----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:34:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pc (7) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.833602140323933 0.000000000000000 0.000000000000000 b 0.000000000000000 13.013978659999999 0.000000000000000 c -2.619680569589425 0.000000000000000 7.554244836528583 Atomic positions (fractional): *1 K 0.70026544963625 0.05540622797911 0.82842628954417 39.098 *2 K 0.17341080755387 0.55816890178216 0.29006470237005 39.098 *3 K 0.05660147054491 0.19022674885093 0.42651855675333 39.098 *4 K 0.72998439450959 0.37732335497187 0.99305933962057 39.098 5 K 0.17341080755387 0.44183109821784 0.79006470237005 39.098 6 K 0.05660147054491 0.80977325114907 0.92651855675332 39.098 7 K 0.70026544963625 0.94459377202089 0.32842628954417 39.098 8 K 0.72998439450959 0.62267664502813 0.49305933962057 39.098 *9 Sr 0.57428368968074 0.70559063932419 0.96082302706126 87.620 10 Sr 0.57428368968074 0.29440936067581 0.46082302706126 87.620 *11 Sr 0.25637527225446 0.87707608165609 0.48689074119275 87.620 12 Sr 0.25637527225446 0.12292391834391 0.98689074119275 87.620 *13 Cl 0.39329108131110 0.23988314034335 0.74965048249318 35.453 *14 Cl 0.22459258520840 0.30664016096588 0.18144335100027 35.453 *15 Cl 0.90357628313451 0.75966752818790 0.26103161663171 35.453 *16 Cl 0.88537731144997 0.41273689992593 0.41303546765985 35.453 *17 Cl 0.65054328442394 0.82422485218912 0.68058182190814 35.453 *18 Cl 0.48349002219992 0.47594009768245 0.60648941490861 35.453 19 Cl 0.65054328442394 0.17577514781088 0.18058182190814 35.453 *20 Cl 0.43398577344855 0.93003927245328 0.94373027787755 35.453 21 Cl 0.48349002219992 0.52405990231755 0.10648941490861 35.453 22 Cl 0.43398577344855 0.06996072754672 0.44373027787755 35.453 *23 Cl 0.03422255464380 0.00306067222281 0.14965493097857 35.453 24 Cl 0.22459258520840 0.69335983903412 0.68144335100027 35.453 25 Cl 0.03422255464380 0.99693932777719 0.64965493097857 35.453 26 Cl 0.90357628313451 0.24033247181210 0.76103161663171 35.453 27 Cl 0.88537731144997 0.58726310007407 0.91303546765985 35.453 28 Cl 0.39329108131110 0.76011685965665 0.24965048249318 35.453 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.833602140323933 0.000000000000000 0.000000000000000 b 0.000000000000000 13.013978659999999 0.000000000000000 c -2.619680569589425 0.000000000000000 7.554244836528583 Atomic positions (fractional): *1 K 0.70026544963625 0.05540622797911 0.82842628954417 39.098 > 1 *2 K 0.17341080755387 0.55816890178216 0.29006470237005 39.098 > 2 *3 K 0.05660147054491 0.19022674885093 0.42651855675333 39.098 > 3 *4 K 0.72998439450959 0.37732335497187 0.99305933962057 39.098 > 4 5 K 0.17341080755387 0.44183109821784 0.79006470237005 39.098 > 5 6 K 0.05660147054491 0.80977325114907 0.92651855675332 39.098 > 6 7 K 0.70026544963625 0.94459377202089 0.32842628954417 39.098 > 7 8 K 0.72998439450959 0.62267664502813 0.49305933962057 39.098 > 8 *9 Sr 0.57428368968074 0.70559063932419 0.96082302706126 87.620 > 9 10 Sr 0.57428368968074 0.29440936067581 0.46082302706126 87.620 > 10 *11 Sr 0.25637527225446 0.87707608165609 0.48689074119275 87.620 > 11 12 Sr 0.25637527225446 0.12292391834391 0.98689074119275 87.620 > 12 *13 Cl 0.39329108131110 0.23988314034335 0.74965048249318 35.453 > 13 *14 Cl 0.22459258520840 0.30664016096588 0.18144335100027 35.453 > 14 *15 Cl 0.90357628313451 0.75966752818790 0.26103161663171 35.453 > 15 *16 Cl 0.88537731144997 0.41273689992593 0.41303546765985 35.453 > 16 *17 Cl 0.65054328442394 0.82422485218912 0.68058182190814 35.453 > 17 *18 Cl 0.48349002219992 0.47594009768245 0.60648941490861 35.453 > 18 19 Cl 0.65054328442394 0.17577514781088 0.18058182190814 35.453 > 19 *20 Cl 0.43398577344855 0.93003927245328 0.94373027787755 35.453 > 20 21 Cl 0.48349002219992 0.52405990231755 0.10648941490861 35.453 > 21 22 Cl 0.43398577344855 0.06996072754672 0.44373027787755 35.453 > 22 *23 Cl 0.03422255464380 0.00306067222281 0.14965493097857 35.453 > 23 24 Cl 0.22459258520840 0.69335983903412 0.68144335100027 35.453 > 24 25 Cl 0.03422255464380 0.99693932777719 0.64965493097857 35.453 > 25 26 Cl 0.90357628313451 0.24033247181210 0.76103161663171 35.453 > 26 27 Cl 0.88537731144997 0.58726310007407 0.91303546765985 35.453 > 27 28 Cl 0.39329108131110 0.76011685965665 0.24965048249318 35.453 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.667204280647866 0.000000000000000 0.000000000000000 b 0.000000000000000 13.013978659999999 0.000000000000000 c -5.239361139178850 0.000000000000000 15.108489673057166 Atomic positions (fractional): *1 K 0.35013272481812 0.05540622797911 0.41421314477209 39.098 > 1 2 K 0.85013272481812 0.05540622797911 0.41421314477209 39.098 > 1 3 K 0.35013272481812 0.05540622797911 0.91421314477209 39.098 > 1 4 K 0.85013272481812 0.05540622797911 0.91421314477209 39.098 > 1 *5 K 0.08670540377694 0.55816890178216 0.14503235118502 39.098 > 2 6 K 0.58670540377694 0.55816890178216 0.14503235118502 39.098 > 2 7 K 0.08670540377694 0.55816890178216 0.64503235118502 39.098 > 2 8 K 0.58670540377694 0.55816890178216 0.64503235118502 39.098 > 2 *9 K 0.02830073527246 0.19022674885093 0.21325927837666 39.098 > 3 10 K 0.52830073527246 0.19022674885093 0.21325927837666 39.098 > 3 11 K 0.02830073527246 0.19022674885093 0.71325927837666 39.098 > 3 12 K 0.52830073527246 0.19022674885093 0.71325927837666 39.098 > 3 *13 K 0.36499219725479 0.37732335497187 0.49652966981028 39.098 > 4 14 K 0.86499219725479 0.37732335497187 0.49652966981028 39.098 > 4 15 K 0.36499219725479 0.37732335497187 0.99652966981028 39.098 > 4 16 K 0.86499219725479 0.37732335497187 0.99652966981028 39.098 > 4 17 K 0.08670540377694 0.44183109821784 0.39503235118502 39.098 > 5 18 K 0.58670540377694 0.44183109821784 0.39503235118502 39.098 > 5 19 K 0.08670540377694 0.44183109821784 0.89503235118502 39.098 > 5 20 K 0.58670540377694 0.44183109821784 0.89503235118502 39.098 > 5 21 K 0.02830073527246 0.80977325114907 0.46325927837666 39.098 > 6 22 K 0.52830073527246 0.80977325114907 0.46325927837666 39.098 > 6 23 K 0.02830073527246 0.80977325114907 0.96325927837666 39.098 > 6 24 K 0.52830073527246 0.80977325114907 0.96325927837666 39.098 > 6 25 K 0.35013272481812 0.94459377202089 0.16421314477209 39.098 > 7 26 K 0.85013272481812 0.94459377202089 0.16421314477209 39.098 > 7 27 K 0.35013272481812 0.94459377202089 0.66421314477209 39.098 > 7 28 K 0.85013272481812 0.94459377202089 0.66421314477209 39.098 > 7 29 K 0.36499219725479 0.62267664502813 0.24652966981028 39.098 > 8 30 K 0.86499219725479 0.62267664502813 0.24652966981028 39.098 > 8 31 K 0.36499219725479 0.62267664502813 0.74652966981028 39.098 > 8 32 K 0.86499219725479 0.62267664502813 0.74652966981028 39.098 > 8 *33 Sr 0.28714184484037 0.70559063932419 0.48041151353063 87.620 > 9 34 Sr 0.78714184484037 0.70559063932419 0.48041151353063 87.620 > 9 35 Sr 0.28714184484037 0.70559063932419 0.98041151353063 87.620 > 9 36 Sr 0.78714184484037 0.70559063932419 0.98041151353063 87.620 > 9 37 Sr 0.28714184484037 0.29440936067581 0.23041151353063 87.620 > 10 38 Sr 0.78714184484037 0.29440936067581 0.23041151353063 87.620 > 10 39 Sr 0.28714184484037 0.29440936067581 0.73041151353063 87.620 > 10 40 Sr 0.78714184484037 0.29440936067581 0.73041151353063 87.620 > 10 *41 Sr 0.12818763612723 0.87707608165609 0.24344537059637 87.620 > 11 42 Sr 0.62818763612723 0.87707608165609 0.24344537059637 87.620 > 11 43 Sr 0.12818763612723 0.87707608165609 0.74344537059637 87.620 > 11 44 Sr 0.62818763612723 0.87707608165609 0.74344537059637 87.620 > 11 45 Sr 0.12818763612723 0.12292391834391 0.49344537059637 87.620 > 12 46 Sr 0.62818763612723 0.12292391834391 0.49344537059637 87.620 > 12 47 Sr 0.12818763612723 0.12292391834391 0.99344537059637 87.620 > 12 48 Sr 0.62818763612723 0.12292391834391 0.99344537059637 87.620 > 12 *49 Cl 0.19664554065555 0.23988314034335 0.37482524124659 35.453 > 13 50 Cl 0.69664554065555 0.23988314034335 0.37482524124659 35.453 > 13 51 Cl 0.19664554065555 0.23988314034335 0.87482524124659 35.453 > 13 52 Cl 0.69664554065555 0.23988314034335 0.87482524124659 35.453 > 13 *53 Cl 0.11229629260420 0.30664016096588 0.09072167550014 35.453 > 14 54 Cl 0.61229629260420 0.30664016096588 0.09072167550014 35.453 > 14 55 Cl 0.11229629260420 0.30664016096588 0.59072167550014 35.453 > 14 56 Cl 0.61229629260420 0.30664016096588 0.59072167550014 35.453 > 14 *57 Cl 0.45178814156726 0.75966752818790 0.13051580831586 35.453 > 15 58 Cl 0.95178814156726 0.75966752818790 0.13051580831586 35.453 > 15 59 Cl 0.45178814156726 0.75966752818790 0.63051580831586 35.453 > 15 60 Cl 0.95178814156726 0.75966752818790 0.63051580831586 35.453 > 15 *61 Cl 0.44268865572498 0.41273689992593 0.20651773382993 35.453 > 16 62 Cl 0.94268865572498 0.41273689992593 0.20651773382993 35.453 > 16 63 Cl 0.44268865572498 0.41273689992593 0.70651773382993 35.453 > 16 64 Cl 0.94268865572498 0.41273689992593 0.70651773382993 35.453 > 16 *65 Cl 0.32527164221197 0.82422485218912 0.34029091095407 35.453 > 17 66 Cl 0.82527164221197 0.82422485218912 0.34029091095407 35.453 > 17 67 Cl 0.32527164221197 0.82422485218912 0.84029091095407 35.453 > 17 68 Cl 0.82527164221197 0.82422485218912 0.84029091095407 35.453 > 17 *69 Cl 0.24174501109996 0.47594009768245 0.30324470745430 35.453 > 18 70 Cl 0.74174501109996 0.47594009768245 0.30324470745430 35.453 > 18 71 Cl 0.24174501109996 0.47594009768245 0.80324470745430 35.453 > 18 72 Cl 0.74174501109996 0.47594009768245 0.80324470745430 35.453 > 18 73 Cl 0.32527164221197 0.17577514781088 0.09029091095407 35.453 > 19 74 Cl 0.82527164221197 0.17577514781088 0.09029091095407 35.453 > 19 75 Cl 0.32527164221197 0.17577514781088 0.59029091095407 35.453 > 19 76 Cl 0.82527164221197 0.17577514781088 0.59029091095407 35.453 > 19 *77 Cl 0.21699288672427 0.93003927245328 0.47186513893878 35.453 > 20 78 Cl 0.71699288672427 0.93003927245328 0.47186513893878 35.453 > 20 79 Cl 0.21699288672427 0.93003927245328 0.97186513893878 35.453 > 20 80 Cl 0.71699288672427 0.93003927245328 0.97186513893878 35.453 > 20 81 Cl 0.24174501109996 0.52405990231755 0.05324470745430 35.453 > 21 82 Cl 0.74174501109996 0.52405990231755 0.05324470745430 35.453 > 21 83 Cl 0.24174501109996 0.52405990231755 0.55324470745430 35.453 > 21 84 Cl 0.74174501109996 0.52405990231755 0.55324470745430 35.453 > 21 85 Cl 0.21699288672427 0.06996072754672 0.22186513893878 35.453 > 22 86 Cl 0.71699288672427 0.06996072754672 0.22186513893878 35.453 > 22 87 Cl 0.21699288672427 0.06996072754672 0.72186513893878 35.453 > 22 88 Cl 0.71699288672427 0.06996072754672 0.72186513893878 35.453 > 22 *89 Cl 0.01711127732190 0.00306067222281 0.07482746548928 35.453 > 23 90 Cl 0.51711127732190 0.00306067222281 0.07482746548928 35.453 > 23 91 Cl 0.01711127732190 0.00306067222281 0.57482746548928 35.453 > 23 92 Cl 0.51711127732190 0.00306067222281 0.57482746548928 35.453 > 23 93 Cl 0.11229629260420 0.69335983903412 0.34072167550014 35.453 > 24 94 Cl 0.61229629260420 0.69335983903412 0.34072167550014 35.453 > 24 95 Cl 0.11229629260420 0.69335983903412 0.84072167550014 35.453 > 24 96 Cl 0.61229629260420 0.69335983903412 0.84072167550014 35.453 > 24 97 Cl 0.01711127732190 0.99693932777719 0.32482746548928 35.453 > 25 98 Cl 0.51711127732190 0.99693932777719 0.32482746548928 35.453 > 25 99 Cl 0.01711127732190 0.99693932777719 0.82482746548928 35.453 > 25 100 Cl 0.51711127732190 0.99693932777719 0.82482746548928 35.453 > 25 101 Cl 0.45178814156726 0.24033247181210 0.38051580831586 35.453 > 26 102 Cl 0.95178814156726 0.24033247181210 0.38051580831586 35.453 > 26 103 Cl 0.45178814156726 0.24033247181210 0.88051580831586 35.453 > 26 104 Cl 0.95178814156726 0.24033247181210 0.88051580831586 35.453 > 26 105 Cl 0.44268865572498 0.58726310007407 0.45651773382993 35.453 > 27 106 Cl 0.94268865572498 0.58726310007407 0.45651773382993 35.453 > 27 107 Cl 0.44268865572498 0.58726310007407 0.95651773382993 35.453 > 27 108 Cl 0.94268865572498 0.58726310007407 0.95651773382993 35.453 > 27 109 Cl 0.19664554065555 0.76011685965665 0.12482524124659 35.453 > 28 110 Cl 0.69664554065555 0.76011685965665 0.12482524124659 35.453 > 28 111 Cl 0.19664554065555 0.76011685965665 0.62482524124659 35.453 > 28 112 Cl 0.69664554065555 0.76011685965665 0.62482524124659 35.453 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7779242 0.0000000 -0.0008427 0.0000000 2.8008175 0.0000000 -0.0008412 0.0000000 2.7980873 -------------------------- Born effective charges -------------------------- 1 K 1.2192466 0.0109494 0.0090853 0.0023399 1.1272727 0.0198978 0.0022874 0.0014096 1.1547451 2 K 1.2291913 -0.0375567 0.0481963 -0.0255150 1.2840896 -0.0568400 0.0147524 -0.0316744 1.1569370 3 K 1.2203798 -0.0818752 -0.0048326 -0.0689051 1.1185707 -0.0008324 -0.0022190 0.0023735 1.1447811 4 K 1.1077160 0.0033819 -0.0265785 -0.0218491 1.2562545 0.0167022 -0.0043729 -0.0076932 1.2192775 5 K 1.2291913 0.0375567 0.0481963 0.0255150 1.2840896 0.0568400 0.0147524 0.0316744 1.1569370 6 K 1.2203798 0.0818752 -0.0048326 0.0689051 1.1185707 0.0008324 -0.0022190 -0.0023735 1.1447811 7 K 1.2192466 -0.0109494 0.0090853 -0.0023399 1.1272727 -0.0198978 0.0022874 -0.0014096 1.1547451 8 K 1.1077160 -0.0033819 -0.0265785 0.0218491 1.2562545 -0.0167022 -0.0043729 0.0076932 1.2192775 9 Sr 2.4079940 -0.0756983 -0.0071959 -0.0736593 2.4577950 -0.1221569 -0.0226112 -0.1298731 2.4120112 10 Sr 2.4079940 0.0756983 -0.0071959 0.0736593 2.4577950 0.1221569 -0.0226112 0.1298731 2.4120112 11 Sr 2.3522355 -0.0334534 -0.0271167 -0.0558511 2.4305103 -0.0493054 -0.0007364 -0.0436252 2.5109147 12 Sr 2.3522355 0.0334534 -0.0271167 0.0558511 2.4305103 0.0493054 -0.0007364 0.0436252 2.5109147 13 Cl -1.2942771 -0.1672650 0.2681586 -0.1562858 -1.0684735 0.1438882 0.2609218 0.1815202 -1.2534105 14 Cl -1.0967372 0.0968031 -0.1302685 0.0926765 -1.2392877 -0.1135953 -0.1241327 -0.1089985 -1.2742096 15 Cl -1.3552839 -0.1561400 -0.2920218 -0.1349227 -1.0567919 -0.1478169 -0.2601355 -0.1362215 -1.2402023 16 Cl -1.2802478 -0.1652405 0.0106739 -0.1540328 -1.2366984 0.0006647 0.0122844 0.0027782 -1.0581658 17 Cl -1.2259568 -0.0047105 -0.0279573 0.0217367 -1.0985694 0.1916310 -0.0357776 0.1954991 -1.2429622 18 Cl -1.0569168 0.1130819 0.0916288 0.1508744 -1.4008014 -0.1125213 0.0978308 -0.1122054 -1.1327207 19 Cl -1.2259568 0.0047105 -0.0279573 -0.0217367 -1.0985694 -0.1916310 -0.0357776 -0.1954991 -1.2429622 20 Cl -1.0508743 0.2026861 0.0129358 0.2150711 -1.4644974 -0.0811311 -0.0122228 -0.0678014 -1.0924322 21 Cl -1.0569168 -0.1130819 0.0916288 -0.1508744 -1.4008014 0.1125213 0.0978308 0.1122054 -1.1327207 22 Cl -1.0508743 -0.2026861 0.0129358 -0.2150711 -1.4644974 0.0811311 -0.0122228 0.0678014 -1.0924322 23 Cl -1.1764692 -0.1094686 0.0752924 -0.0960600 -1.1093732 0.1793625 0.0741315 0.1769262 -1.3045631 24 Cl -1.0967372 -0.0968031 -0.1302685 -0.0926765 -1.2392877 0.1135953 -0.1241327 0.1089985 -1.2742096 25 Cl -1.1764692 0.1094686 0.0752924 0.0960600 -1.1093732 -0.1793625 0.0741315 -0.1769262 -1.3045631 26 Cl -1.3552839 0.1561400 -0.2920218 0.1349227 -1.0567919 0.1478169 -0.2601355 0.1362215 -1.2402023 27 Cl -1.2802478 0.1652405 0.0106739 0.1540328 -1.2366984 -0.0006647 0.0122844 -0.0027782 -1.0581658 28 Cl -1.2942771 0.1672650 0.2681586 0.1562858 -1.0684735 -0.1438882 0.2609218 -0.1815202 -1.2534105 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7140 Number of blocks in projector: 7140 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: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 236 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 550 eigenvectors found. (1) Complementary block size: 70 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 236 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 550 eigenvectors found. (1) Complementary block size: 70 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 812 Use submatrix version of eigh solver. (1) Block: 500 / 812 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 812 / 812 (1) 302 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 812 Use submatrix version of eigh solver. (1) Block: 500 / 812 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 812 / 812 (1) 298 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 812 Use submatrix version of eigh solver. (1) Block: 500 / 812 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 812 / 812 (1) 302 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. Tree of FC basis block matrices: - (7140, 7015), data: False |-- (812, 798), data: False |-- (812, 10), data: (812, 24) @ (24, 10) |-- (312, 302), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True |-- (812, 798), data: False |-- (812, 14), data: (812, 28) @ (28, 14) |-- (312, 298), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (812, 798), data: False |-- (812, 10), data: (812, 24) @ (24, 10) |-- (312, 302), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 42), data: (1568, 70) @ (70, 42) |-- (568, 550), data: False |-- (568, 20), data: (568, 38) @ (38, 20) |-- (68, 62), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 42), data: (1568, 70) @ (70, 42) |-- (568, 550), data: False |-- (568, 20), data: (568, 38) @ (38, 20) |-- (68, 62), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1680 - Time: 1.874 Solver_block: 200 / 1680 - Time: 1.617 Solver_block: 300 / 1680 - Time: 1.621 Solver_block: 400 / 1680 - Time: 1.624 Solver_block: 500 / 1680 - Time: 1.631 Solver_block: 600 / 1680 - Time: 1.630 Solver_block: 700 / 1680 - Time: 1.624 Solver_block: 800 / 1680 - Time: 1.624 Solver_block: 900 / 1680 - Time: 1.630 Solver_block: 1000 / 1680 - Time: 1.624 Solver_block: 1100 / 1680 - Time: 1.626 Solver_block: 1200 / 1680 - Time: 1.631 Solver_block: 1300 / 1680 - Time: 1.630 Solver_block: 1400 / 1680 - Time: 1.622 Solver_block: 1500 / 1680 - Time: 1.623 Solver_block: 1600 / 1680 - Time: 1.627 Solver_block: 1680 / 1680 - Time: 1.352 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 28.408 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7140 Number of blocks in projector: 7140 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: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 236 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 550 eigenvectors found. (1) Complementary block size: 70 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 236 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 550 eigenvectors found. (1) Complementary block size: 70 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 812 Use submatrix version of eigh solver. (1) Block: 500 / 812 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 812 / 812 (1) 302 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 812 Use submatrix version of eigh solver. (1) Block: 500 / 812 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 812 / 812 (1) 298 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 812 Use submatrix version of eigh solver. (1) Block: 500 / 812 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 812 / 812 (1) 302 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. Tree of FC basis block matrices: - (7140, 7015), data: False |-- (812, 798), data: False |-- (812, 10), data: (812, 24) @ (24, 10) |-- (312, 302), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True |-- (812, 798), data: False |-- (812, 14), data: (812, 28) @ (28, 14) |-- (312, 298), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (812, 798), data: False |-- (812, 10), data: (812, 24) @ (24, 10) |-- (312, 302), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 42), data: (1568, 70) @ (70, 42) |-- (568, 550), data: False |-- (568, 20), data: (568, 38) @ (38, 20) |-- (68, 62), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 42), data: (1568, 70) @ (70, 42) |-- (568, 550), data: False |-- (568, 20), data: (568, 38) @ (38, 20) |-- (68, 62), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:36:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:36:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pc (7) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.833602140323933 0.000000000000000 0.000000000000000 b 0.000000000000000 13.013978659999999 0.000000000000000 c -2.619680569589425 0.000000000000000 7.554244836528583 Atomic positions (fractional): 1 K 0.70026544963625 0.05540622797911 0.82842628954417 39.098 2 K 0.17341080755387 0.55816890178216 0.29006470237005 39.098 3 K 0.05660147054491 0.19022674885093 0.42651855675333 39.098 4 K 0.72998439450959 0.37732335497187 0.99305933962057 39.098 5 K 0.17341080755387 0.44183109821784 0.79006470237005 39.098 6 K 0.05660147054491 0.80977325114907 0.92651855675332 39.098 7 K 0.70026544963625 0.94459377202089 0.32842628954417 39.098 8 K 0.72998439450959 0.62267664502813 0.49305933962057 39.098 9 Sr 0.57428368968074 0.70559063932419 0.96082302706126 87.620 10 Sr 0.57428368968074 0.29440936067581 0.46082302706126 87.620 11 Sr 0.25637527225446 0.87707608165609 0.48689074119275 87.620 12 Sr 0.25637527225446 0.12292391834391 0.98689074119275 87.620 13 Cl 0.39329108131110 0.23988314034335 0.74965048249318 35.453 14 Cl 0.22459258520840 0.30664016096588 0.18144335100027 35.453 15 Cl 0.90357628313451 0.75966752818790 0.26103161663171 35.453 16 Cl 0.88537731144997 0.41273689992593 0.41303546765985 35.453 17 Cl 0.65054328442394 0.82422485218912 0.68058182190814 35.453 18 Cl 0.48349002219992 0.47594009768245 0.60648941490861 35.453 19 Cl 0.65054328442394 0.17577514781088 0.18058182190814 35.453 20 Cl 0.43398577344855 0.93003927245328 0.94373027787755 35.453 21 Cl 0.48349002219992 0.52405990231755 0.10648941490861 35.453 22 Cl 0.43398577344855 0.06996072754672 0.44373027787755 35.453 23 Cl 0.03422255464380 0.00306067222281 0.14965493097857 35.453 24 Cl 0.22459258520840 0.69335983903412 0.68144335100027 35.453 25 Cl 0.03422255464380 0.99693932777719 0.64965493097857 35.453 26 Cl 0.90357628313451 0.24033247181210 0.76103161663171 35.453 27 Cl 0.88537731144997 0.58726310007407 0.91303546765985 35.453 28 Cl 0.39329108131110 0.76011685965665 0.24965048249318 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.667204280647866 0.000000000000000 0.000000000000000 b 0.000000000000000 13.013978659999999 0.000000000000000 c -5.239361139178850 0.000000000000000 15.108489673057166 Atomic positions (fractional): 1 K 0.35013272481812 0.05540622797911 0.41421314477209 39.098 > 1 2 K 0.85013272481812 0.05540622797911 0.41421314477209 39.098 > 1 3 K 0.35013272481812 0.05540622797911 0.91421314477209 39.098 > 1 4 K 0.85013272481812 0.05540622797911 0.91421314477209 39.098 > 1 5 K 0.08670540377694 0.55816890178216 0.14503235118502 39.098 > 5 6 K 0.58670540377694 0.55816890178216 0.14503235118502 39.098 > 5 7 K 0.08670540377694 0.55816890178216 0.64503235118502 39.098 > 5 8 K 0.58670540377694 0.55816890178216 0.64503235118502 39.098 > 5 9 K 0.02830073527246 0.19022674885093 0.21325927837666 39.098 > 9 10 K 0.52830073527246 0.19022674885093 0.21325927837666 39.098 > 9 11 K 0.02830073527246 0.19022674885093 0.71325927837666 39.098 > 9 12 K 0.52830073527246 0.19022674885093 0.71325927837666 39.098 > 9 13 K 0.36499219725479 0.37732335497187 0.49652966981028 39.098 > 13 14 K 0.86499219725479 0.37732335497187 0.49652966981028 39.098 > 13 15 K 0.36499219725479 0.37732335497187 0.99652966981028 39.098 > 13 16 K 0.86499219725479 0.37732335497187 0.99652966981028 39.098 > 13 17 K 0.08670540377694 0.44183109821784 0.39503235118502 39.098 > 17 18 K 0.58670540377694 0.44183109821784 0.39503235118502 39.098 > 17 19 K 0.08670540377694 0.44183109821784 0.89503235118502 39.098 > 17 20 K 0.58670540377694 0.44183109821784 0.89503235118502 39.098 > 17 21 K 0.02830073527246 0.80977325114907 0.46325927837666 39.098 > 21 22 K 0.52830073527246 0.80977325114907 0.46325927837666 39.098 > 21 23 K 0.02830073527246 0.80977325114907 0.96325927837666 39.098 > 21 24 K 0.52830073527246 0.80977325114907 0.96325927837666 39.098 > 21 25 K 0.35013272481812 0.94459377202089 0.16421314477209 39.098 > 25 26 K 0.85013272481812 0.94459377202089 0.16421314477209 39.098 > 25 27 K 0.35013272481812 0.94459377202089 0.66421314477209 39.098 > 25 28 K 0.85013272481812 0.94459377202089 0.66421314477209 39.098 > 25 29 K 0.36499219725479 0.62267664502813 0.24652966981028 39.098 > 29 30 K 0.86499219725479 0.62267664502813 0.24652966981028 39.098 > 29 31 K 0.36499219725479 0.62267664502813 0.74652966981028 39.098 > 29 32 K 0.86499219725479 0.62267664502813 0.74652966981028 39.098 > 29 33 Sr 0.28714184484037 0.70559063932419 0.48041151353063 87.620 > 33 34 Sr 0.78714184484037 0.70559063932419 0.48041151353063 87.620 > 33 35 Sr 0.28714184484037 0.70559063932419 0.98041151353063 87.620 > 33 36 Sr 0.78714184484037 0.70559063932419 0.98041151353063 87.620 > 33 37 Sr 0.28714184484037 0.29440936067581 0.23041151353063 87.620 > 37 38 Sr 0.78714184484037 0.29440936067581 0.23041151353063 87.620 > 37 39 Sr 0.28714184484037 0.29440936067581 0.73041151353063 87.620 > 37 40 Sr 0.78714184484037 0.29440936067581 0.73041151353063 87.620 > 37 41 Sr 0.12818763612723 0.87707608165609 0.24344537059637 87.620 > 41 42 Sr 0.62818763612723 0.87707608165609 0.24344537059637 87.620 > 41 43 Sr 0.12818763612723 0.87707608165609 0.74344537059637 87.620 > 41 44 Sr 0.62818763612723 0.87707608165609 0.74344537059637 87.620 > 41 45 Sr 0.12818763612723 0.12292391834391 0.49344537059637 87.620 > 45 46 Sr 0.62818763612723 0.12292391834391 0.49344537059637 87.620 > 45 47 Sr 0.12818763612723 0.12292391834391 0.99344537059637 87.620 > 45 48 Sr 0.62818763612723 0.12292391834391 0.99344537059637 87.620 > 45 49 Cl 0.19664554065555 0.23988314034335 0.37482524124659 35.453 > 49 50 Cl 0.69664554065555 0.23988314034335 0.37482524124659 35.453 > 49 51 Cl 0.19664554065555 0.23988314034335 0.87482524124659 35.453 > 49 52 Cl 0.69664554065555 0.23988314034335 0.87482524124659 35.453 > 49 53 Cl 0.11229629260420 0.30664016096588 0.09072167550014 35.453 > 53 54 Cl 0.61229629260420 0.30664016096588 0.09072167550014 35.453 > 53 55 Cl 0.11229629260420 0.30664016096588 0.59072167550014 35.453 > 53 56 Cl 0.61229629260420 0.30664016096588 0.59072167550014 35.453 > 53 57 Cl 0.45178814156726 0.75966752818790 0.13051580831586 35.453 > 57 58 Cl 0.95178814156726 0.75966752818790 0.13051580831586 35.453 > 57 59 Cl 0.45178814156726 0.75966752818790 0.63051580831586 35.453 > 57 60 Cl 0.95178814156726 0.75966752818790 0.63051580831586 35.453 > 57 61 Cl 0.44268865572498 0.41273689992593 0.20651773382993 35.453 > 61 62 Cl 0.94268865572498 0.41273689992593 0.20651773382993 35.453 > 61 63 Cl 0.44268865572498 0.41273689992593 0.70651773382993 35.453 > 61 