.942 0.000) 18.990 13.566 ( 12.648 -17.414 0.000) 21.523 13.821 ( -12.798 -15.262 0.000) 19.918 14.737 ( 14.196 2.098 0.000) 14.350 14.990 ( 8.123 -2.980 0.000) 8.653 15.013 ( -14.218 1.117 0.000) 14.262 15.122 ( -6.465 2.370 0.000) 6.885 15.664 ( 1.872 1.442 0.000) 2.363 15.685 ( -0.811 4.525 0.000) 4.597 15.982 ( 5.276 -8.890 0.000) 10.338 16.059 ( -2.772 -9.599 0.000) 9.992 16.347 ( 6.821 2.074 0.000) 7.129 16.390 ( 4.234 -0.493 0.000) 4.263 16.478 ( -5.515 1.842 0.000) 5.815 16.500 ( -8.596 0.440 0.000) 8.607 16.653 ( -1.501 8.805 0.000) 8.932 16.671 ( -2.407 8.717 0.000) 9.043 16.943 ( 1.799 -7.807 0.000) 8.011 16.976 ( -1.714 -5.294 0.000) 5.565 17.129 ( 2.846 9.092 0.000) 9.527 17.168 ( -0.716 3.588 0.000) 3.659 17.403 ( 2.565 6.234 0.000) 6.741 17.443 ( -1.945 9.853 0.000) 10.043 17.504 ( 1.491 -11.266 0.000) 11.364 17.517 ( -0.064 -10.666 0.000) 10.666 17.953 ( 1.299 -14.132 0.000) 14.192 17.969 ( -0.402 -11.653 0.000) 11.660 18.661 ( -0.101 13.964 0.000) 13.965 18.666 ( -0.535 12.623 0.000) 12.635 18.883 ( -0.122 1.207 0.000) 1.214 18.900 ( -2.028 0.722 0.000) 2.153 19.250 ( 1.884 20.219 0.000) 20.306 19.262 ( 0.854 19.208 0.000) 19.227 19.312 ( 0.060 12.819 0.000) 12.819 19.323 ( -0.693 9.085 0.000) 9.112 19.775 ( 1.450 -10.697 0.000) 10.795 19.796 ( -0.772 -9.377 0.000) 9.409 19.988 ( 5.642 -10.935 0.000) 12.305 20.078 ( -3.980 -10.647 0.000) 11.367 20.118 ( 4.404 -2.869 0.000) 5.256 20.222 ( -6.519 -1.606 0.000) 6.714 20.279 ( 6.357 -10.677 0.000) 12.426 20.405 ( -7.017 -10.245 0.000) 12.418 20.668 ( 0.577 -5.655 0.000) 5.684 20.696 ( -2.370 -5.901 0.000) 6.359 20.733 ( 1.227 -7.480 0.000) 7.580 20.762 ( -1.787 -7.990 0.000) 8.188 21.148 ( 5.308 0.603 0.000) 5.342 21.212 ( 5.248 -1.750 0.000) 5.532 21.231 ( -3.664 1.586 0.000) 3.993 21.308 ( -5.094 -1.355 0.000) 5.271 21.466 ( 0.048 4.198 0.000) 4.198 21.489 ( -2.229 3.746 0.000) 4.359 21.647 ( 0.704 -0.263 0.000) 0.751 21.669 ( -1.622 -0.117 0.000) 1.626 21.772 ( 3.811 1.406 0.000) 4.062 21.814 ( -0.724 0.518 0.000) 0.890 21.856 ( -0.073 -0.272 0.000) 0.282 21.866 ( -1.070 0.573 0.000) 1.214 22.091 ( 1.492 3.278 0.000) 3.602 22.101 ( 0.489 1.710 0.000) 1.779 22.161 ( 1.656 -3.050 0.000) 3.471 22.189 ( -1.351 -3.109 0.000) 3.390 22.560 ( 0.507 -2.080 0.000) 2.141 22.566 ( -0.008 -1.392 0.000) 1.392 22.640 ( 1.443 -3.672 0.000) 3.945 22.658 ( -0.572 -3.436 0.000) 3.483 23.185 ( 0.534 4.047 0.000) 4.082 23.205 ( -1.541 3.641 0.000) 3.953 23.269 ( 1.398 0.361 0.000) 1.444 23.288 ( -0.884 -1.246 0.000) 1.528 23.327 ( 0.214 3.249 0.000) 3.256 23.336 ( -0.584 5.125 0.000) 5.158 23.479 ( 2.859 -3.506 0.000) 4.524 23.527 ( -1.994 -3.920 0.000) 4.398 24.008 ( 0.215 3.473 0.000) 3.479 24.013 ( -0.732 4.695 0.000) 4.752 24.021 ( 2.602 2.833 0.000) 3.846 24.074 ( -2.688 2.259 0.000) 3.511 24.594 ( 0.096 4.934 0.000) 4.934 24.600 ( -0.518 4.273 0.000) 4.305 24.774 ( 0.017 -4.962 0.000) 4.962 24.778 ( -0.465 -5.180 0.000) 5.201 25.208 ( 1.416 0.062 0.000) 1.418 25.230 ( -0.952 0.973 0.000) 1.362 25.365 ( 2.940 -6.029 0.000) 6.707 25.419 ( -2.904 -6.533 0.000) 7.149 25.516 ( 1.543 0.858 0.000) 1.766 25.531 ( -0.193 1.382 0.000) 1.396 25.532 ( -0.120 0.461 0.000) 0.476 25.550 ( -1.913 0.411 0.000) 1.957 26.007 ( 0.988 4.750 0.000) 4.852 26.024 ( -0.709 6.595 0.000) 6.633 26.085 ( 2.163 0.476 0.000) 2.215 26.119 ( -1.676 1.089 0.000) 1.998 26.189 ( 1.208 -1.899 0.000) 2.250 26.211 ( -1.075 -2.085 0.000) 2.346 26.269 ( 1.062 -3.331 0.000) 3.496 26.293 ( -1.483 -4.213 0.000) 4.467 26.468 ( 0.580 -0.143 0.000) 0.598 26.476 ( -0.398 0.003 0.000) 0.398 26.494 ( 0.723 -0.734 0.000) 1.030 26.509 ( -0.779 -0.617 0.000) 0.994 26.855 ( 0.475 2.923 0.000) 2.962 26.864 ( -0.467 3.339 0.000) 3.372 26.908 ( 0.683 0.356 0.000) 0.770 26.920 ( -0.589 0.469 0.000) 0.753 27.338 ( 0.015 0.024 0.000) 0.028 27.339 ( -0.061 0.990 0.000) 0.991 27.359 ( 0.663 -1.024 0.000) 1.220 27.371 ( -0.656 -0.606 0.000) 0.893 28.245 ( 0.351 -0.333 0.000) 0.484 28.254 ( -0.577 0.332 0.000) 0.666 28.290 ( 1.083 -2.443 0.000) 2.672 28.309 ( -0.929 -2.180 0.000) 2.370 28.835 ( 0.148 0.785 0.000) 0.799 28.839 ( -0.293 0.522 0.000) 0.599 28.900 ( 0.248 -1.991 0.000) 2.006 28.905 ( -0.206 -2.265 0.000) 2.274 29.268 ( 0.417 3.345 0.000) 3.371 29.275 ( -0.323 2.793 0.000) 2.811 29.307 ( 0.169 2.127 0.000) 2.134 29.310 ( -0.179 1.361 0.000) 1.372 29.654 ( 0.329 -1.077 0.000) 1.126 29.661 ( -0.488 -1.982 0.000) 2.041 29.759 ( 0.473 -6.301 0.000) 6.318 29.765 ( -0.195 -5.841 0.000) 5.844 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.098 ( 0.000 -4.079 0.000) 4.079 4.098 ( 0.000 4.079 0.000) 4.079 4.239 ( 0.000 -11.053 0.000) 11.053 4.239 ( 0.000 11.053 0.000) 11.053 5.593 ( 0.000 -44.865 0.000) 44.865 5.593 ( 0.000 44.865 0.000) 44.865 5.801 ( 0.000 -50.474 0.000) 50.474 5.801 ( 0.000 50.474 0.000) 50.474 6.756 ( 0.000 -2.278 0.000) 2.278 6.756 ( 0.000 2.278 0.000) 2.278 7.181 ( 0.000 -5.322 0.000) 5.322 7.181 ( 0.000 5.322 0.000) 5.322 7.387 ( 0.000 -21.035 0.000) 21.035 7.387 ( 0.000 21.035 0.000) 21.035 7.781 ( 0.000 -4.317 0.000) 4.317 7.781 ( 0.000 4.317 0.000) 4.317 8.665 ( 0.000 -15.439 0.000) 15.439 8.665 ( 0.000 15.439 0.000) 15.439 9.029 ( 0.000 -3.757 0.000) 3.757 9.029 ( 0.000 3.757 0.000) 3.757 9.099 ( 0.000 -53.974 0.000) 53.974 9.099 ( 0.000 53.974 0.000) 53.974 9.343 ( 0.000 -15.459 0.000) 15.459 9.343 ( 0.000 15.459 0.000) 15.459 9.603 ( 0.000 -1.212 0.000) 1.212 9.603 ( 0.000 1.212 0.000) 1.212 9.676 ( 0.000 -12.533 0.000) 12.533 9.676 ( 0.000 12.533 0.000) 12.533 10.521 ( 0.000 -17.537 0.000) 17.537 10.521 ( 0.000 17.537 0.000) 17.537 10.687 ( 0.000 -17.024 0.000) 17.024 10.687 ( 0.000 17.024 0.000) 17.024 10.795 ( 0.000 -5.661 0.000) 5.661 10.795 ( 0.000 5.661 0.000) 5.661 11.051 ( 0.000 -15.869 0.000) 15.869 11.051 ( 0.000 15.869 0.000) 15.869 11.530 ( 0.000 -1.359 0.000) 1.359 11.530 ( 0.000 1.359 0.000) 1.359 11.609 ( 0.000 -16.559 0.000) 16.559 11.609 ( 0.000 16.559 0.000) 16.559 11.757 ( 0.000 -17.100 0.000) 17.100 11.757 ( 0.000 17.100 0.000) 17.100 11.796 ( 0.000 -9.175 0.000) 9.175 11.796 ( 0.000 9.175 0.000) 9.175 12.249 ( 0.000 -4.703 0.000) 4.703 12.249 ( 0.000 4.703 0.000) 4.703 12.676 ( 0.000 -13.439 0.000) 13.439 12.676 ( 0.000 13.439 0.000) 13.439 12.759 ( 0.000 -28.322 0.000) 28.322 12.759 ( 0.000 28.322 0.000) 28.322 13.049 ( 0.000 -13.951 0.000) 13.951 13.049 ( 0.000 13.951 0.000) 13.951 13.245 ( 0.000 -2.110 0.000) 2.110 13.245 ( 0.000 2.110 0.000) 2.110 13.750 ( 0.000 -9.657 0.000) 9.657 13.750 ( 0.000 9.657 0.000) 9.657 14.588 ( 0.000 -7.457 0.000) 7.457 14.588 ( 0.000 7.457 0.000) 7.457 15.307 ( 0.000 -6.439 0.000) 6.439 15.307 ( 0.000 6.439 0.000) 6.439 15.673 ( 0.000 -9.538 0.000) 9.538 15.673 ( 0.000 9.538 0.000) 9.538 15.926 ( 0.000 -10.746 0.000) 10.746 15.926 ( 0.000 10.746 0.000) 10.746 16.278 ( 0.000 -2.071 0.000) 2.071 16.278 ( 0.000 2.071 0.000) 2.071 16.710 ( 0.000 -2.817 0.000) 2.817 16.710 ( 0.000 2.817 0.000) 2.817 16.798 ( 0.000 -0.646 0.000) 0.646 16.798 ( 0.000 0.646 0.000) 0.646 16.965 ( 0.000 -2.027 0.000) 2.027 16.965 ( 0.000 2.027 0.000) 2.027 17.128 ( 0.000 -13.733 0.000) 13.733 17.128 ( 0.000 13.733 0.000) 13.733 17.283 ( 0.000 -10.899 0.000) 10.899 17.283 ( 0.000 10.899 0.000) 10.899 17.560 ( 0.000 -16.785 0.000) 16.785 17.560 ( 0.000 16.785 0.000) 16.785 17.748 ( 0.000 -11.690 0.000) 11.690 17.748 ( 0.000 11.690 0.000) 11.690 18.855 ( 0.000 -5.649 0.000) 5.649 18.855 ( 0.000 5.649 0.000) 5.649 18.908 ( 0.000 -6.956 0.000) 6.956 18.908 ( 0.000 6.956 0.000) 6.956 19.475 ( 0.000 -13.000 0.000) 13.000 19.475 ( 0.000 13.000 0.000) 13.000 19.509 ( 0.000 -15.353 0.000) 15.353 19.509 ( 0.000 15.353 0.000) 15.353 19.602 ( 0.000 -15.428 0.000) 15.428 19.602 ( 0.000 15.428 0.000) 15.428 19.809 ( 0.000 -22.147 0.000) 22.147 19.809 ( 0.000 22.147 0.000) 22.147 20.038 ( 0.000 -0.791 0.000) 0.791 20.038 ( 0.000 0.791 0.000) 0.791 20.419 ( 0.000 -4.283 0.000) 4.283 20.419 ( 0.000 4.283 0.000) 4.283 20.642 ( 0.000 -1.355 0.000) 1.355 20.642 ( 0.000 1.355 0.000) 1.355 20.702 ( 0.000 -1.181 0.000) 1.181 20.702 ( 0.000 1.181 0.000) 1.181 21.025 ( 0.000 -2.178 0.000) 2.178 21.025 ( 0.000 2.178 0.000) 2.178 21.365 ( 0.000 -3.294 0.000) 3.294 21.365 ( 0.000 3.294 0.000) 3.294 21.641 ( 0.000 -0.291 0.000) 0.291 21.641 ( 0.000 0.291 0.000) 0.291 21.676 ( 0.000 -3.502 0.000) 3.502 21.676 ( 0.000 3.502 0.000) 3.502 21.730 ( 0.000 -5.212 0.000) 5.212 21.730 ( 0.000 5.212 0.000) 5.212 21.826 ( 0.000 -0.264 0.000) 0.264 21.826 ( 0.000 0.264 0.000) 0.264 22.067 ( 0.000 -1.428 0.000) 1.428 22.067 ( 0.000 1.428 0.000) 1.428 22.134 ( 0.000 -4.016 0.000) 4.016 22.134 ( 0.000 4.016 0.000) 4.016 22.535 ( 0.000 -1.413 0.000) 1.413 22.535 ( 0.000 1.413 0.000) 1.413 22.595 ( 0.000 -3.160 0.000) 3.160 22.595 ( 0.000 3.160 0.000) 3.160 23.237 ( 0.000 -0.203 0.000) 0.203 23.237 ( 0.000 0.203 0.000) 0.203 23.287 ( 0.000 -0.935 0.000) 0.935 23.287 ( 0.000 0.935 0.000) 0.935 23.375 ( 0.000 -2.330 0.000) 2.330 23.375 ( 0.000 2.330 0.000) 2.330 23.464 ( 0.000 -5.165 0.000) 5.165 23.464 ( 0.000 5.165 0.000) 5.165 24.008 ( 0.000 -2.016 0.000) 2.016 24.008 ( 0.000 2.016 0.000) 2.016 24.119 ( 0.000 -2.297 0.000) 2.297 24.119 ( 0.000 2.297 0.000) 2.297 24.688 ( 0.000 -3.980 0.000) 3.980 24.688 ( 0.000 3.980 0.000) 3.980 24.701 ( 0.000 -4.179 0.000) 4.179 24.701 ( 0.000 4.179 0.000) 4.179 25.200 ( 0.000 -3.495 0.000) 3.495 25.200 ( 0.000 3.495 0.000) 3.495 25.334 ( 0.000 -6.126 0.000) 6.126 25.334 ( 0.000 6.126 0.000) 6.126 25.522 ( 0.000 -1.284 0.000) 1.284 25.522 ( 0.000 1.284 0.000) 1.284 25.580 ( 0.000 -1.482 0.000) 1.482 25.580 ( 0.000 1.482 0.000) 1.482 26.018 ( 0.000 -0.791 0.000) 0.791 26.018 ( 0.000 0.791 0.000) 0.791 26.189 ( 0.000 -2.929 0.000) 2.929 26.189 ( 0.000 2.929 0.000) 2.929 26.190 ( 0.000 -7.126 0.000) 7.126 26.190 ( 0.000 7.126 0.000) 7.126 26.202 ( 0.000 -1.664 0.000) 1.664 26.202 ( 0.000 1.664 0.000) 1.664 26.457 ( 0.000 -0.457 0.000) 0.457 26.457 ( 0.000 0.457 0.000) 0.457 26.503 ( 0.000 -1.214 0.000) 1.214 26.503 ( 0.000 1.214 0.000) 1.214 26.884 ( 0.000 -1.166 0.000) 1.166 26.884 ( 0.000 1.166 0.000) 1.166 26.928 ( 0.000 -1.289 0.000) 1.289 26.928 ( 0.000 1.289 0.000) 1.289 27.326 ( 0.000 -0.337 0.000) 0.337 27.326 ( 0.000 0.337 0.000) 0.337 27.373 ( 0.000 -1.051 0.000) 1.051 27.373 ( 0.000 1.051 0.000) 1.051 28.232 ( 0.000 -0.402 0.000) 0.402 28.232 ( 0.000 0.402 0.000) 0.402 28.293 ( 0.000 -1.480 0.000) 1.480 28.293 ( 0.000 1.480 0.000) 1.480 28.860 ( 0.000 -1.554 0.000) 1.554 28.860 ( 0.000 1.554 0.000) 1.554 28.865 ( 0.000 -1.571 0.000) 1.571 28.865 ( 0.000 1.571 0.000) 1.571 29.315 ( 0.000 -0.789 0.000) 0.789 29.315 ( 0.000 0.789 0.000) 0.789 29.327 ( 0.000 -1.453 0.000) 1.453 29.327 ( 0.000 1.453 0.000) 1.453 29.648 ( 0.000 -1.447 0.000) 1.447 29.648 ( 0.000 1.447 0.000) 1.447 29.675 ( 0.000 -3.122 0.000) 3.122 29.675 ( 0.000 3.122 0.000) 3.122 ======================= Grid point 22 (14/60) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.106 ( 0.891 -3.707 0.000) 3.812 4.106 ( 0.891 3.707 0.000) 3.812 4.215 ( -2.373 -7.885 0.000) 8.234 4.215 ( -2.373 7.885 0.000) 8.234 5.641 ( 6.025 -40.618 0.000) 41.062 5.641 ( 6.025 40.618 0.000) 41.062 5.882 ( 8.522 -46.895 0.000) 47.663 5.882 ( 8.522 46.895 0.000) 47.663 6.651 ( -10.177 -13.996 0.000) 17.305 6.651 ( -10.177 13.996 0.000) 17.305 6.903 ( -27.414 -4.160 0.000) 27.727 6.903 ( -27.414 4.160 0.000) 27.727 7.459 ( 5.778 -19.713 0.000) 20.542 7.459 ( 5.778 19.713 0.000) 20.542 7.681 ( -6.670 -8.495 0.000) 10.801 7.681 ( -6.670 8.495 0.000) 10.801 8.703 ( 2.908 -11.144 0.000) 11.517 8.703 ( 2.908 11.144 0.000) 11.517 8.882 ( -5.842 -15.842 0.000) 16.885 8.882 ( -5.842 15.842 0.000) 16.885 9.335 ( 12.338 -42.442 0.000) 44.199 9.335 ( 12.338 42.442 0.000) 44.199 9.446 ( 3.109 -15.150 0.000) 15.466 9.446 ( 3.109 15.150 0.000) 15.466 9.583 ( 0.846 -14.734 0.000) 14.759 9.583 ( 0.846 14.734 0.000) 14.759 9.797 ( 14.354 -18.014 0.000) 23.033 9.797 ( 14.354 18.014 0.000) 23.033 10.457 ( -2.831 -2.402 0.000) 3.713 10.457 ( -2.831 2.402 0.000) 3.713 10.459 ( -7.310 -18.153 0.000) 19.569 10.459 ( -7.310 18.153 0.000) 19.569 11.054 ( 9.005 -22.680 0.000) 24.402 11.054 ( 9.005 22.680 0.000) 24.402 11.192 ( 11.638 -15.429 0.000) 19.326 11.192 ( 11.638 15.429 0.000) 19.326 11.452 ( -18.527 -25.520 0.000) 31.535 11.452 ( -18.527 25.520 0.000) 31.535 11.486 ( -3.164 -4.756 0.000) 5.712 11.486 ( -3.164 4.756 0.000) 5.712 11.802 ( 8.116 -19.860 0.000) 21.455 11.802 ( 8.116 19.860 0.000) 21.455 11.917 ( 12.448 -4.936 0.000) 13.391 11.917 ( 12.448 4.936 0.000) 13.391 12.216 ( -1.041 -10.106 0.000) 10.159 12.216 ( -1.041 10.106 0.000) 10.159 12.637 ( -4.825 -7.434 0.000) 8.863 12.637 ( -4.825 7.434 0.000) 8.863 12.849 ( 6.794 -27.400 0.000) 28.230 12.849 ( 6.794 27.400 0.000) 28.230 13.046 ( -2.732 -14.703 0.000) 14.955 13.046 ( -2.732 14.703 0.000) 14.955 13.160 ( -5.174 -9.513 0.000) 10.829 13.160 ( -5.174 9.513 0.000) 10.829 13.669 ( -9.245 -16.877 0.000) 19.243 13.669 ( -9.245 16.877 0.000) 19.243 14.653 ( 7.262 -8.785 0.000) 11.398 14.653 ( 7.262 8.785 0.000) 11.398 15.240 ( -6.936 -4.348 0.000) 8.187 15.240 ( -6.936 4.348 0.000) 8.187 15.716 ( 3.958 -8.733 0.000) 9.588 15.716 ( 3.958 8.733 0.000) 9.588 15.904 ( -2.182 -10.569 0.000) 10.792 15.904 ( -2.182 10.569 0.000) 10.792 16.301 ( 2.449 -1.390 0.000) 2.816 16.301 ( 2.449 1.390 0.000) 2.816 16.636 ( -7.483 -1.722 0.000) 7.678 16.636 ( -7.483 1.722 0.000) 7.678 16.805 ( 0.667 -2.403 0.000) 2.493 16.805 ( 0.667 2.403 0.000) 2.493 16.899 ( -3.801 -7.169 0.000) 8.114 16.899 ( -3.801 7.169 0.000) 8.114 17.215 ( 5.806 -9.468 0.000) 11.106 17.215 ( 5.806 9.468 0.000) 11.106 17.291 ( 0.768 -10.438 0.000) 10.467 17.291 ( 0.768 10.438 0.000) 10.467 17.585 ( 2.522 -16.223 0.000) 16.418 17.585 ( 2.522 16.223 0.000) 16.418 17.737 ( -1.255 -12.395 0.000) 12.458 17.737 ( -1.255 12.395 0.000) 12.458 18.851 ( -0.393 -5.391 0.000) 5.406 18.851 ( -0.393 5.391 0.000) 5.406 18.886 ( -1.983 -6.302 0.000) 6.607 18.886 ( -1.983 6.302 0.000) 6.607 19.489 ( 1.436 -12.847 0.000) 12.927 19.489 ( 1.436 12.847 0.000) 12.927 19.536 ( 1.791 -14.233 0.000) 14.345 19.536 ( 1.791 14.233 0.000) 14.345 19.618 ( 2.274 -16.647 0.000) 16.801 19.618 ( 2.274 16.647 0.000) 16.801 19.796 ( -1.527 -21.805 0.000) 21.859 19.796 ( -1.527 21.805 0.000) 21.859 20.059 ( 2.359 -2.513 0.000) 3.447 20.059 ( 2.359 2.513 0.000) 3.447 20.369 ( -5.152 -4.490 0.000) 6.834 20.369 ( -5.152 4.490 0.000) 6.834 20.632 ( -0.777 -1.639 0.000) 1.814 20.632 ( -0.777 1.639 0.000) 1.814 20.685 ( -1.682 -1.416 0.000) 2.199 20.685 ( -1.682 1.416 0.000) 2.199 21.074 ( 4.748 -1.961 0.000) 5.137 21.074 ( 4.748 1.961 0.000) 5.137 21.340 ( -2.671 -2.868 0.000) 3.919 21.340 ( -2.671 2.868 0.000) 3.919 21.615 ( -2.359 -3.038 0.000) 3.846 21.615 ( -2.359 3.038 0.000) 3.846 21.620 ( -3.494 -6.635 0.000) 7.498 21.620 ( -3.494 6.635 0.000) 7.498 21.786 ( 3.548 -4.568 0.000) 5.784 21.786 ( 3.548 4.568 0.000) 5.784 21.842 ( 1.320 -1.810 0.000) 2.240 21.842 ( 1.320 1.810 0.000) 2.240 22.084 ( 1.723 -1.142 0.000) 2.067 22.084 ( 1.723 1.142 0.000) 2.067 22.138 ( 0.331 -3.380 0.000) 3.396 22.138 ( 0.331 3.380 0.000) 3.396 22.547 ( 1.208 -1.946 0.000) 2.290 22.547 ( 1.208 1.946 0.000) 2.290 22.595 ( -0.050 -3.089 0.000) 3.090 22.595 ( -0.050 3.089 0.000) 3.090 23.241 ( 0.352 -1.375 0.000) 1.419 23.241 ( 0.352 1.375 0.000) 1.419 23.278 ( -0.943 -1.336 0.000) 1.635 23.278 ( -0.943 1.336 0.000) 1.635 23.380 ( 0.733 -2.802 0.000) 2.897 23.380 ( 0.733 2.802 0.000) 2.897 23.458 ( -0.664 -5.154 0.000) 5.196 23.458 ( -0.664 5.154 0.000) 5.196 24.020 ( 1.275 -1.384 0.000) 1.882 24.020 ( 1.275 1.384 0.000) 1.882 24.108 ( -1.108 -2.243 0.000) 2.501 24.108 ( -1.108 2.243 0.000) 2.501 24.685 ( -0.279 -3.979 0.000) 3.988 24.685 ( -0.279 3.979 0.000) 3.988 24.694 ( -0.694 -4.227 0.000) 4.284 24.694 ( -0.694 4.227 0.000) 4.284 25.217 ( 1.702 -3.708 0.000) 4.080 25.217 ( 1.702 3.708 0.000) 4.080 25.324 ( -1.084 -5.819 0.000) 5.919 25.324 ( -1.084 5.819 0.000) 5.919 25.523 ( 0.203 -1.092 0.000) 1.111 25.523 ( 0.203 1.092 0.000) 1.111 25.571 ( -0.966 -1.179 0.000) 1.525 25.571 ( -0.966 1.179 0.000) 1.525 26.035 ( 1.739 -1.319 0.000) 2.182 26.035 ( 1.739 1.319 0.000) 2.182 26.170 ( -1.877 -2.983 0.000) 3.525 26.170 ( -1.877 2.983 0.000) 3.525 26.192 ( 0.314 -2.866 0.000) 2.883 26.192 ( 0.314 2.866 0.000) 2.883 26.205 ( 0.105 -2.570 0.000) 2.572 26.205 ( 0.105 2.570 0.000) 2.572 26.463 ( 0.591 -0.660 0.000) 0.886 26.463 ( 0.591 0.660 0.000) 0.886 26.499 ( -0.393 -1.167 0.000) 1.232 26.499 ( -0.393 1.167 0.000) 1.232 26.888 ( 0.468 -1.204 0.000) 1.292 26.888 ( 0.468 1.204 0.000) 1.292 26.924 ( -0.451 -1.298 0.000) 1.374 26.924 ( -0.451 1.298 0.000) 1.374 27.331 ( 0.480 -0.313 0.000) 0.573 27.331 ( 0.480 0.313 0.000) 0.573 27.369 ( -0.480 -0.978 0.000) 1.090 27.369 ( -0.480 0.978 0.000) 1.090 28.237 ( 0.604 -0.701 0.000) 0.925 28.237 ( 0.604 0.701 0.000) 0.925 28.287 ( -0.644 -1.467 0.000) 1.603 28.287 ( -0.644 1.467 0.000) 1.603 28.860 ( 0.008 -1.603 0.000) 1.603 28.860 ( 0.008 1.603 0.000) 1.603 28.864 ( -0.087 -1.612 0.000) 1.614 28.864 ( -0.087 1.612 0.000) 1.614 29.316 ( 0.086 -0.810 0.000) 0.815 29.316 ( 0.086 0.810 0.000) 0.815 29.325 ( -0.148 -1.373 0.000) 1.381 29.325 ( -0.148 1.373 0.000) 1.381 29.652 ( 0.391 -1.901 0.000) 1.941 29.652 ( 0.391 1.901 0.000) 1.941 29.674 ( -0.155 -3.087 0.000) 3.091 29.674 ( -0.155 3.087 0.000) 3.091 ======================= Grid point 24 (15/60) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.130 ( 1.708 -2.211 0.000) 2.794 4.130 ( 1.708 2.211 0.000) 2.794 4.168 ( -2.454 -2.134 0.000) 3.252 4.168 ( -2.454 2.134 0.000) 3.252 5.843 ( 16.421 -28.532 0.000) 32.920 5.843 ( 16.421 28.532 0.000) 32.920 6.058 ( 5.751 -26.926 0.000) 27.533 6.058 ( 5.751 26.926 0.000) 27.533 6.386 ( -21.253 -14.170 0.000) 25.543 6.386 ( -21.253 14.170 0.000) 25.543 6.429 ( -13.008 -28.038 0.000) 30.908 6.429 ( -13.008 28.038 0.000) 30.908 7.540 ( 2.977 -15.404 0.000) 15.689 7.540 ( 2.977 15.404 0.000) 15.689 7.591 ( -3.395 -10.929 0.000) 11.444 7.591 ( -3.395 10.929 0.000) 11.444 8.761 ( 3.438 -7.444 0.000) 8.200 8.761 ( 3.438 7.444 0.000) 8.200 8.818 ( -2.585 -4.624 0.000) 5.298 8.818 ( -2.585 4.624 0.000) 5.298 9.388 ( -0.731 -18.200 0.000) 18.215 9.388 ( -0.731 18.200 0.000) 18.215 9.420 ( -3.416 -14.704 0.000) 15.096 9.420 ( -3.416 14.704 0.000) 15.096 9.773 ( 14.243 -40.828 0.000) 43.241 9.773 ( 14.243 40.828 0.000) 43.241 9.946 ( -2.594 -35.093 0.000) 35.189 9.946 ( -2.594 35.093 0.000) 35.189 10.497 ( 10.124 -22.339 0.000) 24.526 10.497 ( 10.124 22.339 0.000) 24.526 10.555 ( 10.401 -22.952 0.000) 25.198 10.555 ( 10.401 22.952 0.000) 25.198 11.019 ( -9.626 -28.621 0.000) 30.196 11.019 ( -9.626 28.621 0.000) 30.196 11.035 ( -18.972 -35.009 0.000) 39.819 11.035 ( -18.972 35.009 0.000) 39.819 11.397 ( 7.093 -14.182 0.000) 15.857 11.397 ( 7.093 14.182 0.000) 15.857 11.461 ( -0.779 -9.055 0.000) 9.089 11.461 ( -0.779 9.055 0.000) 9.089 12.046 ( 17.043 -8.212 0.000) 18.918 12.046 ( 17.043 8.212 0.000) 18.918 12.142 ( 7.948 -11.145 0.000) 13.689 12.142 ( 7.948 11.145 0.000) 13.689 12.234 ( 2.623 -9.802 0.000) 10.147 12.234 ( 2.623 9.802 0.000) 10.147 12.445 ( -16.801 -10.559 0.000) 19.843 12.445 ( -16.801 10.559 0.000) 19.843 12.937 ( 2.285 -25.559 0.000) 25.661 12.937 ( 2.285 25.559 0.000) 25.661 12.954 ( -2.053 -13.729 0.000) 13.881 12.954 ( -2.053 13.729 0.000) 13.881 13.199 ( 7.917 -13.824 0.000) 15.931 13.199 ( 7.917 13.824 0.000) 15.931 13.429 ( -15.457 -23.216 0.000) 27.891 13.429 ( -15.457 23.216 0.000) 27.891 14.840 ( 12.460 -8.108 0.000) 14.866 14.840 ( 12.460 8.108 0.000) 14.866 15.068 ( -11.601 -4.448 0.000) 12.425 15.068 ( -11.601 4.448 0.000) 12.425 15.792 ( 3.960 -9.191 0.000) 10.008 15.792 ( 3.960 9.191 0.000) 10.008 15.855 ( -3.068 -10.218 0.000) 10.669 15.855 ( -3.068 10.218 0.000) 10.669 16.367 ( 4.962 -1.161 0.000) 5.096 16.367 ( 4.962 1.161 0.000) 5.096 16.485 ( -7.922 -0.887 0.000) 7.972 16.485 ( -7.922 0.887 0.000) 7.972 16.822 ( 1.204 -5.238 0.000) 5.375 16.822 ( 1.204 5.238 0.000) 5.375 16.850 ( -1.914 -7.597 0.000) 7.834 16.850 ( -1.914 7.597 0.000) 7.834 17.289 ( 2.226 -8.564 0.000) 8.848 17.289 ( 2.226 8.564 0.000) 8.848 17.304 ( 0.303 -9.384 0.000) 9.389 17.304 ( 0.303 9.384 0.000) 9.389 17.643 ( 3.514 -15.058 0.000) 15.463 17.643 ( 3.514 15.058 0.000) 15.463 17.701 ( -2.705 -13.784 0.000) 14.047 17.701 ( -2.705 13.784 0.000) 14.047 18.845 ( -0.075 -5.093 0.000) 5.094 18.845 ( -0.075 5.093 0.000) 5.094 18.854 ( -1.169 -5.408 0.000) 5.533 18.854 ( -1.169 5.408 0.000) 5.533 19.520 ( 1.747 -12.698 0.000) 12.818 19.520 ( 1.747 12.698 0.000) 12.818 19.544 ( -0.707 -12.985 0.000) 13.004 19.544 ( -0.707 12.985 0.000) 13.004 19.685 ( 4.306 -18.909 0.000) 19.393 19.685 ( 4.306 18.909 0.000) 19.393 19.754 ( -3.065 -20.719 0.000) 20.945 19.754 ( -3.065 20.719 0.000) 20.945 20.130 ( 5.522 -3.961 0.000) 6.795 20.130 ( 5.522 3.961 0.000) 6.795 20.251 ( -7.219 -4.526 0.000) 8.520 20.251 ( -7.219 4.526 0.000) 8.520 20.627 ( 0.514 -1.984 0.000) 2.050 20.627 ( 0.514 1.984 0.000) 2.050 20.650 ( -1.830 -1.894 0.000) 2.634 20.650 ( -1.830 1.894 0.000) 2.634 21.174 ( 5.787 -1.779 0.000) 6.054 21.174 ( 5.787 1.779 0.000) 6.054 21.272 ( -4.704 -2.108 0.000) 5.154 21.272 ( -4.704 2.108 0.000) 5.154 21.575 ( -1.251 -6.069 0.000) 6.197 21.575 ( -1.251 6.069 0.000) 6.197 21.577 ( -1.363 -4.718 0.000) 4.911 21.577 ( -1.363 4.718 0.000) 4.911 21.838 ( 2.017 -2.520 0.000) 3.228 21.838 ( 2.017 2.520 0.000) 3.228 21.856 ( -0.019 -1.835 0.000) 1.835 21.856 ( -0.019 1.835 0.000) 1.835 22.118 ( 1.703 -1.031 0.000) 1.991 22.118 ( 1.703 1.031 0.000) 1.991 22.138 ( -0.459 -1.977 0.000) 2.030 22.138 ( -0.459 1.977 0.000) 2.030 22.572 ( 1.313 -2.609 0.000) 2.921 22.572 ( 1.313 2.609 0.000) 2.921 22.590 ( -0.590 -2.923 0.000) 2.982 22.590 ( -0.590 2.923 0.000) 2.982 23.248 ( 0.390 -2.073 0.000) 2.109 23.248 ( 0.390 2.073 0.000) 2.109 23.259 ( -0.910 -1.829 0.000) 2.043 23.259 ( -0.910 1.829 0.000) 2.043 23.404 ( 1.817 -3.799 0.000) 4.211 23.404 ( 1.817 3.799 0.000) 4.211 23.438 ( -1.614 -4.734 0.000) 5.001 23.438 ( -1.614 4.734 0.000) 5.001 24.049 ( 1.781 -0.294 0.000) 1.805 24.049 ( 1.781 0.294 0.000) 1.805 24.082 ( -1.696 -1.636 0.000) 2.357 24.082 ( -1.696 1.636 0.000) 2.357 24.681 ( -0.165 -4.047 0.000) 4.051 24.681 ( -0.165 4.047 0.000) 4.051 24.682 ( -0.411 -4.193 0.000) 4.213 24.682 ( -0.411 4.193 0.000) 4.213 25.255 ( 2.328 -4.246 0.000) 4.842 25.255 ( 2.328 4.246 0.000) 4.842 25.295 ( -1.987 -5.038 0.000) 5.416 25.295 ( -1.987 5.038 0.000) 5.416 25.532 ( 0.755 -0.464 0.000) 0.886 25.532 ( 0.755 0.464 0.000) 0.886 25.550 ( -1.200 -0.440 0.000) 1.278 25.550 ( -1.200 0.440 0.000) 1.278 26.077 ( 2.690 -1.944 0.000) 3.319 26.077 ( 2.690 1.944 0.000) 3.319 26.127 ( -2.709 -2.199 0.000) 3.490 26.127 ( -2.709 2.199 0.000) 3.490 26.198 ( 0.387 -2.929 0.000) 2.954 26.198 ( 0.387 2.929 0.000) 2.954 26.204 ( -0.189 -3.218 0.000) 3.224 26.204 ( -0.189 3.218 0.000) 3.224 26.476 ( 0.754 -0.883 0.000) 1.161 26.476 ( 0.754 0.883 0.000) 1.161 26.489 ( -0.648 -1.046 0.000) 1.231 26.489 ( -0.648 1.046 0.000) 1.231 26.899 ( 0.738 -1.273 0.000) 1.472 26.899 ( 0.738 1.273 0.000) 1.472 26.913 ( -0.729 -1.305 0.000) 1.495 26.913 ( -0.729 1.305 0.000) 1.495 27.343 ( 0.773 -0.466 0.000) 0.903 27.343 ( 0.773 0.466 0.000) 0.903 27.357 ( -0.773 -0.762 0.000) 1.086 27.357 ( -0.773 0.762 0.000) 1.086 28.253 ( 0.995 -1.111 0.000) 1.492 28.253 ( 0.995 1.111 0.000) 1.492 28.271 ( -1.020 -1.372 0.000) 1.709 28.271 ( -1.020 1.372 0.000) 1.709 28.860 ( 0.049 -1.676 0.000) 1.677 28.860 ( 0.049 1.676 0.000) 1.677 28.862 ( -0.098 -1.678 0.000) 1.681 28.862 ( -0.098 1.678 0.000) 1.681 29.318 ( 0.171 -0.927 0.000) 0.942 29.318 ( 0.171 0.927 0.000) 0.942 29.322 ( -0.208 -1.158 0.000) 1.177 29.322 ( -0.208 1.158 0.000) 1.177 29.661 ( 0.513 -2.556 0.000) 2.607 29.661 ( 0.513 2.556 0.000) 2.607 29.669 ( -0.368 -2.937 0.000) 2.960 29.669 ( -0.368 2.937 0.000) 2.960 ======================= Grid point 45 (16/60) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 0.000 0.000 71.580) 71.580 1.512 ( 0.000 0.000 75.326) 75.326 2.607 ( 0.000 0.000 128.106) 128.106 3.423 ( 0.000 0.000 9.513) 9.513 3.918 ( 0.000 0.000 -2.026) 2.026 4.019 ( 0.000 0.000 -2.944) 2.944 4.143 ( 0.000 0.000 3.745) 3.745 5.135 ( 0.000 0.000 18.431) 18.431 5.204 ( 0.000 0.000 44.483) 44.483 6.413 ( 0.000 0.000 -23.819) 23.819 6.697 ( 0.000 0.000 -10.107) 10.107 6.703 ( 0.000 0.000 -40.093) 40.093 7.014 ( 0.000 0.000 3.439) 3.439 7.204 ( 0.000 0.000 -10.687) 10.687 7.915 ( 0.000 0.000 -32.891) 32.891 7.923 ( 0.000 0.000 -4.352) 4.352 8.111 ( 0.000 0.000 -13.912) 13.912 8.142 ( 0.000 0.000 12.904) 12.904 8.476 ( 0.000 0.000 -18.596) 18.596 8.579 ( 0.000 0.000 2.548) 2.548 8.644 ( 0.000 0.000 4.040) 4.040 8.788 ( 0.000 0.000 -1.476) 1.476 8.972 ( 0.000 0.000 32.336) 32.336 9.112 ( 0.000 0.000 16.570) 16.570 9.272 ( 0.000 0.000 -6.056) 6.056 9.510 ( 0.000 0.000 -2.144) 2.144 9.543 ( 0.000 0.000 -3.341) 3.341 9.655 ( 0.000 0.000 5.503) 5.503 9.681 ( 0.000 0.000 -1.460) 1.460 9.776 ( 0.000 0.000 30.359) 30.359 9.802 ( 0.000 0.000 -1.831) 1.831 9.952 ( 0.000 0.000 -5.097) 5.097 10.123 ( 0.000 0.000 30.150) 30.150 10.576 ( 0.000 0.000 -7.853) 7.853 10.959 ( 0.000 0.000 4.032) 4.032 11.066 ( 0.000 0.000 -0.499) 0.499 11.103 ( 0.000 0.000 3.451) 3.451 11.117 ( 0.000 0.000 -7.234) 7.234 11.234 ( 0.000 0.000 5.727) 5.727 11.558 ( 0.000 0.000 -2.925) 2.925 11.749 ( 0.000 0.000 -4.481) 4.481 12.122 ( 0.000 0.000 -25.373) 25.373 12.193 ( 0.000 0.000 12.827) 12.827 12.333 ( 0.000 0.000 -8.313) 8.313 12.489 ( 0.000 0.000 2.393) 2.393 12.731 ( 0.000 0.000 -7.717) 7.717 12.767 ( 0.000 0.000 -21.537) 21.537 13.012 ( 0.000 0.000 -33.518) 33.518 13.492 ( 0.000 0.000 -27.711) 27.711 13.494 ( 0.000 0.000 4.028) 4.028 13.720 ( 0.000 0.000 -5.827) 5.827 13.802 ( 0.000 0.000 -19.127) 19.127 13.867 ( 0.000 0.000 14.238) 14.238 13.921 ( 0.000 0.000 -11.128) 11.128 14.186 ( 0.000 0.000 -11.062) 11.062 14.429 ( 0.000 0.000 -7.565) 7.565 14.594 ( 0.000 0.000 9.947) 9.947 14.731 ( 0.000 0.000 9.635) 9.635 14.748 ( 0.000 0.000 -0.715) 0.715 15.152 ( 0.000 0.000 -13.696) 13.696 15.474 ( 0.000 0.000 -19.358) 19.358 15.691 ( 0.000 0.000 -6.852) 6.852 15.838 ( 0.000 0.000 -9.604) 9.604 15.948 ( 0.000 0.000 18.459) 18.459 16.081 ( 0.000 0.000 3.989) 3.989 16.254 ( 0.000 0.000 -8.946) 8.946 16.340 ( 0.000 0.000 10.581) 10.581 16.604 ( 0.000 0.000 22.593) 22.593 16.662 ( 0.000 0.000 14.844) 14.844 16.886 ( 0.000 0.000 15.803) 15.803 17.048 ( 0.000 0.000 11.508) 11.508 17.223 ( 0.000 0.000 7.568) 7.568 17.231 ( 0.000 0.000 6.750) 6.750 17.505 ( 0.000 0.000 -3.595) 3.595 17.536 ( 0.000 0.000 10.780) 10.780 17.546 ( 0.000 0.000 -3.523) 3.523 17.661 ( 0.000 0.000 9.410) 9.410 17.822 ( 0.000 0.000 10.793) 10.793 17.850 ( 0.000 0.000 -4.581) 4.581 17.953 ( 0.000 0.000 -8.329) 8.329 18.099 ( 0.000 0.000 -8.682) 8.682 18.487 ( 0.000 0.000 -12.195) 12.195 18.563 ( 0.000 0.000 -11.114) 11.114 18.633 ( 0.000 0.000 8.193) 8.193 18.678 ( 0.000 0.000 10.367) 10.367 18.777 ( 0.000 0.000 -8.246) 8.246 19.145 ( 0.000 0.000 12.839) 12.839 19.272 ( 0.000 0.000 13.370) 13.370 19.851 ( 0.000 0.000 -3.478) 3.478 20.035 ( 0.000 0.000 -0.911) 0.911 20.309 ( 0.000 0.000 3.640) 3.640 20.339 ( 0.000 0.000 4.192) 4.192 20.395 ( 0.000 0.000 6.899) 6.899 20.493 ( 0.000 0.000 -0.672) 0.672 20.791 ( 0.000 0.000 -7.577) 7.577 20.897 ( 0.000 0.000 3.241) 3.241 20.981 ( 0.000 0.000 -6.294) 6.294 21.058 ( 0.000 0.000 0.104) 0.104 21.086 ( 0.000 0.000 -1.595) 1.595 21.115 ( 0.000 0.000 -2.001) 2.001 21.140 ( 0.000 0.000 -0.730) 0.730 21.164 ( 0.000 0.000 0.669) 0.669 21.259 ( 0.000 0.000 -2.592) 2.592 21.283 ( 0.000 0.000 1.668) 1.668 21.380 ( 0.000 0.000 -3.633) 3.633 21.426 ( 0.000 0.000 13.062) 13.062 21.457 ( 0.000 0.000 -7.432) 7.432 21.583 ( 0.000 0.000 8.296) 8.296 21.601 ( 0.000 0.000 -12.907) 12.907 21.606 ( 0.000 0.000 0.703) 0.703 21.849 ( 0.000 0.000 -0.835) 0.835 21.945 ( 0.000 0.000 3.472) 3.472 22.098 ( 0.000 0.000 4.972) 4.972 22.122 ( 0.000 0.000 -0.645) 0.645 22.387 ( 0.000 0.000 3.178) 3.178 22.401 ( 0.000 0.000 2.289) 2.289 22.618 ( 0.000 0.000 -19.415) 19.415 22.728 ( 0.000 0.000 -15.632) 15.632 22.755 ( 0.000 0.000 -1.323) 1.323 22.795 ( 0.000 0.000 -6.673) 6.673 22.815 ( 0.000 0.000 -5.791) 5.791 22.825 ( 0.000 0.000 -5.728) 5.728 22.890 ( 0.000 0.000 -2.325) 2.325 22.934 ( 0.000 0.000 -9.641) 9.641 23.435 ( 0.000 0.000 -2.385) 2.385 23.486 ( 0.000 0.000 -0.443) 0.443 23.591 ( 0.000 0.000 7.212) 7.212 23.611 ( 0.000 0.000 11.260) 11.260 23.860 ( 0.000 0.000 -0.674) 0.674 23.951 ( 0.000 0.000 1.350) 1.350 24.161 ( 0.000 0.000 -4.146) 4.146 24.165 ( 0.000 0.000 22.424) 22.424 24.261 ( 0.000 0.000 -0.691) 0.691 24.322 ( 0.000 0.000 24.917) 24.917 25.005 ( 0.000 0.000 2.918) 2.918 25.119 ( 0.000 0.000 3.035) 3.035 25.316 ( 0.000 0.000 -1.406) 1.406 25.338 ( 0.000 0.000 -1.207) 1.207 25.371 ( 0.000 0.000 -2.148) 2.148 25.438 ( 0.000 0.000 2.963) 2.963 25.473 ( 0.000 0.000 -3.216) 3.216 25.513 ( 0.000 0.000 2.828) 2.828 25.568 ( 0.000 0.000 3.149) 3.149 25.683 ( 0.000 0.000 -3.834) 3.834 25.836 ( 0.000 0.000 -2.476) 2.476 25.870 ( 0.000 0.000 0.189) 0.189 26.054 ( 0.000 0.000 2.322) 2.322 26.153 ( 0.000 0.000 3.312) 3.312 26.187 ( 0.000 0.000 -8.166) 8.166 26.264 ( 0.000 0.000 -1.654) 1.654 26.282 ( 0.000 0.000 -1.697) 1.697 26.347 ( 0.000 0.000 -10.264) 10.264 26.460 ( 0.000 0.000 3.254) 3.254 26.533 ( 0.000 0.000 2.387) 2.387 26.547 ( 0.000 0.000 0.202) 0.202 26.562 ( 0.000 0.000 2.231) 2.231 26.698 ( 0.000 0.000 0.698) 0.698 26.731 ( 0.000 0.000 0.953) 0.953 26.800 ( 0.000 0.000 -2.451) 2.451 26.889 ( 0.000 0.000 -5.348) 5.348 27.259 ( 0.000 0.000 0.838) 0.838 27.361 ( 0.000 0.000 -1.178) 1.178 27.395 ( 0.000 0.000 0.238) 0.238 27.430 ( 0.000 0.000 -1.361) 1.361 28.257 ( 0.000 0.000 -0.215) 0.215 28.304 ( 0.000 0.000 -0.784) 0.784 28.391 ( 0.000 0.000 -0.405) 0.405 28.410 ( 0.000 0.000 -0.792) 0.792 28.816 ( 0.000 0.000 1.554) 1.554 28.898 ( 0.000 0.000 2.101) 2.101 28.903 ( 0.000 0.000 1.219) 1.219 28.968 ( 0.000 0.000 1.068) 1.068 29.154 ( 0.000 0.000 -0.357) 0.357 29.232 ( 0.000 0.000 -1.058) 1.058 29.250 ( 0.000 0.000 -1.705) 1.705 29.274 ( 0.000 0.000 -0.940) 0.940 29.726 ( 0.000 0.000 2.275) 2.275 29.831 ( 0.000 0.000 1.908) 1.908 29.976 ( 0.000 0.000 -1.537) 1.537 30.042 ( 0.000 0.000 -1.288) 1.288 ======================= Grid point 46 (17/60) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 36.414 0.000 54.918) 65.894 2.100 ( 50.137 0.000 57.611) 76.372 3.308 ( 70.857 0.000 95.848) 119.195 3.367 ( -6.751 0.000 11.405) 13.253 3.926 ( 0.805 0.000 -2.019) 2.174 4.008 ( -1.212 0.000 -2.803) 3.054 4.174 ( 3.517 0.000 4.537) 5.740 4.845 ( -35.252 0.000 41.824) 54.698 4.954 ( -18.258 0.000 17.549) 25.324 6.438 ( 3.584 0.000 -21.465) 21.762 6.790 ( 9.435 0.000 -38.790) 39.921 6.926 ( 0.024 0.000 -2.565) 2.565 6.949 ( 9.774 0.000 -4.694) 10.842 7.269 ( 6.785 0.000 -10.107) 12.174 7.742 ( -16.871 0.000 -32.664) 36.764 7.756 ( -34.920 0.000 -2.402) 35.003 7.938 ( -2.965 0.000 -9.100) 9.570 8.354 ( 22.241 0.000 11.408) 24.996 8.466 ( -9.592 0.000 -29.886) 31.387 8.660 ( 9.992 0.000 6.080) 11.696 8.671 ( 1.429 0.000 4.556) 4.775 8.954 ( 13.901 0.000 -3.105) 14.243 9.044 ( 6.300 0.000 30.149) 30.800 9.045 ( -14.015 0.000 21.697) 25.830 9.129 ( -6.549 0.000 9.788) 11.777 9.472 ( -8.627 0.000 7.768) 11.609 9.485 ( -2.318 0.000 -0.325) 2.341 9.634 ( -3.429 0.000 -2.574) 4.287 9.747 ( 6.875 0.000 -1.496) 7.036 9.750 ( -3.755 0.000 11.647) 12.237 9.782 ( -1.128 0.000 17.325) 17.362 9.824 ( 4.749 0.000 5.000) 6.896 10.113 ( 7.615 0.000 -1.606) 7.783 10.498 ( -16.371 0.000 -0.951) 16.399 10.835 ( -14.897 0.000 11.629) 18.898 10.836 ( -3.110 0.000 -2.615) 4.063 10.932 ( -15.017 0.000 -6.020) 16.179 11.072 ( -3.721 0.000 3.322) 4.988 11.388 ( -2.101 0.000 -0.864) 2.271 11.654 ( 6.204 0.000 -4.684) 7.774 11.894 ( -2.828 0.000 -13.061) 13.364 12.108 ( 21.451 0.000 10.019) 23.675 12.216 ( -35.410 0.000 -11.345) 37.183 12.363 ( 6.391 0.000 -11.703) 13.335 12.510 ( 26.243 0.000 -1.637) 26.294 12.617 ( 13.042 0.000 0.233) 13.045 12.914 ( 2.406 0.000 -29.368) 29.466 13.021 ( -1.370 0.000 -29.164) 29.196 13.502 ( -1.767 0.000 -20.817) 20.892 13.563 ( 7.289 0.000 3.391) 8.039 13.584 ( -12.359 0.000 -10.218) 16.036 13.748 ( 0.940 0.000 3.124) 3.263 13.933 ( -3.217 0.000 -17.297) 17.593 14.047 ( 11.558 0.000 -13.502) 17.774 14.202 ( -0.928 0.000 -5.740) 5.815 14.417 ( -1.478 0.000 -7.997) 8.132 14.545 ( -4.296 0.000 4.008) 5.876 14.682 ( -4.807 0.000 4.931) 6.886 14.790 ( 4.253 0.000 7.693) 8.790 15.103 ( -4.016 0.000 -5.990) 7.212 15.573 ( 7.192 0.000 -20.933) 22.134 15.694 ( 1.223 0.000 -8.116) 8.207 15.900 ( 6.304 0.000 -9.241) 11.187 16.034 ( 8.557 0.000 16.206) 18.326 16.145 ( 6.447 0.000 6.138) 8.901 16.289 ( 1.417 0.000 -10.464) 10.560 16.346 ( 0.486 0.000 10.193) 10.205 16.610 ( 0.799 0.000 22.598) 22.613 16.621 ( -4.448 0.000 15.058) 15.701 16.867 ( -2.251 0.000 15.526) 15.688 17.044 ( -0.110 0.000 10.932) 10.933 17.195 ( -2.692 0.000 9.102) 9.492 17.201 ( -3.162 0.000 6.733) 7.438 17.405 ( -9.519 0.000 6.964) 11.795 17.516 ( 1.176 0.000 -3.241) 3.448 17.594 ( 0.637 0.000 -0.469) 0.791 17.669 ( 0.861 0.000 9.572) 9.611 17.796 ( -2.533 0.000 10.121) 10.433 17.860 ( 1.024 0.000 -4.177) 4.301 17.945 ( -0.950 0.000 -7.133) 7.196 18.128 ( 3.240 0.000 -9.425) 9.967 18.437 ( -4.868 0.000 -11.167) 12.182 18.585 ( 2.317 0.000 -10.874) 11.119 18.647 ( 1.150 0.000 7.559) 7.646 18.678 ( -0.010 0.000 10.008) 10.008 18.757 ( -2.132 0.000 -8.686) 8.944 19.164 ( 1.935 0.000 12.626) 12.773 19.271 ( -0.515 0.000 12.589) 12.600 19.878 ( 2.730 0.000 -3.578) 4.501 20.028 ( -0.883 0.000 -1.578) 1.808 20.327 ( 1.906 0.000 3.171) 3.700 20.344 ( 0.580 0.000 4.460) 4.498 20.390 ( -0.565 0.000 6.651) 6.675 20.475 ( -1.882 0.000 -0.246) 1.898 20.798 ( 0.798 0.000 -7.421) 7.464 20.920 ( 2.537 0.000 2.114) 3.302 20.955 ( -2.810 0.000 -7.647) 8.147 21.057 ( -0.044 0.000 1.623) 1.624 21.080 ( -0.199 0.000 -1.535) 1.548 21.123 ( -0.812 0.000 -1.652) 1.841 21.154 ( 2.825 0.000 -0.814) 2.940 21.188 ( 2.242 0.000 0.603) 2.321 21.261 ( 0.260 0.000 -2.443) 2.456 21.314 ( 3.012 0.000 1.501) 3.365 21.367 ( -1.489 0.000 -1.268) 1.955 21.432 ( 0.691 0.000 12.810) 12.829 21.465 ( 1.209 0.000 -10.169) 10.240 21.557 ( -2.553 0.000 9.114) 9.464 21.577 ( -2.957 0.000 -1.095) 3.153 21.588 ( -1.588 0.000 -11.053) 11.166 21.886 ( 3.562 0.000 -0.786) 3.648 21.930 ( -0.340 0.000 4.833) 4.845 22.066 ( -3.164 0.000 4.764) 5.719 22.107 ( -1.736 0.000 -0.013) 1.736 22.389 ( 0.213 0.000 3.303) 3.310 22.405 ( 0.191 0.000 2.303) 2.311 22.626 ( 0.804 0.000 -18.964) 18.981 22.707 ( -1.781 0.000 -15.107) 15.212 22.760 ( 1.137 0.000 -1.054) 1.551 22.807 ( 0.801 0.000 -7.143) 7.187 22.817 ( 0.267 0.000 -6.794) 6.799 22.830 ( 0.356 0.000 -5.076) 5.089 22.885 ( -0.338 0.000 -3.842) 3.857 22.932 ( -0.417 0.000 -9.003) 9.013 23.436 ( 0.888 0.000 0.143) 0.900 23.533 ( 3.972 0.000 -0.562) 4.011 23.594 ( -1.523 0.000 8.994) 9.122 23.621 ( 3.082 0.000 6.439) 7.139 23.827 ( -3.416 0.000 -0.881) 3.528 23.909 ( -4.389 0.000 1.761) 4.729 24.170 ( 0.999 0.000 -3.503) 3.643 24.180 ( 1.565 0.000 22.922) 22.976 24.252 ( -0.997 0.000 -0.799) 1.277 24.305 ( -1.757 0.000 24.971) 25.032 25.011 ( 0.675 0.000 2.945) 3.022 25.101 ( -1.802 0.000 3.035) 3.529 25.325 ( 0.882 0.000 -1.586) 1.814 25.341 ( 0.318 0.000 -1.486) 1.519 25.380 ( 0.915 0.000 -2.211) 2.393 25.443 ( 0.514 0.000 2.687) 2.736 25.461 ( -1.043 0.000 -2.638) 2.837 25.507 ( -0.737 0.000 2.761) 2.857 25.578 ( 1.148 0.000 0.384) 1.210 25.703 ( 1.196 0.000 -0.678) 1.374 25.778 ( -2.757 0.000 -2.102) 3.467 25.897 ( 0.248 0.000 1.744) 1.762 26.062 ( 1.139 0.000 0.749) 1.363 26.150 ( -0.378 0.000 2.683) 2.710 26.207 ( 2.093 0.000 -8.399) 8.656 26.262 ( 0.058 0.000 -1.744) 1.745 26.289 ( 0.381 0.000 -1.410) 1.460 26.336 ( -1.232 0.000 -10.085) 10.160 26.464 ( 0.393 0.000 2.958) 2.984 26.533 ( -1.486 0.000 0.501) 1.568 26.537 ( 0.427 0.000 2.332) 2.371 26.560 ( -0.177 0.000 2.213) 2.220 26.701 ( 0.307 0.000 0.747) 0.808 26.727 ( -0.347 0.000 0.956) 1.017 26.809 ( 0.940 0.000 -2.622) 2.785 26.877 ( -0.979 0.000 -4.487) 4.592 27.269 ( 1.000 0.000 0.632) 1.183 27.360 ( -0.523 0.000 -1.209) 1.317 27.387 ( -0.740 0.000 0.476) 0.880 27.408 ( -1.037 0.000 -0.010) 1.037 28.258 ( 0.110 0.000 -0.309) 0.328 28.295 ( -0.888 0.000 -0.768) 1.174 28.396 ( 0.427 0.000 -0.410) 0.592 28.412 ( 0.081 0.000 -0.722) 0.727 28.823 ( 0.711 0.000 1.238) 1.428 28.887 ( -1.031 0.000 1.817) 2.089 28.910 ( 0.705 0.000 1.338) 1.513 28.962 ( -0.563 0.000 1.276) 1.395 29.165 ( 1.118 0.000 -0.451) 1.205 29.223 ( -0.209 0.000 -0.481) 0.525 29.244 ( -0.609 0.000 -1.450) 1.573 29.272 ( -0.565 0.000 -1.129) 1.262 29.735 ( 1.013 0.000 2.232) 2.452 29.820 ( -1.124 0.000 1.922) 2.226 29.983 ( 0.764 0.000 -1.491) 1.675 30.036 ( -0.588 0.000 -1.306) 1.432 ======================= Grid point 47 (18/60) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 38.162 0.000 34.299) 51.310 3.073 ( 54.723 0.000 48.269) 72.969 3.129 ( -21.130 0.000 19.265) 28.594 3.948 ( 1.553 0.000 -2.124) 2.632 3.979 ( -1.786 0.000 -2.456) 3.036 4.037 ( -49.418 0.000 42.872) 65.423 4.290 ( 10.188 0.000 7.667) 12.751 4.572 ( -20.460 0.000 13.639) 24.589 4.872 ( 91.724 0.000 52.123) 105.500 6.433 ( -52.443 0.000 8.484) 53.125 6.618 ( -16.103 0.000 -1.074) 16.139 6.757 ( -11.561 0.000 -5.496) 12.801 7.036 ( 17.067 0.000 -36.034) 39.872 7.372 ( 10.157 0.000 2.885) 10.559 7.386 ( -20.578 0.000 -33.531) 39.342 7.427 ( 5.255 0.000 -2.454) 5.800 7.923 ( 2.507 0.000 -20.089) 20.245 8.134 ( -19.613 0.000 -31.774) 37.339 8.691 ( 1.753 0.000 7.257) 7.465 8.776 ( -8.873 0.000 12.654) 15.455 8.815 ( 19.221 0.000 7.434) 20.609 8.910 ( 13.988 0.000 11.063) 17.834 9.119 ( 6.031 0.000 18.069) 19.049 9.184 ( 6.126 0.000 11.195) 12.761 9.197 ( 8.945 0.000 -3.260) 9.520 9.303 ( -7.158 0.000 10.301) 12.544 9.458 ( 1.034 0.000 7.747) 7.816 9.645 ( -9.067 0.000 10.193) 13.642 9.769 ( 0.478 0.000 21.762) 21.767 9.791 ( 10.511 0.000 -3.231) 10.997 9.886 ( 0.648 0.000 0.451) 0.789 9.944 ( 13.558 0.000 -1.163) 13.607 9.979 ( -29.596 0.000 10.267) 31.326 10.169 ( -5.857 0.000 -0.227) 5.861 10.622 ( -4.945 0.000 2.857) 5.711 10.693 ( -10.111 0.000 1.902) 10.289 11.027 ( 21.295 0.000 -12.308) 24.596 11.069 ( 4.917 0.000 -1.361) 5.102 11.230 ( -11.071 0.000 -3.459) 11.599 11.554 ( -34.913 0.000 -12.887) 37.215 11.743 ( 4.247 0.000 -3.069) 5.240 11.822 ( -4.473 0.000 -4.728) 6.509 12.397 ( 10.633 0.000 -11.436) 15.616 12.480 ( 2.594 0.000 -3.767) 4.573 12.886 ( 15.518 0.000 2.712) 15.753 12.943 ( 1.465 0.000 -32.509) 32.542 12.978 ( -2.432 0.000 -31.701) 31.794 13.044 ( 13.975 0.000 -13.653) 19.537 13.336 ( 0.143 0.000 12.796) 12.797 13.524 ( -4.654 0.000 -30.265) 30.621 13.685 ( 5.011 0.000 4.900) 7.009 13.742 ( -1.541 0.000 5.517) 5.728 13.826 ( -0.287 0.000 -24.198) 24.199 14.047 ( -16.705 0.000 -8.495) 18.741 14.247 ( 9.090 0.000 -11.260) 14.471 14.367 ( -4.325 0.000 -9.243) 10.205 14.515 ( 2.561 0.000 1.991) 3.244 14.592 ( -4.888 0.000 4.317) 6.521 14.898 ( 7.042 0.000 8.472) 11.017 15.018 ( -5.619 0.000 2.881) 6.314 15.677 ( 4.297 0.000 -16.386) 16.940 15.719 ( 0.093 0.000 -14.105) 14.106 16.052 ( 9.966 0.000 -7.196) 12.293 16.203 ( 8.140 0.000 10.179) 13.034 16.230 ( -8.062 0.000 -6.975) 10.660 16.265 ( 3.380 0.000 10.562) 11.090 16.366 ( 3.838 0.000 11.270) 11.906 16.503 ( -8.231 0.000 15.437) 17.494 16.675 ( 6.654 0.000 18.653) 19.805 16.799 ( -5.529 0.000 15.511) 16.467 17.060 ( 2.238 0.000 9.178) 9.447 17.126 ( -4.556 0.000 7.312) 8.615 17.160 ( 0.048 0.000 11.929) 11.929 17.231 ( -7.874 0.000 10.526) 13.145 17.546 ( 1.940 0.000 -2.809) 3.414 17.581 ( -1.674 0.000 -2.179) 2.748 17.695 ( 2.051 0.000 9.897) 10.107 17.742 ( -3.039 0.000 10.054) 10.504 17.886 ( 1.709 0.000 -4.627) 4.933 17.919 ( -1.790 0.000 -5.565) 5.846 18.213 ( 5.853 0.000 -10.305) 11.851 18.329 ( -6.578 0.000 -10.681) 12.544 18.640 ( 3.486 0.000 -10.463) 11.028 18.665 ( 0.810 0.000 8.081) 8.121 18.676 ( -0.317 0.000 9.124) 9.130 18.705 ( -3.434 0.000 -9.654) 10.246 19.208 ( 2.540 0.000 12.256) 12.517 19.249 ( -1.835 0.000 12.208) 12.345 19.939 ( 3.610 0.000 -3.596) 5.095 19.998 ( -2.559 0.000 -2.919) 3.882 20.358 ( 0.924 0.000 5.153) 5.235 20.373 ( 3.033 0.000 2.108) 3.694 20.376 ( -0.914 0.000 5.990) 6.059 20.430 ( -2.936 0.000 0.820) 3.048 20.827 ( 2.561 0.000 -7.664) 8.080 20.889 ( -3.930 0.000 -7.919) 8.840 20.983 ( 3.862 0.000 0.856) 3.955 21.041 ( -2.092 0.000 1.334) 2.482 21.084 ( 0.590 0.000 -1.391) 1.511 21.101 ( -1.234 0.000 -1.346) 1.826 21.224 ( 4.411 0.000 -0.508) 4.440 21.232 ( 2.289 0.000 0.538) 2.351 21.261 ( -0.682 0.000 -1.275) 1.446 21.303 ( -3.904 0.000 0.083) 3.904 21.404 ( 5.160 0.000 0.835) 5.227 21.454 ( 1.871 0.000 11.495) 11.646 21.498 ( -1.473 0.000 -6.098) 6.274 21.502 ( -3.184 0.000 10.295) 10.776 21.505 ( -1.016 0.000 -5.492) 5.585 21.550 ( -2.539 0.000 -12.416) 12.673 21.937 ( 2.385 0.000 3.081) 3.896 21.977 ( 4.649 0.000 1.785) 4.980 21.998 ( -3.842 0.000 4.578) 5.977 22.058 ( -3.697 0.000 0.885) 3.801 22.395 ( 0.430 0.000 3.352) 3.379 22.403 ( -0.363 0.000 2.892) 2.915 22.646 ( 1.362 0.000 -17.676) 17.729 22.674 ( -1.715 0.000 -16.029) 16.121 22.793 ( 2.067 0.000 -1.840) 2.768 22.817 ( 0.370 0.000 -7.124) 7.134 22.821 ( 0.008 0.000 -7.932) 7.932 22.825 ( -1.153 0.000 -2.841) 3.066 22.890 ( 1.099 0.000 -7.063) 7.148 22.915 ( -1.337 0.000 -8.182) 8.290 23.473 ( 2.994 0.000 3.710) 4.768 23.533 ( -3.173 0.000 7.252) 7.916 23.640 ( 5.636 0.000 -1.984) 5.975 23.699 ( 5.397 0.000 4.924) 7.306 23.744 ( -5.437 0.000 -1.507) 5.642 23.808 ( -6.202 0.000 3.128) 6.946 24.195 ( 1.655 0.000 -2.359) 2.881 24.217 ( 2.432 0.000 24.036) 24.158 24.226 ( -1.668 0.000 -1.338) 2.138 24.264 ( -2.586 0.000 24.824) 24.959 25.030 ( 1.472 0.000 3.000) 3.342 25.063 ( -2.094 0.000 3.037) 3.689 25.341 ( 0.638 0.000 -1.889) 1.994 25.346 ( 0.065 0.000 -1.894) 1.895 25.402 ( 1.484 0.000 -2.346) 2.776 25.431 ( -1.579 0.000 -2.326) 2.811 25.464 ( 1.162 0.000 2.712) 2.950 25.488 ( -1.271 0.000 2.823) 3.096 25.612 ( 2.612 0.000 -1.686) 3.108 25.670 ( -3.519 0.000 -1.877) 3.988 25.800 ( 3.664 0.000 1.881) 4.119 25.867 ( -3.133 0.000 3.165) 4.453 26.097 ( 2.330 0.000 -0.305) 2.350 26.134 ( -1.525 0.000 0.917) 1.779 26.254 ( 2.861 0.000 -8.965) 9.411 26.272 ( 0.930 0.000 -1.393) 1.676 26.288 ( -0.585 0.000 -1.281) 1.409 26.303 ( -2.341 0.000 -9.603) 9.884 26.476 ( 0.975 0.000 2.346) 2.541 26.501 ( -1.733 0.000 1.369) 2.208 26.546 ( 0.547 0.000 2.236) 2.302 26.555 ( -0.395 0.000 2.195) 2.230 26.709 ( 0.525 0.000 0.853) 1.002 26.719 ( -0.550 0.000 0.935) 1.085 26.832 ( 1.433 0.000 -3.099) 3.414 26.857 ( -1.276 0.000 -3.742) 3.953 27.295 ( 1.847 0.000 0.193) 1.857 27.332 ( -2.085 0.000 -0.275) 2.103 27.386 ( 0.458 0.000 -0.115) 0.472 27.396 ( -0.542 0.000 -0.184) 0.573 28.263 ( 0.522 0.000 -0.508) 0.728 28.277 ( -0.972 0.000 -0.681) 1.187 28.404 ( 0.478 0.000 -0.461) 0.664 28.411 ( -0.196 0.000 -0.581) 0.613 28.840 ( 1.158 0.000 1.278) 1.724 28.864 ( -1.392 0.000 1.517) 2.058 28.927 ( 1.139 0.000 1.389) 1.797 28.948 ( -1.020 0.000 1.437) 1.762 29.191 ( 1.623 0.000 -0.735) 1.781 29.217 ( -1.036 0.000 -1.187) 1.576 29.238 ( 0.520 0.000 -0.717) 0.885 29.255 ( -1.097 0.000 -0.976) 1.468 29.761 ( 1.680 0.000 2.123) 2.707 29.793 ( -1.743 0.000 1.997) 2.651 30.001 ( 1.138 0.000 -1.414) 1.815 30.021 ( -1.033 0.000 -1.352) 1.701 ======================= Grid point 50 (19/60) ======================= q-point: ( 0.00 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 0.000 45.473 54.599) 71.055 2.343 ( 0.000 60.005 48.285) 77.020 3.379 ( 0.000 65.021 83.673) 105.967 3.596 ( 0.000 14.705 9.082) 17.283 3.977 ( 0.000 5.605 -1.452) 5.790 4.058 ( 0.000 3.319 -2.406) 4.099 4.581 ( 0.000 25.427 -12.437) 28.306 5.328 ( 0.000 21.468 27.084) 34.560 5.711 ( 0.000 43.706 28.386) 52.115 6.469 ( 0.000 5.383 -18.735) 19.493 6.636 ( 0.000 -2.759 -13.843) 14.116 6.876 ( 0.000 6.429 -15.781) 17.040 7.095 ( 0.000 15.119 -14.729) 21.108 7.266 ( 0.000 6.025 -12.057) 13.478 7.817 ( 0.000 -8.895 -9.121) 12.741 7.905 ( 0.000 -1.435 -3.695) 3.964 8.227 ( 0.000 6.082 10.909) 12.490 8.248 ( 0.000 8.333 -25.573) 26.896 8.439 ( 0.000 -4.183 -16.357) 16.883 8.486 ( 0.000 -8.338 2.650) 8.749 8.564 ( 0.000 -4.373 11.687) 12.479 8.916 ( 0.000 9.596 -0.562) 9.612 8.984 ( 0.000 2.240 21.470) 21.587 9.152 ( 0.000 5.524 13.406) 14.499 9.336 ( 0.000 3.865 -0.003) 3.865 9.554 ( 0.000 7.036 -6.426) 9.529 9.559 ( 0.000 -8.399 7.400) 11.194 9.680 ( 0.000 1.141 -0.060) 1.143 9.808 ( 0.000 25.146 -1.474) 25.189 9.953 ( 0.000 15.135 19.448) 24.643 9.956 ( 0.000 5.803 -5.603) 8.067 9.996 ( 0.000 13.667 -1.970) 13.808 10.472 ( 0.000 27.076 21.466) 34.553 10.580 ( 0.000 2.083 -3.518) 4.089 10.733 ( 0.000 -10.947 0.668) 10.967 10.885 ( 0.000 -8.935 10.432) 13.736 11.122 ( 0.000 0.568 -8.128) 8.148 11.194 ( 0.000 -3.224 7.266) 7.949 11.331 ( 0.000 14.070 3.382) 14.471 11.522 ( 0.000 -3.140 -3.976) 5.067 11.637 ( 0.000 -9.954 -4.346) 10.862 12.051 ( 0.000 -6.672 -28.632) 29.399 12.071 ( 0.000 -4.759 18.070) 18.686 12.219 ( 0.000 -10.257 -6.834) 12.325 12.532 ( 0.000 2.836 -4.616) 5.418 12.668 ( 0.000 -9.757 -20.287) 22.512 12.693 ( 0.000 -3.941 -4.032) 5.638 12.899 ( 0.000 -9.865 -22.975) 25.003 13.374 ( 0.000 -9.933 -18.818) 21.279 13.427 ( 0.000 -7.674 0.570) 7.695 13.603 ( 0.000 -9.525 -1.029) 9.580 13.800 ( 0.000 -7.738 -6.324) 9.994 13.809 ( 0.000 -0.187 -7.432) 7.434 14.074 ( 0.000 7.452 7.987) 10.924 14.134 ( 0.000 -5.028 -10.473) 11.617 14.289 ( 0.000 -11.346 -5.643) 12.672 14.689 ( 0.000 7.193 3.295) 7.912 14.731 ( 0.000 2.646 6.602) 7.112 14.778 ( 0.000 -0.395 3.092) 3.117 15.177 ( 0.000 2.392 -13.716) 13.923 15.466 ( 0.000 -0.838 -16.574) 16.595 15.635 ( 0.000 -4.488 -6.395) 7.813 15.837 ( 0.000 0.275 -11.509) 11.512 16.019 ( 0.000 6.219 16.603) 17.729 16.054 ( 0.000 -1.224 -2.602) 2.875 16.255 ( 0.000 1.407 -1.312) 1.924 16.420 ( 0.000 2.534 10.504) 10.805 16.589 ( 0.000 3.807 13.064) 13.608 16.720 ( 0.000 4.058 12.980) 13.600 16.766 ( 0.000 -8.182 13.215) 15.543 17.060 ( 0.000 -7.584 9.863) 12.442 17.185 ( 0.000 9.062 13.072) 15.906 17.342 ( 0.000 0.318 2.845) 2.863 17.400 ( 0.000 -9.584 -3.942) 10.363 17.432 ( 0.000 -3.712 6.636) 7.604 17.441 ( 0.000 -9.246 -3.656) 9.943 17.817 ( 0.000 -3.340 -2.518) 4.183 17.839 ( 0.000 11.789 4.038) 12.461 17.895 ( 0.000 -5.649 -5.005) 7.547 17.909 ( 0.000 8.616 4.576) 9.756 18.083 ( 0.000 -1.772 -9.013) 9.185 18.370 ( 0.000 -8.347 -10.709) 13.578 18.645 ( 0.000 4.696 -11.753) 12.657 18.717 ( 0.000 7.745 8.275) 11.335 18.753 ( 0.000 6.667 9.170) 11.337 18.806 ( 0.000 2.383 -10.114) 10.391 19.190 ( 0.000 4.831 15.845) 16.565 19.323 ( 0.000 5.155 16.654) 17.434 19.829 ( 0.000 -1.856 -4.519) 4.885 19.991 ( 0.000 -4.789 -3.149) 5.731 20.257 ( 0.000 -7.152 2.306) 7.515 20.267 ( 0.000 -3.779 3.421) 5.097 20.369 ( 0.000 -2.253 4.797) 5.300 20.467 ( 0.000 -2.435 -0.831) 2.573 20.696 ( 0.000 -10.052 -6.636) 12.045 20.873 ( 0.000 -9.121 -7.508) 11.814 20.884 ( 0.000 -1.345 2.941) 3.234 21.001 ( 0.000 -3.898 -0.134) 3.901 21.037 ( 0.000 -4.431 -1.642) 4.725 21.110 ( 0.000 -2.966 -0.552) 3.017 21.111 ( 0.000 -3.292 -3.056) 4.492 21.190 ( 0.000 1.849 0.779) 2.006 21.253 ( 0.000 4.107 2.435) 4.775 21.303 ( 0.000 2.670 1.678) 3.154 21.401 ( 0.000 -1.155 12.671) 12.724 21.450 ( 0.000 4.282 1.942) 4.702 21.568 ( 0.000 0.073 5.802) 5.802 21.592 ( 0.000 -0.980 0.999) 1.400 21.604 ( 0.000 9.484 -8.157) 12.509 21.671 ( 0.000 5.361 -11.467) 12.658 21.849 ( 0.000 0.031 -0.691) 0.692 21.903 ( 0.000 -2.274 4.157) 4.738 22.053 ( 0.000 -3.717 3.266) 4.948 22.098 ( 0.000 -2.420 -0.460) 2.463 22.354 ( 0.000 -3.114 3.926) 5.011 22.377 ( 0.000 -2.114 2.642) 3.383 22.624 ( 0.000 -0.425 -15.242) 15.248 22.679 ( 0.000 -4.111 -5.382) 6.772 22.687 ( 0.000 -5.412 -6.357) 8.349 22.748 ( 0.000 -3.989 -6.118) 7.304 22.808 ( 0.000 4.894 -10.744) 11.806 22.909 ( 0.000 2.357 -4.049) 4.685 22.944 ( 0.000 5.592 -6.911) 8.890 23.004 ( 0.000 5.005 -8.718) 10.053 23.448 ( 0.000 1.175 -0.547) 1.296 23.511 ( 0.000 1.968 -0.329) 1.995 23.582 ( 0.000 -0.623 6.998) 7.026 23.594 ( 0.000 -1.788 12.036) 12.168 23.895 ( 0.000 3.025 -0.381) 3.049 23.961 ( 0.000 1.016 1.494) 1.807 24.065 ( 0.000 -3.716 8.307) 9.100 24.124 ( 0.000 -4.091 7.769) 8.780 24.334 ( 0.000 7.876 9.562) 12.388 24.470 ( 0.000 7.839 11.576) 13.981 24.967 ( 0.000 -3.511 2.230) 4.159 25.064 ( 0.000 -4.708 2.732) 5.443 25.282 ( 0.000 -2.980 -1.156) 3.196 25.312 ( 0.000 -2.191 -0.186) 2.198 25.388 ( 0.000 1.405 -2.087) 2.516 25.454 ( 0.000 1.383 2.122) 2.533 25.497 ( 0.000 1.719 -2.686) 3.189 25.519 ( 0.000 0.366 1.244) 1.296 25.540 ( 0.000 -2.489 2.826) 3.766 25.716 ( 0.000 3.698 -2.277) 4.343 25.771 ( 0.000 -5.639 -2.197) 6.052 25.884 ( 0.000 1.631 0.017) 1.631 26.032 ( 0.000 -1.399 0.564) 1.508 26.156 ( 0.000 0.394 3.322) 3.345 26.238 ( 0.000 3.299 -6.049) 6.890 26.255 ( 0.000 -0.851 -0.799) 1.167 26.269 ( 0.000 -0.786 -3.547) 3.633 26.327 ( 0.000 -1.499 -5.822) 6.012 26.484 ( 0.000 1.640 0.889) 1.865 26.525 ( 0.000 -1.349 1.300) 1.873 26.526 ( 0.000 -1.897 0.376) 1.934 26.559 ( 0.000 -0.610 1.789) 1.890 26.726 ( 0.000 2.613 0.813) 2.737 26.755 ( 0.000 2.210 1.171) 2.501 26.818 ( 0.000 1.827 -2.090) 2.776 26.880 ( 0.000 -0.310 -4.167) 4.178 27.273 ( 0.000 1.257 0.864) 1.526 27.365 ( 0.000 0.310 -0.998) 1.045 27.390 ( 0.000 -0.454 0.274) 0.530 27.403 ( 0.000 -1.400 0.350) 1.443 28.253 ( 0.000 -0.316 -0.342) 0.465 28.296 ( 0.000 -0.935 -1.009) 1.375 28.379 ( 0.000 -1.163 -0.705) 1.360 28.383 ( 0.000 -2.516 -0.752) 2.626 28.818 ( 0.000 0.228 1.292) 1.312 28.890 ( 0.000 -0.708 1.979) 2.102 28.907 ( 0.000 0.385 0.729) 0.824 28.974 ( 0.000 0.412 1.139) 1.212 29.173 ( 0.000 1.845 -0.435) 1.895 29.205 ( 0.000 -1.546 -0.043) 1.547 29.239 ( 0.000 -0.748 -1.509) 1.684 29.278 ( 0.000 0.366 -0.948) 1.016 29.716 ( 0.000 -1.030 2.043) 2.288 29.812 ( 0.000 -1.848 1.748) 2.543 29.946 ( 0.000 -2.812 -1.413) 3.147 30.000 ( 0.000 -3.967 -1.102) 4.117 ======================= Grid point 51 (20/60) ======================= q-point: ( 0.20 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( 42.603 37.293 41.046) 69.932 2.605 ( 26.329 53.521 39.841) 71.729 3.560 ( -1.927 14.958 7.136) 16.685 3.783 ( 27.656 29.756 51.544) 65.628 4.042 ( 1.521 5.461 -0.492) 5.690 4.084 ( 17.131 20.366 15.068) 30.583 4.540 ( 2.510 32.037 4.229) 32.412 5.029 ( -30.400 20.827 30.447) 47.801 5.431 ( -26.201 40.402 20.745) 52.433 6.456 ( 1.305 2.038 -19.255) 19.407 6.836 ( 1.162 -0.185 -7.938) 8.024 6.913 ( 13.684 -1.487 -4.267) 14.410 7.071 ( -0.247 15.225 -22.715) 27.346 7.345 ( 7.532 9.736 -13.501) 18.270 7.641 ( -22.715 -4.615 -1.455) 23.224 7.880 ( -3.643 -0.671 -10.500) 11.135 8.028 ( -18.776 14.544 -22.704) 32.856 8.293 ( -5.352 -7.942 -14.027) 16.984 8.417 ( 9.968 -0.732 5.934) 11.624 8.538 ( 7.714 -8.780 8.908) 14.695 8.703 ( 5.711 -5.946 5.827) 10.096 8.972 ( -0.867 6.019 8.267) 10.262 9.054 ( 7.753 0.166 17.290) 18.950 9.139 ( 1.741 9.315 6.562) 11.527 9.334 ( -7.182 7.351 10.908) 14.987 9.390 ( 3.186 4.966 7.796) 9.777 9.638 ( -5.102 3.386 -0.551) 6.148 9.688 ( -8.809 7.061 0.311) 11.294 9.779 ( 1.631 7.741 -0.811) 7.952 9.838 ( 0.172 11.269 1.667) 11.393 9.965 ( 0.442 18.606 -1.079) 18.643 10.046 ( 2.656 12.066 5.467) 13.511 10.220 ( -5.311 15.313 14.619) 21.827 10.495 ( -7.033 1.621 -4.846) 8.693 10.762 ( -6.894 -3.440 7.652) 10.859 10.836 ( 5.492 0.669 -0.405) 5.547 10.954 ( -12.459 3.120 -5.114) 13.825 11.206 ( -10.406 9.095 1.927) 13.954 11.357 ( -2.572 -0.684 0.290) 2.677 11.591 ( 2.389 -5.661 -5.268) 8.093 11.835 ( 5.561 -4.780 -18.360) 19.770 12.038 ( 11.927 -4.022 12.396) 17.666 12.170 ( -3.306 -7.270 -10.236) 12.983 12.361 ( 12.746 -4.400 -11.476) 17.706 12.430 ( 1.673 -1.490 -2.001) 3.004 12.607 ( 9.066 -1.308 -1.065) 9.222 12.822 ( 3.439 -8.265 -21.260) 23.068 12.912 ( 0.545 -9.914 -23.218) 25.252 13.388 ( -0.305 -10.896 -25.122) 27.385 13.428 ( 0.619 -12.689 0.921) 12.737 13.537 ( -6.053 -3.860 3.193) 7.857 13.758 ( -5.740 -3.850 2.087) 7.219 13.884 ( 5.336 -5.248 -7.554) 10.634 14.013 ( -3.671 -2.834 -8.361) 9.561 14.112 ( -1.596 -7.481 -2.503) 8.048 14.292 ( -1.592 -8.093 -5.307) 9.808 14.666 ( -2.505 8.497 0.027) 8.859 14.701 ( -2.266 2.961 3.721) 5.268 14.824 ( 5.158 1.242 7.960) 9.566 15.132 ( -3.170 2.155 -5.012) 6.310 15.560 ( 6.783 -1.333 -18.544) 19.791 15.641 ( 1.094 -4.261 -7.261) 8.490 15.887 ( 4.841 -0.303 -11.726) 12.689 16.067 ( 2.125 -1.527 -0.872) 2.758 16.117 ( 8.563 3.615 12.970) 15.957 16.298 ( 4.209 2.100 -0.626) 4.745 16.437 ( 1.856 2.125 9.904) 10.298 16.576 ( -1.446 3.294 13.212) 13.694 16.671 ( -4.883 2.612 13.527) 14.617 16.756 ( -1.515 -6.896 13.672) 15.388 17.044 ( -1.461 -7.057 10.273) 12.548 17.159 ( -2.646 6.821 11.730) 13.825 17.280 ( -5.537 -3.246 4.211) 7.677 17.349 ( -4.794 -1.169 3.793) 6.224 17.421 ( 1.146 -6.480 -2.610) 7.080 17.482 ( 1.051 -8.439 -1.672) 8.667 17.823 ( 0.686 -2.546 -2.517) 3.646 17.835 ( -0.188 10.855 3.921) 11.542 17.887 ( -1.001 -0.949 -2.218) 2.612 17.898 ( -1.041 4.368 2.466) 5.123 18.113 ( 3.219 -1.706 -9.198) 9.893 18.353 ( -2.189 -6.976 -10.426) 12.734 18.645 ( 0.359 4.077 -11.485) 12.193 18.726 ( 0.587 7.031 7.514) 10.307 18.752 ( -0.212 6.306 7.491) 9.795 18.788 ( -1.650 3.134 -8.434) 9.147 19.209 ( 1.917 4.795 15.595) 16.428 19.317 ( -0.703 4.940 16.177) 16.929 19.853 ( 2.432 -2.221 -4.608) 5.664 19.985 ( -0.725 -4.545 -3.604) 5.846 20.266 ( 0.993 -6.423 1.326) 6.634 20.281 ( 1.343 -4.414 3.574) 5.836 20.366 ( -0.239 -2.117 4.966) 5.403 20.447 ( -1.990 -2.688 0.042) 3.344 20.700 ( 0.709 -9.881 -7.225) 12.261 20.853 ( -2.200 -9.013 -7.945) 12.215 20.907 ( 2.026 -1.711 1.785) 3.197 20.993 ( -0.887 -4.703 1.312) 4.963 21.028 ( -0.405 -4.806 -1.888) 5.179 21.088 ( -0.745 -3.137 -1.176) 3.432 21.144 ( 2.122 -2.163 -1.281) 3.289 21.210 ( 1.272 0.130 -0.548) 1.391 21.264 ( 1.606 4.887 2.429) 5.689 21.333 ( 2.640 2.280 1.963) 4.003 21.404 ( 0.171 -1.191 11.693) 11.755 21.442 ( -0.589 4.979 2.250) 5.496 21.537 ( -3.033 -1.317 5.846) 6.716 21.578 ( -1.663 0.716 2.687) 3.240 21.610 ( 0.644 9.465 -8.846) 12.971 21.658 ( -1.151 5.817 -11.648) 13.071 21.883 ( 3.342 -0.490 -0.298) 3.390 21.899 ( 0.011 -1.778 3.912) 4.297 22.028 ( -2.609 -3.477 3.862) 5.815 22.082 ( -1.789 -2.237 -0.606) 2.928 22.353 ( -0.006 -3.204 3.803) 4.973 22.378 ( -0.096 -2.436 2.581) 3.550 22.632 ( 0.744 -0.813 -13.820) 13.864 22.677 ( -0.077 -2.982 -7.561) 8.128 22.699 ( 1.095 -5.140 -6.576) 8.418 22.746 ( -0.164 -4.117 -6.259) 7.493 22.811 ( 0.457 4.528 -9.307) 10.360 22.893 ( -1.356 2.745 -4.528) 5.466 22.959 ( 1.258 5.297 -7.269) 9.081 23.004 ( -0.095 5.056 -8.515) 9.903 23.449 ( 0.690 1.060 1.626) 2.059 23.550 ( 2.775 1.088 1.486) 3.331 23.580 ( -0.452 -1.016 8.057) 8.134 23.607 ( 2.311 -1.138 6.488) 6.981 23.868 ( -2.692 3.474 -0.436) 4.416 23.922 ( -3.882 1.416 1.911) 4.553 24.070 ( 0.487 -3.981 8.668) 9.551 24.119 ( -0.644 -4.120 8.183) 9.185 24.346 ( 1.342 8.049 9.904) 12.832 24.455 ( -1.542 7.972 11.496) 14.074 24.972 ( 0.595 -3.557 2.320) 4.288 25.050 ( -1.476 -4.470 2.759) 5.456 25.289 ( 0.704 -3.085 -1.351) 3.441 25.313 ( 0.073 -2.351 -0.561) 2.418 25.398 ( 0.999 1.412 -2.090) 2.713 25.459 ( 0.495 1.311 2.051) 2.484 25.485 ( -1.174 1.731 -2.606) 3.341 25.514 ( -0.610 0.478 1.392) 1.593 25.556 ( 1.615 -2.373 1.417) 3.201 25.711 ( -2.079 -0.797 -1.509) 2.690 25.760 ( 0.957 -0.119 -1.683) 1.939 25.887 ( -0.330 0.316 1.259) 1.339 26.049 ( 1.856 -0.858 -0.198) 2.054 26.149 ( -0.739 0.007 2.530) 2.635 26.246 ( 0.604 1.872 -5.757) 6.084 26.259 ( 0.709 0.072 -1.511) 1.671 26.277 ( 0.497 -0.579 -3.501) 3.583 26.321 ( -0.634 -1.251 -5.927) 6.091 26.483 ( -0.172 1.302 1.101) 1.714 26.515 ( -1.132 -1.574 0.670) 2.052 26.527 ( 0.284 -1.269 1.536) 2.013 26.556 ( -0.355 -0.702 1.779) 1.945 26.729 ( 0.284 2.593 0.865) 2.748 26.752 ( -0.296 2.262 1.160) 2.559 26.825 ( 0.769 1.640 -2.226) 2.870 26.875 ( -0.538 0.035 -3.829) 3.867 27.281 ( 0.864 1.135 0.688) 1.584 27.361 ( -0.736 0.069 -0.828) 1.110 27.384 ( -0.369 -0.222 0.393) 0.583 27.398 ( -0.291 -0.719 0.110) 0.783 28.253 ( 0.049 -0.376 -0.435) 0.577 28.287 ( -0.890 -0.887 -0.899) 1.545 28.382 ( 0.278 -1.349 -0.681) 1.537 28.386 ( 0.271 -2.283 -0.698) 2.402 28.824 ( 0.571 0.076 1.170) 1.304 28.881 ( -0.919 -0.603 1.779) 2.091 28.915 ( 0.781 0.410 0.814) 1.200 28.968 ( -0.564 0.404 1.203) 1.389 29.180 ( 0.714 1.359 -0.493) 1.613 29.209 ( 0.528 -0.820 -0.292) 1.018 29.235 ( -0.498 -0.664 -1.334) 1.571 29.273 ( -0.626 0.262 -0.955) 1.171 29.724 ( 0.868 -1.121 2.050) 2.492 29.801 ( -1.066 -1.797 1.766) 2.735 29.952 ( 0.658 -2.904 -1.363) 3.274 29.996 ( -0.442 -3.834 -1.129) 4.021 ======================= Grid point 52 (21/60) ======================= q-point: ( 0.40 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( 26.232 40.593 21.799) 53.020 3.395 ( 43.059 27.617 32.334) 60.516 3.457 ( -4.151 24.211 13.091) 27.835 3.972 ( 2.740 3.388 3.154) 5.379 4.019 ( -2.183 3.798 -1.692) 4.696 4.312 ( -43.565 24.476 33.436) 60.124 4.479 ( 15.159 16.759 9.148) 24.379 4.895 ( -29.332 30.197 14.439) 44.505 5.289 ( 72.251 41.173 47.091) 95.566 6.490 ( -14.245 4.057 -4.002) 15.342 6.668 ( -33.485 6.863 11.682) 36.122 6.730 ( -17.712 1.551 -3.167) 18.059 7.169 ( 9.636 6.112 -17.941) 21.262 7.277 ( -0.129 -1.933 -4.163) 4.591 7.520 ( 8.452 12.739 -10.995) 18.831 7.683 ( -11.307 19.093 -24.148) 32.795 7.887 ( 2.155 -3.591 -19.741) 20.180 8.072 ( -15.094 -4.678 -25.421) 29.932 8.524 ( 3.903 -11.154 9.856) 15.388 8.623 ( -7.256 -8.612 10.086) 15.118 8.901 ( 22.570 -1.849 8.374) 24.144 9.039 ( 5.894 4.321 7.543) 10.502 9.169 ( 3.631 -3.580 9.335) 10.637 9.178 ( 3.030 3.284 9.856) 10.821 9.308 ( 0.173 9.931 18.458) 20.961 9.416 ( -4.247 8.950 4.569) 10.909 9.555 ( 0.034 6.445 0.390) 6.457 9.680 ( 5.564 2.835 2.914) 6.891 9.702 ( -12.970 10.521 5.664) 17.635 9.761 ( -4.517 6.951 0.050) 8.290 10.057 ( 7.159 15.647 -0.057) 17.207 10.099 ( 2.814 10.146 2.792) 10.893 10.207 ( 2.163 13.219 11.251) 17.493 10.356 ( -10.064 16.950 1.789) 19.794 10.619 ( -1.664 0.994 0.040) 1.938 10.733 ( -10.335 4.402 -0.391) 11.240 11.040 ( 6.872 3.117 -10.338) 12.799 11.139 ( 9.041 3.308 -7.209) 12.028 11.208 ( -6.346 1.845 -2.365) 7.019 11.495 ( -15.661 -2.954 -7.412) 17.577 11.840 ( -0.869 4.191 -5.948) 7.328 11.889 ( -7.984 8.293 -2.995) 11.895 12.336 ( 8.649 -5.166 -9.859) 14.096 12.411 ( 1.458 -6.364 -4.369) 7.856 12.763 ( 11.716 -13.248 -16.985) 24.521 12.829 ( 5.413 -5.977 -9.485) 12.449 12.888 ( 5.438 -8.964 -16.669) 19.692 12.994 ( 9.609 -7.605 -22.511) 25.630 13.261 ( -5.440 -7.779 10.897) 14.452 13.392 ( -4.155 -12.187 -21.644) 25.185 13.537 ( 1.197 -11.892 -2.244) 12.160 13.627 ( -7.563 -10.843 2.932) 13.542 13.869 ( 1.505 0.419 -6.113) 6.309 13.981 ( -6.052 -6.874 -1.439) 9.271 14.143 ( 4.320 -8.221 -7.762) 12.104 14.217 ( -4.526 -7.700 -8.710) 12.476 14.637 ( 0.115 8.176 0.123) 8.178 14.662 ( -2.087 5.571 3.365) 6.835 14.949 ( 7.534 2.542 8.204) 11.425 15.065 ( -4.820 2.796 3.642) 6.657 15.648 ( 3.030 -2.455 -13.743) 14.286 15.670 ( 0.877 -4.023 -11.969) 12.657 15.990 ( 5.895 -2.848 -10.713) 12.555 16.072 ( -2.237 -5.468 -6.519) 8.797 16.307 ( 10.481 4.667 12.511) 16.975 16.377 ( 3.439 5.633 3.247) 7.355 16.463 ( -0.359 4.328 6.079) 7.470 16.522 ( -6.462 1.275 14.241) 15.690 16.604 ( 1.942 -2.185 15.564) 15.837 16.695 ( -5.247 -6.780 14.180) 16.570 17.032 ( 0.915 -5.186 10.541) 11.783 17.088 ( -4.704 -2.054 9.032) 10.388 17.214 ( -0.296 3.037 8.145) 8.698 17.259 ( -4.451 3.292 6.603) 8.616 17.449 ( 1.736 -7.051 -3.034) 7.870 17.478 ( -1.191 -7.775 -2.814) 8.354 17.835 ( 0.732 7.848 2.033) 8.140 17.844 ( 0.713 1.751 -0.202) 1.902 17.864 ( -0.948 4.247 1.627) 4.646 17.876 ( -1.336 -1.515 -0.891) 2.207 18.193 ( 5.164 -2.221 -9.605) 11.129 18.287 ( -4.801 -4.103 -9.998) 11.825 18.668 ( 2.168 2.446 -10.379) 10.882 18.713 ( -2.299 2.529 -4.562) 5.700 18.752 ( 0.544 7.148 6.073) 9.395 18.764 ( -0.791 6.703 3.302) 7.514 19.252 ( 2.541 4.750 15.314) 16.234 19.294 ( -1.887 4.789 15.540) 16.371 19.908 ( 3.217 -3.002 -4.735) 6.464 19.959 ( -2.216 -3.871 -4.425) 6.283 20.288 ( 1.244 -5.782 0.623) 5.947 20.301 ( 0.255 -5.246 1.752) 5.536 20.369 ( 1.040 -2.032 5.074) 5.564 20.404 ( -2.424 -2.737 2.660) 4.521 20.731 ( 2.751 -9.404 -8.222) 12.791 20.794 ( -3.840 -8.985 -8.674) 13.066 20.944 ( 1.819 -3.752 0.603) 4.213 20.972 ( -1.324 -5.164 0.759) 5.385 21.040 ( 1.580 -4.164 -0.069) 4.454 21.070 ( -1.370 -3.256 -0.034) 3.533 21.188 ( 2.333 -1.692 -1.284) 3.155 21.217 ( -0.632 -1.220 -1.282) 1.879 21.310 ( 3.047 5.173 2.196) 6.393 21.356 ( -1.238 3.161 2.518) 4.227 21.410 ( 1.377 -0.982 7.713) 7.897 21.445 ( -0.557 0.784 4.386) 4.491 21.486 ( -0.281 0.830 6.619) 6.676 21.532 ( -3.155 2.545 4.561) 6.102 21.624 ( 0.803 8.995 -10.539) 13.879 21.639 ( -0.880 7.224 -11.609) 13.701 21.915 ( 2.012 -2.497 4.765) 5.744 21.958 ( 3.932 -1.096 -0.726) 4.146 21.969 ( -3.010 -2.738 4.832) 6.317 22.033 ( -3.493 -1.806 -0.633) 3.984 22.358 ( 0.526 -3.153 3.418) 4.680 22.370 ( -0.675 -2.860 2.892) 4.123 22.649 ( 1.140 -1.288 -11.760) 11.886 22.669 ( -0.882 -1.751 -10.164) 10.352 22.722 ( 1.224 -4.475 -7.263) 8.618 22.740 ( -0.652 -4.270 -7.073) 8.288 22.830 ( 1.698 3.626 -6.746) 7.845 22.864 ( -1.807 2.960 -5.411) 6.427 22.981 ( 1.099 5.358 -7.886) 9.597 22.998 ( -0.660 5.256 -8.196) 9.759 23.479 ( 2.542 0.466 5.063) 5.684 23.530 ( -2.722 -0.368 8.519) 8.951 23.634 ( 3.686 -0.564 -1.048) 3.874 23.655 ( 1.915 -2.330 3.351) 4.508 23.817 ( -1.933 4.803 0.408) 5.194 23.841 ( -4.127 3.124 2.596) 5.790 24.083 ( 0.922 -4.286 9.099) 10.100 24.102 ( -1.116 -4.281 8.921) 9.957 24.379 ( 2.124 8.227 10.590) 13.578 24.420 ( -2.224 8.162 11.167) 14.010 24.989 ( 1.285 -3.726 2.523) 4.679 25.018 ( -1.794 -4.048 2.707) 5.189 25.303 ( 0.718 -3.080 -1.528) 3.512 25.312 ( -0.248 -2.748 -1.228) 3.021 25.422 ( 1.637 1.510 -2.176) 3.113 25.453 ( -1.584 1.654 -2.015) 3.051 25.478 ( 0.899 1.056 1.591) 2.111 25.497 ( -1.113 0.727 1.719) 2.173 25.595 ( 2.718 -2.127 -0.637) 3.510 25.653 ( -3.481 -2.263 -1.669) 4.475 25.805 ( 3.190 1.279 0.956) 3.567 25.860 ( -2.531 0.312 2.088) 3.296 26.091 ( 2.443 -0.434 -0.371) 2.509 26.129 ( -1.555 -0.368 0.945) 1.856 26.259 ( 0.921 -0.112 -3.995) 4.101 26.272 ( -0.092 -0.813 -2.251) 2.395 26.284 ( 0.946 0.999 -5.635) 5.801 26.305 ( -1.062 -0.249 -5.853) 5.954 26.481 ( 0.182 0.419 1.483) 1.552 26.493 ( -1.047 -0.668 1.299) 1.797 26.536 ( 0.609 -1.150 1.704) 2.144 26.547 ( -0.588 -0.938 1.749) 2.070 26.736 ( 0.468 2.518 0.988) 2.745 26.745 ( -0.475 2.388 1.104) 2.673 26.843 ( 1.072 1.163 -2.617) 3.058 26.861 ( -0.894 0.581 -3.202) 3.375 27.303 ( 1.589 0.774 0.303) 1.794 27.335 ( -1.783 0.280 -0.106) 1.808 27.385 ( 0.356 -0.084 -0.082) 0.375 27.393 ( -0.363 -0.344 -0.103) 0.511 28.257 ( 0.422 -0.536 -0.619) 0.921 28.269 ( -0.883 -0.738 -0.773) 1.386 28.387 ( 0.262 -1.629 -0.631) 1.767 28.390 ( 0.038 -1.956 -0.635) 2.057 28.838 ( 1.028 -0.153 1.222) 1.604 28.860 ( -1.256 -0.388 1.472) 1.974 28.933 ( 1.144 0.413 0.992) 1.569 28.954 ( -1.019 0.397 1.179) 1.608 29.197 ( 1.062 0.397 -0.752) 1.360 29.215 ( -0.620 -0.206 -1.119) 1.296 29.232 ( 0.908 -0.114 -0.584) 1.086 29.255 ( -1.259 0.253 -0.803) 1.515 29.747 ( 1.512 -1.367 1.973) 2.837 29.776 ( -1.616 -1.629 1.850) 2.947 29.968 ( 0.950 -3.161 -1.273) 3.538 29.984 ( -0.823 -3.513 -1.193) 3.800 ======================= Grid point 55 (22/60) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.115 ( 0.000 52.943 31.566) 61.639 3.538 ( 0.000 52.720 24.460) 58.118 3.834 ( 0.000 11.719 3.142) 12.133 4.115 ( 0.000 3.510 -1.812) 3.950 4.173 ( 0.000 13.059 1.612) 13.158 4.448 ( 0.000 21.618 21.444) 30.450 5.496 ( 0.000 70.185 27.477) 75.372 5.909 ( 0.000 30.828 17.789) 35.592 6.598 ( 0.000 -0.855 -11.428) 11.460 6.662 ( 0.000 18.961 -7.038) 20.226 6.789 ( 0.000 50.298 14.188) 52.261 6.877 ( 0.000 -3.102 0.761) 3.194 7.437 ( 0.000 9.691 -11.793) 15.264 7.633 ( 0.000 21.813 -16.344) 27.257 7.678 ( 0.000 -0.178 -4.144) 4.148 7.905 ( 0.000 3.084 -2.304) 3.850 7.906 ( 0.000 -19.278 3.205) 19.542 8.177 ( 0.000 -16.113 -0.925) 16.140 8.367 ( 0.000 3.524 3.835) 5.208 8.389 ( 0.000 -7.904 17.371) 19.085 8.911 ( 0.000 22.466 -6.280) 23.327 9.001 ( 0.000 4.944 -6.091) 7.845 9.085 ( 0.000 8.287 -5.245) 9.808 9.351 ( 0.000 2.815 9.721) 10.120 9.369 ( 0.000 0.170 0.268) 0.317 9.415 ( 0.000 3.925 4.203) 5.750 9.639 ( 0.000 -1.792 -4.773) 5.098 9.779 ( 0.000 9.319 -5.909) 11.034 10.031 ( 0.000 4.903 -11.885) 12.856 10.328 ( 0.000 12.129 -3.628) 12.660 10.399 ( 0.000 22.723 10.034) 24.840 10.399 ( 0.000 11.506 1.556) 11.611 10.650 ( 0.000 16.022 -3.165) 16.331 10.675 ( 0.000 8.405 0.940) 8.457 10.847 ( 0.000 8.218 4.633) 9.434 11.104 ( 0.000 -4.021 5.857) 7.104 11.123 ( 0.000 2.404 -11.189) 11.445 11.161 ( 0.000 28.462 11.702) 30.774 11.427 ( 0.000 -6.119 -0.651) 6.153 11.454 ( 0.000 -2.108 -3.940) 4.468 11.620 ( 0.000 12.220 2.244) 12.424 11.859 ( 0.000 -11.867 -29.012) 31.346 11.983 ( 0.000 -9.099 -5.386) 10.573 12.102 ( 0.000 10.101 14.297) 17.506 12.397 ( 0.000 -14.929 -5.731) 15.991 12.470 ( 0.000 -10.497 -11.351) 15.461 12.566 ( 0.000 -8.105 1.044) 8.172 12.683 ( 0.000 -11.195 -5.718) 12.571 13.112 ( 0.000 -16.089 -16.698) 23.188 13.174 ( 0.000 -14.321 11.917) 18.631 13.415 ( 0.000 -6.134 4.484) 7.599 13.553 ( 0.000 -15.050 0.212) 15.052 13.776 ( 0.000 -3.472 2.574) 4.323 13.920 ( 0.000 -17.405 -1.077) 17.438 14.031 ( 0.000 -13.595 -2.253) 13.780 14.161 ( 0.000 0.231 9.720) 9.722 14.681 ( 0.000 -7.519 6.985) 10.263 14.775 ( 0.000 3.058 1.161) 3.271 14.917 ( 0.000 11.295 -5.150) 12.414 15.233 ( 0.000 2.706 -13.300) 13.572 15.429 ( 0.000 -3.043 -11.651) 12.042 15.542 ( 0.000 -3.211 -8.035) 8.653 15.826 ( 0.000 -2.525 -11.412) 11.688 16.089 ( 0.000 1.764 -11.786) 11.917 16.175 ( 0.000 8.363 14.074) 16.371 16.274 ( 0.000 3.905 5.847) 7.031 16.473 ( 0.000 2.672 6.297) 6.841 16.669 ( 0.000 1.627 6.075) 6.290 16.746 ( 0.000 7.034 4.494) 8.347 16.801 ( 0.000 3.355 12.006) 12.466 16.956 ( 0.000 0.255 7.090) 7.095 17.153 ( 0.000 -13.412 -3.018) 13.748 17.190 ( 0.000 -9.321 0.932) 9.367 17.215 ( 0.000 -11.418 -3.939) 12.078 17.354 ( 0.000 3.735 8.733) 9.499 17.457 ( 0.000 4.360 8.988) 9.990 17.702 ( 0.000 -8.750 0.712) 8.779 17.735 ( 0.000 -8.842 0.980) 8.897 18.021 ( 0.000 -4.410 -8.534) 9.606 18.077 ( 0.000 12.188 -7.222) 14.167 18.159 ( 0.000 13.786 -9.573) 16.784 18.162 ( 0.000 -11.789 -7.680) 14.070 18.722 ( 0.000 2.373 -13.446) 13.653 18.843 ( 0.000 0.508 -13.577) 13.587 18.903 ( 0.000 8.081 2.287) 8.398 18.916 ( 0.000 9.505 1.868) 9.687 19.371 ( 0.000 13.022 24.622) 27.854 19.490 ( 0.000 10.974 23.295) 25.751 19.765 ( 0.000 -6.216 -9.962) 11.743 19.819 ( 0.000 -10.798 -9.143) 14.149 20.116 ( 0.000 -5.896 3.909) 7.074 20.173 ( 0.000 -4.669 3.098) 5.603 20.289 ( 0.000 -6.656 -1.027) 6.735 20.405 ( 0.000 -3.154 -1.349) 3.431 20.432 ( 0.000 -12.012 -0.673) 12.030 20.666 ( 0.000 -9.972 -6.530) 11.920 20.830 ( 0.000 -4.257 1.838) 4.637 20.901 ( 0.000 -6.401 1.775) 6.642 20.913 ( 0.000 -7.193 -0.822) 7.240 21.012 ( 0.000 -5.668 0.546) 5.694 21.046 ( 0.000 -2.054 1.325) 2.444 21.239 ( 0.000 3.079 0.795) 3.180 21.306 ( 0.000 -1.953 11.419) 11.585 21.397 ( 0.000 6.069 1.297) 6.206 21.435 ( 0.000 4.831 5.354) 7.212 21.520 ( 0.000 3.193 1.963) 3.748 21.585 ( 0.000 0.578 1.223) 1.353 21.590 ( 0.000 1.241 6.686) 6.800 21.707 ( 0.000 2.303 -2.693) 3.544 21.847 ( 0.000 8.980 -7.177) 11.496 21.851 ( 0.000 0.137 0.033) 0.141 21.916 ( 0.000 3.521 -1.692) 3.907 21.971 ( 0.000 -2.882 0.941) 3.032 22.021 ( 0.000 -4.997 0.260) 5.004 22.273 ( 0.000 -4.416 5.420) 6.991 22.318 ( 0.000 -3.452 3.183) 4.696 22.570 ( 0.000 -4.445 -5.965) 7.439 22.587 ( 0.000 -4.438 -4.384) 6.238 22.594 ( 0.000 -3.771 -6.198) 7.255 22.668 ( 0.000 -3.729 -6.522) 7.513 22.923 ( 0.000 5.664 -11.737) 13.032 22.994 ( 0.000 5.466 -8.158) 9.820 23.036 ( 0.000 3.370 -8.005) 8.685 23.104 ( 0.000 4.369 -8.198) 9.290 23.474 ( 0.000 0.983 4.204) 4.317 23.530 ( 0.000 -0.582 3.439) 3.487 23.554 ( 0.000 -1.380 11.956) 12.035 23.588 ( 0.000 1.230 4.191) 4.368 23.962 ( 0.000 3.267 0.131) 3.270 23.999 ( 0.000 -1.918 7.605) 7.843 23.999 ( 0.000 2.697 1.387) 3.032 24.110 ( 0.000 1.515 3.415) 3.736 24.489 ( 0.000 6.704 6.978) 9.676 24.609 ( 0.000 5.583 7.468) 9.324 24.871 ( 0.000 -5.517 0.662) 5.556 24.954 ( 0.000 -5.597 2.807) 6.262 25.214 ( 0.000 -3.057 -0.557) 3.108 25.265 ( 0.000 -1.867 1.070) 2.152 25.412 ( 0.000 -0.266 -1.777) 1.797 25.463 ( 0.000 -2.918 3.274) 4.386 25.488 ( 0.000 1.814 0.598) 1.910 25.522 ( 0.000 -0.120 -0.924) 0.932 25.536 ( 0.000 0.671 -3.807) 3.866 25.635 ( 0.000 -6.820 -1.401) 6.962 25.826 ( 0.000 6.492 -2.526) 6.966 25.938 ( 0.000 3.552 -0.709) 3.622 26.008 ( 0.000 -0.836 -0.549) 1.000 26.169 ( 0.000 0.768 2.890) 2.990 26.234 ( 0.000 -0.887 1.835) 2.038 26.235 ( 0.000 -1.277 -2.401) 2.719 26.296 ( 0.000 -1.126 -1.895) 2.205 26.307 ( 0.000 1.307 -6.658) 6.785 26.469 ( 0.000 -2.762 0.686) 2.846 26.489 ( 0.000 -1.607 0.411) 1.659 26.516 ( 0.000 0.599 -0.184) 0.626 26.528 ( 0.000 -2.414 0.637) 2.496 26.797 ( 0.000 3.836 0.892) 3.938 26.814 ( 0.000 3.554 1.642) 3.914 26.863 ( 0.000 2.086 -0.995) 2.311 26.890 ( 0.000 1.394 -2.463) 2.830 27.308 ( 0.000 2.064 0.893) 2.249 27.365 ( 0.000 -0.799 -0.103) 0.805 27.379 ( 0.000 -1.168 0.439) 1.248 27.382 ( 0.000 0.092 -0.025) 0.095 28.248 ( 0.000 -0.077 -0.763) 0.766 28.267 ( 0.000 -1.747 -0.974) 2.001 28.318 ( 0.000 -3.527 -0.793) 3.616 28.347 ( 0.000 -1.865 -1.347) 2.300 28.824 ( 0.000 0.328 0.741) 0.811 28.873 ( 0.000 -0.743 1.754) 1.905 28.909 ( 0.000 -0.562 -0.230) 0.607 28.970 ( 0.000 -1.168 1.211) 1.683 29.196 ( 0.000 1.115 -0.105) 1.120 29.226 ( 0.000 3.192 -0.638) 3.255 29.236 ( 0.000 0.826 -0.969) 1.273 29.289 ( 0.000 0.721 -0.949) 1.192 29.687 ( 0.000 -1.649 1.733) 2.392 29.758 ( 0.000 -3.282 1.373) 3.557 29.866 ( 0.000 -4.861 -1.082) 4.980 29.888 ( 0.000 -6.562 -0.558) 6.586 ======================= Grid point 56 (23/60) ======================= q-point: ( 0.20 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.378 ( 26.575 42.117 24.263) 55.396 3.674 ( 12.231 43.147 15.440) 47.430 3.841 ( 0.688 13.490 3.085) 13.855 4.117 ( 0.593 4.758 -0.709) 4.847 4.125 ( -1.333 15.581 8.238) 17.675 4.580 ( 11.481 18.234 16.282) 27.007 5.599 ( -25.446 36.340 20.988) 49.077 5.748 ( 23.407 66.343 29.907) 76.444 6.313 ( -32.859 32.731 4.399) 46.588 6.575 ( -4.431 16.550 -7.506) 18.705 6.805 ( -7.201 -2.442 1.460) 7.743 6.943 ( 16.002 5.294 0.587) 16.865 7.299 ( -8.609 5.326 -6.791) 12.190 7.621 ( -8.256 -2.327 -6.287) 10.635 7.783 ( 5.526 15.148 -7.400) 17.741 7.834 ( -1.329 1.156 -11.962) 12.091 7.940 ( 0.227 6.171 -0.213) 6.179 8.207 ( 2.796 -11.461 7.034) 13.735 8.452 ( 9.979 -2.788 6.155) 12.052 8.497 ( 2.492 0.792 0.092) 2.616 8.708 ( -13.503 17.322 -6.497) 22.904 9.004 ( 1.160 -3.547 3.740) 5.284 9.015 ( -6.672 2.559 4.045) 8.211 9.229 ( -8.813 -3.065 7.009) 11.670 9.422 ( 7.061 8.995 2.165) 11.639 9.607 ( 12.559 8.160 -2.395) 15.168 9.685 ( 3.254 -2.450 -5.563) 6.895 9.800 ( 1.024 12.692 -1.318) 12.801 10.037 ( -2.839 9.344 -1.345) 9.857 10.275 ( -12.069 24.422 -0.955) 27.259 10.282 ( -4.632 11.643 -0.636) 12.546 10.430 ( 3.861 12.818 -2.684) 13.653 10.553 ( -3.699 14.705 6.872) 16.648 10.707 ( -5.215 17.868 3.232) 18.892 10.802 ( -2.703 13.359 1.650) 13.730 10.927 ( 8.019 8.267 0.534) 11.530 11.064 ( -0.924 2.183 -9.481) 9.773 11.248 ( -7.991 8.971 -2.613) 12.294 11.466 ( 2.162 -2.525 -3.838) 5.077 11.545 ( -2.060 7.101 -6.066) 9.564 11.772 ( 13.400 0.673 -9.171) 16.251 11.906 ( 14.498 -13.228 -5.992) 20.520 11.998 ( -0.756 -0.504 3.177) 3.305 12.223 ( 11.284 -4.408 -1.623) 12.223 12.415 ( 4.028 -9.854 0.438) 10.655 12.521 ( -3.346 -3.796 -7.772) 9.274 12.605 ( 6.334 -10.178 -6.295) 13.540 12.713 ( 3.486 -7.793 -6.746) 10.881 13.060 ( -3.238 -19.353 -7.311) 20.940 13.139 ( -0.841 -13.317 -4.178) 13.982 13.388 ( -7.443 -10.127 4.581) 13.377 13.598 ( -12.877 -10.567 5.638) 17.586 13.670 ( 5.208 -15.599 4.417) 17.028 13.839 ( -6.138 -14.206 -0.560) 15.486 13.927 ( -3.402 -10.690 2.246) 11.441 14.188 ( -2.697 -3.089 0.856) 4.189 14.709 ( 3.662 -5.373 9.982) 11.913 14.811 ( 2.785 4.961 -1.328) 5.842 14.917 ( 0.120 10.426 -3.561) 11.018 15.162 ( -5.017 0.570 -5.203) 7.250 15.512 ( 5.758 -3.317 -13.840) 15.353 15.554 ( 1.293 -3.400 -8.430) 9.181 15.869 ( 4.245 -2.684 -12.363) 13.344 16.082 ( -1.124 1.723 -12.687) 12.853 16.238 ( 6.052 5.255 10.660) 13.337 16.311 ( 4.234 3.649 8.322) 10.025 16.474 ( -0.001 1.929 6.815) 7.083 16.648 ( -2.252 1.224 6.164) 6.675 16.708 ( -3.755 4.127 4.759) 7.333 16.760 ( -4.989 3.124 10.716) 12.227 16.959 ( 0.535 1.327 7.103) 7.246 17.092 ( -5.491 -7.796 0.527) 9.550 17.154 ( 0.289 -12.165 -1.992) 12.330 17.261 ( 0.217 -9.357 -1.516) 9.482 17.359 ( 1.069 3.984 7.838) 8.857 17.444 ( -1.255 4.170 8.137) 9.229 17.711 ( 0.903 -8.138 0.781) 8.225 17.739 ( 0.293 -8.727 0.861) 8.774 18.034 ( 1.000 -1.750 -7.071) 7.352 18.085 ( 0.442 7.616 -8.581) 11.482 18.116 ( -1.301 5.111 -6.689) 8.519 18.198 ( 1.072 -0.724 -9.850) 9.935 18.715 ( -0.479 2.303 -13.138) 13.346 18.810 ( -3.009 0.856 -11.893) 12.298 18.917 ( 0.988 7.828 0.609) 7.913 18.920 ( 0.454 9.290 1.608) 9.439 19.388 ( 1.707 12.853 24.074) 27.343 19.485 ( -0.599 11.279 23.303) 25.896 19.777 ( 1.286 -6.711 -9.769) 11.922 19.824 ( 0.405 -10.365 -9.384) 13.988 20.131 ( 1.364 -5.979 1.525) 6.320 20.177 ( 0.602 -5.092 2.789) 5.837 20.298 ( 0.537 -4.949 1.099) 5.098 20.377 ( -2.652 -3.590 0.141) 4.465 20.437 ( 0.977 -12.957 -2.653) 13.262 20.640 ( -2.839 -10.460 -6.768) 12.778 20.834 ( -0.085 -5.663 1.350) 5.822 20.882 ( -1.466 -6.189 1.614) 6.562 20.910 ( 0.352 -6.342 0.687) 6.389 21.000 ( -0.951 -5.468 1.229) 5.685 21.090 ( 3.703 -1.928 0.621) 4.221 21.228 ( -0.785 1.795 1.152) 2.272 21.328 ( 1.824 -1.339 10.515) 10.755 21.397 ( 0.267 3.936 1.421) 4.193 21.432 ( -0.430 4.183 5.094) 6.606 21.514 ( -2.964 0.218 4.917) 5.745 21.555 ( 0.830 5.325 0.876) 5.460 21.616 ( 0.645 2.664 4.581) 5.339 21.723 ( 1.966 2.145 -3.306) 4.404 21.817 ( -1.131 4.842 -3.255) 5.943 21.879 ( -0.246 3.882 -3.740) 5.396 21.919 ( 1.620 2.919 -1.134) 3.525 21.943 ( -2.547 -4.045 1.349) 4.967 22.025 ( -0.124 -2.524 -0.388) 2.556 22.274 ( 0.190 -4.212 5.139) 6.647 22.314 ( -0.514 -3.595 3.181) 4.828 22.572 ( 0.348 -4.012 -5.769) 7.036 22.588 ( 0.383 -4.960 -3.892) 6.316 22.617 ( 1.742 -3.632 -6.870) 7.964 22.666 ( -0.188 -3.643 -6.517) 7.468 22.923 ( 0.188 5.699 -10.881) 12.285 22.983 ( -1.027 5.560 -8.386) 10.114 23.050 ( 1.221 3.331 -8.326) 9.051 23.102 ( -0.272 4.122 -8.319) 9.288 23.470 ( 0.136 0.740 5.678) 5.728 23.546 ( -0.857 -0.832 11.161) 11.225 23.561 ( 2.546 -1.365 3.584) 4.604 23.600 ( 1.206 0.507 3.300) 3.550 23.945 ( -1.668 3.809 0.241) 4.165 23.974 ( -2.433 3.396 1.566) 4.461 24.009 ( 1.003 -1.324 7.319) 7.505 24.102 ( -1.010 1.332 3.871) 4.217 24.501 ( 1.238 6.531 7.189) 9.791 24.596 ( -1.299 5.638 7.523) 9.491 24.876 ( 0.555 -5.489 0.921) 5.593 24.942 ( -1.184 -5.556 2.653) 6.269 25.221 ( 0.717 -2.987 -0.659) 3.141 25.263 ( -0.258 -1.997 0.703) 2.133 25.422 ( 1.098 0.059 -2.034) 2.312 25.475 ( 1.167 -3.149 2.689) 4.302 25.490 ( 0.218 1.609 0.542) 1.712 25.516 ( -0.713 0.266 -1.353) 1.553 25.529 ( -0.674 0.066 -2.838) 2.918 25.614 ( -2.072 -6.131 -1.084) 6.562 25.840 ( 1.407 5.926 -2.135) 6.454 25.927 ( -0.991 3.261 -0.244) 3.417 26.035 ( 2.435 -0.466 -0.912) 2.642 26.153 ( -1.441 0.403 1.926) 2.439 26.239 ( 0.527 -1.021 0.705) 1.348 26.246 ( 0.717 -0.918 -0.988) 1.527 26.292 ( -0.284 -1.134 -1.978) 2.298 26.305 ( -0.289 0.702 -6.644) 6.687 26.467 ( -0.032 -2.159 0.786) 2.298 26.491 ( 0.115 -1.633 0.517) 1.716 26.511 ( -0.465 0.405 -0.122) 0.629 26.525 ( -0.344 -2.190 0.624) 2.303 26.799 ( 0.205 3.814 0.976) 3.942 26.813 ( -0.161 3.586 1.581) 3.923 26.867 ( 0.425 2.018 -1.093) 2.334 26.889 ( -0.138 1.451 -2.271) 2.698 27.312 ( 0.436 1.811 0.776) 2.018 27.358 ( -0.719 -0.490 0.060) 0.873 27.379 ( 0.083 -1.101 0.272) 1.137 27.382 ( 0.017 0.046 0.007) 0.049 28.246 ( -0.173 -0.230 -0.845) 0.893 28.260 ( -0.613 -1.536 -0.953) 1.909 28.324 ( 0.627 -3.345 -0.813) 3.499 28.347 ( -0.038 -2.050 -1.239) 2.395 28.827 ( 0.312 0.226 0.786) 0.875 28.867 ( -0.680 -0.625 1.609) 1.856 28.915 ( 0.699 -0.656 -0.098) 0.963 28.964 ( -0.565 -1.147 1.070) 1.667 29.199 ( 0.391 1.306 -0.227) 1.382 29.229 ( -0.077 1.772 -0.889) 1.984 29.237 ( 0.448 1.946 -0.638) 2.096 29.285 ( -0.486 0.849 -0.908) 1.335 29.692 ( 0.593 -1.810 1.709) 2.559 29.749 ( -0.875 -3.167 1.405) 3.573 29.869 ( 0.395 -4.979 -1.012) 5.096 29.888 ( -0.058 -6.356 -0.617) 6.386 ======================= Grid point 57 (24/60) ======================= q-point: ( 0.40 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.807 ( 6.102 21.372 4.914) 22.763 3.842 ( 0.631 15.939 3.056) 16.241 3.925 ( 17.512 11.786 3.247) 21.357 4.085 ( -3.163 3.880 -0.179) 5.009 4.321 ( 25.895 36.353 17.505) 47.943 4.917 ( 28.041 26.460 18.984) 42.975 4.973 ( -38.421 37.139 19.688) 56.948 5.587 ( -41.945 31.222 12.990) 53.879 6.343 ( 28.757 29.889 19.333) 45.761 6.594 ( -2.240 7.399 -1.077) 7.805 6.698 ( 10.270 22.853 6.014) 25.766 7.136 ( -14.402 10.235 4.866) 18.326 7.188 ( 9.907 3.589 2.740) 10.888 7.407 ( -16.732 21.912 3.514) 27.793 7.694 ( -5.708 0.067 -2.529) 6.244 7.742 ( -7.716 -7.599 -6.239) 12.498 8.049 ( 11.099 23.499 -19.209) 32.317 8.248 ( -5.729 10.432 -10.268) 15.718 8.366 ( -0.209 2.577 0.944) 2.752 8.505 ( -10.813 -4.028 6.700) 13.343 8.727 ( 14.741 -7.959 -0.257) 16.754 8.922 ( -5.313 -9.755 2.736) 11.440 9.052 ( 2.634 -4.585 4.303) 6.818 9.114 ( -3.899 -2.516 4.397) 6.392 9.579 ( 7.793 11.887 8.024) 16.323 9.648 ( -2.210 5.267 3.766) 6.842 9.801 ( 7.388 6.171 -0.830) 9.662 9.879 ( 2.266 16.485 1.312) 16.692 9.934 ( -1.772 14.956 1.253) 15.113 10.058 ( -11.280 16.541 -1.581) 20.083 10.243 ( 1.176 7.066 -3.186) 7.840 10.347 ( -9.150 6.503 0.550) 11.239 10.610 ( 6.871 20.212 6.462) 22.305 10.726 ( 0.251 18.002 -2.330) 18.154 10.818 ( -1.380 16.832 -7.183) 18.353 10.890 ( -3.602 13.856 -4.078) 14.886 11.083 ( 11.119 5.613 -10.935) 16.574 11.348 ( 6.668 16.586 -5.354) 18.660 11.395 ( -11.034 13.159 -4.361) 17.718 11.468 ( -3.992 4.184 -1.591) 5.998 11.910 ( 10.038 1.517 -3.668) 10.794 12.028 ( 1.809 0.821 -5.470) 5.820 12.187 ( 7.634 -11.332 -0.388) 13.669 12.323 ( -11.785 3.023 -5.790) 13.474 12.467 ( 16.658 -13.151 -8.049) 22.699 12.594 ( 9.168 -17.855 -5.501) 20.812 12.678 ( -1.165 -8.768 -6.504) 10.978 12.780 ( 2.056 -9.658 -14.819) 17.808 13.008 ( -9.189 -15.375 4.301) 18.421 13.068 ( -1.013 -17.883 -10.096) 20.561 13.228 ( -5.596 -17.941 3.582) 19.132 13.308 ( -12.240 -20.617 6.675) 24.888 13.755 ( 1.139 -10.628 2.893) 11.073 13.783 ( -0.486 -11.728 4.375) 12.527 13.967 ( 6.549 -9.644 4.079) 12.350 14.090 ( -6.544 -6.029 -0.531) 8.914 14.779 ( 3.500 3.376 3.037) 5.733 14.830 ( -1.577 9.660 -4.913) 10.952 14.961 ( 5.511 1.378 5.421) 7.852 15.071 ( -5.530 -1.995 4.361) 7.319 15.582 ( 1.351 -4.021 -9.590) 10.486 15.583 ( 1.740 -4.209 -12.089) 12.918 15.958 ( 5.018 -2.005 -14.267) 15.256 16.039 ( -3.566 0.133 -14.323) 14.760 16.365 ( 7.261 -1.163 4.661) 8.706 16.420 ( 6.214 4.302 11.318) 13.609 16.467 ( -0.624 0.080 8.111) 8.135 16.578 ( -6.949 2.250 9.237) 11.776 16.631 ( -3.043 1.071 3.449) 4.723 16.648 ( -4.495 1.160 8.267) 9.481 16.980 ( 1.691 1.510 5.982) 6.397 17.019 ( -2.713 -1.986 3.251) 4.677 17.173 ( 1.970 -9.051 0.217) 9.266 17.224 ( -3.229 -6.649 1.143) 7.480 17.390 ( 1.826 3.022 5.615) 6.633 17.419 ( -1.408 3.723 6.357) 7.500 17.729 ( 0.882 -7.755 0.815) 7.848 17.740 ( -0.259 -8.194 0.768) 8.234 18.048 ( 0.693 3.515 -5.701) 6.733 18.066 ( -1.366 4.055 -6.225) 7.553 18.146 ( 3.057 3.409 -9.125) 10.209 18.193 ( -1.633 0.220 -9.888) 10.025 18.717 ( 0.955 1.755 -12.589) 12.747 18.753 ( -2.851 1.037 -11.956) 12.335 18.929 ( 0.346 8.859 1.100) 8.934 18.929 ( 0.313 8.233 0.632) 8.263 19.426 ( 2.345 12.461 23.369) 26.587 19.465 ( -1.698 11.940 23.252) 26.194 19.805 ( 1.556 -7.917 -9.674) 12.597 19.825 ( -0.483 -9.294 -9.692) 13.437 20.158 ( 1.758 -6.136 -2.100) 6.719 20.185 ( -0.511 -5.100 -0.025) 5.126 20.301 ( 0.491 -4.384 4.032) 5.976 20.329 ( -2.244 -3.893 4.522) 6.375 20.482 ( 3.982 -12.946 -5.495) 14.617 20.568 ( -4.826 -11.591 -6.583) 14.177 20.831 ( 0.372 -6.641 1.048) 6.733 20.851 ( -1.653 -6.489 0.882) 6.754 20.939 ( 2.237 -5.976 2.627) 6.900 20.976 ( -1.716 -6.008 2.266) 6.646 21.160 ( 3.536 -0.610 -0.094) 3.590 21.209 ( -1.715 0.643 0.181) 1.840 21.366 ( 2.558 -1.623 9.560) 10.028 21.405 ( 0.006 1.248 3.704) 3.908 21.419 ( -0.697 2.467 4.905) 5.534 21.444 ( -3.463 1.611 3.523) 5.196 21.586 ( 1.826 6.451 1.989) 6.993 21.613 ( -0.934 4.699 3.928) 6.195 21.775 ( 3.078 4.376 -5.119) 7.405 21.806 ( -0.425 6.245 -4.927) 7.966 21.859 ( -0.570 -0.602 0.796) 1.149 21.889 ( -3.114 -4.060 2.423) 5.662 21.966 ( 2.728 2.115 -2.024) 4.002 22.008 ( -1.714 0.209 -1.576) 2.338 22.283 ( 0.785 -3.890 4.419) 5.939 22.300 ( -0.952 -3.727 3.596) 5.266 22.583 ( 0.724 -4.149 -5.056) 6.580 22.592 ( -0.140 -4.699 -4.425) 6.456 22.646 ( 1.231 -3.561 -6.986) 7.937 22.661 ( -0.475 -3.578 -6.626) 7.545 22.935 ( 1.123 5.676 -9.587) 11.198 22.960 ( -1.460 5.615 -8.867) 10.596 23.074 ( 1.253 3.405 -8.575) 9.311 23.093 ( -0.808 3.692 -8.498) 9.300 23.487 ( 1.645 0.269 7.824) 7.999 23.521 ( -1.792 -0.344 9.756) 9.925 23.605 ( 1.932 -2.119 3.442) 4.480 23.620 ( 