64 Cl 0.94268865572498 0.41273689992593 0.70651773382993 35.453 > 61 65 Cl 0.32527164221197 0.82422485218912 0.34029091095407 35.453 > 65 66 Cl 0.82527164221197 0.82422485218912 0.34029091095407 35.453 > 65 67 Cl 0.32527164221197 0.82422485218912 0.84029091095407 35.453 > 65 68 Cl 0.82527164221197 0.82422485218912 0.84029091095407 35.453 > 65 69 Cl 0.24174501109996 0.47594009768245 0.30324470745430 35.453 > 69 70 Cl 0.74174501109996 0.47594009768245 0.30324470745430 35.453 > 69 71 Cl 0.24174501109996 0.47594009768245 0.80324470745430 35.453 > 69 72 Cl 0.74174501109996 0.47594009768245 0.80324470745430 35.453 > 69 73 Cl 0.32527164221197 0.17577514781088 0.09029091095407 35.453 > 73 74 Cl 0.82527164221197 0.17577514781088 0.09029091095407 35.453 > 73 75 Cl 0.32527164221197 0.17577514781088 0.59029091095407 35.453 > 73 76 Cl 0.82527164221197 0.17577514781088 0.59029091095407 35.453 > 73 77 Cl 0.21699288672427 0.93003927245328 0.47186513893878 35.453 > 77 78 Cl 0.71699288672427 0.93003927245328 0.47186513893878 35.453 > 77 79 Cl 0.21699288672427 0.93003927245328 0.97186513893878 35.453 > 77 80 Cl 0.71699288672427 0.93003927245328 0.97186513893878 35.453 > 77 81 Cl 0.24174501109996 0.52405990231755 0.05324470745430 35.453 > 81 82 Cl 0.74174501109996 0.52405990231755 0.05324470745430 35.453 > 81 83 Cl 0.24174501109996 0.52405990231755 0.55324470745430 35.453 > 81 84 Cl 0.74174501109996 0.52405990231755 0.55324470745430 35.453 > 81 85 Cl 0.21699288672427 0.06996072754672 0.22186513893878 35.453 > 85 86 Cl 0.71699288672427 0.06996072754672 0.22186513893878 35.453 > 85 87 Cl 0.21699288672427 0.06996072754672 0.72186513893878 35.453 > 85 88 Cl 0.71699288672427 0.06996072754672 0.72186513893878 35.453 > 85 89 Cl 0.01711127732190 0.00306067222281 0.07482746548928 35.453 > 89 90 Cl 0.51711127732190 0.00306067222281 0.07482746548928 35.453 > 89 91 Cl 0.01711127732190 0.00306067222281 0.57482746548928 35.453 > 89 92 Cl 0.51711127732190 0.00306067222281 0.57482746548928 35.453 > 89 93 Cl 0.11229629260420 0.69335983903412 0.34072167550014 35.453 > 93 94 Cl 0.61229629260420 0.69335983903412 0.34072167550014 35.453 > 93 95 Cl 0.11229629260420 0.69335983903412 0.84072167550014 35.453 > 93 96 Cl 0.61229629260420 0.69335983903412 0.84072167550014 35.453 > 93 97 Cl 0.01711127732190 0.99693932777719 0.32482746548928 35.453 > 97 98 Cl 0.51711127732190 0.99693932777719 0.32482746548928 35.453 > 97 99 Cl 0.01711127732190 0.99693932777719 0.82482746548928 35.453 > 97 100 Cl 0.51711127732190 0.99693932777719 0.82482746548928 35.453 > 97 101 Cl 0.45178814156726 0.24033247181210 0.38051580831586 35.453 > 101 102 Cl 0.95178814156726 0.24033247181210 0.38051580831586 35.453 > 101 103 Cl 0.45178814156726 0.24033247181210 0.88051580831586 35.453 > 101 104 Cl 0.95178814156726 0.24033247181210 0.88051580831586 35.453 > 101 105 Cl 0.44268865572498 0.58726310007407 0.45651773382993 35.453 > 105 106 Cl 0.94268865572498 0.58726310007407 0.45651773382993 35.453 > 105 107 Cl 0.44268865572498 0.58726310007407 0.95651773382993 35.453 > 105 108 Cl 0.94268865572498 0.58726310007407 0.95651773382993 35.453 > 105 109 Cl 0.19664554065555 0.76011685965665 0.12482524124659 35.453 > 109 110 Cl 0.69664554065555 0.76011685965665 0.12482524124659 35.453 > 109 111 Cl 0.19664554065555 0.76011685965665 0.62482524124659 35.453 > 109 112 Cl 0.69664554065555 0.76011685965665 0.62482524124659 35.453 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7779242 0.0000000 -0.0008427 0.0000000 2.8008175 0.0000000 -0.0008412 0.0000000 2.7980873 -------------------------- Born effective charges -------------------------- 1 K 1.2192466 0.0109494 0.0090853 0.0023399 1.1272727 0.0198978 0.0022874 0.0014096 1.1547451 2 K 1.2291913 -0.0375567 0.0481963 -0.0255150 1.2840896 -0.0568400 0.0147524 -0.0316744 1.1569370 3 K 1.2203798 -0.0818752 -0.0048326 -0.0689051 1.1185707 -0.0008324 -0.0022190 0.0023735 1.1447811 4 K 1.1077160 0.0033819 -0.0265785 -0.0218491 1.2562545 0.0167022 -0.0043729 -0.0076932 1.2192775 5 K 1.2291913 0.0375567 0.0481963 0.0255150 1.2840896 0.0568400 0.0147524 0.0316744 1.1569370 6 K 1.2203798 0.0818752 -0.0048326 0.0689051 1.1185707 0.0008324 -0.0022190 -0.0023735 1.1447811 7 K 1.2192466 -0.0109494 0.0090853 -0.0023399 1.1272727 -0.0198978 0.0022874 -0.0014096 1.1547451 8 K 1.1077160 -0.0033819 -0.0265785 0.0218491 1.2562545 -0.0167022 -0.0043729 0.0076932 1.2192775 9 Sr 2.4079940 -0.0756983 -0.0071959 -0.0736593 2.4577950 -0.1221569 -0.0226112 -0.1298731 2.4120112 10 Sr 2.4079940 0.0756983 -0.0071959 0.0736593 2.4577950 0.1221569 -0.0226112 0.1298731 2.4120112 11 Sr 2.3522355 -0.0334534 -0.0271167 -0.0558511 2.4305103 -0.0493054 -0.0007364 -0.0436252 2.5109147 12 Sr 2.3522355 0.0334534 -0.0271167 0.0558511 2.4305103 0.0493054 -0.0007364 0.0436252 2.5109147 13 Cl -1.2942771 -0.1672650 0.2681586 -0.1562858 -1.0684735 0.1438882 0.2609218 0.1815202 -1.2534105 14 Cl -1.0967372 0.0968031 -0.1302685 0.0926765 -1.2392877 -0.1135953 -0.1241327 -0.1089985 -1.2742096 15 Cl -1.3552839 -0.1561400 -0.2920218 -0.1349227 -1.0567919 -0.1478169 -0.2601355 -0.1362215 -1.2402023 16 Cl -1.2802478 -0.1652405 0.0106739 -0.1540328 -1.2366984 0.0006647 0.0122844 0.0027782 -1.0581658 17 Cl -1.2259568 -0.0047105 -0.0279573 0.0217367 -1.0985694 0.1916310 -0.0357776 0.1954991 -1.2429622 18 Cl -1.0569168 0.1130819 0.0916288 0.1508744 -1.4008014 -0.1125213 0.0978308 -0.1122054 -1.1327207 19 Cl -1.2259568 0.0047105 -0.0279573 -0.0217367 -1.0985694 -0.1916310 -0.0357776 -0.1954991 -1.2429622 20 Cl -1.0508743 0.2026861 0.0129358 0.2150711 -1.4644974 -0.0811311 -0.0122228 -0.0678014 -1.0924322 21 Cl -1.0569168 -0.1130819 0.0916288 -0.1508744 -1.4008014 0.1125213 0.0978308 0.1122054 -1.1327207 22 Cl -1.0508743 -0.2026861 0.0129358 -0.2150711 -1.4644974 0.0811311 -0.0122228 0.0678014 -1.0924322 23 Cl -1.1764692 -0.1094686 0.0752924 -0.0960600 -1.1093732 0.1793625 0.0741315 0.1769262 -1.3045631 24 Cl -1.0967372 -0.0968031 -0.1302685 -0.0926765 -1.2392877 0.1135953 -0.1241327 0.1089985 -1.2742096 25 Cl -1.1764692 0.1094686 0.0752924 0.0960600 -1.1093732 -0.1793625 0.0741315 -0.1769262 -1.3045631 26 Cl -1.3552839 0.1561400 -0.2920218 0.1349227 -1.0567919 0.1478169 -0.2601355 0.1362215 -1.2402023 27 Cl -1.2802478 0.1652405 0.0106739 0.1540328 -1.2366984 -0.0006647 0.0122844 -0.0027782 -1.0581658 28 Cl -1.2942771 0.1672650 0.2681586 0.1562858 -1.0684735 -0.1438882 0.2609218 -0.1815202 -1.2534105 ---------------------------------------------------------------------------- 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 5, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 13, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 41, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 53, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 57, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 61, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 65, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 69, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 77, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 89, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000020 (xz) -0.00000020 (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 21:37:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:37:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pc (7) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.833602140323933 0.000000000000000 0.000000000000000 b 0.000000000000000 13.013978659999999 0.000000000000000 c -2.619680569589425 0.000000000000000 7.554244836528583 Atomic positions (fractional): 1 K 0.70026544963625 0.05540622797911 0.82842628954417 39.098 2 K 0.17341080755387 0.55816890178216 0.29006470237005 39.098 3 K 0.05660147054491 0.19022674885093 0.42651855675333 39.098 4 K 0.72998439450959 0.37732335497187 0.99305933962057 39.098 5 K 0.17341080755387 0.44183109821784 0.79006470237005 39.098 6 K 0.05660147054491 0.80977325114907 0.92651855675332 39.098 7 K 0.70026544963625 0.94459377202089 0.32842628954417 39.098 8 K 0.72998439450959 0.62267664502813 0.49305933962057 39.098 9 Sr 0.57428368968074 0.70559063932419 0.96082302706126 87.620 10 Sr 0.57428368968074 0.29440936067581 0.46082302706126 87.620 11 Sr 0.25637527225446 0.87707608165609 0.48689074119275 87.620 12 Sr 0.25637527225446 0.12292391834391 0.98689074119275 87.620 13 Cl 0.39329108131110 0.23988314034335 0.74965048249318 35.453 14 Cl 0.22459258520840 0.30664016096588 0.18144335100027 35.453 15 Cl 0.90357628313451 0.75966752818790 0.26103161663171 35.453 16 Cl 0.88537731144997 0.41273689992593 0.41303546765985 35.453 17 Cl 0.65054328442394 0.82422485218912 0.68058182190814 35.453 18 Cl 0.48349002219992 0.47594009768245 0.60648941490861 35.453 19 Cl 0.65054328442394 0.17577514781088 0.18058182190814 35.453 20 Cl 0.43398577344855 0.93003927245328 0.94373027787755 35.453 21 Cl 0.48349002219992 0.52405990231755 0.10648941490861 35.453 22 Cl 0.43398577344855 0.06996072754672 0.44373027787755 35.453 23 Cl 0.03422255464380 0.00306067222281 0.14965493097857 35.453 24 Cl 0.22459258520840 0.69335983903412 0.68144335100027 35.453 25 Cl 0.03422255464380 0.99693932777719 0.64965493097857 35.453 26 Cl 0.90357628313451 0.24033247181210 0.76103161663171 35.453 27 Cl 0.88537731144997 0.58726310007407 0.91303546765985 35.453 28 Cl 0.39329108131110 0.76011685965665 0.24965048249318 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.667204280647866 0.000000000000000 0.000000000000000 b 0.000000000000000 13.013978659999999 0.000000000000000 c -5.239361139178850 0.000000000000000 15.108489673057166 Atomic positions (fractional): 1 K 0.35013272481812 0.05540622797911 0.41421314477209 39.098 > 1 2 K 0.85013272481812 0.05540622797911 0.41421314477209 39.098 > 1 3 K 0.35013272481812 0.05540622797911 0.91421314477209 39.098 > 1 4 K 0.85013272481812 0.05540622797911 0.91421314477209 39.098 > 1 5 K 0.08670540377694 0.55816890178216 0.14503235118502 39.098 > 5 6 K 0.58670540377694 0.55816890178216 0.14503235118502 39.098 > 5 7 K 0.08670540377694 0.55816890178216 0.64503235118502 39.098 > 5 8 K 0.58670540377694 0.55816890178216 0.64503235118502 39.098 > 5 9 K 0.02830073527246 0.19022674885093 0.21325927837666 39.098 > 9 10 K 0.52830073527246 0.19022674885093 0.21325927837666 39.098 > 9 11 K 0.02830073527246 0.19022674885093 0.71325927837666 39.098 > 9 12 K 0.52830073527246 0.19022674885093 0.71325927837666 39.098 > 9 13 K 0.36499219725479 0.37732335497187 0.49652966981028 39.098 > 13 14 K 0.86499219725479 0.37732335497187 0.49652966981028 39.098 > 13 15 K 0.36499219725479 0.37732335497187 0.99652966981028 39.098 > 13 16 K 0.86499219725479 0.37732335497187 0.99652966981028 39.098 > 13 17 K 0.08670540377694 0.44183109821784 0.39503235118502 39.098 > 17 18 K 0.58670540377694 0.44183109821784 0.39503235118502 39.098 > 17 19 K 0.08670540377694 0.44183109821784 0.89503235118502 39.098 > 17 20 K 0.58670540377694 0.44183109821784 0.89503235118502 39.098 > 17 21 K 0.02830073527246 0.80977325114907 0.46325927837666 39.098 > 21 22 K 0.52830073527246 0.80977325114907 0.46325927837666 39.098 > 21 23 K 0.02830073527246 0.80977325114907 0.96325927837666 39.098 > 21 24 K 0.52830073527246 0.80977325114907 0.96325927837666 39.098 > 21 25 K 0.35013272481812 0.94459377202089 0.16421314477209 39.098 > 25 26 K 0.85013272481812 0.94459377202089 0.16421314477209 39.098 > 25 27 K 0.35013272481812 0.94459377202089 0.66421314477209 39.098 > 25 28 K 0.85013272481812 0.94459377202089 0.66421314477209 39.098 > 25 29 K 0.36499219725479 0.62267664502813 0.24652966981028 39.098 > 29 30 K 0.86499219725479 0.62267664502813 0.24652966981028 39.098 > 29 31 K 0.36499219725479 0.62267664502813 0.74652966981028 39.098 > 29 32 K 0.86499219725479 0.62267664502813 0.74652966981028 39.098 > 29 33 Sr 0.28714184484037 0.70559063932419 0.48041151353063 87.620 > 33 34 Sr 0.78714184484037 0.70559063932419 0.48041151353063 87.620 > 33 35 Sr 0.28714184484037 0.70559063932419 0.98041151353063 87.620 > 33 36 Sr 0.78714184484037 0.70559063932419 0.98041151353063 87.620 > 33 37 Sr 0.28714184484037 0.29440936067581 0.23041151353063 87.620 > 37 38 Sr 0.78714184484037 0.29440936067581 0.23041151353063 87.620 > 37 39 Sr 0.28714184484037 0.29440936067581 0.73041151353063 87.620 > 37 40 Sr 0.78714184484037 0.29440936067581 0.73041151353063 87.620 > 37 41 Sr 0.12818763612723 0.87707608165609 0.24344537059637 87.620 > 41 42 Sr 0.62818763612723 0.87707608165609 0.24344537059637 87.620 > 41 43 Sr 0.12818763612723 0.87707608165609 0.74344537059637 87.620 > 41 44 Sr 0.62818763612723 0.87707608165609 0.74344537059637 87.620 > 41 45 Sr 0.12818763612723 0.12292391834391 0.49344537059637 87.620 > 45 46 Sr 0.62818763612723 0.12292391834391 0.49344537059637 87.620 > 45 47 Sr 0.12818763612723 0.12292391834391 0.99344537059637 87.620 > 45 48 Sr 0.62818763612723 0.12292391834391 0.99344537059637 87.620 > 45 49 Cl 0.19664554065555 0.23988314034335 0.37482524124659 35.453 > 49 50 Cl 0.69664554065555 0.23988314034335 0.37482524124659 35.453 > 49 51 Cl 0.19664554065555 0.23988314034335 0.87482524124659 35.453 > 49 52 Cl 0.69664554065555 0.23988314034335 0.87482524124659 35.453 > 49 53 Cl 0.11229629260420 0.30664016096588 0.09072167550014 35.453 > 53 54 Cl 0.61229629260420 0.30664016096588 0.09072167550014 35.453 > 53 55 Cl 0.11229629260420 0.30664016096588 0.59072167550014 35.453 > 53 56 Cl 0.61229629260420 0.30664016096588 0.59072167550014 35.453 > 53 57 Cl 0.45178814156726 0.75966752818790 0.13051580831586 35.453 > 57 58 Cl 0.95178814156726 0.75966752818790 0.13051580831586 35.453 > 57 59 Cl 0.45178814156726 0.75966752818790 0.63051580831586 35.453 > 57 60 Cl 0.95178814156726 0.75966752818790 0.63051580831586 35.453 > 57 61 Cl 0.44268865572498 0.41273689992593 0.20651773382993 35.453 > 61 62 Cl 0.94268865572498 0.41273689992593 0.20651773382993 35.453 > 61 63 Cl 0.44268865572498 0.41273689992593 0.70651773382993 35.453 > 61 64 Cl 0.94268865572498 0.41273689992593 0.70651773382993 35.453 > 61 65 Cl 0.32527164221197 0.82422485218912 0.34029091095407 35.453 > 65 66 Cl 0.82527164221197 0.82422485218912 0.34029091095407 35.453 > 65 67 Cl 0.32527164221197 0.82422485218912 0.84029091095407 35.453 > 65 68 Cl 0.82527164221197 0.82422485218912 0.84029091095407 35.453 > 65 69 Cl 0.24174501109996 0.47594009768245 0.30324470745430 35.453 > 69 70 Cl 0.74174501109996 0.47594009768245 0.30324470745430 35.453 > 69 71 Cl 0.24174501109996 0.47594009768245 0.80324470745430 35.453 > 69 72 Cl 0.74174501109996 0.47594009768245 0.80324470745430 35.453 > 69 73 Cl 0.32527164221197 0.17577514781088 0.09029091095407 35.453 > 73 74 Cl 0.82527164221197 0.17577514781088 0.09029091095407 35.453 > 73 75 Cl 0.32527164221197 0.17577514781088 0.59029091095407 35.453 > 73 76 Cl 0.82527164221197 0.17577514781088 0.59029091095407 35.453 > 73 77 Cl 0.21699288672427 0.93003927245328 0.47186513893878 35.453 > 77 78 Cl 0.71699288672427 0.93003927245328 0.47186513893878 35.453 > 77 79 Cl 0.21699288672427 0.93003927245328 0.97186513893878 35.453 > 77 80 Cl 0.71699288672427 0.93003927245328 0.97186513893878 35.453 > 77 81 Cl 0.24174501109996 0.52405990231755 0.05324470745430 35.453 > 81 82 Cl 0.74174501109996 0.52405990231755 0.05324470745430 35.453 > 81 83 Cl 0.24174501109996 0.52405990231755 0.55324470745430 35.453 > 81 84 Cl 0.74174501109996 0.52405990231755 0.55324470745430 35.453 > 81 85 Cl 0.21699288672427 0.06996072754672 0.22186513893878 35.453 > 85 86 Cl 0.71699288672427 0.06996072754672 0.22186513893878 35.453 > 85 87 Cl 0.21699288672427 0.06996072754672 0.72186513893878 35.453 > 85 88 Cl 0.71699288672427 0.06996072754672 0.72186513893878 35.453 > 85 89 Cl 0.01711127732190 0.00306067222281 0.07482746548928 35.453 > 89 90 Cl 0.51711127732190 0.00306067222281 0.07482746548928 35.453 > 89 91 Cl 0.01711127732190 0.00306067222281 0.57482746548928 35.453 > 89 92 Cl 0.51711127732190 0.00306067222281 0.57482746548928 35.453 > 89 93 Cl 0.11229629260420 0.69335983903412 0.34072167550014 35.453 > 93 94 Cl 0.61229629260420 0.69335983903412 0.34072167550014 35.453 > 93 95 Cl 0.11229629260420 0.69335983903412 0.84072167550014 35.453 > 93 96 Cl 0.61229629260420 0.69335983903412 0.84072167550014 35.453 > 93 97 Cl 0.01711127732190 0.99693932777719 0.32482746548928 35.453 > 97 98 Cl 0.51711127732190 0.99693932777719 0.32482746548928 35.453 > 97 99 Cl 0.01711127732190 0.99693932777719 0.82482746548928 35.453 > 97 100 Cl 0.51711127732190 0.99693932777719 0.82482746548928 35.453 > 97 101 Cl 0.45178814156726 0.24033247181210 0.38051580831586 35.453 > 101 102 Cl 0.95178814156726 0.24033247181210 0.38051580831586 35.453 > 101 103 Cl 0.45178814156726 0.24033247181210 0.88051580831586 35.453 > 101 104 Cl 0.95178814156726 0.24033247181210 0.88051580831586 35.453 > 101 105 Cl 0.44268865572498 0.58726310007407 0.45651773382993 35.453 > 105 106 Cl 0.94268865572498 0.58726310007407 0.45651773382993 35.453 > 105 107 Cl 0.44268865572498 0.58726310007407 0.95651773382993 35.453 > 105 108 Cl 0.94268865572498 0.58726310007407 0.95651773382993 35.453 > 105 109 Cl 0.19664554065555 0.76011685965665 0.12482524124659 35.453 > 109 110 Cl 0.69664554065555 0.76011685965665 0.12482524124659 35.453 > 109 111 Cl 0.19664554065555 0.76011685965665 0.62482524124659 35.453 > 109 112 Cl 0.69664554065555 0.76011685965665 0.62482524124659 35.453 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7779242 0.0000000 -0.0008427 0.0000000 2.8008175 0.0000000 -0.0008412 0.0000000 2.7980873 -------------------------- Born effective charges -------------------------- 1 K 1.2192466 0.0109494 0.0090853 0.0023399 1.1272727 0.0198978 0.0022874 0.0014096 1.1547451 2 K 1.2291913 -0.0375567 0.0481963 -0.0255150 1.2840896 -0.0568400 0.0147524 -0.0316744 1.1569370 3 K 1.2203798 -0.0818752 -0.0048326 -0.0689051 1.1185707 -0.0008324 -0.0022190 0.0023735 1.1447811 4 K 1.1077160 0.0033819 -0.0265785 -0.0218491 1.2562545 0.0167022 -0.0043729 -0.0076932 1.2192775 5 K 1.2291913 0.0375567 0.0481963 0.0255150 1.2840896 0.0568400 0.0147524 0.0316744 1.1569370 6 K 1.2203798 0.0818752 -0.0048326 0.0689051 1.1185707 0.0008324 -0.0022190 -0.0023735 1.1447811 7 K 1.2192466 -0.0109494 0.0090853 -0.0023399 1.1272727 -0.0198978 0.0022874 -0.0014096 1.1547451 8 K 1.1077160 -0.0033819 -0.0265785 0.0218491 1.2562545 -0.0167022 -0.0043729 0.0076932 1.2192775 9 Sr 2.4079940 -0.0756983 -0.0071959 -0.0736593 2.4577950 -0.1221569 -0.0226112 -0.1298731 2.4120112 10 Sr 2.4079940 0.0756983 -0.0071959 0.0736593 2.4577950 0.1221569 -0.0226112 0.1298731 2.4120112 11 Sr 2.3522355 -0.0334534 -0.0271167 -0.0558511 2.4305103 -0.0493054 -0.0007364 -0.0436252 2.5109147 12 Sr 2.3522355 0.0334534 -0.0271167 0.0558511 2.4305103 0.0493054 -0.0007364 0.0436252 2.5109147 13 Cl -1.2942771 -0.1672650 0.2681586 -0.1562858 -1.0684735 0.1438882 0.2609218 0.1815202 -1.2534105 14 Cl -1.0967372 0.0968031 -0.1302685 0.0926765 -1.2392877 -0.1135953 -0.1241327 -0.1089985 -1.2742096 15 Cl -1.3552839 -0.1561400 -0.2920218 -0.1349227 -1.0567919 -0.1478169 -0.2601355 -0.1362215 -1.2402023 16 Cl -1.2802478 -0.1652405 0.0106739 -0.1540328 -1.2366984 0.0006647 0.0122844 0.0027782 -1.0581658 17 Cl -1.2259568 -0.0047105 -0.0279573 0.0217367 -1.0985694 0.1916310 -0.0357776 0.1954991 -1.2429622 18 Cl -1.0569168 0.1130819 0.0916288 0.1508744 -1.4008014 -0.1125213 0.0978308 -0.1122054 -1.1327207 19 Cl -1.2259568 0.0047105 -0.0279573 -0.0217367 -1.0985694 -0.1916310 -0.0357776 -0.1954991 -1.2429622 20 Cl -1.0508743 0.2026861 0.0129358 0.2150711 -1.4644974 -0.0811311 -0.0122228 -0.0678014 -1.0924322 21 Cl -1.0569168 -0.1130819 0.0916288 -0.1508744 -1.4008014 0.1125213 0.0978308 0.1122054 -1.1327207 22 Cl -1.0508743 -0.2026861 0.0129358 -0.2150711 -1.4644974 0.0811311 -0.0122228 0.0678014 -1.0924322 23 Cl -1.1764692 -0.1094686 0.0752924 -0.0960600 -1.1093732 0.1793625 0.0741315 0.1769262 -1.3045631 24 Cl -1.0967372 -0.0968031 -0.1302685 -0.0926765 -1.2392877 0.1135953 -0.1241327 0.1089985 -1.2742096 25 Cl -1.1764692 0.1094686 0.0752924 0.0960600 -1.1093732 -0.1793625 0.0741315 -0.1769262 -1.3045631 26 Cl -1.3552839 0.1561400 -0.2920218 0.1349227 -1.0567919 0.1478169 -0.2601355 0.1362215 -1.2402023 27 Cl -1.2802478 0.1652405 0.0106739 0.1540328 -1.2366984 -0.0006647 0.0122844 -0.0027782 -1.0581658 28 Cl -1.2942771 0.1672650 0.2681586 0.1562858 -1.0684735 -0.1438882 0.2609218 -0.1815202 -1.2534105 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 4 7 ] 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: 0.45, Number of G-points: 291, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.108 ( 0.000 0.000 0.000) 0.000 1.260 ( 0.000 0.000 0.000) 0.000 1.329 ( 0.000 0.000 0.000) 0.000 1.518 ( 0.000 0.000 0.000) 0.000 1.589 ( 0.000 0.000 0.000) 0.000 1.609 ( 0.000 0.000 0.000) 0.000 1.748 ( 0.000 0.000 0.000) 0.000 1.931 ( 0.000 0.000 0.000) 0.000 2.014 ( 0.000 0.000 0.000) 0.000 2.142 ( 0.000 0.000 0.000) 0.000 2.189 ( 0.000 0.000 0.000) 0.000 2.267 ( 0.000 0.000 0.000) 0.000 2.345 ( 0.000 0.000 0.000) 0.000 2.424 ( 0.000 0.000 0.000) 0.000 2.464 ( 0.000 0.000 0.000) 0.000 2.501 ( 0.000 0.000 0.000) 0.000 2.546 ( 0.000 0.000 0.000) 0.000 2.569 ( 0.000 0.000 0.000) 0.000 2.643 ( 0.000 0.000 0.000) 0.000 2.652 ( 0.000 0.000 0.000) 0.000 2.718 ( 0.000 0.000 0.000) 0.000 2.726 ( 0.000 0.000 0.000) 0.000 2.869 ( 0.000 0.000 0.000) 0.000 2.924 ( 0.000 0.000 0.000) 0.000 2.998 ( 0.000 0.000 0.000) 0.000 3.030 ( 0.000 0.000 0.000) 0.000 3.053 ( 0.000 0.000 0.000) 0.000 3.088 ( 0.000 0.000 0.000) 0.000 3.129 ( 0.000 0.000 0.000) 0.000 3.166 ( 0.000 0.000 0.000) 0.000 3.188 ( 0.000 0.000 0.000) 0.000 3.259 ( 0.000 0.000 0.000) 0.000 3.323 ( 0.000 0.000 0.000) 0.000 3.356 ( 0.000 0.000 0.000) 0.000 3.373 ( 0.000 0.000 0.000) 0.000 3.443 ( 0.000 0.000 0.000) 0.000 3.452 ( 0.000 0.000 0.000) 0.000 3.550 ( 0.000 0.000 0.000) 0.000 3.696 ( 0.000 0.000 0.000) 0.000 3.711 ( 0.000 0.000 0.000) 0.000 3.776 ( 0.000 0.000 0.000) 0.000 3.802 ( 0.000 0.000 0.000) 0.000 3.908 ( 0.000 0.000 0.000) 0.000 4.002 ( 0.000 0.000 0.000) 0.000 4.036 ( 0.000 0.000 0.000) 0.000 4.040 ( 0.000 0.000 0.000) 0.000 4.093 ( 0.000 0.000 0.000) 0.000 4.111 ( 0.000 0.000 0.000) 0.000 4.254 ( 0.000 0.000 0.000) 0.000 4.260 ( 0.000 0.000 0.000) 0.000 4.290 ( 0.000 0.000 0.000) 0.000 4.380 ( 0.000 0.000 0.000) 0.000 4.395 ( 0.000 0.000 0.000) 0.000 4.425 ( 0.000 0.000 0.000) 0.000 4.480 ( 0.000 0.000 0.000) 0.000 4.507 ( 0.000 0.000 0.000) 0.000 4.580 ( 0.000 0.000 0.000) 0.000 4.583 ( 0.000 0.000 0.000) 0.000 4.608 ( 0.000 0.000 0.000) 0.000 4.658 ( 0.000 0.000 0.000) 0.000 4.682 ( 0.000 0.000 0.000) 0.000 4.684 ( 0.000 0.000 0.000) 0.000 4.746 ( 0.000 0.000 0.000) 0.000 4.759 ( 0.000 0.000 0.000) 0.000 4.837 ( 0.000 0.000 0.000) 0.000 4.850 ( 0.000 0.000 0.000) 0.000 4.968 ( 0.000 0.000 0.000) 0.000 5.023 ( 0.000 0.000 0.000) 0.000 5.033 ( 0.000 0.000 0.000) 0.000 5.056 ( 0.000 0.000 0.000) 0.000 5.193 ( 0.000 0.000 0.000) 0.000 5.282 ( 0.000 0.000 0.000) 0.000 5.350 ( 0.000 0.000 0.000) 0.000 5.546 ( 0.000 0.000 0.000) 0.000 5.582 ( 0.000 0.000 0.000) 0.000 5.633 ( 0.000 0.000 0.000) 0.000 5.644 ( 0.000 0.000 0.000) 0.000 5.712 ( 0.000 0.000 0.000) 0.000 5.991 ( 0.000 0.000 0.000) 0.000 6.281 ( 0.000 0.000 0.000) 0.000 6.463 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.384 ( 20.633 0.000 0.112) 20.633 0.420 ( 22.622 0.000 0.157) 22.622 0.715 ( 31.198 0.000 19.213) 36.639 1.170 ( 3.902 0.000 7.340) 8.312 1.356 ( 6.820 0.000 6.045) 9.114 1.385 ( 3.097 0.000 6.502) 7.202 1.521 ( -2.577 0.000 2.505) 3.594 1.638 ( 3.585 0.000 4.355) 5.640 1.659 ( 3.702 0.000 3.595) 5.161 1.823 ( 0.215 0.000 1.692) 1.705 1.942 ( 1.531 0.000 -0.333) 1.566 2.025 ( 1.040 0.000 0.943) 1.404 2.148 ( -0.631 0.000 -1.827) 1.933 2.237 ( 2.642 0.000 3.990) 4.785 2.261 ( -2.991 0.000 2.007) 3.602 2.317 ( -0.562 0.000 2.174) 2.245 2.383 ( -3.672 0.000 -0.691) 3.737 2.433 ( -2.999 0.000 3.865) 4.892 2.508 ( 0.032 0.000 3.303) 3.303 2.580 ( 2.268 0.000 0.270) 2.284 2.589 ( 1.388 0.000 -0.857) 1.631 2.655 ( 0.450 0.000 0.840) 0.953 2.657 ( -2.978 0.000 2.689) 4.012 2.713 ( -0.276 0.000 1.081) 1.115 2.767 ( 1.914 0.000 0.893) 2.112 2.895 ( 2.342 0.000 -1.242) 2.652 2.907 ( -1.493 0.000 -0.716) 1.655 2.990 ( -3.855 0.000 -1.036) 3.992 3.005 ( -1.776 0.000 1.847) 2.562 3.062 ( 2.711 0.000 -3.497) 4.425 3.104 ( 0.434 0.000 -1.940) 1.988 3.117 ( 0.417 0.000 0.191) 0.458 3.184 ( -0.452 0.000 1.554) 1.618 3.219 ( 2.829 0.000 -6.308) 6.914 3.278 ( 2.183 0.000 1.340) 2.562 3.325 ( 0.854 0.000 -0.573) 1.028 3.377 ( -2.974 0.000 2.725) 4.034 3.400 ( 3.213 0.000 -2.363) 3.989 3.422 ( -1.040 0.000 -3.037) 3.210 3.491 ( 3.454 0.000 0.762) 3.537 3.551 ( -0.329 0.000 0.512) 0.608 3.681 ( -2.368 0.000 -0.219) 2.378 3.697 ( -0.837 0.000 -6.273) 6.328 3.757 ( -1.432 0.000 -2.707) 3.062 3.816 ( 1.489 0.000 -2.368) 2.797 3.864 ( -1.354 0.000 -6.756) 6.890 3.972 ( -3.584 0.000 -7.693) 8.487 3.974 ( -4.528 0.000 -4.656) 6.495 4.022 ( -2.517 0.000 -2.343) 3.439 4.060 ( -2.355 0.000 0.090) 2.357 4.161 ( -2.321 0.000 -2.461) 3.383 4.211 ( -2.506 0.000 -6.668) 7.123 4.261 ( -7.968 0.000 -5.897) 9.913 4.291 ( -0.715 0.000 -1.619) 1.769 4.325 ( -4.001 0.000 -3.090) 5.055 4.367 ( -7.089 0.000 -1.448) 7.235 4.453 ( -0.235 0.000 1.770) 1.786 4.473 ( -3.286 0.000 1.285) 3.528 4.548 ( 1.129 0.000 -1.012) 1.516 4.559 ( -0.457 0.000 -0.446) 0.638 4.642 ( -1.238 0.000 2.819) 3.079 4.647 ( 0.911 0.000 0.264) 0.948 4.698 ( 0.672 0.000 0.529) 0.855 4.719 ( 1.779 0.000 2.714) 3.245 4.794 ( 2.097 0.000 1.727) 2.716 4.797 ( 3.729 0.000 -2.541) 4.512 4.835 ( 4.745 0.000 2.520) 5.372 4.861 ( 0.441 0.000 2.250) 2.293 4.969 ( 0.046 0.000 0.058) 0.074 5.000 ( -0.446 0.000 0.341) 0.562 5.103 ( 5.399 0.000 3.832) 6.621 5.108 ( 2.627 0.000 3.086) 4.052 5.252 ( 3.717 0.000 5.733) 6.832 5.323 ( 2.852 0.000 4.101) 4.996 5.361 ( 1.091 0.000 -0.220) 1.112 5.503 ( -1.561 0.000 6.835) 7.011 5.579 ( -1.185 0.000 2.397) 2.674 5.590 ( 1.594 0.000 -0.296) 1.621 5.640 ( 0.383 0.000 -0.048) 0.386 5.739 ( 1.752 0.000 3.640) 4.040 5.958 ( -0.757 0.000 5.143) 5.198 6.232 ( -4.201 0.000 -1.476) 4.453 6.425 ( -3.622 0.000 -0.787) 3.707 6.589 ( 0.994 0.000 -8.998) 9.053 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 18.891 0.000 0.276) 18.893 0.816 ( 20.557 0.000 -0.409) 20.561 1.310 ( 4.325 0.000 8.796) 9.801 1.328 ( 19.954 0.000 13.880) 24.307 1.477 ( 0.360 0.000 1.624) 1.663 1.493 ( 3.439 0.000 6.976) 7.777 1.559 ( 8.143 0.000 6.416) 10.367 1.739 ( 0.406 0.000 4.169) 4.189 1.765 ( 3.785 0.000 8.025) 8.872 1.825 ( 0.776 0.000 1.783) 1.944 1.996 ( 4.602 0.000 0.773) 4.667 2.045 ( -3.482 0.000 -1.558) 3.814 2.089 ( 2.445 0.000 -2.875) 3.774 2.216 ( -2.271 0.000 4.211) 4.784 2.245 ( -3.904 0.000 0.861) 3.998 2.345 ( -2.447 0.000 3.308) 4.115 2.398 ( 4.952 0.000 4.444) 6.654 2.447 ( 2.215 0.000 6.093) 6.484 2.515 ( -1.696 0.000 0.359) 1.733 2.583 ( -1.501 0.000 0.128) 1.507 2.603 ( 2.094 0.000 -2.467) 3.236 2.654 ( -0.103 0.000 4.390) 4.391 2.665 ( -2.794 0.000 6.242) 6.839 2.747 ( 4.024 0.000 1.347) 4.243 2.795 ( 0.438 0.000 2.807) 2.841 2.884 ( -0.620 0.000 0.197) 0.650 2.920 ( 0.637 0.000 0.417) 0.761 2.930 ( -3.225 0.000 0.004) 3.225 2.969 ( -3.352 0.000 -0.742) 3.433 3.060 ( 1.428 0.000 -4.206) 4.442 3.109 ( 0.794 0.000 -1.517) 1.712 3.169 ( 3.085 0.000 0.394) 3.110 3.172 ( -3.508 0.000 -6.329) 7.236 3.211 ( 2.881 0.000 0.091) 2.882 3.280 ( -1.683 0.000 -2.202) 2.771 3.344 ( 1.588 0.000 -0.686) 1.730 3.352 ( 0.050 0.000 -2.228) 2.229 3.410 ( 0.711 0.000 -3.054) 3.136 3.427 ( 1.590 0.000 -2.459) 2.928 3.522 ( -1.393 0.000 -4.678) 4.881 3.538 ( 0.127 0.000 -2.656) 2.659 3.607 ( -3.353 0.000 1.134) 3.539 3.634 ( -0.285 0.000 -6.408) 6.414 3.684 ( -2.219 0.000 -8.106) 8.404 3.781 ( -3.698 0.000 -6.294) 7.300 3.793 ( -2.188 0.000 -2.227) 3.122 3.880 ( -3.179 0.000 -3.320) 4.597 3.895 ( -1.181 0.000 -3.303) 3.508 3.957 ( -4.683 0.000 -2.431) 5.277 3.991 ( -3.339 0.000 -4.467) 5.577 4.014 ( -3.380 0.000 -5.067) 6.091 4.102 ( -4.071 0.000 -4.845) 6.329 4.164 ( -2.852 0.000 0.125) 2.854 4.192 ( -3.755 0.000 -3.101) 4.870 4.252 ( -4.135 0.000 -2.109) 4.642 4.320 ( 0.894 0.000 0.959) 1.311 4.399 ( -5.142 0.000 0.979) 5.235 4.449 ( 0.172 0.000 0.546) 0.572 4.564 ( -1.562 0.000 2.160) 2.666 4.564 ( 0.430 0.000 0.666) 0.793 4.646 ( -0.038 0.000 -0.676) 0.677 4.659 ( 1.255 0.000 2.098) 2.445 4.724 ( 1.004 0.000 2.563) 2.753 4.758 ( 1.025 0.000 2.103) 2.340 4.816 ( -0.212 0.000 2.443) 2.452 4.836 ( 2.883 0.000 -3.808) 4.776 4.882 ( 1.733 0.000 -1.469) 2.272 4.924 ( 1.175 0.000 -1.148) 1.642 5.008 ( -0.945 0.000 3.843) 3.958 5.019 ( 5.615 0.000 2.515) 6.152 5.186 ( 3.718 0.000 3.024) 4.793 5.219 ( 4.050 0.000 2.693) 4.864 5.343 ( 1.758 0.000 1.488) 2.303 5.396 ( 2.766 0.000 2.348) 3.628 5.396 ( 2.098 0.000 3.197) 3.824 5.529 ( 1.631 0.000 1.416) 2.160 5.573 ( -1.081 0.000 2.743) 2.949 5.626 ( 1.516 0.000 1.478) 2.117 5.640 ( -0.426 0.000 0.608) 0.742 5.810 ( 2.604 0.000 4.513) 5.210 5.984 ( -0.140 0.000 3.977) 3.980 6.132 ( -4.642 0.000 -0.948) 4.738 6.334 ( -5.189 0.000 -1.319) 5.354 6.534 ( -2.236 0.000 -4.420) 4.954 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 12.962 0.000 0.265) 12.965 1.135 ( 13.036 0.000 -1.132) 13.086 1.363 ( -3.695 0.000 2.775) 4.621 1.417 ( -3.230 0.000 3.469) 4.740 1.560 ( 1.726 0.000 -0.693) 1.860 1.585 ( 2.249 0.000 4.478) 5.011 1.691 ( -3.567 0.000 1.890) 4.037 1.725 ( -1.534 0.000 0.652) 1.667 1.846 ( 6.025 0.000 2.478) 6.514 1.968 ( -2.265 0.000 -0.865) 2.424 1.989 ( 8.180 0.000 6.986) 10.757 2.113 ( 0.334 0.000 -2.360) 2.383 2.126 ( 4.992 0.000 2.405) 5.541 2.211 ( 0.606 0.000 1.490) 1.608 2.254 ( 2.325 0.000 2.608) 3.494 2.316 ( -1.271 0.000 2.752) 3.031 2.479 ( -0.027 0.000 0.185) 0.187 2.500 ( 0.128 0.000 1.045) 1.053 2.510 ( 2.077 0.000 2.637) 3.356 2.548 ( -0.449 0.000 -0.705) 0.836 2.621 ( -1.641 0.000 2.779) 3.227 2.668 ( -2.677 0.000 4.247) 5.020 2.693 ( 5.353 0.000 1.012) 5.448 2.793 ( -1.628 0.000 -1.669) 2.331 2.802 ( -2.934 0.000 -1.142) 3.149 2.849 ( -5.650 0.000 -2.762) 6.289 2.888 ( 0.150 0.000 2.306) 2.311 2.919 ( 2.286 0.000 1.762) 2.886 2.941 ( 2.188 0.000 1.536) 2.673 3.056 ( -0.979 0.000 -0.482) 1.092 3.069 ( -2.553 0.000 -1.565) 2.994 3.119 ( 0.883 0.000 -0.735) 1.149 3.209 ( -2.511 0.000 -5.965) 6.473 3.221 ( 2.352 0.000 -2.283) 3.278 3.264 ( 1.642 0.000 3.169) 3.569 3.337 ( -1.086 0.000 -1.629) 1.958 3.358 ( 0.475 0.000 -3.953) 3.981 3.365 ( -0.712 0.000 -2.546) 2.644 3.391 ( -2.807 0.000 -1.439) 3.155 3.470 ( 1.139 0.000 -3.879) 4.043 3.544 ( 1.497 0.000 -2.004) 2.501 3.576 ( -1.252 0.000 0.776) 1.473 3.618 ( -0.636 0.000 -0.998) 1.183 3.654 ( 3.090 0.000 2.421) 3.925 3.666 ( -4.097 0.000 -6.027) 7.287 3.747 ( -1.851 0.000 -1.315) 2.271 3.791 ( -3.000 0.000 -3.557) 4.653 3.847 ( -3.474 0.000 -0.601) 3.525 3.861 ( -0.086 0.000 -0.669) 0.674 3.932 ( -0.485 0.000 -3.539) 3.572 4.024 ( 3.271 0.000 -1.123) 3.459 4.027 ( -2.346 0.000 -0.269) 2.361 4.109 ( -3.596 0.000 0.230) 3.604 4.139 ( -1.180 0.000 -0.274) 1.212 4.206 ( -0.082 0.000 -0.502) 0.509 4.320 ( -3.135 0.000 0.362) 3.155 4.340 ( 0.586 0.000 0.256) 0.640 4.473 ( 2.048 0.000 -0.682) 2.158 4.533 ( -2.664 0.000 2.458) 3.624 4.570 ( -0.310 0.000 0.856) 0.910 4.650 ( 0.702 0.000 -0.734) 1.015 4.690 ( 0.851 0.000 0.393) 0.937 4.756 ( 0.734 0.000 1.379) 1.562 4.787 ( 1.182 0.000 0.694) 1.370 4.816 ( -1.135 0.000 1.335) 1.753 4.845 ( 0.185 0.000 -1.138) 1.153 4.911 ( 2.013 0.000 -1.919) 2.781 4.919 ( -0.225 0.000 -0.645) 0.683 5.006 ( -1.082 0.000 2.104) 2.366 5.122 ( 2.957 0.000 1.337) 3.245 5.263 ( 2.519 0.000 1.395) 2.880 5.274 ( 1.050 0.000 0.673) 1.248 5.349 ( -0.477 0.000 -0.513) 0.700 5.435 ( 0.732 0.000 0.820) 1.099 5.451 ( 1.126 0.000 1.282) 1.706 5.571 ( 2.245 0.000 -1.096) 2.499 5.578 ( 0.003 0.000 1.378) 1.378 5.636 ( -0.317 0.000 0.513) 0.603 5.651 ( -0.065 0.000 1.830) 1.831 5.873 ( 1.493 0.000 2.138) 2.607 5.965 ( -2.800 0.000 1.383) 3.123 6.105 ( 0.962 0.000 0.474) 1.072 6.245 ( -2.865 0.000 -0.886) 2.999 6.469 ( -1.862 0.000 -1.833) 2.612 ======================= Grid point 7 (5/75) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( 0.000 16.577 0.000) 16.577 0.440 ( 0.000 21.867 0.000) 21.867 0.642 ( 0.000 28.506 0.000) 28.506 0.941 ( 0.000 -11.679 0.000) 11.679 1.262 ( 0.000 -12.725 0.000) 12.725 1.306 ( 0.000 -1.020 0.000) 1.020 1.428 ( 0.000 6.300 0.000) 6.300 1.590 ( 0.000 -0.851 0.000) 0.851 1.695 ( 0.000 5.031 0.000) 5.031 1.860 ( 0.000 6.284 0.000) 6.284 1.876 ( 0.000 -4.612 0.000) 4.612 1.981 ( 0.000 -4.913 0.000) 4.913 2.076 ( 0.000 -8.457 0.000) 8.457 2.108 ( 0.000 -3.698 0.000) 3.698 2.296 ( 0.000 -0.695 0.000) 0.695 2.366 ( 0.000 -1.118 0.000) 1.118 2.436 ( 0.000 0.616 0.000) 0.616 2.471 ( 0.000 -1.029 0.000) 1.029 2.502 ( 0.000 0.886 0.000) 0.886 2.554 ( 0.000 2.907 0.000) 2.907 2.592 ( 0.000 0.230 0.000) 0.230 2.624 ( 0.000 -3.628 0.000) 3.628 2.658 ( 0.000 -3.896 0.000) 3.896 2.677 ( 0.000 3.575 0.000) 3.575 2.779 ( 0.000 -4.974 0.000) 4.974 2.817 ( 0.000 5.835 0.000) 5.835 2.897 ( 0.000 -1.697 0.000) 1.697 2.985 ( 0.000 -0.627 0.000) 0.627 3.019 ( 0.000 -1.151 0.000) 1.151 3.053 ( 0.000 -1.336 0.000) 1.336 3.114 ( 0.000 -0.352 0.000) 0.352 3.137 ( 0.000 -4.563 0.000) 4.563 3.167 ( 0.000 -2.310 0.000) 2.310 3.207 ( 0.000 -1.567 0.000) 1.567 3.294 ( 0.000 1.040 0.000) 1.040 3.335 ( 0.000 4.103 0.000) 4.103 3.386 ( 0.000 -0.051 0.000) 0.051 3.409 ( 0.000 0.661 0.000) 0.661 3.492 ( 0.000 4.118 0.000) 4.118 3.530 ( 0.000 3.682 0.000) 3.682 3.599 ( 0.000 6.279 0.000) 6.279 3.716 ( 0.000 -1.738 0.000) 1.738 3.734 ( 0.000 1.299 0.000) 1.299 3.749 ( 0.000 0.915 0.000) 0.915 3.831 ( 0.000 1.127 0.000) 1.127 3.900 ( 0.000 1.055 0.000) 1.055 3.993 ( 0.000 -0.515 0.000) 0.515 4.071 ( 0.000 1.798 0.000) 1.798 4.098 ( 0.000 1.518 0.000) 1.518 4.114 ( 0.000 1.962 0.000) 1.962 4.182 ( 0.000 -1.742 0.000) 1.742 4.240 ( 0.000 -0.685 0.000) 0.685 4.299 ( 0.000 1.681 0.000) 1.681 4.341 ( 0.000 0.517 0.000) 0.517 4.364 ( 0.000 -2.204 0.000) 2.204 4.404 ( 0.000 -0.850 0.000) 0.850 4.419 ( 0.000 -2.536 0.000) 2.536 4.448 ( 0.000 -2.712 0.000) 2.712 4.486 ( 0.000 -2.722 0.000) 2.722 4.541 ( 0.000 -2.794 0.000) 2.794 4.569 ( 0.000 -2.226 0.000) 2.226 4.594 ( 0.000 -3.389 0.000) 3.389 4.626 ( 0.000 0.358 0.000) 0.358 4.703 ( 0.000 -0.165 0.000) 0.165 4.746 ( 0.000 0.576 0.000) 0.576 4.822 ( 0.000 2.059 0.000) 2.059 4.840 ( 0.000 3.165 0.000) 3.165 4.877 ( 0.000 3.414 0.000) 3.414 4.955 ( 0.000 -0.572 0.000) 0.572 4.998 ( 0.000 0.972 0.000) 0.972 5.033 ( 0.000 0.049 0.000) 0.049 5.080 ( 0.000 3.117 0.000) 3.117 5.179 ( 0.000 -0.741 0.000) 0.741 5.271 ( 0.000 -1.484 0.000) 1.484 5.309 ( 0.000 -1.048 0.000) 1.048 5.411 ( 0.000 -1.477 0.000) 1.477 5.565 ( 0.000 1.704 0.000) 1.704 5.615 ( 0.000 0.198 0.000) 0.198 5.652 ( 0.000 0.879 0.000) 0.879 5.694 ( 0.000 1.757 0.000) 1.757 5.979 ( 0.000 -1.216 0.000) 1.216 6.181 ( 0.000 -6.303 0.000) 6.303 6.549 ( 0.000 6.699 0.000) 6.699 6.839 ( 0.000 -2.443 0.000) 2.443 ======================= Grid point 8 (6/75) ======================= q-point: ( 0.14 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 7.287 16.017 5.105) 18.323 0.618 ( 16.782 10.186 11.501) 22.752 0.895 ( 20.130 12.709 5.674) 24.473 1.059 ( 8.652 -8.001 9.417) 15.085 1.297 ( 3.553 -10.461 1.484) 11.147 1.360 ( 3.133 -1.745 6.503) 7.426 1.492 ( 3.853 7.111 6.091) 10.125 1.618 ( 0.488 -2.953 4.767) 5.629 1.722 ( 1.957 4.160 1.831) 4.948 1.885 ( 1.362 -1.951 1.241) 2.684 1.897 ( 2.553 2.787 1.151) 3.951 2.008 ( 2.062 -2.060 1.810) 3.431 2.102 ( 2.286 -6.205 0.133) 6.614 2.177 ( 4.626 -2.892 3.019) 6.235 2.283 ( -3.516 -0.095 0.576) 3.564 2.319 ( 0.441 -0.171 1.230) 1.318 2.415 ( -3.644 2.442 -1.271) 4.567 2.460 ( -1.667 2.243 1.683) 3.262 2.496 ( 0.124 -2.347 -1.418) 2.745 2.556 ( 0.223 -1.278 2.755) 3.045 2.606 ( 0.833 -2.966 -0.399) 3.106 2.637 ( 1.742 0.656 1.378) 2.316 2.656 ( 0.452 0.330 0.207) 0.597 2.705 ( -1.156 1.469 2.901) 3.452 2.748 ( -0.823 -3.986 0.745) 4.138 2.837 ( 0.896 4.287 -0.565) 4.416 2.883 ( 0.786 -2.413 -2.778) 3.763 2.972 ( -2.129 -1.226 2.287) 3.357 3.024 ( -1.320 -0.037 0.232) 1.341 3.065 ( 0.775 -0.082 0.726) 1.065 3.100 ( -0.014 -4.053 -1.460) 4.308 3.118 ( -0.413 -3.975 -0.300) 4.008 3.168 ( 0.451 -1.880 -2.289) 2.996 3.201 ( -0.120 1.578 -0.885) 1.813 3.279 ( -1.986 0.393 1.266) 2.388 3.330 ( -0.244 2.394 0.002) 2.407 3.382 ( -0.126 0.772 -0.840) 1.148 3.400 ( -0.528 0.725 -0.436) 0.997 3.489 ( -0.025 3.065 -1.681) 3.495 3.528 ( 0.033 0.514 -1.625) 1.705 3.614 ( 1.497 6.476 -1.719) 6.866 3.660 ( -3.659 -0.527 -1.476) 3.981 3.721 ( -0.789 1.447 -3.631) 3.988 3.760 ( 1.877 0.827 -3.380) 3.954 3.842 ( 1.121 0.022 -1.344) 1.750 3.865 ( -2.175 2.681 -1.600) 3.805 3.953 ( -3.893 -0.644 -5.252) 6.569 3.987 ( -3.012 0.162 -7.089) 7.704 4.052 ( -3.351 2.004 -2.801) 4.805 4.096 ( -0.911 1.596 -4.994) 5.322 4.152 ( -2.166 0.325 -3.063) 3.765 4.204 ( -6.124 -1.479 -3.921) 7.421 4.246 ( -7.198 -0.296 -6.055) 9.411 4.279 ( -1.531 0.185 -4.123) 4.402 4.334 ( -1.849 1.550 -0.235) 2.424 4.373 ( -1.420 -0.326 -4.005) 4.262 4.425 ( -1.395 -2.868 -0.960) 3.330 4.440 ( -1.636 -2.677 -3.980) 5.068 4.495 ( 1.766 -3.944 2.238) 4.866 4.532 ( 3.735 -3.009 1.963) 5.183 4.559 ( 1.373 -2.807 0.240) 3.134 4.629 ( 1.218 -3.734 -0.089) 3.929 4.650 ( 1.491 -1.077 0.947) 2.069 4.752 ( 0.913 1.297 2.933) 3.334 4.765 ( 2.555 0.002 0.991) 2.741 4.831 ( 0.362 0.432 2.088) 2.163 4.862 ( 0.485 1.748 1.195) 2.172 4.911 ( 3.364 3.497 0.693) 4.902 4.970 ( -0.714 0.092 -0.381) 0.814 5.015 ( 1.370 1.417 2.860) 3.473 5.092 ( 3.557 -1.421 4.056) 5.579 5.122 ( 3.875 2.474 2.871) 5.420 5.233 ( 3.644 -0.998 5.835) 6.951 5.306 ( 2.448 -1.843 2.834) 4.173 5.367 ( 3.514 0.488 2.675) 4.443 5.453 ( 0.945 -3.233 6.688) 7.489 5.556 ( -0.567 1.417 -1.632) 2.234 5.608 ( -0.799 0.926 0.748) 1.434 5.653 ( 0.844 0.574 -0.442) 1.113 5.724 ( 1.718 -0.086 2.968) 3.431 5.984 ( -0.762 -0.941 3.817) 4.005 6.159 ( -2.612 -4.323 1.750) 5.345 6.517 ( -3.681 6.233 -1.305) 7.356 6.677 ( -8.646 2.943 -6.448) 11.180 ======================= Grid point 9 (7/75) ======================= q-point: ( 0.29 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 13.958 4.408 2.281) 14.814 0.951 ( 14.004 5.833 4.180) 15.736 1.215 ( 7.681 -5.341 9.157) 13.091 1.340 ( 10.071 -4.434 10.599) 15.278 1.408 ( 5.397 -4.041 2.438) 7.169 1.482 ( 3.895 -0.692 7.590) 8.559 1.578 ( 2.236 -1.552 3.879) 4.739 1.700 ( 7.266 6.694 4.907) 11.031 1.814 ( 5.878 3.317 5.325) 8.597 1.925 ( 1.393 0.472 1.480) 2.086 1.965 ( 4.017 1.601 1.571) 4.601 2.056 ( -0.810 0.708 0.120) 1.083 2.098 ( 0.411 0.538 0.456) 0.817 2.219 ( -0.895 1.186 2.470) 2.882 2.290 ( -3.249 3.950 1.793) 5.420 2.351 ( 2.220 -0.495 1.967) 3.007 2.387 ( 4.778 -2.338 3.668) 6.461 2.451 ( -0.193 0.874 2.296) 2.465 2.489 ( -0.570 -2.391 -0.224) 2.468 2.573 ( -0.355 -0.789 1.388) 1.635 2.616 ( -1.713 -0.612 2.215) 2.866 2.636 ( 0.401 -2.385 0.638) 2.501 2.684 ( 0.484 1.180 1.785) 2.193 2.740 ( 3.622 -0.012 2.524) 4.414 2.758 ( 1.095 -3.303 0.777) 3.566 2.848 ( -0.048 0.761 1.771) 1.929 2.889 ( 0.900 -1.055 -1.981) 2.418 2.952 ( -1.000 0.963 0.899) 1.654 2.983 ( -2.198 0.817 1.519) 2.794 3.062 ( -1.051 -1.167 -1.865) 2.439 3.108 ( 1.145 -1.081 1.880) 2.452 3.132 ( -1.414 -3.501 -3.413) 5.090 3.150 ( 1.644 -3.171 -1.111) 3.741 3.202 ( 0.603 1.030 -1.155) 1.661 3.255 ( -1.084 -0.342 1.073) 1.563 3.295 ( -2.294 -1.922 -1.875) 3.531 3.353 ( -2.430 -2.623 -2.995) 4.664 3.371 ( -0.858 0.693 -5.137) 5.254 3.473 ( -0.514 1.891 -3.038) 3.615 3.493 ( -1.246 -2.069 -2.590) 3.541 3.577 ( -3.381 0.064 -3.288) 4.717 3.621 ( -1.756 1.840 0.365) 2.569 3.683 ( -1.100 3.416 -5.706) 6.741 3.714 ( -3.259 1.539 -7.625) 8.434 3.760 ( -2.496 1.854 -4.768) 5.692 3.852 ( -2.255 1.203 -2.610) 3.653 3.863 ( -2.489 -0.596 -2.660) 3.691 3.898 ( -5.053 -0.324 -6.411) 8.169 3.954 ( -1.270 2.227 -3.046) 3.981 4.017 ( -4.299 -0.750 -4.936) 6.588 4.048 ( -3.567 2.421 -4.767) 6.427 4.103 ( -2.672 -0.487 -4.009) 4.842 4.127 ( -0.989 0.709 -1.582) 1.996 4.203 ( -2.390 1.064 -0.042) 2.617 4.297 ( -1.931 3.538 -3.697) 5.469 4.334 ( -1.123 0.405 0.497) 1.293 4.376 ( -1.422 -1.249 -3.148) 3.673 4.431 ( 1.406 -1.700 -1.922) 2.926 4.530 ( 1.974 -1.994 0.750) 2.904 4.569 ( -0.508 -2.033 1.249) 2.440 4.616 ( 1.555 -0.838 2.970) 3.455 4.659 ( 1.957 -3.563 2.016) 4.537 4.680 ( 0.864 0.095 0.485) 0.995 4.761 ( -0.014 -0.795 0.860) 1.171 4.823 ( 2.478 1.287 -0.417) 2.823 4.846 ( -0.572 0.680 3.157) 3.279 4.889 ( 1.880 1.082 -0.806) 2.314 4.954 ( 0.548 1.067 -0.940) 1.524 4.999 ( 3.814 -0.702 2.396) 4.559 5.048 ( -0.287 2.374 3.453) 4.200 5.163 ( 3.178 -2.758 3.527) 5.490 5.232 ( 4.407 2.590 2.374) 5.637 5.328 ( 2.050 -1.019 2.710) 3.547 5.367 ( 1.313 -1.129 3.216) 3.652 5.434 ( 1.358 0.835 4.255) 4.544 5.524 ( 3.013 -2.497 2.993) 4.927 5.532 ( 0.159 -0.452 -2.067) 2.122 5.600 ( -1.034 1.057 2.526) 2.927 5.672 ( 0.914 0.451 0.377) 1.087 5.781 ( 1.843 -2.061 3.200) 4.229 5.996 ( -0.653 -1.843 3.979) 4.434 6.132 ( -1.036 1.552 2.321) 2.978 6.388 ( -8.152 4.594 -1.898) 9.548 6.534 ( -3.970 -0.521 -4.800) 6.251 ======================= Grid point 10 (8/75) ======================= q-point: ( 0.43 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 10.801 -3.222 0.352) 11.277 1.152 ( 4.427 -1.626 2.280) 5.239 1.317 ( -0.397 -3.561 2.088) 4.147 1.429 ( -2.912 -2.912 1.320) 4.324 1.495 ( 4.100 0.798 3.570) 5.495 1.573 ( 4.948 -0.888 4.147) 6.516 1.659 ( 1.588 0.503 1.122) 2.009 1.797 ( -1.703 -1.013 -1.439) 2.449 1.918 ( -1.234 4.718 0.851) 4.950 1.965 ( 3.565 3.839 3.049) 6.061 2.048 ( 3.651 -2.352 -1.308) 4.536 2.083 ( -0.551 1.313 3.604) 3.875 2.121 ( 5.341 4.310 2.044) 7.161 2.213 ( -1.204 1.701 0.794) 2.230 2.307 ( 3.805 3.095 2.099) 5.335 2.389 ( -0.424 3.850 2.557) 4.641 2.459 ( 1.007 -2.233 2.563) 3.545 2.473 ( 1.520 -1.146 0.596) 1.994 2.519 ( 1.208 -0.176 1.873) 2.236 2.559 ( -0.396 0.759 -0.213) 0.882 2.593 ( -1.816 -1.026 2.010) 2.897 2.665 ( -1.753 -1.095 1.635) 2.635 2.683 ( 1.155 -2.447 -1.383) 3.039 2.757 ( 0.428 -0.156 -0.185) 0.491 2.818 ( 1.512 0.998 0.619) 1.915 2.879 ( -0.187 1.568 -0.817) 1.778 2.892 ( 1.138 -0.706 0.724) 1.522 2.943 ( -2.699 2.735 2.158) 4.407 2.974 ( 1.938 1.750 1.349) 2.939 3.011 ( -1.192 -1.827 -2.409) 3.250 3.085 ( -1.767 -0.297 -0.096) 1.794 3.133 ( 0.420 0.509 0.606) 0.896 3.167 ( 1.453 -2.212 -0.124) 2.649 3.200 ( -1.816 -2.864 -4.276) 5.458 3.228 ( -0.536 -2.142 1.894) 2.909 3.256 ( -0.995 -3.831 -1.928) 4.402 3.317 ( 2.631 -3.660 -1.425) 4.727 3.350 ( -0.139 -3.042 -0.863) 3.166 3.399 ( -3.035 -0.835 -5.354) 6.211 3.452 ( -1.999 -1.114 -1.759) 2.887 3.497 ( -1.462 -1.577 -2.689) 3.443 3.548 ( -4.543 -1.114 -3.271) 5.708 3.622 ( -0.342 0.795 -0.094) 0.870 3.664 ( -1.027 0.846 -0.294) 1.363 3.707 ( -0.780 2.760 -3.292) 4.366 3.749 ( -2.797 -2.939 -2.598) 4.818 3.800 ( -1.821 0.116 -3.635) 4.067 3.837 ( -0.928 2.064 0.968) 2.461 3.885 ( -1.978 -0.230 -3.945) 4.419 3.972 ( 0.058 -1.785 0.599) 1.884 4.015 ( -0.959 5.458 0.367) 5.554 4.079 ( 1.046 1.754 -1.943) 2.819 4.098 ( -0.232 2.753 -1.358) 3.079 4.188 ( -1.150 2.495 1.752) 3.258 4.258 ( -0.092 4.155 -1.723) 4.499 4.323 ( -0.650 -0.133 0.475) 0.816 4.335 ( -0.771 0.525 -1.699) 1.938 4.460 ( 2.469 -1.223 -2.099) 3.463 4.552 ( -1.289 1.662 2.721) 3.439 4.582 ( 1.623 -0.570 0.067) 1.722 4.628 ( -0.746 -1.183 0.593) 1.519 4.670 ( -0.709 -1.389 0.634) 1.683 4.723 ( 2.123 -1.797 0.923) 2.931 4.772 ( 0.248 -2.143 0.388) 2.192 4.836 ( -0.361 0.478 0.105) 0.609 4.857 ( 0.263 2.874 0.636) 2.956 4.910 ( 0.728 0.857 -0.522) 1.240 4.964 ( 1.291 1.859 -1.090) 2.512 5.039 ( -1.295 3.101 1.916) 3.869 5.078 ( 1.827 -3.570 1.299) 4.216 5.247 ( 3.407 -2.748 1.165) 4.530 5.293 ( 1.001 1.566 0.797) 2.023 5.352 ( 0.217 -2.006 0.225) 2.030 5.381 ( -0.915 0.409 1.826) 2.083 5.463 ( -0.080 -0.129 1.046) 1.057 5.517 ( 0.178 -3.476 -1.160) 3.669 5.582 ( 0.860 -0.213 -0.140) 0.897 5.621 ( 1.157 0.667 2.711) 3.022 5.683 ( 0.020 0.391 0.485) 0.624 5.813 ( 0.229 -3.545 0.726) 3.625 6.032 ( 1.961 1.316 4.719) 5.277 6.134 ( -1.027 5.241 -1.567) 5.566 6.256 ( -3.670 0.523 -0.183) 3.712 6.449 ( -2.371 -1.926 -2.316) 3.834 ======================= Grid point 14 (9/75) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 0.000 0.000 0.000) 0.000 0.649 ( 0.000 -0.000 0.000) 0.000 0.754 ( 0.000 0.000 0.000) 0.000 0.999 ( 0.000 0.000 0.000) 0.000 1.029 ( 0.000 0.000 0.000) 0.000 1.332 ( 0.000 0.000 0.000) 0.000 1.560 ( 0.000 0.000 0.000) 0.000 1.630 ( 0.000 -0.000 0.000) 0.000 1.646 ( 0.000 0.000 0.000) 0.000 1.802 ( 0.000 -0.000 0.000) 0.000 1.837 ( 0.000 0.000 0.000) 0.000 1.956 ( 0.000 0.000 0.000) 0.000 2.001 ( 0.000 0.000 0.000) 0.000 2.067 ( 0.000 0.000 0.000) 0.000 2.273 ( 0.000 0.000 0.000) 0.000 2.336 ( 0.000 0.000 0.000) 0.000 2.442 ( 0.000 0.000 0.000) 0.000 2.467 ( 0.000 0.000 0.000) 0.000 2.546 ( 0.000 -0.000 0.000) 0.000 2.552 ( 0.000 0.000 0.000) 0.000 2.566 ( 0.000 0.000 0.000) 0.000 2.639 ( 0.000 0.000 0.000) 0.000 2.644 ( 0.000 0.000 0.000) 0.000 2.675 ( 0.000 0.000 0.000) 0.000 2.762 ( 0.000 0.000 0.000) 0.000 2.876 ( 0.000 0.000 0.000) 0.000 2.923 ( 0.000 0.000 0.000) 0.000 2.951 ( 0.000 -0.000 0.000) 0.000 2.994 ( 0.000 -0.000 0.000) 0.000 3.001 ( 0.000 0.000 0.000) 0.000 3.097 ( 0.000 0.000 0.000) 0.000 3.129 ( 0.000 0.000 0.000) 0.000 3.148 ( 0.000 0.000 0.000) 0.000 3.162 ( 0.000 0.000 0.000) 0.000 3.322 ( 0.000 0.000 0.000) 0.000 3.360 ( 0.000 0.000 0.000) 0.000 3.375 ( 0.000 0.000 0.000) 0.000 3.429 ( 0.000 0.000 0.000) 0.000 3.539 ( 0.000 0.000 0.000) 0.000 3.558 ( 0.000 0.000 0.000) 0.000 3.690 ( 0.000 0.000 0.000) 0.000 3.700 ( 0.000 0.000 0.000) 0.000 3.746 ( 0.000 0.000 0.000) 0.000 3.767 ( 0.000 0.000 0.000) 0.000 3.813 ( 0.000 0.000 0.000) 0.000 3.964 ( 0.000 0.000 0.000) 0.000 3.989 ( 0.000 0.000 0.000) 0.000 4.055 ( 0.000 0.000 0.000) 0.000 4.085 ( 0.000 0.000 0.000) 0.000 4.156 ( 0.000 0.000 0.000) 0.000 4.172 ( 0.000 0.000 0.000) 0.000 4.285 ( 0.000 0.000 0.000) 0.000 4.302 ( 0.000 0.000 0.000) 0.000 4.324 ( 0.000 0.000 0.000) 0.000 4.350 ( 0.000 0.000 0.000) 0.000 4.389 ( 0.000 0.000 0.000) 0.000 4.391 ( 0.000 0.000 0.000) 0.000 4.414 ( 0.000 0.000 0.000) 0.000 4.449 ( 0.000 0.000 0.000) 0.000 4.511 ( 0.000 0.000 0.000) 0.000 4.536 ( 0.000 0.000 0.000) 0.000 4.543 ( 0.000 0.000 0.000) 0.000 4.639 ( 0.000 0.000 0.000) 0.000 4.721 ( 0.000 0.000 0.000) 0.000 4.731 ( 0.000 0.000 0.000) 0.000 4.846 ( 0.000 0.000 0.000) 0.000 4.879 ( 0.000 0.000 0.000) 0.000 4.914 ( 0.000 0.000 0.000) 0.000 4.949 ( 0.000 0.000 0.000) 0.000 5.005 ( 0.000 0.000 0.000) 0.000 5.034 ( 0.000 0.000 0.000) 0.000 5.128 ( 0.000 0.000 0.000) 0.000 5.178 ( 0.000 0.000 0.000) 0.000 5.234 ( 0.000 0.000 0.000) 0.000 5.297 ( 0.000 0.000 0.000) 0.000 5.395 ( 0.000 0.000 0.000) 0.000 5.587 ( 0.000 0.000 0.000) 0.000 5.617 ( 0.000 0.000 0.000) 0.000 5.667 ( 0.000 0.000 0.000) 0.000 5.714 ( 0.000 0.000 0.000) 0.000 5.959 ( 0.000 0.000 0.000) 0.000 6.113 ( 0.000 0.000 0.000) 0.000 6.630 ( 0.000 0.000 0.000) 0.000 6.801 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 16 (10/75) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 7.475 0.000 6.333) 9.797 0.783 ( 5.433 0.000 9.305) 10.775 0.899 ( 14.246 0.000 11.454) 18.279 0.923 ( 0.420 -0.000 9.629) 9.638 1.209 ( 10.544 0.000 -0.287) 10.548 1.389 ( 4.877 0.000 3.016) 5.734 1.549 ( -3.393 0.000 5.729) 6.659 1.695 ( 5.071 0.000 3.596) 6.217 1.742 ( 7.165 -0.000 6.744) 9.840 1.828 ( 4.609 0.000 -4.017) 6.114 1.861 ( 3.212 0.000 -0.984) 3.359 1.980 ( 1.030 0.000 5.689) 5.782 2.040 ( 3.585 0.000 0.424) 3.610 2.144 ( 6.174 0.000 4.018) 7.366 2.276 ( -4.237 0.000 -0.997) 4.353 2.304 ( 2.983 0.000 -0.188) 2.989 2.438 ( -1.785 0.000 -0.404) 1.830 2.485 ( 1.631 0.000 2.031) 2.605 2.495 ( -5.515 0.000 -2.912) 6.237 2.525 ( -2.311 0.000 -0.403) 2.346 2.551 ( -0.304 0.000 2.668) 2.685 2.648 ( -1.313 0.000 0.332) 1.354 2.677 ( 2.803 -0.000 -0.970) 2.966 2.695 ( 3.759 0.000 0.932) 3.873 2.775 ( 0.582 0.000 1.193) 1.327 2.874 ( -1.830 0.000 -1.508) 2.371 2.917 ( 0.027 -0.000 1.555) 1.555 2.920 ( -0.855 0.000 -1.188) 1.464 3.004 ( 0.895 -0.000 -0.729) 1.154 3.015 ( -0.915 0.000 0.566) 1.076 3.069 ( -1.804 0.000 2.273) 2.902 3.080 ( -2.543 0.000 1.988) 3.227 3.169 ( 1.084 0.000 -2.388) 2.622 3.187 ( 0.225 0.000 3.622) 3.629 3.301 ( -3.345 0.000 1.197) 3.553 3.323 ( 0.003 0.000 -2.557) 2.557 3.421 ( 0.648 0.000 -0.800) 1.030 3.423 ( -0.102 0.000 -1.324) 1.328 3.517 ( -1.867 -0.000 -2.976) 3.513 3.519 ( -2.602 0.000 -0.516) 2.653 3.651 ( -3.282 0.000 -1.582) 3.643 3.687 ( -0.966 0.000 -2.074) 2.288 3.769 ( 0.689 -0.000 -3.458) 3.526 3.769 ( 1.295 0.000 -1.708) 2.144 3.804 ( 0.875 0.000 -1.052) 1.369 3.934 ( -2.623 0.000 -0.710) 2.718 3.957 ( -5.763 0.000 -9.134) 10.800 3.974 ( 0.465 0.000 -3.057) 3.092 4.052 ( -1.254 0.000 -1.724) 2.132 4.125 ( -3.843 -0.000 -6.133) 7.238 4.132 ( -1.700 0.000 -2.774) 3.254 4.210 ( -8.360 0.000 -5.504) 10.009 4.257 ( -2.241 0.000 -7.747) 8.064 4.305 ( -7.044 0.000 -9.455) 11.790 4.348 ( 1.495 0.000 -2.435) 2.857 4.362 ( 3.685 0.000 -3.471) 5.062 4.384 ( -1.274 0.000 -2.254) 2.589 4.399 ( 3.077 -0.000 -0.561) 3.128 4.467 ( 0.423 -0.000 -0.558) 0.700 4.478 ( 1.953 0.000 3.572) 4.071 4.530 ( 0.514 0.000 2.063) 2.126 4.584 ( 1.712 0.000 0.015) 1.712 4.641 ( 0.495 0.000 1.178) 1.278 4.762 ( 0.092 0.000 3.568) 3.569 4.766 ( 3.503 0.000 1.921) 3.995 4.851 ( 1.492 0.000 -1.833) 2.363 4.876 ( -1.779 0.000 4.107) 4.476 4.943 ( 1.537 0.000 2.325) 2.787 4.971 ( -0.985 0.000 -0.114) 0.992 5.050 ( 3.419 -0.000 4.749) 5.851 5.053 ( 1.653 0.000 2.257) 2.798 5.163 ( 3.886 0.000 3.823) 5.451 5.236 ( 2.853 0.000 5.786) 6.451 5.268 ( 2.868 0.000 1.184) 3.102 5.377 ( 5.992 0.000 3.363) 6.872 5.416 ( -0.142 0.000 4.763) 4.765 5.581 ( -0.598 0.000 -1.434) 1.554 5.619 ( -0.367 0.000 0.945) 1.013 5.662 ( -0.040 0.000 -0.081) 0.091 5.723 ( 0.260 0.000 2.458) 2.472 5.956 ( -0.574 0.000 1.115) 1.254 6.118 ( -0.985 0.000 5.169) 5.262 6.595 ( -2.492 0.000 -3.059) 3.946 6.683 ( -10.178 0.000 -3.055) 10.626 ======================= Grid point 18 (11/75) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 2.377 0.000 5.646) 6.126 0.947 ( 9.377 0.000 3.463) 9.996 1.155 ( 9.843 0.000 10.818) 14.626 1.271 ( 14.942 0.000 11.970) 19.145 1.360 ( 4.771 0.000 4.852) 6.804 1.501 ( -5.578 0.000 5.500) 7.833 1.528 ( 7.629 0.000 1.646) 7.805 1.824 ( 4.959 0.000 3.368) 5.994 1.877 ( 2.908 0.000 2.282) 3.697 1.907 ( 5.379 0.000 -1.332) 5.541 2.004 ( 9.804 -0.000 4.456) 10.769 2.064 ( 2.667 0.000 6.357) 6.894 2.078 ( 0.249 0.000 -0.221) 0.333 2.255 ( 2.433 0.000 1.087) 2.665 2.297 ( 3.807 0.000 2.757) 4.700 2.340 ( 0.768 0.000 3.624) 3.705 2.391 ( -1.649 -0.000 -0.108) 1.653 2.412 ( 1.827 0.000 -2.046) 2.743 2.486 ( -0.854 0.000 0.985) 1.303 2.534 ( 1.557 0.000 1.835) 2.407 2.572 ( 0.187 0.000 4.815) 4.819 2.629 ( -0.649 0.000 -1.087) 1.266 2.687 ( -1.349 0.000 -1.477) 2.000 2.772 ( 3.626 -0.000 0.496) 3.660 2.789 ( -0.173 -0.000 2.543) 2.548 2.804 ( -2.622 0.000 -3.191) 4.130 2.920 ( 0.537 0.000 1.018) 1.151 2.952 ( 1.843 0.000 2.619) 3.203 2.985 ( -1.507 0.000 1.570) 2.176 3.011 ( 0.212 0.000 3.237) 3.244 3.066 ( -0.308 0.000 -1.413) 1.446 3.110 ( 3.185 0.000 1.354) 3.461 3.147 ( -1.092 0.000 -0.179) 1.106 3.207 ( -1.125 0.000 0.785) 1.372 3.249 ( -3.512 0.000 0.435) 3.539 3.263 ( -3.277 -0.000 -2.751) 4.279 3.357 ( -3.073 0.000 -6.119) 6.848 3.376 ( -3.206 -0.000 -5.094) 6.019 3.481 ( -1.124 0.000 1.791) 2.114 3.482 ( -2.757 -0.000 -3.148) 4.184 3.561 ( -3.778 0.000 -4.640) 5.983 3.637 ( -2.141 0.000 -3.269) 3.908 3.711 ( -5.430 0.000 -7.976) 9.649 3.729 ( -2.053 0.000 -1.971) 2.846 3.803 ( -0.318 0.000 -0.501) 0.593 3.852 ( -0.427 0.000 -2.575) 2.610 3.854 ( -6.015 0.000 -8.337) 10.280 3.933 ( -5.945 0.000 -5.081) 7.821 3.955 ( -5.649 -0.000 -3.973) 6.906 3.987 ( -2.803 -0.000 -5.477) 6.152 4.073 ( 1.633 0.000 -2.614) 3.083 4.096 ( -1.243 0.000 -5.257) 5.402 4.182 ( -1.692 0.000 -5.133) 5.404 4.208 ( -0.364 0.000 0.829) 0.905 4.330 ( -1.921 0.000 -0.274) 1.940 4.340 ( 0.309 0.000 -4.057) 4.069 4.376 ( 0.510 0.000 -4.413) 4.442 4.410 ( 1.492 0.000 -4.101) 4.364 4.514 ( 3.672 -0.000 -0.736) 3.745 4.515 ( 1.501 0.000 2.004) 2.503 4.603 ( 2.637 0.000 5.726) 6.305 4.627 ( 2.982 0.000 -0.614) 3.044 4.674 ( 0.660 0.000 1.205) 1.374 4.756 ( -1.571 0.000 1.550) 2.207 4.824 ( 1.585 0.000 0.545) 1.676 4.883 ( 0.036 -0.000 3.427) 3.427 4.888 ( 2.753 0.000 -1.063) 2.952 4.963 ( 0.065 0.000 0.779) 0.782 4.986 ( 1.563 0.000 2.996) 3.379 5.087 ( -0.776 0.000 3.118) 3.214 5.118 ( 3.137 0.000 3.317) 4.565 5.275 ( 2.845 0.000 2.583) 3.843 5.331 ( 2.136 -0.000 1.727) 2.747 5.334 ( 4.113 0.000 5.639) 6.980 5.430 ( -1.436 0.000 4.759) 4.971 5.509 ( 5.853 0.000 1.662) 6.084 5.539 ( -2.166 0.000 -2.569) 3.360 5.613 ( -1.458 0.000 3.203) 3.520 5.673 ( 0.805 0.000 0.037) 0.806 5.753 ( 1.147 0.000 1.808) 2.141 5.964 ( 0.523 0.000 3.240) 3.282 6.153 ( 0.937 0.000 6.184) 6.254 6.456 ( -11.141 0.000 -3.944) 11.818 6.513 ( -3.900 0.000 -3.855) 5.484 ======================= Grid point 20 (12/75) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 3.815 0.000 2.488) 4.554 1.128 ( 7.281 0.000 1.514) 7.437 1.258 ( -1.423 0.000 1.998) 2.453 1.394 ( -5.000 0.000 1.225) 5.148 1.506 ( 5.564 0.000 5.013) 7.489 1.590 ( 10.313 0.000 8.466) 13.343 1.649 ( 4.522 -0.000 -0.273) 4.530 1.811 ( -5.319 0.000 -5.851) 7.908 1.912 ( -0.622 0.000 0.901) 1.094 2.003 ( 2.693 0.000 1.542) 3.103 2.018 ( -1.074 0.000 -0.989) 1.460 2.131 ( 2.204 0.000 5.578) 5.998 2.219 ( 2.708 0.000 2.505) 3.688 2.275 ( -1.712 -0.000 -2.496) 3.027 2.300 ( 5.208 0.000 1.695) 5.477 2.400 ( -0.805 0.000 2.804) 2.917 2.431 ( 1.523 0.000 3.500) 3.817 2.479 ( 3.007 0.000 1.248) 3.256 2.525 ( 2.829 0.000 1.576) 3.238 2.545 ( -0.357 0.000 -1.462) 1.505 2.607 ( -1.037 -0.000 1.448) 1.781 2.609 ( -1.181 0.000 1.081) 1.601 2.655 ( 0.228 0.000 -0.751) 0.785 2.797 ( 4.941 -0.000 -1.128) 5.068 2.819 ( 1.108 0.000 1.815) 2.127 2.850 ( 4.819 0.000 0.628) 4.860 2.908 ( -1.022 0.000 -0.553) 1.162 2.984 ( -0.894 0.000 1.640) 1.868 2.994 ( -2.245 -0.000 -2.515) 3.371 3.025 ( -3.191 0.000 3.895) 5.035 3.035 ( 2.322 -0.000 1.657) 2.853 3.107 ( -3.896 0.000 -2.200) 4.475 3.160 ( 0.104 0.000 2.603) 2.605 3.183 ( 1.291 0.000 -0.956) 1.606 3.198 ( -1.848 -0.000 0.759) 1.998 3.224 ( 1.437 0.000 -0.809) 1.649 3.262 ( -4.251 0.000 -5.710) 7.118 3.354 ( -3.093 0.000 -5.215) 6.064 3.357 ( 3.203 -0.000 1.845) 3.696 3.456 ( -4.056 0.000 -4.078) 5.751 3.464 ( -1.493 -0.000 0.812) 1.699 3.541 ( -7.174 0.000 -6.498) 9.679 3.618 ( -1.240 0.000 -1.675) 2.084 3.679 ( 0.210 0.000 -3.660) 3.666 3.710 ( -2.219 0.000 -0.971) 2.422 3.762 ( -2.060 0.000 -0.926) 2.258 3.812 ( -3.567 0.000 -2.597) 4.412 3.827 ( -0.965 -0.000 -1.563) 1.837 3.904 ( 0.240 0.000 0.670) 0.712 3.920 ( -1.775 -0.000 -2.137) 2.778 4.092 ( 0.414 -0.000 -0.131) 0.435 4.095 ( 1.425 0.000 -1.351) 1.964 4.140 ( -0.070 0.000 -2.203) 2.205 4.219 ( -0.022 0.000 1.250) 1.250 4.310 ( -0.397 0.000 -2.083) 2.120 4.317 ( -0.325 0.000 0.930) 0.985 4.355 ( -0.001 0.000 -2.305) 2.305 4.444 ( 3.055 0.000 -2.656) 4.048 4.552 ( 0.946 0.000 1.567) 1.831 4.571 ( 2.838 0.000 -0.648) 2.911 4.629 ( -2.194 0.000 2.462) 3.298 4.650 ( -0.554 0.000 -0.091) 0.561 4.700 ( 1.471 0.000 1.034) 1.798 4.748 ( 0.151 0.000 0.401) 0.428 4.840 ( 0.143 0.000 0.044) 0.149 4.900 ( 0.223 0.000 0.697) 0.732 4.920 ( 1.064 0.000 -0.450) 1.155 4.983 ( 1.503 0.000 -0.208) 1.518 5.031 ( 1.138 0.000 1.529) 1.906 5.079 ( -1.507 0.000 1.852) 2.388 5.197 ( 3.340 0.000 1.080) 3.510 5.308 ( 0.377 0.000 0.714) 0.807 5.330 ( -2.695 -0.000 1.035) 2.887 5.413 ( 1.459 0.000 1.769) 2.293 5.448 ( 0.041 0.000 4.379) 4.380 5.493 ( -0.334 0.000 -4.038) 4.051 5.578 ( 1.276 0.000 -0.873) 1.546 5.623 ( 0.192 0.000 3.050) 3.056 5.681 ( 0.019 0.000 0.294) 0.295 5.774 ( 0.428 0.000 0.115) 0.443 6.034 ( 4.004 0.000 4.392) 5.944 6.221 ( 2.168 0.000 3.653) 4.248 6.251 ( -7.726 0.000 -3.887) 8.649 6.420 ( -3.099 0.000 -2.745) 4.139 ======================= Grid point 35 (13/75) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.336 ( -5.824 0.000 17.605) 18.543 0.394 ( -10.925 0.000 20.484) 23.216 0.630 ( 14.206 0.000 31.600) 34.646 1.189 ( 4.741 0.000 8.174) 9.450 1.336 ( 3.835 0.000 7.064) 8.038 1.418 ( 3.453 0.000 7.820) 8.548 1.560 ( 1.683 0.000 1.263) 2.104 1.636 ( 2.690 0.000 2.778) 3.867 1.650 ( 2.628 0.000 4.173) 4.931 1.746 ( 3.229 0.000 0.144) 3.232 1.965 ( 3.974 0.000 -4.410) 5.937 1.999 ( -2.495 0.000 5.295) 5.854 2.098 ( 0.049 0.000 -4.764) 4.764 2.229 ( 3.022 0.000 3.006) 4.262 2.290 ( 0.942 0.000 2.017) 2.226 2.350 ( 3.449 0.000 1.047) 3.605 2.401 ( 0.638 0.000 -3.216) 3.278 2.468 ( -1.984 0.000 -0.366) 2.017 2.507 ( 2.562 0.000 -1.305) 2.875 2.556 ( 5.266 0.000 1.607) 5.506 2.572 ( -0.548 0.000 1.838) 1.918 2.658 ( 0.116 0.000 1.135) 1.141 2.666 ( 2.450 0.000 0.594) 2.521 2.710 ( -0.407 0.000 -0.220) 0.463 2.869 ( 2.303 0.000 -3.763) 4.411 2.907 ( -2.719 0.000 2.242) 3.524 2.918 ( -2.986 0.000 0.591) 3.044 2.993 ( -0.519 0.000 -2.909) 2.955 3.028 ( 1.363 0.000 2.365) 2.729 3.034 ( -0.234 0.000 -1.084) 1.109 3.112 ( -3.395 0.000 -0.999) 3.538 3.138 ( -0.692 0.000 1.285) 1.459 3.153 ( -3.065 0.000 0.386) 3.089 3.194 ( -1.565 0.000 -1.044) 1.881 3.302 ( -1.543 0.000 3.058) 3.425 3.304 ( 1.328 0.000 -2.062) 2.453 3.367 ( -1.108 0.000 2.581) 2.809 3.391 ( 0.228 0.000 -3.903) 3.909 3.453 ( 0.813 0.000 -2.046) 2.202 3.480 ( -1.848 0.000 1.513) 2.389 3.576 ( -5.139 0.000 0.704) 5.187 3.643 ( 1.187 0.000 -7.150) 7.248 3.738 ( -1.883 0.000 -0.183) 1.892 3.752 ( -6.537 0.000 0.817) 6.588 3.835 ( -6.110 0.000 -2.684) 6.673 3.881 ( -4.413 0.000 -4.000) 5.956 3.938 ( -4.309 0.000 -5.318) 6.845 3.979 ( -1.614 0.000 -4.109) 4.415 4.018 ( 0.133 0.000 -1.607) 1.612 4.073 ( -1.678 0.000 -3.724) 4.084 4.162 ( 0.936 0.000 1.792) 2.022 4.183 ( -3.474 0.000 -5.789) 6.752 4.272 ( -1.604 0.000 -4.046) 4.352 4.313 ( -5.202 0.000 -7.151) 8.842 4.377 ( -0.876 0.000 2.853) 2.984 4.384 ( 5.213 0.000 -3.588) 6.329 4.446 ( -1.643 0.000 -5.711) 5.943 4.453 ( -1.888 0.000 -5.909) 6.204 4.479 ( 2.950 0.000 -3.407) 4.507 4.505 ( 2.289 0.000 1.329) 2.646 4.627 ( 2.159 0.000 -2.260) 3.126 4.653 ( 0.193 0.000 3.172) 3.178 4.661 ( 1.157 0.000 -1.012) 1.537 4.709 ( 0.873 0.000 2.391) 2.546 4.746 ( 0.493 0.000 1.825) 1.890 4.799 ( 0.239 0.000 2.548) 2.559 4.849 ( 3.595 0.000 4.624) 5.857 4.914 ( -1.976 0.000 4.575) 4.983 4.947 ( 0.019 0.000 1.271) 1.271 5.002 ( 0.551 0.000 1.801) 1.883 5.059 ( 4.301 0.000 3.229) 5.378 5.128 ( 1.154 0.000 4.675) 4.815 5.252 ( 2.300 0.000 3.914) 4.540 5.303 ( 4.250 0.000 3.022) 5.214 5.335 ( 1.639 0.000 -0.501) 1.714 5.522 ( 0.793 0.000 -1.341) 1.558 5.586 ( 1.456 0.000 0.360) 1.500 5.636 ( 1.495 0.000 -0.383) 1.544 5.646 ( -0.032 0.000 0.939) 0.939 5.789 ( 1.549 0.000 7.890) 8.041 5.973 ( 5.952 0.000 2.724) 6.546 6.206 ( -0.570 0.000 -4.388) 4.425 6.433 ( 0.296 0.000 -2.940) 2.955 6.581 ( -8.146 0.000 -2.382) 8.487 ======================= Grid point 36 (14/75) ======================= q-point: ( 0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( 11.336 0.000 11.383) 16.065 0.514 ( 11.540 0.000 11.262) 16.125 1.165 ( 20.376 0.000 22.619) 30.444 1.340 ( 4.612 0.000 9.414) 10.483 1.474 ( 5.613 0.000 5.105) 7.587 1.525 ( 3.116 0.000 7.024) 7.684 1.582 ( -0.170 0.000 4.664) 4.667 1.743 ( 4.496 0.000 3.775) 5.871 1.745 ( 4.953 0.000 4.664) 6.804 1.842 ( 4.978 0.000 5.924) 7.738 1.989 ( -1.381 0.000 3.864) 4.103 1.991 ( 1.454 0.000 -3.468) 3.761 2.065 ( -0.628 0.000 -5.559) 5.594 2.307 ( -0.463 0.000 0.269) 0.536 2.332 ( -2.487 0.000 3.555) 4.338 2.364 ( 0.114 0.000 0.881) 0.888 2.370 ( 1.595 0.000 2.143) 2.672 2.463 ( 4.138 0.000 0.598) 4.181 2.523 ( -0.650 0.000 -3.221) 3.286 2.599 ( 2.494 0.000 3.918) 4.644 2.616 ( -4.237 0.000 4.180) 5.952 2.695 ( 1.856 0.000 0.634) 1.962 2.732 ( 6.268 0.000 2.501) 6.748 2.735 ( 0.003 0.000 4.140) 4.140 2.794 ( -1.020 0.000 0.149) 1.030 2.874 ( -1.252 0.000 -1.606) 2.036 2.903 ( -1.405 0.000 -0.719) 1.578 2.984 ( -0.716 0.000 0.378) 0.809 3.025 ( 0.533 0.000 0.504) 0.734 3.043 ( -0.990 0.000 -0.849) 1.304 3.089 ( -1.345 0.000 2.990) 3.279 3.119 ( 0.021 0.000 -4.238) 4.238 3.124 ( -0.407 0.000 0.001) 0.407 3.170 ( 0.997 0.000 -2.610) 2.794 3.271 ( -2.327 0.000 -3.990) 4.619 3.325 ( 0.048 0.000 0.776) 0.778 3.349 ( -1.542 0.000 -1.843) 2.403 3.353 ( 0.758 0.000 -2.122) 2.254 3.423 ( -3.343 0.000 1.282) 3.580 3.484 ( 0.650 0.000 -3.722) 3.779 3.496 ( -0.480 0.000 -4.925) 4.948 3.605 ( -0.986 0.000 -7.612) 7.675 3.607 ( -5.749 0.000 -2.654) 6.332 3.682 ( -2.987 0.000 -0.944) 3.133 3.769 ( -3.386 0.000 -4.363) 5.523 3.783 ( -0.204 0.000 -1.384) 1.399 3.886 ( -3.611 0.000 -4.183) 5.526 3.892 ( -0.388 0.000 -1.032) 1.103 3.981 ( -5.058 0.000 -8.831) 10.177 3.996 ( -2.664 0.000 -2.256) 3.491 4.087 ( -8.472 0.000 -3.963) 9.353 4.114 ( -1.232 0.000 -3.254) 3.480 4.206 ( -1.539 0.000 -2.170) 2.660 4.209 ( -1.376 0.000 0.391) 1.430 4.291 ( -4.046 0.000 -4.352) 5.943 4.354 ( -2.213 0.000 2.318) 3.205 4.439 ( 2.037 0.000 -2.158) 2.968 4.470 ( 0.706 0.000 -3.071) 3.151 4.523 ( 2.017 0.000 -1.815) 2.714 4.558 ( 1.743 0.000 0.702) 1.879 4.659 ( -1.531 0.000 1.324) 2.024 4.666 ( 3.561 0.000 -3.102) 4.722 4.684 ( 0.990 0.000 1.364) 1.685 4.737 ( 1.070 0.000 -2.444) 2.668 4.795 ( -1.572 0.000 2.465) 2.923 4.807 ( 5.595 0.000 2.365) 6.074 4.885 ( -2.273 0.000 0.964) 2.469 4.891 ( 0.776 0.000 2.677) 2.787 4.997 ( 1.516 0.000 3.086) 3.438 5.051 ( 1.266 0.000 3.246) 3.484 5.162 ( 4.541 0.000 2.255) 5.070 5.177 ( 1.729 0.000 4.076) 4.428 5.304 ( 1.659 0.000 -0.795) 1.840 5.390 ( 3.081 0.000 3.165) 4.417 5.413 ( 3.184 0.000 4.690) 5.669 5.505 ( -0.171 0.000 -3.011) 3.016 5.612 ( 0.759 0.000 1.576) 1.750 5.631 ( -0.127 0.000 1.368) 1.374 5.656 ( 0.164 0.000 1.316) 1.326 5.868 ( 0.635 0.000 9.206) 9.228 6.026 ( -0.315 0.000 2.296) 2.317 6.153 ( -1.799 0.000 -5.308) 5.605 6.387 ( -3.121 0.000 -3.059) 4.371 6.499 ( -1.363 0.000 -2.664) 2.993 ======================= Grid point 37 (15/75) ======================= q-point: ( 0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 14.690 0.000 6.039) 15.883 0.835 ( 16.535 0.000 3.786) 16.963 1.434 ( 0.086 0.000 3.836) 3.837 1.487 ( 4.425 0.000 1.117) 4.564 1.532 ( -0.797 0.000 4.711) 4.778 1.622 ( 2.567 0.000 5.564) 6.127 1.749 ( 8.696 0.000 10.413) 13.566 1.785 ( -3.085 0.000 0.677) 3.159 1.801 ( 1.776 0.000 1.990) 2.667 1.979 ( -0.502 0.000 -4.849) 4.875 1.984 ( 0.988 0.000 7.714) 7.777 2.038 ( 1.157 0.000 -1.144) 1.627 2.051 ( 7.388 0.000 5.339) 9.116 2.230 ( -1.887 0.000 -0.853) 2.071 2.265 ( -1.781 0.000 -0.291) 1.805 2.391 ( -1.560 0.000 0.162) 1.568 2.459 ( -0.826 0.000 -3.905) 3.991 2.488 ( 3.288 0.000 3.059) 4.491 2.527 ( -2.558 0.000 -0.819) 2.686 2.570 ( 4.261 0.000 2.032) 4.720 2.619 ( -5.598 0.000 0.977) 5.683 2.739 ( 3.060 0.000 4.941) 5.811 2.740 ( -1.902 0.000 -0.053) 1.903 2.792 ( 0.372 0.000 1.986) 2.021 2.814 ( -3.962 0.000 -2.626) 4.753 2.896 ( 2.794 0.000 2.072) 3.479 2.930 ( 4.642 0.000 2.546) 5.294 2.952 ( -6.793 0.000 -3.244) 7.527 2.956 ( -1.488 0.000 0.538) 1.583 3.018 ( 0.399 0.000 -0.045) 0.401 3.076 ( -0.163 0.000 -2.929) 2.933 3.094 ( -0.540 0.000 -0.088) 0.547 3.154 ( 1.505 0.000 -0.776) 1.693 3.197 ( -4.160 0.000 -2.819) 5.025 3.220 ( 4.906 0.000 1.177) 5.045 3.298 ( 1.999 0.000 -2.953) 3.566 3.316 ( 0.859 0.000 -0.869) 1.222 3.369 ( -0.915 0.000 -7.223) 7.281 3.370 ( -2.500 0.000 -0.704) 2.597 3.419 ( 0.713 0.000 -0.976) 1.208 3.509 ( 1.376 0.000 3.315) 3.589 3.553 ( 0.063 0.000 -2.941) 2.941 3.586 ( 3.846 0.000 -0.867) 3.942 3.644 ( -1.911 0.000 -0.330) 1.939 3.689 ( -2.937 0.000 -3.301) 4.418 3.752 ( -2.183 0.000 -3.301) 3.957 3.836 ( -0.788 0.000 -3.502) 3.590 3.841 ( -3.738 0.000 -0.505) 3.772 3.865 ( 0.196 0.000 -3.063) 3.069 3.935 ( -2.711 0.000 1.133) 2.939 3.988 ( -1.369 0.000 0.282) 1.398 4.070 ( -1.252 0.000 -1.970) 2.334 4.163 ( -2.742 0.000 -0.743) 2.841 4.185 ( -2.016 0.000 1.871) 2.750 4.229 ( -1.901 0.000 1.125) 2.209 4.342 ( -0.509 0.000 1.878) 1.946 4.421 ( -4.469 0.000 0.451) 4.492 4.453 ( 0.326 0.000 -0.548) 0.638 4.557 ( 2.618 0.000 -1.173) 2.869 4.587 ( 1.000 0.000 -0.313) 1.048 4.637 ( -0.813 0.000 -0.494) 0.951 4.693 ( 0.087 0.000 0.474) 0.482 4.711 ( 2.945 0.000 -3.114) 4.286 4.740 ( 1.347 0.000 -3.323) 3.586 4.797 ( 0.620 0.000 0.718) 0.948 4.857 ( -0.867 0.000 -0.990) 1.316 4.857 ( -1.042 0.000 1.492) 1.820 4.940 ( 0.661 0.000 2.269) 2.363 5.062 ( -0.768 0.000 1.722) 1.885 5.062 ( 3.855 0.000 2.294) 4.486 5.237 ( 2.881 0.000 -0.678) 2.960 5.244 ( 2.709 0.000 2.648) 3.788 5.316 ( 0.868 0.000 -1.842) 2.036 5.451 ( 1.625 0.000 0.788) 1.806 5.454 ( -0.173 0.000 1.894) 1.902 5.490 ( 0.940 0.000 -3.191) 3.327 5.629 ( -0.874 0.000 3.214) 3.331 5.664 ( 1.543 0.000 1.336) 2.041 5.667 ( -0.017 0.000 2.086) 2.086 5.913 ( -1.191 0.000 5.943) 6.061 6.001 ( -3.223 0.000 -3.892) 5.053 6.109 ( 0.391 0.000 0.756) 0.851 6.295 ( -4.368 0.000 -2.430) 4.998 6.449 ( -1.446 0.000 -4.906) 5.114 ======================= Grid point 38 (16/75) ======================= q-point: ( 0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 10.168 0.000 2.095) 10.381 1.115 ( 11.330 0.000 -0.284) 11.333 1.368 ( -7.166 0.000 -2.175) 7.489 1.448 ( -5.720 0.000 -1.632) 5.948 1.567 ( 0.035 0.000 3.213) 3.213 1.639 ( -4.129 0.000 -0.321) 4.141 1.712 ( -3.002 0.000 -0.215) 3.010 1.719 ( -4.869 0.000 0.821) 4.938 1.913 ( 1.239 0.000 1.162) 1.699 1.949 ( 0.179 0.000 -1.399) 1.410 1.996 ( -3.142 0.000 -5.340) 6.196 2.049 ( 2.233 0.000 -3.939) 4.528 2.152 ( 0.445 0.000 3.112) 3.144 2.253 ( -1.856 0.000 0.550) 1.936 2.260 ( 0.524 0.000 -2.601) 2.654 2.335 ( -3.204 0.000 -0.936) 3.338 2.456 ( 1.519 0.000 -2.614) 3.023 2.478 ( -1.926 0.000 -2.529) 3.178 2.496 ( -0.134 0.000 -4.910) 4.912 2.538 ( -2.595 0.000 -0.374) 2.622 2.601 ( -3.297 0.000 -3.993) 5.178 2.676 ( -5.800 0.000 0.126) 5.802 2.699 ( 3.935 0.000 -0.882) 4.032 2.799 ( -1.508 0.000 0.942) 1.778 2.808 ( -3.346 0.000 1.792) 3.796 2.848 ( -0.110 0.000 2.081) 2.084 2.904 ( -2.798 0.000 -0.844) 2.922 2.928 ( -2.177 0.000 -2.415) 3.252 2.973 ( 1.322 0.000 1.025) 1.673 3.021 ( -1.666 0.000 -4.337) 4.646 3.046 ( 3.021 0.000 3.968) 4.987 3.114 ( 1.343 0.000 -0.157) 1.352 3.206 ( 3.557 0.000 0.353) 3.575 3.218 ( 4.164 0.000 3.428) 5.394 3.253 ( -0.190 0.000 -0.975) 0.993 3.332 ( 3.732 0.000 0.214) 3.738 3.334 ( 0.199 0.000 1.387) 1.401 3.374 ( 3.438 0.000 3.282) 4.753 3.399 ( 3.656 0.000 3.002) 4.730 3.482 ( 2.142 0.000 2.007) 2.935 3.555 ( 2.036 0.000 3.465) 4.019 3.572 ( 0.485 0.000 -1.817) 1.880 3.603 ( 0.863 0.000 3.586) 3.689 3.651 ( 0.542 0.000 -1.308) 1.416 3.679 ( 3.193 0.000 4.480) 5.502 3.723 ( 1.609 0.000 1.066) 1.930 3.808 ( -0.490 0.000 2.090) 2.146 3.839 ( 1.809 0.000 0.385) 1.850 3.881 ( -2.593 0.000 4.391) 5.099 3.915 ( 4.343 0.000 2.616) 5.070 4.020 ( 3.601 0.000 0.398) 3.623 4.044 ( -1.022 0.000 0.382) 1.092 4.120 ( -2.870 0.000 1.658) 3.314 4.154 ( -2.001 0.000 1.764) 2.668 4.230 ( 0.850 0.000 2.117) 2.281 4.339 ( -4.485 0.000 1.667) 4.785 4.346 ( -0.456 0.000 1.127) 1.216 4.459 ( 1.061 0.000 -0.788) 1.321 4.566 ( -3.241 0.000 0.129) 3.243 4.573 ( -1.070 0.000 -0.113) 1.076 4.641 ( 2.339 0.000 -1.377) 2.715 4.695 ( -0.205 0.000 -0.584) 0.619 4.731 ( 0.907 0.000 -3.046) 3.178 4.745 ( 1.343 0.000 -3.616) 3.857 4.820 ( -2.818 0.000 -0.074) 2.819 4.823 ( 2.634 0.000 -3.058) 4.036 4.843 ( 1.308 0.000 -2.383) 2.718 4.947 ( -0.724 0.000 1.758) 1.902 5.032 ( -2.307 0.000 0.688) 2.407 5.128 ( 0.529 0.000 -0.365) 0.643 5.264 ( 0.908 0.000 -1.677) 1.907 5.285 ( 0.112 0.000 -0.551) 0.562 5.319 ( 0.611 0.000 -0.657) 0.897 5.452 ( -0.706 0.000 0.329) 0.779 5.457 ( -0.227 0.000 -1.903) 1.917 5.510 ( 3.767 0.000 -4.355) 5.758 5.615 ( -2.487 0.000 1.952) 3.162 5.669 ( -1.814 0.000 -0.331) 1.844 5.673 ( -1.623 0.000 3.619) 3.966 5.895 ( -2.899 0.000 0.166) 2.904 5.905 ( -1.982 0.000 -5.841) 6.168 6.126 ( -0.938 0.000 0.322) 0.992 6.228 ( -1.052 0.000 -0.600) 1.211 6.418 ( 2.212 0.000 -3.495) 4.136 ======================= Grid point 39 (17/75) ======================= q-point: (-0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -12.581 0.000 2.105) 12.755 1.109 ( -12.530 0.000 -5.176) 13.557 1.254 ( -1.631 0.000 -8.605) 8.758 1.346 ( -1.534 0.000 -3.687) 3.994 1.517 ( -6.744 0.000 -1.728) 6.962 1.557 ( -1.916 0.000 -1.053) 2.186 1.675 ( 0.652 0.000 -3.985) 4.038 1.682 ( -1.652 0.000 0.819) 1.844 1.770 ( -15.315 0.000 -7.293) 16.963 1.887 ( -5.096 0.000 -0.029) 5.096 1.963 ( 2.490 0.000 -2.795) 3.743 2.065 ( -5.300 0.000 -2.174) 5.729 2.086 ( 4.763 0.000 -4.752) 6.728 2.203 ( -0.851 0.000 0.255) 0.889 2.215 ( -7.107 0.000 -2.473) 7.525 2.272 ( 1.520 0.000 0.328) 1.555 2.409 ( -2.617 0.000 -5.064) 5.700 2.450 ( -0.145 0.000 -3.296) 3.300 2.472 ( 0.465 0.000 -2.419) 2.463 2.524 ( -1.634 0.000 -5.298) 5.544 2.544 ( 1.454 0.000 -1.198) 1.883 2.632 ( -0.893 0.000 0.892) 1.262 2.680 ( -2.946 0.000 -0.712) 3.031 2.766 ( -1.661 0.000 -4.320) 4.628 2.805 ( -4.612 0.000 -2.921) 5.459 2.848 ( 5.222 0.000 0.120) 5.224 2.852 ( 2.040 0.000 1.103) 2.319 2.934 ( -1.816 0.000 0.243) 1.832 2.956 ( 3.214 0.000 3.169) 4.514 3.085 ( 4.421 0.000 0.914) 4.514 3.127 ( -0.312 0.000 0.284) 0.422 3.176 ( 4.359 0.000 5.613) 7.107 3.189 ( -2.200 0.000 -0.786) 2.336 3.267 ( -0.391 0.000 -0.467) 0.609 3.275 ( 0.919 0.000 2.226) 2.408 3.369 ( -1.299 0.000 -0.187) 1.313 3.382 ( 2.158 0.000 2.547) 3.339 3.444 ( 1.533 0.000 3.740) 4.042 3.469 ( -0.528 0.000 1.813) 1.889 3.511 ( 4.410 0.000 2.498) 5.069 3.579 ( 0.775 0.000 0.786) 1.104 3.594 ( -3.940 0.000 -0.492) 3.971 3.682 ( 5.173 0.000 8.949) 10.337 3.717 ( 4.548 0.000 5.328) 7.005 3.752 ( 3.134 0.000 1.137) 3.334 3.797 ( 4.109 0.000 7.206) 8.295 3.868 ( 3.712 0.000 4.563) 5.882 3.890 ( 1.426 0.000 4.180) 4.416 3.945 ( 3.436 0.000 7.228) 8.004 4.019 ( 1.876 0.000 6.395) 6.665 4.073 ( -2.104 0.000 3.490) 4.075 4.090 ( 6.241 0.000 5.554) 8.354 4.108 ( 3.767 0.000 2.070) 4.298 4.158 ( 1.919 0.000 1.759) 2.603 4.243 ( -0.971 0.000 2.239) 2.440 4.335 ( 2.910 0.000 2.361) 3.747 4.337 ( -1.127 0.000 0.802) 1.383 4.463 ( -1.629 0.000 -2.016) 2.592 4.511 ( 0.072 0.000 0.283) 0.292 4.545 ( -0.824 0.000 -1.409) 1.632 4.661 ( -2.322 0.000 -4.119) 4.728 4.673 ( 0.506 0.000 0.572) 0.763 4.711 ( -0.558 0.000 -1.522) 1.621 4.723 ( -0.686 0.000 -4.059) 4.117 4.788 ( -0.169 0.000 -1.227) 1.239 4.827 ( 1.491 0.000 -5.417) 5.619 4.892 ( 3.483 0.000 -0.695) 3.552 4.938 ( -0.561 0.000 -0.776) 0.958 4.993 ( -2.269 0.000 0.347) 2.296 5.087 ( -3.571 0.000 -1.627) 3.924 5.234 ( -2.554 0.000 -3.621) 4.431 5.235 ( -4.112 0.000 -1.670) 4.438 5.311 ( -0.764 0.000 -3.889) 3.963 5.422 ( -2.884 0.000 -1.057) 3.072 5.430 ( -1.416 0.000 -1.953) 2.413 5.523 ( -1.136 0.000 -5.475) 5.591 5.573 ( -2.348 0.000 0.777) 2.473 5.624 ( -0.088 0.000 -1.173) 1.176 5.655 ( -2.175 0.000 2.746) 3.503 5.824 ( -3.446 0.000 -2.594) 4.313 5.892 ( 3.247 0.000 -4.238) 5.339 6.078 ( -1.479 0.000 -3.635) 3.924 6.255 ( 3.637 0.000 0.140) 3.639 6.487 ( 5.651 0.000 -0.038) 5.651 ======================= Grid point 40 (18/75) ======================= q-point: (-0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -20.502 0.000 -8.798) 22.310 0.802 ( -18.423 0.000 5.555) 19.243 1.141 ( -3.023 0.000 -7.784) 8.350 1.160 ( -19.380 0.000 -2.543) 19.546 1.390 ( -4.948 0.000 -2.711) 5.642 1.432 ( -12.245 0.000 -1.984) 12.405 1.521 ( -2.363 0.000 3.592) 4.300 1.639 ( -2.300 0.000 -4.171) 4.763 1.656 ( -0.745 0.000 -4.001) 4.070 1.796 ( -2.638 0.000 -2.537) 3.659 1.987 ( 0.740 0.000 -7.430) 7.466 2.035 ( -1.436 0.000 5.438) 5.624 2.111 ( 1.553 0.000 -0.791) 1.743 2.159 ( 4.041 0.000 -1.597) 4.345 2.218 ( -0.256 0.000 -1.695) 1.714 2.327 ( 2.648 0.000 0.354) 2.672 2.328 ( 0.712 0.000 -3.131) 3.211 2.358 ( -4.685 0.000 -1.707) 4.986 2.465 ( 0.370 0.000 -3.646) 3.665 2.525 ( 3.433 0.000 -5.608) 6.575 2.559 ( 1.902 0.000 -4.152) 4.567 2.628 ( -0.086 0.000 1.980) 1.982 2.657 ( 0.164 0.000 0.251) 0.300 2.726 ( -2.760 0.000 0.047) 2.761 2.754 ( 1.514 0.000 -0.742) 1.686 2.910 ( 2.327 0.000 2.703) 3.567 2.914 ( 2.065 0.000 -0.519) 2.129 2.959 ( 3.047 0.000 1.689) 3.483 2.998 ( -0.777 0.000 1.816) 1.975 3.114 ( -0.180 0.000 -0.833) 0.853 3.118 ( -0.900 0.000 -1.882) 2.086 3.149 ( -1.627 0.000 2.042) 2.611 3.219 ( -4.731 0.000 1.302) 4.907 3.248 ( 2.348 0.000 -0.209) 2.357 3.300 ( 0.392 0.000 1.357) 1.413 3.343 ( -0.670 0.000 0.009) 0.670 3.393 ( -2.877 0.000 3.084) 4.217 3.453 ( -1.001 0.000 -0.808) 1.287 3.487 ( -0.504 0.000 4.186) 4.217 3.537 ( -1.025 0.000 -0.302) 1.069 3.560 ( -2.515 0.000 1.896) 3.150 3.626 ( 4.161 0.000 0.950) 4.269 3.749 ( 1.314 0.000 2.935) 3.216 3.765 ( -0.112 0.000 1.389) 1.394 3.891 ( 0.757 0.000 6.562) 6.606 3.916 ( 0.738 0.000 2.942) 3.033 3.940 ( 3.867 0.000 3.514) 5.225 3.962 ( 3.406 0.000 3.436) 4.837 4.025 ( 4.501 0.000 4.616) 6.447 4.068 ( 0.579 0.000 6.407) 6.433 4.118 ( 3.893 0.000 4.949) 6.297 4.227 ( 3.340 0.000 2.892) 4.418 4.229 ( 5.425 0.000 8.197) 9.830 4.269 ( 2.538 0.000 0.745) 2.645 4.280 ( 4.889 0.000 5.893) 7.657 4.323 ( 0.533 0.000 3.595) 3.634 4.417 ( 3.601 0.000 2.228) 4.234 4.420 ( -0.179 0.000 -3.239) 3.244 4.527 ( 0.190 0.000 -3.002) 3.008 4.551 ( 2.055 0.000 1.324) 2.445 4.579 ( -1.784 0.000 -5.633) 5.909 4.643 ( -2.093 0.000 -2.661) 3.386 4.701 ( -0.434 0.000 0.215) 0.485 4.712 ( 0.785 0.000 -1.750) 1.918 4.774 ( -1.002 0.000 -0.583) 1.160 4.811 ( 0.525 0.000 -6.353) 6.374 4.911 ( -1.771 0.000 -4.627) 4.954 4.916 ( -1.726 0.000 1.284) 2.151 4.975 ( 1.021 0.000 0.991) 1.422 5.006 ( -4.019 0.000 2.353) 4.657 5.130 ( -4.748 0.000 -6.418) 7.983 5.145 ( -4.214 0.000 -1.254) 4.397 5.238 ( -2.699 0.000 -5.436) 6.069 5.329 ( -4.354 0.000 -4.563) 6.307 5.384 ( -2.013 0.000 -1.967) 2.815 5.455 ( -1.683 0.000 -2.820) 3.284 5.553 ( -0.687 0.000 1.206) 1.388 5.629 ( -0.306 0.000 0.601) 0.674 5.644 ( -0.204 0.000 1.045) 1.065 5.753 ( -2.601 0.000 -1.216) 2.871 5.901 ( 0.243 0.000 -4.139) 4.146 6.097 ( 6.257 0.000 -4.131) 7.497 6.338 ( 5.108 0.000 -0.861) 5.180 6.595 ( 5.428 0.000 0.920) 5.505 ======================= Grid point 41 (19/75) ======================= q-point: (-0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.350 ( -14.003 0.000 6.564) 15.465 0.503 ( -18.938 0.000 10.919) 21.860 0.738 ( -27.035 0.000 13.754) 30.333 1.099 ( 1.378 0.000 0.556) 1.486 1.292 ( -3.101 0.000 1.577) 3.479 1.340 ( 0.109 0.000 2.742) 2.744 1.524 ( 0.226 0.000 2.771) 2.780 1.597 ( 0.333 0.000 -0.948) 1.005 1.619 ( -0.928 0.000 -0.735) 1.184 1.751 ( -1.302 0.000 -1.889) 2.294 1.941 ( 1.573 0.000 -6.832) 7.011 2.020 ( -4.019 0.000 6.158) 7.353 2.132 ( -0.570 0.000 -2.729) 2.787 2.187 ( 0.361 0.000 -0.929) 0.997 2.239 ( 5.631 0.000 -2.655) 6.225 2.305 ( -0.214 0.000 1.992) 2.003 2.379 ( 3.323 0.000 -2.074) 3.917 2.408 ( 4.995 0.000 1.572) 5.237 2.467 ( 1.914 0.000 -0.604) 2.007 2.528 ( 0.386 0.000 -3.634) 3.654 2.564 ( 1.334 0.000 -2.206) 2.578 2.654 ( 1.144 0.000 -0.944) 1.483 2.662 ( 0.226 0.000 -1.355) 1.374 2.709 ( -0.352 0.000 1.975) 2.006 2.782 ( 2.460 0.000 1.907) 3.112 2.941 ( -1.546 0.000 2.560) 2.990 2.953 ( -0.102 0.000 1.105) 1.110 2.994 ( 0.409 0.000 2.140) 2.179 2.997 ( 2.128 0.000 -0.319) 2.151 3.069 ( -3.102 0.000 -4.078) 5.124 3.130 ( 2.816 0.000 -0.387) 2.842 3.138 ( -0.770 0.000 2.291) 2.417 3.178 ( 0.628 0.000 2.578) 2.654 3.224 ( -4.002 0.000 -2.419) 4.676 3.322 ( -1.250 0.000 2.912) 3.169 3.337 ( -1.082 0.000 0.203) 1.101 3.365 ( 0.418 0.000 1.425) 1.485 3.397 ( -3.743 0.000 -1.769) 4.140 3.470 ( -1.967 0.000 0.688) 2.084 3.519 ( -3.265 0.000 3.225) 4.589 3.558 ( 1.651 0.000 3.544) 3.910 3.665 ( 0.750 0.000 -3.412) 3.494 3.760 ( -0.822 0.000 0.473) 0.948 3.790 ( 0.654 0.000 3.318) 3.382 3.866 ( -2.341 0.000 1.858) 2.989 3.928 ( -0.071 0.000 0.317) 0.325 3.986 ( 1.953 0.000 -2.685) 3.320 4.029 ( 1.031 0.000 -0.407) 1.108 4.114 ( 0.311 0.000 -0.239) 0.392 4.126 ( -0.880 0.000 1.956) 2.144 4.220 ( 4.148 0.000 3.769) 5.605 4.246 ( -0.061 0.000 -0.586) 0.589 4.265 ( -4.182 0.000 -7.487) 8.575 4.305 ( -0.886 0.000 0.656) 1.102 4.366 ( -0.750 0.000 -2.785) 2.884 4.380 ( 5.241 0.000 4.745) 7.070 4.440 ( 2.067 0.000 3.936) 4.445 4.454 ( -0.885 0.000 -4.507) 4.593 4.525 ( 1.243 0.000 -2.460) 2.756 4.553 ( -0.045 0.000 -4.240) 4.240 4.597 ( 3.091 0.000 -1.238) 3.330 4.608 ( 1.625 0.000 -1.111) 1.968 4.670 ( -1.950 0.000 -2.437) 3.121 4.709 ( -1.517 0.000 0.636) 1.645 4.743 ( -1.721 0.000 1.192) 2.093 4.773 ( 0.109 0.000 -1.233) 1.237 4.810 ( -4.107 0.000 -0.456) 4.132 4.908 ( -1.519 0.000 5.511) 5.717 4.983 ( -1.907 0.000 0.675) 2.023 5.007 ( 0.892 0.000 -1.427) 1.683 5.022 ( -2.061 0.000 -2.708) 3.403 5.086 ( -0.875 0.000 2.483) 2.633 5.204 ( 0.217 0.000 2.351) 2.361 5.258 ( 0.126 0.000 -2.244) 2.247 5.338 ( -0.925 0.000 -2.659) 2.815 5.452 ( 2.416 0.000 2.860) 3.744 5.560 ( 0.788 0.000 0.661) 1.029 5.616 ( -1.209 0.000 1.145) 1.665 5.648 ( -0.388 0.000 0.488) 0.623 5.733 ( 0.212 0.000 3.027) 3.034 5.890 ( 1.098 0.000 -0.602) 1.252 6.189 ( 5.471 0.000 -4.600) 7.148 6.412 ( 3.621 0.000 -2.131) 4.201 6.677 ( 2.764 0.000 -2.640) 3.823 ======================= Grid point 42 (20/75) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( 3.458 16.346 7.976) 18.514 0.626 ( 6.265 11.793 19.758) 23.847 0.815 ( -0.493 16.270 15.923) 22.771 1.051 ( 6.182 -10.318 10.743) 16.128 1.298 ( 0.593 -12.434 3.704) 12.988 1.405 ( 3.194 0.616 9.137) 9.699 1.474 ( 3.454 4.485 4.197) 7.047 1.649 ( 4.570 -0.582 3.061) 5.531 1.720 ( 0.936 3.708 3.483) 5.173 1.825 ( 2.300 3.311 -2.290) 4.636 1.913 ( 0.534 -1.549 2.649) 3.115 1.994 ( 1.954 -1.279 -0.313) 2.356 2.084 ( -1.519 -4.028 2.498) 4.977 2.140 ( 2.909 -4.971 4.053) 7.043 2.300 ( -0.148 -1.074 -0.737) 1.311 2.361 ( 1.352 -0.828 -0.245) 1.604 2.417 ( 0.122 -0.026 -0.454) 0.471 2.479 ( -0.523 1.483 -0.525) 1.658 2.506 ( 0.600 1.290 0.709) 1.589 2.552 ( 2.376 0.959 0.172) 2.568 2.597 ( 0.557 0.192 0.874) 1.054 2.637 ( -1.044 -3.168 2.245) 4.020 2.659 ( 1.741 -0.348 0.686) 1.903 2.735 ( 0.898 -0.135 1.263) 1.556 2.767 ( 0.633 -3.108 -1.047) 3.340 2.825 ( -0.801 -0.704 0.718) 1.285 2.873 ( -1.633 -0.228 0.111) 1.652 2.976 ( 0.159 -3.944 -2.139) 4.490 3.009 ( 1.249 0.137 -0.823) 1.502 3.039 ( -0.199 -4.187 -2.049) 4.666 3.091 ( 1.523 -0.460 0.784) 1.773 3.128 ( 3.112 -0.425 -2.925) 4.292 3.177 ( -3.851 -3.687 0.942) 5.413 3.188 ( -3.048 0.185 -0.173) 3.059 3.280 ( 1.237 1.115 0.156) 1.673 3.337 ( 0.679 2.754 -1.010) 3.011 3.396 ( 0.377 -0.209 -0.796) 0.905 3.418 ( -1.440 1.071 -0.295) 1.819 3.464 ( 0.236 2.097 -3.028) 3.691 3.532 ( -2.273 2.707 0.792) 3.623 3.611 ( -2.499 4.482 0.236) 5.137 3.672 ( -2.567 0.567 -5.530) 6.123 3.729 ( -2.565 -0.759 -0.547) 2.731 3.759 ( -4.156 2.196 1.510) 4.937 3.839 ( -1.032 -1.482 -0.229) 1.820 3.872 ( -0.775 3.442 -3.034) 4.653 3.942 ( -5.076 0.452 -7.282) 8.889 3.991 ( -5.268 1.594 -3.553) 6.551 4.061 ( -1.808 1.638 -2.934) 3.816 4.083 ( -1.367 0.442 -3.369) 3.663 4.162 ( -3.523 0.581 -1.990) 4.087 4.206 ( -0.566 1.359 -3.124) 3.453 4.263 ( -2.232 -0.753 -4.360) 4.955 4.295 ( -0.492 -3.070 -3.010) 4.328 4.309 ( -3.199 -1.553 -6.656) 7.546 4.373 ( -1.530 -2.054 0.050) 2.562 4.400 ( -2.549 -2.535 -3.925) 5.322 4.430 ( -2.558 -3.758 -4.809) 6.618 4.485 ( -0.509 0.444 -1.602) 1.738 4.519 ( 1.041 1.511 1.648) 2.466 4.557 ( -0.290 -1.222 3.312) 3.542 4.620 ( 1.144 -2.080 3.654) 4.357 4.701 ( -1.471 -2.978 2.304) 4.043 4.739 ( 1.675 3.033 0.476) 3.497 4.778 ( 2.257 0.832 3.047) 3.882 4.823 ( 0.257 0.377 1.194) 1.279 4.850 ( 2.197 3.713 0.347) 4.328 4.921 ( 0.113 0.570 4.860) 4.895 4.972 ( 1.955 1.073 1.375) 2.620 5.011 ( 0.418 -0.159 2.940) 2.973 5.051 ( 4.361 -0.048 2.351) 4.955 5.104 ( 2.011 0.259 2.278) 3.049 5.241 ( 2.009 -0.817 3.683) 4.274 5.284 ( 3.133 -1.778 1.692) 3.980 5.327 ( 3.447 -1.144 1.502) 3.930 5.477 ( 3.078 -3.668 2.729) 5.511 5.566 ( -0.373 0.688 0.634) 1.007 5.623 ( 0.527 0.005 0.750) 0.917 5.666 ( -1.242 2.403 1.033) 2.895 5.761 ( 1.253 0.060 7.007) 7.118 5.990 ( 3.509 -0.413 1.627) 3.890 6.153 ( 2.678 -5.726 -2.704) 6.875 6.513 ( -0.418 6.913 -3.823) 7.911 6.691 ( -2.921 3.485 -9.629) 10.648 ======================= Grid point 43 (21/75) ======================= q-point: ( 0.14 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 6.142 13.418 10.183) 17.929 0.742 ( 8.459 17.524 6.796) 20.612 1.177 ( 14.434 0.339 16.817) 22.165 1.269 ( 9.143 -6.545 10.381) 15.303 1.366 ( 3.954 -10.313 6.597) 12.865 1.523 ( 2.573 -0.402 8.776) 9.154 1.599 ( 6.877 5.113 5.533) 10.201 1.721 ( -0.279 -1.299 2.501) 2.833 1.783 ( 3.156 2.459 6.057) 7.259 1.873 ( 3.460 -1.720 -2.077) 4.387 1.953 ( 1.633 1.622 5.658) 6.109 2.024 ( 1.798 1.308 -1.074) 2.469 2.099 ( 1.174 1.307 0.920) 1.983 2.262 ( 3.116 -2.496 3.403) 5.246 2.306 ( 2.400 -2.959 0.087) 3.811 2.349 ( -0.830 -1.375 4.123) 4.425 2.404 ( -3.252 1.417 -0.956) 3.674 2.442 ( 0.152 -2.110 0.407) 2.154 2.531 ( 1.055 1.046 1.415) 2.052 2.579 ( 0.160 -2.501 0.975) 2.689 2.616 ( -0.168 -1.486 -0.735) 1.666 2.650 ( 0.518 -4.444 2.290) 5.026 2.704 ( 2.697 1.430 3.267) 4.471 2.735 ( -2.145 -2.020 0.761) 3.043 2.793 ( 1.400 -1.111 2.922) 3.426 2.820 ( 1.477 2.678 -0.582) 3.113 2.871 ( 0.964 -0.946 2.092) 2.490 2.981 ( 0.979 -2.537 -2.534) 3.717 3.014 ( -0.095 -1.823 -3.590) 4.028 3.032 ( 0.086 -3.215 -0.769) 3.306 3.078 ( -2.065 -0.685 -0.048) 2.176 3.114 ( -0.078 -2.572 -2.411) 3.526 3.129 ( -0.854 2.490 0.566) 2.693 3.196 ( 1.393 3.600 -0.026) 3.860 3.290 ( -1.497 1.560 -0.734) 2.283 3.297 ( -1.797 -1.209 -3.016) 3.713 3.361 ( -2.599 2.228 -0.049) 3.423 3.394 ( -4.531 -2.249 -4.956) 7.081 3.447 ( -0.687 1.756 -0.153) 1.892 3.476 ( 1.228 2.819 -3.202) 4.439 3.574 ( -1.107 4.857 -4.069) 6.432 3.608 ( -0.398 2.268 -4.149) 4.745 3.649 ( -3.986 0.899 -2.240) 4.660 3.710 ( -2.973 2.911 -1.174) 4.323 3.744 ( -3.443 -0.031 -5.241) 6.270 3.839 ( -0.378 1.372 -2.570) 2.937 3.873 ( -2.237 -0.320 -3.936) 4.539 3.917 ( -1.770 2.939 -1.633) 3.799 3.954 ( -3.334 -1.570 -5.576) 6.684 4.027 ( -4.904 0.678 -3.868) 6.283 4.062 ( -7.250 0.097 -9.004) 11.561 4.101 ( -1.051 -1.910 -0.948) 2.378 4.179 ( -3.099 -1.298 -0.975) 3.499 4.222 ( -1.582 0.460 -1.623) 2.313 4.282 ( -1.264 -1.018 -3.728) 4.065 4.357 ( 0.044 -3.706 -0.023) 3.706 4.376 ( -1.032 -1.374 -1.008) 1.992 4.405 ( 1.646 -4.780 -2.123) 5.483 4.479 ( 0.663 -2.622 -0.788) 2.817 4.554 ( 0.204 -2.584 0.169) 2.597 4.577 ( 2.810 -2.322 1.287) 3.866 4.670 ( 1.120 0.436 2.307) 2.601 4.685 ( 0.018 -1.269 1.521) 1.981 4.761 ( 1.046 1.253 -1.514) 2.226 4.796 ( -0.556 1.376 2.072) 2.549 4.856 ( 0.761 -0.296 2.414) 2.548 4.892 ( 1.545 3.867 0.973) 4.276 4.948 ( 0.273 3.029 2.895) 4.199 4.995 ( 0.412 -0.135 1.975) 2.022 5.066 ( 1.921 1.577 2.356) 3.425 5.156 ( 2.718 -1.531 2.849) 4.225 5.173 ( 4.660 1.646 2.793) 5.677 5.294 ( 2.614 -0.682 0.073) 2.703 5.373 ( 3.651 -1.741 4.146) 5.792 5.424 ( 4.441 -0.465 2.345) 5.043 5.490 ( -0.420 -2.148 -2.594) 3.394 5.592 ( -0.921 1.111 4.289) 4.525 5.631 ( 0.151 0.937 1.232) 1.555 5.662 ( 1.119 0.343 1.624) 2.002 5.825 ( 0.235 -2.317 6.819) 7.206 6.039 ( 0.770 -2.491 2.486) 3.603 6.160 ( -0.452 1.057 -1.682) 2.038 6.451 ( -3.208 5.311 -5.533) 8.313 6.543 ( -5.815 2.629 -5.874) 8.674 ======================= Grid point 44 (22/75) ======================= q-point: ( 0.29 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 7.964 7.288 8.805) 13.931 1.004 ( 13.767 9.886 2.626) 17.151 1.357 ( 1.512 -5.712 5.661) 8.183 1.433 ( 1.912 -4.810 2.891) 5.928 1.526 ( 5.329 -0.990 4.521) 7.058 1.613 ( 1.711 -1.684 4.577) 5.168 1.673 ( -4.747 -4.244 6.402) 9.030 1.790 ( 4.544 0.677 3.630) 5.855 1.878 ( 5.546 2.197 -0.274) 5.971 1.918 ( 3.534 -2.718 -1.315) 4.648 1.983 ( -0.443 3.084 -0.753) 3.206 2.086 ( 3.076 4.603 4.262) 6.986 2.151 ( 1.472 4.713 3.545) 6.078 2.211 ( -1.848 0.617 -1.167) 2.271 2.301 ( -2.178 1.489 -0.977) 2.813 2.391 ( 1.551 -0.220 -1.794) 2.382 2.430 ( 2.103 -1.938 0.693) 2.942 2.476 ( 1.668 -3.087 3.252) 4.784 2.547 ( -2.570 0.596 0.264) 2.651 2.581 ( -0.013 -0.481 1.683) 1.750 2.594 ( 1.977 0.315 -0.200) 2.012 2.677 ( -0.223 -5.397 -0.679) 5.444 2.720 ( -2.135 -0.982 2.682) 3.566 2.753 ( 0.947 -2.271 0.330) 2.482 2.808 ( -2.137 -1.919 0.229) 2.881 2.858 ( 0.927 -1.808 -0.198) 2.042 2.893 ( 3.152 -0.776 2.152) 3.895 2.956 ( -1.238 1.643 -1.158) 2.361 3.002 ( -0.753 0.627 0.650) 1.175 3.025 ( 2.230 -1.284 -1.419) 2.939 3.089 ( 0.455 1.514 0.642) 1.706 3.126 ( 0.276 0.817 -0.773) 1.158 3.133 ( 0.437 -1.025 -1.079) 1.551 3.193 ( -0.100 0.648 0.269) 0.709 3.203 ( -3.222 -0.809 -5.818) 6.699 3.263 ( 1.770 -0.618 1.763) 2.573 3.302 ( -3.551 -1.218 -0.565) 3.796 3.343 ( 0.927 0.610 1.320) 1.724 3.419 ( -3.324 0.508 -2.625) 4.266 3.461 ( -0.236 2.702 -0.698) 2.800 3.520 ( -1.956 0.701 -0.189) 2.087 3.571 ( -3.355 0.620 -3.088) 4.602 3.609 ( 2.813 0.945 -2.029) 3.595 3.649 ( -0.231 0.298 -1.293) 1.347 3.707 ( -1.763 4.234 -1.017) 4.698 3.777 ( -3.986 0.495 -4.302) 5.886 3.798 ( -2.217 -3.026 -1.137) 3.920 3.856 ( -2.405 1.091 -3.823) 4.646 3.871 ( -1.609 1.566 -2.167) 3.121 3.958 ( 1.487 1.652 -3.103) 3.817 3.997 ( 0.183 0.796 1.123) 1.389 4.072 ( -1.484 -1.116 0.404) 1.900 4.139 ( -2.561 -1.663 1.425) 3.369 4.205 ( 0.868 1.787 -0.480) 2.044 4.240 ( -0.985 1.459 -1.701) 2.448 4.337 ( -1.317 -4.004 -0.251) 4.223 4.361 ( -0.941 -0.797 0.932) 1.546 4.406 ( -0.893 -2.926 -0.012) 3.059 4.500 ( 3.309 -3.918 -2.487) 5.700 4.578 ( 2.180 -2.191 -1.170) 3.305 4.635 ( 2.691 -2.867 0.060) 3.933 4.670 ( -1.521 2.565 0.242) 2.992 4.716 ( 1.895 -0.342 -0.707) 2.051 4.769 ( 0.252 -1.502 0.598) 1.636 4.802 ( 0.513 1.954 -0.698) 2.137 4.868 ( -0.443 1.368 0.644) 1.575 4.902 ( -0.683 3.611 0.389) 3.696 4.963 ( -0.299 1.477 1.543) 2.157 5.040 ( 2.648 -0.359 1.809) 3.227 5.090 ( -0.108 1.174 1.138) 1.639 5.204 ( 1.440 -2.252 0.344) 2.695 5.265 ( 3.578 2.112 1.774) 4.517 5.331 ( 1.562 0.979 -1.154) 2.175 5.423 ( -0.822 -1.479 0.070) 1.694 5.467 ( 0.423 -2.409 -1.115) 2.688 5.496 ( 1.399 1.923 0.778) 2.502 5.579 ( -1.130 -2.119 2.519) 3.480 5.659 ( 0.482 1.867 2.391) 3.072 5.704 ( 1.126 0.343 2.666) 2.914 5.844 ( -1.456 -4.457 2.976) 5.554 6.067 ( 0.503 -2.163 3.457) 4.109 6.130 ( -1.575 7.516 -2.169) 7.980 6.326 ( -5.649 1.918 -4.316) 7.363 6.432 ( -2.774 -1.446 -5.668) 6.474 ======================= Grid point 45 (23/75) ======================= q-point: ( 0.43 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 6.337 0.058 4.289) 7.653 1.205 ( 3.763 1.507 2.676) 4.857 1.326 ( -4.782 -3.159 -1.020) 5.822 1.422 ( -4.626 -0.983 -1.490) 4.958 1.544 ( -4.246 -0.644 0.710) 4.353 1.597 ( 0.566 -1.084 0.313) 1.262 1.698 ( -3.179 -0.470 1.739) 3.654 1.778 ( -0.324 -0.726 -0.770) 1.107 1.908 ( -0.192 -2.635 -3.449) 4.344 1.958 ( 0.488 4.754 -2.776) 5.527 2.011 ( 2.494 -1.296 -1.741) 3.306 2.062 ( -1.349 4.188 -4.020) 5.960 2.185 ( -1.715 0.353 -2.599) 3.134 2.204 ( -0.861 1.333 2.946) 3.347 2.309 ( 0.933 2.595 -2.477) 3.706 2.381 ( -2.188 2.599 -3.174) 4.650 2.447 ( 1.399 -1.118 -1.989) 2.676 2.459 ( -1.090 -2.350 -3.705) 4.521 2.512 ( -1.271 0.016 -1.938) 2.318 2.546 ( -2.998 1.568 -2.252) 4.064 2.594 ( -4.012 -1.819 -0.575) 4.443 2.662 ( -2.732 0.141 -0.315) 2.754 2.691 ( 1.446 -1.593 -0.321) 2.175 2.734 ( 2.587 0.112 -0.373) 2.616 2.821 ( 1.291 -1.666 -0.413) 2.147 2.873 ( -0.470 1.360 2.017) 2.478 2.922 ( -0.248 0.242 -1.753) 1.787 2.954 ( -1.801 0.443 -0.391) 1.896 2.984 ( -1.906 1.183 -1.994) 3.002 3.011 ( -3.109 1.600 0.773) 3.580 3.074 ( 1.148 1.728 1.624) 2.635 3.113 ( 1.449 -0.445 -0.018) 1.516 3.150 ( 2.177 -3.548 0.279) 4.172 3.208 ( 1.904 -0.101 3.201) 3.726 3.229 ( 0.425 -2.343 0.687) 2.478 3.268 ( 1.549 -4.316 3.457) 5.742 3.331 ( 0.074 -0.869 -1.899) 2.090 3.359 ( 1.842 -0.011 5.148) 5.468 3.450 ( 2.650 2.380 5.384) 6.455 3.474 ( 0.188 -1.995 4.231) 4.682 3.504 ( 2.230 -3.589 3.029) 5.199 3.526 ( -0.086 -2.379 4.415) 5.016 3.627 ( 0.296 2.832 -0.324) 2.866 3.658 ( -1.235 -0.434 -0.210) 1.326 3.713 ( 3.363 1.169 2.347) 4.265 3.733 ( 2.899 0.759 2.686) 4.024 3.789 ( 0.699 -1.517 -0.909) 1.901 3.825 ( 1.400 1.010 2.973) 3.437 3.896 ( 2.318 1.629 3.007) 4.132 3.967 ( 0.543 -1.736 -2.419) 3.027 4.006 ( 0.622 4.141 1.141) 4.340 4.066 ( -0.774 1.183 1.848) 2.327 4.123 ( 0.657 0.451 1.476) 1.677 4.209 ( -1.907 2.422 1.168) 3.297 4.244 ( 2.573 1.182 -0.421) 2.863 4.313 ( -0.557 0.049 -0.058) 0.562 4.353 ( -0.590 -0.512 1.304) 1.519 4.414 ( 2.163 -1.752 -0.967) 2.946 4.545 ( 2.589 -2.609 -2.896) 4.680 4.595 ( -0.296 -0.933 0.092) 0.983 4.623 ( -2.518 1.389 -0.675) 2.954 4.670 ( 0.534 -1.978 -1.110) 2.330 4.727 ( 0.817 0.274 -1.557) 1.779 4.775 ( -0.031 -1.222 -0.421) 1.292 4.793 ( -1.725 0.307 -0.875) 1.959 4.859 ( 0.915 2.841 -1.705) 3.438 4.895 ( 0.500 4.032 -1.600) 4.366 4.965 ( -0.006 1.459 0.443) 1.525 5.047 ( -2.045 1.002 -0.205) 2.286 5.104 ( -0.516 -1.833 1.426) 2.379 5.225 ( 1.886 -3.316 -3.380) 5.097 5.313 ( 0.117 0.251 0.667) 0.722 5.326 ( -0.879 1.408 -1.873) 2.502 5.386 ( -1.205 -2.211 -2.362) 3.452 5.456 ( -0.976 -0.893 -0.667) 1.481 5.512 ( 0.544 -0.122 0.197) 0.592 5.573 ( -0.560 -3.111 -1.080) 3.341 5.661 ( -1.988 1.796 1.285) 2.971 5.722 ( -1.136 0.935 3.280) 3.595 5.828 ( -1.275 -3.073 1.057) 3.491 6.030 ( -4.893 6.873 -6.103) 10.413 6.120 ( 1.952 0.293 1.846) 2.703 6.231 ( -2.782 0.076 -2.753) 3.915 6.391 ( 2.719 -2.544 -3.546) 5.142 ======================= Grid point 46 (24/75) ======================= q-point: (-0.43 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -11.628 -3.807 3.851) 12.827 1.105 ( -10.482 -0.211 -4.001) 11.222 1.232 ( -5.112 -2.715 -6.626) 8.798 1.352 ( -1.983 0.755 -5.218) 5.633 1.449 ( -5.493 -4.151 -2.522) 7.333 1.474 ( -8.068 -4.895 -4.143) 10.306 1.638 ( -2.882 -0.682 -2.002) 3.575 1.789 ( -2.010 2.422 -3.602) 4.783 1.857 ( -4.697 5.427 -4.134) 8.283 1.922 ( -0.961 4.795 -1.537) 5.126 1.990 ( -0.526 -0.230 -2.737) 2.797 2.062 ( 0.529 1.230 -1.398) 1.935 2.099 ( -5.486 2.421 0.115) 5.998 2.179 ( 0.850 2.162 -1.657) 2.854 2.247 ( -3.024 2.309 -3.314) 5.046 2.335 ( 0.459 1.489 -2.336) 2.808 2.408 ( -0.681 -1.699 -1.898) 2.637 2.437 ( -2.458 -0.435 -3.523) 4.317 2.452 ( 0.559 0.811 -4.341) 4.452 2.531 ( -1.017 0.574 -2.851) 3.081 2.571 ( 0.741 1.253 -0.401) 1.510 2.615 ( -0.049 -0.440 -2.777) 2.812 2.683 ( -1.884 -0.937 -1.876) 2.819 2.748 ( -0.045 -0.965 -1.321) 1.637 2.813 ( -3.784 -0.565 0.339) 3.841 2.841 ( -0.616 0.707 -1.572) 1.830 2.897 ( 1.719 2.812 -0.580) 3.346 2.927 ( -0.111 -0.498 -2.699) 2.746 2.960 ( 0.646 -0.649 3.637) 3.750 3.063 ( 1.406 -3.464 0.306) 3.751 3.081 ( 0.101 -2.704 -1.556) 3.122 3.148 ( -1.162 -2.327 2.018) 3.293 3.163 ( 0.451 -0.541 0.835) 1.092 3.226 ( 1.742 -1.431 2.682) 3.504 3.266 ( 1.891 -4.465 3.188) 5.803 3.301 ( -1.961 -1.086 1.571) 2.737 3.369 ( -0.867 -2.573 2.738) 3.857 3.402 ( 2.677 -1.210 3.462) 4.540 3.465 ( 2.233 -0.523 3.399) 4.101 3.541 ( -0.017 -3.510 3.651) 5.065 3.572 ( 2.698 1.055 2.907) 4.104 3.607 ( 0.229 3.417 2.962) 4.528 3.687 ( 5.204 1.894 6.590) 8.608 3.722 ( 5.767 -1.823 6.027) 8.538 3.786 ( 0.922 2.813 1.097) 3.157 3.797 ( 4.532 -0.632 3.142) 5.551 3.872 ( 5.231 0.294 7.403) 9.069 3.919 ( 1.799 0.992 6.442) 6.761 3.972 ( 4.222 -1.455 4.412) 6.277 3.991 ( 2.054 0.117 3.203) 3.807 4.032 ( 1.367 3.690 3.400) 5.201 4.102 ( 4.552 0.316 4.470) 6.387 4.162 ( 0.465 1.002 0.435) 1.187 4.185 ( -0.116 3.104 4.722) 5.652 4.286 ( 2.634 1.440 -0.115) 3.004 4.329 ( 0.921 1.246 1.568) 2.204 4.374 ( 2.147 2.614 1.183) 3.583 4.454 ( 2.311 -1.501 -1.067) 2.955 4.516 ( -3.039 2.539 -1.047) 4.096 4.574 ( -2.271 0.015 -1.079) 2.514 4.594 ( 0.041 -3.283 -2.066) 3.879 4.658 ( 0.158 -1.590 -1.896) 2.480 4.711 ( -2.925 -0.415 -0.335) 2.973 4.750 ( 0.623 0.083 -3.264) 3.324 4.767 ( -0.676 0.806 -1.600) 1.914 4.874 ( -0.459 3.346 -0.172) 3.382 4.893 ( 1.790 0.074 -3.172) 3.643 4.966 ( 0.693 2.498 -3.192) 4.112 5.001 ( -2.578 -0.046 0.409) 2.611 5.067 ( -3.531 -1.772 0.354) 3.966 5.187 ( -3.676 -3.591 -4.437) 6.789 5.259 ( -3.101 0.313 -3.982) 5.057 5.305 ( -1.236 0.267 -3.296) 3.531 5.366 ( 0.047 -3.052 -0.744) 3.141 5.408 ( -3.046 -2.534 -4.033) 5.654 5.526 ( 0.302 0.364 -0.936) 1.049 5.555 ( -0.036 -1.759 -1.910) 2.597 5.604 ( -3.638 1.618 0.350) 3.997 5.711 ( -2.140 1.688 3.168) 4.179 5.796 ( -2.790 -1.633 -1.038) 3.395 5.935 ( -0.292 1.823 -4.585) 4.943 6.092 ( -2.555 1.284 -5.559) 6.251 6.258 ( 6.282 1.143 -0.092) 6.386 6.470 ( 6.112 -1.756 -0.248) 6.364 ======================= Grid point 47 (25/75) ======================= q-point: (-0.29 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -17.497 2.446 2.747) 17.879 0.810 ( -16.998 2.801 -6.841) 18.536 1.065 ( -7.287 -5.858 -6.437) 11.351 1.161 ( -10.581 -4.510 -5.388) 12.701 1.320 ( -3.780 -5.433 -5.337) 8.502 1.413 ( -2.006 -2.115 -1.159) 3.137 1.549 ( -6.647 -0.010 0.237) 6.651 1.639 ( -8.827 7.833 0.585) 11.816 1.742 ( -3.507 5.898 -2.001) 7.148 1.862 ( -1.835 3.198 -5.026) 6.233 1.958 ( -3.760 -1.792 -0.180) 4.169 2.034 ( -1.406 1.563 0.965) 2.313 2.106 ( 0.802 -1.767 -0.203) 1.951 2.180 ( 3.522 3.302 -1.465) 5.045 2.243 ( -1.432 0.934 -2.332) 2.891 2.320 ( -2.359 -1.785 -1.099) 3.156 2.357 ( 2.444 1.984 -1.096) 3.333 2.411 ( 1.882 4.867 -1.840) 5.533 2.485 ( 2.881 -0.129 -1.062) 3.073 2.513 ( 0.574 0.257 -4.262) 4.308 2.568 ( 2.390 0.653 -3.876) 4.600 2.617 ( 0.651 -1.383 -1.079) 1.871 2.664 ( 0.880 -0.084 -0.050) 0.886 2.700 ( -3.479 -0.988 0.357) 3.634 2.774 ( -1.856 -3.062 1.756) 3.988 2.834 ( -0.469 0.949 0.342) 1.113 2.919 ( 0.994 -1.251 -1.370) 2.105 2.950 ( 1.910 -0.468 0.651) 2.071 2.976 ( 0.521 -2.339 0.894) 2.558 3.045 ( -0.725 -4.032 -1.397) 4.328 3.081 ( 0.735 -2.977 -1.202) 3.294 3.130 ( -1.720 -5.450 -1.454) 5.897 3.191 ( 0.714 -2.227 1.214) 2.635 3.227 ( -1.857 -3.766 -0.486) 4.227 3.273 ( -0.135 1.045 3.883) 4.023 3.326 ( 0.663 1.451 2.330) 2.824 3.381 ( 0.437 -0.691 1.031) 1.316 3.438 ( -0.323 0.012 1.920) 1.947 3.505 ( 0.473 -0.423 -0.069) 0.638 3.557 ( -1.120 0.987 2.269) 2.716 3.622 ( 1.847 0.781 2.040) 2.861 3.655 ( 1.790 4.325 3.843) 6.056 3.747 ( 0.638 0.332 1.546) 1.705 3.793 ( 0.221 1.894 0.441) 1.957 3.859 ( 2.772 -2.082 3.574) 4.979 3.915 ( -1.005 0.911 3.553) 3.804 3.942 ( 3.395 0.815 4.858) 5.983 4.009 ( 2.380 0.425 4.154) 4.806 4.037 ( 3.377 1.984 2.745) 4.783 4.099 ( 4.530 3.605 5.405) 7.920 4.135 ( 4.904 -1.425 5.043) 7.177 4.179 ( 2.140 1.462 5.094) 5.716 4.239 ( 3.848 1.027 8.770) 9.632 4.290 ( 4.630 1.276 6.194) 7.838 4.334 ( 1.291 2.873 1.670) 3.565 4.366 ( 2.114 2.572 2.981) 4.468 4.410 ( 0.945 -0.494 -1.527) 1.862 4.440 ( -0.763 1.647 -0.867) 2.011 4.502 ( 0.559 -1.583 0.267) 1.700 4.537 ( -1.108 -2.107 -2.585) 3.514 4.565 ( -0.316 -1.048 -0.885) 1.408 4.645 ( -1.431 -2.183 -0.329) 2.630 4.672 ( -0.263 0.676 -1.885) 2.019 4.726 ( -1.384 -0.987 -3.207) 3.629 4.749 ( 0.344 0.932 -2.140) 2.359 4.850 ( -1.053 1.467 -1.025) 2.076 4.892 ( -1.593 0.416 -1.517) 2.239 4.942 ( -1.272 -0.261 -1.712) 2.149 4.973 ( 0.025 0.724 -1.902) 2.035 5.003 ( -2.962 -1.564 1.619) 3.720 5.085 ( -3.286 -2.864 -4.359) 6.164 5.160 ( -4.445 0.855 -5.268) 6.945 5.226 ( -3.517 -0.704 -5.156) 6.281 5.312 ( -3.331 -1.618 -4.543) 5.861 5.367 ( 0.081 -1.168 -1.387) 1.815 5.448 ( -4.795 -0.453 -2.978) 5.663 5.558 ( 0.262 0.759 0.845) 1.166 5.598 ( 1.187 -0.084 0.612) 1.338 5.690 ( -1.840 1.605 2.041) 3.182 5.737 ( -2.314 -1.105 -0.879) 2.711 5.919 ( 0.292 0.980 -3.988) 4.117 6.058 ( 3.026 -3.772 -4.435) 6.562 6.391 ( 8.028 5.224 -1.602) 9.711 6.587 ( 6.447 -1.463 0.149) 6.613 ======================= Grid point 48 (26/75) ======================= q-point: (-0.14 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( -9.955 10.302 5.178) 15.232 0.528 ( -12.502 9.662 7.310) 17.409 0.922 ( -9.280 1.517 4.742) 10.531 0.980 ( -5.080 -4.754 1.728) 7.169 1.274 ( 0.252 -7.059 1.026) 7.137 1.359 ( -3.764 1.010 4.504) 5.956 1.439 ( -2.889 5.036 2.262) 6.231 1.580 ( 0.759 -0.412 0.479) 0.988 1.705 ( -0.662 4.749 0.483) 4.819 1.818 ( 0.625 1.955 -4.336) 4.797 1.907 ( -1.211 -0.315 0.006) 1.251 1.992 ( -2.340 -2.201 1.093) 3.394 2.106 ( -1.251 -2.925 1.237) 3.413 2.139 ( -3.674 -4.010 -0.434) 5.456 2.288 ( 4.066 1.928 -1.063) 4.624 2.316 ( 1.399 0.258 1.512) 2.076 2.393 ( 2.490 1.622 -2.996) 4.220 2.455 ( 2.033 1.690 0.811) 2.765 2.503 ( 1.425 0.216 -1.568) 2.130 2.520 ( 0.863 3.741 -0.845) 3.931 2.596 ( 0.899 0.373 -1.202) 1.547 2.611 ( 1.718 -1.393 -2.153) 3.087 2.666 ( -1.990 -2.924 2.784) 4.501 2.713 ( 1.718 0.551 1.871) 2.599 2.746 ( 0.201 -3.796 0.279) 3.811 2.835 ( -0.112 3.878 -0.479) 3.909 2.900 ( -2.219 -4.027 0.157) 4.600 2.968 ( 0.853 -2.702 0.900) 2.973 3.024 ( 2.233 -2.320 -0.344) 3.238 3.039 ( 0.510 -1.546 -1.132) 1.983 3.066 ( -0.313 -2.466 -3.587) 4.364 3.101 ( 0.536 -6.264 -1.651) 6.500 3.193 ( 1.073 -4.881 -0.142) 5.000 3.237 ( 0.221 -3.693 0.755) 3.776 3.265 ( -2.388 4.053 1.999) 5.111 3.339 ( -0.092 4.476 0.693) 4.530 3.383 ( -0.242 -1.417 0.389) 1.489 3.437 ( -0.891 1.871 1.322) 2.458 3.501 ( -1.704 2.051 -0.226) 2.676 3.532 ( -0.249 2.356 -0.055) 2.370 3.651 ( -0.983 3.311 0.526) 3.494 3.687 ( 1.154 0.388 0.633) 1.372 3.754 ( -0.548 0.393 0.586) 0.893 3.798 ( -0.820 4.005 1.792) 4.464 3.870 ( -2.040 -1.398 0.471) 2.518 3.893 ( -1.587 1.061 1.603) 2.493 4.017 ( 1.909 0.032 1.446) 2.396 4.032 ( 0.598 1.952 -2.748) 3.424 4.119 ( 1.210 -0.279 1.616) 2.038 4.160 ( -2.272 -1.714 -2.193) 3.593 4.181 ( -0.101 -1.347 1.755) 2.215 4.238 ( -2.196 2.097 -2.125) 3.706 4.287 ( -0.319 3.743 -0.002) 3.757 4.329 ( 1.250 1.604 2.212) 3.005 4.366 ( -1.523 0.294 -1.495) 2.154 4.407 ( -0.177 0.343 1.156) 1.219 4.435 ( -0.372 -0.031 0.636) 0.737 4.467 ( 2.384 0.588 1.304) 2.780 4.504 ( 0.722 -2.069 -2.041) 2.995 4.530 ( -0.097 -1.379 1.568) 2.091 4.563 ( 0.481 -2.734 1.602) 3.205 4.598 ( -3.643 -2.878 -2.798) 5.420 4.673 ( 1.325 -2.546 2.210) 3.623 4.689 ( 1.481 2.782 -1.841) 3.650 4.761 ( 0.455 1.603 0.486) 1.736 4.804 ( -0.800 1.490 -1.909) 2.550 4.855 ( -1.819 1.713 -0.827) 2.632 4.891 ( -2.079 -1.065 2.565) 3.469 4.971 ( -0.569 -0.469 0.390) 0.834 4.999 ( -0.629 -0.419 -3.943) 4.015 5.035 ( 0.723 -2.548 3.179) 4.138 5.060 ( -1.362 2.422 -2.340) 3.632 5.186 ( 0.561 -1.259 2.199) 2.595 5.255 ( -0.019 -0.798 -1.823) 1.991 5.323 ( -2.463 -0.816 -2.304) 3.470 5.407 ( 0.957 -2.605 2.273) 3.587 5.572 ( 0.463 1.724 0.241) 1.801 5.613 ( 0.022 0.298 0.609) 0.678 5.675 ( -1.008 1.719 1.381) 2.424 5.716 ( -0.088 -0.419 2.523) 2.559 5.922 ( 2.645 1.641 -1.466) 3.441 6.108 ( 4.107 -7.111 -3.210) 8.817 6.499 ( 4.674 7.328 -3.123) 9.235 6.698 ( 6.201 -0.415 -4.064) 7.426 ======================= Grid point 49 (27/75) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 3.958 0.000 8.357) 9.247 0.808 ( 5.683 -0.000 11.591) 12.909 0.863 ( 7.874 -0.000 14.614) 16.601 0.943 ( 11.183 0.000 2.426) 11.443 1.139 ( -6.003 0.000 7.113) 9.307 1.451 ( 0.362 0.000 9.741) 9.748 1.536 ( 5.104 0.000 0.323) 5.114 1.706 ( 1.746 0.000 1.621) 2.382 1.738 ( 3.040 -0.000 7.766) 8.340 1.830 ( -2.285 -0.000 2.893) 3.687 1.831 ( 0.024 0.000 1.105) 1.105 1.991 ( 2.595 0.000 6.186) 6.708 2.023 ( -0.328 0.000 2.418) 2.440 2.092 ( 2.734 0.000 2.952) 4.023 2.277 ( -0.392 0.000 -1.112) 1.179 2.330 ( -0.889 0.000 -1.198) 1.492 2.409 ( 1.434 0.000 -0.310) 1.467 2.517 ( -1.251 0.000 -1.962) 2.326 2.520 ( 1.575 -0.000 4.414) 4.686 2.570 ( 0.382 0.000 -0.149) 0.410 2.579 ( -1.055 0.000 -0.176) 1.070 2.639 ( -0.285 -0.000 -0.218) 0.359 2.655 ( -0.152 0.000 2.349) 2.354 2.680 ( 0.630 0.000 0.978) 1.163 2.789 ( 0.163 0.000 2.004) 2.011 2.859 ( 1.696 0.000 -1.908) 2.553 2.890 ( -0.130 0.000 -3.488) 3.490 2.902 ( 0.195 0.000 -2.190) 2.199 2.972 ( -0.688 0.000 -1.006) 1.219 3.017 ( 0.815 0.000 -0.789) 1.135 3.059 ( 2.056 0.000 -0.926) 2.255 3.127 ( 4.617 0.000 -2.068) 5.059 3.154 ( 0.700 0.000 1.009) 1.228 3.174 ( -1.684 0.000 0.257) 1.704 3.307 ( -0.716 0.000 -0.463) 0.852 3.345 ( -0.549 0.000 -1.893) 1.971 3.387 ( 0.859 0.000 0.695) 1.105 3.429 ( -0.748 0.000 -1.553) 1.724 3.499 ( -0.440 0.000 -3.811) 3.836 3.551 ( -2.942 0.000 -0.463) 2.978 3.659 ( 1.323 0.000 -2.185) 2.555 3.690 ( -0.256 0.000 -1.894) 1.911 3.740 ( -4.661 0.000 -2.015) 5.078 3.752 ( -2.833 0.000 1.339) 3.134 3.844 ( -2.604 0.000 0.033) 2.605 3.928 ( -4.992 0.000 -9.505) 10.736 3.940 ( -1.936 0.000 -2.666) 3.294 4.023 ( -2.762 0.000 1.532) 3.158 4.044 ( -4.005 0.000 -4.915) 6.340 4.119 ( -1.772 0.000 -4.335) 4.683 4.167 ( -2.160 0.000 -0.526) 2.223 4.217 ( 1.263 -0.000 -3.261) 3.498 4.225 ( -2.653 0.000 -3.995) 4.796 4.270 ( -2.236 0.000 -4.453) 4.983 4.300 ( -4.402 0.000 -7.225) 8.460 4.343 ( -8.108 0.000 -6.466) 10.370 4.371 ( -2.105 0.000 -2.982) 3.650 4.417 ( -3.273 0.000 0.540) 3.317 4.492 ( -2.559 0.000 1.600) 3.018 4.519 ( -0.116 0.000 4.123) 4.125 4.552 ( 1.932 0.000 4.896) 5.263 4.582 ( 0.371 0.000 1.940) 1.975 4.658 ( -0.109 0.000 3.158) 3.160 4.772 ( 3.286 0.000 1.287) 3.529 4.787 ( 0.626 0.000 3.450) 3.506 4.824 ( -1.021 0.000 0.323) 1.071 4.895 ( 2.351 0.000 -1.004) 2.557 4.936 ( 2.505 0.000 4.883) 5.488 4.970 ( 2.092 0.000 1.976) 2.878 5.030 ( 2.851 0.000 1.158) 3.078 5.035 ( 2.369 0.000 3.103) 3.904 5.125 ( 3.258 0.000 -1.545) 3.606 5.242 ( 1.036 0.000 0.870) 1.353 5.243 ( 3.603 -0.000 5.378) 6.473 5.312 ( 3.563 0.000 1.218) 3.765 5.444 ( 2.757 0.000 3.100) 4.149 5.577 ( -0.621 0.000 -0.270) 0.677 5.624 ( 0.559 0.000 0.674) 0.876 5.712 ( -1.674 0.000 4.045) 4.378 5.754 ( 1.332 0.000 3.347) 3.603 5.977 ( 0.472 0.000 2.546) 2.590 6.087 ( 6.099 0.000 -2.321) 6.525 6.599 ( -1.930 0.000 -3.032) 3.594 6.701 ( 0.069 0.000 -9.182) 9.182 ======================= Grid point 51 (28/75) ======================= q-point: ( 0.14 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 5.787 0.000 6.814) 8.939 0.975 ( 1.523 0.000 8.281) 8.420 1.104 ( 4.973 0.000 7.201) 8.751 1.186 ( 12.502 -0.000 14.716) 19.310 1.234 ( 11.557 0.000 7.424) 13.736 1.533 ( 1.143 0.000 9.028) 9.100 1.656 ( 3.070 0.000 5.182) 6.023 1.744 ( 3.269 0.000 -0.450) 3.300 1.821 ( 2.788 0.000 -3.364) 4.369 1.832 ( 0.503 -0.000 4.541) 4.569 1.950 ( 7.329 0.000 12.010) 14.070 2.057 ( 2.279 0.000 3.831) 4.458 2.079 ( 3.712 0.000 4.849) 6.107 2.238 ( 6.882 0.000 3.096) 7.547 2.273 ( 2.689 0.000 -1.001) 2.869 2.295 ( -2.416 0.000 2.441) 3.435 2.405 ( -1.936 0.000 -1.334) 2.351 2.449 ( -4.775 0.000 -1.694) 5.066 2.540 ( 1.425 0.000 2.261) 2.673 2.553 ( -1.416 0.000 3.233) 3.530 2.598 ( 1.298 0.000 0.928) 1.595 2.617 ( -2.276 0.000 -1.884) 2.955 2.707 ( 0.976 0.000 4.438) 4.544 2.716 ( 3.223 0.000 0.414) 3.250 2.804 ( 0.684 0.000 1.212) 1.392 2.846 ( -3.321 0.000 -1.087) 3.494 2.908 ( 2.589 -0.000 -2.676) 3.723 2.916 ( 2.664 0.000 0.618) 2.734 2.973 ( 2.417 0.000 -1.470) 2.828 3.004 ( -0.532 0.000 -1.292) 1.397 3.053 ( -1.338 0.000 -1.670) 2.140 3.096 ( -1.136 0.000 -0.177) 1.149 3.169 ( 0.105 0.000 0.153) 0.186 3.227 ( 1.509 0.000 -0.269) 1.532 3.292 ( -2.304 0.000 -4.317) 4.893 3.296 ( -0.818 -0.000 0.727) 1.094 3.367 ( -2.876 0.000 -4.420) 5.273 3.381 ( -4.965 0.000 -1.153) 5.097 3.479 ( 0.009 0.000 -0.860) 0.860 3.502 ( 0.669 -0.000 -2.295) 2.390 3.628 ( -2.279 -1.110 -3.319) 4.177 3.628 ( -5.200 1.110 -0.763) 5.372 3.691 ( 0.294 -0.000 -3.576) 3.588 3.700 ( -3.235 0.000 -7.324) 8.007 3.774 ( -1.889 0.000 -2.424) 3.073 3.845 ( 1.501 0.000 -0.120) 1.506 3.875 ( -5.162 0.000 -6.511) 8.309 3.926 ( -2.714 0.000 -2.305) 3.560 3.967 ( -0.724 0.000 -5.342) 5.391 4.035 ( -5.358 0.000 -5.275) 7.519 4.049 ( -5.461 0.000 -4.730) 7.225 4.090 ( -7.382 0.000 -6.145) 9.605 4.172 ( -1.760 0.000 -0.719) 1.901 4.218 ( -1.682 0.000 -1.597) 2.319 4.270 ( 3.554 0.000 -1.874) 4.018 4.283 ( -0.070 0.000 -3.235) 3.236 4.345 ( 2.529 0.000 -3.558) 4.365 4.409 ( -1.887 0.000 3.362) 3.855 4.460 ( -0.177 -0.000 -0.013) 0.177 4.482 ( -2.042 0.000 -0.022) 2.042 4.593 ( 0.539 0.000 0.937) 1.081 4.619 ( 1.766 0.000 2.735) 3.255 4.700 ( 1.271 0.000 5.584) 5.726 4.776 ( -0.811 0.000 -3.388) 3.484 4.819 ( 0.276 0.000 2.068) 2.086 4.846 ( 1.762 0.000 2.733) 3.252 4.930 ( 1.034 0.000 1.759) 2.040 4.981 ( -0.844 0.000 0.624) 1.050 4.996 ( 1.472 0.000 3.258) 3.575 5.103 ( 1.458 0.000 0.768) 1.648 5.118 ( 3.465 0.000 4.362) 5.570 5.216 ( 5.711 0.000 1.714) 5.963 5.284 ( 3.136 0.000 0.556) 3.185 5.335 ( 3.138 0.000 3.998) 5.082 5.417 ( 5.956 0.000 0.658) 5.992 5.463 ( -1.417 0.000 -0.650) 1.560 5.614 ( 2.416 0.000 3.622) 4.354 5.649 ( 1.180 0.000 1.695) 2.065 5.680 ( -3.865 0.000 3.129) 4.973 5.785 ( -0.249 0.000 2.898) 2.909 6.004 ( 0.059 0.000 4.526) 4.526 6.169 ( 3.430 0.000 -0.208) 3.437 6.520 ( -3.804 0.000 -4.359) 5.785 6.561 ( -7.950 0.000 -8.768) 11.836 ======================= Grid point 53 (29/75) ======================= q-point: ( 0.29 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -0.868 0.000 9.261) 9.301 1.043 ( 7.210 0.000 6.774) 9.893 1.289 ( 6.266 0.000 3.457) 7.157 1.429 ( 5.765 0.000 3.426) 6.706 1.449 ( 8.090 -0.000 6.261) 10.230 1.598 ( 1.430 0.000 4.942) 5.145 1.626 ( -5.932 0.000 6.051) 8.474 1.804 ( 0.023 0.000 -1.573) 1.574 1.855 ( 3.757 0.000 -4.222) 5.652 1.931 ( 6.138 0.000 0.567) 6.164 2.029 ( -0.543 0.000 -0.976) 1.117 2.152 ( 2.145 0.000 1.765) 2.778 2.223 ( 5.354 -0.000 9.866) 11.225 2.256 ( -1.330 0.000 0.464) 1.409 2.288 ( -2.975 0.000 -3.903) 4.908 2.321 ( 5.054 0.000 -3.358) 6.068 2.419 ( 2.513 0.000 3.568) 4.364 2.436 ( 2.460 0.000 0.758) 2.574 2.554 ( -2.054 0.000 1.767) 2.709 2.559 ( -1.074 0.000 0.809) 1.345 2.609 ( 2.909 0.000 3.375) 4.456 2.623 ( 1.530 -0.000 -1.612) 2.223 2.702 ( -3.154 0.000 3.629) 4.808 2.755 ( -3.475 0.000 -1.598) 3.824 2.772 ( 2.185 0.000 -0.487) 2.239 2.829 ( 1.148 0.000 0.750) 1.372 2.914 ( -1.031 0.000 -1.955) 2.210 2.944 ( 2.709 0.000 -3.191) 4.186 3.001 ( 0.357 0.000 0.945) 1.011 3.047 ( 0.353 0.000 2.369) 2.395 3.056 ( 5.639 0.000 2.167) 6.041 3.112 ( -0.355 0.000 -2.271) 2.298 3.149 ( -1.231 0.000 -5.734) 5.865 3.201 ( 0.046 0.000 1.053) 1.054 3.225 ( -0.363 0.000 0.410) 0.547 3.249 ( -6.012 -0.000 -1.300) 6.151 3.309 ( -2.808 0.000 2.183) 3.556 3.329 ( 2.494 0.000 3.336) 4.165 3.438 ( -7.689 0.000 -1.141) 7.773 3.498 ( -2.512 0.000 -0.162) 2.517 3.502 ( -0.845 -0.000 -0.775) 1.147 3.593 ( -4.593 0.000 -3.605) 5.839 3.622 ( -1.382 0.000 0.189) 1.395 3.635 ( -0.758 0.000 -3.567) 3.646 3.733 ( -2.653 0.000 -2.155) 3.418 3.765 ( -0.560 0.000 -3.781) 3.822 3.829 ( -4.546 0.000 -6.414) 7.862 3.857 ( -0.653 -0.000 1.440) 1.581 3.915 ( -1.827 0.000 -1.466) 2.343 3.971 ( -3.528 -0.000 0.307) 3.541 4.004 ( 4.482 0.000 -3.319) 5.577 4.014 ( 2.629 0.000 -1.377) 2.968 4.141 ( -1.559 0.000 0.025) 1.559 4.208 ( 0.561 0.000 -0.858) 1.025 4.260 ( 0.736 0.000 -3.362) 3.442 4.312 ( 1.434 0.000 -1.477) 2.059 4.344 ( 0.450 0.000 -2.243) 2.288 4.387 ( -1.916 0.000 4.375) 4.776 4.483 ( 2.853 -0.000 -2.129) 3.560 4.505 ( 3.997 0.000 -2.206) 4.565 4.623 ( 1.981 0.000 0.357) 2.013 4.671 ( 2.310 0.000 0.605) 2.388 4.720 ( -2.246 0.000 2.996) 3.744 4.755 ( 0.262 0.000 -1.836) 1.854 4.825 ( -0.494 0.000 0.858) 0.990 4.877 ( 0.773 0.000 0.123) 0.783 4.951 ( -0.106 -0.000 