0.439 -1.351 2.438) 2.822 23.917 ( -0.822 4.999 0.915) 5.149 23.929 ( -1.974 4.917 1.425) 5.487 24.036 ( 1.931 -0.210 6.398) 6.686 24.073 ( -1.989 0.809 5.036) 5.474 24.530 ( 1.880 6.177 7.526) 9.917 24.566 ( -1.907 5.841 7.620) 9.789 24.891 ( 1.126 -5.473 1.518) 5.790 24.916 ( -1.515 -5.498 2.178) 6.105 25.237 ( 1.021 -2.737 -0.632) 2.989 25.254 ( -0.739 -2.341 -0.088) 2.457 25.449 ( 1.741 0.450 -2.224) 2.860 25.480 ( -1.361 0.168 -1.519) 2.047 25.497 ( 0.615 0.521 0.235) 0.840 25.507 ( -0.293 0.007 0.112) 0.314 25.528 ( 1.397 -3.053 -0.372) 3.378 25.569 ( -2.638 -5.014 -0.310) 5.674 25.872 ( 1.871 4.834 -1.162) 5.312 25.904 ( -1.565 3.757 -0.311) 4.082 26.083 ( 2.594 -0.309 -0.530) 2.666 26.123 ( -1.850 -0.073 0.710) 1.983 26.250 ( 0.559 -0.768 -0.367) 1.018 26.254 ( 0.109 -0.931 -0.709) 1.175 26.289 ( 0.021 -1.051 -2.885) 3.071 26.295 ( -0.609 -0.540 -5.241) 5.304 26.472 ( 0.613 -1.043 0.674) 1.385 26.486 ( -0.721 -0.864 0.478) 1.222 26.508 ( 0.281 -0.891 0.308) 0.984 26.516 ( -0.534 -1.744 0.569) 1.911 26.803 ( 0.305 3.751 1.182) 3.944 26.809 ( -0.278 3.665 1.413) 3.938 26.876 ( 0.536 1.832 -1.392) 2.362 26.885 ( -0.358 1.611 -1.835) 2.468 27.324 ( 0.851 1.129 0.515) 1.505 27.341 ( -1.016 0.256 0.266) 1.081 27.381 ( 0.081 -0.757 0.134) 0.773 27.382 ( -0.019 -0.277 0.059) 0.283 28.245 ( 0.063 -0.587 -0.948) 1.117 28.250 ( -0.482 -1.053 -0.960) 1.504 28.336 ( 0.583 -2.961 -0.879) 3.143 28.344 ( -0.281 -2.484 -1.033) 2.705 28.836 ( 0.699 -0.026 0.979) 1.203 28.851 ( -0.919 -0.344 1.298) 1.627 28.932 ( 1.023 -0.859 0.240) 1.357 28.950 ( -0.950 -1.049 0.691) 1.575 29.209 ( 0.665 1.404 -0.478) 1.625 29.221 ( -0.626 1.251 -0.754) 1.590 29.253 ( 1.050 1.958 -0.633) 2.310 29.272 ( -0.927 1.295 -0.783) 1.775 29.708 ( 1.061 -2.252 1.630) 2.976 29.729 ( -1.219 -2.789 1.508) 3.397 29.878 ( 0.474 -5.343 -0.880) 5.436 29.885 ( -0.279 -5.868 -0.745) 5.922 ======================= Grid point 60 (25/60) ======================= q-point: ( 0.00 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.935 ( 0.000 22.002 6.347) 22.899 3.988 ( 0.000 7.196 0.631) 7.224 4.142 ( 0.000 -0.416 -0.683) 0.800 4.244 ( 0.000 7.203 -6.899) 9.974 4.742 ( 0.000 44.518 13.565) 46.539 5.013 ( 0.000 43.235 28.652) 51.867 6.197 ( 0.000 -1.171 6.492) 6.597 6.542 ( 0.000 -10.411 -6.516) 12.282 6.675 ( 0.000 31.092 20.994) 37.517 6.767 ( 0.000 -5.667 3.650) 6.740 7.293 ( 0.000 6.783 4.288) 8.025 7.372 ( 0.000 -15.505 16.918) 22.948 7.383 ( 0.000 0.636 2.275) 2.362 7.639 ( 0.000 -0.722 -2.475) 2.578 7.690 ( 0.000 7.963 -11.242) 13.777 7.812 ( 0.000 45.633 7.599) 46.262 8.053 ( 0.000 -8.403 18.111) 19.965 8.278 ( 0.000 11.219 7.235) 13.349 8.480 ( 0.000 22.095 -17.907) 28.440 8.711 ( 0.000 35.164 -1.430) 35.193 8.855 ( 0.000 -7.286 -8.042) 10.852 9.242 ( 0.000 -5.842 3.908) 7.029 9.304 ( 0.000 11.566 -10.002) 15.291 9.344 ( 0.000 4.636 -0.607) 4.676 9.502 ( 0.000 13.251 -5.180) 14.227 9.553 ( 0.000 -5.465 -3.331) 6.400 9.613 ( 0.000 6.868 -2.002) 7.154 9.945 ( 0.000 -4.908 -6.649) 8.264 10.160 ( 0.000 5.832 -20.016) 20.848 10.258 ( 0.000 0.635 -7.690) 7.716 10.465 ( 0.000 2.932 6.678) 7.294 10.665 ( 0.000 -7.116 -13.232) 15.024 10.784 ( 0.000 1.407 -0.755) 1.597 10.890 ( 0.000 -2.401 -11.648) 11.893 10.986 ( 0.000 2.414 9.767) 10.060 11.137 ( 0.000 10.484 -8.440) 13.459 11.286 ( 0.000 12.312 -5.737) 13.583 11.366 ( 0.000 -2.297 -5.114) 5.607 11.461 ( 0.000 1.900 -3.387) 3.884 11.540 ( 0.000 -8.382 6.592) 10.664 11.726 ( 0.000 7.203 -3.139) 7.858 11.889 ( 0.000 14.776 0.878) 14.802 12.096 ( 0.000 18.937 -3.532) 19.263 12.178 ( 0.000 -13.367 5.467) 14.441 12.183 ( 0.000 -2.543 17.385) 17.570 12.375 ( 0.000 -6.952 2.355) 7.340 12.428 ( 0.000 1.034 4.058) 4.188 12.536 ( 0.000 16.159 4.059) 16.661 12.761 ( 0.000 -12.750 2.780) 13.049 12.962 ( 0.000 -8.290 0.129) 8.291 13.249 ( 0.000 -12.534 9.421) 15.680 13.341 ( 0.000 -3.537 0.632) 3.593 13.475 ( 0.000 -19.072 7.646) 20.548 13.675 ( 0.000 -14.270 9.106) 16.928 13.695 ( 0.000 -10.755 0.880) 10.791 14.069 ( 0.000 -9.397 9.702) 13.506 14.560 ( 0.000 -3.092 3.203) 4.452 14.745 ( 0.000 -6.818 -1.668) 7.019 15.112 ( 0.000 5.825 -5.976) 8.346 15.310 ( 0.000 7.047 -14.015) 15.687 15.336 ( 0.000 -6.037 -9.880) 11.578 15.591 ( 0.000 8.739 -9.364) 12.809 15.716 ( 0.000 -7.903 -9.987) 12.736 16.019 ( 0.000 -6.993 -7.096) 9.962 16.325 ( 0.000 5.024 10.240) 11.406 16.377 ( 0.000 -0.084 4.025) 4.026 16.597 ( 0.000 11.533 2.509) 11.803 16.782 ( 0.000 7.701 0.929) 7.757 16.830 ( 0.000 -1.581 7.528) 7.692 16.889 ( 0.000 9.015 0.908) 9.061 16.913 ( 0.000 -7.381 0.732) 7.417 17.003 ( 0.000 -5.727 -0.059) 5.728 17.028 ( 0.000 -6.015 -2.540) 6.530 17.085 ( 0.000 6.970 0.247) 6.974 17.396 ( 0.000 4.400 8.110) 9.227 17.458 ( 0.000 -13.938 3.331) 14.331 17.540 ( 0.000 -11.010 2.436) 11.276 17.599 ( 0.000 7.984 8.479) 11.647 17.866 ( 0.000 -12.589 -5.136) 13.596 17.932 ( 0.000 -8.315 -2.846) 8.789 18.342 ( 0.000 13.053 -16.979) 21.416 18.432 ( 0.000 12.379 -18.097) 21.926 18.721 ( 0.000 -3.025 -16.838) 17.108 18.805 ( 0.000 -4.515 -17.540) 18.112 19.057 ( 0.000 7.831 -4.648) 9.106 19.119 ( 0.000 10.203 -5.958) 11.815 19.510 ( 0.000 -14.376 -13.849) 19.962 19.615 ( 0.000 -12.173 -14.087) 18.618 19.675 ( 0.000 13.558 25.173) 28.592 19.749 ( 0.000 14.221 21.430) 25.719 19.992 ( 0.000 -6.347 7.060) 9.494 20.107 ( 0.000 -1.240 4.254) 4.431 20.132 ( 0.000 -5.270 -0.215) 5.274 20.273 ( 0.000 -6.275 6.469) 9.012 20.359 ( 0.000 -0.808 -2.177) 2.322 20.492 ( 0.000 -6.785 -4.698) 8.253 20.723 ( 0.000 -5.111 0.475) 5.133 20.751 ( 0.000 -7.106 4.012) 8.160 20.784 ( 0.000 -4.134 2.706) 4.941 20.885 ( 0.000 -6.458 4.576) 7.915 21.045 ( 0.000 1.734 4.646) 4.959 21.222 ( 0.000 -5.437 12.757) 13.867 21.315 ( 0.000 4.235 1.945) 4.661 21.468 ( 0.000 -1.549 4.734) 4.981 21.535 ( 0.000 6.992 0.108) 6.993 21.606 ( 0.000 1.404 2.369) 2.754 21.610 ( 0.000 1.448 0.485) 1.527 21.633 ( 0.000 6.166 2.082) 6.508 21.734 ( 0.000 -0.611 0.138) 0.627 21.855 ( 0.000 0.034 1.562) 1.562 21.890 ( 0.000 -1.802 2.062) 2.738 21.902 ( 0.000 -6.090 1.931) 6.389 22.006 ( 0.000 6.647 -3.850) 7.682 22.053 ( 0.000 5.271 0.109) 5.272 22.184 ( 0.000 -4.104 5.707) 7.029 22.242 ( 0.000 -3.935 3.183) 5.061 22.498 ( 0.000 -1.674 -4.166) 4.490 22.505 ( 0.000 -2.742 -3.363) 4.339 22.525 ( 0.000 -2.944 -5.717) 6.431 22.593 ( 0.000 -3.630 -6.839) 7.742 23.022 ( 0.000 3.796 -10.758) 11.408 23.081 ( 0.000 0.932 -8.977) 9.025 23.108 ( 0.000 5.094 -10.435) 11.612 23.173 ( 0.000 2.116 -8.622) 8.878 23.475 ( 0.000 -0.436 8.992) 9.003 23.505 ( 0.000 -1.511 5.921) 6.111 23.557 ( 0.000 1.324 8.701) 8.801 23.602 ( 0.000 -0.118 4.760) 4.761 23.995 ( 0.000 1.155 3.990) 4.154 24.022 ( 0.000 1.879 0.791) 2.039 24.059 ( 0.000 3.214 0.721) 3.294 24.142 ( 0.000 0.767 1.216) 1.438 24.596 ( 0.000 3.841 3.038) 4.898 24.702 ( 0.000 3.588 5.201) 6.318 24.758 ( 0.000 -5.119 -0.119) 5.121 24.846 ( 0.000 -4.730 2.835) 5.515 25.180 ( 0.000 0.206 0.980) 1.001 25.258 ( 0.000 1.613 1.149) 1.980 25.332 ( 0.000 -5.437 2.901) 6.163 25.457 ( 0.000 -3.826 -2.131) 4.379 25.471 ( 0.000 -1.664 -1.489) 2.233 25.513 ( 0.000 -0.693 -2.097) 2.208 25.525 ( 0.000 1.631 -1.174) 2.009 25.569 ( 0.000 -0.438 -2.494) 2.532 25.947 ( 0.000 4.214 -3.682) 5.597 25.998 ( 0.000 -0.219 -1.363) 1.381 26.032 ( 0.000 5.898 -1.428) 6.068 26.179 ( 0.000 0.185 2.921) 2.927 26.210 ( 0.000 -1.265 -1.296) 1.811 26.234 ( 0.000 0.946 3.831) 3.946 26.271 ( 0.000 -1.385 0.805) 1.602 26.286 ( 0.000 -3.240 -4.042) 5.180 26.429 ( 0.000 -0.764 -0.623) 0.986 26.470 ( 0.000 -1.800 -0.913) 2.018 26.475 ( 0.000 -0.775 -0.268) 0.820 26.513 ( 0.000 -0.814 -0.574) 0.996 26.862 ( 0.000 2.458 1.190) 2.731 26.893 ( 0.000 0.875 0.004) 0.875 26.895 ( 0.000 3.690 1.589) 4.018 26.928 ( 0.000 1.769 -0.332) 1.800 27.340 ( 0.000 -1.208 0.322) 1.250 27.348 ( 0.000 0.291 0.554) 0.625 27.354 ( 0.000 0.204 0.714) 0.743 27.387 ( 0.000 0.137 0.206) 0.248 28.232 ( 0.000 -1.433 -1.041) 1.771 28.249 ( 0.000 -1.542 -1.323) 2.032 28.256 ( 0.000 -0.468 -1.029) 1.130 28.307 ( 0.000 -1.873 -1.814) 2.607 28.833 ( 0.000 0.598 0.205) 0.632 28.866 ( 0.000 0.237 1.568) 1.585 28.884 ( 0.000 -1.636 -0.490) 1.708 28.929 ( 0.000 -2.401 1.261) 2.712 29.250 ( 0.000 3.614 -0.636) 3.670 29.273 ( 0.000 2.408 -0.626) 2.488 29.293 ( 0.000 2.705 -0.941) 2.864 29.305 ( 0.000 0.816 -0.870) 1.193 29.660 ( 0.000 -0.557 1.218) 1.340 29.687 ( 0.000 -3.169 1.037) 3.334 29.744 ( 0.000 -6.378 -0.028) 6.378 29.764 ( 0.000 -5.096 -0.262) 5.102 ======================= Grid point 61 (26/60) ======================= q-point: ( 0.20 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.982 ( 3.912 13.993 3.207) 14.879 4.005 ( 2.426 8.724 1.330) 9.153 4.138 ( -0.563 0.852 -0.946) 1.392 4.202 ( -4.018 5.757 -3.877) 8.020 4.819 ( 10.322 45.004 11.791) 47.654 5.173 ( 16.115 40.793 26.875) 51.439 6.190 ( -7.768 11.167 4.992) 14.490 6.300 ( -13.886 4.915 4.179) 15.311 6.672 ( -5.714 -10.579 4.976) 13.013 6.861 ( 2.353 0.021 4.701) 5.257 6.880 ( -30.498 15.572 12.364) 36.408 7.132 ( -16.077 -18.136 6.104) 24.993 7.362 ( -2.243 1.854 -2.953) 4.146 7.591 ( -0.376 -1.968 4.004) 4.477 7.836 ( 9.733 42.853 7.355) 44.555 7.929 ( 7.955 7.945 4.045) 11.949 8.081 ( 2.685 -11.943 15.317) 19.608 8.402 ( 7.970 6.723 3.281) 10.930 8.499 ( 3.928 25.488 -17.479) 31.154 8.806 ( 5.225 27.946 -8.194) 29.587 8.902 ( 3.653 -3.544 -4.314) 6.672 9.024 ( -15.668 3.897 -0.982) 16.175 9.177 ( -7.332 17.412 -0.549) 18.901 9.317 ( -9.749 13.476 -3.353) 16.967 9.543 ( 2.813 -7.239 -11.158) 13.594 9.604 ( 6.911 6.118 -1.213) 9.310 9.709 ( 10.216 3.072 0.386) 10.675 10.048 ( 6.643 -1.982 -3.938) 7.973 10.236 ( 4.536 11.060 -11.817) 16.809 10.383 ( 1.136 1.993 -3.957) 4.574 10.468 ( 6.043 1.744 -2.179) 6.656 10.526 ( -3.049 -2.692 -2.861) 4.973 10.835 ( 6.035 -10.426 -1.861) 12.189 10.904 ( -13.685 16.981 -1.591) 21.867 10.960 ( -3.275 8.959 -4.445) 10.523 11.094 ( 4.981 5.162 -7.465) 10.353 11.309 ( 3.069 8.567 -9.041) 12.828 11.393 ( -1.638 -0.755 -5.813) 6.086 11.491 ( 9.747 -2.758 -5.002) 11.298 11.668 ( 11.260 -7.732 2.930) 13.970 11.709 ( -2.444 3.589 -2.200) 4.868 11.813 ( 5.317 19.684 6.312) 21.344 12.133 ( 3.748 -9.893 7.479) 12.956 12.217 ( 4.051 6.129 3.002) 7.936 12.312 ( 8.547 -2.476 -0.864) 8.940 12.391 ( -4.063 5.910 2.060) 7.462 12.402 ( -11.618 3.724 2.738) 12.504 12.560 ( 9.246 -14.892 1.976) 17.640 12.792 ( 1.322 -6.477 10.103) 12.073 12.929 ( -3.270 -6.261 -5.609) 9.019 13.214 ( -10.456 -5.224 3.764) 12.279 13.299 ( -5.896 -10.254 8.975) 14.848 13.405 ( -0.226 -6.503 7.574) 9.986 13.526 ( -10.722 -16.122 0.610) 19.371 13.665 ( -0.392 -14.595 12.286) 19.082 14.060 ( -4.392 -10.643 6.545) 13.244 14.606 ( 5.989 -2.439 5.913) 8.763 14.814 ( 6.660 -6.124 -2.344) 9.346 15.103 ( -1.253 4.221 -5.074) 6.718 15.178 ( -8.443 2.170 -8.182) 11.955 15.445 ( 5.512 -0.887 -12.766) 13.933 15.580 ( -1.074 7.249 -9.794) 12.232 15.757 ( 4.174 -7.873 -10.191) 13.538 16.004 ( -1.754 -7.811 -7.735) 11.131 16.330 ( 0.661 2.598 4.780) 5.480 16.405 ( 3.036 0.123 7.450) 8.046 16.582 ( -2.294 8.220 1.916) 8.747 16.704 ( -6.456 1.286 1.485) 6.748 16.782 ( -4.473 6.397 2.901) 8.327 16.800 ( -7.039 2.326 4.876) 8.873 16.927 ( 1.711 -6.331 1.056) 6.643 17.000 ( 1.184 -0.668 1.116) 1.759 17.094 ( 1.138 5.163 -0.342) 5.298 17.110 ( 3.688 -1.235 -1.641) 4.221 17.420 ( 2.480 3.410 7.753) 8.825 17.489 ( 2.630 -11.242 3.155) 11.969 17.537 ( -0.353 -9.455 2.854) 9.883 17.590 ( -0.854 6.485 8.335) 10.596 17.881 ( 1.537 -12.170 -4.674) 13.127 17.937 ( 0.378 -8.465 -2.851) 8.941 18.348 ( 0.741 12.894 -16.843) 21.225 18.421 ( -1.061 12.191 -17.815) 21.613 18.717 ( -0.335 -2.746 -16.495) 16.725 18.780 ( -2.346 -3.976 -16.845) 17.466 19.070 ( 1.200 7.845 -5.242) 9.511 19.117 ( -0.281 9.850 -6.053) 11.564 19.524 ( 1.461 -14.162 -14.039) 19.995 19.609 ( -0.703 -12.040 -13.637) 18.205 19.695 ( 1.898 13.547 24.120) 27.729 19.753 ( 0.360 13.996 21.544) 25.693 20.015 ( 2.151 -5.172 5.105) 7.578 20.104 ( 0.575 -1.505 4.714) 4.982 20.167 ( 3.139 -5.603 -0.485) 6.441 20.254 ( -2.042 -6.534 4.783) 8.351 20.324 ( -3.220 -1.131 0.264) 3.423 20.455 ( -3.839 -7.245 -4.240) 9.230 20.709 ( -0.951 -5.214 1.546) 5.521 20.762 ( -0.105 -5.473 4.704) 7.217 20.769 ( -0.432 -5.734 2.348) 6.212 20.870 ( -1.574 -6.719 4.900) 8.463 21.088 ( 4.183 1.587 3.798) 5.868 21.237 ( 1.537 -3.416 10.020) 10.697 21.308 ( -0.771 2.351 3.445) 4.241 21.442 ( -2.674 -1.850 5.161) 6.100 21.499 ( -2.122 5.163 0.879) 5.651 21.557 ( -2.857 3.197 1.749) 4.630 21.647 ( 1.359 0.153 1.654) 2.146 21.681 ( 2.201 5.318 1.049) 5.850 21.724 ( 0.749 -1.576 0.441) 1.800 21.853 ( 0.081 0.919 2.545) 2.707 21.885 ( -0.732 -0.755 0.945) 1.415 21.899 ( -0.238 -3.433 2.102) 4.032 22.022 ( 1.579 6.090 -3.721) 7.310 22.065 ( 0.922 4.735 -0.958) 4.918 22.190 ( 0.623 -3.863 5.333) 6.614 22.238 ( -0.445 -3.722 3.209) 4.935 22.503 ( 0.283 -2.487 -3.307) 4.147 22.506 ( 0.517 -1.775 -4.186) 4.576 22.544 ( 1.596 -3.292 -5.733) 6.801 22.593 ( -0.041 -3.543 -6.708) 7.586 23.025 ( 0.436 4.014 -10.353) 11.112 23.087 ( 0.222 2.116 -9.026) 9.273 23.101 ( -0.302 3.615 -10.220) 10.845 23.164 ( -0.910 1.764 -8.719) 8.942 23.476 ( 0.454 0.173 8.823) 8.836 23.521 ( 1.223 -1.672 6.615) 6.932 23.554 ( -0.351 0.810 8.241) 8.288 23.599 ( -0.355 -0.695 4.540) 4.607 24.010 ( 1.336 1.483 3.132) 3.714 24.021 ( 0.129 2.482 1.325) 2.816 24.047 ( -1.147 3.614 0.969) 3.913 24.132 ( -1.136 0.815 1.510) 2.057 24.604 ( 0.860 3.654 3.360) 5.038 24.687 ( -1.425 3.333 4.990) 6.167 24.764 ( 0.588 -5.046 0.290) 5.088 24.833 ( -1.286 -4.841 2.564) 5.627 25.190 ( 1.051 0.432 0.877) 1.436 25.254 ( -0.508 1.493 1.069) 1.906 25.346 ( 1.488 -5.442 2.431) 6.144 25.451 ( -1.172 -6.592 -1.490) 6.860 25.471 ( 0.601 1.169 -1.706) 2.154 25.512 ( -0.087 -0.529 -1.980) 2.052 25.522 ( -0.322 1.349 -1.208) 1.839 25.556 ( -1.278 -0.331 -2.309) 2.659 25.955 ( 0.839 4.244 -3.362) 5.479 26.005 ( 0.305 2.720 -1.547) 3.144 26.042 ( 1.286 2.753 -1.808) 3.536 26.161 ( -1.678 0.250 0.983) 1.961 26.217 ( 0.690 -0.999 1.034) 1.595 26.233 ( -0.089 -0.244 2.873) 2.885 26.271 ( -0.213 -0.952 1.387) 1.696 26.277 ( -0.744 -3.181 -4.122) 5.260 26.436 ( 0.710 -0.679 -0.629) 1.166 26.472 ( -0.059 -0.172 -0.617) 0.643 26.474 ( 0.219 -2.115 -0.522) 2.190 26.509 ( -0.518 -0.800 -0.598) 1.125 26.865 ( 0.335 2.558 1.228) 2.857 26.892 ( -0.327 3.541 1.545) 3.877 26.898 ( 0.444 0.923 -0.023) 1.024 26.926 ( -0.265 1.641 -0.292) 1.688 27.342 ( 0.165 -0.810 0.363) 0.903 27.347 ( -0.061 0.836 0.583) 1.021 27.355 ( 0.203 -0.495 0.621) 0.819 27.384 ( -0.373 -0.033 0.232) 0.441 28.230 ( -0.074 -1.096 -1.084) 1.543 28.248 ( -0.338 0.131 -1.464) 1.508 28.261 ( 0.708 -2.295 -0.939) 2.579 28.304 ( -0.408 -2.022 -1.712) 2.681 28.835 ( 0.196 0.601 0.315) 0.706 28.862 ( -0.477 0.303 1.412) 1.521 28.888 ( 0.466 -1.748 -0.350) 1.843 28.924 ( -0.461 -2.355 1.056) 2.621 29.253 ( 0.310 3.461 -0.629) 3.531 29.272 ( -0.167 2.539 -0.629) 2.621 29.294 ( 0.156 2.464 -0.904) 2.629 29.304 ( -0.105 0.968 -0.847) 1.291 29.662 ( 0.169 -0.757 1.210) 1.437 29.682 ( -0.448 -2.885 1.077) 3.111 29.749 ( 0.490 -6.219 -0.060) 6.239 29.765 ( -0.002 -5.207 -0.248) 5.213 ======================= Grid point 62 (27/60) ======================= q-point: ( 0.40 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.031 ( 2.719 6.853 -0.258) 7.377 4.074 ( 1.189 5.558 -1.063) 5.782 4.111 ( -0.688 5.834 0.381) 5.887 4.143 ( -1.900 1.916 -0.138) 2.701 5.153 ( 26.210 39.939 7.501) 48.357 5.569 ( 26.356 34.873 23.634) 49.692 5.718 ( -32.007 33.034 5.897) 46.373 6.128 ( -30.494 21.687 13.778) 39.875 6.361 ( 1.018 -9.298 6.694) 11.502 6.517 ( -12.173 -6.550 2.591) 14.064 6.929 ( 1.192 -16.251 5.980) 17.358 6.962 ( -3.467 -17.748 5.874) 19.013 7.396 ( 5.744 2.010 -4.220) 7.406 7.520 ( -6.511 -0.897 0.885) 6.632 7.979 ( 4.948 -12.365 8.284) 15.684 8.052 ( -1.496 -11.870 8.029) 14.409 8.251 ( 20.896 46.597 13.232) 52.754 8.511 ( 2.260 12.243 2.024) 12.613 8.543 ( 0.359 27.840 -8.948) 29.245 8.752 ( -12.494 15.628 -3.190) 20.261 8.837 ( 1.302 11.801 -12.766) 17.433 8.931 ( -7.300 10.368 -3.936) 13.277 9.087 ( 2.925 21.307 1.015) 21.531 9.190 ( -5.273 16.145 -2.450) 17.160 9.574 ( 2.260 -9.426 -5.331) 11.062 9.620 ( -2.007 -6.612 -1.709) 7.118 10.010 ( 14.854 11.199 -2.134) 18.725 10.137 ( 6.403 3.175 0.059) 7.147 10.220 ( -10.354 2.386 -4.077) 11.381 10.271 ( -2.819 12.316 -2.607) 12.901 10.414 ( -1.481 16.566 -1.295) 16.682 10.525 ( -14.779 15.312 -3.251) 21.527 10.833 ( 14.667 -2.607 -6.143) 16.114 10.960 ( 2.142 -5.510 -6.606) 8.864 11.059 ( 7.545 16.079 -4.444) 18.309 11.146 ( -0.796 12.214 -6.741) 13.973 11.334 ( 3.678 -8.394 -7.891) 12.094 11.415 ( -1.186 1.334 -7.832) 8.033 11.627 ( 12.116 -0.528 0.873) 12.159 11.743 ( 6.100 4.162 0.941) 7.445 11.815 ( -0.682 -17.662 -1.272) 17.721 11.984 ( -12.154 16.604 -2.732) 20.758 12.112 ( 3.488 3.626 1.816) 5.349 12.228 ( -1.794 -10.083 0.796) 10.273 12.304 ( 5.929 -4.083 1.906) 7.447 12.364 ( 14.190 -1.311 7.050) 15.899 12.589 ( 12.366 1.677 -3.815) 13.049 12.651 ( 0.258 -14.455 -0.029) 14.457 12.725 ( -0.246 -4.519 -0.463) 4.549 12.808 ( -10.465 -20.720 7.407) 24.366 12.920 ( -19.077 3.112 0.793) 19.346 12.991 ( -20.088 10.808 2.113) 22.909 13.484 ( 5.131 -15.611 8.782) 18.632 13.521 ( 2.322 -13.311 10.926) 17.377 13.717 ( 7.981 -14.834 12.404) 20.919 13.910 ( -10.859 -12.552 7.020) 18.021 14.770 ( 11.440 -0.898 3.947) 12.135 14.940 ( 3.560 -1.119 -4.508) 5.852 15.006 ( -7.687 -1.874 0.097) 7.912 15.061 ( -3.969 1.928 -3.878) 5.874 15.519 ( 2.777 0.627 -11.893) 12.229 15.556 ( -1.557 3.948 -10.732) 11.540 15.851 ( 5.623 -8.257 -10.355) 14.388 15.947 ( -4.529 -8.605 -9.402) 13.526 16.374 ( 4.648 0.524 1.511) 4.916 16.476 ( 4.131 -1.885 6.500) 7.929 16.491 ( -6.610 0.217 0.688) 6.649 16.579 ( -6.791 -2.650 4.010) 8.320 16.711 ( -0.634 10.199 3.624) 10.842 16.732 ( -2.444 8.946 3.598) 9.947 16.965 ( 2.216 -4.223 2.575) 5.420 16.999 ( -1.233 -2.054 3.053) 3.881 17.121 ( 1.662 4.888 -1.194) 5.299 17.142 ( -0.122 1.944 -2.269) 2.990 17.473 ( 2.920 1.536 6.688) 7.458 17.513 ( -1.109 -3.969 4.336) 5.981 17.543 ( 1.652 -6.464 4.322) 7.949 17.571 ( -1.267 0.432 6.591) 6.726 17.914 ( 1.814 -10.837 -3.707) 11.596 17.937 ( -0.601 -9.302 -3.042) 9.805 18.368 ( 1.427 12.449 -16.781) 20.943 18.397 ( -1.559 12.082 -17.206) 21.082 18.716 ( 0.430 -2.499 -16.027) 16.227 18.737 ( -1.971 -3.006 -16.090) 16.487 19.093 ( 1.126 8.263 -5.894) 10.211 19.109 ( -0.640 9.057 -6.113) 10.946 19.557 ( 1.960 -13.634 -14.215) 19.794 19.589 ( -1.475 -12.857 -13.988) 19.056 19.732 ( 1.912 14.275 23.324) 27.413 19.755 ( -0.437 14.373 22.626) 26.809 20.059 ( 2.901 -3.498 0.369) 4.560 20.113 ( -1.540 -2.331 1.526) 3.184 20.207 ( 1.264 -4.122 4.248) 6.052 20.249 ( 0.125 -6.346 3.194) 7.106 20.272 ( 0.942 -4.341 1.978) 4.863 20.364 ( -5.772 -7.769 -2.693) 10.046 20.704 ( 0.615 -4.778 2.363) 5.366 20.729 ( -1.961 -4.425 2.785) 5.584 20.794 ( 1.879 -7.556 5.124) 9.321 20.833 ( -2.287 -7.394 5.413) 9.445 21.174 ( 4.705 1.900 2.493) 5.653 21.243 ( -2.247 2.358 2.310) 3.993 21.314 ( 2.606 -3.119 8.616) 9.526 21.379 ( -3.915 -2.584 6.699) 8.178 21.483 ( 0.409 4.035 1.417) 4.296 21.509 ( -2.249 3.580 1.941) 4.652 21.660 ( 0.334 -1.310 1.797) 2.249 21.671 ( -1.068 -1.023 0.771) 1.668 21.789 ( 4.054 2.234 1.213) 4.786 21.846 ( -1.934 1.065 2.460) 3.306 21.875 ( 0.543 1.757 0.764) 1.991 21.890 ( -0.760 0.043 2.070) 2.206 22.053 ( 1.578 5.217 -3.624) 6.545 22.072 ( -0.337 4.710 -2.724) 5.452 22.206 ( 1.086 -3.503 4.496) 5.802 22.225 ( -0.928 -3.442 3.648) 5.100 22.511 ( 0.470 -2.307 -3.423) 4.155 22.514 ( 0.182 -1.908 -3.666) 4.136 22.572 ( 1.303 -3.494 -6.186) 7.223 22.589 ( -0.503 -3.466 -6.457) 7.345 23.040 ( 1.260 4.325 -9.730) 10.723 23.068 ( -1.623 4.521 -9.545) 10.685 23.117 ( 1.374 0.817 -9.250) 9.387 23.143 ( -1.380 1.116 -8.888) 9.063 23.495 ( 1.532 0.698 8.812) 8.972 23.523 ( -1.219 0.612 8.651) 8.758 23.562 ( 1.425 -1.989 5.730) 6.230 23.587 ( -1.075 -1.783 4.624) 5.071 24.015 ( 0.101 3.929 0.895) 4.031 24.025 ( -0.947 4.344 1.111) 4.583 24.055 ( 2.552 1.320 3.071) 4.205 24.100 ( -2.251 1.051 2.240) 3.345 24.626 ( 1.524 3.334 4.062) 5.472 24.657 ( -1.784 3.213 4.671) 5.944 24.779 ( 1.142 -5.133 0.992) 5.351 24.805 ( -1.631 -5.051 1.853) 5.622 25.214 ( 1.474 0.862 0.754) 1.867 25.239 ( -1.144 1.224 0.863) 1.884 25.380 ( 2.139 -5.554 1.286) 6.089 25.420 ( -2.071 -5.891 -0.134) 6.246 25.492 ( 1.491 0.565 -1.973) 2.537 25.511 ( -0.095 0.048 -1.863) 1.866 25.516 ( -0.278 0.602 -1.312) 1.470 25.527 ( -1.668 -0.111 -1.874) 2.511 25.976 ( 1.376 4.663 -2.850) 5.636 25.999 ( -0.945 5.056 -2.223) 5.604 26.079 ( 2.487 -0.194 -1.693) 3.015 26.124 ( -2.329 -0.115 -0.561) 2.398 26.230 ( 0.472 -1.042 1.550) 1.926 26.232 ( 0.047 -0.949 2.476) 2.652 26.262 ( -0.309 -1.876 -0.921) 2.113 26.267 ( -0.565 -1.739 -0.807) 1.999 26.451 ( 0.900 -0.576 -0.571) 1.212 26.465 ( -0.564 -0.433 -0.441) 0.837 26.483 ( 0.638 -1.331 -0.688) 1.629 26.496 ( -0.758 -0.869 -0.648) 1.323 26.874 ( 0.540 2.835 1.326) 3.176 26.884 ( -0.537 3.212 1.447) 3.564 26.908 ( 0.617 1.060 -0.104) 1.231 26.918 ( -0.507 1.342 -0.202) 1.449 27.344 ( 0.099 0.071 0.496) 0.510 27.346 ( -0.102 0.898 0.585) 1.077 27.363 ( 0.584 -0.883 0.421) 1.139 27.374 ( -0.621 -0.466 0.301) 0.833 28.232 ( 0.267 -0.434 -1.208) 1.311 28.239 ( -0.498 0.111 -1.351) 1.445 28.277 ( 0.921 -2.562 -1.169) 2.963 28.293 ( -0.759 -2.340 -1.460) 2.861 28.841 ( 0.470 0.564 0.625) 0.963 28.851 ( -0.637 0.447 1.043) 1.302 28.899 ( 0.729 -1.991 0.027) 2.121 28.913 ( -0.731 -2.216 0.562) 2.400 29.260 ( 0.419 3.127 -0.622) 3.216 29.267 ( -0.326 2.804 -0.625) 2.892 29.298 ( 0.207 1.938 -0.844) 2.124 29.301 ( -0.182 1.384 -0.820) 1.619 29.666 ( 0.321 -1.327 1.191) 1.811 29.673 ( -0.457 -2.138 1.149) 2.470 29.758 ( 0.425 -5.884 -0.136) 5.901 29.763 ( -0.162 -5.504 -0.206) 5.511 ======================= Grid point 65 (28/60) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.099 ( 0.000 -3.754 0.098) 3.755 4.099 ( 0.000 3.754 0.098) 3.755 4.201 ( 0.000 -7.514 -3.179) 8.159 4.201 ( 0.000 7.514 -3.179) 8.159 5.655 ( 0.000 -26.232 7.569) 27.303 5.655 ( 0.000 26.232 7.569) 27.303 6.019 ( 0.000 -25.779 18.558) 31.764 6.019 ( 0.000 25.779 18.558) 31.764 6.788 ( 0.000 -6.101 2.787) 6.707 6.788 ( 0.000 6.101 2.787) 6.707 7.261 ( 0.000 -1.951 8.255) 8.483 7.261 ( 0.000 1.951 8.255) 8.483 7.532 ( 0.000 -15.019 10.935) 18.578 7.532 ( 0.000 15.019 10.935) 18.578 7.814 ( 0.000 -7.533 4.095) 8.575 7.814 ( 0.000 7.533 4.095) 8.575 8.500 ( 0.000 -12.704 -12.437) 17.778 8.500 ( 0.000 12.704 -12.437) 17.778 8.992 ( 0.000 -0.265 -7.547) 7.551 8.992 ( 0.000 0.265 -7.547) 7.551 9.124 ( 0.000 -31.289 0.148) 31.289 9.124 ( 0.000 31.289 0.148) 31.289 9.328 ( 0.000 -25.316 0.774) 25.328 9.328 ( 0.000 25.316 0.774) 25.328 9.543 ( 0.000 -5.846 -3.888) 7.021 9.543 ( 0.000 5.846 -3.888) 7.021 9.646 ( 0.000 -3.059 -1.475) 3.396 9.646 ( 0.000 3.059 -1.475) 3.396 10.287 ( 0.000 -12.466 -15.941) 20.236 10.287 ( 0.000 12.466 -15.941) 20.236 10.569 ( 0.000 -5.015 -14.704) 15.536 10.569 ( 0.000 5.015 -14.704) 15.536 10.757 ( 0.000 -5.093 -4.938) 7.094 10.757 ( 0.000 5.093 -4.938) 7.094 11.161 ( 0.000 -10.654 5.602) 12.037 11.161 ( 0.000 10.654 5.602) 12.037 11.337 ( 0.000 -3.389 -13.710) 14.123 11.337 ( 0.000 3.389 -13.710) 14.123 11.467 ( 0.000 -1.174 -0.161) 1.185 11.467 ( 0.000 1.174 -0.161) 1.185 11.899 ( 0.000 -10.833 14.652) 18.222 11.899 ( 0.000 10.833 14.652) 18.222 12.066 ( 0.000 -6.049 9.159) 10.976 12.066 ( 0.000 6.049 9.159) 10.976 12.338 ( 0.000 -2.965 5.842) 6.551 12.338 ( 0.000 2.965 5.842) 6.551 12.632 ( 0.000 -4.764 1.271) 4.930 12.632 ( 0.000 4.764 1.271) 4.930 12.813 ( 0.000 -6.252 3.814) 7.323 12.813 ( 0.000 6.252 3.814) 7.323 13.223 ( 0.000 -9.093 1.012) 9.149 13.223 ( 0.000 9.093 1.012) 9.149 13.306 ( 0.000 -9.645 17.804) 20.249 13.306 ( 0.000 9.645 17.804) 20.249 13.786 ( 0.000 -15.297 2.766) 15.545 13.786 ( 0.000 15.297 2.766) 15.545 14.585 ( 0.000 -5.802 0.561) 5.829 14.585 ( 0.000 5.802 0.561) 5.829 15.206 ( 0.000 -5.546 -8.470) 10.124 15.206 ( 0.000 5.546 -8.470) 10.124 15.517 ( 0.000 -10.987 -11.769) 16.100 15.517 ( 0.000 10.987 -11.769) 16.100 15.825 ( 0.000 -11.735 -8.149) 14.287 15.825 ( 0.000 11.735 -8.149) 14.287 16.360 ( 0.000 -0.104 5.906) 5.907 16.360 ( 0.000 0.104 5.906) 5.907 16.765 ( 0.000 -3.508 2.761) 4.465 16.765 ( 0.000 3.508 2.761) 4.465 16.868 ( 0.000 -0.652 4.169) 4.220 16.868 ( 0.000 0.652 4.169) 4.220 16.954 ( 0.000 -1.235 -0.967) 1.569 16.954 ( 0.000 1.235 -0.967) 1.569 17.148 ( 0.000 -15.531 2.077) 15.669 17.148 ( 0.000 15.531 2.077) 15.669 17.286 ( 0.000 -12.707 -0.549) 12.719 17.286 ( 0.000 12.707 -0.549) 12.719 17.589 ( 0.000 -12.825 3.504) 13.295 17.589 ( 0.000 12.825 3.504) 13.295 17.767 ( 0.000 -8.285 2.033) 8.531 17.767 ( 0.000 8.285 2.033) 8.531 18.586 ( 0.000 -9.929 -19.938) 22.274 18.586 ( 0.000 9.929 -19.938) 22.274 18.658 ( 0.000 -9.478 -20.517) 22.600 18.658 ( 0.000 9.478 -20.517) 22.600 19.245 ( 0.000 -10.916 -9.764) 14.645 19.245 ( 0.000 10.916 -9.764) 14.645 19.349 ( 0.000 -12.428 -11.451) 16.899 19.349 ( 0.000 12.428 -11.451) 16.899 19.865 ( 0.000 -6.509 12.539) 14.128 19.865 ( 0.000 6.509 12.539) 14.128 20.027 ( 0.000 -9.189 9.652) 13.327 20.027 ( 0.000 9.189 9.652) 13.327 20.134 ( 0.000 -4.815 9.403) 10.564 20.134 ( 0.000 4.815 9.403) 10.564 20.385 ( 0.000 -3.457 -3.279) 4.765 20.385 ( 0.000 3.457 -3.279) 4.765 20.666 ( 0.000 -0.383 2.298) 2.329 20.666 ( 0.000 0.383 2.298) 2.329 20.774 ( 0.000 -3.264 6.214) 7.019 20.774 ( 0.000 3.264 6.214) 7.019 21.112 ( 0.000 -4.649 9.208) 10.315 21.112 ( 0.000 4.649 9.208) 10.315 21.404 ( 0.000 -4.128 3.836) 5.635 21.404 ( 0.000 4.128 3.836) 5.635 21.626 ( 0.000 -0.076 -0.551) 0.557 21.626 ( 0.000 0.076 -0.551) 0.557 21.667 ( 0.000 -5.224 -0.682) 5.269 21.667 ( 0.000 5.224 -0.682) 5.269 21.763 ( 0.000 -6.327 2.661) 6.864 21.763 ( 0.000 6.327 2.661) 6.864 21.871 ( 0.000 -0.560 3.315) 3.361 21.871 ( 0.000 0.560 3.315) 3.361 22.107 ( 0.000 -3.577 3.011) 4.675 22.107 ( 0.000 3.577 3.011) 4.675 22.153 ( 0.000 -4.802 2.384) 5.361 22.153 ( 0.000 4.802 2.384) 5.361 22.482 ( 0.000 -0.866 -4.192) 4.281 22.482 ( 0.000 0.866 -4.192) 4.281 22.522 ( 0.000 -2.932 -6.596) 7.218 22.522 ( 0.000 2.932 -6.596) 7.218 23.075 ( 0.000 -1.425 -9.781) 9.885 23.075 ( 0.000 1.425 -9.781) 9.885 23.181 ( 0.000 -1.602 -10.173) 10.298 23.181 ( 0.000 1.602 -10.173) 10.298 23.478 ( 0.000 -0.877 8.101) 8.149 23.478 ( 0.000 0.877 8.101) 8.149 23.586 ( 0.000 -1.249 7.033) 7.143 23.586 ( 0.000 1.249 7.033) 7.143 24.025 ( 0.000 -1.217 1.803) 2.175 24.025 ( 0.000 1.217 1.803) 2.175 24.124 ( 0.000 -2.453 0.393) 2.484 24.124 ( 0.000 2.453 0.393) 2.484 24.668 ( 0.000 -3.690 0.611) 3.741 24.668 ( 0.000 3.690 0.611) 3.741 24.766 ( 0.000 -3.126 3.338) 4.573 24.766 ( 0.000 3.126 3.338) 4.573 25.228 ( 0.000 -4.174 2.778) 5.014 25.228 ( 0.000 4.174 2.778) 5.014 25.332 ( 0.000 -5.327 -0.209) 5.331 25.332 ( 0.000 5.327 -0.209) 5.331 25.493 ( 0.000 -1.173 -2.395) 2.667 25.493 ( 0.000 1.173 -2.395) 2.667 25.554 ( 0.000 -1.088 -2.342) 2.582 25.554 ( 0.000 1.088 -2.342) 2.582 25.992 ( 0.000 -0.724 -2.779) 2.872 25.992 ( 0.000 0.724 -2.779) 2.872 26.161 ( 0.000 -5.387 -2.859) 6.099 26.161 ( 0.000 5.387 -2.859) 6.099 26.196 ( 0.000 -2.171 2.019) 2.965 26.196 ( 0.000 2.171 2.019) 2.965 26.257 ( 0.000 -1.006 3.064) 3.225 26.257 ( 0.000 1.006 3.064) 3.225 26.431 ( 0.000 -0.999 -1.593) 1.880 26.431 ( 0.000 0.999 -1.593) 1.880 26.490 ( 0.000 -1.253 -0.758) 1.464 26.490 ( 0.000 1.253 -0.758) 1.464 26.896 ( 0.000 -0.738 0.881) 1.149 26.896 ( 0.000 0.738 0.881) 1.149 26.943 ( 0.000 -0.696 1.094) 1.297 26.943 ( 0.000 0.696 1.094) 1.297 27.329 ( 0.000 -0.378 0.336) 0.505 27.329 ( 0.000 0.378 0.336) 0.505 27.381 ( 0.000 -0.867 0.633) 1.074 27.381 ( 0.000 0.867 0.633) 1.074 28.219 ( 0.000 -0.390 -1.147) 1.212 28.219 ( 0.000 0.390 -1.147) 1.212 28.274 ( 0.000 -1.336 -1.770) 2.218 28.274 ( 0.000 1.336 -1.770) 2.218 28.852 ( 0.000 -1.290 -0.184) 1.303 28.852 ( 0.000 1.290 -0.184) 1.303 28.886 ( 0.000 -1.605 1.363) 2.106 28.886 ( 0.000 1.605 1.363) 2.106 29.303 ( 0.000 -0.989 -1.119) 1.494 29.303 ( 0.000 0.989 -1.119) 1.494 29.319 ( 0.000 -1.122 -0.715) 1.331 29.319 ( 0.000 1.122 -0.715) 1.331 29.657 ( 0.000 -1.228 0.770) 1.450 29.657 ( 0.000 1.228 0.770) 1.450 29.681 ( 0.000 -2.687 0.471) 2.728 29.681 ( 0.000 2.687 0.471) 2.728 ======================= Grid point 67 (29/60) ======================= q-point: ( 0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.106 ( 0.740 -3.446 -0.025) 3.525 4.106 ( 0.740 3.446 -0.025) 3.525 4.186 ( -1.470 -5.543 -2.428) 6.227 4.186 ( -1.470 5.543 -2.428) 6.227 5.702 ( 5.516 -29.843 7.189) 31.188 5.702 ( 5.516 29.843 7.189) 31.188 6.081 ( 6.836 -27.366 17.026) 32.947 6.081 ( 6.836 27.366 17.026) 32.947 6.682 ( -11.877 -12.389 2.654) 17.367 6.682 ( -11.877 12.389 2.654) 17.367 6.969 ( -24.099 -0.988 5.877) 24.825 6.969 ( -24.099 0.988 5.877) 24.825 7.622 ( 4.284 -16.273 14.565) 22.255 7.622 ( 4.284 16.273 14.565) 22.255 7.713 ( -6.422 -10.242 3.656) 12.630 7.713 ( -6.422 10.242 3.656) 12.630 8.586 ( 6.129 -9.268 -9.548) 14.650 8.586 ( 6.129 9.268 -9.548) 14.650 8.857 ( -8.356 -15.578 -4.182) 18.165 8.857 ( -8.356 15.578 -4.182) 18.165 9.192 ( 1.725 -16.867 -12.945) 21.332 9.192 ( 1.725 16.867 -12.945) 21.332 9.403 ( 7.474 -29.430 -2.171) 30.442 9.403 ( 7.474 29.430 -2.171) 30.442 9.604 ( 1.017 -13.606 1.226) 13.699 9.604 ( 1.017 13.606 1.226) 13.699 9.793 ( 15.401 -11.693 -1.966) 19.437 9.793 ( 15.401 11.693 -1.966) 19.437 10.245 ( 4.176 -3.106 -8.350) 9.839 10.245 ( 4.176 3.106 -8.350) 9.839 10.549 ( -3.173 -9.675 -2.221) 10.421 10.549 ( -3.173 9.675 -2.221) 10.421 10.879 ( 8.813 -17.894 -13.575) 24.128 10.879 ( 8.813 17.894 -13.575) 24.128 11.186 ( 0.012 -9.469 -7.461) 12.055 11.186 ( 0.012 9.469 -7.461) 12.055 11.317 ( -1.465 -10.906 -5.791) 12.434 11.317 ( -1.465 10.906 -5.791) 12.434 11.515 ( 2.631 -6.198 6.998) 9.711 11.515 ( 2.631 6.198 6.998) 9.711 11.926 ( -4.081 -17.198 4.987) 18.366 11.926 ( -4.081 17.198 4.987) 18.366 12.000 ( 4.053 -4.490 9.894) 11.596 12.000 ( 4.053 4.490 9.894) 11.596 12.317 ( 0.226 -3.097 6.854) 7.525 12.317 ( 0.226 3.097 6.854) 7.525 12.623 ( -2.893 -6.016 -0.152) 6.677 12.623 ( -2.893 6.016 -0.152) 6.677 12.878 ( 5.107 -12.991 2.503) 14.181 12.878 ( 5.107 12.991 2.503) 14.181 13.104 ( -10.555 -5.690 1.599) 12.098 13.104 ( -10.555 5.690 1.599) 12.098 13.328 ( 1.955 -13.305 17.636) 22.178 13.328 ( 1.955 13.305 17.636) 22.178 13.727 ( -6.738 -20.804 4.824) 22.393 13.727 ( -6.738 20.804 4.824) 22.393 14.648 ( 6.952 -6.635 0.382) 9.618 14.648 ( 6.952 6.635 0.382) 9.618 15.155 ( -5.298 -3.327 -7.134) 9.488 15.155 ( -5.298 3.327 -7.134) 9.488 15.563 ( 4.338 -9.825 -11.522) 15.751 15.563 ( 4.338 9.825 -11.522) 15.751 15.800 ( -2.596 -11.586 -8.356) 14.519 15.800 ( -2.596 11.586 -8.356) 14.519 16.365 ( 0.775 -2.317 4.463) 5.088 16.365 ( 0.775 2.317 4.463) 5.088 16.667 ( -8.769 -2.550 0.791) 9.167 16.667 ( -8.769 2.550 0.791) 9.167 16.872 ( 0.776 -1.729 4.451) 4.837 16.872 ( 0.776 1.729 4.451) 4.837 16.946 ( -0.981 -5.883 3.235) 6.786 16.946 ( -0.981 5.883 3.235) 6.786 17.206 ( 4.420 -11.935 -0.306) 12.730 17.206 ( 4.420 11.935 -0.306) 12.730 17.291 ( 0.373 -12.095 -0.568) 12.114 17.291 ( 0.373 12.095 -0.568) 12.114 17.617 ( 2.902 -12.161 3.606) 13.012 17.617 ( 2.902 12.161 3.606) 13.012 17.762 ( -0.704 -8.788 2.471) 9.156 17.762 ( -0.704 8.788 2.471) 9.156 18.588 ( 0.261 -9.606 -19.630) 21.856 18.588 ( 0.261 9.606 -19.630) 21.856 18.644 ( -1.392 -9.079 -20.007) 22.014 18.644 ( -1.392 9.079 -20.007) 22.014 19.259 ( 1.395 -10.930 -10.276) 15.067 19.259 ( 1.395 10.930 -10.276) 15.067 19.342 ( -0.757 -12.255 -11.514) 16.832 19.342 ( -0.757 12.255 -11.514) 16.832 19.891 ( 2.625 -5.971 11.131) 12.901 19.891 ( 2.625 5.971 11.131) 12.901 20.043 ( 1.102 -9.852 11.877) 15.471 20.043 ( 1.102 9.852 11.877) 15.471 20.128 ( -0.148 -3.836 6.949) 7.939 20.128 ( -0.148 3.836 6.949) 7.939 20.345 ( -4.074 -3.336 -1.849) 5.581 20.345 ( -4.074 3.336 -1.849) 5.581 20.665 ( 0.054 -1.596 3.265) 3.635 20.665 ( 0.054 1.596 3.265) 3.635 20.755 ( -1.997 -3.321 6.305) 7.400 20.755 ( -1.997 3.321 6.305) 7.400 21.148 ( 3.701 -4.063 7.805) 9.546 21.148 ( 3.701 4.063 7.805) 9.546 21.380 ( -2.572 -3.732 3.860) 5.953 21.380 ( -2.572 3.732 3.860) 5.953 21.608 ( -1.724 -3.943 -0.053) 4.303 21.608 ( -1.724 3.943 -0.053) 4.303 21.629 ( -2.615 -4.453 0.824) 5.229 21.629 ( -2.615 4.453 0.824) 5.229 21.808 ( 3.360 -5.017 1.893) 6.327 21.808 ( 3.360 5.017 1.893) 6.327 21.879 ( 0.644 -0.676 2.744) 2.898 21.879 ( 0.644 0.676 2.744) 2.898 22.116 ( 0.978 -3.308 2.443) 4.228 22.116 ( 0.978 3.308 2.443) 4.228 22.158 ( 0.294 -4.180 2.213) 4.739 22.158 ( 0.294 4.180 2.213) 4.739 22.490 ( 0.910 -1.340 -4.594) 4.871 22.490 ( 0.910 1.340 -4.594) 4.871 22.525 ( 0.189 -2.701 -6.203) 6.768 22.525 ( 0.189 2.701 -6.203) 6.768 23.083 ( 0.823 -1.599 -9.678) 9.843 23.083 ( 0.823 1.599 -9.678) 9.843 23.167 ( -1.374 -1.637 -9.860) 10.089 23.167 ( -1.374 1.637 -9.860) 10.089 23.489 ( 1.191 -1.199 7.857) 8.036 23.489 ( 1.191 1.199 7.857) 8.036 23.577 ( -0.977 -1.270 6.995) 7.176 23.577 ( -0.977 1.270 6.995) 7.176 24.037 ( 1.198 -0.706 1.713) 2.207 24.037 ( 1.198 0.706 1.713) 2.207 24.116 ( -0.877 -2.416 0.637) 2.649 24.116 ( -0.877 2.416 0.637) 2.649 24.673 ( 0.539 -3.557 0.918) 3.713 24.673 ( 0.539 3.557 0.918) 3.713 24.751 ( -1.481 -3.134 3.142) 4.679 24.751 ( -1.481 3.134 3.142) 4.679 25.241 ( 1.391 -4.256 2.452) 5.104 25.241 ( 1.391 4.256 2.452) 5.104 25.325 ( -0.780 -5.170 0.082) 5.229 25.325 ( -0.780 5.170 0.082) 5.229 25.495 ( 0.277 -1.037 -2.355) 2.588 25.495 ( 0.277 1.037 -2.355) 2.588 25.545 ( -0.911 -0.848 -2.269) 2.588 25.545 ( -0.911 0.848 -2.269) 2.588 26.008 ( 1.638 -1.216 -2.933) 3.573 26.008 ( 1.638 1.216 -2.933) 3.573 26.142 ( -1.892 -3.886 -2.869) 5.188 26.142 ( -1.892 3.886 -2.869) 5.188 26.205 ( 0.781 -0.889 1.895) 2.234 26.205 ( 0.781 0.889 1.895) 2.234 26.251 ( -0.616 -0.916 3.047) 3.241 26.251 ( -0.616 0.916 3.047) 3.241 26.440 ( 0.833 -1.030 -1.441) 1.957 26.440 ( 0.833 1.030 -1.441) 1.957 26.486 ( -0.437 -1.179 -0.787) 1.484 26.486 ( -0.437 1.179 -0.787) 1.484 26.900 ( 0.484 -0.764 0.891) 1.270 26.900 ( 0.484 0.764 0.891) 1.270 26.938 ( -0.482 -0.729 1.066) 1.378 26.938 ( -0.482 0.729 1.066) 1.378 27.334 ( 0.532 -0.319 0.373) 0.724 27.334 ( 0.532 0.319 0.373) 0.724 27.376 ( -0.511 -0.806 0.615) 1.136 27.376 ( -0.511 0.806 0.615) 1.136 28.224 ( 0.536 -0.673 -1.204) 1.480 28.224 ( 0.536 0.673 -1.204) 1.480 28.268 ( -0.573 -1.335 -1.709) 2.243 28.268 ( -0.573 1.335 -1.709) 2.243 28.854 ( 0.275 -1.362 -0.063) 1.391 28.854 ( 0.275 1.362 -0.063) 1.391 28.882 ( -0.409 -1.610 1.188) 2.042 28.882 ( -0.409 1.610 1.188) 2.042 29.304 ( 0.157 -0.975 -1.060) 1.448 29.304 ( 0.157 0.975 -1.060) 1.448 29.317 ( -0.170 -1.083 -0.726) 1.315 29.317 ( -0.170 1.083 -0.726) 1.315 29.660 ( 0.352 -1.627 0.735) 1.820 29.660 ( 0.352 1.627 0.735) 1.820 29.680 ( -0.128 -2.658 0.495) 2.706 29.680 ( -0.128 2.658 0.495) 2.706 ======================= Grid point 69 (30/60) ======================= q-point: ( 0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.126 ( 1.379 -2.295 -0.399) 2.708 4.126 ( 1.379 2.295 -0.399) 2.708 4.155 ( -1.763 -1.852 -1.172) 2.812 4.155 ( -1.763 1.852 -1.172) 2.812 5.883 ( 14.975 -27.447 5.228) 31.701 5.883 ( 14.975 27.447 5.228) 31.701 6.181 ( -7.142 -13.766 8.994) 17.928 6.181 ( -7.142 13.766 8.994) 17.928 6.412 ( -3.847 -22.579 6.878) 23.915 6.412 ( -3.847 22.579 6.878) 23.915 6.603 ( -15.582 -16.027 11.567) 25.168 6.603 ( -15.582 16.027 11.567) 25.168 7.634 ( -0.619 -18.429 7.926) 20.071 7.634 ( -0.619 18.429 7.926) 20.071 7.651 ( -1.728 -12.897 7.592) 15.066 7.651 ( -1.728 12.897 7.592) 15.066 8.675 ( 3.939 -7.373 -7.522) 11.246 8.675 ( 3.939 7.373 -7.522) 11.246 8.748 ( -4.339 -6.459 -6.754) 10.304 8.748 ( -4.339 6.459 -6.754) 10.304 9.239 ( 4.952 -18.126 -12.410) 22.519 9.239 ( 4.952 18.126 -12.410) 22.519 9.363 ( -7.338 -16.054 -6.953) 18.971 9.363 ( -7.338 16.054 -6.953) 18.971 9.791 ( 11.718 -32.729 1.590) 34.800 9.791 ( 11.718 32.729 1.590) 34.800 9.905 ( -0.778 -26.948 -3.977) 27.251 9.905 ( -0.778 26.948 -3.977) 27.251 10.498 ( 13.955 -24.007 0.606) 27.775 10.498 ( 13.955 24.007 0.606) 27.775 10.565 ( 6.896 -19.410 0.863) 20.617 10.565 ( 6.896 19.410 0.863) 20.617 10.911 ( -3.652 -19.200 -7.728) 21.017 10.911 ( -3.652 19.200 -7.728) 21.017 11.035 ( -14.380 -23.354 -2.100) 27.507 11.035 ( -14.380 23.354 -2.100) 27.507 11.367 ( 6.387 -9.611 -4.417) 12.356 11.367 ( 6.387 9.611 -4.417) 12.356 11.477 ( -5.145 -9.056 4.070) 11.182 11.477 ( -5.145 9.056 4.070) 11.182 11.988 ( 10.987 -9.835 -6.790) 16.234 11.988 ( 10.987 9.835 -6.790) 16.234 12.111 ( 2.037 -7.031 -0.714) 7.355 12.111 ( 2.037 7.031 -0.714) 7.355 12.343 ( 2.956 -3.490 9.349) 10.408 12.343 ( 2.956 3.490 9.349) 10.408 12.491 ( -11.214 -6.995 4.104) 13.840 12.491 ( -11.214 6.995 4.104) 13.840 12.934 ( 1.497 -5.659 -0.830) 5.912 12.934 ( 1.497 5.659 -0.830) 5.912 12.972 ( -2.433 -12.988 2.465) 13.442 12.972 ( -2.433 12.988 2.465) 13.442 13.391 ( 5.864 -11.291 16.064) 20.492 13.391 ( 5.864 11.291 16.064) 20.492 13.553 ( -10.949 -21.262 10.638) 26.175 13.553 ( -10.949 21.262 10.638) 26.175 14.822 ( 11.189 -6.210 -1.120) 12.846 14.822 ( 11.189 6.210 -1.120) 12.846 15.018 ( -9.604 -3.282 -4.063) 10.932 15.018 ( -9.604 3.282 -4.063) 10.932 15.651 ( 4.939 -9.752 -10.665) 15.273 15.651 ( 4.939 9.752 -10.665) 15.273 15.736 ( -4.262 -10.860 -9.317) 14.931 15.736 ( -4.262 10.860 -9.317) 14.931 16.403 ( 3.826 -3.157 2.074) 5.376 16.403 ( 3.826 3.157 2.074) 5.376 16.509 ( -7.688 -2.608 0.767) 8.154 16.509 ( -7.688 2.608 0.767) 8.154 16.894 ( 1.430 -4.511 4.687) 6.661 16.894 ( 1.430 4.511 4.687) 6.661 16.921 ( -1.543 -6.492 4.663) 8.140 16.921 ( -1.543 6.492 4.663) 8.140 17.269 ( 2.293 -10.722 -1.243) 11.034 17.269 ( 2.293 10.722 -1.243) 11.034 17.292 ( -0.420 -11.117 -0.915) 11.163 17.292 ( -0.420 11.117 -0.915) 11.163 17.681 ( 3.662 -10.897 3.706) 12.079 17.681 ( 3.662 10.897 3.706) 12.079 17.736 ( -2.241 -9.804 3.291) 10.582 17.736 ( -2.241 9.804 3.291) 10.582 18.597 ( 0.778 -8.909 -19.165) 21.149 18.597 ( 0.778 8.909 -19.165) 21.149 18.617 ( -1.394 -8.613 -19.274) 21.157 18.617 ( -1.394 8.613 -19.274) 21.157 19.290 ( 1.837 -11.218 -11.095) 15.884 19.290 ( 1.837 11.218 -11.095) 15.884 19.321 ( -1.473 -11.780 -11.503) 16.530 19.321 ( -1.473 11.780 -11.503) 16.530 19.954 ( 4.104 -5.591 9.528) 11.785 19.954 ( 4.104 5.591 9.528) 11.785 20.025 ( -3.152 -7.610 11.518) 14.161 20.025 ( -3.152 7.610 11.518) 14.161 20.165 ( 4.150 -0.859 4.735) 6.354 20.165 ( 4.150 0.859 4.735) 6.354 20.255 ( -5.332 -2.372 2.087) 6.197 20.255 ( -5.332 2.372 2.087) 6.197 20.676 ( 1.272 -2.607 4.803) 5.611 20.676 ( 1.272 2.607 4.803) 5.611 20.711 ( -2.479 -3.156 5.904) 7.139 20.711 ( -2.479 3.156 5.904) 7.139 21.230 ( 4.923 -3.315 5.624) 8.177 21.230 ( 4.923 3.315 5.624) 8.177 21.316 ( -4.263 -3.202 4.290) 6.844 21.316 ( -4.263 3.202 4.290) 6.844 21.582 ( -0.604 -5.282 0.931) 5.398 21.582 ( -0.604 5.282 0.931) 5.398 21.591 ( -1.450 -4.374 1.622) 4.885 21.591 ( -1.450 4.374 1.622) 4.885 21.860 ( 2.188 -2.885 1.810) 4.048 21.860 ( 2.188 2.885 1.810) 4.048 21.884 ( -0.379 -1.081 2.088) 2.382 21.884 ( -0.379 1.081 2.088) 2.382 22.138 ( 1.293 -3.131 1.689) 3.785 22.138 ( 1.293 3.131 1.689) 3.785 22.156 ( -0.542 -3.401 1.729) 3.853 22.156 ( -0.542 3.401 1.729) 3.853 22.510 ( 1.082 -1.967 -5.161) 5.628 22.510 ( 1.082 1.967 -5.161) 5.628 22.524 ( -0.375 -2.338 -5.603) 6.083 22.524 ( -0.375 2.338 -5.603) 6.083 23.105 ( 1.515 -1.805 -9.446) 9.735 23.105 ( 1.515 1.805 -9.446) 9.735 23.136 ( -1.871 -1.751 -9.439) 9.780 23.136 ( -1.871 1.751 -9.439) 9.780 23.518 ( 1.878 -1.439 7.373) 7.743 23.518 ( 1.878 1.439 7.373) 7.743 23.552 ( -1.721 -1.387 7.038) 7.376 23.552 ( -1.721 1.387 7.038) 7.376 24.064 ( 1.669 -0.812 1.492) 2.382 24.064 ( 1.669 0.812 1.492) 2.382 24.094 ( -1.490 -1.952 1.122) 2.700 24.094 ( -1.490 1.952 1.122) 2.700 24.689 ( 1.296 -3.304 1.683) 3.928 24.689 ( 1.296 3.304 1.683) 3.928 24.719 ( -1.852 -3.162 2.541) 4.459 24.719 ( -1.852 3.162 2.541) 4.459 25.272 ( 1.857 -4.458 1.684) 5.114 25.272 ( 1.857 4.458 1.684) 5.114 25.304 ( -1.521 -4.789 0.807) 5.089 25.304 ( -1.521 4.789 0.807) 5.089 25.505 ( 0.854 -0.532 -2.257) 2.471 25.505 ( 0.854 0.532 -2.257) 2.471 25.525 ( -1.226 -0.254 -2.199) 2.530 25.525 ( -1.226 0.254 -2.199) 2.530 26.048 ( 2.642 -1.962 -3.175) 4.573 26.048 ( 2.642 1.962 -3.175) 4.573 26.098 ( -2.730 -2.736 -3.172) 5.000 26.098 ( -2.730 2.736 -3.172) 5.000 26.221 ( 0.918 -0.680 2.266) 2.537 26.221 ( 0.918 0.680 2.266) 2.537 26.237 ( -0.855 -0.846 2.771) 3.020 26.237 ( -0.855 0.846 2.771) 3.020 26.457 ( 1.011 -1.007 -1.147) 1.831 26.457 ( 1.011 1.007 -1.147) 1.831 26.474 ( -0.798 -1.044 -0.907) 1.597 26.474 ( -0.798 1.044 -0.907) 1.597 26.912 ( 0.775 -0.800 0.930) 1.451 26.912 ( 0.775 0.800 0.930) 1.451 26.927 ( -0.775 -0.786 0.998) 1.488 26.927 ( -0.775 0.786 0.998) 1.488 27.347 ( 0.850 -0.381 0.463) 1.040 27.347 ( 0.850 0.381 0.463) 1.040 27.363 ( -0.836 -0.622 0.557) 1.182 27.363 ( -0.836 0.622 0.557) 1.182 28.238 ( 0.883 -1.051 -1.357) 1.930 28.238 ( 0.883 1.051 -1.357) 1.930 28.254 ( -0.906 -1.272 -1.550) 2.200 28.254 ( -0.906 1.272 -1.550) 2.200 28.862 ( 0.512 -1.499 0.280) 1.609 28.862 ( 0.512 1.499 0.280) 1.609 28.872 ( -0.595 -1.590 0.758) 1.859 28.872 ( -0.595 1.590 0.758) 1.859 29.308 ( 0.272 -0.963 -0.919) 1.358 29.308 ( 0.272 0.963 -0.919) 1.358 29.313 ( -0.280 -1.005 -0.787) 1.307 29.313 ( -0.280 1.005 -0.787) 1.307 29.668 ( 0.458 -2.200 0.651) 2.339 29.668 ( 0.458 2.200 0.651) 2.339 29.675 ( -0.320 -2.530 0.560) 2.611 29.675 ( -0.320 2.530 0.560) 2.611 ======================= Grid point 90 (31/60) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( 0.000 0.000 57.199) 57.199 2.986 ( 0.000 0.000 72.164) 72.164 3.629 ( 0.000 0.000 9.966) 9.966 3.846 ( 0.000 0.000 -6.016) 6.016 3.930 ( 0.000 0.000 -5.902) 5.902 4.303 ( 0.000 0.000 14.614) 14.614 5.009 ( 0.000 0.000 107.873) 107.873 5.522 ( 0.000 0.000 -45.887) 45.887 5.667 ( 0.000 0.000 33.725) 33.725 5.801 ( 0.000 0.000 -48.532) 48.532 6.257 ( 0.000 0.000 35.546) 35.546 6.479 ( 0.000 0.000 -10.406) 10.406 7.100 ( 0.000 0.000 4.779) 4.779 7.156 ( 0.000 0.000 6.575) 6.575 7.200 ( 0.000 0.000 -38.251) 38.251 7.868 ( 0.000 0.000 -2.563) 2.563 7.877 ( 0.000 0.000 -8.516) 8.516 8.232 ( 0.000 0.000 2.808) 2.808 8.490 ( 0.000 0.000 20.211) 20.211 8.600 ( 0.000 0.000 -22.069) 22.069 8.620 ( 0.000 0.000 2.031) 2.031 8.757 ( 0.000 0.000 -0.541) 0.541 8.990 ( 0.000 0.000 -15.660) 15.660 9.373 ( 0.000 0.000 -10.353) 10.353 9.398 ( 0.000 0.000 10.268) 10.268 9.474 ( 0.000 0.000 -3.499) 3.499 9.533 ( 0.000 0.000 15.118) 15.118 9.589 ( 0.000 0.000 -7.765) 7.765 9.646 ( 0.000 0.000 -2.552) 2.552 9.753 ( 0.000 0.000 -2.914) 2.914 9.995 ( 0.000 0.000 7.276) 7.276 10.437 ( 0.000 0.000 34.838) 34.838 10.570 ( 0.000 0.000 13.554) 13.554 10.686 ( 0.000 0.000 7.862) 7.862 10.917 ( 0.000 0.000 -4.395) 4.395 11.045 ( 0.000 0.000 2.885) 2.885 11.071 ( 0.000 0.000 0.533) 0.533 11.186 ( 0.000 0.000 4.785) 4.785 11.323 ( 0.000 0.000 1.827) 1.827 11.412 ( 0.000 0.000 -27.926) 27.926 11.574 ( 0.000 0.000 -14.082) 14.082 11.597 ( 0.000 0.000 8.543) 8.543 12.122 ( 0.000 0.000 -44.976) 44.976 12.182 ( 0.000 0.000 -8.768) 8.768 12.260 ( 0.000 0.000 -1.309) 1.309 12.365 ( 0.000 0.000 -16.321) 16.321 12.548 ( 0.000 0.000 -19.795) 19.795 12.741 ( 0.000 0.000 -38.515) 38.515 12.805 ( 0.000 0.000 23.950) 23.950 13.430 ( 0.000 0.000 -9.127) 9.127 13.487 ( 0.000 0.000 -3.730) 3.730 13.605 ( 0.000 0.000 -6.852) 6.852 13.957 ( 0.000 0.000 5.716) 5.716 14.029 ( 0.000 0.000 -1.956) 1.956 14.216 ( 0.000 0.000 19.622) 19.622 14.255 ( 0.000 0.000 -9.017) 9.017 14.662 ( 0.000 0.000 -17.614) 17.614 14.766 ( 0.000 0.000 4.475) 4.475 14.904 ( 0.000 0.000 12.227) 12.227 15.015 ( 0.000 0.000 6.290) 6.290 15.058 ( 0.000 0.000 -21.400) 21.400 15.566 ( 0.000 0.000 -1.621) 1.621 15.602 ( 0.000 0.000 -14.646) 14.646 16.044 ( 0.000 0.000 -12.985) 12.985 16.209 ( 0.000 0.000 7.987) 7.987 16.265 ( 0.000 0.000 10.827) 10.827 16.623 ( 0.000 0.000 16.891) 16.891 16.953 ( 0.000 0.000 10.918) 10.918 16.987 ( 0.000 0.000 15.200) 15.200 17.154 ( 0.000 0.000 10.092) 10.092 17.318 ( 0.000 0.000 14.306) 14.306 17.372 ( 0.000 0.000 6.989) 6.989 17.403 ( 0.000 0.000 -6.699) 6.699 17.447 ( 0.000 0.000 -6.168) 6.168 17.453 ( 0.000 0.000 16.922) 16.922 17.664 ( 0.000 0.000 -14.593) 14.593 17.764 ( 0.000 0.000 -6.663) 6.663 17.814 ( 0.000 0.000 3.836) 3.836 17.833 ( 0.000 0.000 17.693) 17.693 17.950 ( 0.000 0.000 -6.401) 6.401 17.971 ( 0.000 0.000 2.927) 2.927 18.207 ( 0.000 0.000 -13.987) 13.987 18.260 ( 0.000 0.000 -18.563) 18.563 18.541 ( 0.000 0.000 -15.076) 15.076 18.984 ( 0.000 0.000 27.911) 27.911 19.096 ( 0.000 0.000 31.396) 31.396 19.433 ( 0.000 0.000 13.903) 13.903 19.582 ( 0.000 0.000 15.758) 15.758 19.770 ( 0.000 0.000 -4.633) 4.633 19.984 ( 0.000 0.000 -4.509) 4.509 20.273 ( 0.000 0.000 -17.167) 17.167 20.394 ( 0.000 0.000 -14.493) 14.493 20.416 ( 0.000 0.000 7.130) 7.130 20.494 ( 0.000 0.000 1.384) 1.384 20.663 ( 0.000 0.000 -5.654) 5.654 20.803 ( 0.000 0.000 -10.412) 10.412 20.939 ( 0.000 0.000 -6.204) 6.204 20.984 ( 0.000 0.000 4.959) 4.959 21.040 ( 0.000 0.000 -3.055) 3.055 21.068 ( 0.000 0.000 0.517) 0.517 21.113 ( 0.000 0.000 -2.013) 2.013 21.163 ( 0.000 0.000 -0.878) 0.878 21.169 ( 0.000 0.000 -13.948) 13.948 21.197 ( 0.000 0.000 -3.207) 3.207 21.324 ( 0.000 0.000 2.201) 2.201 21.347 ( 0.000 0.000 0.500) 0.500 21.561 ( 0.000 0.000 5.192) 5.192 21.627 ( 0.000 0.000 1.178) 1.178 21.692 ( 0.000 0.000 11.539) 11.539 21.756 ( 0.000 0.000 8.457) 8.457 21.838 ( 0.000 0.000 -0.371) 0.371 22.073 ( 0.000 0.000 9.890) 9.890 22.075 ( 0.000 0.000 -4.420) 4.420 22.229 ( 0.000 0.000 7.893) 7.893 22.388 ( 0.000 0.000 -4.004) 4.004 22.429 ( 0.000 0.000 -0.841) 0.841 22.489 ( 0.000 0.000 -6.225) 6.225 22.493 ( 0.000 0.000 6.682) 6.682 22.613 ( 0.000 0.000 -10.668) 10.668 22.664 ( 0.000 0.000 -8.847) 8.847 22.691 ( 0.000 0.000 -8.449) 8.449 22.703 ( 0.000 0.000 -9.861) 9.861 22.716 ( 0.000 0.000 -2.558) 2.558 22.813 ( 0.000 0.000 -5.487) 5.487 23.429 ( 0.000 0.000 0.939) 0.939 23.473 ( 0.000 0.000 -0.854) 0.854 23.746 ( 0.000 0.000 4.029) 4.029 23.761 ( 0.000 0.000 9.309) 9.309 23.840 ( 0.000 0.000 -1.314) 1.314 23.999 ( 0.000 0.000 3.432) 3.432 24.070 ( 0.000 0.000 -5.158) 5.158 24.201 ( 0.000 0.000 -5.074) 5.074 24.651 ( 0.000 0.000 24.153) 24.153 24.828 ( 0.000 0.000 23.160) 23.160 25.086 ( 0.000 0.000 4.870) 4.870 25.187 ( 0.000 0.000 3.525) 3.525 25.265 ( 0.000 0.000 -3.500) 3.500 25.291 ( 0.000 0.000 -6.683) 6.683 25.307 ( 0.000 0.000 -2.017) 2.017 25.372 ( 0.000 0.000 -6.932) 6.932 25.536 ( 0.000 0.000 7.335) 7.335 25.603 ( 0.000 0.000 6.373) 6.373 25.637 ( 0.000 0.000 -0.594) 0.594 25.639 ( 0.000 0.000 2.911) 2.911 25.789 ( 0.000 0.000 -1.317) 1.317 25.852 ( 0.000 0.000 -1.734) 1.734 25.976 ( 0.000 0.000 -12.105) 12.105 26.088 ( 0.000 0.000 -15.143) 15.143 26.103 ( 0.000 0.000 2.461) 2.461 26.214 ( 0.000 0.000 1.250) 1.250 26.218 ( 0.000 0.000 -1.794) 1.794 26.256 ( 0.000 0.000 -0.821) 0.821 26.540 ( 0.000 0.000 4.541) 4.541 26.566 ( 0.000 0.000 1.991) 1.991 26.592 ( 0.000 0.000 3.312) 3.312 26.622 ( 0.000 0.000 3.534) 3.534 26.695 ( 0.000 0.000 -1.124) 1.124 26.728 ( 0.000 0.000 -4.724) 4.724 26.732 ( 0.000 0.000 -1.032) 1.032 26.763 ( 0.000 0.000 -6.573) 6.573 27.279 ( 0.000 0.000 1.085) 1.085 27.333 ( 0.000 0.000 -1.570) 1.570 27.397 ( 0.000 0.000 -0.073) 0.073 27.403 ( 0.000 0.000 -1.011) 1.011 28.255 ( 0.000 0.000 0.126) 0.126 28.284 ( 0.000 0.000 -1.112) 1.112 28.383 ( 0.000 0.000 -0.345) 0.345 28.393 ( 0.000 0.000 -0.846) 0.846 28.858 ( 0.000 0.000 2.562) 2.562 28.924 ( 0.000 0.000 0.391) 0.391 28.950 ( 0.000 0.000 2.821) 2.821 28.989 ( 0.000 0.000 0.870) 0.870 29.147 ( 0.000 0.000 -0.185) 0.185 29.204 ( 0.000 0.000 -2.641) 2.641 29.213 ( 0.000 0.000 -0.498) 0.498 29.249 ( 0.000 0.000 -1.520) 1.520 29.787 ( 0.000 0.000 3.646) 3.646 29.882 ( 0.000 0.000 3.084) 3.084 29.931 ( 0.000 0.000 -2.914) 2.914 30.004 ( 0.000 0.000 -2.469) 2.469 ======================= Grid point 91 (32/60) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( 16.896 0.000 49.215) 52.034 3.314 ( 33.193 0.000 62.993) 71.203 3.607 ( -2.628 0.000 11.119) 11.426 3.856 ( 1.009 0.000 -5.572) 5.662 3.923 ( -0.736 0.000 -5.619) 5.667 4.365 ( 7.293 0.000 17.367) 18.836 5.326 ( 28.841 0.000 86.725) 91.395 5.473 ( -19.736 0.000 33.427) 38.819 5.520 ( -6.541 0.000 -3.870) 7.600 5.913 ( 11.950 0.000 -47.262) 48.749 5.913 ( -11.892 0.000 0.653) 11.910 6.743 ( 7.752 0.000 -9.191) 12.024 6.999 ( -3.534 0.000 5.841) 6.827 7.023 ( -17.720 0.000 -38.694) 42.559 7.217 ( 5.645 0.000 0.993) 5.732 7.791 ( -10.299 0.000 1.177) 10.366 7.845 ( -7.227 0.000 -6.058) 9.430 7.985 ( -15.407 0.000 0.434) 15.414 8.644 ( 15.408 0.000 13.692) 20.613 8.769 ( 8.507 0.000 -0.244) 8.510 8.777 ( 16.519 0.000 8.025) 18.365 8.886 ( 12.451 0.000 -1.588) 12.552 9.102 ( 13.313 0.000 -17.352) 21.871 9.410 ( -2.606 0.000 -4.294) 5.023 9.414 ( -1.493 0.000 9.469) 9.586 9.439 ( 0.869 0.000 -2.205) 2.370 9.565 ( 6.093 0.000 10.455) 12.101 9.578 ( -4.969 0.000 -4.563) 6.746 9.733 ( 5.332 0.000 -2.879) 6.059 9.744 ( 2.300 0.000 -1.709) 2.865 9.995 ( -6.456 0.000 12.575) 14.136 10.215 ( -20.943 0.000 15.415) 26.005 10.433 ( -0.598 0.000 35.164) 35.169 10.554 ( -3.011 0.000 14.341) 14.653 10.739 ( -10.627 0.000 -15.503) 18.795 10.880 ( -15.660 0.000 5.801) 16.700 11.012 ( -8.522 0.000 4.957) 9.859 11.134 ( -5.435 0.000 -21.490) 22.167 11.171 ( -12.426 0.000 -2.524) 12.679 11.449 ( 4.084 0.000 -7.929) 8.919 11.710 ( 7.575 0.000 -2.698) 8.041 11.943 ( 7.579 0.000 -14.140) 16.043 11.944 ( -35.952 0.000 -12.977) 38.222 12.075 ( 5.194 0.000 -19.864) 20.531 12.129 ( 0.786 0.000 -45.000) 45.007 12.427 ( -11.815 0.000 -31.658) 33.791 12.464 ( 13.107 0.000 -3.367) 13.532 12.704 ( -0.627 0.000 -23.548) 23.556 12.928 ( 14.240 0.000 16.383) 21.707 13.557 ( 11.484 0.000 -1.537) 11.586 13.594 ( 0.452 0.000 0.014) 0.452 13.675 ( 12.510 0.000 -6.147) 13.939 13.941 ( -9.083 0.000 6.704) 11.289 13.976 ( 2.677 0.000 3.505) 4.410 14.218 ( -2.393 0.000 9.665) 9.957 14.241 ( -1.702 0.000 -8.812) 8.975 14.517 ( -7.031 0.000 -6.730) 9.733 14.794 ( -6.930 0.000 1.184) 7.030 14.974 ( 9.939 0.000 10.829) 14.698 15.058 ( 6.116 0.000 -1.619) 6.327 15.141 ( 6.071 0.000 -15.030) 16.210 15.537 ( -2.554 0.000 -3.810) 4.587 15.671 ( 6.902 0.000 -13.405) 15.077 16.054 ( 0.136 0.000 -14.116) 14.117 16.269 ( 6.446 0.000 9.473) 11.458 16.362 ( 9.501 0.000 9.947) 13.755 16.617 ( -0.893 0.000 16.067) 16.091 16.914 ( -4.360 0.000 10.868) 11.710 16.987 ( -0.018 0.000 14.895) 14.895 17.124 ( -3.056 0.000 9.541) 10.018 17.304 ( -1.409 0.000 13.962) 14.032 17.345 ( -2.723 0.000 7.189) 7.687 17.377 ( -1.585 0.000 -0.299) 1.613 17.424 ( -1.853 0.000 -4.587) 4.947 17.499 ( 3.418 0.000 11.224) 11.733 17.679 ( 1.488 0.000 -13.696) 13.777 17.757 ( -0.748 0.000 -6.920) 6.960 17.774 ( -5.610 0.000 16.938) 17.843 17.827 ( 1.335 0.000 3.095) 3.371 17.948 ( -1.351 0.000 -0.100) 1.355 17.969 ( 1.062 0.000 -3.574) 3.729 18.172 ( -3.592 0.000 -13.190) 13.671 18.289 ( 2.860 0.000 -17.919) 18.145 18.511 ( -3.151 0.000 -15.558) 15.874 18.997 ( 1.380 0.000 28.120) 28.154 19.087 ( -0.937 0.000 31.000) 31.014 19.448 ( 1.574 0.000 13.720) 13.810 19.564 ( -1.685 0.000 14.450) 14.548 19.799 ( 2.870 0.000 -3.883) 4.828 19.968 ( -1.750 0.000 -4.534) 4.860 20.287 ( 1.408 0.000 -16.709) 16.768 20.385 ( -1.024 0.000 -14.510) 14.547 20.419 ( 0.433 0.000 6.165) 6.180 20.484 ( -1.079 0.000 1.649) 1.971 20.664 ( 0.178 0.000 -6.135) 6.138 20.775 ( -2.733 0.000 -9.935) 10.305 20.953 ( 1.497 0.000 -6.769) 6.932 20.988 ( 0.968 0.000 4.273) 4.381 21.042 ( -0.007 0.000 -3.820) 3.820 21.077 ( 0.382 0.000 0.493) 0.624 21.105 ( -0.688 0.000 -2.762) 2.846 21.158 ( -1.124 0.000 -12.475) 12.526 21.187 ( 2.097 0.000 -0.887) 2.277 21.206 ( 1.076 0.000 -2.743) 2.947 21.347 ( 2.348 0.000 1.900) 3.021 21.369 ( 2.399 0.000 1.097) 2.638 21.538 ( -2.297 0.000 4.788) 5.310 21.601 ( -2.754 0.000 1.269) 3.032 21.686 ( -0.380 0.000 11.095) 11.101 21.747 ( -1.016 0.000 9.223) 9.279 21.870 ( 2.996 0.000 -0.926) 3.136 22.054 ( -2.052 0.000 -3.009) 3.642 22.084 ( 1.341 0.000 9.805) 9.897 22.216 ( -1.362 0.000 8.443) 8.553 22.395 ( 0.742 0.000 -4.191) 4.256 22.443 ( 1.287 0.000 0.010) 1.287 22.473 ( -1.500 0.000 -6.012) 6.196 22.491 ( -0.267 0.000 6.120) 6.126 22.623 ( 0.889 0.000 -10.473) 10.510 22.661 ( -0.362 0.000 -9.011) 9.019 22.689 ( 0.053 0.000 -8.795) 8.795 22.703 ( -0.004 0.000 -9.721) 9.721 22.723 ( 0.558 0.000 -3.299) 3.346 22.801 ( -1.238 0.000 -5.456) 5.594 23.456 ( 2.948 0.000 1.503) 3.309 23.511 ( 3.943 0.000 -1.133) 4.102 23.714 ( -3.359 0.000 3.799) 5.072 23.774 ( 1.491 0.000 8.394) 8.526 23.805 ( -3.666 0.000 -1.341) 3.904 23.956 ( -3.713 0.000 2.350) 4.394 24.099 ( 2.280 0.000 -3.256) 3.975 24.196 ( -0.605 0.000 -4.528) 4.569 24.669 ( 1.877 0.000 23.951) 24.025 24.810 ( -1.855 0.000 23.111) 23.185 25.091 ( 0.626 0.000 4.810) 4.851 25.170 ( -1.622 0.000 3.533) 3.888 25.274 ( 0.777 0.000 -3.264) 3.355 25.300 ( 0.927 0.000 -6.474) 6.540 25.305 ( -0.215 0.000 -2.298) 2.308 25.365 ( -0.794 0.000 -6.714) 6.761 25.543 ( 0.724 0.000 7.288) 7.324 25.591 ( -1.376 0.000 1.005) 1.704 25.597 ( -0.629 0.000 6.492) 6.522 25.677 ( -0.958 0.000 -2.333) 2.522 25.779 ( 2.016 0.000 2.475) 3.192 25.894 ( 2.508 0.000 -1.648) 3.001 25.990 ( 1.450 0.000 -12.511) 12.594 26.080 ( -0.840 0.000 -14.937) 14.960 26.094 ( -0.610 0.000 2.262) 2.343 26.192 ( -2.244 0.000 0.224) 2.255 26.223 ( 0.838 0.000 -1.011) 1.313 26.262 ( 0.222 0.000 -1.196) 1.216 26.539 ( -0.036 0.000 4.360) 4.361 26.559 ( -0.645 0.000 2.442) 2.526 26.596 ( 0.352 0.000 3.284) 3.303 26.619 ( -0.263 0.000 3.437) 3.447 26.699 ( 0.447 0.000 -1.030) 1.123 26.729 ( -0.318 0.000 -0.991) 1.040 26.734 ( 0.599 0.000 -4.784) 4.821 26.763 ( -0.045 0.000 -6.249) 6.249 27.284 ( 0.587 0.000 0.917) 1.089 27.332 ( -0.188 0.000 -1.470) 1.482 27.391 ( -0.604 0.000 -0.075) 0.609 27.398 ( -0.445 0.000 -0.599) 0.746 28.253 ( -0.153 0.000 -0.035) 0.157 28.276 ( -0.773 0.000 -1.020) 1.280 28.387 ( 0.397 0.000 -0.356) 0.533 28.395 ( 0.231 0.000 -0.778) 0.812 28.863 ( 0.525 0.000 2.491) 2.546 28.922 ( -0.483 0.000 0.836) 0.965 28.945 ( -0.076 0.000 2.337) 2.338 28.987 ( -0.314 0.000 0.937) 0.988 29.155 ( 0.872 0.000 -0.308) 0.925 29.203 ( -0.203 0.000 -2.193) 2.202 29.210 ( -0.129 0.000 -0.617) 0.630 29.244 ( -0.539 0.000 -1.575) 1.665 29.795 ( 0.885 0.000 3.568) 3.676 29.871 ( -1.111 0.000 2.927) 3.131 29.940 ( 0.920 0.000 -2.661) 2.816 29.998 ( -0.632 0.000 -2.489) 2.567 ======================= Grid point 92 (33/60) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.289 ( 17.046 0.000 31.125) 35.487 3.517 ( -8.001 0.000 16.633) 18.457 3.879 ( 1.421 0.000 -5.031) 5.228 3.904 ( -1.277 0.000 -5.129) 5.285 4.062 ( 45.832 0.000 49.429) 67.408 4.596 ( 18.760 0.000 25.548) 31.696 4.894 ( -43.410 0.000 37.649) 57.462 5.027 ( -26.663 0.000 32.152) 41.770 6.054 ( 20.297 0.000 -26.792) 33.612 6.124 ( 33.955 0.000 37.102) 50.294 6.217 ( 20.700 0.000 -44.462) 49.044 6.601 ( -6.307 0.000 6.254) 8.882 6.631 ( -23.567 0.000 -40.986) 47.278 7.020 ( -15.135 0.000 14.172) 20.734 7.292 ( 3.445 0.000 -6.854) 7.671 7.528 ( -16.205 0.000 -10.584) 19.355 7.641 ( -0.350 0.000 20.328) 20.331 7.795 ( -9.786 0.000 11.242) 14.905 8.887 ( 7.483 0.000 9.817) 12.344 8.950 ( 15.976 0.000 5.665) 16.951 9.115 ( 6.819 0.000 8.231) 10.689 9.130 ( 14.708 0.000 -2.297) 14.887 9.139 ( -21.921 0.000 20.306) 29.881 9.291 ( -6.246 0.000 1.858) 6.517 9.323 ( 6.717 0.000 0.276) 6.722 9.401 ( -3.748 0.000 0.173) 3.752 9.612 ( 7.762 0.000 7.711) 10.941 9.649 ( 17.810 0.000 -12.658) 21.849 9.828 ( 2.171 0.000 -5.239) 5.671 9.894 ( -2.274 0.000 9.008) 9.291 9.938 ( 5.061 0.000 0.297) 5.070 10.146 ( -7.848 0.000 -1.361) 7.965 10.354 ( -8.861 0.000 26.680) 28.113 10.400 ( -3.733 0.000 34.515) 34.717 10.532 ( -2.479 0.000 -9.384) 9.706 10.720 ( -17.417 0.000 -8.341) 19.311 10.787 ( 10.900 0.000 -5.095) 12.032 11.065 ( 0.035 0.000 -3.720) 3.720 11.100 ( -2.749 0.000 -5.885) 6.495 11.251 ( -36.378 0.000 -13.729) 38.883 11.562 ( 9.384 0.000 -15.980) 18.532 11.733 ( -6.484 0.000 -4.778) 8.054 11.938 ( 4.243 0.000 -21.178) 21.599 12.079 ( -8.570 0.000 -35.655) 36.670 12.159 ( 2.798 0.000 -43.877) 43.966 12.245 ( -7.166 0.000 -40.647) 41.274 12.682 ( 9.150 0.000 -8.713) 12.635 12.751 ( 1.665 0.000 -13.135) 13.240 13.305 ( 23.233 0.000 13.868) 27.057 13.628 ( -5.722 0.000 14.067) 15.186 13.734 ( 6.858 0.000 1.346) 6.989 13.775 ( 1.188 0.000 6.246) 6.358 13.795 ( 0.523 0.000 0.345) 0.627 14.026 ( -16.961 0.000 2.599) 17.159 14.075 ( 7.262 0.000 -4.715) 8.659 14.187 ( -4.475 0.000 -7.961) 9.133 14.515 ( 5.678 0.000 -0.372) 5.690 14.651 ( -8.186 0.000 0.527) 8.203 15.100 ( 4.265 0.000 9.375) 10.299 15.133 ( 0.765 0.000 7.722) 7.759 15.301 ( 10.323 0.000 -16.552) 19.507 15.459 ( -6.481 0.000 -7.892) 10.212 15.841 ( 10.795 0.000 -13.689) 17.433 16.007 ( -6.085 0.000 -14.694) 15.905 16.416 ( 8.556 0.000 11.611) 14.423 16.522 ( 0.888 0.000 12.967) 12.997 16.617 ( 6.419 0.000 10.679) 12.459 16.793 ( -8.935 0.000 10.258) 13.604 16.998 ( 1.794 0.000 13.063) 13.185 17.055 ( -4.018 0.000 10.037) 10.812 17.280 ( -0.648 0.000 12.293) 12.310 17.294 ( -2.181 0.000 9.114) 9.371 17.363 ( 0.258 0.000 0.693) 0.740 17.385 ( -2.001 0.000 -1.844) 2.721 17.570 ( 4.433 0.000 12.646) 13.401 17.663 ( -5.897 0.000 15.200) 16.304 17.710 ( 1.756 0.000 -11.240) 11.376 17.738 ( -1.281 0.000 -8.542) 8.637 17.861 ( 2.374 0.000 2.486) 3.438 17.908 ( -2.611 0.000 2.323) 3.495 18.012 ( 3.509 0.000 -7.771) 8.527 18.091 ( -4.859 0.000 -10.958) 11.987 18.354 ( 4.205 0.000 -17.309) 17.812 18.437 ( -4.608 0.000 -16.555) 17.185 19.029 ( 1.946 0.000 28.864) 28.930 19.063 ( -1.689 0.000 29.997) 30.044 19.485 ( 2.331 0.000 13.387) 13.589 19.528 ( -2.265 0.000 13.412) 13.602 19.861 ( 3.585 0.000 -3.815) 5.235 19.923 ( -3.115 0.000 -4.336) 5.339 20.320 ( 2.106 0.000 -15.684) 15.825 20.358 ( -1.873 0.000 -14.822) 14.940 20.433 ( 1.152 0.000 4.154) 4.311 20.459 ( -1.527 0.000 2.494) 2.925 20.677 ( 1.451 0.000 -7.287) 7.430 20.719 ( -3.031 0.000 -8.755) 9.265 20.989 ( 2.266 0.000 -7.315) 7.658 21.023 ( 2.569 0.000 2.731) 3.749 21.027 ( -1.697 0.000 -6.092) 6.324 21.066 ( -1.692 0.000 1.078) 2.006 21.105 ( 0.908 0.000 -4.641) 4.729 21.131 ( -1.705 0.000 -8.595) 8.763 21.221 ( 1.349 0.000 -1.401) 1.945 21.228 ( 0.671 0.000 -1.816) 1.936 21.400 ( 3.233 0.000 2.033) 3.819 21.425 ( 2.603 0.000 1.492) 3.000 21.491 ( -1.749 0.000 3.692) 4.085 21.534 ( -4.241 0.000 1.661) 4.555 21.689 ( 0.956 0.000 10.854) 10.896 21.718 ( -1.923 0.000 10.276) 10.454 21.932 ( 3.729 0.000 -1.683) 4.091 22.001 ( -3.611 0.000 -2.539) 4.414 22.128 ( 3.088 0.000 10.650) 11.089 22.181 ( -2.485 0.000 9.559) 9.877 22.414 ( 1.337 0.000 -4.708) 4.894 22.443 ( -1.694 0.000 -5.404) 5.663 22.466 ( 1.124 0.000 2.186) 2.457 22.483 ( -0.698 0.000 4.493) 4.546 22.639 ( 0.820 0.000 -10.019) 10.053 22.652 ( -0.610 0.000 -9.456) 9.475 22.695 ( 0.481 0.000 -9.926) 9.938 22.702 ( -0.213 0.000 -10.418) 10.420 22.739 ( 1.390 0.000 -3.540) 3.803 22.771 ( -1.920 0.000 -4.990) 5.347 23.532 ( 5.140 0.000 2.450) 5.694 23.603 ( 5.122 0.000 -0.904) 5.202 23.634 ( -4.516 0.000 2.729) 5.277 23.716 ( -5.813 0.000 -1.435) 5.988 23.816 ( 3.061 0.000 6.180) 6.897 23.882 ( -4.060 0.000 3.715) 5.503 24.141 ( 2.229 0.000 -2.777) 3.561 24.176 ( -1.563 0.000 -3.444) 3.782 24.713 ( 2.845 0.000 23.536) 23.708 24.766 ( -2.830 0.000 23.196) 23.368 25.109 ( 1.288 0.000 4.538) 4.717 25.137 ( -1.808 0.000 4.010) 4.398 25.288 ( 0.719 0.000 -3.142) 3.223 25.299 ( -0.463 0.000 -2.838) 2.876 25.321 ( 1.330 0.000 -6.229) 6.370 25.345 ( -1.259 0.000 -6.340) 6.464 25.560 ( 1.131 0.000 7.108) 7.198 25.581 ( -1.074 0.000 6.794) 6.878 25.590 ( 1.214 0.000 -0.375) 1.270 25.629 ( -2.892 0.000 -1.946) 3.486 25.848 ( 4.247 0.000 2.570) 4.964 25.906 ( -1.565 0.000 0.578) 1.668 26.023 ( 1.990 0.000 -13.425) 13.572 26.057 ( -1.618 0.000 -14.333) 14.424 26.101 ( 1.646 0.000 0.867) 1.861 26.145 ( -2.776 0.000 0.025) 2.776 26.241 ( 1.034 0.000 -1.338) 1.691 26.258 ( -0.655 0.000 -1.567) 1.698 26.540 ( 0.188 0.000 3.976) 3.981 26.547 ( -0.571 0.000 3.348) 3.397 26.604 ( 0.504 0.000 3.253) 3.291 26.613 ( -0.442 0.000 3.298) 3.327 26.709 ( 0.646 0.000 -0.915) 1.120 26.721 ( -0.572 0.000 -0.918) 1.082 26.747 ( 0.770 0.000 -5.103) 5.161 26.759 ( -0.429 0.000 -5.652) 5.669 27.300 ( 1.123 0.000 0.346) 1.175 27.321 ( -0.995 0.000 -0.674) 1.202 27.384 ( 0.011 0.000 -0.156) 0.156 27.389 ( -0.480 0.000 -0.420) 0.638 28.253 ( 0.193 0.000 -0.394) 0.439 28.262 ( -0.721 0.000 -0.761) 1.049 28.394 ( 0.351 0.000 -0.442) 0.565 28.398 ( -0.007 0.000 -0.612) 0.612 28.878 ( 1.147 0.000 2.308) 2.578 28.902 ( -1.414 0.000 1.965) 2.421 28.956 ( 1.051 0.000 1.218) 1.609 28.976 ( -0.952 0.000 0.989) 1.372 29.175 ( 1.166 0.000 -0.618) 1.320 29.193 ( -0.812 0.000 -1.033) 1.314 29.214 ( 0.603 0.000 -1.378) 1.504 29.230 ( -0.950 0.000 -1.491) 1.768 29.817 ( 1.470 0.000 3.349) 3.657 29.846 ( -1.560 0.000 3.065) 3.439 29.960 ( 1.225 0.000 -2.548) 2.827 29.982 ( -1.095 0.000 -2.523) 2.751 ======================= Grid point 95 (34/60) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.258 ( 0.000 24.325 61.359) 66.005 3.265 ( 0.000 37.010 39.122) 53.854 3.720 ( 0.000 7.728 7.277) 10.615 3.942 ( 0.000 8.618 -0.871) 8.662 3.985 ( 0.000 5.614 -4.807) 7.391 4.525 ( 0.000 19.057 18.241) 26.380 5.381 ( 0.000 36.117 88.569) 95.650 5.644 ( 0.000 11.643 -38.024) 39.766 5.954 ( 0.000 25.126 26.315) 36.383 6.063 ( 0.000 21.755 -42.753) 47.970 6.482 ( 0.000 4.272 -12.242) 12.966 6.526 ( 0.000 26.228 31.862) 41.269 7.085 ( 0.000 -0.470 3.301) 3.334 7.182 ( 0.000 2.767 4.687) 5.443 7.498 ( 0.000 22.702 -27.310) 35.513 7.815 ( 0.000 -0.917 -10.212) 10.253 7.855 ( 0.000 -1.013 -3.428) 3.575 8.215 ( 0.000 -1.170 4.500) 4.649 8.480 ( 0.000 -9.761 -13.504) 16.662 8.560 ( 0.000 4.296 20.082) 20.537 8.718 ( 0.000 3.512 3.707) 5.106 8.907 ( 0.000 12.079 0.036) 12.079 9.096 ( 0.000 11.276 -16.388) 19.893 9.327 ( 0.000 -10.667 4.431) 11.551 9.379 ( 0.000 -2.236 6.373) 6.754 9.432 ( 0.000 0.197 -10.067) 10.069 9.582 ( 0.000 0.245 -3.642) 3.650 9.651 ( 0.000 2.071 -1.768) 2.723 9.790 ( 0.000 22.618 1.473) 22.666 9.888 ( 0.000 2.402 -0.830) 2.541 9.985 ( 0.000 10.001 2.357) 10.275 10.391 ( 0.000 -0.817 10.857) 10.888 10.535 ( 0.000 1.396 13.037) 13.111 10.803 ( 0.000 -11.536 4.697) 12.456 10.871 ( 0.000 3.888 -9.416) 10.187 11.009 ( 0.000 -5.744 3.333) 6.641 11.032 ( 0.000 15.484 18.976) 24.492 11.273 ( 0.000 -3.700 1.432) 3.968 11.407 ( 0.000 -0.476 -22.034) 22.039 11.427 ( 0.000 12.116 4.713) 13.001 11.475 ( 0.000 -7.645 -9.799) 12.428 11.547 ( 0.000 -2.970 4.632) 5.503 11.996 ( 0.000 -4.655 -25.656) 26.075 12.071 ( 0.000 -9.328 -8.023) 12.304 12.261 ( 0.000 -4.157 -19.789) 20.221 12.380 ( 0.000 4.340 -19.243) 19.726 12.502 ( 0.000 -2.132 -2.584) 3.350 12.811 ( 0.000 -1.343 14.681) 14.743 12.865 ( 0.000 4.491 -24.854) 25.256 13.422 ( 0.000 -6.728 -7.159) 9.824 13.443 ( 0.000 1.577 -5.506) 5.727 13.629 ( 0.000 3.085 -8.940) 9.458 13.873 ( 0.000 -7.892 8.028) 11.257 14.009 ( 0.000 -0.818 2.276) 2.418 14.204 ( 0.000 -6.395 -4.607) 7.882 14.302 ( 0.000 5.726 14.605) 15.687 14.701 ( 0.000 4.055 -16.385) 16.879 14.791 ( 0.000 1.334 0.929) 1.625 14.894 ( 0.000 -0.266 11.666) 11.669 14.994 ( 0.000 -1.791 3.972) 4.358 15.089 ( 0.000 3.129 -19.753) 19.999 15.512 ( 0.000 -4.849 -1.970) 5.234 15.575 ( 0.000 -1.872 -15.166) 15.281 15.929 ( 0.000 -7.922 -10.269) 12.970 16.305 ( 0.000 7.027 5.525) 8.939 16.311 ( 0.000 4.211 10.242) 11.074 16.668 ( 0.000 2.002 14.307) 14.447 16.850 ( 0.000 -7.945 11.824) 14.245 16.978 ( 0.000 1.891 9.232) 9.424 17.041 ( 0.000 -8.225 11.753) 14.345 17.284 ( 0.000 -9.903 -7.871) 12.650 17.296 ( 0.000 -7.194 13.476) 15.276 17.331 ( 0.000 -9.876 -7.265) 12.260 17.450 ( 0.000 5.145 13.171) 14.140 17.499 ( 0.000 5.910 11.403) 12.843 17.664 ( 0.000 -10.931 16.332) 19.652 17.698 ( 0.000 2.406 -10.632) 10.901 17.776 ( 0.000 0.553 -3.458) 3.502 17.915 ( 0.000 5.463 3.490) 6.483 17.928 ( 0.000 -3.306 -6.086) 6.926 18.002 ( 0.000 3.132 3.333) 4.574 18.120 ( 0.000 -5.576 -13.205) 14.334 18.337 ( 0.000 4.038 -17.574) 18.032 18.523 ( 0.000 -1.437 -17.716) 17.774 18.960 ( 0.000 -1.640 17.841) 17.917 19.044 ( 0.000 -3.569 20.295) 20.606 19.573 ( 0.000 11.890 19.999) 23.267 19.703 ( 0.000 -6.544 -8.985) 11.115 19.709 ( 0.000 10.584 19.706) 22.368 19.845 ( 0.000 -12.125 -12.542) 17.444 20.240 ( 0.000 -2.540 -5.833) 6.362 20.326 ( 0.000 -5.258 -12.131) 13.221 20.367 ( 0.000 -4.512 6.597) 7.992 20.466 ( 0.000 -2.687 1.513) 3.084 20.622 ( 0.000 -6.069 -2.072) 6.413 20.713 ( 0.000 -7.371 -7.009) 10.171 20.953 ( 0.000 -3.138 2.614) 4.084 20.976 ( 0.000 2.690 -7.187) 7.674 20.991 ( 0.000 -4.012 -1.895) 4.437 20.992 ( 0.000 -3.703 -2.463) 4.447 21.101 ( 0.000 -0.813 0.244) 0.849 21.196 ( 0.000 2.007 -0.222) 2.019 21.267 ( 0.000 6.788 -4.637) 8.221 21.306 ( 0.000 9.043 -12.131) 15.130 21.347 ( 0.000 2.896 2.570) 3.872 21.405 ( 0.000 4.895 -2.543) 5.516 21.582 ( 0.000 2.325 4.904) 5.427 21.620 ( 0.000 -0.353 1.719) 1.755 21.688 ( 0.000 -0.161 11.233) 11.234 21.762 ( 0.000 0.703 8.538) 8.567 21.840 ( 0.000 0.319 -0.363) 0.483 22.033 ( 0.000 -3.274 9.387) 9.942 22.057 ( 0.000 -1.775 -3.943) 4.324 22.144 ( 0.000 -5.653 5.950) 8.207 22.419 ( 0.000 -0.831 -0.714) 1.095 22.467 ( 0.000 4.720 -0.539) 4.751 22.477 ( 0.000 -1.548 7.209) 7.374 22.527 ( 0.000 -5.427 -7.756) 9.466 22.529 ( 0.000 3.008 -4.622) 5.515 22.581 ( 0.000 -4.355 -9.095) 10.084 22.699 ( 0.000 -1.018 -3.419) 3.567 22.769 ( 0.000 4.426 -9.775) 10.731 22.800 ( 0.000 5.647 -10.637) 12.043 22.815 ( 0.000 0.436 -6.002) 6.018 23.459 ( 0.000 2.741 1.177) 2.983 23.500 ( 0.000 2.423 -0.708) 2.524 23.730 ( 0.000 -1.722 6.532) 6.755 23.739 ( 0.000 -0.760 4.047) 4.117 23.899 ( 0.000 4.287 1.515) 4.546 24.006 ( 0.000 0.793 3.142) 3.241 24.075 ( 0.000 0.497 -3.171) 3.210 24.174 ( 0.000 -2.082 -2.604) 3.334 24.683 ( 0.000 2.667 20.214) 20.389 24.815 ( 0.000 -1.286 18.800) 18.844 25.026 ( 0.000 -5.320 3.074) 6.145 25.114 ( 0.000 -5.323 1.468) 5.521 25.251 ( 0.000 -1.400 -1.627) 2.146 25.299 ( 0.000 -0.695 -1.198) 1.385 25.326 ( 0.000 1.983 -4.014) 4.477 25.403 ( 0.000 2.258 -6.391) 6.778 25.531 ( 0.000 -0.517 5.907) 5.929 25.559 ( 0.000 -2.436 2.791) 3.705 25.618 ( 0.000 -2.108 3.608) 4.178 25.699 ( 0.000 4.295 1.298) 4.487 25.719 ( 0.000 -5.777 -2.392) 6.252 25.870 ( 0.000 1.649 -1.033) 1.946 25.961 ( 0.000 -1.276 -9.547) 9.632 26.091 ( 0.000 1.021 -10.726) 10.774 26.153 ( 0.000 3.102 -1.609) 3.494 26.215 ( 0.000 -0.007 1.809) 1.809 26.225 ( 0.000 0.858 -1.768) 1.965 26.262 ( 0.000 0.631 -1.080) 1.251 26.534 ( 0.000 -0.637 3.263) 3.325 26.546 ( 0.000 -1.466 1.847) 2.358 26.568 ( 0.000 -2.165 2.384) 3.220 26.600 ( 0.000 -2.053 1.832) 2.752 26.729 ( 0.000 3.040 -0.437) 3.072 26.762 ( 0.000 2.740 -0.600) 2.805 26.764 ( 0.000 3.158 -3.030) 4.376 26.782 ( 0.000 1.908 -4.603) 4.983 27.292 ( 0.000 1.257 1.053) 1.640 27.341 ( 0.000 0.750 -1.344) 1.539 27.393 ( 0.000 -0.357 0.005) 0.357 27.397 ( 0.000 -0.514 -0.507) 0.722 28.249 ( 0.000 -0.615 -0.020) 0.615 28.274 ( 0.000 -0.975 -1.112) 1.479 28.364 ( 0.000 -1.750 -0.642) 1.864 28.366 ( 0.000 -2.431 -0.749) 2.544 28.855 ( 0.000 -0.312 2.251) 2.273 28.919 ( 0.000 -0.481 0.022) 0.482 28.940 ( 0.000 -0.925 2.773) 2.923 28.993 ( 0.000 0.164 0.536) 0.560 29.163 ( 0.000 1.594 -0.425) 1.649 29.196 ( 0.000 -0.709 -1.462) 1.625 29.207 ( 0.000 -0.144 -0.543) 0.562 29.252 ( 0.000 0.330 -1.577) 1.611 29.772 ( 0.000 -1.415 3.368) 3.653 29.858 ( 0.000 -2.268 2.794) 3.599 29.905 ( 0.000 -2.466 -2.680) 3.642 29.967 ( 0.000 -3.486 -2.163) 4.103 ======================= Grid point 96 (35/60) ======================= q-point: ( 0.20 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.363 ( 10.574 31.242 33.431) 46.963 3.525 ( 25.532 18.142 49.366) 58.464 3.710 ( -1.130 8.441 7.616) 11.425 3.964 ( 2.870 9.344 1.650) 9.913 3.979 ( -0.243 6.883 -3.115) 7.559 4.588 ( 7.907 20.404 22.482) 31.374 5.557 ( -10.420 15.048 15.240) 23.817 5.706 ( 24.911 26.518 49.309) 61.279 5.829 ( -9.033 29.146 20.513) 36.768 5.979 ( -15.477 12.033 -2.714) 19.791 6.259 ( 6.133 26.527 -32.492) 42.392 6.808 ( 9.148 8.444 -4.072) 13.098 6.943 ( -10.612 -1.101 -0.540) 10.683 7.232 ( 4.169 2.422 -0.740) 4.878 7.348 ( -12.998 22.628 -26.338) 37.076 7.782 ( -5.308 0.473 2.572) 5.917 7.811 ( -8.189 -1.394 -14.910) 17.067 7.976 ( -13.354 0.767 11.360) 17.549 8.621 ( 8.031 -7.545 6.896) 12.999 8.765 ( 17.479 1.080 14.081) 22.471 8.830 ( 12.416 2.131 1.650) 12.706 9.032 ( 10.800 11.870 0.585) 16.059 9.181 ( 8.022 7.107 -10.732) 15.167 9.309 ( -2.042 -8.339 6.126) 10.547 9.374 ( 3.237 -1.922 -0.743) 3.837 9.521 ( 7.459 -3.323 -3.891) 9.046 9.655 ( 0.976 4.396 -0.527) 4.534 9.690 ( -7.588 12.423 3.366) 14.942 9.734 ( 7.804 5.059 -3.258) 9.854 9.912 ( 1.528 16.403 -4.366) 17.043 9.958 ( -8.111 1.612 8.880) 12.135 10.215 ( -15.593 5.341 14.988) 22.278 10.488 ( -4.357 -3.129 7.510) 9.229 10.583 ( -8.518 6.844 10.631) 15.245 10.732 ( -7.263 2.637 -6.061) 9.820 10.897 ( -4.150 1.455 6.104) 7.523 10.970 ( -5.346 -1.831 6.259) 8.433 11.128 ( -18.419 -3.215 -11.731) 22.073 11.298 ( -6.960 8.755 -5.590) 12.504 11.385 ( -1.080 -2.310 -5.885) 6.414 11.634 ( 1.366 -3.619 -1.207) 4.052 11.787 ( 7.136 -6.549 -20.108) 22.319 12.025 ( -4.396 0.092 -24.140) 24.537 12.084 ( 7.861 -0.102 -11.581) 13.997 12.201 ( 0.424 6.167 -19.653) 20.602 12.392 ( -6.020 -2.182 -22.806) 23.688 12.495 ( 4.412 2.385 -4.879) 6.997 12.682 ( -6.684 -2.824 -13.201) 15.064 12.927 ( 9.249 -1.122 4.104) 10.181 13.379 ( 1.307 -12.416 -4.228) 13.181 13.663 ( 8.057 -1.116 3.168) 8.729 13.681 ( 7.828 2.512 -6.337) 10.380 13.850 ( -0.741 -7.837 5.541) 9.627 13.989 ( -3.139 0.975 4.066) 5.228 14.123 ( -6.220 -6.328 2.104) 9.119 14.276 ( -5.223 0.046 4.332) 6.786 14.608 ( -2.335 7.416 -5.920) 9.772 14.832 ( -4.755 2.982 4.383) 7.121 14.965 ( 9.756 -0.527 5.966) 11.448 15.059 ( 7.452 0.040 -2.585) 7.887 15.149 ( 4.832 1.142 -15.988) 16.741 15.488 ( -2.033 -4.248 -4.098) 6.243 15.630 ( 5.406 -3.105 -13.839) 15.178 15.935 ( 0.051 -8.642 -11.034) 14.016 16.342 ( 5.137 5.047 7.664) 10.517 16.407 ( 8.482 4.284 8.399) 12.682 16.665 ( -0.649 2.801 13.194) 13.503 16.842 ( -0.671 -8.869 11.934) 14.884 16.935 ( -4.611 1.237 9.533) 10.662 17.010 ( -3.395 -8.454 9.767) 13.356 17.244 ( -1.723 -8.540 1.416) 8.827 17.305 ( -1.390 -8.656 -3.781) 9.548 17.358 ( 2.900 -8.050 5.218) 10.022 17.438 ( -1.145 4.968 11.124) 12.236 17.478 ( -1.966 5.184 12.224) 13.422 17.618 ( -4.413 -10.246 15.105) 18.778 17.713 ( 1.461 2.241 -9.610) 9.975 17.778 ( -0.055 0.427 -3.316) 3.344 17.911 ( -0.064 5.718 2.994) 6.455 17.950 ( 2.190 -2.383 -6.072) 6.881 17.988 ( -1.449 3.205 3.128) 4.707 18.113 ( -1.137 -4.916 -12.205) 13.207 18.336 ( 0.305 3.269 -17.880) 18.179 18.494 ( -3.012 -1.309 -17.961) 18.259 18.972 ( 1.262 -1.736 17.978) 18.105 19.040 ( -0.494 -3.300 19.997) 20.274 19.583 ( 1.076 11.085 18.782) 21.835 19.677 ( -1.507 6.144 10.111) 11.927 19.744 ( 2.360 -2.206 0.237) 3.239 19.841 ( -0.495 -11.081 -11.439) 15.934 20.236 ( -0.287 -3.552 -5.849) 6.849 20.300 ( -1.951 -6.075 -8.455) 10.592 20.400 ( 2.483 -2.584 2.522) 4.382 20.464 ( -0.100 -2.591 1.462) 2.976 20.612 ( -0.869 -6.191 -2.302) 6.662 20.690 ( -2.398 -7.329 -6.841) 10.308 20.956 ( -0.023 -3.867 -0.307) 3.879 20.965 ( -0.568 -0.781 -2.256) 2.454 20.998 ( 1.110 -3.248 -2.734) 4.388 21.012 ( 1.390 -1.189 -3.458) 3.912 21.110 ( 0.989 -0.079 -0.301) 1.037 21.197 ( -0.183 1.528 -1.267) 1.994 21.271 ( 0.554 6.838 -4.810) 8.379 21.298 ( -0.387 7.771 -10.655) 13.193 21.381 ( 2.980 3.629 1.886) 5.061 21.420 ( 1.543 4.630 -2.071) 5.302 21.567 ( -1.595 2.904 4.205) 5.353 21.594 ( -2.650 -0.355 2.149) 3.430 21.683 ( -0.317 -0.107 10.654) 10.660 21.751 ( -1.249 0.565 9.115) 9.217 21.871 ( 2.883 0.183 -0.795) 2.997 22.033 ( -0.473 -2.893 5.068) 5.854 22.048 ( -0.312 -2.034 1.346) 2.459 22.134 ( -1.031 -5.608 6.597) 8.720 22.424 ( 0.391 -0.749 0.695) 1.094 22.454 ( -0.738 0.612 3.455) 3.585 22.494 ( 1.032 1.999 0.085) 2.251 22.514 ( -0.338 0.288 -4.255) 4.279 22.545 ( 0.787 -2.030 -6.304) 6.670 22.575 ( -0.606 -4.429 -9.111) 10.148 22.707 ( 0.907 -0.643 -3.873) 4.029 22.774 ( 0.512 4.472 -9.606) 10.609 22.794 ( -0.770 3.181 -8.450) 9.061 22.809 ( -0.470 2.913 -8.489) 8.987 23.483 ( 2.668 2.483 1.716) 4.029 23.535 ( 3.508 2.044 -0.929) 4.165 23.711 ( -2.792 -0.482 4.020) 4.918 23.731 ( -0.431 -1.820 4.613) 4.978 23.878 ( -1.798 4.562 2.289) 5.411 23.969 ( -3.299 1.315 2.350) 4.259 24.098 ( 1.860 -0.021 -1.608) 2.459 24.173 ( -0.281 -1.814 -2.122) 2.806 24.697 ( 1.468 2.348 20.081) 20.271 24.802 ( -1.295 -0.817 18.961) 19.022 25.032 ( 0.673 -5.248 3.073) 6.119 25.103 ( -1.163 -5.210 1.818) 5.639 25.255 ( 0.409 -1.595 -1.734) 2.391 25.291 ( -0.696 -0.784 -1.711) 2.007 25.336 ( 0.931 1.890 -3.969) 4.493 25.396 ( -0.715 2.262 -6.004) 6.456 25.535 ( 0.464 -0.788 5.458) 5.534 25.553 ( -0.379 -1.933 2.551) 3.223 25.610 ( -0.606 -0.986 4.207) 4.363 25.666 ( -2.534 -1.916 -2.530) 4.062 25.764 ( 3.616 -0.036 1.728) 4.008 25.881 ( 0.676 -0.043 -1.768) 1.893 25.980 ( 1.971 -0.970 -9.196) 9.454 26.085 ( -0.737 0.987 -10.642) 10.713 26.143 ( -0.764 3.002 -1.469) 3.428 26.198 ( -1.747 0.593 0.143) 1.850 26.233 ( 0.871 0.936 -0.848) 1.534 26.266 ( 0.153 0.420 -1.138) 1.223 26.532 ( -0.148 -0.739 3.198) 3.286 26.541 ( -0.496 -1.316 2.092) 2.521 26.572 ( 0.433 -2.129 2.462) 3.283 26.598 ( -0.239 -2.020 2.027) 2.872 26.733 ( 0.329 3.002 -0.530) 3.066 26.759 ( -0.317 2.740 -0.678) 2.841 26.769 ( 0.441 3.018 -3.095) 4.345 26.784 ( 0.109 2.006 -4.342) 4.785 27.297 ( 0.499 1.174 0.898) 1.560 27.339 ( -0.244 0.677 -1.211) 1.408 27.388 ( -0.445 -0.216 0.022) 0.495 27.394 ( -0.279 -0.345 -0.352) 0.567 28.246 ( -0.198 -0.663 -0.172) 0.713 28.266 ( -0.754 -0.958 -1.032) 1.597 28.368 ( 0.344 -1.862 -0.600) 1.987 28.371 ( 0.351 -2.251 -0.726) 2.391 28.859 ( 0.506 -0.327 2.234) 2.314 28.918 ( -0.551 -0.486 0.854) 1.126 28.937 ( 0.199 -0.739 1.855) 2.007 28.989 ( -0.497 -0.020 0.525) 0.723 29.169 ( 0.573 1.269 -0.468) 1.469 29.200 ( 0.410 -0.291 -1.576) 1.654 29.204 ( -0.305 -0.124 -0.301) 0.446 29.247 ( -0.546 0.339 -1.553) 1.681 29.779 ( 0.776 -1.510 3.298) 3.709 29.848 ( -1.038 -2.202 2.653) 3.601 29.913 ( 0.823 -2.551 -2.429) 3.617 29.963 ( -0.507 -3.373 -2.193) 4.055 ======================= Grid point 97 (36/60) ======================= q-point: ( 0.40 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.556 ( 8.867 19.963 18.389) 28.553 3.667 ( -3.688 11.650 10.105) 15.856 3.902 ( 6.587 3.095 1.007) 7.347 3.957 ( -1.573 4.678 -4.005) 6.356 4.280 ( 37.353 19.251 39.760) 57.851 4.852 ( 21.105 24.136 30.192) 44.040 5.030 ( -39.354 13.648 33.400) 53.391 5.339 ( -30.475 27.646 29.986) 50.914 6.074 ( 17.442 3.825 -31.348) 36.077 6.310 ( 12.433 15.807 11.078) 22.960 6.507 ( 18.568 22.990 -28.368) 40.964 6.633 ( -3.478 10.169 2.680) 11.077 6.906 ( -3.573 19.756 -10.414) 22.617 7.194 ( -11.624 15.934 1.395) 19.772 7.292 ( 5.328 2.082 -10.366) 11.840 7.536 ( -16.686 1.455 -16.979) 23.850 7.669 ( -0.977 3.870 25.715) 26.023 7.797 ( -9.843 1.751 19.501) 21.914 8.756 ( 8.220 -9.615 11.242) 16.924 8.950 ( -7.803 -6.773 15.857) 18.926 9.118 ( 14.336 1.004 11.166) 18.199 9.181 ( 8.804 0.879 7.916) 11.872 9.234 ( 0.615 -1.463 1.124) 1.944 9.288 ( 1.536 1.994 1.924) 3.168 9.510 ( -1.039 14.089 0.519) 14.137 9.520 ( -6.053 10.477 1.575) 12.202 9.601 ( 3.347 2.010 -5.848) 7.032 9.666 ( 13.055 2.102 2.658) 13.488 9.763 ( -8.805 1.742 4.116) 9.874 9.872 ( 6.828 -1.165 3.184) 7.624 10.015 ( 2.106 10.901 -3.387) 11.608 10.129 ( -5.171 2.432 -0.204) 5.717 10.426 ( 3.945 3.864 -1.361) 5.687 10.536 ( 1.334 4.780 4.523) 6.714 10.609 ( -5.283 8.818 9.733) 14.156 10.703 ( -15.629 -0.843 -2.858) 15.911 10.828 ( -3.666 8.813 -8.155) 12.554 10.889 ( -10.626 -8.123 -3.140) 13.739 11.216 ( 1.417 8.678 2.361) 9.105 11.339 ( -7.104 4.982 -9.345) 12.753 11.653 ( 7.323 6.391 -13.650) 16.757 11.795 ( -3.848 4.724 -6.579) 8.967 11.936 ( -1.044 1.764 -20.084) 20.188 12.047 ( -10.714 -0.851 -35.471) 37.063 12.210 ( 0.314 2.979 -29.148) 29.302 12.264 ( -4.962 1.794 -32.999) 33.418 12.631 ( 7.552 -4.737 -7.637) 11.738 12.686 ( 1.724 -6.217 -11.304) 13.015 13.235 ( 20.721 -7.695 8.945) 23.845 13.435 ( 3.597 -16.371 3.751) 17.176 13.627 ( -7.699 -7.864 10.147) 14.970 13.715 ( -8.548 -7.319 4.797) 12.233 13.915 ( 3.155 5.907 2.187) 7.045 13.960 ( 4.461 -2.643 -7.153) 8.834 14.044 ( -1.185 -3.294 6.200) 7.120 14.140 ( -7.723 -2.218 2.426) 8.394 14.639 ( 4.424 8.525 -0.836) 9.641 14.735 ( -5.609 6.297 1.508) 8.566 15.100 ( 5.188 0.208 6.806) 8.561 15.147 ( 0.367 1.420 5.257) 5.458 15.284 ( 9.419 -1.335 -17.662) 20.061 15.425 ( -5.487 -2.948 -8.584) 10.606 15.765 ( 8.702 -6.245 -12.693) 16.609 15.899 ( -4.820 -8.660 -12.001) 15.564 16.467 ( 7.673 3.490 8.650) 12.078 16.560 ( 2.758 2.673 9.646) 10.382 16.647 ( 2.960 2.512 9.382) 10.153 16.800 ( -8.221 -0.092 9.667) 12.691 16.861 ( 1.558 -9.058 10.582) 14.016 16.929 ( -4.848 -9.343 9.204) 13.982 17.236 ( 0.920 -7.297 1.611) 7.529 17.269 ( -2.240 -7.297 -0.085) 7.634 17.400 ( 1.119 -0.781 9.420) 9.518 17.417 ( -1.130 3.734 8.255) 9.131 17.464 ( 1.768 -1.993 13.114) 13.382 17.530 ( -4.699 -8.227 13.567) 16.548 17.744 ( 1.673 1.772 -7.206) 7.607 17.769 ( -0.998 1.043 -4.824) 5.035 17.922 ( 1.316 5.114 2.692) 5.927 17.954 ( -1.970 4.116 2.700) 5.303 18.004 ( 3.483 -1.871 -7.463) 8.446 18.070 ( -3.397 -2.809 -10.039) 10.964 18.362 ( 2.651 0.999 -18.404) 18.621 18.426 ( -4.035 -0.673 -18.383) 18.833 19.000 ( 1.593 -2.071 18.484) 18.668 19.025 ( -1.131 -2.671 19.273) 19.490 19.611 ( 1.886 9.880 16.530) 19.350 19.647 ( -1.889 8.816 14.189) 16.811 19.788 ( 2.330 -5.794 -4.979) 7.987 19.824 ( -1.496 -8.609 -8.676) 12.314 20.238 ( 0.716 -5.392 -6.486) 8.464 20.263 ( -1.919 -6.138 -7.461) 9.850 20.441 ( 1.874 -1.083 1.506) 2.637 20.462 ( -0.400 -1.499 1.350) 2.057 20.606 ( 0.606 -6.850 -3.640) 7.780 20.639 ( -2.763 -7.285 -5.689) 9.647 20.954 ( 0.039 -4.390 -1.781) 4.738 20.958 ( -0.332 -3.572 -0.985) 3.720 21.023 ( 1.169 -1.527 -2.635) 3.262 21.030 ( 0.421 -1.116 -3.470) 3.669 21.138 ( 2.004 1.340 -1.650) 2.921 21.177 ( -1.980 1.772 -2.731) 3.810 21.287 ( 0.955 6.487 -6.124) 8.972 21.296 ( -0.046 6.444 -7.851) 10.157 21.439 ( 2.942 2.940 0.978) 4.272 21.453 ( 1.621 3.651 -0.084) 3.996 21.530 ( -1.998 3.556 2.391) 4.728 21.539 ( -2.781 0.674 2.744) 3.964 21.687 ( 1.040 0.130 10.566) 10.618 21.718 ( -2.071 0.426 10.051) 10.271 21.931 ( 3.540 -0.098 -1.487) 3.841 21.994 ( -3.146 -0.764 -1.962) 3.785 22.071 ( 2.059 -4.378 9.200) 10.394 22.108 ( -1.821 -5.326 7.997) 9.779 22.431 ( 0.418 -0.580 2.597) 2.693 22.441 ( -0.669 -0.607 3.506) 3.621 22.509 ( 0.676 2.287 -5.013) 5.552 22.515 ( 0.090 2.618 -1.264) 2.908 22.555 ( 0.378 -3.202 -6.654) 7.394 22.563 ( -0.595 -4.466 -8.474) 9.597 22.733 ( 1.817 -0.128 -4.653) 4.997 22.767 ( -1.692 0.556 -5.279) 5.571 22.789 ( 0.595 4.974 -10.655) 11.774 22.800 ( -0.575 5.183 -10.739) 11.938 23.552 ( 4.626 1.737 2.623) 5.594 23.615 ( 4.892 0.990 -0.823) 5.058 23.640 ( -4.590 0.560 3.304) 5.683 23.699 ( -3.510 -1.049 0.574) 3.708 23.864 ( 0.866 3.879 4.143) 5.741 23.906 ( -3.264 2.249 3.305) 5.161 24.132 ( 1.786 -0.685 -0.912) 2.119 24.160 ( -1.150 -1.291 -1.254) 2.135 24.732 ( 2.165 1.484 19.761) 19.935 24.771 ( -2.056 0.295 19.347) 19.458 25.050 ( 1.270 -5.119 2.931) 6.034 25.077 ( -1.581 -5.084 2.480) 5.873 25.264 ( 0.643 -1.725 -2.022) 2.734 25.277 ( -0.755 -1.339 -2.099) 2.601 25.356 ( 1.227 2.049 -4.465) 5.064 25.378 ( -1.162 2.211 -5.208) 5.776 25.546 ( 0.556 -1.398 4.188) 4.450 25.550 ( -0.001 -1.612 3.083) 3.479 25.603 ( 0.104 -0.447 2.985) 3.020 25.622 ( -1.953 -1.272 -0.725) 2.440 25.831 ( 3.419 -0.734 1.048) 3.650 25.877 ( -1.385 -1.359 -0.983) 2.175 26.024 ( 2.540 -0.385 -9.499) 9.841 26.063 ( -1.650 0.529 -10.468) 10.611 26.138 ( 0.489 2.700 -1.299) 3.036 26.162 ( -1.913 1.633 -0.648) 2.597 26.250 ( 0.880 0.817 -1.085) 1.618 26.263 ( -0.471 0.527 -1.265) 1.449 26.530 ( -0.031 -0.916 3.032) 3.167 26.533 ( -0.317 -1.047 2.650) 2.867 26.582 ( 0.590 -2.063 2.486) 3.284 26.592 ( -0.486 -2.010 2.330) 3.115 26.741 ( 0.543 2.900 -0.661) 3.023 26.751 ( -0.525 2.792 -0.714) 2.929 26.778 ( 0.473 2.667 -3.391) 4.340 26.784 ( -0.156 2.276 -3.865) 4.487 27.310 ( 0.961 0.932 0.393) 1.395 27.329 ( -0.901 0.672 -0.476) 1.221 27.384 ( 0.041 0.003 -0.105) 0.112 27.388 ( -0.361 -0.119 -0.300) 0.484 28.245 ( 0.132 -0.764 -0.495) 0.920 28.252 ( -0.667 -0.877 -0.812) 1.369 28.374 ( 0.267 -1.952 -0.585) 2.055 28.375 ( 0.109 -2.080 -0.648) 2.182 28.874 ( 1.104 -0.390 2.171) 2.466 28.897 ( -1.378 -0.483 1.977) 2.458 28.952 ( 1.178 -0.476 0.644) 1.424 28.974 ( -1.096 -0.295 0.488) 1.236 29.182 ( 0.754 0.603 -0.552) 1.112 29.194 ( -0.612 0.195 -0.687) 0.940 29.213 ( 0.960 0.192 -1.128) 1.494 29.232 ( -1.017 0.397 -1.381) 1.761 29.799 ( 1.312 -1.747 3.089) 3.783 29.825 ( -1.423 -2.013 2.801) 3.732 29.931 ( 1.057 -2.781 -2.298) 3.759 29.949 ( -0.910 -3.094 -2.250) 3.933 ======================= Grid point 100 (37/60) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.774 ( 0.000 19.030 22.731) 29.645 3.843 ( 0.000 12.190 5.982) 13.578 3.947 ( 0.000 16.221 6.029) 17.305 4.071 ( 0.000 4.307 -2.547) 5.004 4.345 ( 0.000 