2.160) 2.163 4.971 ( 0.014 0.000 -0.248) 0.248 5.040 ( 1.318 0.000 2.657) 2.966 5.110 ( -0.682 0.000 -0.504) 0.848 5.178 ( 0.462 0.000 2.946) 2.982 5.292 ( 2.185 0.000 -0.254) 2.199 5.347 ( 2.640 0.000 -1.305) 2.945 5.404 ( 1.859 0.000 1.709) 2.526 5.427 ( -0.667 0.000 -1.588) 1.722 5.510 ( 3.911 0.000 -1.111) 4.065 5.587 ( -6.426 0.000 4.533) 7.864 5.677 ( 0.155 0.000 2.065) 2.071 5.697 ( 1.709 0.000 3.028) 3.477 5.790 ( -0.522 0.000 2.160) 2.223 6.042 ( 1.178 0.000 4.786) 4.929 6.220 ( 2.393 0.000 0.729) 2.502 6.340 ( -9.783 0.000 -7.803) 12.514 6.414 ( -3.897 0.000 -6.178) 7.304 ======================= Grid point 55 (30/75) ======================= q-point: ( 0.43 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -1.966 0.000 6.896) 7.171 1.191 ( 3.367 0.000 4.896) 5.942 1.280 ( -5.216 0.000 -0.020) 5.217 1.431 ( -8.061 0.000 2.238) 8.366 1.507 ( -0.729 0.000 -3.733) 3.804 1.655 ( -3.146 0.000 -4.040) 5.120 1.668 ( 3.795 -0.000 2.454) 4.519 1.762 ( 3.313 0.000 2.810) 4.344 1.862 ( -0.464 0.000 -5.662) 5.681 1.989 ( 1.427 0.000 -2.679) 3.036 2.008 ( 0.544 0.000 -0.675) 0.866 2.133 ( -5.612 0.000 -6.927) 8.915 2.199 ( 0.364 0.000 -3.129) 3.150 2.238 ( 2.632 0.000 -1.422) 2.992 2.339 ( -1.321 0.000 -0.759) 1.523 2.407 ( -1.932 0.000 -3.514) 4.010 2.418 ( -3.862 0.000 0.276) 3.872 2.421 ( 6.849 -0.000 -6.067) 9.150 2.511 ( -3.125 0.000 -2.002) 3.711 2.557 ( 0.542 0.000 1.051) 1.183 2.595 ( -2.358 0.000 1.115) 2.608 2.605 ( -2.919 -0.000 -3.682) 4.699 2.707 ( -0.292 0.000 1.333) 1.365 2.780 ( 6.285 -0.000 0.156) 6.287 2.783 ( 0.630 0.000 -3.146) 3.208 2.885 ( 4.069 0.000 3.529) 5.387 2.924 ( -3.504 0.000 -1.741) 3.913 2.930 ( -1.234 0.000 -6.189) 6.310 3.007 ( 1.149 -0.000 4.334) 4.484 3.054 ( -5.191 0.000 0.164) 5.194 3.086 ( -2.353 0.000 -2.707) 3.587 3.097 ( -1.896 0.000 2.528) 3.160 3.132 ( 3.008 0.000 3.083) 4.307 3.164 ( -0.988 0.000 0.602) 1.157 3.196 ( 2.241 0.000 2.742) 3.541 3.248 ( 1.228 0.000 1.855) 2.225 3.325 ( -0.928 0.000 7.674) 7.730 3.397 ( -4.731 -0.000 -2.144) 5.194 3.408 ( 1.209 0.000 7.434) 7.532 3.461 ( -0.757 0.000 0.306) 0.816 3.474 ( 0.506 0.000 5.857) 5.879 3.507 ( 5.611 0.000 7.193) 9.122 3.622 ( 0.324 0.000 2.131) 2.156 3.676 ( 2.539 -0.000 0.855) 2.679 3.732 ( -0.604 0.000 1.346) 1.475 3.748 ( 1.176 0.000 0.279) 1.208 3.774 ( 3.296 -0.000 1.970) 3.840 3.841 ( 0.023 -0.000 0.418) 0.419 3.913 ( -0.064 0.000 1.598) 1.599 3.944 ( -0.195 0.000 3.269) 3.275 4.062 ( 3.211 -0.000 -1.856) 3.709 4.064 ( 2.284 0.000 -0.942) 2.471 4.140 ( 1.784 0.000 0.919) 2.007 4.202 ( -0.799 0.000 -1.310) 1.535 4.270 ( 2.247 0.000 -1.494) 2.698 4.313 ( 0.139 0.000 -0.713) 0.727 4.370 ( 4.255 -0.000 -4.095) 5.905 4.402 ( -0.101 0.000 4.642) 4.643 4.529 ( 3.775 -0.000 -3.392) 5.075 4.554 ( 2.188 0.000 -1.756) 2.805 4.650 ( -4.477 -0.000 0.459) 4.501 4.650 ( 0.297 0.000 0.329) 0.443 4.713 ( 0.480 0.000 -1.446) 1.524 4.754 ( 0.252 0.000 -0.181) 0.310 4.810 ( -1.365 0.000 -0.091) 1.368 4.885 ( 1.135 0.000 -2.779) 3.002 4.954 ( -0.952 0.000 1.657) 1.911 4.986 ( 1.774 0.000 -0.297) 1.798 5.065 ( -0.976 0.000 2.173) 2.382 5.068 ( -2.895 0.000 -2.229) 3.653 5.180 ( -0.208 0.000 -2.232) 2.241 5.304 ( -0.345 0.000 -1.076) 1.130 5.336 ( -1.524 0.000 -1.114) 1.888 5.412 ( -0.988 0.000 -1.912) 2.152 5.419 ( -1.089 -0.000 -2.595) 2.815 5.520 ( -1.917 -0.000 3.028) 3.584 5.542 ( 1.252 0.000 -2.420) 2.724 5.670 ( -2.116 0.000 1.328) 2.498 5.728 ( -0.802 0.000 4.200) 4.276 5.797 ( -0.625 0.000 2.156) 2.244 6.081 ( -4.827 0.000 -1.470) 5.046 6.163 ( 1.559 0.000 -3.186) 3.547 6.227 ( -3.435 0.000 -3.441) 4.863 6.352 ( 3.398 0.000 -3.793) 5.092 ======================= Grid point 57 (31/75) ======================= q-point: (-0.43 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -9.521 0.000 4.160) 10.390 1.124 ( -11.283 0.000 0.290) 11.287 1.174 ( -5.659 0.000 -7.807) 9.643 1.386 ( -6.699 -0.000 -5.215) 8.490 1.389 ( 1.070 0.000 0.517) 1.188 1.420 ( -13.794 0.000 -8.912) 16.422 1.625 ( -5.900 0.000 -3.443) 6.831 1.836 ( -1.339 0.000 -5.711) 5.866 1.876 ( 2.137 0.000 -0.642) 2.231 1.957 ( -2.830 0.000 -4.161) 5.032 2.024 ( 1.073 -0.000 -1.649) 1.967 2.033 ( 1.902 0.000 -0.139) 1.907 2.183 ( -4.854 0.000 0.012) 4.854 2.251 ( 1.704 0.000 -5.118) 5.394 2.279 ( -2.302 0.000 -1.305) 2.646 2.328 ( -0.238 0.000 -3.940) 3.948 2.359 ( -0.081 0.000 0.424) 0.431 2.423 ( -2.911 0.000 -4.473) 5.337 2.504 ( -1.412 0.000 -2.172) 2.590 2.534 ( -1.895 0.000 -2.406) 3.063 2.570 ( 3.931 0.000 -2.214) 4.512 2.588 ( -0.636 -0.000 -0.662) 0.918 2.683 ( -3.698 -0.000 -0.301) 3.710 2.735 ( -0.800 0.000 -5.456) 5.514 2.822 ( 0.601 -0.000 -1.135) 1.284 2.831 ( -4.159 0.000 -0.284) 4.168 2.902 ( 0.906 0.000 -2.341) 2.510 2.944 ( -2.103 0.000 -2.382) 3.178 2.967 ( -0.999 -0.000 2.435) 2.632 2.975 ( -1.250 0.000 -0.389) 1.309 3.070 ( 0.681 0.000 1.390) 1.548 3.130 ( -0.044 0.000 0.720) 0.721 3.149 ( -0.172 0.000 0.059) 0.182 3.205 ( -0.460 0.000 1.315) 1.393 3.246 ( 0.861 0.000 6.614) 6.670 3.279 ( -0.841 0.000 3.267) 3.374 3.348 ( 2.603 0.000 -0.380) 2.631 3.380 ( 2.462 -0.000 5.790) 6.291 3.479 ( 1.786 -0.000 5.633) 5.910 3.488 ( 0.791 0.000 5.016) 5.078 3.573 ( 3.157 0.000 5.062) 5.966 3.629 ( 2.768 0.000 2.770) 3.916 3.706 ( 5.120 0.000 7.215) 8.847 3.707 ( 1.348 -0.000 0.397) 1.405 3.795 ( 2.774 0.000 3.033) 4.110 3.838 ( 6.816 0.000 6.669) 9.536 3.886 ( 1.806 -0.000 1.678) 2.465 3.886 ( 5.816 0.000 6.676) 8.854 3.935 ( 1.788 0.000 7.349) 7.563 4.028 ( 4.496 0.000 8.812) 9.892 4.092 ( 1.522 0.000 1.381) 2.056 4.106 ( 2.324 0.000 -0.505) 2.378 4.181 ( 0.220 0.000 -0.005) 0.220 4.199 ( 3.030 -0.000 3.178) 4.391 4.315 ( 0.777 0.000 -0.026) 0.778 4.328 ( 4.395 0.000 -0.268) 4.404 4.418 ( 3.011 0.000 -4.658) 5.546 4.433 ( 0.280 0.000 4.316) 4.325 4.544 ( -3.196 0.000 -0.115) 3.198 4.554 ( 0.270 0.000 -2.174) 2.191 4.577 ( -2.154 0.000 -1.014) 2.381 4.650 ( 0.050 0.000 0.232) 0.238 4.688 ( -1.214 0.000 -1.968) 2.313 4.752 ( -1.241 0.000 0.987) 1.586 4.780 ( -1.149 0.000 -2.448) 2.704 4.887 ( 1.582 0.000 -4.222) 4.509 4.939 ( -1.191 0.000 0.266) 1.220 4.990 ( -2.951 0.000 -2.669) 3.978 5.016 ( 1.189 0.000 -1.084) 1.609 5.018 ( -5.236 -0.000 1.546) 5.460 5.129 ( -2.882 0.000 -5.804) 6.480 5.265 ( -2.040 0.000 -4.287) 4.748 5.325 ( 0.837 0.000 0.369) 0.914 5.343 ( -4.007 0.000 -5.241) 6.598 5.358 ( -2.004 0.000 -4.430) 4.863 5.541 ( 0.049 0.000 -2.887) 2.887 5.541 ( 1.673 -0.000 1.061) 1.982 5.615 ( -4.297 0.000 0.719) 4.356 5.727 ( -2.255 0.000 4.570) 5.096 5.776 ( -2.625 0.000 -0.375) 2.652 5.947 ( -2.942 0.000 -3.774) 4.786 6.104 ( -4.120 0.000 -8.203) 9.179 6.288 ( 9.290 0.000 0.074) 9.290 6.441 ( 6.255 0.000 -0.621) 6.286 ======================= Grid point 59 (32/75) ======================= q-point: (-0.29 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( -7.644 0.000 2.423) 8.018 0.887 ( -12.658 0.000 -4.008) 13.277 0.945 ( -10.902 -0.000 -8.804) 14.013 1.064 ( -16.062 0.000 -7.053) 17.542 1.255 ( -4.058 0.000 -4.332) 5.936 1.427 ( 2.494 0.000 -2.367) 3.438 1.511 ( -4.788 0.000 -1.242) 4.946 1.733 ( -3.674 0.000 -3.978) 5.415 1.846 ( -5.284 0.000 1.518) 5.497 1.876 ( -0.962 0.000 -5.625) 5.706 2.003 ( -9.986 -0.000 2.408) 10.272 2.040 ( -3.310 0.000 3.903) 5.118 2.080 ( -1.134 0.000 -0.447) 1.219 2.210 ( -7.316 0.000 -3.500) 8.110 2.241 ( 0.460 0.000 -0.045) 0.462 2.310 ( 0.977 0.000 -1.050) 1.434 2.375 ( 3.941 0.000 -1.709) 4.295 2.435 ( 3.614 0.000 -0.764) 3.694 2.484 ( -1.544 0.000 -3.252) 3.600 2.492 ( 2.650 -0.000 0.154) 2.655 2.548 ( -1.308 0.000 1.962) 2.358 2.605 ( 0.443 0.000 -1.860) 1.912 2.686 ( 3.964 0.000 -2.579) 4.729 2.728 ( 1.884 0.000 -4.050) 4.467 2.772 ( -1.547 -0.000 1.336) 2.044 2.829 ( 1.748 0.000 -4.805) 5.113 2.891 ( -1.533 -0.000 1.712) 2.298 2.914 ( -1.238 0.000 -0.709) 1.427 2.964 ( 0.817 0.000 0.125) 0.826 2.973 ( 1.433 0.000 -0.509) 1.521 3.067 ( -1.979 0.000 0.420) 2.023 3.080 ( -3.507 0.000 -1.865) 3.972 3.156 ( 2.148 0.000 0.020) 2.149 3.173 ( -2.479 0.000 -0.895) 2.636 3.294 ( 0.123 0.000 4.155) 4.156 3.331 ( 2.086 0.000 2.439) 3.209 3.411 ( 3.140 0.000 0.874) 3.259 3.438 ( 0.965 0.000 2.502) 2.682 3.510 ( -0.515 0.000 2.621) 2.671 3.524 ( 0.760 -0.000 0.650) 1.000 3.634 ( 0.886 0.000 2.537) 2.687 3.691 ( 1.362 0.000 0.869) 1.616 3.759 ( 3.587 0.000 1.982) 4.099 3.795 ( 1.564 0.000 3.329) 3.678 3.863 ( -0.136 0.000 2.649) 2.652 3.925 ( 2.066 0.000 2.976) 3.623 3.947 ( 3.913 0.000 4.574) 6.019 4.039 ( 2.930 0.000 5.931) 6.615 4.040 ( 0.749 -0.000 3.942) 4.012 4.103 ( 1.631 0.000 -1.116) 1.976 4.167 ( 3.086 0.000 6.769) 7.439 4.193 ( 5.618 0.000 10.021) 11.489 4.275 ( 6.747 0.000 7.357) 9.983 4.294 ( 3.993 -0.000 4.424) 5.960 4.363 ( 3.251 0.000 2.263) 3.961 4.384 ( -0.085 0.000 -4.198) 4.199 4.404 ( 0.058 0.000 1.747) 1.748 4.451 ( -1.109 0.000 1.337) 1.737 4.507 ( -0.827 -0.000 2.310) 2.454 4.522 ( -2.448 -0.000 1.044) 2.662 4.525 ( -2.503 0.000 -2.074) 3.250 4.636 ( -2.166 0.000 -0.213) 2.176 4.658 ( -1.569 0.000 -2.252) 2.745 4.731 ( -0.823 0.000 -0.232) 0.855 4.748 ( 0.846 0.000 -3.461) 3.563 4.879 ( -0.108 -0.000 -3.046) 3.048 4.898 ( -5.635 0.000 1.993) 5.977 4.934 ( -1.589 0.000 -1.231) 2.011 4.952 ( 0.336 0.000 -0.653) 0.735 5.010 ( -0.524 0.000 -3.208) 3.250 5.038 ( -2.013 0.000 -5.377) 5.742 5.179 ( -3.286 0.000 -7.720) 8.390 5.220 ( -4.481 0.000 -4.457) 6.320 5.287 ( -2.277 0.000 -3.820) 4.447 5.356 ( 1.481 0.000 -0.523) 1.571 5.444 ( -6.639 0.000 -4.179) 7.845 5.580 ( 1.833 0.000 0.610) 1.932 5.595 ( 1.048 0.000 0.469) 1.148 5.707 ( -2.536 0.000 3.616) 4.416 5.722 ( -1.879 0.000 -0.996) 2.126 5.929 ( 1.032 0.000 -0.335) 1.085 6.007 ( -0.115 0.000 -8.285) 8.286 6.476 ( 11.467 0.000 -1.901) 11.624 6.547 ( 5.276 0.000 -0.425) 5.294 ======================= Grid point 61 (33/75) ======================= q-point: (-0.14 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -5.650 0.000 1.884) 5.955 0.727 ( -4.458 -0.000 5.607) 7.164 0.813 ( 1.699 0.000 -1.455) 2.237 0.837 ( -6.928 -0.000 2.166) 7.258 1.190 ( -2.367 0.000 0.944) 2.548 1.438 ( -3.966 0.000 4.668) 6.125 1.467 ( 3.560 0.000 -1.858) 4.016 1.680 ( -0.697 0.000 0.613) 0.928 1.737 ( -7.426 -0.000 6.317) 9.749 1.859 ( 1.608 0.000 -5.053) 5.303 1.865 ( -4.249 0.000 -0.689) 4.304 1.958 ( -6.651 0.000 8.153) 10.522 2.039 ( -2.486 0.000 0.971) 2.669 2.099 ( -3.075 0.000 -0.079) 3.076 2.298 ( -1.007 0.000 -1.380) 1.708 2.304 ( 3.606 0.000 0.824) 3.699 2.410 ( 1.247 0.000 -2.672) 2.948 2.452 ( 0.821 0.000 0.335) 0.887 2.512 ( 3.552 0.000 -1.326) 3.791 2.541 ( 2.151 0.000 -0.352) 2.179 2.573 ( 0.815 0.000 3.122) 3.226 2.618 ( 2.600 0.000 -0.883) 2.745 2.701 ( -3.218 -0.000 0.695) 3.292 2.702 ( -3.493 0.000 1.076) 3.655 2.776 ( 0.211 0.000 1.546) 1.560 2.833 ( 3.714 0.000 -5.613) 6.731 2.902 ( 0.855 -0.000 -0.043) 0.856 2.909 ( 1.746 0.000 -3.500) 3.911 2.988 ( 1.524 0.000 -0.167) 1.533 3.006 ( -2.229 0.000 -1.682) 2.792 3.027 ( 4.690 0.000 -0.963) 4.788 3.039 ( -0.251 0.000 -0.396) 0.469 3.145 ( 0.293 0.000 -0.587) 0.656 3.195 ( 0.926 0.000 -0.811) 1.231 3.310 ( 0.786 0.000 2.377) 2.504 3.337 ( -1.536 0.000 -0.192) 1.547 3.435 ( -3.251 0.000 0.510) 3.291 3.436 ( -0.235 -0.000 -0.376) 0.443 3.536 ( 0.310 -0.000 0.751) 0.813 3.542 ( 2.122 0.000 0.181) 2.130 3.650 ( 0.687 0.000 -0.858) 1.099 3.690 ( 0.357 0.000 -1.834) 1.869 3.795 ( -2.678 0.000 1.479) 3.059 3.803 ( -0.733 0.000 0.152) 0.749 3.882 ( -1.271 0.000 4.130) 4.321 3.965 ( -0.276 0.000 2.310) 2.327 4.004 ( 2.320 0.000 -4.778) 5.312 4.032 ( -1.137 0.000 2.365) 2.624 4.110 ( -0.110 0.000 5.403) 5.404 4.133 ( 1.762 0.000 -0.097) 1.764 4.165 ( -3.112 0.000 -4.683) 5.623 4.271 ( -1.649 0.000 -3.805) 4.147 4.329 ( -1.500 0.000 -2.169) 2.637 4.384 ( -2.897 -0.000 -3.987) 4.928 4.387 ( -2.942 0.000 1.389) 3.254 4.420 ( 1.533 -0.000 5.469) 5.680 4.421 ( -0.821 0.000 1.925) 2.093 4.443 ( -2.703 0.000 2.680) 3.806 4.475 ( 2.445 0.000 5.607) 6.117 4.504 ( 0.731 0.000 2.156) 2.276 4.528 ( 1.006 0.000 1.531) 1.832 4.575 ( -4.147 0.000 -1.165) 4.308 4.626 ( 0.715 0.000 0.212) 0.746 4.729 ( 0.793 0.000 0.905) 1.203 4.766 ( 1.398 0.000 -0.425) 1.462 4.827 ( -1.738 0.000 -3.712) 4.098 4.850 ( -0.033 0.000 4.199) 4.199 4.906 ( -0.785 0.000 -1.435) 1.636 4.959 ( -0.996 0.000 -2.701) 2.878 5.001 ( 1.965 0.000 1.876) 2.717 5.006 ( 0.920 0.000 -2.754) 2.903 5.093 ( 0.189 0.000 -3.385) 3.390 5.174 ( 0.504 0.000 1.200) 1.301 5.238 ( -0.776 0.000 -1.254) 1.475 5.318 ( -3.816 0.000 -2.257) 4.433 5.381 ( 1.667 0.000 1.374) 2.160 5.600 ( -0.478 0.000 -0.110) 0.490 5.615 ( 0.525 0.000 0.240) 0.578 5.698 ( -0.491 0.000 3.773) 3.805 5.712 ( 0.864 0.000 1.371) 1.621 5.953 ( 1.074 0.000 0.881) 1.389 6.006 ( 4.665 0.000 -5.660) 7.335 6.613 ( 2.170 0.000 -1.461) 2.616 6.654 ( 9.497 0.000 -5.674) 11.063 ======================= Grid point 70 (34/75) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( -5.412 0.000 16.965) 17.807 0.769 ( -10.701 0.000 18.982) 21.790 1.135 ( 12.826 0.000 18.921) 22.858 1.373 ( 5.362 0.000 9.487) 10.897 1.470 ( 1.503 0.000 4.992) 5.213 1.543 ( 2.528 0.000 3.000) 3.923 1.600 ( 3.428 0.000 4.063) 5.316 1.696 ( 3.378 0.000 2.009) 3.930 1.708 ( 4.735 0.000 4.204) 6.332 1.861 ( 5.014 0.000 -5.634) 7.542 1.864 ( 3.674 0.000 11.473) 12.047 2.031 ( -1.434 0.000 -0.262) 1.458 2.100 ( -1.490 0.000 5.714) 5.905 2.293 ( 0.752 0.000 -0.629) 0.980 2.308 ( 3.478 0.000 -3.304) 4.797 2.343 ( 3.199 0.000 1.398) 3.491 2.351 ( 2.800 0.000 2.551) 3.788 2.486 ( 0.933 0.000 -0.815) 1.239 2.511 ( -1.097 0.000 3.973) 4.122 2.592 ( 5.209 0.000 0.968) 5.298 2.626 ( 1.702 0.000 0.497) 1.773 2.633 ( 2.195 0.000 -2.357) 3.221 2.667 ( 4.459 0.000 2.431) 5.079 2.739 ( 0.651 0.000 2.169) 2.265 2.814 ( -0.253 0.000 -1.422) 1.444 2.905 ( -3.763 0.000 -1.924) 4.227 2.946 ( -1.952 0.000 1.645) 2.552 2.966 ( 1.902 0.000 -1.274) 2.289 3.007 ( 0.207 0.000 -4.446) 4.451 3.015 ( -0.439 0.000 -0.945) 1.042 3.099 ( -1.015 0.000 0.884) 1.346 3.111 ( 0.701 0.000 -4.852) 4.903 3.182 ( -2.901 0.000 0.485) 2.941 3.193 ( -4.534 0.000 2.915) 5.390 3.275 ( 3.435 0.000 -1.302) 3.674 3.277 ( -3.125 0.000 -3.558) 4.735 3.355 ( -0.998 0.000 -2.010) 2.244 3.404 ( -5.285 0.000 -4.490) 6.935 3.447 ( -0.855 0.000 0.485) 0.983 3.460 ( -0.728 0.000 3.373) 3.450 3.557 ( -7.821 0.000 -2.076) 8.092 3.579 ( -2.231 0.000 -0.233) 2.243 3.701 ( -4.821 0.000 -5.447) 7.274 3.732 ( -9.801 0.000 -3.584) 10.436 3.777 ( -1.196 0.000 -1.798) 2.160 3.780 ( -2.420 0.000 -2.247) 3.303 3.868 ( 0.845 0.000 -2.496) 2.635 3.906 ( -3.395 0.000 -4.877) 5.942 3.973 ( -3.371 0.000 -4.007) 5.236 3.986 ( 0.279 0.000 -2.102) 2.120 4.079 ( -2.026 0.000 -5.912) 6.250 4.143 ( -4.619 0.000 -6.507) 7.980 4.186 ( 2.398 0.000 -2.825) 3.705 4.195 ( -1.716 0.000 -3.430) 3.836 4.305 ( -1.489 0.000 -2.251) 2.699 4.338 ( 2.372 0.000 -2.960) 3.793 4.381 ( 1.265 0.000 -1.102) 1.678 4.407 ( -1.180 0.000 -1.644) 2.024 4.433 ( 1.248 0.000 -2.112) 2.453 4.524 ( 2.855 0.000 -1.181) 3.090 4.610 ( 1.643 0.000 1.245) 2.061 4.669 ( 1.593 0.000 1.868) 2.454 4.677 ( 1.584 0.000 -2.034) 2.578 4.708 ( -0.658 0.000 1.537) 1.672 4.830 ( -0.810 0.000 4.052) 4.132 4.839 ( 0.441 0.000 1.640) 1.698 4.909 ( -0.030 0.000 2.808) 2.808 4.974 ( -2.912 0.000 2.487) 3.830 5.018 ( 1.763 0.000 4.912) 5.218 5.067 ( 0.711 0.000 2.896) 2.982 5.119 ( 3.915 0.000 2.711) 4.762 5.221 ( 0.510 0.000 4.043) 4.075 5.275 ( 0.154 0.000 0.461) 0.486 5.356 ( 6.623 0.000 2.094) 6.946 5.365 ( 2.262 0.000 2.157) 3.126 5.486 ( -0.851 0.000 -2.344) 2.494 5.611 ( 1.384 0.000 2.438) 2.804 5.633 ( 0.341 0.000 0.090) 0.353 5.667 ( 0.411 0.000 1.843) 1.888 5.972 ( 2.631 0.000 10.294) 10.625 6.032 ( 3.599 0.000 2.123) 4.178 6.095 ( -0.406 0.000 -5.948) 5.962 6.364 ( 0.527 0.000 -3.876) 3.911 6.515 ( -2.958 0.000 -4.675) 5.533 ======================= Grid point 71 (35/75) ======================= q-point: ( 0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 4.130 0.000 14.008) 14.604 0.783 ( 0.915 0.000 15.593) 15.620 1.417 ( 7.767 0.000 3.582) 8.553 1.480 ( 0.760 0.000 4.346) 4.412 1.519 ( 2.737 0.000 -1.048) 2.931 1.609 ( 3.580 0.000 -0.099) 3.582 1.740 ( 4.641 0.000 7.678) 8.972 1.789 ( 5.784 0.000 5.689) 8.113 1.793 ( 1.497 0.000 0.517) 1.584 1.898 ( 3.427 0.000 -5.607) 6.571 2.016 ( 4.460 0.000 8.893) 9.949 2.022 ( 0.159 0.000 1.911) 1.918 2.101 ( -2.119 0.000 6.978) 7.293 2.267 ( -2.644 0.000 -0.825) 2.769 2.286 ( -2.100 0.000 -4.958) 5.384 2.395 ( 0.052 0.000 0.727) 0.729 2.414 ( 1.650 0.000 -0.979) 1.919 2.486 ( 0.076 0.000 0.879) 0.882 2.499 ( -1.339 0.000 -0.510) 1.432 2.634 ( -2.542 0.000 -2.483) 3.554 2.673 ( 2.585 0.000 2.014) 3.277 2.681 ( 4.625 0.000 -1.010) 4.734 2.750 ( -0.303 0.000 -1.961) 1.984 2.767 ( 1.900 0.000 -0.153) 1.906 2.821 ( 2.910 0.000 2.382) 3.760 2.859 ( -3.206 0.000 -1.683) 3.620 2.879 ( 2.086 0.000 0.081) 2.088 2.959 ( 0.398 0.000 -2.961) 2.988 2.994 ( -3.053 0.000 -5.556) 6.340 3.059 ( 1.484 0.000 2.882) 3.241 3.064 ( -0.512 0.000 1.543) 1.626 3.118 ( 0.725 0.000 0.504) 0.883 3.127 ( -2.608 0.000 -0.541) 2.663 3.177 ( 2.958 0.000 3.784) 4.803 3.237 ( -1.349 0.000 -2.148) 2.537 3.279 ( -2.031 0.000 -7.947) 8.202 3.281 ( -3.286 0.000 0.258) 3.296 3.324 ( 1.020 0.000 0.005) 1.020 3.419 ( -3.283 0.000 -0.854) 3.392 3.419 ( -3.154 0.000 2.117) 3.799 3.525 ( 3.054 0.000 5.057) 5.907 3.534 ( -0.351 0.000 -3.927) 3.942 3.600 ( -3.970 0.000 3.145) 5.065 3.613 ( -0.861 0.000 -2.503) 2.647 3.719 ( -3.195 0.000 -0.789) 3.291 3.750 ( -1.523 0.000 -1.678) 2.266 3.836 ( -2.581 0.000 -2.761) 3.779 3.870 ( -1.959 0.000 -0.272) 1.978 3.870 ( -0.845 0.000 -2.357) 2.504 3.939 ( -0.581 0.000 -2.353) 2.424 4.040 ( -0.331 0.000 -3.714) 3.729 4.061 ( -2.947 0.000 0.360) 2.969 4.196 ( -0.461 0.000 -1.535) 1.603 4.197 ( 1.373 0.000 -0.486) 1.457 4.276 ( -0.870 0.000 2.546) 2.690 4.365 ( 1.027 0.000 -1.917) 2.175 4.389 ( 2.445 0.000 -4.607) 5.215 4.404 ( 2.367 0.000 -1.246) 2.675 4.480 ( 3.701 0.000 -3.046) 4.793 4.546 ( 0.511 0.000 -1.281) 1.380 4.625 ( 0.397 0.000 -1.161) 1.227 4.676 ( -2.224 0.000 -0.330) 2.248 4.689 ( -0.178 0.000 -1.314) 1.326 4.721 ( 1.826 0.000 2.356) 2.981 4.834 ( -1.692 0.000 1.365) 2.174 4.850 ( 1.682 0.000 1.822) 2.480 4.915 ( -4.669 0.000 1.939) 5.055 4.936 ( 1.104 0.000 2.085) 2.359 5.066 ( 0.749 0.000 3.394) 3.476 5.092 ( 0.128 0.000 1.046) 1.054 5.186 ( 1.912 0.000 0.364) 1.947 5.230 ( 0.521 0.000 -0.354) 0.630 5.298 ( 0.740 0.000 1.846) 1.988 5.412 ( 1.977 0.000 -0.728) 2.107 5.440 ( -1.513 0.000 -3.033) 3.390 5.483 ( 3.909 0.000 1.929) 4.359 5.640 ( 0.950 0.000 -0.003) 0.950 5.651 ( 1.265 0.000 1.173) 1.725 5.694 ( 0.573 0.000 4.043) 4.083 6.010 ( -3.913 0.000 -6.760) 7.811 6.044 ( -1.695 0.000 8.304) 8.475 6.084 ( 1.819 0.000 0.723) 1.957 6.325 ( -2.255 0.000 -2.791) 3.588 6.430 ( -3.175 0.000 -4.910) 5.847 ======================= Grid point 72 (36/75) ======================= q-point: ( 0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 8.247 0.000 7.828) 11.371 0.959 ( 8.282 0.000 8.477) 11.851 1.450 ( -4.904 0.000 -2.065) 5.321 1.471 ( -0.962 0.000 -2.150) 2.355 1.584 ( 4.755 0.000 -0.427) 4.774 1.620 ( -0.289 0.000 -6.510) 6.517 1.798 ( -0.429 0.000 -0.833) 0.937 1.805 ( 0.173 0.000 0.748) 0.768 1.868 ( -2.666 0.000 0.425) 2.699 1.908 ( 0.001 0.000 -1.530) 1.530 2.036 ( -4.026 0.000 -2.581) 4.782 2.040 ( -1.371 0.000 1.041) 1.721 2.160 ( 3.713 0.000 5.456) 6.600 2.199 ( -1.823 0.000 -5.395) 5.694 2.278 ( 2.110 0.000 4.216) 4.715 2.336 ( -3.695 0.000 -6.007) 7.052 2.392 ( -1.011 0.000 -3.126) 3.286 2.484 ( 1.056 0.000 -3.617) 3.768 2.495 ( -3.089 0.000 -2.161) 3.770 2.576 ( -0.528 0.000 -1.161) 1.275 2.578 ( -3.853 0.000 -3.196) 5.006 2.689 ( -3.669 0.000 -4.120) 5.517 2.761 ( -1.452 0.000 0.130) 1.458 2.806 ( 5.151 0.000 -0.372) 5.164 2.833 ( -3.068 0.000 -2.252) 3.806 2.850 ( 2.158 0.000 1.459) 2.605 2.886 ( -0.596 0.000 -6.510) 6.537 2.969 ( -0.819 0.000 -1.224) 1.473 2.985 ( 0.582 0.000 4.001) 4.043 3.047 ( -1.235 0.000 0.471) 1.322 3.048 ( -2.916 0.000 2.908) 4.118 3.121 ( 1.408 0.000 5.575) 5.750 3.158 ( -0.607 0.000 -3.075) 3.134 3.162 ( 0.007 0.000 -5.330) 5.330 3.205 ( 3.504 0.000 2.476) 4.291 3.302 ( 2.016 0.000 2.810) 3.459 3.330 ( 3.432 0.000 3.205) 4.696 3.355 ( 4.573 0.000 3.352) 5.670 3.392 ( -0.442 0.000 4.053) 4.077 3.451 ( 3.050 0.000 2.021) 3.658 3.546 ( 3.955 0.000 -0.331) 3.969 3.592 ( 1.322 0.000 4.752) 4.933 3.600 ( -1.047 0.000 1.943) 2.207 3.633 ( 1.079 0.000 3.577) 3.736 3.701 ( 0.768 0.000 4.419) 4.485 3.729 ( 1.195 0.000 4.009) 4.183 3.806 ( 2.645 0.000 1.437) 3.010 3.820 ( -0.627 0.000 -1.896) 1.997 3.909 ( 2.617 0.000 5.351) 5.957 3.973 ( 1.943 0.000 1.334) 2.356 4.013 ( -3.372 0.000 3.543) 4.891 4.022 ( 0.634 0.000 -2.562) 2.639 4.161 ( -0.882 0.000 0.887) 1.251 4.217 ( -0.762 0.000 1.514) 1.696 4.275 ( -1.641 0.000 2.552) 3.034 4.380 ( 1.349 0.000 0.330) 1.389 4.404 ( 0.780 0.000 -1.917) 2.070 4.427 ( 0.393 0.000 -1.390) 1.444 4.520 ( 3.162 0.000 -2.924) 4.307 4.550 ( 2.169 0.000 -3.268) 3.922 4.617 ( 0.137 0.000 -2.955) 2.958 4.626 ( -2.240 0.000 -0.506) 2.297 4.680 ( 0.362 0.000 -2.152) 2.183 4.745 ( -0.927 0.000 1.712) 1.947 4.797 ( -2.753 0.000 -1.151) 2.984 4.847 ( -2.609 0.000 0.221) 2.618 4.875 ( -0.477 0.000 0.104) 0.488 4.959 ( -0.113 0.000 -0.375) 0.392 5.078 ( -1.874 0.000 0.145) 1.879 5.116 ( 2.650 0.000 2.767) 3.831 5.194 ( 0.863 0.000 -3.602) 3.704 5.245 ( 1.673 0.000 -2.458) 2.974 5.321 ( 0.525 0.000 2.061) 2.126 5.393 ( -0.616 0.000 -4.047) 4.093 5.417 ( 0.012 0.000 -3.604) 3.604 5.512 ( -1.226 0.000 1.695) 2.092 5.662 ( -0.552 0.000 0.186) 0.582 5.667 ( 0.972 0.000 -1.297) 1.621 5.735 ( 0.455 0.000 4.520) 4.543 5.886 ( -4.174 0.000 -6.688) 7.883 6.006 ( -6.182 0.000 2.839) 6.803 6.122 ( 1.622 0.000 -0.771) 1.796 6.265 ( -2.879 0.000 0.219) 2.888 6.341 ( -1.751 0.000 -6.110) 6.356 ======================= Grid point 73 (37/75) ======================= q-point: (-0.57 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 4.317 0.000 -1.728) 4.650 1.117 ( 3.083 0.000 -0.512) 3.125 1.297 ( -8.301 0.000 -3.291) 8.929 1.390 ( -4.945 0.000 -3.287) 5.938 1.567 ( -0.475 0.000 -5.623) 5.643 1.618 ( -7.683 0.000 -2.050) 7.952 1.688 ( 1.353 0.000 -3.900) 4.128 1.749 ( -8.509 0.000 2.732) 8.937 1.824 ( -2.638 0.000 -3.090) 4.063 1.888 ( 0.706 0.000 -5.806) 5.848 1.966 ( -2.448 0.000 -0.258) 2.461 1.974 ( -2.241 0.000 -3.747) 4.366 2.150 ( -5.987 0.000 -4.291) 7.365 2.184 ( 2.714 0.000 -3.461) 4.398 2.246 ( -2.035 0.000 -2.249) 3.033 2.279 ( 0.244 0.000 -4.235) 4.242 2.379 ( 1.233 0.000 -1.389) 1.857 2.442 ( -3.392 0.000 -1.822) 3.850 2.478 ( -0.836 0.000 2.531) 2.666 2.542 ( -2.432 0.000 -1.201) 2.712 2.547 ( -1.064 0.000 2.559) 2.771 2.662 ( 3.028 0.000 -3.196) 4.403 2.674 ( -4.480 0.000 -2.010) 4.910 2.778 ( -4.219 0.000 -1.155) 4.375 2.789 ( -3.988 0.000 -2.983) 4.981 2.871 ( -2.272 0.000 -3.770) 4.402 2.882 ( -0.285 0.000 2.126) 2.145 2.925 ( -1.284 0.000 0.814) 1.520 2.950 ( 0.700 0.000 -1.045) 1.258 2.980 ( 2.054 0.000 -1.702) 2.668 3.101 ( 3.407 0.000 -0.645) 3.468 3.159 ( 1.789 0.000 0.387) 1.830 3.182 ( 3.012 0.000 -3.562) 4.665 3.236 ( -1.078 0.000 1.389) 1.758 3.273 ( 6.220 0.000 8.521) 10.550 3.373 ( 3.288 0.000 1.172) 3.491 3.384 ( 0.537 0.000 3.591) 3.631 3.450 ( 2.754 0.000 1.679) 3.225 3.455 ( 2.783 0.000 3.663) 4.600 3.500 ( 0.683 0.000 0.275) 0.736 3.594 ( -0.151 0.000 4.673) 4.675 3.620 ( -0.688 0.000 0.336) 0.765 3.651 ( 6.713 0.000 1.870) 6.968 3.686 ( 4.029 0.000 5.211) 6.587 3.784 ( -0.979 0.000 4.428) 4.534 3.801 ( 3.830 0.000 6.191) 7.280 3.869 ( 3.938 0.000 6.275) 7.409 3.956 ( 5.106 0.000 10.524) 11.697 3.995 ( 0.415 0.000 6.089) 6.103 4.010 ( 5.524 0.000 6.007) 8.161 4.039 ( 3.824 0.000 2.619) 4.634 4.048 ( 3.914 0.000 2.265) 4.522 4.179 ( -0.299 0.000 4.459) 4.469 4.199 ( -2.005 0.000 3.619) 4.138 4.271 ( 0.425 0.000 2.418) 2.455 4.382 ( -2.507 0.000 2.702) 3.686 4.385 ( -1.794 0.000 1.893) 2.608 4.438 ( 2.461 0.000 -1.646) 2.960 4.542 ( -3.002 0.000 -2.235) 3.742 4.560 ( 0.739 0.000 -2.770) 2.867 4.591 ( 1.287 0.000 -1.761) 2.181 4.605 ( 1.937 0.000 -5.753) 6.071 4.681 ( 1.022 0.000 -3.167) 3.328 4.705 ( -2.641 0.000 -3.614) 4.476 4.740 ( -0.595 0.000 -2.206) 2.285 4.841 ( 1.250 0.000 0.804) 1.486 4.844 ( -3.031 0.000 2.452) 3.899 4.922 ( -1.760 0.000 -4.564) 4.891 5.035 ( -2.481 0.000 -0.656) 2.566 5.110 ( -2.383 0.000 -2.450) 3.417 5.218 ( 1.054 0.000 -2.652) 2.854 5.244 ( -0.250 0.000 -2.578) 2.590 5.317 ( -2.339 0.000 -1.941) 3.039 5.388 ( 3.222 0.000 -4.663) 5.668 5.393 ( 0.713 0.000 -2.802) 2.891 5.488 ( -1.930 0.000 0.301) 1.954 5.610 ( -3.387 0.000 -5.995) 6.886 5.632 ( -2.857 0.000 -0.170) 2.862 5.752 ( -1.611 0.000 3.333) 3.702 5.822 ( 0.339 0.000 -2.012) 2.041 5.888 ( -6.248 0.000 -0.419) 6.262 6.077 ( -4.001 0.000 -5.489) 6.792 6.235 ( -0.888 0.000 1.590) 1.821 6.351 ( 5.902 0.000 -3.221) 6.724 ======================= Grid point 74 (38/75) ======================= q-point: (-0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -14.488 0.000 -8.766) 16.933 1.066 ( -2.020 0.000 -8.012) 8.262 1.143 ( -9.636 0.000 3.783) 10.351 1.287 ( -5.858 0.000 -2.056) 6.209 1.504 ( -0.560 0.000 -3.309) 3.356 1.511 ( -5.587 0.000 -0.806) 5.645 1.618 ( -3.397 0.000 -0.174) 3.402 1.650 ( -5.221 0.000 -1.799) 5.522 1.762 ( -3.309 0.000 0.943) 3.440 1.848 ( 1.763 0.000 -7.447) 7.652 1.887 ( -7.668 0.000 2.976) 8.226 2.004 ( 6.048 0.000 -3.756) 7.120 2.087 ( 0.809 0.000 1.836) 2.006 2.156 ( -3.928 0.000 -3.439) 5.221 2.210 ( 0.603 0.000 0.265) 0.659 2.276 ( 2.043 0.000 -1.551) 2.565 2.363 ( -7.824 0.000 1.237) 7.921 2.407 ( -1.890 0.000 -3.686) 4.143 2.410 ( -0.010 0.000 -0.963) 0.963 2.482 ( -3.700 0.000 1.706) 4.074 2.514 ( -0.948 0.000 -0.786) 1.231 2.658 ( 0.666 0.000 0.631) 0.917 2.668 ( -1.207 0.000 -0.642) 1.367 2.725 ( -0.196 0.000 0.751) 0.776 2.729 ( 0.516 0.000 -4.540) 4.569 2.837 ( 2.298 0.000 -1.544) 2.769 2.882 ( 1.947 0.000 1.008) 2.193 2.923 ( -0.429 0.000 -1.548) 1.606 2.990 ( 4.437 0.000 0.445) 4.459 3.084 ( 5.093 0.000 -0.425) 5.111 3.128 ( -0.779 0.000 0.106) 0.786 3.175 ( 1.344 0.000 -2.306) 2.669 3.195 ( -0.489 0.000 -3.005) 3.045 3.227 ( 1.316 0.000 -0.030) 1.316 3.354 ( -1.560 0.000 3.456) 3.791 3.385 ( -2.155 0.000 1.247) 2.490 3.445 ( 2.636 0.000 3.327) 4.245 3.468 ( -1.784 0.000 0.383) 1.824 3.504 ( -0.341 0.000 2.868) 2.888 3.531 ( 4.095 0.000 -1.271) 4.288 3.594 ( -1.263 0.000 1.209) 1.748 3.639 ( -0.033 0.000 4.702) 4.702 3.740 ( 2.721 0.000 -1.269) 3.003 3.758 ( 0.033 0.000 2.112) 2.112 3.842 ( 5.595 0.000 1.440) 5.778 3.900 ( 2.300 0.000 2.632) 3.495 3.985 ( 3.521 0.000 7.372) 8.170 4.028 ( 0.372 0.000 8.936) 8.944 4.054 ( -0.411 0.000 6.535) 6.548 4.103 ( 0.258 0.000 0.994) 1.026 4.155 ( 4.971 0.000 5.849) 7.676 4.194 ( 4.063 0.000 5.411) 6.767 4.219 ( 1.970 0.000 5.345) 5.696 4.282 ( 6.896 0.000 10.962) 12.951 4.304 ( 0.818 0.000 5.843) 5.900 4.365 ( -1.528 0.000 -1.432) 2.094 4.395 ( 1.696 0.000 3.335) 3.741 4.418 ( -3.496 0.000 0.062) 3.496 4.514 ( 2.314 0.000 -1.663) 2.850 4.521 ( -2.096 0.000 -1.235) 2.433 4.555 ( -2.513 0.000 -5.390) 5.947 4.631 ( 1.130 0.000 -4.088) 4.242 4.646 ( -0.363 0.000 -4.275) 4.290 4.672 ( 2.223 0.000 -4.106) 4.670 4.736 ( 0.218 0.000 -0.895) 0.922 4.819 ( -1.370 0.000 2.882) 3.191 4.859 ( -1.143 0.000 -5.491) 5.609 4.877 ( 1.966 0.000 -2.121) 2.892 4.996 ( -0.699 0.000 0.801) 1.063 5.053 ( -1.561 0.000 -3.295) 3.645 5.150 ( -4.932 0.000 -4.731) 6.834 5.198 ( -2.928 0.000 -4.302) 5.204 5.240 ( -3.038 0.000 -0.672) 3.112 5.352 ( -4.147 0.000 -5.208) 6.658 5.380 ( -1.125 0.000 -2.630) 2.860 5.461 ( -0.763 0.000 -0.665) 1.012 5.578 ( -1.415 0.000 -0.567) 1.524 5.585 ( 3.603 0.000 -2.580) 4.432 5.723 ( -3.209 0.000 3.135) 4.487 5.803 ( -3.576 0.000 1.224) 3.779 5.838 ( 1.746 0.000 -1.685) 2.427 5.979 ( -0.859 0.000 -5.582) 5.647 6.254 ( 2.276 0.000 -0.114) 2.279 6.460 ( 7.213 0.000 -2.886) 7.769 ======================= Grid point 75 (39/75) ======================= q-point: (-0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( -11.888 0.000 3.653) 12.437 0.933 ( -13.437 0.000 7.420) 15.350 1.073 ( 2.267 0.000 2.283) 3.218 1.164 ( -8.013 0.000 3.354) 8.686 1.425 ( -3.449 0.000 6.148) 7.049 1.471 ( -3.741 0.000 1.940) 4.214 1.557 ( -3.000 0.000 0.574) 3.054 1.593 ( 0.934 0.000 -3.000) 3.142 1.674 ( -9.423 0.000 7.784) 12.222 1.782 ( -2.854 0.000 2.425) 3.745 1.840 ( 0.536 0.000 -6.409) 6.431 2.068 ( 2.483 0.000 -3.217) 4.064 2.123 ( 3.446 0.000 -1.979) 3.974 2.151 ( 1.800 0.000 1.039) 2.078 2.187 ( -6.156 0.000 3.314) 6.992 2.287 ( 4.395 0.000 -1.096) 4.529 2.303 ( 2.064 0.000 -2.244) 3.049 2.377 ( -0.309 0.000 0.673) 0.741 2.401 ( 3.004 0.000 -2.504) 3.910 2.486 ( 0.730 0.000 2.696) 2.793 2.497 ( -0.137 0.000 -1.592) 1.598 2.631 ( -1.033 0.000 -2.466) 2.673 2.655 ( -0.906 0.000 0.763) 1.185 2.744 ( 0.994 0.000 0.799) 1.276 2.765 ( 2.300 0.000 1.478) 2.733 2.893 ( 3.629 0.000 -1.480) 3.920 2.933 ( 3.828 0.000 -3.810) 5.401 2.955 ( 3.867 0.000 1.200) 4.049 3.034 ( -0.922 0.000 0.658) 1.133 3.085 ( -3.533 0.000 -0.810) 3.625 3.089 ( -1.597 0.000 -0.083) 1.599 3.185 ( -0.739 0.000 0.505) 0.895 3.213 ( 4.125 0.000 -1.828) 4.511 3.241 ( -0.119 0.000 -1.072) 1.079 3.327 ( -2.819 0.000 1.569) 3.226 3.358 ( -1.120 0.000 2.058) 2.343 3.427 ( -2.597 0.000 -0.451) 2.635 3.442 ( -2.745 0.000 0.619) 2.814 3.496 ( -0.927 0.000 -1.048) 1.399 3.576 ( 0.790 0.000 -1.381) 1.591 3.605 ( -0.544 0.000 5.026) 5.056 3.642 ( -1.010 0.000 1.838) 2.097 3.767 ( 1.190 0.000 -1.547) 1.952 3.782 ( 1.606 0.000 0.843) 1.814 3.905 ( 2.097 0.000 -4.472) 4.939 3.910 ( -0.035 0.000 -0.233) 0.236 4.006 ( -5.972 0.000 -0.074) 5.973 4.022 ( -2.808 0.000 4.440) 5.254 4.108 ( 1.496 0.000 3.930) 4.205 4.132 ( 0.802 0.000 -0.956) 1.247 4.229 ( 0.397 0.000 1.595) 1.644 4.253 ( -0.704 0.000 -0.305) 0.767 4.287 ( -1.151 0.000 2.638) 2.878 4.314 ( -0.300 0.000 -1.119) 1.159 4.379 ( -1.039 0.000 3.768) 3.909 4.381 ( 1.359 0.000 3.142) 3.423 4.433 ( -1.011 0.000 -2.094) 2.325 4.441 ( 0.941 0.000 -0.047) 0.942 4.469 ( 0.829 0.000 -0.819) 1.165 4.485 ( 1.669 0.000 -2.332) 2.868 4.552 ( 0.415 0.000 -1.934) 1.978 4.559 ( 0.325 0.000 -4.064) 4.077 4.670 ( -0.789 0.000 -4.785) 4.849 4.691 ( 3.093 0.000 -0.371) 3.115 4.743 ( 1.252 0.000 1.936) 2.306 4.793 ( -2.572 0.000 -3.714) 4.517 4.834 ( 0.563 0.000 4.340) 4.376 4.895 ( 3.216 0.000 -2.061) 3.819 4.989 ( -2.694 0.000 -5.593) 6.208 5.031 ( 1.092 0.000 4.666) 4.792 5.069 ( -1.229 0.000 1.661) 2.067 5.124 ( -1.347 0.000 0.037) 1.348 5.229 ( 0.654 0.000 2.862) 2.936 5.248 ( -3.193 0.000 -2.884) 4.303 5.333 ( -1.677 0.000 -1.805) 2.464 5.456 ( 0.377 0.000 1.568) 1.613 5.579 ( 0.451 0.000 0.706) 0.838 5.628 ( 1.244 0.000 -0.564) 1.366 5.685 ( -3.038 0.000 3.077) 4.324 5.774 ( -0.430 0.000 3.664) 3.689 5.849 ( 1.969 0.000 -1.119) 2.264 6.011 ( 6.120 0.000 -4.138) 7.388 6.306 ( 3.915 0.000 -2.334) 4.558 6.556 ( 5.362 0.000 -4.533) 7.021 ======================= Grid point 76 (40/75) ======================= q-point: (-0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 5.023 0.000 22.774) 23.321 0.744 ( -13.303 0.000 13.833) 19.191 1.013 ( -13.162 0.000 13.596) 18.924 1.199 ( 6.267 0.000 9.118) 11.064 1.428 ( -3.084 0.000 9.309) 9.807 1.466 ( 1.696 0.000 8.239) 8.412 1.553 ( 0.685 0.000 0.612) 0.919 1.618 ( 3.022 0.000 0.058) 3.022 1.624 ( 1.113 0.000 4.545) 4.679 1.782 ( -0.544 0.000 5.590) 5.617 1.817 ( 2.193 0.000 -4.570) 5.069 2.064 ( -0.598 0.000 -3.158) 3.214 2.093 ( -1.542 0.000 1.320) 2.030 2.203 ( 6.142 0.000 -0.866) 6.203 2.246 ( 1.921 0.000 6.050) 6.348 2.319 ( 1.204 0.000 -2.096) 2.417 2.325 ( 1.268 0.000 -1.300) 1.816 2.447 ( 5.796 0.000 1.549) 5.999 2.465 ( 2.000 0.000 -0.570) 2.079 2.514 ( 0.688 0.000 3.209) 3.282 2.531 ( 6.120 0.000 -0.859) 6.180 2.616 ( 1.335 0.000 -2.986) 3.271 2.645 ( -0.551 0.000 0.645) 0.849 2.745 ( -1.468 0.000 1.243) 1.924 2.804 ( 1.244 0.000 0.699) 1.427 2.935 ( 2.286 0.000 -2.778) 3.598 2.967 ( -2.590 0.000 1.209) 2.858 2.982 ( 1.491 0.000 -3.575) 3.873 3.013 ( -2.612 0.000 0.959) 2.782 3.021 ( 1.112 0.000 -1.929) 2.227 3.103 ( 0.958 0.000 0.678) 1.174 3.164 ( -0.759 0.000 -0.781) 1.089 3.208 ( -1.208 0.000 -2.185) 2.496 3.225 ( -2.965 0.000 1.190) 3.195 3.312 ( -5.443 0.000 0.522) 5.468 3.318 ( 1.605 0.000 -1.867) 2.462 3.389 ( -2.683 0.000 -0.886) 2.825 3.414 ( 0.758 0.000 2.351) 2.470 3.469 ( -1.503 0.000 0.745) 1.677 3.539 ( -3.164 0.000 -3.296) 4.569 3.619 ( -2.931 0.000 1.248) 3.186 3.628 ( -0.129 0.000 2.604) 2.607 3.760 ( -0.482 0.000 -1.277) 1.365 3.813 ( 0.913 0.000 -1.176) 1.488 3.880 ( -1.862 0.000 -1.840) 2.618 3.885 ( -4.357 0.000 -6.105) 7.500 3.936 ( 1.793 0.000 -0.023) 1.793 3.955 ( -6.783 0.000 -4.568) 8.178 4.046 ( -6.294 0.000 -5.226) 8.181 4.054 ( -4.036 0.000 -7.340) 8.376 4.177 ( -2.387 0.000 -1.338) 2.737 4.194 ( -4.062 0.000 -3.640) 5.454 4.272 ( -3.178 0.000 -2.758) 4.208 4.284 ( -2.701 0.000 -7.199) 7.689 4.305 ( 0.781 0.000 0.498) 0.926 4.377 ( -2.402 0.000 -6.573) 6.998 4.388 ( -1.888 0.000 -3.736) 4.186 4.437 ( -0.502 0.000 0.290) 0.579 4.468 ( 2.247 0.000 -1.721) 2.830 4.482 ( -2.288 0.000 -3.226) 3.955 4.564 ( 2.324 0.000 -0.759) 2.445 4.624 ( 5.008 0.000 2.424) 5.564 4.648 ( -0.004 0.000 0.640) 0.640 4.703 ( 0.432 0.000 -1.425) 1.489 4.794 ( 2.677 0.000 2.106) 3.406 4.803 ( 0.326 0.000 5.851) 5.860 4.884 ( 1.198 0.000 4.079) 4.251 4.951 ( 1.844 0.000 0.723) 1.981 4.964 ( 2.799 0.000 1.531) 3.190 5.050 ( -1.348 0.000 4.357) 4.561 5.063 ( -0.963 0.000 3.304) 3.441 5.160 ( 2.235 0.000 4.057) 4.632 5.248 ( 3.668 0.000 0.826) 3.760 5.273 ( 1.159 0.000 1.008) 1.536 5.318 ( -0.160 0.000 4.085) 4.088 5.488 ( 1.591 0.000 0.057) 1.592 5.585 ( -0.189 0.000 1.872) 1.882 5.628 ( -0.396 0.000 0.460) 0.607 5.660 ( -0.880 0.000 1.100) 1.408 5.847 ( 3.588 0.000 8.362) 9.099 5.926 ( 5.139 0.000 3.211) 6.060 6.089 ( 4.743 0.000 -5.322) 7.129 6.354 ( 3.113 0.000 -3.673) 4.814 6.580 ( 0.638 0.000 -6.278) 6.310 ======================= Grid point 77 (41/75) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -1.413 7.278 13.228) 15.163 0.943 ( -5.134 10.267 14.180) 18.244 1.141 ( 11.001 -0.400 13.831) 17.677 1.273 ( 5.475 -8.040 10.246) 14.128 1.396 ( 1.535 -7.304 5.585) 9.321 1.550 ( 2.031 2.441 4.847) 5.795 1.603 ( 3.870 -0.375 8.692) 9.522 1.652 ( 3.612 0.249 -0.022) 3.621 1.767 ( 2.972 1.992 -0.160) 3.581 1.878 ( 2.836 1.927 4.981) 6.048 1.940 ( 2.636 4.461 1.263) 5.333 2.030 ( 1.454 2.997 7.908) 8.581 2.140 ( -1.811 0.394 3.113) 3.623 2.232 ( 1.662 -3.135 -1.623) 3.902 2.280 ( 3.022 -1.777 3.896) 5.241 2.347 ( 2.733 -0.094 0.565) 2.792 2.428 ( 1.284 1.975 -0.344) 2.381 2.466 ( -1.243 0.154 -1.691) 2.104 2.529 ( 0.498 1.378 3.304) 3.614 2.564 ( 3.689 -2.338 1.332) 4.566 2.607 ( 1.306 0.049 -1.113) 1.717 2.663 ( 0.895 0.116 0.004) 0.902 2.685 ( -0.706 -0.716 1.099) 1.489 2.745 ( 2.947 2.462 2.032) 4.345 2.783 ( 2.592 -2.378 2.775) 4.480 2.843 ( -1.639 -4.992 1.117) 5.372 2.888 ( -1.134 -0.905 0.026) 1.451 2.926 ( -1.129 -3.759 -2.728) 4.780 2.968 ( -0.336 -1.986 -3.348) 3.908 3.004 ( 0.366 -2.866 -0.802) 2.999 3.082 ( 3.333 -0.521 -0.760) 3.458 3.115 ( -0.028 0.575 0.803) 0.988 3.162 ( -1.382 -2.952 -2.082) 3.867 3.203 ( -3.398 0.430 -1.525) 3.749 3.253 ( -0.314 -1.330 -1.844) 2.295 3.326 ( -1.060 2.971 -1.313) 3.417 3.353 ( -0.753 -0.083 -2.358) 2.477 3.381 ( -1.558 -1.154 -2.653) 3.286 3.414 ( -2.251 -0.723 -0.903) 2.531 3.518 ( -5.031 0.565 -3.125) 5.950 3.571 ( -1.541 3.458 -3.461) 5.130 3.621 ( -3.105 2.789 0.208) 4.179 3.705 ( -3.592 -0.563 -1.946) 4.124 3.749 ( -5.579 0.425 -6.061) 8.249 3.781 ( -4.718 1.583 -4.241) 6.538 3.822 ( -0.764 0.899 1.691) 2.062 3.834 ( -0.805 -0.326 -5.278) 5.349 3.915 ( -1.044 0.203 -3.466) 3.625 3.943 ( -3.510 0.099 -5.874) 6.843 4.028 ( -2.266 -0.516 -7.361) 7.719 4.067 ( -4.889 1.505 -5.582) 7.572 4.126 ( -3.378 -1.495 -4.614) 5.911 4.184 ( -2.457 0.198 -2.943) 3.839 4.215 ( 0.344 1.229 -2.473) 2.783 4.286 ( -1.975 -0.703 -0.780) 2.237 4.315 ( 0.801 -3.115 -1.516) 3.556 4.341 ( 0.505 -2.019 -0.058) 2.082 4.415 ( -1.298 0.425 1.248) 1.850 4.481 ( -0.662 3.373 -0.495) 3.473 4.545 ( 1.367 2.461 0.468) 2.854 4.606 ( -0.584 -0.095 1.638) 1.742 4.666 ( 1.349 0.830 0.708) 1.735 4.706 ( 0.282 1.300 -0.306) 1.365 4.748 ( -0.696 1.494 1.540) 2.256 4.829 ( 1.785 -0.307 2.211) 2.858 4.872 ( 2.124 1.553 1.846) 3.214 4.884 ( -0.822 -0.008 3.599) 3.692 4.995 ( 0.720 0.927 0.700) 1.366 5.005 ( 0.137 -0.236 4.093) 4.102 5.071 ( 0.137 -0.474 2.614) 2.660 5.110 ( 5.123 -0.472 2.750) 5.833 5.178 ( 1.090 -3.934 5.549) 6.889 5.259 ( 1.259 -0.201 -0.457) 1.354 5.332 ( 3.523 -1.190 1.426) 3.982 5.365 ( 4.021 -1.703 2.412) 4.989 5.470 ( 0.281 -1.414 -2.366) 2.771 5.595 ( 0.798 -0.562 1.898) 2.134 5.637 ( 1.167 0.102 0.584) 1.309 5.694 ( 0.006 3.497 2.348) 4.213 5.898 ( 1.467 -4.763 4.529) 6.734 6.043 ( 3.115 0.776 3.108) 4.468 6.114 ( 2.183 -1.523 1.268) 2.948 6.411 ( -0.154 5.553 -6.418) 8.488 6.544 ( -2.025 1.066 -6.619) 7.003 ======================= Grid point 78 (42/75) ======================= q-point: ( 0.14 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 8.167 9.208 8.966) 15.228 0.951 ( -1.784 12.065 12.878) 17.737 1.381 ( 6.146 -2.688 3.779) 7.699 1.398 ( 5.045 -8.726 4.436) 11.013 1.482 ( 3.205 -3.016 2.970) 5.309 1.624 ( 3.186 1.638 0.427) 3.608 1.705 ( 3.319 -3.525 0.693) 4.891 1.765 ( 3.334 -0.537 4.816) 5.882 1.810 ( 3.558 0.939 0.855) 3.778 1.926 ( 0.094 -0.457 5.580) 5.599 1.972 ( 0.628 3.095 -1.855) 3.662 2.116 ( -1.432 -0.427 3.478) 3.785 2.138 ( 1.041 5.291 5.230) 7.512 2.233 ( 0.687 1.588 0.595) 1.830 2.335 ( -2.659 0.527 -2.132) 3.449 2.375 ( 0.076 0.573 -1.509) 1.616 2.418 ( -0.572 -0.936 1.116) 1.565 2.472 ( 3.254 -2.708 3.213) 5.315 2.533 ( -0.760 2.343 -1.088) 2.693 2.582 ( -1.649 -3.443 -1.777) 4.211 2.627 ( 1.900 -1.406 1.063) 2.592 2.664 ( -0.630 -3.917 -0.352) 3.983 2.731 ( 1.004 -0.174 0.875) 1.343 2.785 ( -0.128 1.612 1.874) 2.476 2.810 ( -0.408 -1.519 -2.301) 2.787 2.858 ( 0.977 -1.379 0.276) 1.713 2.887 ( 1.002 -1.359 3.677) 4.046 2.926 ( 3.842 -1.073 -1.929) 4.431 2.962 ( 0.718 -0.656 -1.710) 1.967 3.010 ( -2.173 -1.269 -1.971) 3.196 3.068 ( 1.981 -1.391 0.002) 2.421 3.085 ( -0.117 -2.454 -0.014) 2.456 3.136 ( -2.150 -0.587 -0.556) 2.297 3.186 ( 0.368 1.412 -1.619) 2.179 3.251 ( -0.088 -0.788 -0.998) 1.275 3.264 ( -1.752 -1.508 -5.155) 5.650 3.299 ( -1.153 3.298 0.999) 3.634 3.376 ( 0.099 3.502 0.541) 3.544 3.408 ( 0.957 0.848 0.975) 1.608 3.449 ( -0.092 0.769 -0.506) 0.925 3.545 ( -0.586 2.405 1.133) 2.722 3.567 ( -0.492 1.216 -1.639) 2.100 3.597 ( -2.746 1.699 -3.752) 4.950 3.654 ( -3.360 1.756 -0.207) 3.797 3.715 ( -1.551 1.100 -1.288) 2.297 3.788 ( -2.012 -2.333 -3.388) 4.579 3.815 ( -1.291 2.381 -0.263) 2.721 3.855 ( -1.759 0.324 -4.106) 4.479 3.894 ( -2.498 0.628 -2.076) 3.308 3.925 ( -1.875 -2.411 -1.371) 3.348 3.986 ( 0.520 -2.103 -2.293) 3.155 4.088 ( 0.130 -0.814 -1.796) 1.976 4.151 ( -0.316 -0.080 -1.449) 1.486 4.214 ( 0.478 -0.213 -0.252) 0.581 4.260 ( -2.276 -1.313 2.126) 3.380 4.337 ( 2.357 -2.542 -2.564) 4.312 4.361 ( 0.855 -4.334 -0.260) 4.426 4.392 ( -1.159 2.041 1.295) 2.680 4.479 ( 0.293 -0.934 0.231) 1.005 4.553 ( -1.069 0.209 -0.911) 1.420 4.610 ( 0.813 -0.664 1.615) 1.926 4.661 ( -0.436 0.911 -1.837) 2.096 4.703 ( -0.449 -0.208 0.435) 0.659 4.750 ( -0.202 2.588 0.579) 2.659 4.835 ( -1.691 0.171 1.910) 2.556 4.889 ( 0.002 0.538 0.359) 0.647 4.922 ( 0.604 2.226 2.215) 3.198 4.987 ( -0.898 3.175 0.661) 3.365 5.036 ( 0.531 -1.481 2.373) 2.847 5.092 ( 0.634 -0.095 0.587) 0.869 5.183 ( 1.747 -0.334 0.190) 1.789 5.238 ( 2.200 -0.231 3.299) 3.972 5.279 ( 1.740 0.231 -1.190) 2.121 5.406 ( 2.854 -0.177 -1.252) 3.121 5.436 ( -0.560 -1.269 -2.452) 2.817 5.455 ( 3.570 -3.389 1.021) 5.027 5.622 ( 0.479 0.315 0.149) 0.592 5.665 ( 1.276 0.663 0.931) 1.713 5.721 ( 0.775 2.657 4.392) 5.191 5.909 ( -1.764 -5.881 0.414) 6.154 6.092 ( 1.202 1.660 0.993) 2.277 6.143 ( -1.060 2.310 3.440) 4.277 6.331 ( -3.604 2.318 -6.316) 7.632 6.444 ( -4.490 0.403 -5.410) 7.042 ======================= Grid point 79 (43/75) ======================= q-point: ( 0.29 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 3.604 6.961 7.825) 11.076 1.066 ( 9.314 8.884 4.897) 13.772 1.425 ( -2.771 -2.920 0.677) 4.082 1.473 ( -0.901 0.406 0.753) 1.242 1.544 ( 3.837 -2.878 -1.163) 4.935 1.645 ( -0.901 0.821 -2.333) 2.632 1.737 ( 2.772 -3.160 -3.315) 5.354 1.785 ( -0.362 -3.641 -0.800) 3.745 1.837 ( -3.363 -3.142 -0.805) 4.672 1.923 ( -2.088 0.934 -1.252) 2.607 2.006 ( 1.141 -0.655 2.391) 2.729 2.075 ( -3.552 3.829 -3.477) 6.274 2.134 ( 0.476 -1.888 -1.606) 2.524 2.206 ( -3.840 -0.898 -5.938) 7.129 2.311 ( 0.975 1.959 0.779) 2.323 2.348 ( -0.383 1.202 1.084) 1.664 2.398 ( -1.127 2.055 -4.328) 4.922 2.475 ( -2.132 -2.614 -2.526) 4.214 2.532 ( -4.349 0.754 -4.144) 6.054 2.565 ( -0.838 -0.043 -0.755) 1.129 2.590 ( 2.374 1.751 -2.456) 3.838 2.660 ( -1.431 -1.198 -2.176) 2.867 2.713 ( -2.060 -4.061 -1.287) 4.732 2.766 ( 1.414 -1.553 0.425) 2.143 2.777 ( -4.523 -2.936 -1.582) 5.620 2.845 ( 2.915 -0.557 1.963) 3.558 2.905 ( -0.881 -0.840 -1.715) 2.103 2.973 ( -0.391 0.496 -2.238) 2.325 2.994 ( 1.187 -0.626 0.959) 1.649 3.049 ( 2.380 0.986 1.785) 3.134 3.082 ( 1.357 0.834 0.061) 1.595 3.113 ( 0.972 -0.715 2.506) 2.781 3.157 ( -0.959 1.755 3.668) 4.178 3.169 ( 1.430 0.149 -3.656) 3.928 3.209 ( 4.002 0.103 3.724) 5.468 3.272 ( -0.498 -1.421 2.284) 2.736 3.357 ( 3.431 1.766 4.079) 5.615 3.385 ( 1.362 3.882 3.874) 5.651 3.449 ( 0.885 3.866 2.397) 4.634 3.494 ( 0.583 2.360 0.895) 2.590 3.531 ( 2.096 -1.498 4.039) 4.791 3.568 ( 0.703 0.012 0.130) 0.715 3.610 ( 0.877 -0.091 3.822) 3.922 3.646 ( 3.071 0.782 2.442) 4.000 3.715 ( -1.191 -0.755 0.302) 1.442 3.730 ( 0.897 2.416 3.523) 4.365 3.783 ( -0.272 -3.154 -0.066) 3.166 3.832 ( 0.880 0.850 -0.875) 1.504 3.891 ( 1.739 0.087 5.679) 5.940 3.922 ( 0.738 -1.778 -0.098) 1.928 4.009 ( 2.191 -0.471 -0.900) 2.415 4.093 ( -0.061 1.243 1.620) 2.043 4.143 ( 0.443 -0.541 -0.088) 0.705 4.222 ( -1.696 -1.361 1.675) 2.745 4.243 ( 0.841 -0.992 1.722) 2.158 4.339 ( -0.178 -2.940 -0.162) 2.950 4.365 ( -1.618 -3.330 0.228) 3.709 4.400 ( 1.913 0.329 -0.783) 2.093 4.485 ( -0.444 -2.823 0.376) 2.882 4.531 ( 1.437 -2.252 -3.127) 4.113 4.633 ( 0.522 -0.766 -1.116) 1.451 4.652 ( 0.980 1.988 -2.293) 3.189 4.699 ( -0.562 1.772 1.094) 2.157 4.748 ( 0.565 0.218 -2.058) 2.146 4.807 ( -2.131 1.721 0.413) 2.770 4.872 ( -0.881 3.387 -1.370) 3.758 4.908 ( -3.214 0.505 1.292) 3.500 4.974 ( -0.633 1.429 -1.164) 1.949 5.062 ( 0.726 -0.360 0.573) 0.993 5.100 ( 0.930 -1.665 -0.293) 1.930 5.181 ( -1.260 0.418 -2.050) 2.442 5.292 ( 2.023 2.159 -0.823) 3.072 5.304 ( 1.378 -1.058 -0.014) 1.738 5.378 ( -1.816 -0.102 -2.994) 3.503 5.438 ( 1.087 0.469 -3.300) 3.506 5.504 ( 0.759 -2.687 -0.141) 2.796 5.606 ( -2.223 -0.283 0.268) 2.256 5.691 ( 0.405 0.864 0.942) 1.341 5.766 ( 1.018 2.096 3.299) 4.039 5.862 ( -2.060 -3.150 -1.034) 3.903 6.068 ( -5.742 6.020 -3.113) 8.883 6.136 ( 0.077 0.921 1.937) 2.146 6.244 ( -1.727 -2.063 -2.977) 4.013 6.321 ( -3.970 -1.805 -5.702) 7.179 ======================= Grid point 80 (44/75) ======================= q-point: (-0.57 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -0.001 1.198 -1.819) 2.178 1.207 ( 1.748 4.871 -1.737) 5.458 1.302 ( -8.321 0.719 0.094) 8.352 1.405 ( -5.914 1.513 -0.107) 6.106 1.534 ( -6.005 -2.261 -2.599) 6.923 1.580 ( -4.290 -3.125 -2.134) 5.721 1.683 ( -4.526 -0.779 -6.367) 7.850 1.747 ( -3.045 -1.353 -1.186) 3.537 1.813 ( 3.371 -1.269 -2.221) 4.232 1.892 ( 1.102 1.718 -4.622) 5.053 1.953 ( -3.671 0.050 -4.550) 5.847 2.013 ( 0.054 1.363 -0.411) 1.424 2.128 ( 0.365 -0.435 -4.623) 4.657 2.163 ( 0.292 -2.235 -3.340) 4.029 2.254 ( -2.486 3.428 -2.183) 4.765 2.317 ( 0.960 0.105 -4.037) 4.151 2.372 ( -2.524 -1.421 -4.378) 5.250 2.438 ( -1.283 -0.126 -0.011) 1.290 2.469 ( -3.101 1.142 -1.677) 3.706 2.510 ( -0.185 -1.240 -0.932) 1.562 2.585 ( -2.787 -3.233 -3.329) 5.414 2.617 ( -0.560 -0.194 0.868) 1.051 2.660 ( -0.723 -0.658 -3.436) 3.572 2.750 ( -1.857 -1.054 -0.275) 2.153 2.798 ( 1.182 -1.560 -0.423) 2.003 2.860 ( -3.265 0.771 -3.436) 4.802 2.902 ( 1.430 0.077 0.758) 1.620 2.947 ( 2.567 1.023 -0.087) 2.764 2.957 ( -3.228 3.089 -0.126) 4.470 3.036 ( -3.012 2.748 -0.777) 4.151 3.073 ( -0.400 -0.094 0.582) 0.713 3.136 ( 1.607 -0.748 0.895) 1.985 3.206 ( 2.408 -0.761 2.102) 3.285 3.250 ( 0.182 1.960 0.545) 2.043 3.278 ( 4.147 0.578 5.526) 6.933 3.323 ( -0.424 -2.525 4.152) 4.878 3.397 ( 2.248 -0.906 5.253) 5.785 3.446 ( -0.889 -1.993 2.301) 3.171 3.483 ( 0.987 2.026 1.985) 3.003 3.531 ( 3.495 3.244 2.726) 5.493 3.598 ( -0.080 -1.062 1.505) 1.844 3.629 ( 4.536 2.593 3.230) 6.142 3.641 ( 1.741 0.263 0.713) 1.900 3.700 ( 3.036 -0.416 5.739) 6.506 3.759 ( 2.228 -1.433 4.364) 5.105 3.807 ( 4.108 0.507 5.444) 6.839 3.860 ( 4.063 -0.694 6.636) 7.812 3.914 ( 4.113 -3.880 1.188) 5.777 3.971 ( 4.815 0.802 8.981) 10.221 3.999 ( 4.139 -0.405 6.706) 7.891 4.059 ( 4.004 1.965 3.371) 5.591 4.105 ( 0.399 1.539 3.162) 3.539 4.154 ( 0.431 -0.074 3.105) 3.136 4.239 ( 0.365 -3.168 1.349) 3.463 4.263 ( 1.348 2.105 2.785) 3.742 4.323 ( -1.644 -2.098 1.353) 2.989 4.350 ( 0.430 -4.066 0.107) 4.091 4.431 ( 1.921 0.958 -0.381) 2.180 4.482 ( 1.052 -2.970 -2.454) 3.994 4.555 ( 2.230 -2.427 -3.244) 4.625 4.601 ( -1.347 2.678 -3.121) 4.327 4.649 ( -1.627 2.170 -1.567) 3.132 4.686 ( -1.349 -0.456 0.377) 1.473 4.750 ( 1.698 -0.612 -4.223) 4.592 4.771 ( -1.090 3.789 -1.536) 4.231 4.846 ( -2.910 0.870 -0.445) 3.070 4.861 ( 0.099 3.044 0.107) 3.048 4.939 ( -1.433 1.677 -3.292) 3.963 5.046 ( -2.005 0.196 -0.297) 2.036 5.117 ( -3.208 1.428 -3.225) 4.768 5.135 ( 2.340 -5.810 -2.764) 6.847 5.275 ( -3.450 0.465 -3.505) 4.940 5.299 ( -0.451 -0.431 -2.730) 2.800 5.342 ( -0.952 -1.169 -1.442) 2.086 5.427 ( -0.577 -0.729 -2.036) 2.238 5.501 ( 0.421 -0.271 -2.045) 2.106 5.550 ( -2.685 -0.659 -0.605) 2.830 5.670 ( -3.056 1.692 -0.321) 3.508 5.787 ( -0.830 1.968 1.981) 2.913 5.841 ( -0.982 -0.854 -0.487) 1.390 5.917 ( -5.224 4.935 -3.204) 7.868 6.088 ( -4.889 0.941 -6.435) 8.136 6.203 ( -0.350 -2.687 1.482) 3.088 6.324 ( 6.237 -2.554 -3.385) 7.542 ======================= Grid point 81 (45/75) ======================= q-point: (-0.43 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -10.250 0.847 -7.410) 12.676 1.071 ( -8.397 0.071 -6.617) 10.691 1.150 ( -10.589 0.333 4.944) 11.691 1.285 ( -7.897 0.103 -1.872) 8.116 1.399 ( -7.316 -6.556 0.432) 9.833 1.452 ( -5.013 -3.888 0.100) 6.345 1.582 ( -2.636 -1.812 -3.372) 4.648 1.713 ( -0.558 0.058 -2.879) 2.933 1.784 ( -3.077 3.625 -4.123) 6.294 1.886 ( 0.975 3.896 -1.240) 4.203 1.980 ( 3.553 2.589 0.047) 4.397 2.025 ( 1.515 3.967 -1.390) 4.468 2.090 ( 0.125 0.413 -2.859) 2.891 2.160 ( -1.145 2.411 -0.276) 2.684 2.237 ( -0.649 3.465 1.140) 3.705 2.282 ( 0.861 -1.176 -3.498) 3.790 2.341 ( -1.435 -3.513 -2.490) 4.539 2.395 ( -1.498 -0.072 -1.878) 2.403 2.424 ( -1.797 1.366 0.762) 2.382 2.473 ( -1.433 0.648 -2.477) 2.934 2.509 ( -1.745 -0.081 -2.401) 2.969 2.624 ( -1.295 -0.877 1.865) 2.434 2.632 ( 1.510 -4.253 -3.589) 5.766 2.729 ( 1.368 -1.930 -0.858) 2.517 2.788 ( -1.341 3.112 -1.118) 3.568 2.838 ( 1.287 -1.672 -1.317) 2.487 2.877 ( -1.743 1.326 -0.665) 2.289 2.909 ( -0.209 1.590 0.436) 1.662 3.008 ( 0.275 -3.430 -0.029) 3.441 3.051 ( 3.930 -2.391 0.577) 4.636 3.076 ( -0.138 1.058 0.832) 1.353 3.166 ( 0.711 0.427 0.686) 1.076 3.188 ( -4.332 -1.700 1.612) 4.925 3.240 ( 0.102 -0.244 -0.676) 0.726 3.332 ( -1.338 -3.982 3.099) 5.221 3.372 ( 0.930 -0.945 4.026) 4.238 3.408 ( -0.668 -3.429 0.790) 3.582 3.431 ( -0.639 3.207 1.926) 3.795 3.542 ( -1.636 0.021 1.185) 2.021 3.571 ( 1.367 -0.180 0.431) 1.445 3.614 ( 2.255 4.122 2.783) 5.461 3.675 ( 1.054 1.321 3.209) 3.627 3.718 ( 2.944 -1.321 -1.740) 3.666 3.788 ( 3.150 2.122 1.059) 3.942 3.827 ( 1.618 -0.088 3.229) 3.613 3.914 ( 3.051 -1.872 3.816) 5.232 3.966 ( 4.057 0.353 4.990) 6.440 4.007 ( 1.807 -0.180 2.096) 2.773 4.063 ( 1.892 -0.610 6.620) 6.912 4.093 ( 1.806 0.505 4.119) 4.526 4.149 ( 2.925 2.087 8.449) 9.182 4.214 ( 4.302 1.526 3.949) 6.036 4.234 ( 1.696 -1.610 3.661) 4.344 4.290 ( 6.602 0.229 9.022) 11.182 4.309 ( 2.254 -0.073 4.046) 4.632 4.351 ( 1.950 -1.195 -0.579) 2.359 4.376 ( 2.731 -0.985 2.483) 3.820 4.452 ( 0.139 -0.413 -2.489) 2.527 4.477 ( 0.342 1.150 -1.390) 1.836 4.539 ( -1.870 -0.206 -2.377) 3.032 4.564 ( -1.224 1.290 -2.849) 3.358 4.601 ( -0.507 0.475 -1.893) 2.016 4.657 ( -0.857 0.718 -2.817) 3.031 4.721 ( -1.941 0.756 -4.778) 5.213 4.766 ( 1.911 3.178 -1.527) 4.011 4.803 ( -1.843 -0.088 0.470) 1.904 4.880 ( 0.227 0.445 -1.280) 1.374 4.907 ( 1.272 2.327 -1.216) 2.918 4.995 ( -2.661 0.388 -1.570) 3.114 5.042 ( -1.936 -0.670 -3.274) 3.863 5.123 ( -2.498 -4.990 -2.222) 6.007 5.163 ( -4.568 -0.791 -5.156) 6.934 5.239 ( -3.341 0.621 -2.457) 4.193 5.303 ( -1.844 -2.748 -3.481) 4.803 5.385 ( -2.481 -1.134 0.097) 2.730 5.484 ( -2.034 0.591 -2.736) 3.460 5.543 ( 1.766 -0.620 -0.033) 1.872 5.598 ( -2.023 1.461 -1.095) 2.725 5.755 ( -2.102 0.445 0.247) 2.163 5.804 ( -3.195 0.809 3.324) 4.681 5.878 ( -0.801 3.225 -2.560) 4.195 5.973 ( -0.730 -0.971 -5.015) 5.160 6.246 ( 4.409 0.124 -1.008) 4.525 6.436 ( 7.512 -2.363 -3.302) 8.539 ======================= Grid point 82 (46/75) ======================= q-point: (-0.29 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -10.071 5.689 3.432) 12.065 0.907 ( -12.434 -1.228 6.941) 14.293 1.028 ( -3.271 -4.389 5.227) 7.568 1.144 ( -7.040 -3.848 3.079) 8.593 1.307 ( -2.163 -6.052 4.365) 7.769 1.426 ( -0.284 -2.131 2.814) 3.541 1.533 ( -0.938 -2.144 -0.693) 2.441 1.676 ( -1.937 -0.340 -0.505) 2.030 1.729 ( -1.890 6.664 -1.025) 7.002 1.831 ( -7.501 7.926 4.059) 11.643 1.950 ( -3.911 6.591 0.713) 7.697 2.041 ( -1.186 -2.425 -2.351) 3.580 2.107 ( 3.584 0.590 -0.386) 3.652 2.169 ( 0.094 1.915 0.572) 2.001 2.226 ( -0.073 2.024 1.588) 2.574 2.286 ( 1.887 -0.106 -4.562) 4.938 2.326 ( 1.595 0.263 0.431) 1.673 2.379 ( 3.082 3.188 -1.308) 4.623 2.435 ( 3.766 0.859 -2.238) 4.464 2.469 ( 1.334 -2.119 -3.374) 4.201 2.517 ( 1.206 4.115 2.237) 4.837 2.607 ( 0.056 -0.754 -0.904) 1.179 2.662 ( 2.786 -1.954 -0.629) 3.461 2.734 ( -2.334 -3.918 1.349) 4.756 2.786 ( 1.601 0.488 0.080) 1.676 2.847 ( 0.477 -3.734 -0.541) 3.803 2.879 ( 2.311 -1.586 -1.800) 3.331 2.927 ( 0.976 -1.171 -0.813) 1.728 2.999 ( -0.387 -3.035 1.481) 3.399 3.048 ( -2.682 -0.125 1.150) 2.921 3.085 ( -1.301 -5.570 0.600) 5.752 3.118 ( -2.867 -2.363 0.465) 3.744 3.189 ( -1.445 -2.156 -0.722) 2.694 3.229 ( 0.978 -1.452 0.444) 1.806 3.323 ( -0.779 1.143 2.140) 2.548 3.379 ( -1.520 0.339 2.223) 2.715 3.410 ( -0.726 -2.378 0.824) 2.620 3.448 ( 0.758 3.148 0.275) 3.250 3.515 ( -0.469 0.481 1.116) 1.302 3.559 ( -2.561 0.500 -0.927) 2.769 3.630 ( -0.060 0.710 -1.333) 1.512 3.700 ( 0.050 -0.073 -0.935) 0.940 3.757 ( 1.508 0.919 0.879) 1.973 3.806 ( -0.217 2.303 -0.239) 2.326 3.871 ( 1.656 -1.139 -1.153) 2.317 3.959 ( -0.049 2.121 -0.308) 2.144 3.986 ( -2.010 -0.376 -0.839) 2.211 4.029 ( -0.578 2.187 2.514) 3.382 4.097 ( 0.226 0.146 0.614) 0.670 4.151 ( 0.563 -1.984 -1.023) 2.303 4.216 ( 0.767 -0.485 1.333) 1.613 4.259 ( -2.477 0.205 0.376) 2.514 4.312 ( -0.528 2.669 0.070) 2.722 4.333 ( 2.806 2.719 3.574) 5.295 4.383 ( -1.818 -0.863 -1.064) 2.276 4.426 ( -0.171 0.759 -2.529) 2.646 4.438 ( -1.611 1.374 -1.272) 2.471 4.450 ( 3.866 -0.058 3.387) 5.140 4.461 ( 2.260 2.504 4.492) 5.617 4.496 ( 0.281 1.509 -3.952) 4.240 4.551 ( 1.329 -0.403 -1.250) 1.868 4.599 ( 0.006 0.869 -4.737) 4.816 4.617 ( 0.877 -0.107 -1.467) 1.713 4.680 ( 0.925 -2.218 -1.221) 2.695 4.766 ( -1.192 -0.061 0.061) 1.195 4.816 ( 0.940 1.703 2.427) 3.111 4.851 ( -0.690 3.325 -1.108) 3.572 4.913 ( 0.079 0.845 -2.218) 2.375 4.979 ( -0.507 -2.098 -0.466) 2.208 4.997 ( -0.667 -1.071 0.282) 1.293 5.070 ( -1.455 -1.407 1.962) 2.819 5.080 ( -1.169 -3.455 0.385) 3.668 5.207 ( 0.302 -1.482 1.982) 2.493 5.248 ( -1.652 -0.555 -1.178) 2.104 5.335 ( -2.472 0.908 -1.852) 3.220 5.438 ( -0.758 -2.373 1.061) 2.707 5.576 ( 0.408 -0.446 1.382) 1.509 5.600 ( 1.708 0.385 -0.216) 1.764 5.729 ( -2.927 1.985 1.760) 3.950 5.757 ( -1.269 -0.681 2.703) 3.063 5.866 ( 2.135 1.231 -0.701) 2.562 5.998 ( 3.742 -2.360 -1.578) 4.697 6.335 ( 6.494 3.488 -3.996) 8.385 6.539 ( 6.138 -1.998 -4.758) 8.020 ======================= Grid point 83 (47/75) ======================= q-point: (-0.14 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -10.720 2.551 13.472) 17.405 0.769 ( 5.054 6.466 20.228) 21.829 1.057 ( -5.579 -2.031 7.194) 9.328 1.102 ( 3.681 -7.131 11.703) 14.190 1.349 ( 1.049 -6.864 5.656) 8.955 1.481 ( 2.677 0.237 8.530) 8.944 1.528 ( -1.680 -0.707 3.868) 4.276 1.620 ( -2.688 6.380 3.035) 7.559 1.736 ( 1.546 1.172 -1.824) 2.663 1.769 ( 1.704 6.414 5.070) 8.352 1.913 ( -0.935 2.749 1.185) 3.136 2.010 ( -1.171 0.276 1.372) 1.825 2.132 ( -0.681 -0.405 1.813) 1.978 2.184 ( 2.693 -0.646 1.982) 3.406 2.260 ( 0.439 -2.277 -2.605) 3.488 2.305 ( 1.620 2.030 1.294) 2.902 2.379 ( 3.983 2.091 0.651) 4.546 2.444 ( 4.245 0.747 -2.309) 4.890 2.475 ( 2.993 1.901 -1.589) 3.886 2.508 ( 1.255 -0.187 1.316) 1.828 2.574 ( 4.232 2.014 0.258) 4.694 2.618 ( 1.651 2.595 0.851) 3.192 2.699 ( 1.175 1.060 -1.091) 1.922 2.714 ( -0.344 -3.012 0.817) 3.140 2.774 ( -3.035 -4.102 1.252) 5.254 2.841 ( 0.064 -2.428 1.225) 2.720 2.914 ( -0.288 -3.629 0.508) 3.675 2.957 ( 2.876 -2.745 -1.980) 4.441 2.982 ( -1.638 -4.703 -0.766) 5.038 3.029 ( -0.806 0.092 -0.681) 1.059 3.049 ( -1.807 -1.203 0.363) 2.201 3.076 ( 0.547 -5.104 -0.718) 5.184 3.176 ( 0.990 -3.187 -0.823) 3.437 3.249 ( -0.075 -4.382 -0.363) 4.397 3.303 ( -2.232 3.128 0.707) 3.907 3.341 ( -3.181 