32.213 24.437) 40.434 5.023 ( 0.000 28.955 37.227) 47.161 5.956 ( 0.000 17.297 -23.829) 29.444 6.349 ( 0.000 6.073 -14.787) 15.986 6.351 ( 0.000 46.373 29.656) 55.045 6.635 ( 0.000 45.592 30.582) 54.899 6.808 ( 0.000 13.806 -12.397) 18.555 7.117 ( 0.000 16.086 16.129) 22.779 7.206 ( 0.000 22.187 -13.545) 25.995 7.378 ( 0.000 24.395 9.827) 26.300 7.645 ( 0.000 -1.266 -0.529) 1.372 7.832 ( 0.000 -2.260 -6.860) 7.222 8.054 ( 0.000 -4.011 2.165) 4.558 8.230 ( 0.000 6.999 12.350) 14.195 8.422 ( 0.000 21.729 -21.990) 30.915 8.581 ( 0.000 -2.354 16.750) 16.915 8.723 ( 0.000 -1.506 2.387) 2.822 9.071 ( 0.000 -12.551 4.864) 13.461 9.084 ( 0.000 1.260 4.315) 4.495 9.301 ( 0.000 -0.662 -9.446) 9.469 9.374 ( 0.000 5.341 -5.019) 7.329 9.416 ( 0.000 6.351 -13.632) 15.039 9.590 ( 0.000 -3.891 9.803) 10.547 9.716 ( 0.000 3.439 -3.430) 4.857 9.741 ( 0.000 -5.040 -12.820) 13.775 10.130 ( 0.000 2.870 -18.055) 18.282 10.468 ( 0.000 20.009 3.442) 20.303 10.513 ( 0.000 -5.042 4.591) 6.819 10.673 ( 0.000 26.854 -0.481) 26.859 10.684 ( 0.000 2.807 -1.450) 3.160 10.853 ( 0.000 -5.327 -9.246) 10.671 10.929 ( 0.000 2.434 2.532) 3.512 11.190 ( 0.000 -3.516 5.253) 6.321 11.257 ( 0.000 6.413 -5.567) 8.492 11.390 ( 0.000 -0.953 -8.284) 8.338 11.456 ( 0.000 -1.908 0.874) 2.098 11.577 ( 0.000 19.827 17.094) 26.178 11.648 ( 0.000 5.319 -3.015) 6.114 11.897 ( 0.000 -6.056 -5.245) 8.011 12.086 ( 0.000 14.882 -6.873) 16.393 12.283 ( 0.000 8.521 -7.248) 11.187 12.379 ( 0.000 -0.463 -5.849) 5.867 12.505 ( 0.000 -0.927 -4.321) 4.419 12.685 ( 0.000 -10.430 8.772) 13.629 12.806 ( 0.000 -9.411 -13.134) 16.158 13.198 ( 0.000 -14.713 -8.316) 16.900 13.478 ( 0.000 0.319 2.437) 2.458 13.654 ( 0.000 -12.044 10.455) 15.949 13.704 ( 0.000 1.603 -10.531) 10.652 13.957 ( 0.000 -14.484 2.777) 14.748 14.025 ( 0.000 -0.925 7.172) 7.231 14.372 ( 0.000 -0.164 9.090) 9.092 14.758 ( 0.000 -5.301 -0.342) 5.312 14.814 ( 0.000 5.218 -10.393) 11.629 14.910 ( 0.000 1.220 9.088) 9.170 14.974 ( 0.000 1.988 -3.243) 3.804 15.165 ( 0.000 2.620 -13.353) 13.608 15.402 ( 0.000 -4.308 -2.508) 4.985 15.553 ( 0.000 -0.229 -16.073) 16.075 15.812 ( 0.000 -2.088 -14.623) 14.772 16.419 ( 0.000 5.589 8.889) 10.500 16.443 ( 0.000 4.665 8.790) 9.951 16.599 ( 0.000 -3.903 7.755) 8.682 16.811 ( 0.000 0.167 4.739) 4.742 16.887 ( 0.000 -5.328 11.951) 13.085 16.993 ( 0.000 -2.590 2.610) 3.677 17.069 ( 0.000 -9.124 -3.753) 9.865 17.096 ( 0.000 -10.808 -7.662) 13.248 17.136 ( 0.000 -6.252 9.704) 11.544 17.336 ( 0.000 -14.096 15.845) 21.208 17.538 ( 0.000 1.207 9.573) 9.649 17.666 ( 0.000 6.865 9.839) 11.998 17.721 ( 0.000 -2.926 -5.400) 6.142 17.742 ( 0.000 -6.239 1.662) 6.456 17.823 ( 0.000 -3.265 -6.983) 7.709 17.980 ( 0.000 -7.799 -9.877) 12.585 18.045 ( 0.000 6.808 2.006) 7.098 18.099 ( 0.000 5.993 2.550) 6.513 18.394 ( 0.000 1.237 -17.282) 17.326 18.487 ( 0.000 -2.306 -20.222) 20.353 18.943 ( 0.000 0.320 4.459) 4.471 18.987 ( 0.000 -1.528 7.299) 7.457 19.491 ( 0.000 -13.522 -16.741) 21.520 19.576 ( 0.000 -12.838 -15.375) 20.030 19.853 ( 0.000 13.996 20.172) 24.552 19.936 ( 0.000 9.749 18.668) 21.060 20.188 ( 0.000 -2.508 2.491) 3.535 20.205 ( 0.000 -5.777 -5.062) 7.681 20.254 ( 0.000 -5.546 4.957) 7.438 20.392 ( 0.000 -4.177 1.069) 4.312 20.465 ( 0.000 -7.500 0.567) 7.522 20.543 ( 0.000 -8.440 -5.161) 9.893 20.847 ( 0.000 -6.425 -0.641) 6.457 20.900 ( 0.000 -4.862 -2.092) 5.293 20.918 ( 0.000 -3.522 1.601) 3.869 20.993 ( 0.000 -1.370 -1.737) 2.212 21.109 ( 0.000 2.506 5.588) 6.124 21.251 ( 0.000 3.975 0.756) 4.046 21.441 ( 0.000 5.578 2.854) 6.266 21.442 ( 0.000 7.242 -1.297) 7.357 21.476 ( 0.000 6.601 -8.595) 10.838 21.532 ( 0.000 8.426 -6.995) 10.951 21.620 ( 0.000 0.357 2.164) 2.194 21.624 ( 0.000 0.800 6.255) 6.306 21.712 ( 0.000 2.303 6.189) 6.603 21.790 ( 0.000 1.918 5.134) 5.480 21.855 ( 0.000 1.164 0.012) 1.164 21.975 ( 0.000 -1.120 7.470) 7.554 22.003 ( 0.000 -3.420 -2.462) 4.214 22.044 ( 0.000 -3.219 6.618) 7.360 22.392 ( 0.000 -3.166 3.375) 4.627 22.420 ( 0.000 -3.443 -3.465) 4.885 22.436 ( 0.000 -2.652 2.018) 3.333 22.494 ( 0.000 -4.016 -8.878) 9.744 22.514 ( 0.000 -0.810 1.340) 1.566 22.551 ( 0.000 -1.518 1.149) 1.904 22.724 ( 0.000 3.892 -8.144) 9.026 22.847 ( 0.000 2.941 -10.442) 10.848 22.847 ( 0.000 2.935 -7.390) 7.951 22.906 ( 0.000 4.388 -10.712) 11.576 23.531 ( 0.000 3.831 1.850) 4.254 23.556 ( 0.000 2.519 0.355) 2.544 23.707 ( 0.000 -0.523 5.317) 5.343 23.714 ( 0.000 -1.521 4.632) 4.875 23.989 ( 0.000 4.179 2.772) 5.015 24.033 ( 0.000 1.734 2.071) 2.701 24.079 ( 0.000 -0.557 0.394) 0.682 24.148 ( 0.000 0.161 -0.273) 0.317 24.729 ( 0.000 0.812 13.934) 13.958 24.786 ( 0.000 -0.862 9.286) 9.326 24.896 ( 0.000 -6.700 1.370) 6.839 24.997 ( 0.000 -5.910 0.902) 5.979 25.219 ( 0.000 -1.106 1.723) 2.048 25.284 ( 0.000 -0.591 0.733) 0.942 25.357 ( 0.000 0.992 -3.198) 3.348 25.437 ( 0.000 0.629 -6.024) 6.057 25.506 ( 0.000 -1.820 0.125) 1.824 25.525 ( 0.000 -0.854 3.044) 3.162 25.554 ( 0.000 -3.836 4.480) 5.898 25.589 ( 0.000 -6.115 -2.569) 6.633 25.801 ( 0.000 5.389 0.209) 5.393 25.914 ( 0.000 2.520 -1.158) 2.773 25.941 ( 0.000 -0.551 -6.686) 6.709 26.108 ( 0.000 0.475 -9.205) 9.217 26.211 ( 0.000 2.252 -1.171) 2.538 26.221 ( 0.000 0.676 1.972) 2.084 26.250 ( 0.000 1.444 -0.402) 1.499 26.278 ( 0.000 0.839 -0.624) 1.045 26.495 ( 0.000 -2.591 1.895) 3.210 26.517 ( 0.000 -2.411 2.044) 3.161 26.532 ( 0.000 -0.475 1.341) 1.423 26.543 ( 0.000 -3.359 0.583) 3.409 26.806 ( 0.000 4.017 0.000) 4.017 26.834 ( 0.000 4.089 0.216) 4.095 26.835 ( 0.000 2.901 -2.016) 3.533 26.842 ( 0.000 4.113 -1.444) 4.359 27.327 ( 0.000 2.014 0.952) 2.228 27.359 ( 0.000 0.718 -0.537) 0.897 27.382 ( 0.000 -0.530 0.045) 0.532 27.383 ( 0.000 -0.891 0.028) 0.892 28.234 ( 0.000 -0.750 -0.538) 0.923 28.246 ( 0.000 -1.706 -1.015) 1.985 28.301 ( 0.000 -3.601 -0.643) 3.658 28.317 ( 0.000 -2.636 -1.410) 2.989 28.847 ( 0.000 -0.343 1.551) 1.588 28.903 ( 0.000 -1.149 -0.593) 1.293 28.918 ( 0.000 -1.085 2.505) 2.730 28.984 ( 0.000 -1.264 -0.043) 1.264 29.195 ( 0.000 1.145 0.083) 1.148 29.210 ( 0.000 2.883 -0.864) 3.010 29.218 ( 0.000 1.379 -0.433) 1.445 29.263 ( 0.000 0.766 -1.590) 1.765 29.733 ( 0.000 -2.263 2.691) 3.516 29.793 ( 0.000 -3.866 2.091) 4.395 29.835 ( 0.000 -4.191 -2.001) 4.644 29.869 ( 0.000 -5.732 -1.350) 5.889 ======================= Grid point 101 (38/60) ======================= q-point: ( 0.20 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.854 ( 2.313 10.920 6.337) 12.836 3.860 ( 6.274 11.640 10.795) 17.070 3.940 ( -0.189 15.351 6.256) 16.578 4.074 ( 0.010 4.411 -2.616) 5.128 4.426 ( 10.719 33.491 29.015) 45.590 5.137 ( 12.576 31.003 37.188) 50.023 5.897 ( -11.960 18.573 -5.363) 22.733 6.132 ( -8.861 12.747 -8.925) 17.907 6.485 ( -10.715 31.506 6.798) 33.965 6.671 ( 1.375 30.569 17.189) 35.098 6.822 ( 7.565 28.735 12.886) 32.388 6.955 ( -0.415 9.021 0.943) 9.079 7.139 ( -6.646 24.470 -5.682) 25.985 7.390 ( 0.579 13.267 -7.299) 15.153 7.579 ( -6.917 -1.671 2.250) 7.464 7.779 ( -3.305 1.021 -5.504) 6.501 8.043 ( -0.772 18.127 2.684) 18.340 8.189 ( -9.603 24.593 -3.370) 26.616 8.447 ( 5.749 -5.778 5.569) 9.872 8.645 ( 9.143 -9.533 11.314) 17.393 8.871 ( 11.484 0.952 8.051) 14.058 9.078 ( -1.698 -8.491 10.294) 13.452 9.111 ( 0.618 -7.849 3.306) 8.539 9.316 ( -4.708 -7.286 1.259) 8.766 9.416 ( 7.498 9.490 -6.937) 13.943 9.490 ( 8.113 -1.891 -11.164) 13.930 9.554 ( 3.547 0.696 -3.213) 4.836 9.752 ( 4.374 3.898 -5.094) 7.764 9.915 ( 11.773 2.792 -6.879) 13.918 10.153 ( 0.307 8.618 -11.135) 14.084 10.397 ( -11.002 17.966 5.302) 21.723 10.487 ( -1.166 4.528 7.002) 8.420 10.537 ( -5.356 14.669 -8.398) 17.731 10.646 ( -15.061 4.993 -5.414) 16.765 10.806 ( -5.355 8.216 -2.893) 10.224 10.900 ( -3.079 -1.855 -5.200) 6.322 11.072 ( 3.792 10.652 10.821) 15.650 11.165 ( -7.483 16.258 3.834) 18.303 11.369 ( 1.250 3.492 -2.153) 4.289 11.461 ( 0.345 -1.171 -2.463) 2.749 11.560 ( 0.316 -0.213 -10.344) 10.351 11.830 ( 4.904 9.957 -0.680) 11.120 11.986 ( 9.235 -1.544 -14.160) 16.976 12.119 ( 4.710 6.793 -2.609) 8.668 12.283 ( 0.782 0.003 -9.788) 9.819 12.408 ( -0.048 2.067 -10.622) 10.821 12.523 ( -0.045 -1.174 -1.748) 2.107 12.616 ( -7.718 1.422 -1.699) 8.030 12.814 ( 1.975 -10.292 -6.326) 12.241 13.083 ( -5.739 -15.602 -7.411) 18.201 13.534 ( -4.355 -11.271 8.833) 14.967 13.663 ( -1.824 -5.913 1.960) 6.490 13.716 ( 7.918 -4.449 1.798) 9.259 13.890 ( -4.954 -14.810 4.031) 16.128 14.023 ( 0.429 0.200 8.237) 8.250 14.265 ( -8.822 -1.492 5.805) 10.665 14.753 ( 1.024 5.140 -3.272) 6.179 14.883 ( 0.824 -0.236 5.813) 5.876 14.957 ( 6.747 1.954 2.735) 7.538 15.049 ( 8.162 -1.290 -4.388) 9.356 15.191 ( 2.192 1.772 -13.996) 14.277 15.394 ( -0.933 -3.995 -3.956) 5.699 15.583 ( 3.063 -1.047 -16.093) 16.416 15.799 ( -1.560 -2.789 -14.599) 14.944 16.421 ( 1.855 1.630 8.703) 9.046 16.516 ( 5.720 5.216 7.266) 10.617 16.613 ( 1.755 -4.405 8.846) 10.037 16.765 ( -4.644 -2.026 3.685) 6.265 16.839 ( -4.639 -6.711 8.926) 12.093 16.948 ( -6.161 -1.215 5.365) 8.259 17.060 ( 0.606 -7.371 -4.841) 8.840 17.104 ( 0.917 -9.724 -3.505) 10.377 17.159 ( 1.907 -8.157 9.801) 12.893 17.315 ( -2.149 -12.288 14.157) 18.869 17.544 ( 0.762 3.002 9.631) 10.117 17.646 ( -2.016 6.954 9.673) 12.083 17.729 ( 0.802 -2.851 -3.653) 4.703 17.748 ( 0.428 -5.276 1.358) 5.465 17.853 ( 2.946 -4.241 -8.120) 9.622 17.975 ( -0.538 -6.842 -9.013) 11.329 18.049 ( 0.378 6.370 1.192) 6.492 18.089 ( -0.991 6.142 2.115) 6.571 18.388 ( -0.433 1.332 -17.273) 17.330 18.465 ( -2.272 -1.762 -19.696) 19.905 18.952 ( 0.878 0.081 4.637) 4.720 18.987 ( -0.051 -1.420 6.933) 7.077 19.502 ( 1.183 -13.387 -16.550) 21.319 19.571 ( -0.517 -12.920 -15.603) 20.265 19.860 ( 0.792 12.883 18.824) 22.824 19.931 ( -0.591 10.039 17.803) 20.447 20.152 ( -2.357 -4.775 0.992) 5.417 20.194 ( -0.757 -3.305 -1.674) 3.781 20.316 ( 4.309 -5.031 3.246) 7.377 20.381 ( -0.428 -5.128 1.566) 5.379 20.461 ( -0.550 -6.634 1.354) 6.793 20.520 ( -2.377 -8.285 -4.600) 9.770 20.844 ( -0.173 -6.202 -0.357) 6.215 20.894 ( -1.038 -4.331 -0.389) 4.471 20.928 ( 1.539 -3.820 0.716) 4.180 20.994 ( -0.016 -2.156 -1.492) 2.622 21.126 ( 1.850 2.485 4.166) 5.191 21.242 ( -0.929 3.456 0.661) 3.640 21.408 ( -1.205 5.081 -1.372) 5.399 21.474 ( 3.142 7.135 -1.373) 7.916 21.506 ( -2.074 6.642 -6.179) 9.306 21.530 ( 2.688 8.293 -6.693) 10.990 21.584 ( -2.349 -0.052 4.436) 5.020 21.626 ( -0.897 0.601 4.309) 4.442 21.715 ( 0.422 3.752 5.162) 6.396 21.780 ( -1.030 2.042 5.916) 6.343 21.880 ( 2.334 0.667 -0.167) 2.434 21.962 ( -0.855 -2.631 6.788) 7.330 22.009 ( 0.226 -1.831 -0.294) 1.868 22.035 ( -0.982 -3.154 6.671) 7.444 22.392 ( 0.062 -3.392 4.027) 5.266 22.420 ( -0.433 -2.849 6.096) 6.743 22.436 ( 0.504 -2.774 -8.352) 8.815 22.489 ( -0.617 -3.849 -9.253) 10.041 22.527 ( 1.186 -0.955 1.453) 2.105 22.556 ( 0.369 -1.425 0.958) 1.756 22.736 ( 1.260 3.877 -7.880) 8.872 22.834 ( -1.270 3.191 -7.303) 8.071 22.856 ( 0.926 2.987 -10.529) 10.984 22.904 ( -0.242 4.142 -10.642) 11.423 23.546 ( 1.758 3.236 2.392) 4.391 23.581 ( 2.449 2.056 0.183) 3.203 23.696 ( -1.680 -0.773 4.472) 4.839 23.705 ( -0.637 -0.923 4.300) 4.444 23.972 ( -1.414 4.415 2.651) 5.341 24.010 ( -2.085 2.600 1.904) 3.838 24.093 ( 1.301 -0.605 1.243) 1.898 24.149 ( -0.040 -0.005 0.272) 0.275 24.737 ( 0.807 0.645 13.581) 13.620 24.782 ( -0.403 -0.698 9.862) 9.895 24.904 ( 0.868 -6.602 1.407) 6.806 24.985 ( -1.233 -5.995 1.079) 6.215 25.222 ( 0.353 -1.039 1.398) 1.777 25.275 ( -0.881 -0.494 0.556) 1.153 25.366 ( 0.965 0.968 -3.272) 3.546 25.431 ( -0.701 0.710 -5.593) 5.681 25.506 ( -0.003 -1.857 0.013) 1.857 25.523 ( -0.166 -1.145 2.712) 2.948 25.555 ( 0.091 -3.751 4.180) 5.617 25.579 ( -0.927 -5.203 -1.862) 5.603 25.818 ( 1.675 4.353 -0.034) 4.664 25.903 ( -0.867 1.913 -2.067) 2.947 25.966 ( 2.250 -0.310 -6.089) 6.499 26.097 ( -1.266 0.104 -8.518) 8.612 26.200 ( -0.724 2.342 -0.893) 2.609 26.218 ( -0.563 1.288 0.609) 1.532 26.258 ( 0.757 1.365 -0.303) 1.590 26.278 ( 0.005 0.708 -0.392) 0.809 26.496 ( 0.126 -2.282 1.932) 2.993 26.520 ( 0.153 -2.360 1.978) 3.083 26.527 ( -0.351 -0.957 1.314) 1.663 26.543 ( -0.068 -3.017 1.005) 3.180 26.808 ( 0.305 4.032 -0.029) 4.043 26.831 ( -0.273 3.957 -0.256) 3.974 26.838 ( 0.258 3.084 -1.545) 3.459 26.843 ( 0.099 3.942 -1.505) 4.220 27.329 ( 0.174 1.793 0.825) 1.981 27.355 ( -0.436 0.616 -0.396) 0.852 27.382 ( 0.038 -0.453 0.044) 0.457 27.383 ( -0.010 -0.545 0.043) 0.547 28.230 ( -0.344 -0.853 -0.640) 1.120 28.239 ( -0.606 -1.562 -1.006) 1.955 28.308 ( 0.564 -3.476 -0.687) 3.588 28.319 ( 0.210 -2.760 -1.271) 3.046 28.851 ( 0.449 -0.366 1.619) 1.720 28.903 ( -0.486 -0.891 0.859) 1.329 28.916 ( 0.363 -1.289 0.935) 1.633 28.976 ( -0.801 -1.360 -0.127) 1.584 29.197 ( 0.198 1.528 0.029) 1.541 29.215 ( 0.007 1.642 -0.236) 1.659 29.220 ( 0.531 2.184 -0.985) 2.454 29.260 ( -0.367 0.898 -1.526) 1.809 29.737 ( 0.498 -2.420 2.624) 3.604 29.785 ( -0.812 -3.724 1.999) 4.304 29.841 ( 0.582 -4.312 -1.774) 4.699 29.868 ( -0.179 -5.557 -1.404) 5.734 ======================= Grid point 102 (39/60) ======================= q-point: ( 0.40 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.879 ( 1.324 9.878 3.183) 10.462 3.901 ( -1.042 10.123 2.483) 10.475 4.008 ( 4.748 6.742 2.076) 8.504 4.062 ( -1.538 4.724 -1.860) 5.305 4.796 ( 29.654 29.992 30.865) 52.264 5.406 ( -26.955 23.524 23.623) 42.872 5.488 ( 16.099 32.046 33.579) 49.129 5.963 ( -26.204 26.153 19.336) 41.767 6.237 ( 8.000 12.946 -16.883) 22.730 6.507 ( -17.186 4.423 -11.940) 21.389 7.013 ( 8.373 14.019 -9.589) 18.937 7.059 ( 1.619 25.356 -15.571) 29.800 7.199 ( 9.079 8.824 4.559) 13.456 7.293 ( -5.877 -4.632 -9.568) 12.147 7.673 ( 11.293 26.287 -2.742) 28.741 7.773 ( 8.335 23.341 16.655) 29.861 7.875 ( -11.279 23.665 -12.508) 29.046 8.059 ( -10.373 25.413 27.956) 39.179 8.569 ( 9.518 -6.563 12.780) 17.233 8.831 ( -13.991 -5.501 21.866) 26.536 8.872 ( 10.650 -14.580 11.562) 21.440 9.082 ( -2.653 -12.436 2.682) 12.996 9.100 ( 0.361 -10.949 11.809) 16.108 9.165 ( -6.126 -8.176 2.067) 10.424 9.568 ( 11.472 -1.862 -7.218) 13.682 9.690 ( 8.007 -3.208 -4.335) 9.653 9.746 ( 11.986 6.044 -7.276) 15.269 9.818 ( 0.068 13.775 -7.061) 15.479 10.008 ( -0.453 13.224 1.529) 13.320 10.077 ( -6.518 15.297 4.263) 17.165 10.196 ( -6.005 10.671 2.381) 12.474 10.261 ( -14.283 2.789 -7.833) 16.527 10.546 ( 2.971 4.116 -14.392) 15.261 10.638 ( 7.460 9.375 -14.850) 19.080 10.736 ( -7.277 8.178 -5.948) 12.458 10.785 ( -0.606 14.578 -2.085) 14.739 11.007 ( 0.413 14.576 13.754) 20.045 11.173 ( -10.074 19.791 -4.321) 22.624 11.420 ( 5.543 12.925 5.870) 15.239 11.468 ( 1.903 8.751 1.329) 9.054 11.721 ( 16.127 -0.797 -17.543) 23.842 11.905 ( 8.950 7.620 -10.789) 15.955 12.034 ( -13.996 6.389 -13.788) 20.660 12.103 ( -3.046 5.250 -9.428) 11.213 12.258 ( -0.420 1.104 -14.276) 14.325 12.355 ( -11.829 9.113 -18.080) 23.449 12.483 ( 4.860 -10.114 -5.138) 12.341 12.542 ( -1.337 -4.799 -7.472) 8.981 12.954 ( 11.810 -18.684 0.145) 22.105 13.046 ( 0.659 -19.167 -1.076) 19.208 13.391 ( -6.871 -14.529 10.738) 19.329 13.476 ( -14.343 -16.242 8.137) 23.146 13.895 ( 8.305 -4.688 6.517) 11.551 13.925 ( 5.824 -6.533 10.021) 13.305 14.023 ( -0.416 1.097 2.580) 2.834 14.110 ( -8.100 -1.630 3.832) 9.108 14.796 ( 3.313 6.379 1.283) 7.302 14.855 ( -2.811 4.983 5.002) 7.600 15.091 ( 6.499 -1.733 3.902) 7.776 15.160 ( 0.188 -1.893 4.564) 4.945 15.259 ( 6.643 -1.241 -17.967) 19.196 15.359 ( -3.465 -3.287 -8.880) 10.083 15.657 ( 4.952 -2.699 -15.344) 16.348 15.747 ( -4.263 -3.808 -14.455) 15.544 16.491 ( 5.575 -2.355 7.399) 9.559 16.585 ( -1.332 -1.504 6.222) 6.539 16.678 ( 1.867 -6.290 6.399) 9.166 16.685 ( 2.759 0.451 5.975) 6.597 16.742 ( -5.465 -7.164 4.932) 10.272 16.809 ( -7.766 -1.438 7.927) 11.190 17.086 ( 1.711 -5.299 -3.490) 6.571 17.109 ( -0.585 -6.113 -2.477) 6.621 17.204 ( 3.038 -10.039 11.994) 15.933 17.264 ( -3.284 -10.441 12.842) 16.874 17.567 ( 1.732 5.920 9.659) 11.461 17.604 ( -2.281 7.161 9.640) 12.223 17.744 ( 0.718 -3.329 -1.336) 3.658 17.752 ( -0.069 -4.114 0.351) 4.129 17.912 ( 3.164 -5.369 -9.294) 11.189 17.957 ( -1.634 -6.042 -8.913) 10.891 18.056 ( 0.473 6.574 0.921) 6.655 18.069 ( -1.007 6.601 1.490) 6.841 18.388 ( 0.738 0.953 -17.591) 17.632 18.418 ( -2.418 -0.375 -18.541) 18.701 18.970 ( 0.958 -0.478 5.213) 5.322 18.983 ( -0.445 -1.054 6.087) 6.194 19.529 ( 1.622 -13.164 -16.246) 20.973 19.556 ( -1.211 -13.044 -15.995) 20.675 19.882 ( 1.567 11.061 16.541) 19.960 19.912 ( -1.492 10.393 16.253) 19.350 20.133 ( 0.464 -4.558 0.838) 4.657 20.163 ( -2.306 -3.522 -0.275) 4.218 20.385 ( 2.956 -4.008 2.215) 5.450 20.395 ( 1.580 -4.683 1.905) 5.297 20.445 ( -0.946 -6.710 2.252) 7.141 20.466 ( -3.075 -8.229 -2.475) 9.127 20.848 ( 0.711 -5.451 0.586) 5.529 20.869 ( -1.496 -4.600 0.755) 4.896 20.963 ( 1.850 -3.929 -0.344) 4.356 20.988 ( -0.807 -3.372 -0.950) 3.596 21.170 ( 2.747 2.619 1.970) 4.277 21.216 ( -2.022 2.844 0.826) 3.586 21.412 ( 1.546 4.996 -2.865) 5.963 21.455 ( -2.922 6.158 -5.004) 8.456 21.528 ( 1.593 4.740 -0.239) 5.006 21.544 ( -1.021 -0.569 4.681) 4.825 21.570 ( 1.679 7.118 -7.043) 10.153 21.606 ( -1.346 4.503 -1.157) 4.841 21.729 ( 1.122 4.220 6.366) 7.720 21.755 ( -1.590 2.853 7.434) 8.120 21.925 ( 2.248 -0.881 0.166) 2.421 21.951 ( -0.650 -3.401 4.682) 5.823 22.006 ( -0.267 -0.899 3.143) 3.280 22.014 ( -1.048 -2.571 7.013) 7.543 22.396 ( 0.445 -3.127 5.361) 6.222 22.407 ( -0.714 -2.757 6.841) 7.410 22.453 ( 1.146 -2.971 -10.265) 10.747 22.473 ( -1.022 -3.436 -9.907) 10.536 22.548 ( 0.974 -1.105 1.089) 1.832 22.559 ( -0.146 -1.253 0.784) 1.485 22.767 ( 2.044 3.755 -7.433) 8.575 22.804 ( -1.937 3.497 -7.237) 8.268 22.876 ( 1.162 3.293 -10.570) 11.132 22.895 ( -0.809 3.718 -10.592) 11.255 23.592 ( 3.099 1.887 3.227) 4.856 23.633 ( 2.658 0.585 0.728) 2.817 23.652 ( -2.619 0.465 3.726) 4.578 23.683 ( -1.953 -0.552 2.131) 2.943 23.955 ( -0.135 4.711 2.757) 5.460 23.971 ( -1.814 3.944 2.390) 4.956 24.119 ( 1.424 -0.487 1.711) 2.279 24.141 ( -0.878 -0.266 1.235) 1.539 24.755 ( 1.010 0.242 12.601) 12.643 24.771 ( -0.743 -0.260 11.206) 11.234 24.926 ( 1.506 -6.416 1.461) 6.751 24.956 ( -1.762 -6.199 1.368) 6.588 25.234 ( 0.936 -0.808 0.746) 1.444 25.255 ( -1.265 -0.534 0.412) 1.434 25.389 ( 1.386 0.976 -3.718) 4.086 25.413 ( -1.217 0.893 -4.603) 4.844 25.509 ( 0.380 -2.005 -0.018) 2.040 25.518 ( -0.460 -1.809 1.171) 2.203 25.557 ( 0.171 -3.548 3.146) 4.745 25.564 ( -0.619 -3.899 0.691) 4.008 25.853 ( 1.930 2.740 -0.812) 3.448 25.883 ( -1.382 1.878 -1.758) 2.921 26.014 ( 2.841 -0.589 -6.700) 7.301 26.063 ( -2.374 -0.476 -7.531) 7.910 26.193 ( 0.122 2.498 -0.857) 2.644 26.203 ( -0.832 2.163 -0.476) 2.366 26.271 ( 0.546 1.072 -0.262) 1.231 26.277 ( -0.159 0.774 -0.269) 0.835 26.501 ( 0.487 -1.704 1.871) 2.577 26.512 ( -0.672 -1.333 1.614) 2.198 26.530 ( 0.478 -2.479 1.788) 3.094 26.539 ( -0.368 -2.772 1.504) 3.175 26.816 ( 0.466 4.050 -0.083) 4.078 26.824 ( -0.435 4.044 -0.133) 4.069 26.843 ( 0.194 3.200 -1.650) 3.605 26.844 ( 0.010 3.555 -1.610) 3.902 27.334 ( 0.454 1.268 0.477) 1.429 27.345 ( -0.623 0.755 0.009) 0.979 27.383 ( 0.024 -0.183 0.027) 0.186 27.383 ( 0.004 -0.282 0.036) 0.284 28.225 ( -0.058 -1.033 -0.818) 1.319 28.229 ( -0.451 -1.272 -0.952) 1.651 28.317 ( 0.428 -3.264 -0.812) 3.391 28.322 ( -0.027 -3.015 -1.021) 3.184 28.864 ( 0.962 -0.465 1.767) 2.065 28.885 ( -1.200 -0.642 1.854) 2.300 28.933 ( 1.244 -1.435 -0.261) 1.917 28.957 ( -1.290 -1.468 -0.277) 1.974 29.203 ( 0.423 1.692 -0.011) 1.744 29.210 ( -0.374 1.567 -0.093) 1.613 29.234 ( 0.897 1.826 -1.137) 2.331 29.250 ( -0.723 1.286 -1.346) 1.997 29.750 ( 0.875 -2.834 2.429) 3.834 29.768 ( -1.019 -3.337 2.157) 4.102 29.852 ( 0.630 -4.653 -1.610) 4.964 29.862 ( -0.431 -5.128 -1.510) 5.364 ======================= Grid point 105 (40/60) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.007 ( 0.000 6.074 1.264) 6.204 4.023 ( 0.000 7.981 2.064) 8.244 4.125 ( 0.000 0.765 -0.942) 1.213 4.151 ( 0.000 3.498 -2.947) 4.574 5.183 ( 0.000 43.541 29.004) 52.317 5.630 ( 0.000 26.648 29.199) 39.531 6.281 ( 0.000 12.652 0.146) 12.652 6.450 ( 0.000 3.811 -2.633) 4.631 6.839 ( 0.000 -3.692 2.859) 4.669 7.051 ( 0.000 13.392 10.941) 17.293 7.137 ( 0.000 12.081 -18.585) 22.166 7.590 ( 0.000 -1.689 -2.293) 2.848 7.592 ( 0.000 -13.830 -0.775) 13.852 7.630 ( 0.000 17.455 29.644) 34.401 7.736 ( 0.000 -9.981 5.400) 11.349 7.959 ( 0.000 27.580 -11.616) 29.927 8.076 ( 0.000 48.518 16.590) 51.276 8.512 ( 0.000 -0.336 14.513) 14.517 8.527 ( 0.000 -18.134 10.052) 20.733 8.657 ( 0.000 -3.755 -4.416) 5.797 8.733 ( 0.000 32.269 3.681) 32.479 9.086 ( 0.000 2.200 -3.539) 4.167 9.183 ( 0.000 -6.042 -15.161) 16.321 9.294 ( 0.000 28.498 -9.186) 29.942 9.355 ( 0.000 -8.967 -1.399) 9.076 9.554 ( 0.000 6.798 -0.658) 6.830 9.578 ( 0.000 4.774 0.141) 4.776 9.796 ( 0.000 5.648 -13.397) 14.539 9.797 ( 0.000 6.089 -8.041) 10.086 10.021 ( 0.000 -12.125 -27.245) 29.822 10.272 ( 0.000 -14.759 -8.080) 16.826 10.525 ( 0.000 -2.475 -1.948) 3.149 10.682 ( 0.000 -9.922 -8.216) 12.882 10.684 ( 0.000 -9.752 -6.140) 11.523 11.090 ( 0.000 10.537 0.793) 10.567 11.152 ( 0.000 4.585 2.578) 5.260 11.213 ( 0.000 6.035 2.365) 6.482 11.332 ( 0.000 -3.580 -0.290) 3.591 11.453 ( 0.000 1.069 0.964) 1.439 11.472 ( 0.000 4.707 -4.530) 6.533 11.880 ( 0.000 21.102 -0.124) 21.103 11.907 ( 0.000 11.556 12.091) 16.725 12.071 ( 0.000 25.390 0.393) 25.393 12.275 ( 0.000 -3.217 4.458) 5.498 12.418 ( 0.000 -7.985 -0.020) 7.985 12.494 ( 0.000 -11.723 7.690) 14.020 12.494 ( 0.000 6.783 3.436) 7.604 12.633 ( 0.000 9.982 -5.382) 11.341 12.636 ( 0.000 18.682 5.715) 19.536 12.933 ( 0.000 -5.728 -7.169) 9.176 13.391 ( 0.000 -9.221 4.054) 10.073 13.471 ( 0.000 -3.011 11.191) 11.589 13.558 ( 0.000 -16.622 -0.296) 16.625 13.655 ( 0.000 -8.614 -1.305) 8.712 13.975 ( 0.000 -7.677 15.699) 17.476 14.244 ( 0.000 -13.467 5.231) 14.447 14.627 ( 0.000 -4.540 1.997) 4.959 14.773 ( 0.000 -6.376 4.600) 7.862 14.985 ( 0.000 1.738 -13.365) 13.477 15.101 ( 0.000 10.848 3.428) 11.377 15.141 ( 0.000 -4.627 -8.324) 9.524 15.436 ( 0.000 8.823 -3.577) 9.521 15.525 ( 0.000 -4.316 -9.398) 10.342 15.804 ( 0.000 -1.734 -14.519) 14.622 16.487 ( 0.000 1.369 6.644) 6.783 16.494 ( 0.000 0.600 6.203) 6.232 16.621 ( 0.000 4.492 0.085) 4.493 16.787 ( 0.000 0.439 3.729) 3.755 16.847 ( 0.000 -8.022 -6.062) 10.054 16.894 ( 0.000 6.813 -0.278) 6.819 16.908 ( 0.000 -2.262 -1.374) 2.647 17.007 ( 0.000 -3.589 -0.311) 3.603 17.025 ( 0.000 -7.189 1.882) 7.432 17.128 ( 0.000 -2.603 5.975) 6.517 17.464 ( 0.000 -16.848 -10.388) 19.793 17.553 ( 0.000 -14.938 -1.791) 15.045 17.596 ( 0.000 4.645 9.618) 10.681 17.778 ( 0.000 4.054 7.974) 8.946 17.793 ( 0.000 -2.186 -0.053) 2.187 17.871 ( 0.000 -2.180 -1.637) 2.726 18.184 ( 0.000 6.585 0.229) 6.589 18.221 ( 0.000 5.386 -1.724) 5.655 18.383 ( 0.000 -2.203 -14.048) 14.220 18.417 ( 0.000 -4.558 -16.300) 16.925 18.969 ( 0.000 2.288 -3.274) 3.994 19.006 ( 0.000 3.687 -3.982) 5.427 19.227 ( 0.000 -10.969 -14.256) 17.987 19.322 ( 0.000 -11.418 -15.145) 18.967 20.035 ( 0.000 1.141 11.324) 11.381 20.100 ( 0.000 -4.105 3.491) 5.388 20.104 ( 0.000 6.705 11.337) 13.171 20.148 ( 0.000 -1.312 2.644) 2.951 20.201 ( 0.000 2.490 4.819) 5.424 20.313 ( 0.000 -3.126 -1.413) 3.431 20.340 ( 0.000 -4.691 -0.865) 4.770 20.397 ( 0.000 -5.316 -3.422) 6.322 20.734 ( 0.000 -3.580 1.116) 3.750 20.799 ( 0.000 -4.656 0.278) 4.664 20.866 ( 0.000 -0.928 4.397) 4.494 20.942 ( 0.000 -3.033 1.266) 3.287 21.212 ( 0.000 6.968 11.970) 13.850 21.366 ( 0.000 7.100 3.538) 7.933 21.467 ( 0.000 -2.768 6.378) 6.952 21.557 ( 0.000 5.449 2.121) 5.847 21.592 ( 0.000 -0.315 5.859) 5.868 21.629 ( 0.000 0.431 1.377) 1.443 21.648 ( 0.000 7.653 -1.225) 7.750 21.671 ( 0.000 -1.642 3.703) 4.051 21.747 ( 0.000 -0.350 2.862) 2.883 21.816 ( 0.000 4.333 -7.626) 8.771 21.880 ( 0.000 0.111 0.127) 0.169 21.925 ( 0.000 -3.300 -0.129) 3.302 22.003 ( 0.000 3.130 3.682) 4.833 22.080 ( 0.000 6.708 3.698) 7.660 22.273 ( 0.000 -6.973 -0.827) 7.022 22.353 ( 0.000 -4.952 4.953) 7.004 22.407 ( 0.000 0.116 -4.668) 4.669 22.429 ( 0.000 -2.017 -3.741) 4.250 22.456 ( 0.000 -3.509 1.289) 3.738 22.498 ( 0.000 -3.215 2.382) 4.001 22.814 ( 0.000 4.038 -9.412) 10.242 22.885 ( 0.000 0.716 -10.248) 10.273 22.921 ( 0.000 3.664 -8.502) 9.258 22.972 ( 0.000 1.867 -10.385) 10.552 23.592 ( 0.000 0.976 2.717) 2.887 23.595 ( 0.000 1.840 3.215) 3.704 23.691 ( 0.000 -0.333 4.692) 4.704 23.704 ( 0.000 0.061 4.292) 4.293 24.058 ( 0.000 1.706 2.090) 2.698 24.065 ( 0.000 -0.313 2.037) 2.061 24.077 ( 0.000 3.137 1.889) 3.662 24.161 ( 0.000 0.287 0.587) 0.654 24.711 ( 0.000 -1.259 7.221) 7.330 24.774 ( 0.000 -4.755 1.415) 4.961 24.787 ( 0.000 0.300 2.833) 2.849 24.881 ( 0.000 -5.020 0.297) 5.029 25.226 ( 0.000 1.930 3.724) 4.194 25.286 ( 0.000 1.076 1.648) 1.969 25.357 ( 0.000 -1.550 -1.705) 2.304 25.406 ( 0.000 -3.496 -3.172) 4.721 25.473 ( 0.000 -1.402 -1.532) 2.076 25.474 ( 0.000 -3.150 2.744) 4.178 25.511 ( 0.000 -0.501 0.122) 0.516 25.512 ( 0.000 -1.167 -2.615) 2.864 25.897 ( 0.000 3.222 -0.760) 3.311 25.936 ( 0.000 -0.092 -4.136) 4.137 25.976 ( 0.000 3.788 -3.812) 5.374 26.106 ( 0.000 -0.969 -8.444) 8.500 26.241 ( 0.000 0.843 0.742) 1.123 26.241 ( 0.000 1.061 2.730) 2.929 26.278 ( 0.000 1.235 0.519) 1.339 26.294 ( 0.000 0.663 0.500) 0.830 26.445 ( 0.000 -1.993 1.691) 2.614 26.471 ( 0.000 -2.854 0.995) 3.022 26.485 ( 0.000 -0.972 1.233) 1.570 26.515 ( 0.000 -1.172 0.488) 1.270 26.877 ( 0.000 2.630 0.243) 2.641 26.888 ( 0.000 1.976 -0.523) 2.044 26.919 ( 0.000 3.652 0.592) 3.700 26.922 ( 0.000 3.322 -0.195) 3.328 27.349 ( 0.000 -1.094 0.535) 1.218 27.357 ( 0.000 -0.942 0.269) 0.979 27.370 ( 0.000 1.370 0.811) 1.592 27.389 ( 0.000 0.714 -0.062) 0.717 28.210 ( 0.000 -1.575 -0.961) 1.845 28.218 ( 0.000 -1.113 -1.428) 1.811 28.237 ( 0.000 -1.830 -0.657) 1.944 28.266 ( 0.000 -2.112 -2.022) 2.924 28.844 ( 0.000 0.045 0.808) 0.809 28.875 ( 0.000 -1.373 -0.488) 1.457 28.903 ( 0.000 -0.220 1.922) 1.934 28.946 ( 0.000 -2.052 0.285) 2.072 29.240 ( 0.000 2.636 -0.183) 2.643 29.261 ( 0.000 2.589 -0.397) 2.619 29.270 ( 0.000 2.142 -1.254) 2.482 29.283 ( 0.000 1.342 -1.242) 1.828 29.691 ( 0.000 -1.429 1.694) 2.216 29.712 ( 0.000 -3.601 1.353) 3.846 29.740 ( 0.000 -4.885 -0.486) 4.909 29.755 ( 0.000 -4.608 -0.696) 4.660 ======================= Grid point 106 (41/60) ======================= q-point: ( 0.20 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.013 ( 0.724 6.045 1.151) 6.196 4.038 ( 1.307 6.609 0.726) 6.776 4.120 ( -0.402 1.986 -0.665) 2.133 4.145 ( -0.652 2.591 -2.088) 3.391 5.227 ( 6.269 40.821 27.338) 49.528 5.747 ( 12.070 24.938 26.006) 37.999 6.271 ( -1.190 14.824 0.768) 14.892 6.359 ( -11.743 11.054 3.436) 16.490 6.742 ( -9.832 -3.681 2.415) 10.772 6.876 ( -20.432 -2.372 -0.991) 20.594 7.123 ( 0.631 20.414 -13.601) 24.538 7.240 ( -15.360 -17.632 3.961) 23.717 7.321 ( -13.075 2.753 16.208) 21.005 7.715 ( -7.001 14.386 7.569) 17.700 7.980 ( 10.526 16.582 -13.236) 23.684 8.109 ( 14.361 -2.451 14.829) 20.788 8.183 ( 10.972 41.961 13.722) 45.491 8.385 ( -2.355 -5.298 3.080) 6.565 8.573 ( 3.008 -0.368 12.214) 12.584 8.664 ( -7.235 12.757 -3.680) 15.120 8.856 ( 9.927 -0.676 1.809) 10.113 9.021 ( -14.590 2.726 2.068) 14.986 9.096 ( -6.760 9.604 -9.237) 14.942 9.181 ( 2.237 0.112 -6.604) 6.974 9.333 ( 3.595 3.766 -4.802) 7.083 9.607 ( -1.672 0.881 -3.323) 3.823 9.708 ( 11.083 9.987 -2.259) 15.089 9.884 ( 10.781 -2.394 -9.305) 14.441 9.970 ( 15.011 14.255 -11.379) 23.623 10.114 ( 5.392 -8.288 -22.703) 24.762 10.419 ( 13.101 -7.441 -3.637) 15.500 10.542 ( -1.842 1.980 4.226) 5.017 10.612 ( 1.030 0.875 -15.333) 15.393 10.797 ( 5.722 -8.654 -3.962) 11.106 10.958 ( -13.976 14.509 7.027) 21.336 11.105 ( -3.323 1.579 0.402) 3.701 11.184 ( -3.308 0.704 -2.881) 4.443 11.276 ( 2.193 0.428 -4.709) 5.212 11.551 ( 8.348 6.023 6.158) 11.995 11.589 ( 4.828 5.102 -1.869) 7.269 11.796 ( -1.656 21.624 6.525) 22.647 11.968 ( 4.603 12.339 5.330) 14.207 12.179 ( 8.718 17.979 -5.594) 20.749 12.234 ( -0.444 -3.534 -1.413) 3.831 12.289 ( -6.699 -4.850 1.096) 8.343 12.382 ( -14.113 -5.208 -2.735) 15.290 12.443 ( -1.804 4.161 1.363) 4.736 12.641 ( 1.576 6.994 4.920) 8.696 12.793 ( -3.467 -10.098 -7.288) 12.927 12.884 ( 2.694 11.152 -0.333) 11.478 13.315 ( -9.752 -8.497 6.400) 14.432 13.465 ( -18.886 -8.617 1.544) 20.816 13.534 ( 7.786 -9.972 9.771) 15.986 13.611 ( 7.121 -11.011 6.315) 14.555 13.961 ( -0.821 -8.457 14.665) 16.949 14.170 ( -6.927 -9.218 3.867) 12.162 14.729 ( 8.392 -5.651 -0.175) 10.119 14.811 ( 3.600 -5.085 5.523) 8.326 15.009 ( 2.200 -2.021 -7.007) 7.618 15.086 ( -1.051 4.294 3.556) 5.673 15.188 ( 4.148 1.720 -9.693) 10.683 15.414 ( -2.302 8.122 -4.221) 9.438 15.553 ( 2.987 -3.910 -10.531) 11.624 15.783 ( -2.384 -2.102 -14.449) 14.794 16.427 ( -2.338 0.548 5.475) 5.978 16.544 ( 1.538 -3.924 5.380) 6.834 16.607 ( -1.971 2.565 0.360) 3.254 16.676 ( -7.248 -4.119 -1.437) 8.460 16.794 ( -3.946 3.639 -0.268) 5.375 16.875 ( -6.770 -3.748 2.126) 8.025 16.964 ( 4.317 -1.998 2.215) 5.247 16.990 ( 4.946 0.638 -2.991) 5.815 17.067 ( 0.189 -3.435 -0.573) 3.487 17.145 ( 0.889 -2.454 5.486) 6.075 17.483 ( 1.892 -16.463 -9.391) 19.047 17.554 ( 0.024 -14.628 -2.113) 14.780 17.626 ( 3.025 4.862 9.143) 10.788 17.769 ( -0.888 4.406 7.679) 8.898 17.812 ( 1.774 -2.027 0.219) 2.703 17.876 ( 0.377 -2.086 -1.780) 2.768 18.187 ( 0.319 6.558 -0.015) 6.566 18.216 ( -0.547 5.633 -1.676) 5.903 18.381 ( -0.164 -2.021 -13.994) 14.140 18.408 ( -0.849 -3.870 -15.303) 15.808 18.976 ( 0.622 2.302 -3.428) 4.176 19.004 ( -0.212 3.429 -3.962) 5.244 19.238 ( 1.143 -11.108 -14.376) 18.204 19.315 ( -0.770 -11.477 -15.118) 18.996 20.029 ( -1.710 1.877 6.409) 6.893 20.039 ( -0.712 -1.348 7.911) 8.057 20.135 ( -2.051 4.050 1.853) 4.903 20.154 ( -1.203 0.719 3.697) 3.954 20.224 ( 4.560 -3.097 6.133) 8.246 20.282 ( -0.930 -3.665 2.090) 4.320 20.366 ( 1.056 -3.141 0.588) 3.366 20.384 ( -1.288 -4.165 -1.439) 4.590 20.740 ( 0.820 -2.868 2.271) 3.749 20.815 ( 1.052 -3.542 1.097) 3.854 20.860 ( -0.325 -1.778 4.411) 4.767 20.934 ( -0.944 -3.265 1.513) 3.721 21.222 ( 1.205 6.422 9.947) 11.901 21.345 ( -1.938 6.246 3.854) 7.591 21.472 ( 0.417 -1.708 4.450) 4.785 21.524 ( -1.998 3.354 3.108) 4.990 21.574 ( -2.459 -1.721 5.598) 6.352 21.602 ( -1.936 2.104 2.479) 3.784 21.682 ( 1.194 2.005 1.386) 2.714 21.701 ( 3.495 5.496 -3.004) 7.173 21.750 ( 0.479 -1.959 5.470) 5.830 21.804 ( -0.785 4.412 -6.111) 7.577 21.896 ( 1.310 0.358 0.187) 1.371 21.927 ( -0.023 -2.105 0.592) 2.187 22.014 ( 1.007 3.249 3.018) 4.547 22.067 ( -1.212 6.427 3.153) 7.261 22.279 ( 0.702 -6.662 -0.347) 6.708 22.342 ( -0.972 -5.112 4.218) 6.698 22.413 ( 0.581 0.074 -4.397) 4.436 22.428 ( -0.070 -1.728 -3.929) 4.293 22.470 ( 1.232 -3.506 1.124) 3.882 22.502 ( 0.315 -3.246 1.832) 3.741 22.825 ( 1.158 4.004 -9.063) 9.975 22.895 ( 1.042 0.741 -10.188) 10.268 22.912 ( -0.981 3.725 -8.371) 9.215 22.965 ( -0.707 1.660 -10.216) 10.374 23.597 ( 0.866 1.387 3.486) 3.851 23.610 ( 1.353 0.784 2.584) 3.021 23.682 ( -0.947 -0.188 4.507) 4.609 23.696 ( -0.908 -0.134 3.959) 4.064 24.050 ( -0.401 2.482 2.073) 3.259 24.067 ( -0.609 2.813 1.017) 3.053 24.086 ( 1.345 0.444 3.033) 3.347 24.157 ( -0.497 0.125 0.798) 0.948 24.719 ( 0.871 -1.230 6.999) 7.159 24.774 ( -0.212 -2.187 2.779) 3.542 24.789 ( 0.407 -2.580 2.157) 3.387 24.868 ( -1.332 -5.005 0.607) 5.215 25.231 ( 0.563 2.031 3.357) 3.964 25.282 ( -0.516 1.311 1.747) 2.245 25.366 ( 0.885 -1.621 -1.721) 2.525 25.404 ( -0.226 -3.299 -3.008) 4.470 25.468 ( -0.266 -2.054 0.344) 2.100 25.477 ( 0.157 -2.132 0.188) 2.146 25.504 ( -0.604 -0.972 -1.217) 1.670 25.510 ( -0.291 -1.212 -0.588) 1.378 25.902 ( 0.555 3.024 -1.349) 3.357 25.946 ( 0.629 1.121 -4.041) 4.240 25.973 ( 0.112 2.121 -4.178) 4.687 26.088 ( -1.840 -1.130 -7.658) 7.957 26.237 ( -0.215 1.325 0.748) 1.537 26.246 ( 0.279 1.270 1.867) 2.275 26.282 ( 0.261 0.780 0.949) 1.255 26.293 ( -0.105 0.646 0.503) 0.826 26.451 ( 0.635 -1.817 1.693) 2.563 26.475 ( 0.429 -2.584 0.975) 2.795 26.483 ( -0.216 -1.086 1.272) 1.686 26.511 ( -0.493 -1.214 0.565) 1.427 26.881 ( 0.414 2.702 0.258) 2.746 26.891 ( 0.399 2.059 -0.534) 2.164 26.915 ( -0.414 3.512 0.561) 3.581 26.919 ( -0.282 3.136 -0.253) 3.159 27.351 ( 0.183 -0.629 0.497) 0.822 27.357 ( 0.018 -0.368 0.308) 0.480 27.370 ( 0.024 0.714 0.762) 1.045 27.387 ( -0.267 0.443 0.008) 0.517 28.207 ( -0.179 -1.230 -0.983) 1.585 28.216 ( -0.282 -0.620 -1.443) 1.595 28.242 ( 0.498 -2.420 -0.768) 2.588 28.265 ( -0.134 -2.322 -1.867) 2.983 28.847 ( 0.419 0.054 0.902) 0.996 28.881 ( 0.537 -1.359 -0.419) 1.520 28.896 ( -0.668 -0.275 1.753) 1.896 28.938 ( -0.810 -2.015 0.165) 2.178 29.243 ( 0.316 2.601 -0.188) 2.627 29.260 ( -0.130 2.620 -0.365) 2.649 29.272 ( 0.218 1.992 -1.221) 2.346 29.282 ( -0.049 1.413 -1.210) 1.861 29.692 ( 0.125 -1.593 1.654) 2.300 29.708 ( -0.375 -3.317 1.331) 3.594 29.744 ( 0.435 -4.870 -0.448) 4.910 29.756 ( 0.041 -4.634 -0.667) 4.682 ======================= Grid point 107 (42/60) ======================= q-point: ( 0.40 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.033 ( 1.321 5.730 0.379) 5.893 4.052 ( -0.309 5.360 -0.708) 5.415 4.118 ( 0.412 2.708 -0.113) 2.742 4.131 ( -0.810 1.814 -0.945) 2.200 5.461 ( 19.952 33.130 21.787) 44.389 5.906 ( -21.484 23.999 13.946) 35.099 6.065 ( 10.895 19.728 18.653) 29.255 6.292 ( -2.263 11.129 2.226) 11.573 6.479 ( -9.877 3.211 2.639) 10.716 6.592 ( -13.550 4.692 3.736) 14.818 7.031 ( -1.801 -17.114 -1.299) 17.258 7.087 ( -6.408 -12.249 -1.068) 13.865 7.305 ( 8.104 18.066 6.664) 20.891 7.507 ( -12.860 17.443 3.121) 21.895 8.184 ( 11.322 15.677 -16.086) 25.154 8.252 ( 1.969 -3.000 13.009) 13.494 8.271 ( 2.164 0.386 4.465) 4.976 8.452 ( -13.137 13.060 -7.950) 20.158 8.526 ( 9.334 0.455 4.820) 10.514 8.705 ( -10.851 -12.182 4.408) 16.899 8.732 ( 11.657 15.725 7.490) 20.959 8.941 ( -8.622 3.218 0.426) 9.213 9.084 ( 10.945 12.231 1.584) 16.490 9.252 ( -1.873 13.903 4.177) 14.637 9.427 ( 6.014 2.545 -4.274) 7.805 9.533 ( -3.716 -8.219 -6.342) 11.027 9.921 ( 9.852 5.097 -6.784) 13.002 10.069 ( 1.051 -4.708 -7.590) 8.994 10.132 ( 2.306 8.347 -1.854) 8.856 10.179 ( 4.707 17.966 -5.225) 19.294 10.462 ( -1.977 12.781 1.273) 12.996 10.523 ( -7.138 13.945 2.503) 15.864 10.685 ( 3.803 7.804 -2.842) 9.135 10.771 ( -1.374 6.274 -10.060) 11.936 10.879 ( 6.556 3.132 -10.473) 12.746 11.026 ( -6.063 2.191 -5.197) 8.281 11.276 ( 12.200 -2.352 1.001) 12.465 11.369 ( 4.206 9.977 1.297) 10.905 11.629 ( 2.203 5.771 -7.162) 9.458 11.693 ( 6.221 -4.121 1.533) 7.618 11.781 ( -4.565 5.812 -1.245) 7.494 11.988 ( -13.890 -4.127 0.694) 14.507 12.101 ( 2.262 -0.493 -1.383) 2.697 12.205 ( -0.933 -6.304 -1.892) 6.648 12.285 ( 1.621 5.264 -2.880) 6.216 12.401 ( 12.929 14.228 -6.227) 20.209 12.455 ( -1.505 7.129 -6.708) 9.904 12.620 ( -5.867 -2.666 -6.194) 8.938 12.705 ( 6.481 4.928 4.556) 9.330 12.888 ( -6.023 10.815 -2.042) 12.546 13.084 ( -15.887 -13.926 11.473) 24.041 13.097 ( -12.018 -12.236 9.671) 19.690 13.717 ( 9.672 -10.956 11.988) 18.902 13.762 ( 6.043 -9.257 10.874) 15.506 13.948 ( -0.034 -9.587 9.118) 13.230 14.027 ( -7.878 -7.682 4.251) 11.796 14.856 ( 4.707 -1.487 -2.759) 5.655 14.878 ( 2.434 -2.511 3.928) 5.259 15.041 ( 1.130 -7.469 2.842) 8.071 15.063 ( -1.393 -3.881 5.663) 7.005 15.273 ( 4.852 5.435 -10.074) 12.433 15.355 ( -4.009 6.772 -6.698) 10.334 15.627 ( 4.815 -3.182 -12.370) 13.650 15.717 ( -4.674 -2.689 -13.785) 14.802 16.427 ( 2.634 -2.008 3.814) 5.051 16.517 ( -6.489 -3.553 2.255) 7.734 16.555 ( 0.198 -7.141 1.357) 7.272 16.583 ( -3.041 -5.227 -2.557) 6.566 16.756 ( 0.008 5.716 2.320) 6.169 16.784 ( -3.054 1.967 3.048) 4.742 17.026 ( 2.396 -2.704 -1.741) 4.010 17.056 ( -1.084 -3.135 -2.162) 3.959 17.074 ( 4.068 0.816 2.666) 4.932 17.133 ( -2.187 -0.547 5.055) 5.535 17.521 ( 1.954 -15.302 -6.615) 16.784 17.547 ( -0.870 -14.514 -3.748) 15.015 17.690 ( 3.521 5.345 8.534) 10.667 17.743 ( -2.129 5.275 8.121) 9.915 17.849 ( 2.010 -2.035 -0.678) 2.939 17.875 ( -0.674 -1.984 -1.583) 2.626 18.195 ( 0.501 6.441 -0.656) 6.494 18.205 ( -0.582 6.128 -1.334) 6.298 18.381 ( 0.232 -1.897 -13.722) 13.855 18.391 ( -0.850 -2.562 -13.923) 14.182 18.989 ( 0.688 2.465 -3.700) 4.499 18.999 ( -0.412 2.894 -3.883) 4.860 19.265 ( 1.688 -11.386 -14.663) 18.641 19.294 ( -1.455 -11.527 -14.961) 18.943 20.015 ( 0.935 1.178 2.269) 2.722 20.048 ( -0.076 0.732 5.509) 5.558 20.074 ( -1.836 -0.149 0.232) 1.857 20.111 ( -3.301 -1.666 1.827) 4.124 20.298 ( 3.010 -2.182 5.307) 6.479 20.315 ( 3.392 -2.711 4.960) 6.592 20.351 ( -2.125 -2.427 1.882) 3.735 20.365 ( -1.303 -2.242 4.168) 4.909 20.765 ( 1.869 -1.621 4.101) 4.789 20.804 ( -2.043 -0.949 4.365) 4.912 20.877 ( 1.855 -4.200 2.361) 5.163 20.910 ( -1.620 -3.850 1.951) 4.610 21.257 ( 2.511 5.614 6.310) 8.811 21.304 ( -2.502 5.571 4.291) 7.464 21.485 ( 0.953 -2.748 4.323) 5.210 21.505 ( -0.407 1.596 1.153) 2.011 21.527 ( -1.282 -0.718 5.580) 5.771 21.557 ( -2.857 3.683 2.798) 5.437 21.710 ( 1.777 0.658 0.719) 2.027 21.733 ( -0.353 0.586 -0.264) 0.733 21.774 ( 1.920 2.765 1.308) 3.611 21.795 ( -0.451 4.439 -3.080) 5.422 21.914 ( 0.641 0.470 1.386) 1.598 21.923 ( -0.378 -0.105 1.297) 1.355 22.031 ( 0.766 4.076 2.560) 4.873 22.045 ( -1.000 5.425 2.389) 6.011 22.298 ( 1.261 -6.055 0.961) 6.260 22.321 ( -1.274 -5.516 2.677) 6.263 22.423 ( 0.402 -0.244 -4.303) 4.329 22.427 ( -0.081 -0.987 -4.311) 4.423 22.492 ( 1.018 -3.476 0.851) 3.721 22.504 ( -0.212 -3.361 1.059) 3.530 22.854 ( 1.819 3.903 -8.460) 9.493 22.887 ( -1.675 3.800 -8.276) 9.260 22.920 ( 1.520 0.898 -9.962) 10.118 22.947 ( -1.334 1.242 -9.982) 10.147 23.622 ( 1.733 0.979 3.941) 4.416 23.638 ( 1.390 -0.030 2.858) 3.178 23.658 ( -1.345 0.227 3.903) 4.134 23.673 ( -1.565 -0.442 3.186) 3.577 24.047 ( 0.116 3.837 2.006) 4.331 24.054 ( -0.629 3.908 1.649) 4.288 24.115 ( 1.657 -0.093 2.360) 2.885 24.142 ( -1.227 -0.086 1.459) 1.909 24.740 ( 1.277 -1.029 6.244) 6.456 24.762 ( -1.032 -0.672 4.879) 5.032 24.806 ( 1.449 -4.761 1.485) 5.194 24.838 ( -1.867 -4.960 1.162) 5.425 25.246 ( 1.072 2.094 2.612) 3.515 25.267 ( -1.072 1.806 2.033) 2.923 25.385 ( 0.997 -2.027 -1.844) 2.916 25.398 ( -0.475 -2.761 -2.371) 3.671 25.467 ( 0.243 -1.640 -0.593) 1.761 25.475 ( -0.475 -1.285 -1.222) 1.835 25.496 ( 0.018 -1.922 0.151) 1.928 25.502 ( -0.489 -1.740 0.166) 1.815 25.917 ( 1.107 2.962 -2.453) 4.002 25.939 ( -1.097 3.226 -3.389) 4.805 25.998 ( 2.318 -1.013 -5.371) 5.937 26.045 ( -2.654 -1.330 -6.478) 7.126 26.238 ( 0.344 1.886 0.819) 2.084 26.246 ( -0.312 1.918 0.933) 2.156 26.286 ( 0.280 0.192 1.250) 1.295 26.291 ( -0.166 0.406 0.756) 0.874 26.465 ( 0.774 -1.552 1.595) 2.356 26.476 ( -0.495 -1.356 1.377) 1.995 26.485 ( 0.680 -1.935 0.917) 2.246 26.499 ( -0.757 -1.417 0.743) 1.770 26.891 ( 0.660 2.924 0.293) 3.012 26.900 ( 0.288 2.583 -0.432) 2.634 26.905 ( -0.380 2.931 0.385) 2.981 26.912 ( -0.498 2.696 -0.349) 2.764 27.355 ( 0.184 0.308 0.468) 0.590 27.357 ( -0.082 0.651 0.419) 0.779 27.373 ( 0.301 -0.428 0.516) 0.735 27.380 ( -0.428 -0.189 0.207) 0.512 28.206 ( 0.071 -0.650 -1.130) 1.306 28.210 ( -0.321 -0.369 -1.326) 1.413 28.252 ( 0.547 -2.817 -1.092) 3.071 28.261 ( -0.357 -2.693 -1.502) 3.105 28.859 ( 0.848 0.046 1.139) 1.421 28.877 ( -0.991 -0.033 1.355) 1.679 28.898 ( 1.019 -1.704 -0.206) 1.996 28.919 ( -1.193 -1.903 -0.087) 2.247 29.250 ( 0.402 2.568 -0.218) 2.609 29.256 ( -0.280 2.603 -0.283) 2.633 29.277 ( 0.252 1.757 -1.174) 2.128 29.280 ( -0.160 1.569 -1.165) 1.961 29.695 ( 0.247 -2.042 1.553) 2.578 29.701 ( -0.352 -2.681 1.423) 3.055 29.752 ( 0.326 -4.806 -0.503) 4.843 29.756 ( -0.081 -4.709 -0.594) 4.747 ======================= Grid point 110 (43/60) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.101 ( 0.000 -2.957 0.125) 2.959 4.101 ( 0.000 2.957 0.125) 2.959 4.142 ( 0.000 -3.528 -2.324) 4.224 4.142 ( 0.000 3.528 -2.324) 4.225 5.863 ( 0.000 -13.006 11.092) 17.094 5.863 ( 0.000 13.006 11.092) 17.094 6.452 ( 0.000 -4.691 23.467) 23.932 6.452 ( 0.000 4.691 23.467) 23.932 6.836 ( 0.000 -9.421 1.397) 9.524 6.836 ( 0.000 9.421 1.397) 9.524 7.463 ( 0.000 -5.144 8.671) 10.082 7.463 ( 0.000 5.144 8.671) 10.082 7.561 ( 0.000 -10.119 -10.925) 14.891 7.561 ( 0.000 10.119 -10.925) 14.891 7.982 ( 0.000 -21.815 10.693) 24.294 7.982 ( 0.000 21.815 10.693) 24.294 8.404 ( 0.000 -2.391 6.984) 7.382 8.404 ( 0.000 2.391 6.984) 7.382 8.727 ( 0.000 -6.622 -14.467) 15.911 8.727 ( 0.000 6.622 -14.467) 15.911 9.046 ( 0.000 -5.071 -4.949) 7.086 9.046 ( 0.000 5.071 -4.949) 7.086 9.444 ( 0.000 -34.577 5.115) 34.953 9.444 ( 0.000 34.577 5.115) 34.953 9.491 ( 0.000 -12.741 -1.043) 12.784 9.491 ( 0.000 12.741 -1.043) 12.784 9.634 ( 0.000 -0.415 0.309) 0.517 9.634 ( 0.000 0.415 0.309) 0.517 9.927 ( 0.000 -7.302 -16.632) 18.165 9.927 ( 0.000 7.302 -16.632) 18.165 10.296 ( 0.000 -22.721 -15.495) 27.502 10.296 ( 0.000 22.721 -15.495) 27.502 10.531 ( 0.000 -3.141 -8.860) 9.400 10.531 ( 0.000 3.141 -8.860) 9.400 11.219 ( 0.000 -3.058 -1.406) 3.365 11.219 ( 0.000 3.058 -1.406) 3.365 11.248 ( 0.000 -4.238 2.875) 5.121 11.248 ( 0.000 4.238 2.875) 5.121 11.473 ( 0.000 -1.145 -0.812) 1.403 11.473 ( 0.000 1.145 -0.812) 1.403 12.139 ( 0.000 -9.063 9.516) 13.141 12.139 ( 0.000 9.063 9.516) 13.141 12.222 ( 0.000 -10.367 6.687) 12.337 12.222 ( 0.000 10.367 6.687) 12.337 12.367 ( 0.000 -1.802 -1.222) 2.177 12.367 ( 0.000 1.802 -1.222) 2.177 12.720 ( 0.000 -6.674 2.352) 7.077 12.720 ( 0.000 6.674 2.352) 7.077 12.920 ( 0.000 -0.783 7.184) 7.227 12.920 ( 0.000 0.783 7.184) 7.227 13.225 ( 0.000 -8.220 0.607) 8.242 13.225 ( 0.000 8.220 0.607) 8.242 13.638 ( 0.000 -13.402 9.852) 16.634 13.638 ( 0.000 13.402 9.852) 16.634 13.852 ( 0.000 -18.052 4.937) 18.715 13.852 ( 0.000 18.052 4.937) 18.715 14.642 ( 0.000 -5.123 5.329) 7.392 14.642 ( 0.000 5.123 5.329) 7.392 15.032 ( 0.000 -4.422 -9.099) 10.116 15.032 ( 0.000 4.422 -9.099) 10.116 15.351 ( 0.000 -11.748 -1.697) 11.870 15.351 ( 0.000 11.748 -1.697) 11.870 15.669 ( 0.000 -10.917 -6.670) 12.793 15.669 ( 0.000 10.917 -6.670) 12.793 16.478 ( 0.000 -0.011 6.053) 6.053 16.478 ( 0.000 0.011 6.053) 6.053 16.739 ( 0.000 -3.972 -5.067) 6.438 16.739 ( 0.000 3.972 -5.067) 6.438 16.887 ( 0.000 -5.490 -2.511) 6.037 16.887 ( 0.000 5.490 -2.511) 6.037 16.947 ( 0.000 -1.277 1.094) 1.681 16.947 ( 0.000 1.277 1.094) 1.681 17.105 ( 0.000 -15.108 -8.551) 17.360 17.105 ( 0.000 15.108 -8.551) 17.360 17.227 ( 0.000 -13.513 -4.810) 14.344 17.227 ( 0.000 13.513 -4.810) 14.344 17.711 ( 0.000 -5.539 6.474) 8.520 17.711 ( 0.000 5.539 6.474) 8.520 17.838 ( 0.000 -1.921 4.779) 5.151 17.838 ( 0.000 1.921 4.779) 5.151 18.308 ( 0.000 -5.306 -5.519) 7.656 18.308 ( 0.000 5.306 -5.519) 7.656 18.318 ( 0.000 -4.347 -9.340) 10.302 18.318 ( 0.000 4.347 -9.340) 10.302 19.053 ( 0.000 -6.088 -9.252) 11.075 19.053 ( 0.000 6.088 -9.252) 11.075 19.125 ( 0.000 -7.708 -10.918) 13.365 19.125 ( 0.000 7.708 -10.918) 13.365 20.042 ( 0.000 -1.295 7.007) 7.125 20.042 ( 0.000 1.295 7.007) 7.125 20.142 ( 0.000 -0.249 2.999) 3.009 20.142 ( 0.000 0.249 2.999) 3.009 20.277 ( 0.000 -1.317 0.305) 1.352 20.277 ( 0.000 1.317 0.305) 1.352 20.311 ( 0.000 -3.968 -1.177) 4.139 20.311 ( 0.000 3.968 -1.177) 4.139 20.722 ( 0.000 -2.275 2.643) 3.488 20.722 ( 0.000 2.275 2.643) 3.488 20.884 ( 0.000 -2.319 4.030) 4.650 20.884 ( 0.000 2.319 4.030) 4.650 21.361 ( 0.000 -6.875 12.752) 14.487 21.361 ( 0.000 6.875 12.752) 14.487 21.522 ( 0.000 -7.091 8.616) 11.159 21.522 ( 0.000 7.091 8.616) 11.159 21.623 ( 0.000 -0.826 0.102) 0.832 21.623 ( 0.000 0.826 0.102) 0.832 21.674 ( 0.000 -4.437 1.549) 4.700 21.674 ( 0.000 4.437 1.549) 4.700 21.796 ( 0.000 -6.219 -0.265) 6.225 21.796 ( 0.000 6.219 -0.265) 6.225 21.904 ( 0.000 -1.690 -1.475) 2.243 21.904 ( 0.000 1.690 -1.475) 2.243 22.120 ( 0.000 -7.513 -0.906) 7.568 22.120 ( 0.000 7.513 -0.906) 7.568 22.229 ( 0.000 -6.925 1.356) 7.057 22.229 ( 0.000 6.925 1.356) 7.057 22.408 ( 0.000 -0.764 -0.849) 1.142 22.408 ( 0.000 0.764 -0.849) 1.142 22.437 ( 0.000 -2.251 0.843) 2.404 22.437 ( 0.000 2.251 0.843) 2.404 22.875 ( 0.000 -1.719 -9.890) 10.038 22.875 ( 0.000 1.719 -9.890) 10.038 22.977 ( 0.000 -1.404 -9.576) 9.678 22.977 ( 0.000 1.404 -9.576) 9.678 23.604 ( 0.000 -0.356 4.215) 4.230 23.604 ( 0.000 0.356 4.215) 4.230 23.700 ( 0.000 -0.618 3.968) 4.016 23.700 ( 0.000 0.618 3.968) 4.016 24.068 ( 0.000 -0.266 1.641) 1.663 24.068 ( 0.000 0.266 1.641) 1.663 24.140 ( 0.000 -2.377 1.627) 2.881 24.140 ( 0.000 2.377 1.627) 2.881 24.710 ( 0.000 -1.431 3.112) 3.425 24.710 ( 0.000 1.431 3.112) 3.425 24.806 ( 0.000 -2.098 0.404) 2.136 24.806 ( 0.000 2.098 0.404) 2.136 25.290 ( 0.000 -3.923 1.834) 4.331 25.290 ( 0.000 3.923 1.834) 4.331 25.332 ( 0.000 -3.276 1.124) 3.463 25.332 ( 0.000 3.276 1.124) 3.463 25.452 ( 0.000 -0.446 -1.148) 1.231 25.452 ( 0.000 0.446 -1.148) 1.231 25.505 ( 0.000 -0.074 -2.198) 2.199 25.505 ( 0.000 0.074 -2.198) 2.199 25.931 ( 0.000 -0.604 -2.284) 2.363 25.931 ( 0.000 0.604 -2.284) 2.363 26.059 ( 0.000 -3.590 -6.675) 7.579 26.059 ( 0.000 3.590 -6.675) 7.579 26.251 ( 0.000 -0.137 2.589) 2.593 26.251 ( 0.000 0.137 2.589) 2.593 26.298 ( 0.000 -0.501 0.987) 1.107 26.298 ( 0.000 0.501 0.987) 1.107 26.429 ( 0.000 -0.746 1.154) 1.374 26.429 ( 0.000 0.746 1.154) 1.374 26.489 ( 0.000 -1.081 0.656) 1.264 26.489 ( 0.000 1.081 0.656) 1.264 26.907 ( 0.000 -0.226 0.195) 0.298 26.907 ( 0.000 0.226 0.195) 0.298 26.960 ( 0.000 -0.003 0.531) 0.531 26.960 ( 0.000 0.003 0.531) 0.531 27.338 ( 0.000 -0.308 0.442) 0.538 27.338 ( 0.000 0.308 0.442) 0.538 27.393 ( 0.000 -0.475 0.522) 0.706 27.393 ( 0.000 0.475 0.522) 0.706 28.194 ( 0.000 -0.301 -1.139) 1.178 28.194 ( 0.000 0.301 -1.139) 1.178 28.235 ( 0.000 -0.869 -1.758) 1.961 28.235 ( 0.000 0.869 -1.758) 1.961 28.852 ( 0.000 -0.795 0.115) 0.803 28.852 ( 0.000 0.795 0.115) 0.803 28.912 ( 0.000 -1.124 1.113) 1.582 28.912 ( 0.000 1.124 1.113) 1.582 29.278 ( 0.000 -0.811 -1.090) 1.358 29.278 ( 0.000 0.811 -1.090) 1.358 29.303 ( 0.000 -0.629 -0.752) 0.980 29.303 ( 0.000 0.629 -0.752) 0.980 29.674 ( 0.000 -0.619 0.772) 0.990 29.674 ( 0.000 0.619 0.772) 0.990 29.690 ( 0.000 -1.599 0.376) 1.643 29.690 ( 0.000 1.599 0.376) 1.643 ======================= Grid point 112 (44/60) ======================= q-point: ( 0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.105 ( 0.454 -2.770 0.003) 2.807 4.105 ( 0.454 2.770 0.003) 2.807 4.139 ( -0.325 -2.950 -1.945) 3.548 4.139 ( -0.325 2.950 -1.945) 3.548 5.903 ( 4.471 -16.992 11.021) 20.740 5.903 ( 4.471 16.992 11.021) 20.740 6.469 ( 2.276 -8.603 20.082) 21.966 6.469 ( 2.276 8.603 20.082) 21.966 6.726 ( -12.882 -9.371 1.299) 15.983 6.726 ( -12.882 9.371 1.299) 15.983 7.075 ( -21.933 -7.548 2.391) 23.318 7.075 ( -21.933 7.548 2.391) 23.318 7.721 ( 3.561 -20.051 -2.250) 20.489 7.721 ( 3.561 20.051 -2.250) 20.489 8.005 ( 0.667 -14.884 17.898) 23.288 8.005 ( 0.667 14.884 17.898) 23.288 8.455 ( 4.024 -6.684 -0.764) 7.840 8.455 ( 4.024 6.684 -0.764) 7.840 8.708 ( -3.484 -12.905 -7.670) 15.412 8.708 ( -3.484 12.905 -7.670) 15.412 8.939 ( -7.178 -9.944 -9.255) 15.364 8.939 ( -7.178 9.944 -9.255) 15.364 9.336 ( -5.205 -9.023 -6.331) 12.190 9.336 ( -5.205 9.023 -6.331) 12.190 9.647 ( 7.146 -17.860 2.556) 19.405 9.647 ( 7.146 17.860 2.556) 19.405 9.690 ( 7.586 -14.118 -8.035) 17.928 9.690 ( 7.586 14.118 -8.035) 17.928 10.130 ( 21.283 -14.229 -2.925) 25.768 10.130 ( 21.283 14.229 -2.925) 25.768 10.409 ( 10.241 -17.788 -10.346) 22.985 10.409 ( 10.241 17.788 -10.346) 22.985 10.622 ( 7.643 -3.592 -7.848) 11.529 10.622 ( 7.643 3.592 -7.848) 11.529 11.077 ( -9.679 -2.898 -3.315) 10.634 11.077 ( -9.679 2.898 -3.315) 10.634 11.254 ( 3.206 -5.934 -0.809) 6.793 11.254 ( 3.206 5.934 -0.809) 6.793 11.640 ( 8.649 -0.985 3.247) 9.291 11.640 ( 8.649 0.985 3.247) 9.291 12.018 ( -15.260 -10.486 5.349) 19.273 12.018 ( -15.260 10.486 5.349) 19.273 12.171 ( -2.633 -5.167 5.086) 7.714 12.171 ( -2.633 5.167 5.086) 7.714 12.400 ( 4.202 -2.792 1.326) 5.216 12.400 ( 4.202 2.792 1.326) 5.216 12.645 ( -5.740 -10.873 0.742) 12.318 12.645 ( -5.740 10.873 0.742) 12.318 12.942 ( 0.981 -4.982 5.107) 7.202 12.942 ( 0.981 4.982 5.107) 7.202 13.157 ( -6.284 -11.164 2.718) 13.096 13.157 ( -6.284 11.164 2.718) 13.096 13.644 ( 0.783 -10.855 9.851) 14.679 13.644 ( 0.783 10.855 9.851) 14.679 13.832 ( -2.489 -19.323 5.841) 20.339 13.832 ( -2.489 19.323 5.841) 20.339 14.701 ( 6.081 -3.762 5.136) 8.804 14.701 ( 6.081 3.762 5.136) 8.804 15.020 ( -1.656 -3.879 -6.131) 7.442 15.020 ( -1.656 3.879 -6.131) 7.442 15.387 ( 3.704 -11.273 -3.563) 12.390 15.387 ( 3.704 11.273 -3.563) 12.390 15.643 ( -2.870 -10.945 -6.639) 13.119 15.643 ( -2.870 10.945 -6.639) 13.119 16.452 ( -2.197 -2.762 4.455) 5.683 16.452 ( -2.197 2.762 4.455) 5.683 16.633 ( -8.194 -1.579 -3.772) 9.158 16.633 ( -8.194 1.579 -3.772) 9.158 16.908 ( 0.687 -0.731 -1.809) 2.068 16.908 ( 0.687 0.731 -1.809) 2.068 16.955 ( -0.239 -1.821 -1.217) 2.203 16.955 ( -0.239 1.821 -1.217) 2.203 17.140 ( 3.859 -13.443 -7.774) 16.001 17.140 ( 3.859 13.443 -7.774) 16.001 17.244 ( 1.152 -12.046 -4.094) 12.775 17.244 ( 1.152 12.046 -4.094) 12.775 17.735 ( 2.506 -4.973 6.417) 8.497 17.735 ( 2.506 4.973 6.417) 8.497 17.840 ( 0.021 -2.234 4.950) 5.431 17.840 ( 0.021 2.234 4.950) 5.431 18.310 ( 0.136 -5.001 -5.751) 7.623 18.310 ( 0.136 5.001 -5.751) 7.623 18.316 ( -0.143 -4.221 -8.744) 9.710 18.316 ( -0.143 4.221 -8.744) 9.710 19.061 ( 0.796 -6.158 -9.458) 11.314 19.061 ( 0.796 6.158 -9.458) 11.314 19.119 ( -0.658 -7.526 -10.811) 13.189 19.119 ( -0.658 7.526 -10.811) 13.189 20.022 ( -1.209 -0.516 4.400) 4.592 20.022 ( -1.209 0.516 4.400) 4.592 20.158 ( -1.573 -1.590 -0.181) 2.244 20.158 ( -1.573 1.590 -0.181) 2.244 20.234 ( 0.136 -1.832 2.874) 3.411 20.234 ( 0.136 1.832 2.874) 3.411 20.341 ( 1.060 -0.778 1.348) 1.883 20.341 ( 1.060 0.778 1.348) 1.883 20.744 ( 2.113 -2.729 3.648) 5.022 20.744 ( 2.113 2.729 3.648) 5.022 20.872 ( -1.272 -2.356 4.372) 5.127 20.872 ( -1.272 2.356 4.372) 5.127 21.361 ( 0.201 -6.272 10.939) 12.611 21.361 ( 0.201 6.272 10.939) 12.611 21.493 ( -2.949 -5.694 7.584) 9.932 21.493 ( -2.949 5.694 7.584) 9.932 21.614 ( -0.501 -4.627 1.020) 4.765 21.614 ( -0.501 4.627 1.020) 4.765 21.668 ( -0.607 -4.031 2.987) 5.054 21.668 ( -0.607 4.031 2.987) 5.054 21.831 ( 2.873 -5.316 -0.471) 6.061 21.831 ( 2.873 5.316 -0.471) 6.061 21.902 ( -0.091 -2.371 -1.709) 2.924 21.902 ( -0.091 2.371 -1.709) 2.924 22.131 ( 1.163 -7.255 -0.600) 7.373 22.131 ( 1.163 7.255 -0.600) 7.373 22.217 ( -1.274 -7.000 0.911) 7.173 22.217 ( -1.274 7.000 0.911) 7.173 22.417 ( 0.847 -1.156 -0.626) 1.564 22.417 ( 0.847 1.156 -0.626) 1.564 22.441 ( 0.320 -2.242 0.179) 2.271 22.441 ( 0.320 2.242 0.179) 2.271 22.885 ( 1.108 -1.709 -9.656) 9.868 22.885 ( 1.108 1.709 -9.656) 9.868 22.968 ( -0.957 -1.444 -9.396) 9.554 22.968 ( -0.957 1.444 -9.396) 9.554 23.612 ( 0.855 -0.385 4.113) 4.219 23.612 ( 0.855 0.385 4.113) 4.219 23.690 ( -1.039 -0.556 3.929) 4.102 23.690 ( -1.039 0.556 3.929) 4.102 24.077 ( 0.990 -0.583 1.606) 1.975 24.077 ( 0.990 0.583 1.606) 1.975 24.136 ( -0.475 -2.310 1.640) 2.872 24.136 ( -0.475 2.310 1.640) 2.872 24.717 ( 0.814 -1.369 3.100) 3.485 24.717 ( 0.814 1.369 3.100) 3.485 24.795 ( -1.122 -1.900 0.940) 2.399 24.795 ( -1.122 1.900 0.940) 2.399 25.297 ( 0.666 -3.969 1.734) 4.382 25.297 ( 0.666 3.969 1.734) 4.382 25.331 ( -0.136 -3.324 1.227) 3.546 25.331 ( -0.136 3.324 1.227) 3.546 25.453 ( 0.218 -0.572 -1.283) 1.421 25.453 ( 0.218 0.572 -1.283) 1.421 25.498 ( -0.750 -0.199 -2.114) 2.252 25.498 ( -0.750 0.199 -2.114) 2.252 25.940 ( 0.977 -1.028 -2.810) 3.148 25.940 ( 0.977 1.028 -2.810) 3.148 26.043 ( -1.655 -3.251 -6.298) 7.279 26.043 ( -1.655 3.251 -6.298) 7.279 26.256 ( 0.508 -0.421 2.354) 2.445 26.256 ( 0.508 0.421 2.354) 2.445 26.295 ( -0.334 -0.514 1.179) 1.329 26.295 ( -0.334 0.514 1.179) 1.329 26.437 ( 0.841 -0.732 1.087) 1.557 26.437 ( 0.841 0.732 1.087) 1.557 26.485 ( -0.461 -1.009 0.677) 1.299 26.485 ( -0.461 1.009 0.677) 1.299 26.912 ( 0.514 -0.225 0.206) 0.598 26.912 ( 0.514 0.225 0.206) 0.598 26.955 ( -0.571 -0.045 0.478) 0.746 26.955 ( -0.571 0.045 0.478) 0.746 27.344 ( 0.589 -0.249 0.458) 0.786 27.344 ( 0.589 0.249 0.458) 0.786 27.388 ( -0.531 -0.441 0.523) 0.866 27.388 ( -0.531 0.441 0.523) 0.866 28.198 ( 0.404 -0.496 -1.195) 1.355 28.198 ( 0.404 0.496 -1.195) 1.355 28.231 ( -0.429 -0.885 -1.696) 1.960 28.231 ( -0.429 0.885 -1.696) 1.960 28.856 ( 0.481 -0.848 0.180) 0.992 28.856 ( 0.481 0.848 0.180) 0.992 28.905 ( -0.738 -1.108 0.982) 1.654 28.905 ( -0.738 1.108 0.982) 1.654 29.281 ( 0.293 -0.778 -1.026) 1.320 29.281 ( 0.293 0.778 -1.026) 1.320 29.301 ( -0.192 -0.629 -0.754) 1.001 29.301 ( -0.192 0.629 -0.754) 1.001 29.676 ( 0.265 -0.910 0.729) 1.196 29.676 ( 0.265 0.910 0.729) 1.196 29.690 ( -0.064 -1.583 0.409) 1.637 29.690 ( -0.064 1.583 0.409) 1.637 ======================= Grid point 114 (45/60) ======================= q-point: ( 0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.117 ( 0.746 -2.201 -0.398) 2.358 4.117 ( 0.746 2.201 -0.398) 2.358 4.130 ( -0.648 -1.947 -1.121) 2.338 4.130 ( -0.648 1.947 -1.121) 2.338 6.041 ( 11.580 -18.765 9.149) 23.873 6.041 ( 11.580 18.765 9.149) 23.873 6.339 ( -19.791 -13.025 6.096) 24.464 6.339 ( -19.791 13.025 6.096) 24.464 6.610 ( 7.613 -9.202 10.318) 15.783 6.610 ( 7.613 9.202 10.318) 15.783 6.792 ( -11.467 -8.947 5.923) 15.705 6.792 ( -11.467 8.947 5.923) 15.705 7.785 ( 5.449 -22.368 7.545) 24.227 7.785 ( 5.449 22.368 7.545) 24.227 7.925 ( -8.433 -18.618 16.151) 26.050 7.925 ( -8.433 18.618 16.151) 26.050 8.516 ( 3.274 -5.974 -7.093) 9.834 8.516 ( 3.274 5.974 -7.093) 9.834 8.600 ( -6.103 -3.597 -5.777) 9.141 8.600 ( -6.103 3.597 -5.777) 9.141 8.963 ( 8.215 -13.684 -12.780) 20.447 8.963 ( 8.215 13.684 -12.780) 20.447 9.159 ( -11.962 -14.628 -12.948) 22.906 9.159 ( -11.962 14.628 -12.948) 22.906 9.801 ( 6.814 -14.207 -2.430) 15.943 9.801 ( 6.814 14.207 -2.430) 15.943 9.836 ( 4.979 -20.006 -0.561) 20.624 9.836 ( 4.979 20.006 -0.561) 20.624 10.495 ( 13.546 -13.517 -0.369) 19.140 10.495 ( 13.546 13.517 -0.369) 19.140 10.588 ( 5.680 -11.601 -0.476) 12.925 10.588 ( 5.680 11.601 -0.476) 12.925 10.764 ( 10.205 -10.136 -4.576) 15.094 10.764 ( 10.205 10.136 -4.576) 15.094 10.963 ( -6.145 -5.731 -4.740) 9.648 10.963 ( -6.145 5.731 -4.740) 9.648 11.337 ( 7.882 -12.387 2.291) 14.860 11.337 ( 7.882 12.387 2.291) 14.860 11.578 ( -15.545 -4.370 6.124) 17.270 11.578 ( -15.545 4.370 6.124) 17.270 11.863 ( 3.573 -11.554 -6.107) 13.548 11.863 ( 3.573 11.554 -6.107) 13.548 12.027 ( -12.107 -9.080 -6.719) 16.559 12.027 ( -12.107 9.080 -6.719) 16.559 12.517 ( 6.701 -5.654 5.444) 10.320 12.517 ( 6.701 5.654 5.444) 10.320 12.587 ( -1.262 -5.403 4.598) 7.206 12.587 ( -1.262 5.403 4.598) 7.206 12.954 ( 1.763 -1.992 3.591) 4.469 12.954 ( 1.763 1.992 3.591) 4.469 13.037 ( -6.418 -10.281 3.315) 12.565 13.037 ( -6.418 10.281 3.315) 12.565 13.678 ( 3.313 -4.461 9.844) 11.304 13.678 ( 3.313 4.461 9.844) 11.304 13.759 ( -4.970 -12.227 8.254) 15.567 13.759 ( -4.970 12.227 8.254) 15.567 14.836 ( 7.810 -1.880 2.973) 8.566 14.836 ( 7.810 1.880 2.973) 8.566 14.959 ( -5.239 -2.553 -1.176) 5.946 14.959 ( -5.239 2.553 -1.176) 5.946 15.473 ( 5.364 -10.669 -5.670) 13.219 15.473 ( 5.364 10.669 -5.670) 13.219 15.570 ( -4.951 -10.776 -6.420) 13.485 15.570 ( -4.951 10.776 -6.420) 13.485 16.433 ( 0.994 -3.057 1.233) 3.443 16.433 ( 0.994 3.057 1.233) 3.443 16.498 ( -5.940 -1.878 -1.450) 6.397 16.498 ( -5.940 1.878 -1.450) 6.397 16.918 ( 0.702 -1.540 -2.431) 2.962 16.918 ( 0.702 1.540 -2.431) 2.962 16.937 ( -1.254 -2.314 -2.878) 3.900 16.937 ( -1.254 2.314 -2.878) 3.900 17.212 ( 3.281 -12.000 -5.334) 13.536 17.212 ( 3.281 12.000 -5.334) 13.536 17.249 ( -0.821 -11.441 -4.048) 12.164 17.249 ( -0.821 11.441 -4.048) 12.164 17.789 ( 2.975 -3.852 6.074) 7.784 17.789 ( 2.975 3.852 6.074) 7.784 17.830 ( -1.325 -2.935 5.471) 6.349 17.830 ( -1.325 2.935 5.471) 6.349 18.312 ( 0.124 -4.061 -6.455) 7.627 18.312 ( 0.124 4.061 -6.455) 7.627 18.314 ( -0.088 -3.796 -7.484) 8.392 18.314 ( -0.088 3.796 -7.484) 8.392 19.080 ( 1.218 -6.468 -9.942) 11.923 19.080 ( 1.218 6.468 -9.942) 11.923 19.102 ( -1.118 -7.028 -10.463) 12.654 19.102 ( -1.118 7.028 -10.463) 12.654 20.023 ( 1.613 -1.058 0.803) 2.090 20.023 ( 1.613 1.058 0.803) 2.090 20.081 ( -4.573 -0.926 -1.789) 4.997 20.081 ( -4.573 0.926 -1.789) 4.997 20.288 ( 3.601 -0.405 4.808) 6.021 20.288 ( 3.601 0.405 4.808) 6.021 20.337 ( -1.524 -0.446 3.459) 3.806 20.337 ( -1.524 0.446 3.459) 3.806 20.790 ( 2.717 -3.093 5.140) 6.586 20.790 ( 2.717 3.093 5.140) 6.586 20.838 ( -2.432 -2.734 5.200) 6.358 20.838 ( -2.432 2.734 5.200) 6.358 21.379 ( 1.957 -5.166 7.771) 9.534 21.379 ( 1.957 5.166 7.771) 9.534 21.430 ( -3.462 -4.694 6.491) 8.726 21.430 ( -3.462 4.694 6.491) 8.726 21.620 ( 1.125 -5.713 3.223) 6.655 21.620 ( 1.125 5.713 3.223) 6.655 21.647 ( -1.600 -4.979 3.921) 6.536 21.647 ( -1.600 4.979 3.921) 6.536 21.877 ( 1.935 -3.937 -1.052) 4.511 21.877 ( 1.935 3.937 -1.052) 4.511 21.899 ( -0.510 -3.002 -1.656) 3.466 21.899 ( -0.510 3.002 -1.656) 3.466 22.158 ( 1.661 -7.093 -0.065) 7.285 22.158 ( 1.661 7.093 -0.065) 7.285 22.189 ( -1.671 -7.118 0.354) 7.320 22.189 ( -1.671 7.118 0.354) 7.320 22.434 ( 0.840 -1.672 -0.710) 2.002 22.434 ( 0.840 1.672 -0.710) 2.002 22.444 ( -0.195 -2.042 -0.642) 2.149 22.444 ( -0.195 2.042 -0.642) 2.149 22.912 ( 1.730 -1.640 -9.234) 9.536 22.912 ( 1.730 1.640 -9.234) 9.536 22.944 ( -1.640 -1.533 -9.134) 9.406 22.944 ( -1.640 1.533 -9.134) 9.406 23.634 ( 1.542 -0.330 3.926) 4.231 23.634 ( 1.542 0.330 3.926) 4.231 23.664 ( -1.650 -0.368 3.865) 4.219 23.664 ( -1.650 0.368 3.865) 4.219 24.100 ( 1.356 -1.231 1.596) 2.429 24.100 ( 1.356 1.231 1.596) 2.429 24.122 ( -1.035 -1.925 1.635) 2.729 24.122 ( -1.035 1.925 1.635) 2.729 24.739 ( 1.483 -1.325 2.835) 3.463 24.739 ( 1.483 1.325 2.835) 3.463 24.768 ( -1.673 -1.524 2.027) 3.039 24.768 ( -1.673 1.524 2.027) 3.039 25.312 ( 0.873 -3.909 1.586) 4.308 25.312 ( 0.873 3.909 1.586) 4.308 25.325 ( -0.551 -3.589 1.436) 3.905 25.325 ( -0.551 3.589 1.436) 3.905 25.462 ( 0.771 -0.661 -1.605) 1.899 25.462 ( 0.771 0.661 -1.605) 1.899 25.480 ( -1.099 -0.466 -1.905) 2.248 25.480 ( -1.099 0.466 -1.905) 2.248 25.966 ( 1.876 -1.761 -4.052) 4.800 25.966 ( 1.876 1.761 -4.052) 4.800 26.005 ( -2.281 -2.543 -5.349) 6.347 26.005 ( -2.281 2.543 -5.349) 6.347 26.269 ( 0.882 -0.737 1.947) 2.261 26.269 ( 0.882 0.737 1.947) 2.261 26.285 ( -0.763 -0.702 1.562) 1.875 26.285 ( -0.763 0.702 1.562) 1.875 26.455 ( 1.056 -0.737 0.926) 1.586 26.455 ( 1.056 0.737 0.926) 1.586 26.473 ( -0.842 -0.850 0.765) 1.420 26.473 ( -0.842 0.850 0.765) 1.420 26.925 ( 0.854 -0.202 0.257) 0.915 26.925 ( 0.854 0.202 0.257) 0.915 26.941 ( -0.890 -0.133 0.361) 0.969 26.941 ( -0.890 0.133 0.361) 0.969 27.358 ( 0.926 -0.216 0.491) 1.070 27.358 ( 0.926 0.216 0.491) 1.070 27.375 ( -0.890 -0.336 0.517) 1.083 27.375 ( -0.890 0.336 0.517) 1.083 28.208 ( 0.662 -0.749 -1.345) 1.676 28.208 ( 0.662 0.749 -1.345) 1.676 28.221 ( -0.678 -0.875 -1.536) 1.893 28.221 ( -0.678 0.875 -1.536) 1.893 28.869 ( 0.901 -0.959 0.378) 1.369 28.869 ( 0.901 0.959 0.378) 1.369 28.888 ( -1.058 -1.055 0.681) 1.642 28.888 ( -1.058 1.055 0.681) 1.642 29.288 ( 0.439 -0.706 -0.893) 1.220 29.288 ( 0.439 0.706 -0.893) 1.220 29.296 ( -0.378 -0.648 -0.791) 1.090 29.296 ( -0.378 0.648 -0.791) 1.090 29.682 ( 0.330 -1.296 0.622) 1.475 29.682 ( 0.330 1.296 0.622) 1.475 29.687 ( -0.206 -1.508 0.500) 1.602 29.687 ( -0.206 1.508 0.500) 1.602 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.594 ( 0.000 0.000 -23.133) 23.133 3.594 ( 0.000 0.000 23.133) 23.133 3.799 ( 0.000 0.000 -7.227) 7.227 3.799 ( 0.000 0.000 7.227) 7.227 4.363 ( 0.000 0.000 -65.261) 65.261 4.363 ( 0.000 0.000 65.261) 65.261 4.860 ( 0.000 0.000 -41.872) 41.872 4.860 ( 0.000 0.000 41.872) 41.872 6.259 ( 0.000 0.000 -17.262) 17.262 6.259 ( 0.000 0.000 17.262) 17.262 6.415 ( 0.000 0.000 -39.760) 39.760 6.415 ( 0.000 0.000 39.760) 39.760 7.129 ( 0.000 0.000 -14.525) 14.525 7.129 ( 0.000 0.000 14.525) 14.525 7.470 ( 0.000 0.000 -55.937) 55.937 7.470 ( 0.000 0.000 55.937) 55.937 7.846 ( 0.000 0.000 -6.129) 6.129 7.846 ( 0.000 0.000 6.129) 6.129 8.660 ( 0.000 0.000 -1.486) 1.486 8.660 ( 0.000 0.000 1.486) 1.486 8.666 ( 0.000 0.000 -26.982) 26.982 8.666 ( 0.000 0.000 26.982) 26.982 9.008 ( 0.000 0.000 -22.513) 22.513 9.008 ( 0.000 0.000 22.513) 22.513 9.436 ( 0.000 0.000 -1.778) 1.778 9.436 ( 0.000 0.000 1.778) 1.778 9.574 ( 0.000 0.000 -4.384) 4.384 9.574 ( 0.000 0.000 4.384) 4.384 9.688 ( 0.000 0.000 -3.835) 3.835 9.688 ( 0.000 0.000 3.835) 3.835 10.240 ( 0.000 0.000 -20.615) 20.615 10.240 ( 0.000 0.000 20.615) 20.615 10.955 ( 0.000 0.000 -14.902) 14.902 10.955 ( 0.000 0.000 14.902) 14.902 11.095 ( 0.000 0.000 -0.530) 0.530 11.095 ( 0.000 0.000 0.530) 0.530 11.215 ( 0.000 0.000 -43.910) 43.910 11.215 ( 0.000 0.000 43.910) 43.910 11.239 ( 0.000 0.000 -1.639) 1.639 11.239 ( 0.000 0.000 1.639) 1.639 11.349 ( 0.000 0.000 -4.057) 4.057 11.349 ( 0.000 0.000 4.057) 4.057 11.875 ( 0.000 0.000 -18.948) 18.948 11.875 ( 0.000 0.000 18.948) 18.948 12.230 ( 0.000 0.000 -5.736) 5.736 12.230 ( 0.000 0.000 5.736) 5.736 12.296 ( 0.000 0.000 -7.350) 7.350 12.296 ( 0.000 0.000 7.350) 7.350 13.287 ( 0.000 0.000 -22.655) 22.655 13.287 ( 0.000 0.000 22.655) 22.655 13.400 ( 0.000 0.000 -3.421) 3.421 13.400 ( 0.000 0.000 3.421) 3.421 14.089 ( 0.000 0.000 -7.536) 7.536 14.089 ( 0.000 0.000 7.536) 7.536 14.233 ( 0.000 0.000 -19.325) 19.325 14.233 ( 0.000 0.000 19.325) 19.325 14.630 ( 0.000 0.000 -21.030) 21.030 14.630 ( 0.000 0.000 21.030) 21.030 14.924 ( 0.000 0.000 -8.810) 8.810 14.924 ( 0.000 0.000 8.810) 8.810 15.272 ( 0.000 0.000 -17.558) 17.558 15.272 ( 0.000 0.000 17.558) 17.558 15.741 ( 0.000 0.000 -15.781) 15.781 15.741 ( 0.000 0.000 15.781) 15.781 16.338 ( 0.000 0.000 -2.984) 2.984 16.338 ( 0.000 0.000 2.984) 2.984 16.946 ( 0.000 0.000 -12.268) 12.268 16.946 ( 0.000 0.000 12.268) 12.268 17.235 ( 0.000 0.000 -10.237) 10.237 17.235 ( 0.000 0.000 10.237) 10.237 17.313 ( 0.000 0.000 -7.024) 7.024 17.313 ( 0.000 0.000 7.024) 7.024 17.467 ( 0.000 0.000 -4.516) 4.516 17.467 ( 0.000 0.000 4.516) 4.516 17.599 ( 0.000 0.000 -11.525) 11.525 17.599 ( 0.000 0.000 11.525) 11.525 17.854 ( 0.000 0.000 -21.416) 21.416 17.854 ( 0.000 0.000 21.416) 21.416 17.855 ( 0.000 0.000 -2.535) 2.535 17.855 ( 0.000 0.000 2.535) 2.535 18.012 ( 0.000 0.000 -4.330) 4.330 18.012 ( 0.000 0.000 4.330) 4.330 18.200 ( 0.000 0.000 -18.462) 18.462 18.200 ( 0.000 0.000 18.462) 18.462 19.652 ( 0.000 0.000 -7.943) 7.943 19.652 ( 0.000 0.000 7.943) 7.943 19.666 ( 0.000 0.000 -37.102) 37.102 19.666 ( 0.000 0.000 37.102) 37.102 19.817 ( 0.000 0.000 -37.336) 37.336 19.817 ( 0.000 0.000 37.336) 37.336 19.844 ( 0.000 0.000 -9.992) 9.992 19.844 ( 0.000 0.000 9.992) 9.992 20.557 ( 0.000 0.000 -4.861) 4.861 20.557 ( 0.000 0.000 4.861) 4.861 20.592 ( 0.000 0.000 -10.109) 10.109 20.592 ( 0.000 0.000 10.109) 10.109 20.965 ( 0.000 0.000 -4.201) 4.201 20.965 ( 0.000 0.000 4.201) 4.201 21.064 ( 0.000 0.000 -2.068) 2.068 21.064 ( 0.000 0.000 2.068) 2.068 21.070 ( 0.000 0.000 -1.300) 1.300 21.070 ( 0.000 0.000 1.300) 1.300 21.149 ( 0.000 0.000 -0.651) 0.651 21.149 ( 0.000 0.000 0.651) 0.651 21.357 ( 0.000 0.000 -0.669) 0.669 21.357 ( 0.000 0.000 0.669) 0.669 21.634 ( 0.000 0.000 -1.275) 1.275 21.634 ( 0.000 0.000 1.275) 1.275 21.817 ( 0.000 0.000 -2.374) 2.374 21.817 ( 0.000 0.000 2.374) 2.374 21.941 ( 0.000 0.000 -8.898) 8.898 21.941 ( 0.000 0.000 8.898) 8.898 22.306 ( 0.000 0.000 -11.098) 11.098 22.306 ( 0.000 0.000 11.098) 11.098 22.415 ( 0.000 0.000 -11.206) 11.206 22.415 ( 0.000 0.000 11.206) 11.206 22.423 ( 0.000 0.000 -6.811) 6.811 22.423 ( 0.000 0.000 6.811) 6.811 22.500 ( 0.000 0.000 -6.164) 6.164 22.500 ( 0.000 0.000 6.164) 6.164 22.660 ( 0.000 0.000 -3.688) 3.688 22.660 ( 0.000 0.000 3.688) 3.688 22.681 ( 0.000 0.000 -5.900) 5.900 22.681 ( 0.000 0.000 5.900) 5.900 23.453 ( 0.000 0.000 -1.182) 1.182 23.453 ( 0.000 0.000 1.182) 1.182 23.805 ( 0.000 0.000 -2.221) 2.221 23.805 ( 0.000 0.000 2.221) 2.221 23.941 ( 0.000 0.000 -8.097) 8.097 23.941 ( 0.000 0.000 8.097) 8.097 24.088 ( 0.000 0.000 -5.451) 5.451 24.088 ( 0.000 0.000 5.451) 5.451 25.065 ( 0.000 0.000 -16.463) 16.463 25.065 ( 0.000 0.000 16.463) 16.463 25.183 ( 0.000 0.000 -4.646) 4.646 25.183 ( 0.000 0.000 4.646) 4.646 25.187 ( 0.000 0.000 -12.662) 12.662 25.187 ( 0.000 0.000 12.662) 12.662 25.255 ( 0.000 0.000 -3.146) 3.146 25.255 ( 0.000 0.000 3.146) 3.146 25.649 ( 0.000 0.000 -1.163) 1.163 25.649 ( 0.000 0.000 1.163) 1.163 25.736 ( 0.000 0.000 -11.719) 11.719 25.736 ( 0.000 0.000 11.719) 11.719 25.788 ( 0.000 0.000 -13.064) 13.064 25.788 ( 0.000 0.000 13.064) 13.064 25.808 ( 0.000 0.000 -2.440) 2.440 25.808 ( 0.000 0.000 2.440) 2.440 26.156 ( 0.000 0.000 -2.937) 2.937 26.156 ( 0.000 0.000 2.937) 2.937 26.244 ( 0.000 0.000 -0.679) 0.679 26.244 ( 0.000 0.000 0.679) 0.679 26.627 ( 0.000 0.000 -4.671) 4.671 26.627 ( 0.000 0.000 4.671) 4.671 26.645 ( 0.000 0.000 -5.380) 5.380 26.645 ( 0.000 0.000 5.380) 5.380 26.655 ( 0.000 0.000 -2.750) 2.750 26.655 ( 0.000 0.000 2.750) 2.750 26.690 ( 0.000 0.000 -3.016) 3.016 26.690 ( 0.000 0.000 3.016) 3.016 27.303 ( 0.000 0.000 -1.341) 1.341 27.303 ( 0.000 0.000 1.341) 1.341 27.394 ( 0.000 0.000 -0.001) 0.001 27.394 ( 0.000 0.000 0.001) 0.001 28.265 ( 0.000 0.000 -0.787) 0.787 28.265 ( 0.000 0.000 0.787) 0.787 28.381 ( 0.000 0.000 -0.238) 0.238 28.381 ( 0.000 0.000 0.238) 0.238 28.907 ( 0.000 0.000 -1.982) 1.982 28.907 ( 0.000 0.000 1.982) 1.982 28.992 ( 0.000 0.000 -0.953) 0.953 28.992 ( 0.000 0.000 0.953) 0.953 29.158 ( 0.000 0.000 -1.569) 1.569 29.158 ( 0.000 0.000 1.569) 1.569 29.220 ( 0.000 0.000 -1.122) 1.122 29.220 ( 0.000 0.000 1.122) 1.122 29.863 ( 0.000 0.000 -3.777) 3.777 29.863 ( 0.000 0.000 3.777) 3.777 29.946 ( 0.000 0.000 -3.210) 3.210 29.946 ( 0.000 0.000 3.210) 3.210 ======================= Grid point 137 (47/60) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.635 ( 3.859 0.000 -19.027) 19.415 3.635 ( 3.859 0.000 19.027) 19.415 3.794 ( -0.630 0.000 -7.291) 7.318 3.794 ( -0.630 0.000 7.291) 7.318 4.552 ( 19.766 0.000 -59.659) 62.848 4.552 ( 19.766 0.000 59.659) 62.848 4.977 ( 12.893 0.000 -43.055) 44.944 4.977 ( 12.893 0.000 43.055) 44.944 6.186 ( -10.801 0.000 -15.404) 18.814 6.186 ( -10.801 0.000 15.404) 18.814 6.228 ( -19.110 0.000 -40.221) 44.530 6.228 ( -19.110 0.000 40.221) 44.530 7.106 ( -2.043 0.000 -3.668) 4.198 7.106 ( -2.043 0.000 3.668) 4.198 7.356 ( -6.248 0.000 -40.810) 41.286 7.356 ( -6.248 0.000 40.810) 41.286 8.002 ( 12.926 0.000 -23.329) 26.671 8.002 ( 12.926 0.000 23.329) 26.671 8.746 ( 8.696 0.000 -19.644) 21.482 8.746 ( 8.696 0.000 19.644) 21.482 8.784 ( 12.415 0.000 -4.025) 13.051 8.784 ( 12.415 0.000 4.025) 13.051 9.154 ( 13.297 0.000 -19.153) 23.317 9.154 ( 13.297 0.000 19.153) 23.317 9.425 ( -0.838 0.000 -2.175) 2.331 9.425 ( -0.838 0.000 2.175) 2.331 9.624 ( 4.202 0.000 -6.437) 7.687 9.624 ( 4.202 0.000 6.437) 7.687 9.669 ( -0.334 0.000 -3.883) 3.897 9.669 ( -0.334 0.000 3.883) 3.897 10.282 ( 2.570 0.000 -20.352) 20.513 10.282 ( 2.570 0.000 20.352) 20.513 10.660 ( -33.370 0.000 -22.219) 40.091 10.660 ( -33.370 0.000 22.219) 40.091 10.903 ( -6.637 0.000 -8.564) 10.835 10.903 ( -6.637 0.000 8.564) 10.835 11.118 ( -7.798 0.000 -7.808) 11.035 11.118 ( -7.798 0.000 7.808) 11.035 11.224 ( 1.147 0.000 -43.614) 43.629 11.224 ( 1.147 0.000 43.614) 43.629 11.501 ( 3.103 0.000 -15.482) 15.790 11.501 ( 3.103 0.000 15.482) 15.790 11.829 ( -3.338 0.000 -2.396) 4.109 11.829 ( -3.338 0.000 2.396) 4.109 11.901 ( -28.660 0.000 -14.203) 31.986 11.901 ( -28.660 0.000 14.203) 31.986 12.441 ( 12.165 0.000 -3.170) 12.572 12.441 ( 12.165 0.000 3.170) 12.572 13.376 ( 9.677 0.000 -20.155) 22.358 13.376 ( 9.677 0.000 20.155) 22.358 13.576 ( 13.725 0.000 -3.474) 14.158 13.576 ( 13.725 0.000 3.474) 14.158 14.083 ( -0.614 0.000 -6.821) 6.849 14.083 ( -0.614 0.000 6.821) 6.849 14.187 ( -6.750 0.000 -15.951) 17.320 14.187 ( -6.750 0.000 15.951) 17.320 14.608 ( -0.928 0.000 -18.729) 18.752 14.608 ( -0.928 0.000 18.729) 18.752 14.973 ( 4.536 0.000 -8.196) 9.368 14.973 ( 4.536 0.000 8.196) 9.368 15.329 ( 5.863 0.000 -17.086) 18.064 15.329 ( 5.863 0.000 17.086) 18.064 15.734 ( -1.067 0.000 -16.321) 16.356 15.734 ( -1.067 0.000 16.321) 16.356 16.420 ( 8.445 0.000 -3.877) 9.293 16.420 ( 8.445 0.000 3.877) 9.293 16.918 ( -3.326 0.000 -10.975) 11.468 16.918 ( -3.326 0.000 10.975) 11.468 17.218 ( -1.903 0.000 -7.030) 7.283 17.218 ( -1.903 0.000 7.030) 7.283 17.306 ( -0.491 0.000 -4.561) 4.588 17.306 ( -0.491 0.000 4.561) 4.588 17.467 ( 0.192 0.000 -6.653) 6.656 17.467 ( 0.192 0.000 6.653) 6.656 17.578 ( -2.106 0.000 -11.870) 12.055 17.578 ( -2.106 0.000 11.870) 12.055 17.864 ( 0.993 0.000 -2.658) 2.837 17.864 ( 0.993 0.000 2.658) 2.837 17.870 ( 1.683 0.000 -19.568) 19.640 17.870 ( 1.683 0.000 19.568) 19.640 17.994 ( -1.797 0.000 -3.766) 4.173 17.994 ( -1.797 0.000 3.766) 4.173 18.167 ( -3.337 0.000 -17.457) 17.773 18.167 ( -3.337 0.000 17.457) 17.773 19.657 ( 0.547 0.000 -6.626) 6.649 19.657 ( 0.547 0.000 6.626) 6.649 19.679 ( 1.345 0.000 -35.072) 35.097 19.679 ( 1.345 0.000 35.072) 35.097 19.809 ( -0.862 0.000 -35.285) 35.296 19.809 ( -0.862 0.000 35.285) 35.296 19.840 ( -0.339 0.000 -8.266) 8.272 19.840 ( -0.339 0.000 8.266) 8.272 20.548 ( -0.812 0.000 -4.406) 4.480 20.548 ( -0.812 0.000 4.406) 4.480 20.579 ( -1.205 0.000 -8.545) 8.630 20.579 ( -1.205 0.000 8.545) 8.630 20.967 ( 0.095 0.000 -3.644) 3.645 20.967 ( 0.095 0.000 3.644) 3.645 21.064 ( 0.151 0.000 -2.504) 2.509 21.064 ( 0.151 0.000 2.504) 2.509 21.066 ( -0.403 0.000 -1.410) 1.467 21.066 ( -0.403 0.000 1.410) 1.467 21.171 ( 1.963 0.000 -0.126) 1.967 21.171 ( 1.963 0.000 0.126) 1.967 21.380 ( 2.451 0.000 -0.764) 2.568 21.380 ( 2.451 0.000 0.764) 2.568 21.608 ( -2.728 0.000 -1.331) 3.035 21.608 ( -2.728 0.000 1.331) 3.035 21.826 ( 0.845 0.000 -3.552) 3.651 21.826 ( 0.845 0.000 3.552) 3.651 21.933 ( -0.750 0.000 -8.236) 8.270 21.933 ( -0.750 0.000 8.236) 8.270 22.324 ( 1.718 0.000 -10.991) 11.124 22.324 ( 1.718 0.000 10.991) 11.124 22.413 ( -0.180 0.000 -10.952) 10.953 22.413 ( -0.180 0.000 10.952) 10.953 22.425 ( 0.188 0.000 -5.711) 5.714 22.425 ( 0.188 0.000 5.711) 5.714 22.498 ( -0.209 0.000 -5.186) 5.190 22.498 ( -0.209 0.000 5.186) 5.190 22.644 ( -1.409 0.000 -2.418) 2.799 22.644 ( -1.409 0.000 2.418) 2.799 22.685 ( 0.194 0.000 -3.336) 3.342 22.685 ( 0.194 0.000 3.336) 3.342 23.486 ( 3.572 0.000 -1.415) 3.842 23.486 ( 3.572 0.000 1.415) 3.842 23.771 ( -3.628 0.000 -2.154) 4.220 23.771 ( -3.628 0.000 2.154) 4.220 23.928 ( -1.111 0.000 -5.979) 6.082 23.928 ( -1.111 0.000 5.979) 6.082 24.100 ( 1.084 0.000 -3.933) 4.079 24.100 ( 1.084 0.000 3.933) 4.079 25.068 ( 0.310 0.000 -13.603) 13.606 25.068 ( 0.310 0.000 13.603) 13.606 25.185 ( 0.172 0.000 -3.990) 3.994 25.185 ( 0.172 0.000 3.990) 3.994 25.186 ( -0.118 0.000 -10.559) 10.560 25.186 ( -0.118 0.000 10.559) 10.560 25.250 ( -0.431 0.000 -2.778) 2.811 25.250 ( -0.431 0.000 2.778) 2.811 25.625 ( -1.909 0.000 -2.397) 3.064 25.625 ( -1.909 0.000 2.397) 3.064 25.742 ( 0.639 0.000 -11.792) 11.809 25.742 ( 0.639 0.000 11.792) 11.809 25.784 ( -0.385 0.000 -12.879) 12.885 25.784 ( -0.385 0.000 12.879) 12.885 25.843 ( 3.064 0.000 -3.277) 4.487 25.843 ( 3.064 0.000 3.277) 4.487 26.147 ( -0.924 0.000 -2.940) 3.082 26.147 ( -0.924 0.000 2.940) 3.082 26.240 ( -0.399 0.000 -1.153) 1.220 26.240 ( -0.399 0.000 1.153) 1.220 26.621 ( -0.395 0.000 -2.253) 2.287 26.621 ( -0.395 0.000 2.253) 2.287 26.653 ( 0.609 0.000 -2.755) 2.821 26.653 ( 0.609 0.000 2.755) 2.821 26.656 ( 0.160 0.000 -2.358) 2.364 26.656 ( 0.160 0.000 2.358) 2.364 26.690 ( -0.046 0.000 -2.577) 2.578 26.690 ( -0.046 0.000 2.577) 2.578 27.305 ( 0.209 0.000 -1.179) 1.198 27.305 ( 0.209 0.000 1.179) 1.198 27.390 ( -0.404 0.000 -0.174) 0.440 27.390 ( -0.404 0.000 0.174) 0.440 28.259 ( -0.496 0.000 -0.622) 0.795 28.259 ( -0.496 0.000 0.622) 0.795 28.385 ( 0.341 0.000 -0.208) 0.399 28.385 ( 0.341 0.000 0.208) 0.399 28.910 ( 0.306 0.000 -1.860) 1.885 28.910 ( 0.306 0.000 1.860) 1.885 28.986 ( -0.531 0.000 -1.256) 1.364 28.986 ( -0.531 0.000 1.256) 1.364 29.163 ( 0.566 0.000 -1.344) 1.458 29.163 ( 0.566 0.000 1.344) 1.458 29.215 ( -0.477 0.000 -1.072) 1.173 29.215 ( -0.477 0.000 1.072) 1.173 29.869 ( 0.580 0.000 -3.500) 3.548 29.869 ( 0.580 0.000 3.500) 3.548 29.941 ( -0.549 0.000 -3.043) 3.092 29.941 ( -0.549 0.000 3.043) 3.092 ======================= Grid point 139 (48/60) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.703 ( 2.882 0.000 -9.911) 10.321 3.703 ( 2.882 0.000 9.911) 10.321 3.776 ( -1.152 0.000 -6.113) 6.221 3.776 ( -1.152 0.000 6.113) 6.221 4.999 ( 24.546 0.000 -39.557) 46.554 4.999 ( 24.546 0.000 39.557) 46.554 5.316 ( 23.504 0.000 -43.586) 49.519 5.316 ( 23.504 0.000 43.586) 49.519 5.792 ( -26.676 0.000 -41.869) 49.645 5.792 ( -26.676 0.000 41.869) 49.645 5.836 ( -22.656 0.000 -26.253) 34.677 5.836 ( -22.656 0.000 26.253) 34.677 7.136 ( 5.591 0.000 -3.101) 6.393 7.136 ( 5.591 0.000 3.101) 6.393 7.259 ( -6.039 0.000 -14.861) 16.041 7.259 ( -6.039 0.000 14.861) 16.041 8.221 ( 8.070 0.000 -15.949) 17.875 8.221 ( 8.070 0.000 15.949) 17.875 9.008 ( 20.323 0.000 -12.348) 23.780 9.008 ( 20.323 0.000 12.348) 23.780 9.047 ( 14.625 0.000 -4.411) 15.276 9.047 ( 14.625 0.000 4.411) 15.276 9.261 ( -5.473 0.000 -4.478) 7.072 9.261 ( -5.473 0.000 4.478) 7.072 9.391 ( -5.332 0.000 -1.201) 5.466 9.391 ( -5.332 0.000 1.201) 5.466 9.610 ( -9.808 0.000 -15.910) 18.690 9.610 ( -9.808 0.000 15.910) 18.690 9.830 ( 17.171 0.000 -11.986) 20.941 9.830 ( 17.171 0.000 11.986) 20.941 10.054 ( -14.306 0.000 -10.925) 18.001 10.054 ( -14.306 0.000 10.925) 18.001 10.415 ( 1.132 0.000 -5.657) 5.769 10.415 ( 1.132 0.000 5.657) 5.769 10.670 ( -17.061 0.000 -8.617) 19.114 10.670 ( -17.061 0.000 8.617) 19.114 10.992 ( -4.120 0.000 -3.482) 5.394 10.992 ( -4.120 0.000 3.482) 5.394 11.268 ( 4.258 0.000 -41.542) 41.759 11.268 ( 4.258 0.000 41.542) 41.759 11.447 ( -16.607 0.000 -34.010) 37.848 11.447 ( -16.607 0.000 34.010) 37.848 11.462 ( -3.981 0.000 -7.961) 8.901 11.462 ( -3.981 0.000 7.961) 8.901 11.813 ( 0.794 0.000 -2.736) 2.848 11.813 ( 0.794 0.000 2.736) 2.848 12.610 ( 4.873 0.000 -1.294) 5.042 12.610 ( 4.873 0.000 1.294) 5.042 13.627 ( 16.680 0.000 -13.229) 21.289 13.627 ( 16.680 0.000 13.229) 21.289 13.769 ( 6.070 0.000 -2.207) 6.459 13.769 ( 6.070 0.000 2.207) 6.459 13.967 ( -15.938 0.000 -10.467) 19.068 13.967 ( -15.938 0.000 10.467) 19.068 14.068 ( -0.766 0.000 -3.455) 3.539 14.068 ( -0.766 0.000 3.455) 3.539 14.616 ( 0.899 0.000 -7.651) 7.704 14.616 ( 0.899 0.000 7.651) 7.704 15.043 ( 2.207 0.000 -3.521) 4.156 15.043 ( 2.207 0.000 3.521) 4.156 15.457 ( 6.407 0.000 -12.736) 14.257 15.457 ( 6.407 0.000 12.736) 14.257 15.693 ( -2.940 0.000 -12.476) 12.818 15.693 ( -2.940 0.000 12.476) 12.818 16.609 ( 10.843 0.000 -5.319) 12.078 16.609 ( 10.843 0.000 5.319) 12.078 16.815 ( -7.775 0.000 -7.764) 10.988 16.815 ( -7.775 0.000 7.764) 10.988 17.180 ( -1.521 0.000 -1.955) 2.477 17.180 ( -1.521 0.000 1.955) 2.477 17.301 ( -0.076 0.000 -1.019) 1.022 17.301 ( -0.076 0.000 1.019) 1.022 17.483 ( 1.545 0.000 -9.354) 9.481 17.483 ( 1.545 0.000 9.354) 9.481 17.532 ( -2.575 0.000 -11.095) 11.389 17.532 ( -2.575 0.000 11.095) 11.389 17.886 ( 1.127 0.000 -1.901) 2.210 17.886 ( 1.127 0.000 1.901) 2.210 17.907 ( 1.799 0.000 -10.810) 10.959 17.907 ( 1.799 0.000 10.810) 10.959 17.958 ( -1.662 0.000 -2.113) 2.688 17.958 ( -1.662 0.000 2.113) 2.688 18.102 ( -2.804 0.000 -10.186) 10.565 18.102 ( -2.804 0.000 10.186) 10.565 19.667 ( 0.363 0.000 -2.700) 2.725 19.667 ( 0.363 0.000 2.700) 2.725 19.706 ( 1.194 0.000 -20.712) 20.746 19.706 ( 1.194 0.000 20.712) 20.746 19.790 ( -0.898 0.000 -20.809) 20.828 19.790 ( -0.898 0.000 20.809) 20.828 19.834 ( -0.247 0.000 -3.312) 3.321 19.834 ( -0.247 0.000 3.312) 3.321 20.534 ( -0.526 0.000 -2.052) 2.118 20.534 ( -0.526 0.000 2.052) 2.118 20.559 ( -0.713 0.000 -3.556) 3.627 20.559 ( -0.713 0.000 3.556) 3.627 20.968 ( 0.019 0.000 -1.545) 1.545 20.968 ( 0.019 0.000 1.545) 1.545 21.059 ( -0.217 0.000 -0.740) 0.771 21.059 ( -0.217 0.000 0.740) 0.771 21.069 ( 0.267 0.000 -1.218) 1.247 21.069 ( 0.267 0.000 1.218) 1.247 21.202 ( 1.075 0.000 -0.184) 1.091 21.202 ( 1.075 0.000 0.184) 1.091 21.437 ( 3.244 0.000 -0.794) 3.339 21.437 ( 3.244 0.000 0.794) 3.339 21.546 ( -3.404 0.000 -1.057) 3.564 21.546 ( -3.404 0.000 1.057) 3.564 21.841 ( 0.542 0.000 -2.760) 2.813 21.841 ( 0.542 0.000 2.760) 2.813 21.919 ( -0.566 0.000 -4.316) 4.353 21.919 ( -0.566 0.000 4.316) 4.353 22.355 ( 1.177 0.000 -6.584) 6.688 22.355 ( 1.177 0.000 6.584) 6.688 22.411 ( -0.075 0.000 -6.593) 6.593 22.411 ( -0.075 0.000 6.593) 6.593 22.428 ( 0.125 0.000 -2.343) 2.346 22.428 ( 0.125 0.000 2.343) 2.346 22.494 ( -0.143 0.000 -2.142) 2.146 22.494 ( -0.143 0.000 2.142) 2.146 22.620 ( -0.893 0.000 -1.176) 1.477 22.620 ( -0.893 0.000 1.176) 1.477 22.687 ( 0.019 0.000 -1.073) 1.073 22.687 ( 0.019 0.000 1.073) 1.073 23.574 ( 5.726 0.000 -1.763) 5.991 23.574 ( 5.726 0.000 1.763) 5.991 23.683 ( -5.759 0.000 -1.997) 6.095 23.683 ( -5.759 0.000 1.997) 6.095 23.911 ( -0.554 0.000 -2.092) 2.164 23.911 ( -0.554 0.000 2.092) 2.164 24.116 ( 0.538 0.000 -1.358) 1.461 24.116 ( 0.538 0.000 1.358) 1.461 25.073 ( 0.192 0.000 -5.398) 5.401 25.073 ( 0.192 0.000 5.398) 5.401 25.184 ( -0.077 0.000 -4.254) 4.255 25.184 ( -0.077 0.000 4.254) 4.255 25.188 ( 0.122 0.000 -1.729) 1.733 25.188 ( 0.122 0.000 1.729) 1.733 25.243 ( -0.289 0.000 -1.262) 1.295 25.243 ( -0.289 0.000 1.262) 1.295 25.598 ( -0.840 0.000 -1.097) 1.381 25.598 ( -0.840 0.000 1.097) 1.381 25.756 ( 0.814 0.000 -10.840) 10.871 25.756 ( 0.814 0.000 10.840) 10.871 25.774 ( -0.658 0.000 -11.255) 11.274 25.774 ( -0.658 0.000 11.255) 11.274 25.893 ( 1.760 0.000 -1.694) 2.443 25.893 ( 1.760 0.000 1.694) 2.443 26.128 ( -0.789 0.000 -1.535) 1.726 26.128 ( -0.789 0.000 1.535) 1.726 26.233 ( -0.220 0.000 -0.623) 0.661 26.233 ( -0.220 0.000 0.623) 0.661 26.616 ( -0.132 0.000 -0.685) 0.698 26.616 ( -0.132 0.000 0.685) 0.698 26.659 ( 0.116 0.000 -1.021) 1.027 26.659 ( 0.116 0.000 1.021) 1.027 26.661 ( 0.262 0.000 -0.846) 0.886 26.661 ( 0.262 0.000 0.846) 0.886 26.689 ( -0.045 0.000 -1.107) 1.108 26.689 ( -0.045 0.000 1.107) 1.108 27.309 ( 0.166 0.000 -0.527) 0.553 27.309 ( 0.166 0.000 0.527) 0.553 27.383 ( -0.285 0.000 -0.153) 0.324 27.383 ( -0.285 0.000 0.153) 0.324 28.251 ( -0.283 0.000 -0.230) 0.365 28.251 ( -0.283 0.000 0.230) 0.365 28.390 ( 0.187 0.000 -0.087) 0.206 28.390 ( 0.187 0.000 0.087) 0.206 28.917 ( 0.307 0.000 -0.985) 1.031 28.917 ( 0.307 0.000 0.985) 1.031 28.976 ( -0.432 0.000 -0.839) 0.943 28.976 ( -0.432 0.000 0.839) 0.943 29.176 ( 0.627 0.000 -0.728) 0.960 29.176 ( 0.627 0.000 0.728) 0.960 29.205 ( -0.577 0.000 -0.679) 0.891 29.205 ( -0.577 0.000 0.679) 0.891 29.880 ( 0.518 0.000 -1.923) 1.991 29.880 ( 0.518 0.000 1.923) 1.991 29.930 ( -0.499 0.000 -1.749) 1.819 29.930 ( -0.499 0.000 1.749) 1.819 ======================= Grid point 145 (49/60) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.745 ( 0.000 10.619 -9.925) 14.535 3.745 ( 0.000 10.619 9.925) 14.535 3.859 ( 0.000 5.963 -6.829) 9.066 3.859 ( 0.000 5.963 6.829) 9.066 4.588 ( 0.000 20.963 -58.687) 62.318 4.588 ( 0.000 20.963 58.687) 62.318 5.169 ( 0.000 28.525 -43.485) 52.006 5.169 ( 0.000 28.525 43.485) 52.006 6.259 ( 0.000 6.049 -14.494) 15.705 6.259 ( 0.000 6.049 14.494) 15.705 6.813 ( 0.000 29.362 -34.556) 45.346 6.813 ( 0.000 29.362 34.556) 45.346 7.180 ( 0.000 6.344 -4.612) 7.843 7.180 ( 0.000 6.344 4.612) 7.843 7.527 ( 0.000 6.294 -52.160) 52.538 7.527 ( 0.000 6.294 52.160) 52.538 7.816 ( 0.000 -1.900 -9.302) 9.494 7.816 ( 0.000 -1.900 9.302) 9.494 8.621 ( 0.000 -2.324 -20.413) 20.545 8.621 ( 0.000 -2.324 20.413) 20.545 8.866 ( 0.000 15.967 -6.795) 17.352 8.866 ( 0.000 15.967 6.795) 17.352 9.069 ( 0.000 1.606 -20.829) 20.891 9.069 ( 0.000 1.606 20.829) 20.891 9.362 ( 0.000 -6.705 -3.036) 7.360 9.362 ( 0.000 -6.705 3.036) 7.360 9.589 ( 0.000 1.323 -3.352) 3.604 9.589 ( 0.000 1.323 3.352) 3.604 9.850 ( 0.000 14.334 -2.900) 14.625 9.850 ( 0.000 14.334 2.900) 14.625 10.152 ( 0.000 -4.083 -15.223) 15.761 10.152 ( 0.000 -4.083 15.223) 15.761 10.861 ( 0.000 -6.434 -0.941) 6.503 10.861 ( 0.000 -6.434 0.941) 6.503 11.027 ( 0.000 -10.451 -10.605) 14.889 11.027 ( 0.000 -10.451 10.605) 14.889 11.200 ( 0.000 2.925 -19.143) 19.365 11.200 ( 0.000 2.925 19.143) 19.365 11.258 ( 0.000 2.387 -1.987) 3.106 11.258 ( 0.000 2.387 1.987) 3.106 11.517 ( 0.000 11.676 -2.810) 12.009 11.517 ( 0.000 11.676 2.810) 12.009 11.901 ( 0.000 3.223 -13.808) 14.179 11.901 ( 0.000 3.223 13.808) 14.179 12.027 ( 0.000 -5.837 -9.239) 10.929 12.027 ( 0.000 -5.837 9.239) 10.929 12.530 ( 0.000 8.937 -7.851) 11.896 12.530 ( 0.000 8.937 7.851) 11.896 13.161 ( 0.000 -9.595 -17.085) 19.595 13.161 ( 0.000 -9.595 17.085) 19.595 13.468 ( 0.000 4.636 -6.261) 7.791 13.468 ( 0.000 4.636 6.261) 7.791 14.052 ( 0.000 -4.401 -9.219) 10.215 14.052 ( 0.000 -4.401 9.219) 10.215 14.255 ( 0.000 1.780 -18.822) 18.906 14.255 ( 0.000 1.780 18.822) 18.906 14.676 ( 0.000 3.740 -17.627) 18.019 14.676 ( 0.000 3.740 17.627) 18.019 14.914 ( 0.000 -0.198 -6.515) 6.518 14.914 ( 0.000 -0.198 6.515) 6.518 15.244 ( 0.000 -2.307 -17.330) 17.483 15.244 ( 0.000 -2.307 17.330) 17.483 15.667 ( 0.000 -6.451 -14.282) 15.672 15.667 ( 0.000 -6.451 14.282) 15.672 16.394 ( 0.000 5.033 -1.444) 5.236 16.394 ( 0.000 5.033 1.444) 5.236 16.951 ( 0.000 -0.241 -11.665) 11.667 16.951 ( 0.000 -0.241 11.665) 11.667 17.085 ( 0.000 -10.875 -11.681) 15.960 17.085 ( 0.000 -10.875 11.681) 15.960 17.197 ( 0.000 -8.633 -5.540) 10.258 17.197 ( 0.000 -8.633 5.540) 10.258 17.523 ( 0.000 1.841 -8.023) 8.232 17.523 ( 0.000 1.841 8.023) 8.232 17.677 ( 0.000 5.147 -7.722) 9.280 17.677 ( 0.000 5.147 7.722) 9.280 17.780 ( 0.000 -4.979 -14.814) 15.628 17.780 ( 0.000 -4.979 14.814) 15.628 17.888 ( 0.000 0.445 -5.798) 5.815 17.888 ( 0.000 0.445 5.798) 5.815 18.061 ( 0.000 2.801 -7.816) 8.303 18.061 ( 0.000 2.801 7.816) 8.303 18.140 ( 0.000 -3.131 -18.482) 18.745 18.140 ( 0.000 -3.131 18.482) 18.745 19.397 ( 0.000 -13.455 -22.343) 26.081 19.397 ( 0.000 -13.455 22.343) 26.081 19.493 ( 0.000 -13.410 -21.658) 25.473 19.493 ( 0.000 -13.410 21.658) 25.473 19.959 ( 0.000 9.862 -19.500) 21.852 19.959 ( 0.000 9.862 19.500) 21.852 20.047 ( 0.000 8.913 -13.891) 16.504 20.047 ( 0.000 8.913 13.891) 16.504 20.517 ( 0.000 -4.975 -7.147) 8.708 20.517 ( 0.000 -4.975 7.147) 8.708 20.558 ( 0.000 -2.576 -8.354) 8.742 20.558 ( 0.000 -2.576 8.354) 8.742 20.925 ( 0.000 -2.814 -2.105) 3.514 20.925 ( 0.000 -2.814 2.105) 3.514 20.980 ( 0.000 -3.087 -0.360) 3.108 20.980 ( 0.000 -3.087 0.360) 3.108 21.147 ( 0.000 3.369 -3.954) 5.195 21.147 ( 0.000 3.369 3.954) 5.195 21.201 ( 0.000 4.190 -1.842) 4.577 21.201 ( 0.000 4.190 1.842) 4.577 21.390 ( 0.000 3.513 -1.296) 3.745 21.390 ( 0.000 3.513 1.296) 3.745 21.641 ( 0.000 0.789 -0.453) 0.910 21.641 ( 0.000 0.789 0.453) 0.910 21.817 ( 0.000 0.127 -2.548) 2.551 21.817 ( 0.000 0.127 2.548) 2.551 21.935 ( 0.000 -0.571 -8.184) 8.203 21.935 ( 0.000 -0.571 8.184) 8.203 22.261 ( 0.000 -3.055 -11.647) 12.041 22.261 ( 0.000 -3.055 11.647) 12.041 22.313 ( 0.000 -5.091 -11.359) 12.448 22.313 ( 0.000 -5.091 11.359) 12.448 22.512 ( 0.000 4.020 -2.369) 4.666 22.512 ( 0.000 4.020 2.369) 4.666 22.568 ( 0.000 3.942 -6.655) 7.735 22.568 ( 0.000 3.942 6.655) 7.735 22.644 ( 0.000 -1.249 -2.283) 2.602 22.644 ( 0.000 -1.249 2.283) 2.602 22.683 ( 0.000 0.752 -4.010) 4.080 22.683 ( 0.000 0.752 4.010) 4.080 23.483 ( 0.000 2.774 -1.076) 2.976 23.483 ( 0.000 2.774 1.076) 2.976 23.786 ( 0.000 -1.411 -0.571) 1.523 23.786 ( 0.000 -1.411 0.571) 1.523 23.984 ( 0.000 3.463 -5.753) 6.715 23.984 ( 0.000 3.463 5.753) 6.715 24.086 ( 0.000 -0.071 -4.815) 4.816 24.086 ( 0.000 -0.071 4.815) 4.816 25.009 ( 0.000 -4.759 -9.504) 10.629 25.009 ( 0.000 -4.759 9.504) 10.629 25.076 ( 0.000 -5.739 -5.607) 8.023 25.076 ( 0.000 -5.739 5.607) 8.023 25.263 ( 0.000 2.483 -3.990) 4.700 25.263 ( 0.000 2.483 3.990) 4.700 25.279 ( 0.000 1.938 -1.022) 2.191 25.279 ( 0.000 1.938 1.022) 2.191 25.616 ( 0.000 -3.538 -2.891) 4.569 25.616 ( 0.000 -3.538 2.891) 4.569 25.688 ( 0.000 -4.324 -5.869) 7.289 25.688 ( 0.000 -4.324 5.869) 7.289 25.759 ( 0.000 1.854 -5.696) 5.990 25.759 ( 0.000 1.854 5.696) 5.990 25.894 ( 0.000 3.793 -6.013) 7.109 25.894 ( 0.000 3.793 6.013) 7.109 26.175 ( 0.000 1.754 -2.259) 2.860 26.175 ( 0.000 1.754 2.259) 2.860 26.246 ( 0.000 0.312 -0.874) 0.928 26.246 ( 0.000 0.312 0.874) 0.928 26.587 ( 0.000 -2.618 -1.215) 2.886 26.587 ( 0.000 -2.618 1.215) 2.886 26.595 ( 0.000 -2.394 -2.360) 3.361 26.595 ( 0.000 -2.394 2.360) 3.361 26.725 ( 0.000 3.851 -0.832) 3.940 26.725 ( 0.000 3.851 0.832) 3.940 26.739 ( 0.000 3.906 -0.921) 4.013 26.739 ( 0.000 3.906 0.921) 4.013 27.315 ( 0.000 1.105 -1.211) 1.639 27.315 ( 0.000 1.105 1.211) 1.639 27.392 ( 0.000 -0.237 -0.006) 0.237 27.392 ( 0.000 -0.237 0.006) 0.237 28.255 ( 0.000 -0.865 -0.699) 1.112 28.255 ( 0.000 -0.865 0.699) 1.112 28.358 ( 0.000 -2.199 -0.060) 2.200 28.358 ( 0.000 -2.199 0.060) 2.200 28.899 ( 0.000 -0.727 -1.904) 2.038 28.899 ( 0.000 -0.727 1.904) 2.038 28.986 ( 0.000 -0.655 -1.436) 1.578 28.986 ( 0.000 -0.655 1.436) 1.578 29.165 ( 0.000 0.831 -0.870) 1.203 29.165 ( 0.000 0.831 0.870) 1.203 29.220 ( 0.000 0.143 -1.375) 1.382 29.220 ( 0.000 0.143 1.375) 1.382 29.842 ( 0.000 -1.953 -3.483) 3.993 29.842 ( 0.000 -1.953 3.483) 3.993 29.916 ( 0.000 -2.866 -2.868) 4.055 29.916 ( 0.000 -2.866 2.868) 4.055 ======================= Grid point 147 (50/60) ======================= q-point: ( 0.20 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.764 ( 1.636 9.140 -8.669) 12.703 3.764 ( 1.636 9.140 8.669) 12.703 3.861 ( 0.244 6.506 -6.233) 9.013 3.861 ( 0.244 6.506 6.233) 9.013 4.733 ( 15.676 17.378 -54.267) 59.099 4.733 ( 15.676 17.378 54.267) 59.099 5.288 ( 12.677 27.869 -43.645) 53.313 5.288 ( 12.677 27.869 43.645) 53.313 6.188 ( -9.676 7.637 -12.934) 17.868 6.188 ( -9.676 7.637 12.934) 17.868 6.599 ( -22.396 25.287 -26.593) 42.991 6.599 ( -22.396 25.287 26.593) 42.991 7.152 ( -1.838 5.678 -1.972) 6.285 7.152 ( -1.838 5.678 1.972) 6.285 7.403 ( -6.091 5.437 -33.914) 34.883 7.403 ( -6.091 5.437 33.914) 34.883 8.020 ( 15.637 2.712 -27.361) 31.631 8.020 ( 15.637 2.712 27.361) 31.631 8.679 ( 7.424 -3.895 -14.908) 17.104 8.679 ( 7.424 -3.895 14.908) 17.104 8.989 ( 11.912 15.293 -4.473) 19.895 8.989 ( 11.912 15.293 4.473) 19.895 9.199 ( 11.006 -0.488 -15.638) 19.129 9.199 ( 11.006 -0.488 15.638) 19.129 9.388 ( 3.504 -4.459 -1.343) 5.827 9.388 ( 3.504 -4.459 1.343) 5.827 9.645 ( 4.241 1.595 -3.395) 5.662 9.645 ( 4.241 1.595 3.395) 5.662 9.807 ( -2.272 14.663 -5.145) 15.705 9.807 ( -2.272 14.663 5.145) 15.705 10.181 ( 0.913 -6.763 -15.976) 17.373 10.181 ( 0.913 -6.763 15.976) 17.373 10.595 ( -27.414 0.222 -12.431) 30.102 10.595 ( -27.414 0.222 12.431) 30.102 10.957 ( -7.398 -11.787 -6.846) 15.509 10.957 ( -7.398 -11.787 6.846) 15.509 11.059 ( -6.362 8.762 -5.768) 12.268 11.059 ( -6.362 8.762 5.768) 12.268 11.278 ( 0.796 2.953 -19.099) 19.342 11.278 ( 0.796 2.953 19.099) 19.342 11.566 ( -1.574 4.455 -16.784) 17.436 11.566 ( -1.574 4.455 16.784) 17.436 11.743 ( -8.048 1.931 -13.783) 16.077 11.743 ( -8.048 1.931 13.783) 16.077 12.073 ( -7.124 8.277 -5.006) 12.013 12.073 ( -7.124 8.277 5.006) 12.013 12.473 ( 2.437 2.752 -3.418) 5.020 12.473 ( 2.437 2.752 3.418) 5.020 13.214 ( 7.232 -13.141 -13.397) 20.112 13.214 ( 7.232 -13.141 13.397) 20.112 13.636 ( 12.425 3.459 -2.407) 13.121 13.636 ( 12.425 3.459 2.407) 13.121 14.019 ( -4.087 -5.476 -8.021) 10.537 14.019 ( -4.087 -5.476 8.021) 10.537 14.221 ( -3.952 1.763 -12.912) 13.618 14.221 ( -3.952 1.763 12.912) 13.618 14.680 ( 1.147 6.335 -16.210) 17.442 14.680 ( 1.147 6.335 16.210) 17.442 14.954 ( 4.078 -1.401 -7.551) 8.696 14.954 ( 4.078 -1.401 7.551) 8.696 15.296 ( 5.263 -2.599 -16.058) 17.097 15.296 ( 5.263 -2.599 16.058) 17.097 15.660 ( -0.881 -6.470 -14.597) 15.991 15.660 ( -0.881 -6.470 14.597) 15.991 16.463 ( 7.123 3.814 -2.869) 8.574 16.463 ( 7.123 3.814 2.869) 8.574 16.924 ( -3.439 0.044 -10.176) 10.741 16.924 ( -3.439 0.044 10.176) 10.741 17.068 ( -1.607 -11.274 -9.524) 14.845 17.068 ( -1.607 -11.274 9.524) 14.845 17.183 ( -1.163 -8.861 -4.867) 10.176 17.183 ( -1.163 -8.861 4.867) 10.176 17.536 ( 1.338 3.222 -7.571) 8.336 17.536 ( 1.338 3.222 7.571) 8.336 17.659 ( -1.863 5.144 -7.522) 9.301 17.659 ( -1.863 5.144 7.522) 9.301 17.790 ( 1.182 -5.752 -14.605) 15.741 17.790 ( 1.182 -5.752 14.605) 15.741 17.894 ( 0.589 -0.239 -5.401) 5.439 17.894 ( 0.589 -0.239 5.401) 5.439 18.035 ( -2.690 2.052 -4.738) 5.822 18.035 ( -2.690 2.052 4.738) 5.822 18.121 ( -1.720 -1.195 -13.781) 13.939 18.121 ( -1.720 -1.195 13.781) 13.939 19.408 ( 1.210 -13.573 -21.887) 25.782 19.408 ( 1.210 -13.573 21.887) 25.782 19.487 ( -0.646 -13.310 -21.317) 25.139 19.487 ( -0.646 -13.310 21.317) 25.139 19.947 ( -0.928 8.447 -12.613) 15.209 19.947 ( -0.928 8.447 12.613) 15.209 20.060 ( 1.037 10.195 -8.099) 13.062 20.060 ( 1.037 10.195 8.099) 13.062 20.509 ( -0.804 -4.372 -5.942) 7.421 20.509 ( -0.804 -4.372 5.942) 7.421 20.551 ( -0.723 -2.611 -6.859) 7.374 20.551 ( -0.723 -2.611 6.859) 7.374 20.928 ( 0.268 -2.813 -2.013) 3.469 20.928 ( 0.268 -2.813 2.013) 3.469 20.982 ( 0.136 -2.796 -1.143) 3.024 20.982 ( 0.136 -2.796 1.143) 3.024 21.147 ( 0.016 3.444 -3.051) 4.601 21.147 ( 0.016 3.444 3.051) 4.601 21.206 ( 0.550 3.079 -1.381) 3.419 21.206 ( 0.550 3.079 1.381) 3.419 21.413 ( 2.357 3.384 -1.049) 4.255 21.413 ( 2.357 3.384 1.049) 4.255 21.618 ( -2.429 1.021 -0.445) 2.673 21.618 ( -2.429 1.021 0.445) 2.673 21.824 ( 0.592 -0.114 -3.537) 3.588 21.824 ( 0.592 -0.114 3.537) 3.588 21.931 ( -0.397 -0.182 -7.538) 7.551 21.931 ( -0.397 -0.182 7.538) 7.551 22.268 ( 0.589 -3.514 -10.007) 10.622 22.268 ( 0.589 -3.514 10.007) 10.622 22.315 ( 0.273 -5.139 -9.749) 11.024 22.315 ( 0.273 -5.139 9.749) 11.024 22.512 ( -0.036 3.867 -2.070) 4.386 22.512 ( -0.036 3.867 2.070) 4.386 22.570 ( 0.300 4.050 -6.175) 7.391 22.570 ( 0.300 4.050 6.175) 7.391 22.641 ( -0.329 -0.062 -4.089) 4.103 22.641 ( -0.329 -0.062 4.089) 4.103 22.679 ( -0.353 0.230 -3.332) 3.358 22.679 ( -0.353 0.230 3.332) 3.358 23.513 ( 3.235 2.471 -1.271) 4.265 23.513 ( 3.235 2.471 1.271) 4.265 23.759 ( -2.828 -0.876 -1.018) 3.131 23.759 ( -2.828 -0.876 1.018) 3.131 23.961 ( -1.848 2.831 -4.008) 5.244 23.961 ( -1.848 2.831 4.008) 5.244 24.103 ( 1.385 0.350 -3.150) 3.459 24.103 ( 1.385 0.350 3.150) 3.459 25.015 ( 0.654 -4.622 -8.745) 9.913 25.015 ( 0.654 -4.622 8.745) 9.913 25.071 ( -0.468 -5.840 -5.715) 8.184 25.071 ( -0.468 -5.840 5.715) 8.184 25.259 ( -0.406 1.630 -2.474) 2.990 25.259 ( -0.406 1.630 2.474) 2.990 25.280 ( 0.117 2.746 -1.175) 2.989 25.280 ( 0.117 2.746 1.175) 2.989 25.597 ( -1.556 -2.862 -2.483) 4.096 25.597 ( -1.556 -2.862 2.483) 4.096 25.696 ( 0.602 -4.381 -3.737) 5.790 25.696 ( 0.602 -4.381 3.737) 5.790 25.772 ( 1.094 1.577 -3.088) 3.636 25.772 ( 1.094 1.577 3.088) 3.636 25.903 ( 0.928 3.146 -4.902) 5.898 25.903 ( 0.928 3.146 4.902) 5.898 26.166 ( -0.877 1.772 -2.233) 2.982 26.166 ( -0.877 1.772 2.233) 2.982 26.245 ( -0.126 0.554 -1.077) 1.218 26.245 ( -0.126 0.554 1.077) 1.218 26.580 ( -0.436 -2.463 -0.263) 2.515 26.580 ( -0.436 -2.463 0.263) 2.515 26.604 ( 0.623 -2.598 -1.174) 2.918 26.604 ( 0.623 -2.598 1.174) 2.918 26.723 ( -0.172 3.951 -0.860) 4.047 26.723 ( -0.172 3.951 0.860) 4.047 26.742 ( 0.274 3.827 -0.665) 3.894 26.742 ( 0.274 3.827 0.665) 3.894 27.316 ( 0.150 1.040 -1.057) 1.491 27.316 ( 0.150 1.040 1.057) 1.491 27.389 ( -0.312 -0.141 -0.148) 0.373 27.389 ( -0.312 -0.141 0.148) 0.373 28.250 ( -0.512 -0.883 -0.549) 1.159 28.250 ( -0.512 -0.883 0.549) 1.159 28.362 ( 0.378 -2.160 -0.084) 2.194 28.362 ( 0.378 -2.160 0.084) 2.194 28.903 ( 0.401 -0.651 -1.841) 1.994 28.903 ( 0.401 -0.651 1.841) 1.994 28.979 ( -0.660 -0.761 -1.580) 1.874 28.979 ( -0.660 -0.761 1.580) 1.874 29.171 ( 0.561 0.822 -0.839) 1.301 29.171 ( 0.561 0.822 0.839) 1.301 29.217 ( -0.406 0.207 -1.293) 1.371 29.217 ( -0.406 0.207 1.293) 1.371 29.847 ( 0.468 -2.054 -3.188) 3.822 29.847 ( 0.468 -2.054 3.188) 3.822 29.912 ( -0.437 -2.762 -2.694) 3.883 29.912 ( -0.437 -2.762 2.694) 3.883 ======================= Grid point 149 (51/60) ======================= q-point: ( 0.40 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.787 ( 0.669 6.496 -3.391) 7.359 3.787 ( 0.669 6.496 3.391) 7.359 3.867 ( 0.320 7.762 -2.572) 8.184 3.867 ( 0.320 7.762 2.572) 8.184 5.114 ( 22.262 11.651 -36.854) 44.604 5.114 ( 22.262 11.651 36.854) 44.604 5.587 ( 16.521 21.571 -34.350) 43.797 5.587 ( 16.521 21.571 34.350) 43.797 5.891 ( -17.601 12.954 -4.068) 22.229 5.891 ( -17.601 12.954 4.068) 22.229 6.125 ( -25.163 24.230 -25.360) 43.167 6.125 ( -25.163 24.230 25.360) 43.167 7.174 ( 3.817 2.285 -2.676) 5.192 7.174 ( 3.817 2.285 2.676) 5.192 7.312 ( -4.772 7.506 -10.946) 14.104 7.312 ( -4.772 7.506 10.946) 14.104 8.265 ( 8.101 4.478 -14.706) 17.377 8.265 ( 8.101 4.478 14.706) 17.377 8.919 ( 17.122 -4.033 -12.373) 21.506 8.919 ( 17.122 -4.033 12.373) 21.506 9.226 ( 11.409 7.112 -4.483) 14.172 9.226 ( 11.409 7.112 4.483) 14.172 9.339 ( 6.136 3.697 -3.143) 7.823 9.339 ( 6.136 3.697 3.143) 7.823 9.453 ( -3.795 -0.418 -6.641) 7.661 9.453 ( -3.795 -0.418 6.641) 7.661 9.611 ( -7.848 7.141 -11.986) 16.008 9.611 ( -7.848 7.141 11.986) 16.008 9.847 ( 2.722 4.193 -3.228) 5.950 9.847 ( 2.722 4.193 3.228) 5.950 10.026 ( -14.507 -1.465 -10.744) 18.112 10.026 ( -14.507 -1.465 10.744) 18.112 10.307 ( 6.590 -2.973 -6.478) 9.707 10.307 ( 6.590 -2.973 6.478) 9.707 10.674 ( -20.834 -2.884 -2.865) 21.227 10.674 ( -20.834 -2.884 2.865) 21.227 11.057 ( 3.066 8.055 -11.837) 14.642 11.057 ( 3.066 8.055 11.837) 14.642 11.315 ( 3.930 3.993 -27.219) 27.790 11.315 ( 3.930 3.993 27.219) 27.790 11.473 ( -3.626 4.952 -20.189) 21.101 11.473 ( -3.626 4.952 20.189) 21.101 11.595 ( -11.045 9.424 -0.775) 14.540 11.595 ( -11.045 9.424 0.775) 14.540 11.925 ( -2.992 9.983 -2.593) 10.739 11.925 ( -2.992 9.983 2.593) 10.739 12.571 ( 3.855 -3.832 -0.982) 5.523 12.571 ( 3.855 -3.832 0.982) 5.523 13.414 ( 12.497 -17.556 -5.757) 22.306 13.414 ( 12.497 -17.556 5.757) 22.306 13.748 ( -3.995 -5.785 -2.273) 7.388 13.748 ( -3.995 -5.785 2.273) 7.388 13.930 ( -1.475 2.317 -2.041) 3.422 13.930 ( -1.475 2.317 2.041) 3.422 14.152 ( -2.389 2.524 -2.916) 4.536 14.152 ( -2.389 2.524 2.916) 4.536 14.709 ( 1.189 8.681 -6.799) 11.091 14.709 ( 1.189 8.681 6.799) 11.091 15.025 ( 2.494 -1.942 -3.398) 4.641 15.025 ( 2.494 -1.942 3.398) 4.641 15.408 ( 5.538 -3.823 -11.361) 13.204 15.408 ( 5.538 -3.823 11.361) 13.204 15.628 ( -2.354 -6.082 -10.876) 12.681 15.628 ( -2.354 -6.082 10.876) 12.681 16.624 ( 9.406 1.080 -4.478) 10.473 16.624 ( 9.406 1.080 4.478) 10.473 16.816 ( -7.811 -0.490 -6.713) 10.311 16.816 ( -7.811 -0.490 6.713) 10.311 17.044 ( -0.723 -10.139 -3.916) 10.893 17.044 ( -0.723 -10.139 3.916) 10.893 17.166 ( -0.497 -9.307 -2.349) 9.611 17.166 ( -0.497 -9.307 2.349) 9.611 17.566 ( 1.598 5.196 -6.070) 8.148 17.566 ( 1.598 5.196 6.070) 8.148 17.620 ( -1.941 5.305 -6.214) 8.398 17.620 ( -1.941 5.305 6.214) 8.398 17.818 ( 1.443 -7.081 -8.959) 11.510 17.818 ( 1.443 -7.081 8.959) 11.510 17.906 ( 0.478 -3.982 -3.825) 5.543 17.906 ( 0.478 -3.982 3.825) 5.543 17.980 ( -2.470 3.776 -2.824) 5.323 17.980 ( -2.470 3.776 2.824) 5.323 18.092 ( -1.063 1.678 -4.502) 4.920 18.092 ( -1.063 1.678 4.502) 4.920 19.434 ( 1.369 -14.118 -17.728) 22.704 19.434 ( 1.369 -14.118 17.728) 22.704 19.471 ( -1.030 -12.790 -17.501) 21.701 19.471 ( -1.030 -12.790 17.501) 21.701 19.934 ( -0.403 6.969 -3.914) 8.003 19.934 ( -0.403 6.969 3.914) 8.003 20.074 ( 0.431 11.344 -2.201) 11.564 20.074 ( 0.431 11.344 2.201) 11.564 20.495 ( -0.475 -3.391 -2.399) 4.181 20.495 ( -0.475 -3.391 2.399) 4.181 20.538 ( -0.449 -2.558 -2.689) 3.738 20.538 ( -0.449 -2.558 2.689) 3.738 20.932 ( 0.097 -2.953 -0.958) 3.106 20.932 ( 0.097 -2.953 0.958) 3.106 20.985 ( 0.138 -2.222 -0.784) 2.360 20.985 ( 0.138 -2.222 0.784) 2.360 21.147 ( 0.038 3.450 -1.081) 3.615 21.147 ( 0.038 3.450 1.081) 3.615 21.217 ( 0.464 1.596 -0.489) 1.732 21.217 ( 0.464 1.596 0.489) 1.732 21.464 ( 2.678 2.603 -0.706) 3.801 21.464 ( 2.678 2.603 0.706) 3.801 21.564 ( -2.839 1.708 -0.541) 3.357 21.564 ( -2.839 1.708 0.541) 3.357 21.834 ( 0.410 -0.394 -2.416) 2.482 21.834 ( 0.410 -0.394 2.416) 2.482 21.924 ( -0.323 0.456 -3.731) 3.772 21.924 ( -0.323 0.456 3.731) 3.772 22.276 ( 0.216 -4.301 -3.683) 5.667 22.276 ( 0.216 -4.301 3.683) 5.667 22.322 ( 0.302 -5.204 -3.629) 6.352 22.322 ( 0.302 -5.204 3.629) 6.352 22.510 ( -0.107 3.298 -0.798) 3.395 22.510 ( -0.107 3.298 0.798) 3.395 22.580 ( 0.572 4.743 -3.373) 5.848 22.580 ( 0.572 4.743 3.373) 5.848 22.632 ( -0.527 1.873 -3.338) 3.864 22.632 ( -0.527 1.873 3.338) 3.864 22.674 ( -0.169 -0.822 -1.346) 1.586 22.674 ( -0.169 -0.822 1.346) 1.586 23.592 ( 5.121 1.624 -1.520) 5.583 23.592 ( 5.121 1.624 1.520) 5.583 23.687 ( -4.921 0.379 -1.491) 5.156 23.687 ( -4.921 0.379 1.491) 5.156 23.934 ( -0.854 2.215 -1.451) 2.782 23.934 ( -0.854 2.215 1.451) 2.782 24.123 ( 0.622 0.592 -1.061) 1.365 24.123 ( 0.622 0.592 1.061) 1.365 25.029 ( 0.669 -4.029 -5.347) 6.728 25.029 ( 0.669 -4.029 5.347) 6.728 25.061 ( -0.554 -6.368 -4.259) 7.681 25.061 ( -0.554 -6.368 4.259) 7.681 25.252 ( -0.257 0.819 -0.699) 1.107 25.252 ( -0.257 0.819 0.699) 1.107 25.282 ( 0.057 3.468 -0.641) 3.528 25.282 ( 0.057 3.468 0.641) 3.528 25.574 ( -0.699 -2.265 -0.959) 2.557 25.574 ( -0.699 -2.265 0.959) 2.557 25.704 ( 0.273 -4.417 -1.273) 4.605 25.704 ( 0.273 -4.417 1.273) 4.605 25.787 ( 0.480 1.788 -0.584) 1.941 25.787 ( 0.480 1.788 0.584) 1.941 25.921 ( 0.709 1.751 -1.928) 2.699 25.921 ( 0.709 1.751 1.928) 2.699 26.150 ( -0.634 1.983 -1.087) 2.348 26.150 ( -0.634 1.983 1.087) 2.348 26.243 ( -0.068 0.898 -0.513) 1.037 26.243 ( -0.068 0.898 0.513) 1.037 26.574 ( -0.147 -2.415 -0.091) 2.421 26.574 ( -0.147 -2.415 0.091) 2.421 26.613 ( 0.270 -2.751 -0.460) 2.802 26.613 ( 0.270 -2.751 0.460) 2.802 26.720 ( -0.088 4.090 -0.402) 4.110 26.720 ( -0.088 4.090 0.402) 4.110 26.747 ( 0.142 3.747 -0.228) 3.757 26.747 ( 0.142 3.747 0.228) 3.757 27.319 ( 0.118 0.913 -0.465) 1.031 27.319 ( 0.118 0.913 0.465) 1.031 27.383 ( -0.217 0.034 -0.125) 0.253 27.383 ( -0.217 0.034 0.125) 0.253 28.241 ( -0.287 -0.898 -0.202) 0.964 28.241 ( -0.287 -0.898 0.202) 0.964 28.368 ( 0.204 -2.113 -0.044) 2.123 28.368 ( 0.204 -2.113 0.044) 2.123 28.912 ( 0.402 -0.480 -1.060) 1.231 28.912 ( 0.402 -0.480 1.060) 1.231 28.966 ( -0.549 -0.983 -1.011) 1.513 28.966 ( -0.549 -0.983 1.011) 1.513 29.183 ( 0.604 0.776 -0.623) 1.164 29.183 ( 0.604 0.776 0.623) 1.164 29.207 ( -0.516 0.340 -0.827) 1.033 29.207 ( -0.516 0.340 0.827) 1.033 29.856 ( 0.396 -2.284 -1.660) 2.851 29.856 ( 0.396 -2.284 1.660) 2.851 29.903 ( -0.376 -2.528 -1.472) 2.949 29.903 ( -0.376 -2.528 1.472) 2.949 ======================= Grid point 155 (52/60) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.913 ( 0.000 6.455 -1.128) 6.553 3.913 ( 0.000 6.455 1.128) 6.553 4.019 ( 0.000 7.411 -2.512) 7.825 4.019 ( 0.000 7.411 2.512) 7.825 5.147 ( 0.000 31.286 -45.413) 55.147 5.147 ( 0.000 31.286 45.413) 55.147 5.839 ( 0.000 30.346 -36.429) 47.413 5.839 ( 0.000 30.346 36.429) 47.413 6.552 ( 0.000 21.652 -7.216) 22.823 6.552 ( 0.000 21.652 7.216) 22.823 7.125 ( 0.000 4.468 -2.530) 5.135 7.125 ( 0.000 4.468 2.530) 5.135 7.628 ( 0.000 12.563 -7.098) 14.429 7.628 ( 0.000 12.563 7.098) 14.429 7.793 ( 0.000 28.772 -23.811) 37.347 7.793 ( 0.000 28.772 23.811) 37.347 7.854 ( 0.000 13.935 -33.876) 36.630 7.854 ( 0.000 13.935 33.876) 36.630 8.574 ( 0.000 -1.282 -15.822) 15.874 8.574 ( 0.000 -1.282 15.822) 15.874 8.968 ( 0.000 -8.186 -18.962) 20.654 8.968 ( 0.000 -8.186 18.962) 20.654 9.169 ( 0.000 -2.982 -1.149) 3.195 9.169 ( 0.000 -2.982 1.149) 3.195 9.274 ( 0.000 12.094 -0.794) 12.120 9.274 ( 0.000 12.094 0.794) 12.120 9.598 ( 0.000 -1.912 -2.860) 3.440 9.598 ( 0.000 -1.912 2.860) 3.440 9.800 ( 0.000 -11.111 -10.992) 15.629 9.800 ( 0.000 -11.111 10.992) 15.629 10.547 ( 0.000 25.619 -5.610) 26.227 10.547 ( 0.000 25.619 5.610) 26.227 10.621 ( 0.000 -11.677 -4.463) 12.500 10.621 ( 0.000 -11.677 4.463) 12.500 10.899 ( 0.000 -0.773 -5.979) 6.029 10.899 ( 0.000 -0.773 5.979) 6.029 11.282 ( 0.000 5.839 -6.611) 8.821 11.282 ( 0.000 5.839 6.611) 8.821 11.314 ( 0.000 2.371 -1.016) 2.580 11.314 ( 0.000 2.371 1.016) 2.580 11.687 ( 0.000 3.751 -6.454) 7.465 11.687 ( 0.000 3.751 6.454) 7.465 12.020 ( 0.000 10.052 -15.056) 18.103 12.020 ( 0.000 10.052 15.056) 18.103 12.150 ( 0.000 17.758 -2.085) 17.880 12.150 ( 0.000 17.758 2.085) 17.880 12.587 ( 0.000 -2.871 -8.526) 8.997 12.587 ( 0.000 -2.871 8.526) 8.997 12.928 ( 0.000 -12.896 -15.069) 19.834 12.928 ( 0.000 -12.896 15.069) 19.834 13.551 ( 0.000 1.939 -4.997) 5.360 13.551 ( 0.000 1.939 4.997) 5.360 13.883 ( 0.000 -11.895 -9.655) 15.320 13.883 ( 0.000 -11.895 9.655) 15.320 14.293 ( 0.000 1.409 -16.133) 16.195 14.293 ( 0.000 1.409 16.133) 16.195 14.711 ( 0.000 -1.383 -3.865) 4.105 14.711 ( 0.000 -1.383 3.865) 4.105 14.969 ( 0.000 5.131 -3.596) 6.266 14.969 ( 0.000 5.131 3.596) 6.266 15.208 ( 0.000 -0.021 -17.444) 17.444 15.208 ( 0.000 -0.021 17.444) 17.444 15.529 ( 0.000 -5.253 -12.939) 13.965 15.529 ( 0.000 -5.253 12.939) 13.965 16.518 ( 0.000 6.058 -1.155) 6.168 16.518 ( 0.000 6.058 1.155) 6.168 16.823 ( 0.000 -10.345 -13.017) 16.628 16.823 ( 0.000 -10.345 13.017) 16.628 16.937 ( 0.000 -5.260 -7.911) 9.500 16.937 ( 0.000 -5.260 7.911) 9.500 17.045 ( 0.000 -4.571 -3.393) 5.693 17.045 ( 0.000 -4.571 3.393) 5.693 17.430 ( 0.000 -11.033 -18.171) 21.258 17.430 ( 0.000 -11.033 18.171) 21.258 17.691 ( 0.000 -8.379 -12.190) 14.792 17.691 ( 0.000 -8.379 12.190) 14.792 17.735 ( 0.000 -6.759 -10.929) 12.850 17.735 ( 0.000 -6.759 10.929) 12.850 17.801 ( 0.000 4.371 -3.976) 5.909 17.801 ( 0.000 4.371 3.976) 5.909 18.120 ( 0.000 4.943 -7.735) 9.180 18.120 ( 0.000 4.943 7.735) 9.180 18.189 ( 0.000 4.416 -7.385) 8.605 18.189 ( 0.000 4.416 7.385) 8.605 19.148 ( 0.000 -10.222 -15.678) 18.716 19.148 ( 0.000 -10.222 15.678) 18.716 19.237 ( 0.000 -11.049 -16.819) 20.124 19.237 ( 0.000 -11.049 16.819) 20.124 20.107 ( 0.000 3.990 -6.281) 7.441 20.107 ( 0.000 3.990 6.281) 7.441 20.173 ( 0.000 3.992 -5.218) 6.570 20.173 ( 0.000 3.992 5.218) 6.570 20.379 ( 0.000 -7.508 -7.124) 10.350 20.379 ( 0.000 -7.508 7.124) 10.350 20.466 ( 0.000 -6.030 -4.757) 7.681 20.466 ( 0.000 -6.030 4.757) 7.681 20.848 ( 0.000 -4.401 -1.681) 4.711 20.848 ( 0.000 -4.401 1.681) 4.711 20.954 ( 0.000 -0.733 -2.020) 2.149 20.954 ( 0.000 -0.733 2.020) 2.149 21.267 ( 0.000 9.472 -9.239) 13.231 21.267 ( 0.000 9.472 9.239) 13.231 21.306 ( 0.000 6.122 -6.380) 8.842 21.306 ( 0.000 6.122 6.380) 8.842 21.491 ( 0.000 5.684 -1.728) 5.940 21.491 ( 0.000 5.684 1.728) 5.940 21.659 ( 0.000 0.516 -1.055) 1.175 21.659 ( 0.000 0.516 1.055) 1.175 21.831 ( 0.000 1.291 -2.923) 3.195 21.831 ( 0.000 1.291 2.923) 3.195 21.914 ( 0.000 -1.623 -6.410) 6.612 21.914 ( 0.000 -1.623 6.410) 6.612 22.209 ( 0.000 -2.441 -13.792) 14.006 22.209 ( 0.000 -2.441 13.792) 14.006 22.216 ( 0.000 -3.595 -10.251) 10.863 22.216 ( 0.000 -3.595 10.251) 10.863 22.533 ( 0.000 -2.226 -4.623) 5.131 22.533 ( 0.000 -2.226 4.623) 5.131 22.587 ( 0.000 -1.956 -2.975) 3.560 22.587 ( 0.000 -1.956 2.975) 3.560 22.659 ( 0.000 3.200 -6.095) 6.884 22.659 ( 0.000 3.200 6.095) 6.884 22.743 ( 0.000 4.376 -1.857) 4.754 22.743 ( 0.000 4.376 1.857) 4.754 23.554 ( 0.000 3.782 -0.577) 3.826 23.554 ( 0.000 3.782 0.577) 3.826 23.759 ( 0.000 -1.074 -0.015) 1.074 23.759 ( 0.000 -1.074 0.015) 1.074 24.054 ( 0.000 2.556 -2.515) 3.586 24.054 ( 0.000 2.556 2.515) 3.586 24.093 ( 0.000 1.331 -4.161) 4.369 24.093 ( 0.000 1.331 4.161) 4.369 24.897 ( 0.000 -5.613 -2.364) 6.091 24.897 ( 0.000 -5.613 2.364) 6.091 24.954 ( 0.000 -5.926 -6.177) 8.560 24.954 ( 0.000 -5.926 6.177) 8.560 25.301 ( 0.000 1.606 -3.551) 3.897 25.301 ( 0.000 1.606 3.551) 3.897 25.308 ( 0.000 0.548 -4.727) 4.759 25.308 ( 0.000 0.548 4.727) 4.759 25.528 ( 0.000 -4.110 -2.225) 4.673 25.528 ( 0.000 -4.110 2.225) 4.673 25.602 ( 0.000 -4.152 -2.321) 4.756 25.602 ( 0.000 -4.152 2.321) 4.756 25.820 ( 0.000 3.633 -2.680) 4.515 25.820 ( 0.000 3.633 2.680) 4.515 25.948 ( 0.000 1.498 -5.647) 5.842 25.948 ( 0.000 1.498 5.647) 5.842 26.219 ( 0.000 2.312 -1.251) 2.629 26.219 ( 0.000 2.312 1.251) 2.629 26.261 ( 0.000 1.150 -1.174) 1.644 26.261 ( 0.000 1.150 1.174) 1.644 26.533 ( 0.000 -2.872 -1.410) 3.200 26.533 ( 0.000 -2.872 1.410) 3.200 26.547 ( 0.000 -2.017 -0.244) 2.032 26.547 ( 0.000 -2.017 0.244) 2.032 26.808 ( 0.000 4.044 -0.553) 4.081 26.808 ( 0.000 4.044 0.553) 4.081 26.830 ( 0.000 4.695 -0.180) 4.699 26.830 ( 0.000 4.695 0.180) 4.699 27.345 ( 0.000 1.690 -0.814) 1.876 27.345 ( 0.000 1.690 0.814) 1.876 27.383 ( 0.000 -0.690 -0.037) 0.691 27.383 ( 0.000 -0.690 0.037) 0.691 28.231 ( 0.000 -1.384 -0.356) 1.429 28.231 ( 0.000 -1.384 0.356) 1.429 28.298 ( 0.000 -3.340 -0.390) 3.363 28.298 ( 0.000 -3.340 0.390) 3.363 28.880 ( 0.000 -1.023 -1.559) 1.865 28.880 ( 0.000 -1.023 1.559) 1.865 28.964 ( 0.000 -1.381 -1.883) 2.335 28.964 ( 0.000 -1.381 1.883) 2.335 29.197 ( 0.000 2.300 -0.322) 2.323 29.197 ( 0.000 2.300 0.322) 2.323 29.231 ( 0.000 0.967 -1.429) 1.725 29.231 ( 0.000 0.967 1.429) 1.725 29.787 ( 0.000 -3.203 -2.669) 4.169 29.787 ( 0.000 -3.203 2.669) 4.169 29.835 ( 0.000 -4.758 -2.001) 5.161 29.835 ( 0.000 -4.758 2.001) 5.161 ======================= Grid point 157 (53/60) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.918 ( 0.434 6.349 -1.388) 6.514 3.918 ( 0.434 6.349 1.388) 6.514 4.022 ( 0.259 7.157 -2.521) 7.593 4.022 ( 0.259 7.157 2.521) 7.593 5.218 ( 8.478 28.012 -42.868) 51.906 5.218 ( 8.478 28.012 42.868) 51.906 5.908 ( 6.750 26.778 -31.302) 41.742 5.908 ( 6.750 26.778 31.302) 41.742 6.524 ( -5.576 23.905 -6.709) 25.447 6.524 ( -5.576 23.905 6.709) 25.447 6.926 ( -18.169 4.938 -0.267) 18.830 6.926 ( -18.169 4.938 0.267) 18.830 7.403 ( -13.359 10.856 -3.353) 17.538 7.403 ( -13.359 10.856 3.353) 17.538 7.718 ( -5.533 30.114 -11.770) 32.802 7.718 ( -5.533 30.114 11.770) 32.802 8.153 ( 19.741 10.601 -28.270) 36.073 8.153 ( 19.741 10.601 28.270) 36.073 8.599 ( 5.283 -2.853 -11.767) 13.210 8.599 ( 5.283 -2.853 11.767) 13.210 9.062 ( 7.208 -7.908 -11.867) 15.979 9.062 ( 7.208 -7.908 11.867) 15.979 9.219 ( 5.684 -4.991 -0.911) 7.619 9.219 ( 5.684 -4.991 0.911) 7.619 9.394 ( 9.767 12.287 -9.723) 18.463 9.394 ( 9.767 12.287 9.723) 18.463 9.562 ( -3.645 -8.490 -12.033) 15.172 9.562 ( -3.645 -8.490 12.033) 15.172 9.884 ( 10.012 -3.894 -6.065) 12.337 9.884 ( 10.012 -3.894 6.065) 12.337 10.408 ( -11.603 13.253 -0.542) 17.623 10.408 ( -11.603 13.253 0.542) 17.623 10.720 ( 2.951 8.588 -2.231) 9.351 10.720 ( 2.951 8.588 2.231) 9.351 10.736 ( -14.885 1.860 -6.738) 16.444 10.736 ( -14.885 1.860 6.738) 16.444 11.265 ( -1.867 3.715 -6.031) 7.325 11.265 ( -1.867 3.715 6.031) 7.325 11.329 ( 3.016 10.394 -7.417) 13.121 11.329 ( 3.016 10.394 7.417) 13.121 11.637 ( -3.839 4.501 -13.172) 14.440 11.637 ( -3.839 4.501 13.172) 14.440 11.938 ( -4.819 13.109 -13.509) 19.431 11.938 ( -4.819 13.109 13.509) 19.431 12.230 ( 4.040 7.741 -5.112) 10.118 12.230 ( 4.040 7.741 5.112) 10.118 12.531 ( -6.745 3.237 -3.540) 8.277 12.531 ( -6.745 3.237 3.540) 8.277 12.898 ( 0.742 -16.229 -9.600) 18.870 12.898 ( 0.742 -16.229 9.600) 18.870 13.644 ( 3.363 -4.564 -2.532) 6.209 13.644 ( 3.363 -4.564 2.532) 6.209 13.862 ( 0.931 -9.417 -7.569) 12.118 13.862 ( 0.931 -9.417 7.569) 12.118 14.243 ( -4.778 0.300 -10.322) 11.378 14.243 ( -4.778 0.300 10.322) 11.378 14.774 ( 6.790 -0.022 -7.635) 10.218 14.774 ( 6.790 -0.022 7.635) 10.218 14.984 ( 0.845 6.170 -1.664) 6.446 14.984 ( 0.845 6.170 1.664) 6.446 15.252 ( 4.461 -1.314 -15.460) 16.145 15.252 ( 4.461 -1.314 15.460) 16.145 15.516 ( -1.502 -5.854 -13.030) 14.364 15.516 ( -1.502 -5.854 13.030) 14.364 16.546 ( 2.952 3.101 -3.049) 5.256 16.546 ( 2.952 3.101 3.049) 5.256 16.817 ( -1.545 -10.625 -6.535) 12.569 16.817 ( -1.545 -10.625 6.535) 12.569 16.898 ( -3.065 -4.461 -2.343) 5.898 16.898 ( -3.065 -4.461 2.343) 5.898 17.031 ( -1.254 -4.398 -2.011) 4.996 17.031 ( -1.254 -4.398 2.011) 4.996 17.466 ( 3.560 -11.089 -17.887) 21.345 17.466 ( 3.560 -11.089 17.887) 21.345 17.666 ( -2.275 -10.087 -13.016) 16.623 17.666 ( -2.275 -10.087 13.016) 16.623 17.733 ( -0.437 -1.961 -7.326) 7.596 17.733 ( -0.437 -1.961 7.326) 7.596 17.803 ( 0.231 2.584 -3.037) 3.994 17.803 ( 0.231 2.584 3.037) 3.994 18.113 ( -0.607 5.662 -5.683) 8.045 18.113 ( -0.607 5.662 5.683) 8.045 18.184 ( -0.546 4.571 -5.559) 7.218 18.184 ( -0.546 4.571 5.559) 7.218 19.157 ( 0.910 -10.350 -14.661) 17.969 19.157 ( 0.910 -10.350 14.661) 17.969 19.234 ( -0.327 -10.968 -15.589) 19.064 19.234 ( -0.327 -10.968 15.589) 19.064 20.067 ( -2.989 3.250 -3.237) 5.475 20.067 ( -2.989 3.250 3.237) 5.475 20.190 ( 0.680 1.789 -2.040) 2.797 20.190 ( 0.680 1.789 2.040) 2.797 20.401 ( 2.092 -4.872 -5.078) 7.342 20.401 ( 2.092 -4.872 5.078) 7.342 20.459 ( -0.603 -5.741 -4.380) 7.246 20.459 ( -0.603 -5.741 4.380) 7.246 20.856 ( 0.755 -3.796 -2.122) 4.414 20.856 ( 0.755 -3.796 2.122) 4.414 20.955 ( 0.010 -1.089 -1.994) 2.272 20.955 ( 0.010 -1.089 1.994) 2.272 21.265 ( -0.162 9.266 -8.385) 12.498 21.265 ( -0.162 9.266 8.385) 12.498 21.294 ( -0.974 5.559 -4.949) 7.506 21.294 ( -0.974 5.559 4.949) 7.506 21.507 ( 1.445 5.161 -0.746) 5.411 21.507 ( 1.445 5.161 0.746) 5.411 21.639 ( -1.998 0.587 -1.478) 2.554 21.639 ( -1.998 0.587 1.478) 2.554 21.833 ( 0.319 1.229 -3.266) 3.504 21.833 ( 0.319 1.229 3.266) 3.504 21.923 ( 0.794 -0.794 -5.761) 5.869 21.923 ( 0.794 -0.794 5.761) 5.869 22.208 ( -0.218 -2.822 -6.574) 7.157 22.208 ( -0.218 -2.822 6.574) 7.157 22.219 ( 0.289 -3.532 -3.417) 4.923 22.219 ( 0.289 -3.532 3.417) 4.923 22.527 ( -0.566 -1.971 -3.165) 3.772 22.527 ( -0.566 -1.971 3.165) 3.772 22.590 ( 0.293 -2.392 -1.937) 3.091 22.590 ( 0.293 -2.392 1.937) 3.091 22.671 ( 1.186 3.598 -5.806) 6.933 22.671 ( 1.186 3.598 5.806) 6.933 22.739 ( -0.471 4.434 -2.528) 5.126 22.739 ( -0.471 4.434 2.528) 5.126 23.576 ( 2.289 3.255 -0.752) 4.050 23.576 ( 2.289 3.255 0.752) 4.050 23.743 ( -1.824 -0.718 -0.342) 1.990 23.743 ( -1.824 -0.718 0.342) 1.990 24.026 ( -2.037 3.062 -1.303) 3.902 24.026 ( -2.037 3.062 1.303) 3.902 24.117 ( 1.554 1.016 -2.268) 2.931 24.117 ( 1.554 1.016 2.268) 2.931 24.903 ( 0.667 -5.685 -2.529) 6.258 24.903 ( 0.667 -5.685 2.529) 6.258 24.951 ( -0.382 -5.807 -5.621) 8.091 24.951 ( -0.382 -5.807 5.621) 8.091 25.286 ( -0.949 1.277 -1.845) 2.436 25.286 ( -0.949 1.277 1.845) 2.436 25.320 ( 0.700 1.012 -2.073) 2.410 25.320 ( 0.700 1.012 2.073) 2.410 25.523 ( -0.502 -3.693 -1.751) 4.118 25.523 ( -0.502 -3.693 1.751) 4.118 25.603 ( 0.151 -4.438 -1.706) 4.757 25.603 ( 0.151 -4.438 1.706) 4.757 25.826 ( 0.622 3.287 -2.358) 4.093 25.826 ( 0.622 3.287 2.358) 4.093 25.948 ( -0.064 1.191 -4.896) 5.039 25.948 ( -0.064 1.191 4.896) 5.039 26.212 ( -0.669 2.446 -1.231) 2.819 26.212 ( -0.669 2.446 1.231) 2.819 26.264 ( 0.246 1.273 -0.921) 1.590 26.264 ( 0.246 1.273 0.921) 1.590 26.531 ( -0.167 -2.416 -1.046) 2.639 26.531 ( -0.167 -2.416 1.046) 2.639 26.551 ( 0.333 -2.442 -0.481) 2.511 26.551 ( 0.333 -2.442 0.481) 2.511 26.809 ( 0.113 4.193 -0.520) 4.227 26.809 ( 0.113 4.193 0.520) 4.227 26.830 ( -0.019 4.518 -0.141) 4.520 26.830 ( -0.019 4.518 0.141) 4.520 27.344 ( -0.111 1.479 -0.674) 1.629 27.344 ( -0.111 1.479 0.674) 1.629 27.383 ( 0.016 -0.442 -0.023) 0.443 27.383 ( 0.016 -0.442 0.023) 0.443 28.226 ( -0.520 -1.367 -0.283) 1.489 28.226 ( -0.520 -1.367 0.283) 1.489 28.303 ( 0.431 -3.334 -0.296) 3.375 28.303 ( 0.431 -3.334 0.296) 3.375 28.885 ( 0.540 -0.986 -1.592) 1.949 28.885 ( 0.540 -0.986 1.592) 1.949 28.955 ( -0.852 -1.433 -1.863) 2.500 28.955 ( -0.852 -1.433 1.863) 2.500 29.202 ( 0.452 2.206 -0.598) 2.330 29.202 ( 0.452 2.206 0.598) 2.330 29.229 ( -0.212 1.081 -1.365) 1.754 29.229 ( -0.212 1.081 1.365) 1.754 29.789 ( 0.171 -3.375 -2.305) 4.091 29.789 ( 0.171 -3.375 2.305) 4.091 29.834 ( -0.120 -4.566 -1.771) 4.899 29.834 ( -0.120 -4.566 1.771) 4.899 ======================= Grid point 159 (54/60) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.925 ( 0.205 6.475 -0.760) 6.523 3.925 ( 0.205 6.475 0.760) 6.523 4.027 ( 0.160 6.561 -1.126) 6.658 4.027 ( 0.160 6.561 1.126) 6.658 5.464 ( 16.585 21.346 -30.714) 40.915 5.464 ( 16.585 21.346 30.714) 40.915 5.956 ( -8.089 15.059 -6.830) 18.409 5.956 ( -8.089 15.059 6.830) 18.409 6.330 ( -6.265 21.322 -10.985) 24.790 6.330 ( -6.265 21.322 10.985) 24.790 6.693 ( -6.752 27.245 -11.771) 30.438 6.693 ( -6.752 27.245 11.771) 30.438 7.228 ( -5.024 6.010 -0.540) 7.852 7.228 ( -5.024 6.010 0.540) 7.852 7.628 ( -3.215 21.429 -3.391) 21.932 7.628 ( -3.215 21.429 3.391) 21.932 8.383 ( 4.480 5.241 -6.832) 9.706 8.383 ( 4.480 5.241 6.832) 9.706 8.840 ( 17.058 -3.756 -14.943) 22.987 8.840 ( 17.058 -3.756 14.943) 22.987 9.142 ( 1.667 -9.218 -2.401) 9.671 9.142 ( 1.667 -9.218 2.401) 9.671 9.336 ( -6.803 -5.836 -4.886) 10.208 9.336 ( -6.803 -5.836 4.886) 10.208 9.429 ( 11.416 -9.294 -4.047) 15.267 9.429 ( 11.416 -9.294 4.047) 15.267 9.635 ( 4.115 10.004 -3.098) 11.253 9.635 ( 4.115 10.004 3.098) 11.253 10.026 ( -2.268 1.301 -3.989) 4.770 10.026 ( -2.268 1.301 3.989) 4.770 10.243 ( -2.299 19.655 -4.718) 20.344 10.243 ( -2.299 19.655 4.718) 20.344 10.428 ( -6.550 15.265 -5.542) 17.511 10.428 ( -6.550 15.265 5.542) 17.511 10.653 ( -12.101 3.794 -4.051) 13.314 10.653 ( -12.101 3.794 4.051) 13.314 11.281 ( 3.265 9.441 -6.237) 11.777 11.281 ( 3.265 9.441 6.237) 11.777 11.413 ( 2.859 6.860 -2.742) 7.922 11.413 ( 2.859 6.860 2.742) 7.922 11.648 ( 8.576 14.879 -13.694) 21.965 11.648 ( 8.576 14.879 13.694) 21.965 11.858 ( -7.337 14.816 -11.814) 20.320 11.858 ( -7.337 14.816 11.814) 20.320 12.159 ( -8.384 11.397 -5.549) 15.198 12.159 ( -8.384 11.397 5.549) 15.198 12.455 ( -0.234 -6.946 -1.423) 7.094 12.455 ( -0.234 -6.946 1.423) 7.094 12.996 ( 7.122 -20.625 -3.083) 22.036 12.996 ( 7.122 -20.625 3.083) 22.036 13.541 ( -8.640 -13.978 -2.501) 16.622 13.541 ( -8.640 -13.978 2.501) 16.622 13.987 ( 8.389 0.008 -2.738) 8.824 13.987 ( 8.389 0.008 2.738) 8.824 14.146 ( -5.599 -2.082 -4.048) 7.216 14.146 ( -5.599 -2.082 4.048) 7.216 14.910 ( 6.289 3.885 -12.156) 14.227 14.910 ( 6.289 3.885 12.156) 14.227 14.981 ( -1.466 3.746 -9.209) 10.050 14.981 ( -1.466 3.746 9.209) 10.050 15.350 ( 5.417 -1.642 -12.189) 13.439 15.350 ( 5.417 -1.642 12.189) 13.439 15.470 ( -3.420 -7.726 -11.763) 14.483 15.470 ( -3.420 -7.726 11.763) 14.483 16.618 ( 4.799 -2.885 -3.934) 6.843 16.618 ( 4.799 -2.885 3.934) 6.843 16.733 ( -6.326 -8.539 -3.574) 11.211 16.733 ( -6.326 -8.539 3.574) 11.211 16.880 ( 0.273 -4.156 -5.950) 7.263 16.880 ( 0.273 -4.156 5.950) 7.263 17.009 ( -0.822 -4.481 -2.922) 5.412 17.009 ( -0.822 -4.481 2.922) 5.412 17.542 ( 4.329 -11.464 -17.662) 21.496 17.542 ( 4.329 -11.464 17.662) 21.496 17.614 ( -3.437 -11.506 -16.421) 20.343 17.614 ( -3.437 -11.506 16.421) 20.343 17.724 ( -0.393 3.237 -2.490) 4.103 17.724 ( -0.393 3.237 2.490) 4.103 17.806 ( 0.079 1.320 -0.914) 1.607 17.806 ( 0.079 1.320 0.914) 1.607 18.104 ( -0.251 6.662 -1.974) 6.953 18.104 ( -0.251 6.662 1.974) 6.953 18.173 ( -0.421 4.866 -2.015) 5.283 18.173 ( -0.421 4.866 2.015) 5.283 19.174 ( 0.714 -10.641 -8.199) 13.453 19.174 ( 0.714 -10.641 8.199) 13.453 19.226 ( -0.352 -10.732 -8.557) 13.730 19.226 ( -0.352 -10.732 8.557) 13.730 20.024 ( -1.328 2.026 -1.108) 2.664 20.024 ( -1.328 2.026 1.108) 2.664 20.191 ( -0.186 -0.803 -0.734) 1.104 20.191 ( -0.186 -0.803 0.734) 1.104 20.436 ( 1.312 -1.795 -1.963) 2.966 20.436 ( 1.312 -1.795 1.963) 2.966 20.450 ( -0.288 -4.985 -2.690) 5.672 20.450 ( -0.288 -4.985 2.690) 5.672 20.869 ( 0.519 -2.563 -1.273) 2.908 20.869 ( 0.519 -2.563 1.273) 2.908 20.953 ( -0.116 -1.933 -1.114) 2.234 20.953 ( -0.116 -1.933 1.114) 2.234 21.262 ( -0.060 8.775 -4.418) 9.825 21.262 ( -0.060 8.775 4.418) 9.825 21.281 ( -0.411 4.806 -2.536) 5.449 21.281 ( -0.411 4.806 2.536) 5.449 21.536 ( 1.583 4.140 -0.326) 4.445 21.536 ( 1.583 4.140 0.326) 4.445 21.597 ( -2.194 0.847 -1.288) 2.682 21.597 ( -2.194 0.847 1.288) 2.682 21.841 ( 0.421 1.370 -1.750) 2.262 21.841 ( 0.421 1.370 1.750) 2.262 21.935 ( 0.335 0.300 -2.602) 2.641 21.935 ( 0.335 0.300 2.602) 2.641 22.203 ( -0.172 -2.852 -1.507) 3.230 22.203 ( -0.172 -2.852 1.507) 3.230 22.224 ( 0.204 -4.003 -1.076) 4.150 22.224 ( 0.204 -4.003 1.076) 4.150 22.518 ( -0.347 -1.618 -0.970) 1.919 22.518 ( -0.347 -1.618 0.970) 1.919 22.595 ( 0.176 -3.002 -0.542) 3.056 22.595 ( 0.176 -3.002 0.542) 3.056 22.698 ( 1.610 4.250 -4.842) 6.640 22.698 ( 1.610 4.250 4.842) 6.640 22.724 ( -1.158 4.463 -3.618) 5.861 22.724 ( -1.158 4.463 3.618) 5.861 23.631 ( 3.494 1.890 -0.900) 4.073 23.631 ( 3.494 1.890 0.900) 4.073 23.695 ( -3.215 0.382 -0.752) 3.324 23.695 ( -3.215 0.382 0.752) 3.324 23.997 ( -0.899 3.684 -0.533) 3.830 23.997 ( -0.899 3.684 0.533) 3.830 24.137 ( 0.609 0.691 -0.796) 1.218 24.137 ( 0.609 0.691 0.796) 1.218 24.918 ( 0.764 -6.007 -2.449) 6.532 24.918 ( 0.764 -6.007 2.449) 6.532 24.941 ( -0.583 -5.411 -3.633) 6.544 24.941 ( -0.583 -5.411 3.633) 6.544 25.272 ( -0.460 1.317 -0.744) 1.581 25.272 ( -0.460 1.317 0.744) 1.581 25.329 ( 0.295 1.226 -0.746) 1.465 25.329 ( 0.295 1.226 0.746) 1.465 25.515 ( -0.298 -3.177 -0.644) 3.255 25.515 ( -0.298 -3.177 0.644) 3.255 25.606 ( 0.093 -4.823 -0.571) 4.858 25.606 ( 0.093 -4.823 0.571) 4.858 25.838 ( 0.446 2.813 -1.078) 3.045 25.838 ( 0.446 2.813 1.078) 3.045 25.946 ( -0.119 0.617 -2.137) 2.228 25.946 ( -0.119 0.617 2.137) 2.228 26.201 ( -0.357 2.770 -0.555) 2.848 26.201 ( -0.357 2.770 0.555) 2.848 26.268 ( 0.112 1.407 -0.329) 1.449 26.268 ( 0.112 1.407 0.329) 1.449 26.529 ( -0.062 -2.057 -0.384) 2.093 26.529 ( -0.062 -2.057 0.384) 2.093 26.556 ( 0.160 -2.762 -0.235) 2.777 26.556 ( 0.160 -2.762 0.235) 2.777 26.811 ( 0.067 4.487 -0.249) 4.495 26.811 ( 0.067 4.487 0.249) 4.495 26.830 ( -0.011 4.180 -0.072) 4.181 26.830 ( -0.011 4.180 0.072) 4.181 27.342 ( -0.064 1.169 -0.267) 1.201 27.342 ( -0.064 1.169 0.267) 1.201 27.383 ( 0.005 -0.073 -0.009) 0.073 27.383 ( 0.005 -0.073 0.009) 0.073 28.217 ( -0.276 -1.314 -0.107) 1.347 28.217 ( -0.276 -1.314 0.107) 1.347 28.310 ( 0.221 -3.349 -0.106) 3.358 28.310 ( 0.221 -3.349 0.106) 3.358 28.898 ( 0.651 -0.822 -1.165) 1.567 28.898 ( 0.651 -0.822 1.165) 1.567 28.938 ( -0.835 -1.629 -1.273) 2.230 28.938 ( -0.835 -1.629 1.273) 2.230 29.211 ( 0.512 2.004 -0.793) 2.215 29.211 ( 0.512 2.004 0.793) 2.215 29.223 ( -0.371 1.320 -1.050) 1.726 29.223 ( -0.371 1.320 1.050) 1.726 29.792 ( 0.119 -3.708 -0.999) 3.842 29.792 ( 0.119 -3.708 0.999) 3.842 29.832 ( -0.088 -4.203 -0.799) 4.279 29.832 ( -0.088 -4.203 0.799) 4.279 ======================= Grid point 165 (55/60) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.031 ( 0.000 5.003 -0.823) 5.070 4.031 ( 0.000 5.003 0.823) 5.070 4.117 ( 0.000 2.024 -0.520) 2.090 4.117 ( 0.000 2.024 0.520) 2.090 5.751 ( 0.000 23.494 -21.562) 31.888 5.751 ( 0.000 23.494 21.562) 31.888 6.363 ( 0.000 24.284 -9.059) 25.919 6.363 ( 0.000 24.284 9.059) 25.919 6.880 ( 0.000 4.939 -3.731) 6.190 6.880 ( 0.000 4.939 3.731) 6.190 7.315 ( 0.000 12.912 -18.710) 22.733 7.315 ( 0.000 12.912 18.710) 22.733 7.581 ( 0.000 -8.357 -0.691) 8.385 7.581 ( 0.000 -8.357 0.691) 8.385 8.118 ( 0.000 7.972 -4.942) 9.380 8.118 ( 0.000 7.972 4.942) 9.380 8.332 ( 0.000 8.348 -10.990) 13.801 8.332 ( 0.000 8.348 10.990) 13.801 8.754 ( 0.000 -4.788 -5.204) 7.071 8.754 ( 0.000 -4.788 5.204) 7.071 8.871 ( 0.000 23.053 -12.133) 26.051 8.871 ( 0.000 23.053 12.133) 26.051 9.144 ( 0.000 10.189 -7.512) 12.658 9.144 ( 0.000 10.189 7.512) 12.658 9.433 ( 0.000 -10.468 -16.487) 19.530 9.433 ( 0.000 -10.468 16.487) 19.530 9.554 ( 0.000 10.929 -1.539) 11.037 9.554 ( 0.000 10.929 1.539) 11.037 9.692 ( 0.000 -0.115 -2.121) 2.125 9.692 ( 0.000 -0.115 2.121) 2.125 10.354 ( 0.000 -11.178 -10.721) 15.488 10.354 ( 0.000 -11.178 10.721) 15.488 10.619 ( 0.000 -11.942 -1.056) 11.989 10.619 ( 0.000 -11.942 1.056) 11.989 11.119 ( 0.000 9.167 -1.971) 9.376 11.119 ( 0.000 9.167 1.971) 9.376 11.305 ( 0.000 -1.822 -2.766) 3.312 11.305 ( 0.000 -1.822 2.766) 3.312 11.448 ( 0.000 3.662 -0.813) 3.751 11.448 ( 0.000 3.662 0.813) 3.751 11.933 ( 0.000 24.757 -4.777) 25.214 11.933 ( 0.000 24.757 4.777) 25.214 12.246 ( 0.000 8.773 -12.182) 15.012 12.246 ( 0.000 8.773 12.182) 15.012 12.405 ( 0.000 -4.852 -6.599) 8.191 12.405 ( 0.000 -4.852 6.599) 8.191 12.629 ( 0.000 3.217 -5.171) 6.090 12.629 ( 0.000 3.217 5.171) 6.090 12.760 ( 0.000 13.209 -7.437) 15.158 12.760 ( 0.000 13.209 7.437) 15.158 13.475 ( 0.000 -10.487 -4.547) 11.430 13.475 ( 0.000 -10.487 4.547) 11.430 13.637 ( 0.000 -7.994 -4.144) 9.005 13.637 ( 0.000 -7.994 4.144) 9.005 14.224 ( 0.000 -11.302 -7.586) 13.612 14.224 ( 0.000 -11.302 7.586) 13.612 14.686 ( 0.000 1.726 -7.197) 7.402 14.686 ( 0.000 1.726 7.197) 7.402 14.983 ( 0.000 -5.113 -8.295) 9.744 14.983 ( 0.000 -5.113 8.295) 9.744 15.298 ( 0.000 7.845 -13.129) 15.294 15.298 ( 0.000 7.845 13.129) 15.294 15.515 ( 0.000 3.654 -11.337) 11.912 15.515 ( 0.000 3.654 11.337) 11.912 16.582 ( 0.000 -0.114 -3.013) 3.015 16.582 ( 0.000 -0.114 3.013) 3.015 16.664 ( 0.000 -4.243 -10.399) 11.232 16.664 ( 0.000 -4.243 10.399) 11.232 16.890 ( 0.000 2.716 -0.348) 2.738 16.890 ( 0.000 2.716 0.348) 2.738 16.946 ( 0.000 -6.366 -6.647) 9.204 16.946 ( 0.000 -6.366 6.647) 9.204 17.157 ( 0.000 -13.659 -14.086) 19.621 17.157 ( 0.000 -13.659 14.086) 19.621 17.350 ( 0.000 -16.264 -14.902) 22.059 17.350 ( 0.000 -16.264 14.902) 22.059 17.747 ( 0.000 1.915 -5.479) 5.804 17.747 ( 0.000 1.915 5.479) 5.804 17.875 ( 0.000 2.181 -1.516) 2.656 17.875 ( 0.000 2.181 1.516) 2.656 18.221 ( 0.000 4.215 -2.288) 4.796 18.221 ( 0.000 4.215 2.288) 4.796 18.266 ( 0.000 2.684 -3.139) 4.130 18.266 ( 0.000 2.684 3.139) 4.130 18.991 ( 0.000 -4.936 -7.221) 8.747 18.991 ( 0.000 -4.936 7.221) 8.747 19.054 ( 0.000 -6.447 -9.580) 11.547 19.054 ( 0.000 -6.447 9.580) 11.547 20.138 ( 0.000 0.231 -0.406) 0.467 20.138 ( 0.000 0.231 0.406) 0.467 20.216 ( 0.000 -0.459 -2.789) 2.826 20.216 ( 0.000 -0.459 2.789) 2.826 20.243 ( 0.000 -4.916 -6.573) 8.208 20.243 ( 0.000 -4.916 6.573) 8.208 20.356 ( 0.000 -3.535 -2.946) 4.602 20.356 ( 0.000 -3.535 2.946) 4.602 20.773 ( 0.000 -2.434 -2.323) 3.365 20.773 ( 0.000 -2.434 2.323) 3.365 20.934 ( 0.000 -0.863 -2.126) 2.295 20.934 ( 0.000 -0.863 2.126) 2.295 21.434 ( 0.000 5.486 -7.057) 8.938 21.434 ( 0.000 5.486 7.057) 8.938 21.504 ( 0.000 11.897 -11.137) 16.296 21.504 ( 0.000 11.897 11.137) 16.296 21.607 ( 0.000 5.575 -2.598) 6.151 21.607 ( 0.000 5.575 2.598) 6.151 21.658 ( 0.000 -0.211 -1.520) 1.535 21.658 ( 0.000 -0.211 1.520) 1.535 21.838 ( 0.000 -2.612 -4.071) 4.837 21.838 ( 0.000 -2.612 4.071) 4.837 21.872 ( 0.000 -1.777 -6.104) 6.357 21.872 ( 0.000 -1.777 6.104) 6.357 22.133 ( 0.000 -2.815 -9.116) 9.541 22.133 ( 0.000 -2.815 9.116) 9.541 22.202 ( 0.000 0.235 -8.418) 8.421 22.202 ( 0.000 0.235 8.418) 8.421 22.474 ( 0.000 -2.425 -3.268) 4.070 22.474 ( 0.000 -2.425 3.268) 4.070 22.528 ( 0.000 -3.367 -2.849) 4.411 22.528 ( 0.000 -3.367 2.849) 4.411 22.721 ( 0.000 2.308 -3.188) 3.936 22.721 ( 0.000 2.308 3.188) 3.936 22.824 ( 0.000 3.085 -1.751) 3.547 22.824 ( 0.000 3.085 1.751) 3.547 23.621 ( 0.000 2.395 -0.243) 2.407 23.621 ( 0.000 2.395 0.243) 2.407 23.743 ( 0.000 -0.485 -0.475) 0.679 23.743 ( 0.000 -0.485 0.475) 0.679 24.076 ( 0.000 0.393 -0.342) 0.521 24.076 ( 0.000 0.393 0.342) 0.521 24.142 ( 0.000 2.315 -2.867) 3.685 24.142 ( 0.000 2.315 2.867) 3.685 24.798 ( 0.000 -3.570 -0.343) 3.586 24.798 ( 0.000 -3.570 0.343) 3.586 24.844 ( 0.000 -4.489 -4.094) 6.076 24.844 ( 0.000 -4.489 4.094) 6.076 25.303 ( 0.000 -0.644 -3.240) 3.304 25.303 ( 0.000 -0.644 3.240) 3.304 25.335 ( 0.000 1.642 -3.532) 3.895 25.335 ( 0.000 1.642 3.532) 3.895 25.466 ( 0.000 -1.837 -1.011) 2.097 25.466 ( 0.000 -1.837 1.011) 2.097 25.522 ( 0.000 -3.440 -0.119) 3.442 25.522 ( 0.000 -3.440 0.119) 3.442 25.892 ( 0.000 3.098 -0.597) 3.155 25.892 ( 0.000 3.098 0.597) 3.155 25.961 ( 0.000 -0.153 -4.735) 4.737 25.961 ( 0.000 -0.153 4.735) 4.737 26.261 ( 0.000 1.619 -0.783) 1.799 26.261 ( 0.000 1.619 0.783) 1.799 26.289 ( 0.000 1.356 -0.966) 1.665 26.289 ( 0.000 1.356 0.966) 1.665 26.475 ( 0.000 -2.449 -0.900) 2.610 26.475 ( 0.000 -2.449 0.900) 2.610 26.513 ( 0.000 -1.254 -1.016) 1.614 26.513 ( 0.000 -1.254 1.016) 1.614 26.879 ( 0.000 2.646 -0.207) 2.654 26.879 ( 0.000 2.646 0.207) 2.654 26.921 ( 0.000 3.796 -0.101) 3.798 26.921 ( 0.000 3.796 0.101) 3.798 27.357 ( 0.000 -0.989 -0.239) 1.018 27.357 ( 0.000 -0.989 0.239) 1.018 27.384 ( 0.000 1.240 -0.495) 1.335 27.384 ( 0.000 1.240 0.495) 1.335 28.201 ( 0.000 -1.503 -0.202) 1.517 28.201 ( 0.000 -1.503 0.202) 1.517 28.237 ( 0.000 -2.172 -0.753) 2.299 28.237 ( 0.000 -2.172 0.753) 2.299 28.861 ( 0.000 -0.731 -0.870) 1.136 28.861 ( 0.000 -0.731 0.870) 1.136 28.936 ( 0.000 -1.118 -1.243) 1.672 28.936 ( 0.000 -1.118 1.243) 1.672 29.247 ( 0.000 1.867 -0.871) 2.060 29.247 ( 0.000 1.867 0.871) 2.060 29.263 ( 0.000 2.253 -0.588) 2.328 29.263 ( 0.000 2.253 0.588) 2.328 29.722 ( 0.000 -2.874 -1.295) 3.152 29.722 ( 0.000 -2.874 1.295) 3.152 29.737 ( 0.000 -4.235 -1.104) 4.377 29.737 ( 0.000 -4.235 1.104) 4.377 ======================= Grid point 167 (56/60) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.035 ( 0.377 4.935 -0.835) 5.019 4.035 ( 0.377 4.935 0.835) 5.019 4.117 ( -0.010 2.032 -0.573) 2.111 4.117 ( -0.010 2.032 0.573) 2.111 5.779 ( 3.652 23.273 -22.880) 32.841 5.779 ( 3.652 23.273 22.880) 32.841 6.371 ( 0.564 21.043 -7.352) 22.297 6.371 ( 0.564 21.043 7.352) 22.297 6.801 ( -11.975 -0.048 -4.491) 12.790 6.801 ( -11.975 -0.048 4.491) 12.790 7.093 ( -14.251 7.942 -12.920) 20.811 7.093 ( -14.251 7.942 12.920) 20.811 7.552 ( -0.047 6.963 -14.310) 15.914 7.552 ( -0.047 6.963 14.310) 15.914 8.159 ( -7.248 5.534 -18.070) 20.241 8.159 ( -7.248 5.534 18.070) 20.241 8.406 ( 11.489 8.856 -4.598) 15.218 8.406 ( 11.489 8.856 4.598) 15.218 8.699 ( -5.452 7.679 -2.165) 9.663 8.699 ( -5.452 7.679 2.165) 9.663 8.881 ( 2.420 -2.148 -5.421) 6.313 8.881 ( 2.420 -2.148 5.421) 6.313 9.159 ( 0.143 -2.778 -6.088) 6.694 9.159 ( 0.143 -2.778 6.088) 6.694 9.380 ( 0.477 5.020 -9.014) 10.329 9.380 ( 0.477 5.020 9.014) 10.329 9.691 ( 9.294 6.232 -6.737) 13.062 9.691 ( 9.294 6.232 6.737) 13.062 9.856 ( 17.395 5.677 -1.595) 18.367 9.856 ( 17.395 5.677 1.595) 18.367 10.416 ( 4.034 -3.811 -4.376) 7.068 10.416 ( 4.034 -3.811 4.376) 7.068 10.670 ( 3.279 -4.510 -7.925) 9.690 10.670 ( 3.279 -4.510 7.925) 9.690 11.073 ( -6.975 5.099 -2.886) 9.109 11.073 ( -6.975 5.099 2.886) 9.109 11.200 ( 1.013 -0.743 -3.267) 3.500 11.200 ( 1.013 -0.743 3.267) 3.500 11.607 ( 5.428 5.777 -2.449) 8.296 11.607 ( 5.428 5.777 2.449) 8.296 11.949 ( 3.392 26.157 -6.493) 27.163 11.949 ( 3.392 26.157 6.493) 27.163 12.160 ( -10.083 7.544 -5.405) 13.704 12.160 ( -10.083 7.544 5.405) 13.704 12.284 ( -6.885 -3.564 -3.339) 8.441 12.284 ( -6.885 -3.564 3.339) 8.441 12.581 ( -2.289 -2.503 -9.575) 10.159 12.581 ( -2.289 -2.503 9.575) 10.159 12.802 ( 0.192 14.195 -6.714) 15.704 12.802 ( 0.192 14.195 6.714) 15.704 13.437 ( -9.399 -12.805 -4.291) 16.454 13.437 ( -9.399 -12.805 4.291) 16.454 13.669 ( 8.362 -7.951 -1.892) 11.693 13.669 ( 8.362 -7.951 1.892) 11.693 14.173 ( -4.902 -9.720 -5.142) 12.039 14.173 ( -4.902 -9.720 5.142) 12.039 14.748 ( 5.925 0.528 -5.924) 8.395 14.748 ( 5.925 0.528 5.924) 8.395 15.037 ( 4.724 -5.390 -5.776) 9.205 15.037 ( 4.724 -5.390 5.776) 9.205 15.298 ( 0.195 7.442 -13.461) 15.382 15.298 ( 0.195 7.442 13.461) 15.382 15.495 ( -2.022 3.515 -11.296) 12.002 15.495 ( -2.022 3.515 11.296) 12.002 16.543 ( -2.990 -2.303 -5.140) 6.376 16.543 ( -2.990 -2.303 5.140) 6.376 16.639 ( -3.487 -6.386 -3.804) 8.210 16.639 ( -3.487 -6.386 3.804) 8.210 16.846 ( -1.986 -0.584 -4.504) 4.957 16.846 ( -1.986 -0.584 4.504) 4.957 16.981 ( 0.867 -0.440 -1.684) 1.945 16.981 ( 0.867 -0.440 1.684) 1.945 17.181 ( 3.132 -14.753 -13.806) 20.446 17.181 ( 3.132 -14.753 13.806) 20.446 17.353 ( -0.073 -14.318 -13.575) 19.731 17.353 ( -0.073 -14.318 13.575) 19.731 17.769 ( 2.164 2.430 -4.927) 5.904 17.769 ( 2.164 2.430 4.927) 5.904 17.873 ( -0.259 2.468 -1.726) 3.023 17.873 ( -0.259 2.468 1.726) 3.023 18.222 ( 0.110 4.406 -1.950) 4.820 18.222 ( 0.110 4.406 1.950) 4.820 18.264 ( -0.186 2.825 -2.679) 3.897 18.264 ( -0.186 2.825 2.679) 3.897 18.997 ( 0.621 -5.087 -6.947) 8.632 18.997 ( 0.621 -5.087 6.947) 8.632 19.051 ( -0.311 -6.500 -8.891) 11.018 19.051 ( -0.311 -6.500 8.891) 11.018 20.096 ( -3.967 0.204 -2.792) 4.856 20.096 ( -3.967 0.204 2.792) 4.856 20.152 ( -2.964 -3.477 -3.293) 5.632 20.152 ( -2.964 -3.477 3.293) 5.632 20.316 ( 3.585 -4.043 -2.652) 6.019 20.316 ( 3.585 -4.043 2.652) 6.019 20.372 ( 1.732 -1.982 -2.271) 3.476 20.372 ( 1.732 -1.982 2.271) 3.476 20.797 ( 2.298 -1.702 -2.587) 3.856 20.797 ( 2.298 -1.702 2.587) 3.856 20.928 ( -0.690 -1.095 -2.084) 2.453 20.928 ( -0.690 -1.095 2.084) 2.453 21.414 ( -1.629 5.331 -5.799) 8.043 21.414 ( -1.629 5.331 5.799) 8.043 21.495 ( -1.045 11.056 -9.582) 14.668 21.495 ( -1.045 11.056 9.582) 14.668 21.602 ( -0.808 3.135 -2.601) 4.153 21.602 ( -0.808 3.135 2.601) 4.153 21.649 ( -0.356 2.167 -2.126) 3.057 21.649 ( -0.356 2.167 2.126) 3.057 21.849 ( 1.053 -1.181 -2.205) 2.714 21.849 ( 1.053 -1.181 2.205) 2.714 21.889 ( 1.404 -2.608 -4.163) 5.109 21.889 ( 1.404 -2.608 4.163) 5.109 22.138 ( 0.585 -2.271 -9.250) 9.542 22.138 ( 0.585 -2.271 9.250) 9.542 22.196 ( -0.587 0.021 -8.962) 8.981 22.196 ( -0.587 0.021 8.962) 8.981 22.474 ( 0.028 -2.316 -2.844) 3.668 22.474 ( 0.028 -2.316 2.844) 3.668 22.524 ( -0.360 -3.521 -2.659) 4.426 22.524 ( -0.360 -3.521 2.659) 4.426 22.737 ( 1.554 2.389 -2.980) 4.124 22.737 ( 1.554 2.389 2.980) 4.124 22.819 ( -0.577 2.991 -1.910) 3.595 22.819 ( -0.577 2.991 1.910) 3.595 23.632 ( 1.202 1.977 -0.317) 2.335 23.632 ( 1.202 1.977 0.317) 2.335 23.731 ( -1.233 -0.330 -0.451) 1.353 23.731 ( -1.233 -0.330 0.451) 1.353 24.075 ( -0.128 1.583 -0.439) 1.648 24.075 ( -0.128 1.583 0.439) 1.648 24.144 ( 0.198 1.425 -2.340) 2.747 24.144 ( 0.198 1.425 2.340) 2.747 24.803 ( 0.516 -3.616 -0.171) 3.656 24.803 ( 0.516 -3.616 0.171) 3.656 24.842 ( -0.172 -4.426 -3.465) 5.624 24.842 ( -0.172 -4.426 3.465) 5.624 25.305 ( 0.129 0.163 -3.100) 3.107 25.305 ( 0.129 0.163 3.100) 3.107 25.336 ( 0.157 1.179 -3.129) 3.348 25.336 ( 0.157 1.179 3.129) 3.348 25.463 ( -0.241 -1.869 -0.774) 2.037 25.463 ( -0.241 -1.869 0.774) 2.037 25.519 ( -0.248 -3.607 -0.270) 3.626 25.519 ( -0.248 -3.607 0.270) 3.626 25.892 ( -0.016 2.820 -0.761) 2.921 25.892 ( -0.016 2.820 0.761) 2.921 25.956 ( -0.449 -0.263 -4.057) 4.090 25.956 ( -0.449 -0.263 4.057) 4.090 26.259 ( -0.208 1.933 -0.816) 2.108 26.259 ( -0.208 1.933 0.816) 2.108 26.291 ( 0.177 1.169 -0.629) 1.339 26.291 ( 0.177 1.169 0.629) 1.339 26.480 ( 0.507 -2.209 -0.779) 2.396 26.480 ( 0.507 -2.209 0.779) 2.396 26.511 ( -0.232 -1.414 -0.895) 1.689 26.511 ( -0.232 -1.414 0.895) 1.689 26.883 ( 0.397 2.746 -0.204) 2.782 26.883 ( 0.397 2.746 0.204) 2.782 26.917 ( -0.402 3.624 -0.068) 3.647 26.917 ( -0.402 3.624 0.068) 3.647 27.358 ( 0.102 -0.502 -0.196) 0.548 27.358 ( 0.102 -0.502 0.196) 0.548 27.383 ( -0.109 0.809 -0.432) 0.924 27.383 ( -0.109 0.809 0.432) 0.924 28.199 ( -0.240 -1.149 -0.207) 1.192 28.199 ( -0.240 -1.149 0.207) 1.192 28.239 ( 0.195 -2.504 -0.586) 2.579 28.239 ( 0.195 -2.504 0.586) 2.579 28.867 ( 0.570 -0.741 -0.922) 1.312 28.867 ( 0.570 -0.741 0.922) 1.312 28.927 ( -0.897 -1.109 -1.216) 1.874 28.927 ( -0.897 -1.109 1.216) 1.874 29.250 ( 0.258 1.868 -0.825) 2.058 29.250 ( 0.258 1.868 0.825) 2.058 29.263 ( -0.031 2.218 -0.603) 2.299 29.263 ( -0.031 2.218 0.603) 2.299 29.720 ( -0.137 -2.978 -0.814) 3.090 29.720 ( -0.137 -2.978 0.814) 3.090 29.740 ( 0.253 -4.082 -0.655) 4.142 29.740 ( 0.253 -4.082 0.655) 4.142 ======================= Grid point 169 (57/60) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.043 ( 0.312 4.835 -0.448) 4.866 4.043 ( 0.312 4.835 0.448) 4.866 4.116 ( -0.078 2.076 -0.289) 2.098 4.116 ( -0.078 2.076 0.289) 2.098 5.916 ( 11.639 20.099 -19.633) 30.412 5.916 ( 11.639 20.099 19.633) 30.412 6.257 ( -16.152 13.319 -11.034) 23.665 6.257 ( -16.152 13.319 11.034) 23.665 6.590 ( -2.478 6.803 -6.075) 9.452 6.590 ( -2.478 6.803 6.075) 9.452 6.955 ( -3.654 -1.296 -4.335) 5.816 6.955 ( -3.654 -1.296 4.335) 5.816 7.602 ( 4.249 24.817 -14.054) 28.835 7.602 ( 4.249 24.817 14.054) 28.835 7.991 ( -7.903 10.309 -15.361) 20.117 7.991 ( -7.903 10.309 15.361) 20.117 8.411 ( -5.034 -1.389 -1.894) 5.555 8.411 ( -5.034 -1.389 1.894) 5.555 8.777 ( 8.057 -4.948 -9.871) 13.669 8.777 ( 8.057 -4.948 9.871) 13.669 8.920 ( 2.879 -9.436 -8.513) 13.030 8.920 ( 2.879 -9.436 8.513) 13.030 9.062 ( -8.844 -13.544 -20.250) 25.917 9.062 ( -8.844 -13.544 20.250) 25.917 9.531 ( 10.943 14.920 -5.536) 19.313 9.531 ( 10.943 14.920 5.536) 19.313 9.870 ( 5.298 4.567 -7.517) 10.268 9.870 ( 5.298 4.567 7.517) 10.268 10.122 ( 9.524 15.735 -0.709) 18.406 10.122 ( 9.524 15.735 0.709) 18.406 10.479 ( 4.711 7.609 -3.142) 9.485 10.479 ( 4.711 7.609 3.142) 9.485 10.697 ( 1.818 6.197 -6.016) 8.826 10.697 ( 1.818 6.197 6.016) 8.826 10.874 ( -15.249 11.741 -11.018) 22.176 10.874 ( -15.249 11.741 11.018) 22.176 11.343 ( 11.998 0.558 -4.817) 12.941 11.343 ( 11.998 0.558 4.817) 12.941 11.574 ( -6.475 7.724 -4.515) 11.044 11.574 ( -6.475 7.724 4.515) 11.044 11.929 ( -5.318 -11.976 -9.010) 15.902 11.929 ( -5.318 -11.976 9.010) 15.902 12.127 ( 3.435 9.973 -5.322) 11.815 12.127 ( 3.435 9.973 5.322) 11.815 12.263 ( 7.229 9.785 -3.264) 12.596 12.263 ( 7.229 9.785 3.264) 12.596 12.468 ( -10.451 9.687 -6.704) 15.748 12.468 ( -10.451 9.687 6.704) 15.748 12.817 ( 2.101 9.641 -4.929) 11.030 12.817 ( 2.101 9.641 4.929) 11.030 13.215 ( -10.336 -15.102 -0.584) 18.310 13.215 ( -10.336 -15.102 0.584) 18.310 13.866 ( 10.413 -10.052 -1.466) 14.548 13.866 ( 10.413 -10.052 1.466) 14.548 14.062 ( -6.910 -8.399 -1.880) 11.037 14.062 ( -6.910 -8.399 1.880) 11.037 14.853 ( 3.991 -1.791 -2.900) 5.248 14.853 ( 3.991 -1.791 2.900) 5.248 15.105 ( 1.907 -4.888 -1.572) 5.477 15.105 ( 1.907 -4.888 1.572) 5.477 15.314 ( 1.407 5.639 -9.493) 11.130 15.314 ( 1.407 5.639 9.493) 11.130 15.450 ( -2.337 3.805 -7.830) 9.014 15.450 ( -2.337 3.805 7.830) 9.014 16.511 ( 0.110 -5.484 -4.100) 6.848 16.511 ( 0.110 -5.484 4.100) 6.848 16.556 ( -4.413 -7.141 -1.011) 8.456 16.556 ( -4.413 -7.141 1.011) 8.456 16.830 ( -0.211 -1.307 -2.216) 2.581 16.830 ( -0.211 -1.307 2.216) 2.581 16.977 ( -0.474 -0.552 -1.823) 1.963 16.977 ( -0.474 -0.552 1.823) 1.963 17.251 ( 3.355 -13.690 -10.174) 17.383 17.251 ( 3.355 -13.690 10.174) 17.383 17.338 ( -1.382 -11.765 -9.802) 15.375 17.338 ( -1.382 -11.765 9.802) 15.375 17.811 ( 1.862 3.770 -2.906) 5.111 17.811 ( 1.862 3.770 2.906) 5.111 17.865 ( -0.622 2.527 -1.687) 3.101 17.865 ( -0.622 2.527 1.687) 3.101 18.225 ( 0.134 4.679 -0.887) 4.764 18.225 ( 0.134 4.679 0.887) 4.764 18.260 ( -0.178 3.093 -1.186) 3.317 18.260 ( -0.178 3.093 1.186) 3.317 19.009 ( 0.505 -5.297 -4.161) 6.755 19.009 ( 0.505 -5.297 4.161) 6.755 19.045 ( -0.294 -6.605 -4.927) 8.245 19.045 ( -0.294 -6.605 4.927) 8.245 20.035 ( -1.977 -0.302 -1.318) 2.395 20.035 ( -1.977 -0.302 1.318) 2.395 20.111 ( -1.339 -4.750 -1.352) 5.117 20.111 ( -1.339 -4.750 1.352) 5.117 20.359 ( 1.205 -2.816 -0.975) 3.215 20.359 ( 1.205 -2.816 0.975) 3.215 20.403 ( 1.125 -2.396 -0.977) 2.822 20.403 ( 1.125 -2.396 0.977) 2.822 20.842 ( 2.066 -0.249 -2.036) 2.911 20.842 ( 2.066 -0.249 2.036) 2.911 20.909 ( -1.123 -1.802 -1.647) 2.688 20.909 ( -1.123 -1.802 1.647) 2.688 21.393 ( -0.502 5.355 -2.698) 6.017 21.393 ( -0.502 5.355 2.698) 6.017 21.471 ( -1.185 8.634 -3.728) 9.479 21.471 ( -1.185 8.634 3.728) 9.479 21.587 ( -0.504 1.333 -1.442) 2.028 21.587 ( -0.504 1.333 1.442) 2.028 21.648 ( -0.014 5.210 -2.038) 5.595 21.648 ( -0.014 5.210 2.038) 5.595 21.867 ( 0.673 -0.050 -0.576) 0.887 21.867 ( 0.673 -0.050 0.576) 0.887 21.909 ( 0.609 -3.405 -1.465) 3.756 21.909 ( 0.609 -3.405 1.465) 3.756 22.155 ( 1.234 -1.158 -9.322) 9.475 22.155 ( 1.234 -1.158 9.322) 9.475 22.180 ( -1.170 -0.453 -9.342) 9.426 22.180 ( -1.170 -0.453 9.342) 9.426 22.475 ( 0.017 -2.025 -1.234) 2.372 22.475 ( 0.017 -2.025 1.234) 2.372 22.518 ( -0.201 -3.881 -1.234) 4.078 22.518 ( -0.201 -3.881 1.234) 4.078 22.771 ( 1.940 2.561 -2.565) 4.111 22.771 ( 1.940 2.561 2.565) 4.111 22.802 ( -1.365 2.777 -2.198) 3.795 22.802 ( -1.365 2.777 2.198) 3.795 23.662 ( 1.950 1.062 -0.327) 2.245 23.662 ( 1.950 1.062 0.327) 2.245 23.701 ( -1.979 0.158 -0.357) 2.017 23.701 ( -1.979 0.158 0.357) 2.017 24.073 ( -0.056 3.363 -0.210) 3.370 24.073 ( -0.056 3.363 0.210) 3.370 24.147 ( 0.112 0.137 -0.900) 0.917 24.147 ( 0.112 0.137 0.900) 0.917 24.813 ( 0.451 -3.725 -0.180) 3.756 24.813 ( 0.451 -3.725 0.180) 3.756 24.838 ( -0.241 -4.301 -1.590) 4.592 24.838 ( -0.241 -4.301 1.590) 4.592 25.306 ( 0.005 1.722 -1.374) 2.203 25.306 ( 0.005 1.722 1.374) 2.203 25.341 ( 0.209 0.213 -1.286) 1.320 25.341 ( 0.209 0.213 1.286) 1.320 25.459 ( -0.192 -1.909 -0.256) 1.936 25.459 ( -0.192 -1.909 0.256) 1.936 25.515 ( -0.151 -3.911 -0.156) 3.917 25.515 ( -0.151 -3.911 0.156) 3.917 25.892 ( 0.051 2.322 -0.431) 2.362 25.892 ( 0.051 2.322 0.431) 2.362 25.948 ( -0.352 -0.386 -1.744) 1.821 25.948 ( -0.352 -0.386 1.744) 1.821 26.256 ( -0.049 2.422 -0.401) 2.456 26.256 ( -0.049 2.422 0.401) 2.456 26.293 ( 0.063 0.896 -0.189) 0.918 26.293 ( 0.063 0.896 0.189) 0.918 26.490 ( 0.435 -1.616 -0.429) 1.727 26.490 ( 0.435 -1.616 0.429) 1.727 26.506 ( -0.283 -1.898 -0.497) 1.982 26.506 ( -0.283 -1.898 0.497) 1.982 26.892 ( 0.530 3.103 -0.149) 3.152 26.892 ( 0.530 3.103 0.149) 3.152 26.908 ( -0.533 3.148 -0.070) 3.194 26.908 ( -0.533 3.148 0.070) 3.194 27.360 ( 0.084 0.498 -0.086) 0.512 27.360 ( 0.084 0.498 0.086) 0.512 27.381 ( -0.087 -0.097 -0.194) 0.234 27.381 ( -0.087 -0.097 0.194) 0.234 28.195 ( -0.131 -0.699 -0.094) 0.717 28.195 ( -0.131 -0.699 0.094) 0.717 28.242 ( 0.103 -2.920 -0.213) 2.929 28.242 ( 0.103 -2.920 0.213) 2.929 28.881 ( 0.937 -0.696 -0.919) 1.486 28.881 ( 0.937 -0.696 0.919) 1.486 28.907 ( -1.135 -1.159 -1.028) 1.920 28.907 ( -1.135 -1.159 1.028) 1.920 29.255 ( 0.265 1.903 -0.620) 2.019 29.255 ( 0.265 1.903 0.620) 2.019 29.261 ( -0.129 2.133 -0.539) 2.203 29.261 ( -0.129 2.133 0.539) 2.203 29.718 ( -0.056 -3.022 -0.247) 3.033 29.718 ( -0.056 -3.022 0.247) 3.033 29.744 ( 0.127 -3.959 -0.183) 3.965 29.744 ( 0.127 -3.959 0.183) 3.965 ======================= Grid point 175 (58/60) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.107 ( 0.000 -0.000 -0.000) 0.000 4.107 ( 0.000 -0.000 0.000) 0.000 4.113 ( 0.000 0.000 -0.000) 0.000 4.113 ( 0.000 0.000 0.000) 0.000 5.994 ( 0.000 0.000 0.000) 0.000 5.994 ( 0.000 0.000 0.000) 0.000 6.814 ( 0.000 0.000 -0.000) 0.000 6.814 ( 0.000 0.000 0.000) 0.000 6.831 ( 0.000 -0.000 -0.000) 0.000 6.831 ( 0.000 -0.000 0.000) 0.000 7.295 ( 0.000 0.000 -0.000) 0.000 7.295 ( 0.000 0.000 0.000) 0.000 7.558 ( 0.000 0.000 0.000) 0.000 7.558 ( 0.000 0.000 0.000) 0.000 8.167 ( 0.000 0.000 0.000) 0.000 8.167 ( 0.000 0.000 0.000) 0.000 8.415 ( 0.000 -0.000 0.000) 0.000 8.415 ( 0.000 0.000 0.000) 0.000 8.655 ( 0.000 0.000 0.000) 0.000 8.655 ( 0.000 0.000 0.000) 0.000 9.093 ( 0.000 0.000 -0.000) 0.000 9.093 ( 0.000 0.000 0.000) 0.000 9.247 ( 0.000 0.000 0.000) 0.000 9.247 ( 0.000 0.000 0.000) 0.000 9.564 ( 0.000 -0.000 -0.000) 0.000 9.564 ( 0.000 0.000 0.000) 0.000 9.645 ( 0.000 0.000 0.000) 0.000 9.645 ( 0.000 0.000 0.000) 0.000 9.843 ( 0.000 0.000 0.000) 0.000 9.843 ( 0.000 0.000 0.000) 0.000 10.038 ( 0.000 0.000 -0.000) 0.000 10.038 ( 0.000 -0.000 0.000) 0.000 10.466 ( 0.000 0.000 0.000) 0.000 10.466 ( 0.000 0.000 0.000) 0.000 11.209 ( 0.000 0.000 0.000) 0.000 11.209 ( 0.000 0.000 0.000) 0.000 11.274 ( 0.000 0.000 0.000) 0.000 11.274 ( 0.000 0.000 -0.000) 0.000 11.455 ( 0.000 0.000 0.000) 0.000 11.455 ( 0.000 0.000 0.000) 0.000 12.263 ( 0.000 0.000 0.000) 0.000 12.263 ( 0.000 -0.000 0.000) 0.000 12.282 ( 0.000 -0.000 0.000) 0.000 12.282 ( 0.000 0.000 0.000) 0.000 12.351 ( 0.000 0.000 0.000) 0.000 12.351 ( 0.000 0.000 0.000) 0.000 12.713 ( 0.000 -0.000 0.000) 0.000 12.713 ( 0.000 0.000 0.000) 0.000 13.020 ( 0.000 -0.000 -0.000) 0.000 13.020 ( 0.000 -0.000 0.000) 0.000 13.232 ( 0.000 0.000 0.000) 0.000 13.232 ( 0.000 0.000 0.000) 0.000 13.704 ( 0.000 -0.000 0.000) 0.000 13.704 ( 0.000 0.000 0.000) 0.000 13.927 ( 0.000 0.000 0.000) 0.000 13.927 ( 0.000 0.000 0.000) 0.000 14.765 ( 0.000 0.000 0.000) 0.000 14.765 ( 0.000 0.000 0.000) 0.000 14.866 ( 0.000 0.000 0.000) 0.000 14.866 ( 0.000 0.000 0.000) 0.000 15.405 ( 0.000 0.000 0.000) 0.000 15.405 ( 0.000 0.000 0.000) 0.000 15.577 ( 0.000 0.000 -0.000) 0.000 15.577 ( 0.000 0.000 0.000) 0.000 16.584 ( 0.000 0.000 0.000) 0.000 16.584 ( 0.000 0.000 0.000) 0.000 16.637 ( 0.000 0.000 0.000) 0.000 16.637 ( 0.000 0.000 0.000) 0.000 16.830 ( 0.000 0.000 0.000) 0.000 16.830 ( 0.000 0.000 0.000) 0.000 16.974 ( 0.000 0.000 -0.000) 0.000 16.974 ( 0.000 0.000 0.000) 0.000 16.983 ( 0.000 -0.000 -0.000) 0.000 16.983 ( 0.000 -0.000 0.000) 0.000 17.145 ( 0.000 0.000 0.000) 0.000 17.145 ( 0.000 0.000 0.000) 0.000 17.773 ( 0.000 0.000 -0.000) 0.000 17.773 ( 0.000 0.000 0.000) 0.000 17.894 ( 0.000 0.000 0.000) 0.000 17.894 ( 0.000 0.000 0.000) 0.000 18.272 ( 0.000 0.000 -0.000) 0.000 18.272 ( 0.000 0.000 0.000) 0.000 18.291 ( 0.000 0.000 0.000) 0.000 18.291 ( 0.000 0.000 0.000) 0.000 18.943 ( 0.000 0.000 -0.000) 0.000 18.943 ( 0.000 0.000 0.000) 0.000 18.985 ( 0.000 0.000 0.000) 0.000 18.985 ( 0.000 0.000 0.000) 0.000 20.151 ( 0.000 -0.000 0.000) 0.000 20.151 ( 0.000 0.000 0.000) 0.000 20.168 ( 0.000 0.000 0.000) 0.000 20.168 ( 0.000 -0.000 0.000) 0.000 20.205 ( 0.000 0.000 -0.000) 0.000 20.205 ( 0.000 0.000 -0.000) 0.000 20.327 ( 0.000 0.000 -0.000) 0.000 20.327 ( 0.000 0.000 0.000) 0.000 20.750 ( 0.000 0.000 0.000) 0.000 20.750 ( 0.000 0.000 0.000) 0.000 20.925 ( 0.000 0.000 0.000) 0.000 20.925 ( 0.000 0.000 0.000) 0.000 21.496 ( 0.000 0.000 -0.000) 0.000 21.496 ( 0.000 0.000 0.000) 0.000 21.625 ( 0.000 0.000 0.000) 0.000 21.625 ( 0.000 0.000 0.000) 0.000 21.705 ( 0.000 0.000 -0.000) 0.000 21.705 ( 0.000 -0.000 0.000) 0.000 21.709 ( 0.000 0.000 -0.000) 0.000 21.709 ( 0.000 0.000 0.000) 0.000 21.762 ( 0.000 0.000 -0.000) 0.000 21.762 ( 0.000 0.000 0.000) 0.000 21.814 ( 0.000 -0.000 -0.000) 0.000 21.814 ( 0.000 -0.000 0.000) 0.000 22.111 ( 0.000 0.000 0.000) 0.000 22.111 ( 0.000 0.000 0.000) 0.000 22.204 ( 0.000 0.000 0.000) 0.000 22.204 ( 0.000 0.000 0.000) 0.000 22.462 ( 0.000 -0.000 0.000) 0.000 22.462 ( 0.000 0.000 0.000) 0.000 22.472 ( 0.000 -0.000 0.000) 0.000 22.472 ( 0.000 0.000 0.000) 0.000 22.746 ( 0.000 0.000 0.000) 0.000 22.746 ( 0.000 0.000 -0.000) 0.000 22.857 ( 0.000 0.000 0.000) 0.000 22.857 ( 0.000 0.000 0.000) 0.000 23.645 ( 0.000 0.000 0.000) 0.000 23.645 ( 0.000 0.000 0.000) 0.000 23.739 ( 0.000 0.000 0.000) 0.000 23.739 ( 0.000 0.000 0.000) 0.000 24.081 ( 0.000 0.000 0.000) 0.000 24.081 ( 0.000 0.000 0.000) 0.000 24.167 ( 0.000 0.000 0.000) 0.000 24.167 ( 0.000 0.000 0.000) 0.000 24.762 ( 0.000 0.000 -0.000) 0.000 24.762 ( 0.000 0.000 0.000) 0.000 24.791 ( 0.000 0.000 0.000) 0.000 24.791 ( 0.000 -0.000 0.000) 0.000 25.294 ( 0.000 0.000 0.000) 0.000 25.294 ( 0.000 0.000 0.000) 0.000 25.357 ( 0.000 0.000 0.000) 0.000 25.357 ( 0.000 0.000 0.000) 0.000 25.451 ( 0.000 0.000 0.000) 0.000 25.451 ( 0.000 0.000 0.000) 0.000 25.478 ( 0.000 0.000 -0.000) 0.000 25.478 ( 0.000 -0.000 0.000) 0.000 25.936 ( 0.000 0.000 -0.000) 0.000 25.936 ( 0.000 0.000 0.000) 0.000 25.948 ( 0.000 0.000 0.000) 0.000 25.948 ( 0.000 -0.000 0.000) 0.000 26.279 ( 0.000 0.000 0.000) 0.000 26.279 ( 0.000 0.000 0.000) 0.000 26.306 ( 0.000 0.000 0.000) 0.000 26.306 ( 0.000 0.000 0.000) 0.000 26.447 ( 0.000 0.000 0.000) 0.000 26.447 ( 0.000 0.000 0.000) 0.000 26.499 ( 0.000 0.000 0.000) 0.000 26.499 ( 0.000 0.000 0.000) 0.000 26.908 ( 0.000 0.000 0.000) 0.000 26.908 ( 0.000 0.000 0.000) 0.000 26.965 ( 0.000 0.000 0.000) 0.000 26.965 ( 0.000 0.000 0.000) 0.000 27.343 ( 0.000 0.000 0.000) 0.000 27.343 ( 0.000 0.000 0.000) 0.000 27.399 ( 0.000 0.000 0.000) 0.000 27.399 ( 0.000 0.000 0.000) 0.000 28.182 ( 0.000 0.000 0.000) 0.000 28.182 ( 0.000 0.000 0.000) 0.000 28.216 ( 0.000 0.000 0.000) 0.000 28.216 ( 0.000 0.000 0.000) 0.000 28.854 ( 0.000 0.000 0.000) 0.000 28.854 ( 0.000 0.000 0.000) 0.000 28.924 ( 0.000 0.000 0.000) 0.000 28.924 ( 0.000 0.000 0.000) 0.000 29.266 ( 0.000 0.000 0.000) 0.000 29.266 ( 0.000 0.000 -0.000) 0.000 29.295 ( 0.000 0.000 0.000) 0.000 29.295 ( 0.000 0.000 0.000) 0.000 29.682 ( 0.000 0.000 0.000) 0.000 29.682 ( 0.000 0.000 -0.000) 0.000 29.694 ( 0.000 0.000 0.000) 0.000 29.694 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 179 (59/60) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.109 ( 0.220 -0.000 -0.000) 0.220 4.109 ( 0.220 -0.000 0.000) 0.220 4.115 ( 0.119 0.000 -0.000) 0.119 4.115 ( 0.119 0.000 0.000) 0.119 6.036 ( 4.410 0.000 0.000) 4.410 6.036 ( 4.410 0.000 0.000) 4.410 6.714 ( -12.624 0.000 -0.000) 12.624 6.714 ( -12.624 0.000 0.000) 12.624 6.768 ( -4.798 -0.000 0.000) 4.798 6.768 ( -4.798 -0.000 0.000) 4.798 7.047 ( -16.629 -0.000 -0.000) 16.629 7.047 ( -16.629 -0.000 0.000) 16.629 7.653 ( 8.527 0.000 0.000) 8.527 7.653 ( 8.527 0.000 0.000) 8.527 8.297 ( 8.888 -0.000 0.000) 8.888 8.297 ( 8.888 0.000 -0.000) 8.888 8.339 ( -7.706 -0.000 0.000) 7.706 8.339 ( -7.706 -0.000 0.000) 7.706 8.670 ( -0.804 0.000 0.000) 0.804 8.670 ( -0.804 0.000 0.000) 0.804 9.045 ( -16.459 -0.000 -0.000) 16.459 9.045 ( -16.459 0.000 -0.000) 16.459 9.057 ( -5.691 -0.000 0.000) 5.691 9.057 ( -5.691 0.000 0.000) 5.691 9.581 ( 7.535 -0.000 0.000) 7.535 9.581 ( 7.535 0.000 0.000) 7.535 9.683 ( 8.319 -0.000 0.000) 8.319 9.683 ( 8.319 0.000 0.000) 8.319 10.159 ( 24.701 -0.000 0.000) 24.701 10.159 ( 24.701 0.000 0.000) 24.701 10.234 ( 16.331 -0.000 0.000) 16.331 10.234 ( 16.331 0.000 0.000) 16.331 10.566 ( 8.786 0.000 0.000) 8.786 10.566 ( 8.786 0.000 0.000) 8.786 11.039 ( -13.337 0.000 0.000) 13.337 11.039 ( -13.337 0.000 0.000) 13.337 11.255 ( 4.962 0.000 0.000) 4.962 11.255 ( 4.962 0.000 0.000) 4.962 11.660 ( 9.552 0.000 0.000) 9.552 11.660 ( 9.552 0.000 0.000) 9.552 12.096 ( -16.689 -0.000 0.000) 16.689 12.096 ( -16.689 0.000 0.000) 16.689 12.206 ( -10.369 0.000 0.000) 10.369 12.206 ( -10.369 0.000 0.000) 10.369 12.408 ( 6.097 -0.000 0.000) 6.097 12.408 ( 6.097 0.000 0.000) 6.097 12.640 ( -3.927 -0.000 0.000) 3.927 12.640 ( -3.927 0.000 0.000) 3.927 13.028 ( 0.010 -0.000 -0.000) 0.010 13.028 ( 0.010 -0.000 0.000) 0.010 13.176 ( -5.245 0.000 0.000) 5.245 13.176 ( -5.245 0.000 0.000) 5.245 13.720 ( 1.615 -0.000 0.000) 1.615 13.720 ( 1.615 0.000 0.000) 1.615 13.907 ( -2.326 0.000 0.000) 2.326 13.907 ( -2.326 0.000 0.000) 2.326 14.811 ( 4.484 0.000 0.000) 4.484 14.811 ( 4.484 0.000 0.000) 4.484 14.905 ( 3.332 0.000 0.000) 3.332 14.905 ( 3.332 0.000 0.000) 3.332 15.408 ( 0.597 0.000 0.000) 0.597 15.408 ( 0.597 0.000 0.000) 0.597 15.553 ( -2.454 0.000 -0.000) 2.454 15.553 ( -2.454 0.000 0.000) 2.454 16.540 ( -6.982 -0.000 -0.000) 6.982 16.540 ( -6.982 -0.000 0.000) 6.982 16.547 ( -3.699 0.000 -0.000) 3.699 16.547 ( -3.699 0.000 0.000) 3.699 16.859 ( 1.096 -0.000 0.000) 1.096 16.859 ( 1.096 0.000 0.000) 1.096 16.928 ( -3.409 0.000 0.000) 3.409 16.928 ( -3.409 0.000 0.000) 3.409 17.047 ( 5.746 -0.000 -0.000) 5.746 17.047 ( 5.746 0.000 0.000) 5.746 17.177 ( 2.008 0.000 0.000) 2.008 17.177 ( 2.008 0.000 0.000) 2.008 17.799 ( 2.633 0.000 -0.000) 2.633 17.799 ( 2.633 0.000 0.000) 2.633 17.897 ( 0.159 0.000 0.000) 0.159 17.897 ( 0.159 0.000 0.000) 0.159 18.275 ( 0.304 0.000 -0.000) 0.304 18.275 ( 0.304 0.000 0.000) 0.304 18.290 ( -0.079 0.000 0.000) 0.079 18.290 ( -0.079 0.000 0.000) 0.079 18.947 ( 0.474 0.000 -0.000) 0.474 18.947 ( 0.474 0.000 0.000) 0.474 18.981 ( -0.411 0.000 0.000) 0.411 18.981 ( -0.411 0.000 0.000) 0.411 20.102 ( -4.242 -0.000 0.000) 4.242 20.102 ( -4.242 0.000 0.000) 4.242 20.103 ( -3.988 -0.000 -0.000) 3.988 20.103 ( -3.988 0.000 -0.000) 3.988 20.268 ( 4.088 0.000 0.000) 4.088 20.268 ( 4.088 0.000 0.000) 4.088 20.353 ( 1.817 0.000 0.000) 1.817 20.353 ( 1.817 0.000 0.000) 1.817 20.781 ( 3.076 0.000 0.000) 3.076 20.781 ( 3.076 0.000 0.000) 3.076 20.917 ( -0.945 0.000 0.000) 0.945 20.917 ( -0.945 0.000 0.000) 0.945 21.477 ( -1.469 0.000 0.000) 1.469 21.477 ( -1.469 0.000 0.000) 1.469 21.578 ( -4.018 0.000 0.000) 4.018 21.578 ( -4.018 0.000 0.000) 4.018 21.706 ( -0.234 0.000 -0.000) 0.234 21.706 ( -0.234 0.000 0.000) 0.234 21.708 ( 0.097 -0.000 -0.000) 0.097 21.708 ( 0.097 -0.000 0.000) 0.097 21.796 ( 2.648 0.000 0.000) 2.648 21.796 ( 2.648 0.000 0.000) 2.648 21.825 ( 0.978 -0.000 -0.000) 0.978 21.825 ( 0.978 -0.000 0.000) 0.978 22.125 ( 1.389 0.000 0.000) 1.389 22.125 ( 1.389 0.000 0.000) 1.389 22.197 ( -0.720 -0.000 0.000) 0.720 22.197 ( -0.720 0.000 0.000) 0.720 22.461 ( -0.140 -0.000 0.000) 0.140 22.461 ( -0.140 0.000 0.000) 0.140 22.469 ( -0.354 -0.000 0.000) 0.354 22.469 ( -0.354 0.000 0.000) 0.354 22.762 ( 1.631 0.000 0.000) 1.631 22.762 ( 1.631 0.000 -0.000) 1.631 22.851 ( -0.701 0.000 0.000) 0.701 22.851 ( -0.701 0.000 0.000) 0.701 23.652 ( 0.759 -0.000 0.000) 0.759 23.652 ( 0.759 0.000 0.000) 0.759 23.729 ( -1.081 0.000 0.000) 1.081 23.729 ( -1.081 0.000 0.000) 1.081 24.091 ( 1.073 0.000 0.000) 1.073 24.091 ( 1.073 0.000 0.000) 1.073 24.161 ( -0.660 0.000 0.000) 0.660 24.161 ( -0.660 0.000 0.000) 0.660 24.767 ( 0.483 0.000 -0.000) 0.483 24.767 ( 0.483 0.000 0.000) 0.483 24.790 ( -0.130 0.000 -0.000) 0.130 24.790 ( -0.130 0.000 0.000) 0.130 25.303 ( 0.900 0.000 0.000) 0.900 25.303 ( 0.900 0.000 0.000) 0.900 25.356 ( -0.159 0.000 0.000) 0.159 25.356 ( -0.159 0.000 0.000) 0.159 25.449 ( -0.195 0.000 0.000) 0.195 25.449 ( -0.195 0.000 0.000) 0.195 25.472 ( -0.597 0.000 -0.000) 0.597 25.472 ( -0.597 -0.000 0.000) 0.597 25.933 ( -0.297 0.000 -0.000) 0.297 25.933 ( -0.297 0.000 0.000) 0.297 25.942 ( -0.566 0.000 -0.000) 0.566 25.942 ( -0.566 -0.000 0.000) 0.566 26.281 ( 0.237 0.000 0.000) 0.237 26.281 ( 0.237 0.000 0.000) 0.237 26.304 ( -0.153 0.000 0.000) 0.153 26.304 ( -0.153 0.000 0.000) 0.153 26.455 ( 0.777 0.000 0.000) 0.777 26.455 ( 0.777 0.000 0.000) 0.777 26.496 ( -0.398 0.000 0.000) 0.398 26.496 ( -0.398 0.000 0.000) 0.398 26.913 ( 0.527 0.000 0.000) 0.527 26.913 ( 0.527 0.000 0.000) 0.527 26.959 ( -0.638 0.000 0.000) 0.638 26.959 ( -0.638 0.000 0.000) 0.638 27.349 ( 0.603 0.000 0.000) 0.603 27.349 ( 0.603 0.000 0.000) 0.603 27.394 ( -0.527 0.000 0.000) 0.527 27.394 ( -0.527 0.000 0.000) 0.527 28.185 ( 0.338 0.000 0.000) 0.338 28.185 ( 0.338 0.000 0.000) 0.338 28.212 ( -0.357 0.000 0.000) 0.357 28.212 ( -0.357 0.000 0.000) 0.357 28.859 ( 0.555 0.000 0.000) 0.555 28.859 ( 0.555 0.000 0.000) 0.555 28.915 ( -0.882 0.000 0.000) 0.882 28.915 ( -0.882 0.000 0.000) 0.882 29.270 ( 0.365 0.000 0.000) 0.365 29.270 ( 0.365 0.000 -0.000) 0.365 29.293 ( -0.198 0.000 0.000) 0.198 29.293 ( -0.198 0.000 0.000) 0.198 29.685 ( 0.209 0.000 0.000) 0.209 29.685 ( 0.209 0.000 -0.000) 0.209 29.694 ( -0.018 0.000 0.000) 0.018 29.694 ( -0.018 0.000 0.000) 0.018 ======================= Grid point 183 (60/60) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.114 ( 0.250 -0.000 -0.000) 0.250 4.114 ( 0.250 -0.000 0.000) 0.250 4.116 ( -0.012 0.000 -0.000) 0.012 4.116 ( -0.012 0.000 0.000) 0.012 6.155 ( 9.247 0.000 0.000) 9.247 6.155 ( 9.247 0.000 0.000) 9.247 6.399 ( -17.536 0.000 0.000) 17.536 6.399 ( -17.536 0.000 0.000) 17.536 6.736 ( 2.204 0.000 0.000) 2.204 6.736 ( 2.204 0.000 0.000) 2.204 6.836 ( -8.082 -0.000 0.000) 8.082 6.836 ( -8.082 -0.000 0.000) 8.082 7.865 ( 14.435 0.000 -0.000) 14.435 7.865 ( 14.435 0.000 0.000) 14.435 8.139 ( -14.088 0.000 -0.000) 14.088 8.139 ( -14.088 0.000 0.000) 14.088 8.424 ( 6.111 -0.000 0.000) 6.111 8.424 ( 6.111 0.000 0.000) 6.111 8.563 ( -9.289 -0.000 0.000) 9.289 8.563 ( -9.289 0.000 0.000) 9.289 8.872 ( -1.325 0.000 -0.000) 1.325 8.872 ( -1.325 0.000 -0.000) 1.325 8.928 ( -6.325 -0.000 0.000) 6.325 8.928 ( -6.325 0.000 0.000) 6.325 9.763 ( 9.647 -0.000 0.000) 9.647 9.763 ( 9.647 0.000 0.000) 9.647 9.839 ( 3.414 -0.000 0.000) 3.414 9.839 ( 3.414 0.000 0.000) 3.414 10.504 ( 10.651 0.000 0.000) 10.651 10.504 ( 10.651 0.000 0.000) 10.651 10.546 ( 9.771 -0.000 0.000) 9.771 10.546 ( 9.771 -0.000 0.000) 9.771 10.743 ( 13.265 0.000 0.000) 13.265 10.743 ( 13.265 0.000 0.000) 13.265 10.900 ( -2.951 0.000 -0.000) 2.951 10.900 ( -2.951 0.000 0.000) 2.951 11.389 ( 10.296 0.000 0.000) 10.296 11.389 ( 10.296 0.000 0.000) 10.296 11.670 ( -16.092 -0.000 -0.000) 16.092 11.670 ( -16.092 0.000 0.000) 16.092 11.782 ( -3.892 -0.000 0.000) 3.892 11.782 ( -3.892 0.000 0.000) 3.892 11.923 ( -16.126 -0.000 0.000) 16.126 11.923 ( -16.126 0.000 0.000) 16.126 12.563 ( 8.549 -0.000 0.000) 8.549 12.563 ( 8.549 -0.000 0.000) 8.549 12.634 ( 0.670 0.000 0.000) 0.670 12.634 ( 0.670 0.000 0.000) 0.670 13.018 ( -0.078 -0.000 0.000) 0.078 13.018 ( -0.078 0.000 0.000) 0.078 13.070 ( -5.561 0.000 0.000) 5.561 13.070 ( -5.561 0.000 0.000) 5.561 13.767 ( 3.619 0.000 0.000) 3.619 13.767 ( 3.619 0.000 0.000) 3.619 13.844 ( -4.361 -0.000 0.000) 4.361 13.844 ( -4.361 0.000 0.000) 4.361 14.898 ( 4.295 0.000 0.000) 4.295 14.898 ( 4.295 0.000 0.000) 4.295 14.942 ( -0.106 -0.000 0.000) 0.106 14.942 ( -0.106 0.000 0.000) 0.106 15.436 ( 2.562 -0.000 0.000) 2.562 15.436 ( 2.562 0.000 0.000) 2.562 15.495 ( -3.605 0.000 -0.000) 3.605 15.495 ( -3.605 0.000 0.000) 3.605 16.453 ( -1.823 -0.000 -0.000) 1.823 16.453 ( -1.823 0.000 0.000) 1.823 16.473 ( -3.458 0.000 -0.000) 3.458 16.473 ( -3.458 0.000 0.000) 3.458 16.868 ( 0.332 -0.000 0.000) 0.332 16.868 ( 0.332 0.000 0.000) 0.332 16.882 ( -1.518 -0.000 0.000) 1.518 16.882 ( -1.518 0.000 0.000) 1.518 17.143 ( 4.118 -0.000 0.000) 4.118 17.143 ( 4.118 0.000 0.000) 4.118 17.189 ( -0.903 -0.000 0.000) 0.903 17.189 ( -0.903 0.000 0.000) 0.903 17.853 ( 2.904 0.000 -0.000) 2.904 17.853 ( 2.904 0.000 0.000) 2.904 17.891 ( -1.077 0.000 0.000) 1.077 17.891 ( -1.077 0.000 0.000) 1.077 18.281 ( 0.382 0.000 -0.000) 0.382 18.281 ( 0.382 0.000 0.000) 0.382 18.287 ( -0.232 0.000 0.000) 0.232 18.287 ( -0.232 0.000 0.000) 0.232 18.958 ( 0.700 0.000 -0.000) 0.700 18.958 ( 0.700 0.000 0.000) 0.700 18.971 ( -0.635 0.000 0.000) 0.635 18.971 ( -0.635 0.000 0.000) 0.635 20.042 ( -1.888 -0.000 0.000) 1.888 20.042 ( -1.888 0.000 0.000) 1.888 20.043 ( -1.992 -0.000 -0.000) 1.992 20.043 ( -1.992 0.000 0.000) 1.992 20.335 ( 2.979 0.000 0.000) 2.979 20.335 ( 2.979 0.000 0.000) 2.979 20.368 ( -0.476 -0.000 0.000) 0.476 20.368 ( -0.476 0.000 0.000) 0.476 20.842 ( 3.205 0.000 -0.000) 3.205 20.842 ( 3.205 0.000 0.000) 3.205 20.890 ( -2.013 0.000 -0.000) 2.013 20.890 ( -2.013 0.000 0.000) 2.013 21.466 ( 0.726 -0.000 0.000) 0.726 21.466 ( 0.726 0.000 0.000) 0.726 21.506 ( -3.421 -0.000 0.000) 3.421 21.506 ( -3.421 0.000 0.000) 3.421 21.704 ( 0.004 -0.000 0.000) 0.004 21.704 ( 0.004 0.000 0.000) 0.004 21.706 ( -0.205 -0.000 -0.000) 0.205 21.706 ( -0.205 0.000 0.000) 0.205 21.834 ( 1.226 0.000 0.000) 1.226 21.834 ( 1.226 0.000 0.000) 1.226 21.840 ( 0.431 -0.000 -0.000) 0.431 21.840 ( 0.431 0.000 0.000) 0.431 22.154 ( 1.628 0.000 0.000) 1.628 22.154 ( 1.628 0.000 0.000) 1.628 22.180 ( -1.176 -0.000 -0.000) 1.176 22.180 ( -1.176 0.000 0.000) 1.176 22.459 ( 0.015 -0.000 -0.000) 0.015 22.459 ( 0.015 0.000 0.000) 0.015 22.462 ( -0.317 -0.000 0.000) 0.317 22.462 ( -0.317 0.000 0.000) 0.317 22.797 ( 2.060 0.000 -0.000) 2.060 22.797 ( 2.060 0.000 0.000) 2.060 22.831 ( -1.524 0.000 0.000) 1.524 22.831 ( -1.524 0.000 0.000) 1.524 23.673 ( 1.465 -0.000 0.000) 1.465 23.673 ( 1.465 0.000 0.000) 1.465 23.703 ( -1.668 0.000 0.000) 1.668 23.703 ( -1.668 0.000 0.000) 1.668 24.116 ( 1.570 -0.000 0.000) 1.570 24.116 ( 1.570 0.000 0.000) 1.570 24.143 ( -1.304 0.000 0.000) 1.304 24.143 ( -1.304 0.000 0.000) 1.304 24.777 ( 0.583 0.000 -0.000) 0.583 24.777 ( 0.583 0.000 0.000) 0.583 24.786 ( -0.373 -0.000 -0.000) 0.373 24.786 ( -0.373 0.000 0.000) 0.373 25.325 ( 1.379 0.000 0.000) 1.379 25.325 ( 1.379 0.000 0.000) 1.379 25.347 ( -0.914 -0.000 0.000) 0.914 25.347 ( -0.914 0.000 0.000) 0.914 25.449 ( 0.259 0.000 0.000) 0.259 25.449 ( 0.259 0.000 0.000) 0.259 25.459 ( -0.749 -0.000 -0.000) 0.749 25.459 ( -0.749 0.000 0.000) 0.749 25.928 ( -0.083 0.000 -0.000) 0.083 25.928 ( -0.083 0.000 0.000) 0.083 25.932 ( -0.459 -0.000 -0.000) 0.459 25.932 ( -0.459 -0.000 0.000) 0.459 26.289 ( 0.569 0.000 0.000) 0.569 26.289 ( 0.569 0.000 0.000) 0.569 26.299 ( -0.478 -0.000 0.000) 0.478 26.299 ( -0.478 0.000 0.000) 0.478 26.471 ( 0.895 -0.000 0.000) 0.895 26.471 ( 0.895 0.000 0.000) 0.895 26.485 ( -0.692 -0.000 0.000) 0.692 26.485 ( -0.692 0.000 0.000) 0.692 26.926 ( 0.904 0.000 0.000) 0.904 26.926 ( 0.904 0.000 0.000) 0.904 26.944 ( -0.972 0.000 -0.000) 0.972 26.944 ( -0.972 0.000 0.000) 0.972 27.363 ( 0.940 0.000 0.000) 0.940 27.363 ( 0.940 0.000 0.000) 0.940 27.381 ( -0.893 0.000 0.000) 0.893 27.381 ( -0.893 0.000 0.000) 0.893 28.193 ( 0.553 -0.000 0.000) 0.553 28.193 ( 0.553 0.000 0.000) 0.553 28.204 ( -0.564 0.000 0.000) 0.564 28.204 ( -0.564 0.000 0.000) 0.564 28.873 ( 1.049 0.000 0.000) 1.049 28.873 ( 1.049 0.000 0.000) 1.049 28.895 ( -1.249 0.000 0.000) 1.249 28.895 ( -1.249 0.000 0.000) 1.249 29.278 ( 0.518 0.000 0.000) 0.518 29.278 ( 0.518 0.000 -0.000) 0.518 29.287 ( -0.417 0.000 0.000) 0.417 29.287 ( -0.417 0.000 0.000) 0.417 29.689 ( 0.244 -0.000 0.000) 0.244 29.689 ( 0.244 0.000 -0.000) 0.244 29.692 ( -0.126 -0.000 0.000) 0.126 29.692 ( -0.126 0.000 0.000) 0.126 =================== 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 3/43200 10.0 1424.587 239.689 182.307 0.000 0.000 -0.000 3/43200 20.0 2883.356 1635.390 1281.799 0.000 0.000 -0.000 3/43200 30.0 1091.894 970.833 756.968 0.000 0.000 -0.000 3/43200 40.0 529.303 453.219 433.779 0.000 0.000 -0.000 3/43200 50.0 307.006 248.459 289.422 0.000 0.000 -0.000 3/43200 60.0 202.419 160.246 207.543 0.000 0.000 -0.000 3/43200 70.0 145.544 115.498 156.602 0.000 0.000 -0.000 3/43200 80.0 111.130 89.566 123.139 0.000 0.000 -0.000 3/43200 90.0 88.653 72.986 100.111 0.000 0.000 -0.000 3/43200 100.0 73.108 61.584 83.603 0.000 0.000 -0.000 3/43200 110.0 61.859 53.295 71.342 0.000 0.000 -0.000 3/43200 120.0 53.413 47.000 61.957 0.000 0.000 -0.000 3/43200 130.0 46.871 42.048 54.584 0.000 0.000 -0.000 3/43200 140.0 41.670 38.041 48.662 0.000 0.000 -0.000 3/43200 150.0 37.445 34.723 43.813 0.000 0.000 -0.000 3/43200 160.0 33.948 31.924 39.778 0.000 0.000 -0.000 3/43200 170.0 31.009 29.527 36.375 0.000 0.000 -0.000 3/43200 180.0 28.507 27.450 33.469 0.000 0.000 -0.000 3/43200 190.0 26.352 25.630 30.964 0.000 0.000 -0.000 3/43200 200.0 24.479 24.024 28.784 0.000 0.000 -0.000 3/43200 210.0 22.837 22.597 26.874 0.000 0.000 -0.000 3/43200 220.0 21.388 21.320 25.187 0.000 0.000 -0.000 3/43200 230.0 20.101 20.172 23.690 0.000 0.000 -0.000 3/43200 240.0 18.952 19.136 22.352 0.000 0.000 -0.000 3/43200 250.0 17.920 18.196 21.152 0.000 0.000 -0.000 3/43200 260.0 16.990 17.340 20.070 0.000 0.000 -0.000 3/43200 270.0 16.147 16.559 19.091 0.000 0.000 -0.000 3/43200 280.0 15.380 15.843 18.201 0.000 0.000 -0.000 3/43200 290.0 14.681 15.184 17.389 0.000 0.000 -0.000 3/43200 300.0 14.041 14.578 16.646 0.000 0.000 -0.000 3/43200 310.0 13.453 14.017 15.964 0.000 0.000 -0.000 3/43200 320.0 12.911 13.497 15.335 0.000 0.000 -0.000 3/43200 330.0 12.411 13.014 14.754 0.000 0.000 -0.000 3/43200 340.0 11.947 12.565 14.217 0.000 0.000 -0.000 3/43200 350.0 11.517 12.145 13.717 0.000 0.000 -0.000 3/43200 360.0 11.116 11.753 13.253 0.000 0.000 -0.000 3/43200 370.0 10.742 11.386 12.819 0.000 0.000 -0.000 3/43200 380.0 10.393 11.041 12.414 0.000 0.000 -0.000 3/43200 390.0 10.066 10.716 12.034 0.000 0.000 -0.000 3/43200 400.0 9.759 10.411 11.677 0.000 0.000 -0.000 3/43200 410.0 9.470 10.123 11.342 0.000 0.000 -0.000 3/43200 420.0 9.199 9.851 11.026 0.000 0.000 -0.000 3/43200 430.0 8.942 9.593 10.727 0.000 0.000 -0.000 3/43200 440.0 8.700 9.349 10.445 0.000 0.000 -0.000 3/43200 450.0 8.471 9.117 10.179 0.000 0.000 -0.000 3/43200 460.0 8.254 8.897 9.925 0.000 0.000 -0.000 3/43200 470.0 8.047 8.687 9.685 0.000 0.000 -0.000 3/43200 480.0 7.852 8.488 9.457 0.000 0.000 -0.000 3/43200 490.0 7.665 8.297 9.239 0.000 0.000 -0.000 3/43200 500.0 7.488 8.115 9.032 0.000 0.000 -0.000 3/43200 510.0 7.319 7.942 8.834 0.000 0.000 -0.000 3/43200 520.0 7.157 7.776 8.645 0.000 0.000 -0.000 3/43200 530.0 7.003 7.616 8.465 0.000 0.000 -0.000 3/43200 540.0 6.855 7.464 8.292 0.000 0.000 -0.000 3/43200 550.0 6.714 7.317 8.126 0.000 0.000 -0.000 3/43200 560.0 6.578 7.177 7.967 0.000 0.000 -0.000 3/43200 570.0 6.448 7.042 7.815 0.000 0.000 -0.000 3/43200 580.0 6.324 6.912 7.668 0.000 0.000 -0.000 3/43200 590.0 6.204 6.787 7.527 0.000 0.000 -0.000 3/43200 600.0 6.088 6.666 7.392 0.000 0.000 -0.000 3/43200 610.0 5.977 6.550 7.261 0.000 0.000 -0.000 3/43200 620.0 5.871 6.438 7.135 0.000 0.000 -0.000 3/43200 630.0 5.768 6.330 7.014 0.000 0.000 -0.000 3/43200 640.0 5.668 6.226 6.897 0.000 0.000 -0.000 3/43200 650.0 5.572 6.125 6.784 0.000 0.000 -0.000 3/43200 660.0 5.480 6.027 6.674 0.000 0.000 -0.000 3/43200 670.0 5.390 5.933 6.569 0.000 0.000 -0.000 3/43200 680.0 5.304 5.841 6.466 0.000 0.000 -0.000 3/43200 690.0 5.220 5.753 6.367 0.000 0.000 -0.000 3/43200 700.0 5.139 5.667 6.271 0.000 0.000 -0.000 3/43200 710.0 5.061 5.584 6.178 0.000 0.000 -0.000 3/43200 720.0 4.985 5.503 6.088 0.000 0.000 -0.000 3/43200 730.0 4.911 5.424 6.001 0.000 0.000 -0.000 3/43200 740.0 4.839 5.348 5.916 0.000 0.000 -0.000 3/43200 750.0 4.770 5.274 5.833 0.000 0.000 -0.000 3/43200 760.0 4.703 5.203 5.753 0.000 0.000 -0.000 3/43200 770.0 4.637 5.133 5.675 0.000 0.000 -0.000 3/43200 780.0 4.574 5.065 5.600 0.000 0.000 -0.000 3/43200 790.0 4.512 4.999 5.526 0.000 0.000 -0.000 3/43200 800.0 4.452 4.934 5.455 0.000 0.000 -0.000 3/43200 810.0 4.393 4.871 5.385 0.000 0.000 -0.000 3/43200 820.0 4.336 4.810 5.317 0.000 0.000 -0.000 3/43200 830.0 4.281 4.751 5.251 0.000 0.000 -0.000 3/43200 840.0 4.227 4.693 5.186 0.000 0.000 -0.000 3/43200 850.0 4.174 4.636 5.123 0.000 0.000 -0.000 3/43200 860.0 4.123 4.581 5.062 0.000 0.000 -0.000 3/43200 870.0 4.073 4.527 5.002 0.000 0.000 -0.000 3/43200 880.0 4.024 4.474 4.944 0.000 0.000 -0.000 3/43200 890.0 3.976 4.423 4.887 0.000 0.000 -0.000 3/43200 900.0 3.930 4.373 4.831 0.000 0.000 -0.000 3/43200 910.0 3.884 4.324 4.777 0.000 0.000 -0.000 3/43200 920.0 3.840 4.276 4.724 0.000 0.000 -0.000 3/43200 930.0 3.797 4.229 4.672 0.000 0.000 -0.000 3/43200 940.0 3.755 4.183 4.621 0.000 0.000 -0.000 3/43200 950.0 3.713 4.138 4.571 0.000 0.000 -0.000 3/43200 960.0 3.673 4.095 4.523 0.000 0.000 -0.000 3/43200 970.0 3.633 4.052 4.475 0.000 0.000 -0.000 3/43200 980.0 3.595 4.010 4.429 0.000 0.000 -0.000 3/43200 990.0 3.557 3.969 4.383 0.000 0.000 -0.000 3/43200 1000.0 3.520 3.928 4.339 0.000 0.000 -0.000 3/43200 Thermal conductivity related properties were written into "kappa-m586.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:14:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|