2.613 0.207) 4.122 3.387 ( -1.778 -1.636 -0.080) 2.418 3.453 ( -2.204 2.598 -0.028) 3.407 3.466 ( -3.032 0.233 -2.534) 3.959 3.552 ( 0.807 0.316 1.579) 1.801 3.621 ( 0.782 2.313 -3.259) 4.072 3.668 ( -2.612 -0.280 -2.211) 3.434 3.768 ( -0.965 0.088 -0.328) 1.023 3.795 ( 0.122 1.204 -2.231) 2.538 3.843 ( -2.895 -2.738 -2.645) 4.783 3.908 ( -3.997 1.781 -1.125) 4.519 3.937 ( -2.387 1.089 -5.596) 6.181 4.006 ( -2.811 2.093 -4.129) 5.416 4.058 ( -1.423 2.271 -3.350) 4.290 4.074 ( -5.832 0.708 -6.936) 9.090 4.171 ( -3.573 0.765 -4.506) 5.801 4.218 ( -1.938 -0.792 -1.778) 2.746 4.263 ( -3.118 -0.823 -4.082) 5.203 4.290 ( -2.050 1.342 -0.188) 2.457 4.316 ( -4.495 0.891 -4.074) 6.132 4.366 ( -2.069 -0.986 -4.458) 5.013 4.394 ( -5.184 0.193 -7.640) 9.234 4.432 ( 0.142 -0.174 -1.861) 1.875 4.489 ( 0.012 3.912 1.481) 4.183 4.523 ( 0.315 2.551 -0.080) 2.572 4.577 ( 2.892 1.317 1.166) 3.385 4.620 ( 1.854 -0.344 1.403) 2.351 4.670 ( 4.457 2.041 0.906) 4.986 4.733 ( 1.387 -0.579 0.914) 1.759 4.770 ( 2.075 0.289 3.444) 4.031 4.842 ( 0.089 2.257 2.561) 3.415 4.858 ( 0.149 -1.839 3.006) 3.527 4.935 ( 3.867 -0.251 0.140) 3.877 4.980 ( 0.680 0.619 3.239) 3.367 5.015 ( 1.679 -1.805 2.843) 3.763 5.070 ( -1.684 -0.417 3.342) 3.766 5.120 ( 1.735 -4.416 5.483) 7.251 5.236 ( 1.142 -0.167 -0.240) 1.179 5.267 ( 2.893 -1.193 3.510) 4.702 5.305 ( -0.135 -0.492 1.669) 1.745 5.453 ( 1.208 -3.305 0.844) 3.619 5.585 ( -0.276 0.664 1.615) 1.768 5.620 ( 0.424 0.051 0.317) 0.532 5.691 ( -1.139 2.746 0.764) 3.069 5.814 ( 2.922 -1.936 6.338) 7.243 5.944 ( 4.842 0.760 3.034) 5.765 6.059 ( 3.583 -3.776 -0.886) 5.280 6.409 ( 4.520 5.682 -5.885) 9.346 6.585 ( 2.572 -0.618 -6.866) 7.358 ======================= Grid point 84 (48/75) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 1.124 0.000 8.572) 8.645 0.911 ( 4.377 -0.000 4.645) 6.382 1.169 ( 9.637 0.000 13.025) 16.203 1.191 ( 6.608 0.000 14.342) 15.791 1.287 ( -2.945 -0.000 9.871) 10.301 1.558 ( 5.280 0.000 0.491) 5.303 1.612 ( 0.569 0.000 5.229) 5.260 1.703 ( 3.025 0.000 1.943) 3.596 1.764 ( 0.207 0.000 0.275) 0.344 1.904 ( 2.347 0.000 4.671) 5.227 2.014 ( 1.610 0.000 9.946) 10.076 2.076 ( 0.692 0.000 -3.102) 3.179 2.117 ( 1.935 0.000 10.337) 10.517 2.203 ( 2.055 0.000 7.101) 7.392 2.264 ( 0.251 0.000 4.708) 4.715 2.290 ( 1.833 0.000 -2.017) 2.726 2.455 ( 0.513 -0.000 3.916) 3.950 2.463 ( -0.163 0.000 -3.519) 3.523 2.533 ( -2.355 0.000 -3.182) 3.958 2.570 ( 2.603 0.000 -0.683) 2.691 2.603 ( 1.582 0.000 2.445) 2.913 2.649 ( -1.111 -0.000 2.024) 2.309 2.712 ( -2.151 -0.000 1.621) 2.693 2.713 ( 3.295 0.000 3.012) 4.464 2.790 ( 1.446 0.000 -1.536) 2.110 2.818 ( 2.399 0.000 -1.230) 2.696 2.868 ( 0.392 0.000 -1.198) 1.260 2.878 ( 1.530 0.000 1.729) 2.309 2.949 ( -0.128 0.000 -1.528) 1.533 2.978 ( -0.864 0.000 -1.935) 2.119 3.059 ( 1.241 0.000 -0.098) 1.245 3.104 ( 0.626 0.000 0.183) 0.652 3.159 ( -1.017 -0.000 -1.218) 1.587 3.182 ( 2.585 0.000 0.718) 2.683 3.274 ( -1.841 0.000 -3.329) 3.804 3.293 ( -2.582 0.000 -3.657) 4.476 3.377 ( -0.042 0.000 -1.327) 1.327 3.388 ( -2.924 -0.000 -4.470) 5.342 3.409 ( 0.932 0.000 -2.045) 2.248 3.515 ( -4.890 0.000 -3.544) 6.040 3.617 ( -2.777 0.000 -4.712) 5.469 3.642 ( 1.418 0.000 -0.531) 1.515 3.707 ( -3.993 0.000 -2.268) 4.592 3.745 ( -5.505 0.000 -2.597) 6.087 3.774 ( -0.285 0.000 -3.942) 3.953 3.852 ( -3.615 0.000 -1.352) 3.859 3.854 ( -2.876 -0.000 -6.589) 7.190 3.888 ( -2.171 0.000 -8.523) 8.795 3.964 ( -3.189 0.000 -4.201) 5.275 4.029 ( -2.510 0.000 -8.208) 8.584 4.064 ( -5.706 0.000 -6.808) 8.883 4.119 ( -4.547 0.000 -7.254) 8.561 4.209 ( -0.110 0.000 0.259) 0.281 4.237 ( 0.285 0.000 1.600) 1.625 4.254 ( -2.887 0.000 1.551) 3.277 4.279 ( -3.247 -0.000 -0.062) 3.247 4.302 ( -1.911 0.000 -1.865) 2.670 4.437 ( 1.283 0.000 0.658) 1.442 4.549 ( -3.538 0.000 3.965) 5.314 4.581 ( -3.292 0.000 3.274) 4.643 4.603 ( 0.013 0.000 0.146) 0.147 4.620 ( 0.605 0.000 1.409) 1.533 4.752 ( 2.815 0.000 4.109) 4.981 4.759 ( -1.357 -0.000 -0.721) 1.537 4.808 ( 0.725 0.000 0.959) 1.202 4.882 ( -0.796 0.000 3.881) 3.962 4.903 ( 3.965 0.000 1.741) 4.330 4.990 ( 1.191 0.000 -1.101) 1.622 5.020 ( 0.888 0.000 3.144) 3.267 5.065 ( 1.827 0.000 -0.064) 1.829 5.098 ( 2.465 0.000 5.079) 5.646 5.135 ( 5.979 0.000 3.535) 6.946 5.269 ( 1.040 0.000 1.848) 2.121 5.300 ( 2.468 0.000 -0.390) 2.499 5.345 ( 3.431 0.000 2.729) 4.384 5.455 ( 1.501 0.000 -1.942) 2.454 5.594 ( 0.388 0.000 1.755) 1.798 5.638 ( 1.205 0.000 0.683) 1.385 5.788 ( 0.175 0.000 2.774) 2.780 5.795 ( 0.758 -0.000 0.585) 0.958 6.060 ( 5.032 0.000 0.806) 5.096 6.080 ( 1.156 0.000 7.946) 8.030 6.508 ( 0.046 0.000 -10.389) 10.390 6.524 ( -1.584 -0.000 -4.902) 5.152 ======================= Grid point 86 (49/75) ======================= q-point: ( 0.14 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 5.562 0.000 8.227) 9.930 1.049 ( 6.803 0.000 1.808) 7.039 1.268 ( -0.170 0.000 8.246) 8.248 1.372 ( 7.073 -0.000 4.252) 8.253 1.416 ( 4.728 0.000 9.663) 10.758 1.648 ( 4.738 -0.000 -2.807) 5.507 1.656 ( 2.576 0.000 1.543) 3.003 1.760 ( -1.909 0.000 -0.316) 1.935 1.816 ( 4.574 0.000 1.913) 4.958 1.922 ( -3.419 0.000 6.937) 7.734 2.044 ( -1.088 0.000 2.479) 2.708 2.077 ( 3.244 0.000 -6.025) 6.843 2.223 ( -1.750 0.000 1.073) 2.053 2.280 ( 1.261 0.000 7.766) 7.867 2.314 ( 0.841 0.000 4.372) 4.452 2.335 ( -0.835 -0.000 0.207) 0.860 2.420 ( 0.783 0.000 0.264) 0.827 2.433 ( 0.326 0.000 2.152) 2.177 2.547 ( 1.923 0.000 1.171) 2.251 2.572 ( -1.264 0.000 -2.688) 2.971 2.601 ( -1.692 0.000 -1.025) 1.978 2.633 ( 0.385 0.000 3.095) 3.119 2.739 ( 1.544 0.000 0.674) 1.684 2.766 ( -0.736 0.000 -2.197) 2.317 2.810 ( 1.666 0.000 1.403) 2.178 2.817 ( -1.841 0.000 0.335) 1.871 2.892 ( -0.494 0.000 1.348) 1.435 2.908 ( 0.158 0.000 -1.020) 1.032 2.973 ( 5.789 0.000 2.620) 6.354 2.987 ( 1.077 0.000 -1.321) 1.704 3.036 ( 0.009 0.000 -1.674) 1.674 3.078 ( 0.131 0.000 -2.040) 2.044 3.132 ( -1.460 0.000 -0.915) 1.723 3.198 ( -1.021 -0.000 -4.087) 4.213 3.224 ( -0.896 0.000 -2.325) 2.491 3.255 ( 1.060 0.000 -1.716) 2.018 3.357 ( 0.898 0.000 2.513) 2.669 3.382 ( -0.617 -0.000 0.430) 0.752 3.441 ( 0.046 0.000 -1.810) 1.811 3.456 ( 4.335 0.000 0.307) 4.346 3.566 ( 0.939 -0.000 -2.735) 2.892 3.571 ( -4.854 0.000 -2.735) 5.572 3.642 ( -2.066 0.000 -2.448) 3.204 3.679 ( -0.115 -0.000 1.897) 1.900 3.735 ( -2.268 -0.000 -1.654) 2.807 3.747 ( -3.705 0.000 -5.630) 6.740 3.838 ( 2.342 0.000 -1.193) 2.628 3.840 ( -6.560 0.000 -7.170) 9.718 3.882 ( 1.997 0.000 -2.159) 2.941 3.938 ( -0.293 0.000 -1.894) 1.916 3.955 ( -2.434 0.000 -2.766) 3.685 4.065 ( -1.232 0.000 -1.592) 2.012 4.195 ( -2.916 -0.000 1.988) 3.529 4.201 ( -0.696 0.000 0.476) 0.843 4.252 ( -2.364 -0.000 0.718) 2.470 4.270 ( 1.247 0.000 0.902) 1.539 4.294 ( 3.421 0.000 -1.627) 3.788 4.453 ( -0.765 0.000 0.569) 0.954 4.503 ( -3.739 -0.000 3.605) 5.194 4.508 ( -5.227 0.000 2.545) 5.814 4.625 ( 1.205 0.000 2.570) 2.838 4.647 ( 1.106 0.000 0.792) 1.360 4.703 ( -1.362 0.000 -3.418) 3.679 4.782 ( -1.038 0.000 1.558) 1.872 4.842 ( 1.089 0.000 1.442) 1.808 4.893 ( -0.371 0.000 1.847) 1.884 4.953 ( 0.874 -0.000 0.753) 1.154 4.975 ( -1.342 0.000 -1.399) 1.939 5.057 ( 0.722 0.000 2.899) 2.987 5.096 ( 1.146 0.000 -1.051) 1.555 5.178 ( 3.316 0.000 0.948) 3.449 5.235 ( 3.187 -0.000 0.568) 3.238 5.298 ( 1.024 0.000 1.348) 1.693 5.369 ( 4.655 0.000 -0.611) 4.695 5.413 ( 3.316 0.000 -0.659) 3.381 5.436 ( -1.227 0.000 -1.947) 2.301 5.632 ( 2.053 0.000 -0.199) 2.063 5.671 ( 1.621 0.000 0.670) 1.754 5.797 ( -2.300 0.000 6.726) 7.109 5.799 ( 0.269 -0.000 -1.375) 1.401 6.131 ( 3.586 0.000 -2.508) 4.376 6.131 ( -1.272 0.000 8.153) 8.252 6.384 ( -6.197 0.000 -9.370) 11.234 6.434 ( -4.691 0.000 -4.964) 6.830 ======================= Grid point 88 (50/75) ======================= q-point: ( 0.29 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 1.383 0.000 0.857) 1.627 1.185 ( 5.759 0.000 7.245) 9.254 1.360 ( 1.594 0.000 5.388) 5.619 1.492 ( 0.060 0.000 3.493) 3.493 1.498 ( 4.710 -0.000 -1.133) 4.845 1.674 ( -1.641 0.000 0.966) 1.904 1.681 ( -1.695 -0.000 1.086) 2.014 1.744 ( 3.051 0.000 -5.150) 5.986 1.775 ( -3.915 -0.000 -5.440) 6.702 1.932 ( 0.511 0.000 0.668) 0.841 2.019 ( -2.725 0.000 -0.637) 2.799 2.099 ( -1.739 0.000 -7.699) 7.893 2.168 ( 0.993 0.000 -5.141) 5.236 2.189 ( -4.475 0.000 -3.198) 5.501 2.275 ( -0.829 0.000 -2.911) 3.027 2.389 ( -2.495 -0.000 1.957) 3.171 2.428 ( -2.578 -0.000 0.145) 2.582 2.433 ( 0.642 0.000 -2.296) 2.384 2.540 ( -1.746 0.000 -2.521) 3.066 2.570 ( 2.095 0.000 -2.688) 3.408 2.609 ( -4.723 0.000 -5.287) 7.089 2.614 ( -0.431 -0.000 2.622) 2.657 2.702 ( -1.809 0.000 -4.231) 4.602 2.743 ( 0.605 0.000 -1.423) 1.546 2.764 ( -1.971 0.000 3.342) 3.880 2.840 ( 2.904 0.000 1.559) 3.296 2.883 ( -1.228 -0.000 -1.000) 1.583 2.950 ( 1.346 0.000 0.385) 1.400 2.999 ( 4.068 -0.000 1.868) 4.476 3.070 ( -0.648 -0.000 0.068) 0.651 3.071 ( 0.783 0.000 -0.644) 1.014 3.124 ( 1.541 0.000 0.428) 1.600 3.133 ( 7.402 0.000 4.410) 8.616 3.215 ( 0.697 -0.000 1.647) 1.788 3.222 ( 0.337 0.000 3.798) 3.813 3.242 ( 0.055 0.000 1.066) 1.067 3.381 ( 0.942 0.000 2.291) 2.477 3.434 ( 3.376 0.000 2.680) 4.310 3.485 ( 3.094 0.000 5.068) 5.937 3.502 ( -3.435 -0.000 2.138) 4.047 3.550 ( 0.332 -0.000 5.443) 5.454 3.552 ( -2.111 0.000 2.838) 3.537 3.627 ( 2.544 -0.000 -0.402) 2.576 3.670 ( -2.868 -0.000 1.815) 3.394 3.697 ( 2.738 -0.000 -1.668) 3.206 3.707 ( 1.336 0.000 1.025) 1.684 3.757 ( 1.471 0.000 0.655) 1.610 3.857 ( -1.344 0.000 -1.267) 1.847 3.908 ( 3.524 0.000 1.947) 4.026 3.934 ( 1.023 0.000 -1.725) 2.006 3.973 ( 4.367 0.000 -0.205) 4.372 4.057 ( 0.002 0.000 3.253) 3.253 4.162 ( -1.947 0.000 2.066) 2.839 4.201 ( 0.216 0.000 0.003) 0.216 4.239 ( 0.612 0.000 0.966) 1.144 4.294 ( 0.387 -0.000 -0.048) 0.390 4.333 ( -0.059 0.000 0.822) 0.824 4.439 ( 0.582 -0.000 -1.178) 1.314 4.462 ( 0.899 -0.000 -1.362) 1.632 4.468 ( -1.718 0.000 1.581) 2.335 4.650 ( 0.187 0.000 2.400) 2.408 4.660 ( 0.065 0.000 -1.456) 1.457 4.701 ( 2.357 0.000 -2.992) 3.809 4.748 ( -3.070 0.000 -0.003) 3.070 4.850 ( -1.038 0.000 1.343) 1.697 4.882 ( -1.689 0.000 -0.102) 1.692 4.948 ( 0.170 -0.000 -2.102) 2.108 4.962 ( 0.252 0.000 -0.813) 0.851 5.073 ( -0.201 0.000 0.525) 0.562 5.080 ( -1.516 0.000 -2.354) 2.800 5.207 ( -0.379 0.000 -0.517) 0.641 5.279 ( 1.656 -0.000 -1.093) 1.984 5.305 ( -0.388 0.000 -1.673) 1.717 5.401 ( -0.406 0.000 -1.858) 1.902 5.418 ( 0.090 -0.000 -0.342) 0.354 5.467 ( 3.451 0.000 -3.355) 4.813 5.627 ( -2.996 0.000 0.253) 3.007 5.693 ( 0.223 0.000 0.342) 0.409 5.804 ( -1.520 0.000 7.238) 7.396 5.806 ( 1.749 -0.000 -1.269) 2.161 6.143 ( -1.906 0.000 5.104) 5.448 6.181 ( 4.603 -0.000 -4.750) 6.614 6.184 ( -9.003 0.000 -7.378) 11.639 6.295 ( -6.257 0.000 -5.807) 8.537 ======================= Grid point 90 (51/75) ======================= q-point: (-0.57 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -2.679 0.000 -5.656) 6.259 1.277 ( -1.908 -0.000 2.012) 2.773 1.293 ( -9.750 0.000 6.081) 11.491 1.452 ( -6.532 -0.000 -0.204) 6.535 1.466 ( -5.170 0.000 -0.088) 5.171 1.563 ( -9.618 0.000 -5.736) 11.198 1.670 ( -4.736 0.000 -5.754) 7.453 1.739 ( 2.274 0.000 -4.495) 5.038 1.773 ( 7.923 -0.000 0.046) 7.924 1.940 ( -2.554 0.000 -9.553) 9.888 1.973 ( 1.000 0.000 -0.722) 1.234 1.975 ( 0.940 0.000 -2.160) 2.356 2.145 ( 0.812 0.000 -6.216) 6.269 2.155 ( 1.638 -0.000 -1.354) 2.125 2.289 ( 2.414 0.000 -4.662) 5.250 2.294 ( -3.369 -0.000 -3.198) 4.645 2.392 ( -5.409 0.000 -3.460) 6.421 2.413 ( 1.669 0.000 -0.069) 1.670 2.481 ( -2.016 0.000 -2.597) 3.288 2.498 ( -1.606 0.000 -4.475) 4.754 2.543 ( -2.270 0.000 -2.609) 3.459 2.585 ( -2.157 0.000 -0.837) 2.314 2.682 ( 1.688 0.000 -6.139) 6.366 2.746 ( -1.162 0.000 0.022) 1.162 2.772 ( -0.464 0.000 2.018) 2.071 2.865 ( -2.663 0.000 -3.130) 4.110 2.898 ( 2.988 0.000 2.028) 3.611 2.957 ( 3.376 0.000 0.955) 3.509 3.009 ( -4.216 0.000 -1.095) 4.356 3.062 ( -4.829 0.000 0.839) 4.901 3.093 ( 0.187 0.000 3.358) 3.363 3.129 ( 1.833 0.000 0.544) 1.912 3.176 ( -1.315 -0.000 3.574) 3.808 3.267 ( -1.951 0.000 4.349) 4.767 3.281 ( 3.325 0.000 2.154) 3.961 3.332 ( 2.355 0.000 7.768) 8.118 3.364 ( -4.309 -0.000 0.094) 4.311 3.403 ( 1.124 0.000 1.972) 2.270 3.518 ( 3.237 0.000 4.316) 5.395 3.571 ( 1.579 0.000 6.889) 7.067 3.596 ( -2.975 0.000 4.352) 5.271 3.615 ( 2.107 0.000 2.249) 3.082 3.675 ( 3.097 -0.000 -0.856) 3.213 3.682 ( 5.470 0.000 2.914) 6.198 3.775 ( 3.079 -0.000 5.965) 6.713 3.789 ( 6.042 0.000 6.914) 9.182 3.857 ( 4.267 0.000 1.730) 4.604 3.872 ( 2.871 0.000 2.022) 3.511 3.990 ( 3.498 0.000 6.525) 7.404 4.013 ( 7.208 0.000 7.219) 10.201 4.066 ( 3.846 0.000 1.451) 4.111 4.099 ( 1.727 0.000 5.533) 5.796 4.172 ( 2.379 0.000 2.760) 3.644 4.190 ( -0.866 -0.000 -0.164) 0.882 4.274 ( 1.812 0.000 1.724) 2.501 4.288 ( -0.241 0.000 -1.300) 1.322 4.319 ( 0.029 0.000 -0.417) 0.418 4.459 ( 1.531 0.000 -2.541) 2.967 4.473 ( 2.201 0.000 0.399) 2.237 4.508 ( 3.568 -0.000 -2.030) 4.105 4.625 ( -1.460 0.000 -4.042) 4.298 4.676 ( -0.059 0.000 2.493) 2.494 4.678 ( -4.115 0.000 -0.544) 4.151 4.726 ( 3.423 0.000 -3.094) 4.614 4.826 ( -2.248 0.000 0.875) 2.413 4.832 ( -2.723 -0.000 -2.448) 3.661 4.945 ( -1.247 -0.000 -2.176) 2.508 4.946 ( 0.437 0.000 -3.515) 3.542 5.033 ( -1.292 0.000 -1.407) 1.910 5.064 ( -0.205 0.000 -2.784) 2.791 5.155 ( -4.494 0.000 -0.212) 4.499 5.258 ( -2.590 0.000 -4.126) 4.872 5.292 ( 0.672 0.000 -3.016) 3.090 5.349 ( -2.861 -0.000 -3.736) 4.705 5.399 ( -2.677 0.000 0.210) 2.686 5.495 ( 1.934 0.000 -2.589) 3.232 5.563 ( -3.078 0.000 1.478) 3.414 5.680 ( -2.011 0.000 -0.167) 2.018 5.816 ( -1.429 0.000 -1.918) 2.392 5.823 ( -1.143 0.000 5.371) 5.491 5.981 ( -5.949 0.000 -4.692) 7.576 6.101 ( -6.864 0.000 -8.767) 11.134 6.171 ( 2.302 0.000 2.052) 3.083 6.286 ( 6.826 0.000 -3.454) 7.650 ======================= Grid point 92 (52/75) ======================= q-point: (-0.43 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -5.949 0.000 -6.301) 8.666 1.077 ( -13.821 0.000 -6.848) 15.425 1.139 ( -12.395 0.000 9.026) 15.333 1.295 ( -14.520 0.000 -2.050) 14.664 1.332 ( -7.426 0.000 -0.732) 7.462 1.412 ( -1.117 0.000 1.707) 2.040 1.546 ( -3.605 0.000 -3.790) 5.231 1.722 ( -0.653 0.000 -4.180) 4.231 1.832 ( -2.060 0.000 -5.821) 6.175 1.905 ( 3.071 0.000 2.468) 3.940 2.002 ( 2.606 0.000 -2.525) 3.629 2.042 ( 4.125 0.000 -0.086) 4.126 2.170 ( 3.869 0.000 -3.657) 5.324 2.187 ( -0.312 -0.000 -1.051) 1.096 2.255 ( 2.209 0.000 -2.648) 3.449 2.288 ( -2.885 0.000 1.386) 3.200 2.298 ( 2.609 0.000 -5.218) 5.833 2.389 ( -2.881 0.000 -2.901) 4.089 2.437 ( 0.967 0.000 -1.961) 2.187 2.474 ( -2.815 0.000 -4.009) 4.899 2.535 ( -0.552 -0.000 -3.497) 3.540 2.556 ( 5.455 0.000 0.239) 5.460 2.646 ( -0.703 -0.000 -3.112) 3.190 2.682 ( -4.007 0.000 1.220) 4.188 2.778 ( -2.979 0.000 0.333) 2.998 2.829 ( -0.509 0.000 -1.860) 1.928 2.898 ( -4.333 -0.000 -1.156) 4.485 2.920 ( -0.429 0.000 1.443) 1.505 3.004 ( -0.485 -0.000 1.868) 1.930 3.021 ( 0.272 0.000 2.732) 2.745 3.102 ( 0.095 0.000 2.601) 2.603 3.151 ( -5.088 0.000 1.535) 5.314 3.171 ( -0.075 0.000 2.174) 2.176 3.216 ( -2.140 0.000 -0.157) 2.146 3.330 ( 1.183 0.000 2.717) 2.963 3.334 ( -1.375 -0.000 2.018) 2.442 3.384 ( 2.566 0.000 3.635) 4.449 3.463 ( 0.684 0.000 2.452) 2.546 3.553 ( -2.419 0.000 2.632) 3.575 3.555 ( -1.485 -0.000 0.757) 1.667 3.636 ( 1.790 0.000 0.590) 1.885 3.665 ( 1.690 0.000 -0.531) 1.771 3.740 ( 2.805 0.000 4.228) 5.074 3.783 ( 3.039 0.000 3.031) 4.293 3.859 ( 1.862 0.000 2.509) 3.124 3.885 ( 4.335 0.000 -0.085) 4.335 3.960 ( 3.477 0.000 3.676) 5.061 4.008 ( 6.177 0.000 5.451) 8.238 4.084 ( 0.710 0.000 4.809) 4.861 4.122 ( -0.398 0.000 2.840) 2.867 4.161 ( 5.518 0.000 5.667) 7.910 4.181 ( 3.687 0.000 1.660) 4.044 4.261 ( 5.561 0.000 8.009) 9.750 4.266 ( 3.427 -0.000 4.455) 5.621 4.313 ( 4.650 0.000 2.835) 5.446 4.326 ( 3.019 0.000 1.200) 3.249 4.359 ( 4.666 0.000 0.311) 4.676 4.458 ( -0.049 0.000 -2.332) 2.332 4.510 ( -1.214 0.000 -1.949) 2.296 4.520 ( 2.719 -0.000 -1.194) 2.970 4.583 ( -2.519 0.000 -3.910) 4.651 4.614 ( -0.623 0.000 -0.736) 0.964 4.661 ( -2.210 0.000 0.116) 2.213 4.744 ( -1.562 0.000 -8.404) 8.548 4.785 ( -2.805 0.000 1.171) 3.040 4.801 ( 2.478 0.000 2.303) 3.383 4.906 ( -0.640 0.000 -2.205) 2.296 4.920 ( 0.291 0.000 -2.878) 2.893 5.003 ( -3.204 0.000 -5.590) 6.443 5.023 ( -0.036 0.000 -0.512) 0.514 5.073 ( -5.135 0.000 2.575) 5.744 5.149 ( -4.828 0.000 -6.215) 7.870 5.258 ( -4.470 0.000 -3.100) 5.439 5.268 ( -1.162 0.000 -3.445) 3.636 5.362 ( -1.022 0.000 2.049) 2.290 5.486 ( -2.443 0.000 -3.322) 4.124 5.552 ( 0.858 0.000 0.393) 0.944 5.612 ( -2.813 0.000 -1.263) 3.084 5.753 ( -2.026 0.000 -0.734) 2.155 5.821 ( -3.055 0.000 4.770) 5.664 5.930 ( -0.632 0.000 1.649) 1.766 5.935 ( -3.894 -0.000 -8.806) 9.628 6.262 ( 7.528 0.000 -2.469) 7.922 6.399 ( 7.524 0.000 -3.649) 8.362 ======================= Grid point 94 (53/75) ======================= q-point: (-0.29 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -8.105 0.000 0.325) 8.112 0.874 ( -3.498 0.000 4.439) 5.652 0.980 ( -10.844 0.000 11.197) 15.587 1.055 ( -11.928 0.000 4.708) 12.823 1.252 ( -2.161 0.000 4.438) 4.936 1.424 ( 1.409 0.000 2.475) 2.848 1.494 ( -0.583 0.000 0.182) 0.610 1.680 ( -1.334 0.000 -2.215) 2.586 1.796 ( 0.605 0.000 -2.161) 2.245 1.901 ( -3.188 0.000 2.367) 3.971 2.006 ( -3.532 0.000 -1.820) 3.973 2.088 ( -0.099 -0.000 0.962) 0.967 2.111 ( -4.944 0.000 2.420) 5.505 2.172 ( -0.234 0.000 -2.874) 2.884 2.267 ( 0.530 -0.000 3.633) 3.672 2.296 ( -3.375 0.000 -0.284) 3.387 2.349 ( 3.795 0.000 -0.876) 3.894 2.369 ( 5.983 0.000 -4.393) 7.423 2.424 ( 1.543 0.000 -3.161) 3.518 2.483 ( 3.826 0.000 -0.874) 3.924 2.571 ( 5.539 0.000 -1.909) 5.859 2.602 ( -1.179 0.000 1.232) 1.705 2.627 ( 0.511 0.000 -0.572) 0.767 2.682 ( 3.381 0.000 0.433) 3.409 2.721 ( 0.056 -0.000 -4.085) 4.085 2.808 ( -0.154 0.000 0.415) 0.443 2.873 ( 1.111 0.000 -1.710) 2.040 2.946 ( 0.237 -0.000 1.252) 1.274 2.976 ( -3.694 -0.000 1.688) 4.062 3.002 ( -3.216 0.000 3.214) 4.547 3.073 ( -3.193 0.000 1.556) 3.552 3.088 ( -3.915 -0.000 1.837) 4.325 3.169 ( -2.472 0.000 -0.538) 2.530 3.175 ( 0.098 0.000 1.912) 1.915 3.349 ( 0.421 0.000 1.256) 1.325 3.363 ( -0.210 0.000 1.675) 1.688 3.447 ( 0.915 0.000 2.017) 2.215 3.462 ( -0.461 -0.000 0.663) 0.808 3.530 ( 0.036 0.000 0.333) 0.335 3.533 ( -1.338 0.000 0.274) 1.366 3.647 ( 0.216 0.000 -0.651) 0.686 3.656 ( -0.878 0.000 -3.944) 4.041 3.783 ( 0.930 0.000 0.056) 0.932 3.819 ( 0.575 0.000 -1.723) 1.816 3.890 ( 0.447 0.000 -1.334) 1.407 3.976 ( 2.892 0.000 0.906) 3.031 3.986 ( -1.965 0.000 1.463) 2.450 4.081 ( -0.210 0.000 0.286) 0.355 4.095 ( 0.038 0.000 0.275) 0.277 4.110 ( 0.653 0.000 -2.731) 2.808 4.220 ( -1.805 0.000 3.005) 3.505 4.256 ( 0.246 0.000 -1.713) 1.731 4.325 ( 0.590 0.000 0.790) 0.986 4.345 ( 0.073 0.000 -5.697) 5.697 4.396 ( 1.030 0.000 -0.369) 1.094 4.433 ( -0.007 -0.000 0.234) 0.234 4.437 ( 2.824 0.000 2.873) 4.028 4.467 ( 4.506 0.000 5.964) 7.475 4.505 ( 0.926 0.000 0.351) 0.990 4.538 ( 2.960 -0.000 -0.315) 2.977 4.542 ( -1.103 0.000 -0.969) 1.468 4.588 ( -1.010 0.000 -0.844) 1.317 4.600 ( -2.800 -0.000 -2.915) 4.042 4.688 ( 2.515 0.000 -5.429) 5.983 4.748 ( -1.092 0.000 1.438) 1.805 4.835 ( -0.712 0.000 0.356) 0.797 4.904 ( -2.842 0.000 -0.353) 2.864 4.931 ( 0.834 0.000 -0.040) 0.835 4.934 ( 2.699 -0.000 -1.322) 3.005 5.005 ( -1.081 -0.000 -0.697) 1.286 5.007 ( -4.472 0.000 5.959) 7.450 5.055 ( -0.703 0.000 -1.826) 1.957 5.192 ( -0.655 0.000 1.273) 1.432 5.236 ( -0.332 0.000 -0.624) 0.707 5.374 ( 0.850 0.000 1.061) 1.359 5.381 ( -5.264 -0.000 -1.835) 5.574 5.585 ( 1.884 0.000 0.700) 2.010 5.604 ( 0.857 0.000 0.242) 0.890 5.737 ( -0.690 0.000 2.973) 3.052 5.767 ( -3.200 0.000 0.836) 3.307 5.889 ( 1.929 0.000 -2.221) 2.942 5.949 ( 1.250 0.000 2.195) 2.527 6.396 ( 9.468 0.000 -5.941) 11.178 6.499 ( 5.900 0.000 -4.341) 7.325 ======================= Grid point 96 (54/75) ======================= q-point: (-0.14 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 2.195 0.000 12.246) 12.441 0.862 ( -2.929 -0.000 6.811) 7.414 0.952 ( -1.518 0.000 10.474) 10.584 0.983 ( 2.306 0.000 18.113) 18.259 1.275 ( -0.756 0.000 7.086) 7.126 1.482 ( 2.361 0.000 2.924) 3.759 1.538 ( 2.531 0.000 6.532) 7.005 1.668 ( 1.469 0.000 -1.552) 2.137 1.822 ( 2.843 -0.000 1.390) 3.164 1.825 ( -5.815 0.000 -2.712) 6.417 1.927 ( -2.456 0.000 10.825) 11.100 2.069 ( -1.101 -0.000 2.489) 2.722 2.087 ( -1.201 0.000 3.483) 3.684 2.168 ( -1.335 0.000 3.719) 3.952 2.254 ( -0.423 0.000 -0.286) 0.511 2.286 ( 0.154 0.000 -1.129) 1.140 2.400 ( 2.546 0.000 2.096) 3.298 2.450 ( 4.456 0.000 -3.759) 5.829 2.484 ( 4.831 0.000 1.181) 4.973 2.526 ( 2.029 0.000 -1.186) 2.350 2.615 ( -0.637 0.000 0.843) 1.057 2.620 ( 2.231 -0.000 1.282) 2.573 2.687 ( 1.485 0.000 -2.203) 2.657 2.732 ( 6.267 0.000 -3.293) 7.080 2.733 ( 0.178 -0.000 2.189) 2.196 2.799 ( -0.567 0.000 -2.118) 2.193 2.872 ( -1.956 -0.000 2.497) 3.172 2.902 ( -2.658 0.000 0.090) 2.659 2.955 ( -0.275 0.000 -1.094) 1.128 2.993 ( 1.576 0.000 -0.345) 1.614 3.037 ( -1.749 0.000 0.556) 1.835 3.068 ( 0.662 0.000 3.038) 3.110 3.143 ( 0.634 0.000 -0.558) 0.845 3.177 ( -0.301 0.000 -0.415) 0.513 3.338 ( -1.491 -0.000 -0.166) 1.500 3.338 ( -2.940 0.000 0.309) 2.956 3.426 ( -3.488 0.000 -1.389) 3.755 3.428 ( -2.166 -0.000 0.399) 2.203 3.500 ( -4.084 0.000 -5.016) 6.469 3.550 ( 2.352 0.000 0.707) 2.456 3.644 ( -0.727 0.000 -0.427) 0.844 3.645 ( 2.132 0.000 -2.446) 3.245 3.779 ( -1.068 0.000 -2.385) 2.613 3.802 ( -1.286 -0.000 -4.460) 4.641 3.826 ( -2.454 0.000 -4.802) 5.392 3.930 ( -3.406 0.000 -2.071) 3.986 3.953 ( -3.573 0.000 -4.516) 5.759 4.032 ( -1.368 0.000 -2.808) 3.124 4.064 ( -4.955 0.000 -7.500) 8.989 4.110 ( -2.493 0.000 -5.896) 6.401 4.175 ( -1.965 0.000 -0.947) 2.182 4.199 ( -0.819 0.000 -0.151) 0.832 4.266 ( -2.574 0.000 -6.463) 6.957 4.280 ( -6.080 0.000 -2.477) 6.565 4.315 ( -4.084 0.000 -1.588) 4.382 4.364 ( -3.005 0.000 -4.485) 5.399 4.398 ( -6.626 0.000 -6.471) 9.262 4.448 ( -1.876 0.000 -4.405) 4.787 4.547 ( 2.508 0.000 2.562) 3.586 4.570 ( -0.606 0.000 2.810) 2.875 4.597 ( 1.422 0.000 2.068) 2.510 4.612 ( 0.497 0.000 4.814) 4.840 4.649 ( 5.594 0.000 2.173) 6.002 4.731 ( 2.721 0.000 0.165) 2.726 4.787 ( 2.573 0.000 3.033) 3.977 4.845 ( -1.138 0.000 -1.426) 1.824 4.849 ( 2.164 0.000 4.722) 5.194 4.949 ( 2.154 0.000 -0.044) 2.155 4.988 ( 0.499 -0.000 3.083) 3.123 5.024 ( 1.442 -0.000 7.887) 8.017 5.026 ( 2.444 0.000 0.649) 2.529 5.060 ( 0.127 0.000 1.569) 1.575 5.243 ( 0.416 0.000 1.610) 1.663 5.245 ( 3.292 -0.000 3.820) 5.043 5.305 ( -2.084 0.000 1.085) 2.349 5.411 ( 2.737 0.000 0.331) 2.757 5.601 ( -0.959 0.000 0.919) 1.328 5.620 ( 0.667 0.000 0.244) 0.710 5.758 ( 1.285 0.000 0.983) 1.618 5.763 ( 0.979 -0.000 3.432) 3.568 5.952 ( 4.984 0.000 1.480) 5.199 6.004 ( 2.254 0.000 4.795) 5.298 6.505 ( 6.842 0.000 -9.160) 11.433 6.548 ( 2.471 -0.000 -4.998) 5.576 ======================= Grid point 105 (55/75) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -4.437 0.000 14.277) 14.950 1.080 ( -7.933 0.000 10.013) 12.775 1.269 ( 6.173 0.000 0.240) 6.177 1.432 ( 5.143 0.000 -8.880) 10.262 1.502 ( -0.299 0.000 1.178) 1.215 1.513 ( 2.856 0.000 -0.062) 2.857 1.733 ( 3.340 0.000 4.060) 5.257 1.752 ( 2.223 0.000 0.857) 2.383 1.782 ( 3.657 0.000 7.246) 8.117 1.839 ( -1.828 0.000 1.246) 2.212 2.076 ( 1.856 0.000 8.401) 8.603 2.079 ( -1.132 0.000 3.914) 4.075 2.170 ( 0.431 0.000 -0.497) 0.658 2.226 ( 1.337 0.000 -4.597) 4.787 2.319 ( 1.517 0.000 6.963) 7.127 2.374 ( 2.843 0.000 1.070) 3.038 2.411 ( -1.864 0.000 1.009) 2.119 2.494 ( 0.463 0.000 -6.195) 6.212 2.506 ( 0.755 0.000 4.446) 4.510 2.581 ( 4.165 0.000 -1.008) 4.286 2.618 ( 4.143 0.000 1.042) 4.272 2.637 ( -2.468 0.000 0.217) 2.477 2.719 ( -0.590 0.000 0.371) 0.697 2.751 ( 2.769 0.000 -2.122) 3.489 2.826 ( 4.020 0.000 2.515) 4.741 2.852 ( -5.842 0.000 -2.073) 6.199 2.903 ( 4.755 0.000 -2.031) 5.171 2.919 ( -5.318 0.000 -2.222) 5.763 2.976 ( -2.128 0.000 -0.642) 2.223 2.994 ( 2.419 0.000 -1.711) 2.963 3.095 ( -2.579 0.000 -0.701) 2.672 3.111 ( 3.163 0.000 2.775) 4.208 3.167 ( -0.293 0.000 1.921) 1.943 3.190 ( -0.558 0.000 -4.069) 4.107 3.233 ( -2.242 0.000 -3.763) 4.380 3.234 ( -3.529 0.000 -3.568) 5.018 3.338 ( 0.239 0.000 3.145) 3.154 3.355 ( -1.870 0.000 3.102) 3.621 3.430 ( 2.036 0.000 -3.794) 4.306 3.450 ( -4.402 0.000 -5.678) 7.184 3.558 ( -0.201 0.000 1.940) 1.950 3.566 ( -5.299 0.000 0.704) 5.346 3.663 ( -4.081 0.000 0.443) 4.105 3.678 ( -0.737 0.000 -1.047) 1.281 3.764 ( -0.131 0.000 0.016) 0.132 3.790 ( -3.879 0.000 -0.056) 3.880 3.821 ( 0.334 0.000 -0.825) 0.890 3.835 ( 2.330 0.000 -0.263) 2.345 3.907 ( -3.579 0.000 -4.474) 5.729 3.908 ( -2.421 0.000 -4.865) 5.434 4.006 ( 0.212 0.000 0.143) 0.256 4.049 ( 1.257 0.000 -3.424) 3.648 4.150 ( 0.562 0.000 -0.952) 1.106 4.151 ( 0.175 0.000 -1.196) 1.209 4.297 ( 2.067 0.000 0.736) 2.194 4.314 ( 1.349 0.000 -0.450) 1.423 4.360 ( -0.028 0.000 -2.023) 2.024 4.362 ( -2.611 0.000 -1.512) 3.017 4.433 ( -1.723 0.000 2.422) 2.972 4.486 ( 3.724 0.000 -2.606) 4.545 4.628 ( -0.164 0.000 0.557) 0.581 4.643 ( 0.710 0.000 -1.284) 1.467 4.712 ( 1.490 0.000 1.659) 2.230 4.724 ( -1.155 0.000 0.146) 1.164 4.868 ( 0.102 0.000 1.414) 1.418 4.877 ( 0.493 0.000 0.890) 1.018 4.971 ( -1.671 0.000 3.036) 3.466 5.003 ( -0.554 0.000 -0.015) 0.554 5.088 ( 1.005 0.000 1.864) 2.118 5.095 ( -0.152 0.000 0.535) 0.556 5.164 ( 2.641 0.000 2.542) 3.666 5.217 ( -0.698 0.000 -2.480) 2.577 5.343 ( -2.251 0.000 4.014) 4.602 5.376 ( 5.816 0.000 -0.004) 5.816 5.393 ( 0.091 0.000 1.323) 1.326 5.437 ( -0.776 0.000 -2.829) 2.934 5.637 ( -0.249 0.000 0.295) 0.386 5.639 ( 0.803 0.000 0.297) 0.856 5.757 ( 0.308 0.000 7.486) 7.493 5.918 ( 1.075 0.000 -8.952) 9.016 6.118 ( -0.535 0.000 3.209) 3.253 6.128 ( 2.259 0.000 4.258) 4.821 6.320 ( 0.645 0.000 0.908) 1.114 6.408 ( -1.475 0.000 -6.274) 6.445 ======================= Grid point 106 (56/75) ======================= q-point: ( 0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -0.468 0.000 11.438) 11.447 1.046 ( -2.029 0.000 9.473) 9.688 1.382 ( 8.042 0.000 -4.357) 9.147 1.456 ( 3.263 0.000 -11.001) 11.474 1.478 ( -1.894 0.000 -2.135) 2.854 1.512 ( -2.312 0.000 -4.025) 4.641 1.775 ( 1.149 0.000 -1.138) 1.618 1.782 ( 0.874 0.000 -2.957) 3.084 1.820 ( 3.561 0.000 -3.016) 4.667 1.895 ( 2.369 0.000 0.242) 2.381 2.079 ( -1.837 0.000 1.349) 2.279 2.102 ( -5.448 0.000 -1.735) 5.717 2.158 ( 1.676 0.000 2.362) 2.896 2.193 ( -0.752 0.000 -4.544) 4.605 2.333 ( -3.687 0.000 1.266) 3.898 2.344 ( -4.110 0.000 -5.999) 7.272 2.400 ( -0.168 0.000 2.616) 2.621 2.433 ( -2.889 0.000 -3.642) 4.649 2.509 ( -0.741 0.000 1.539) 1.708 2.567 ( -2.064 0.000 -4.694) 5.128 2.631 ( 3.490 0.000 -4.930) 6.040 2.640 ( -5.100 0.000 -2.447) 5.657 2.737 ( -3.645 0.000 -4.767) 6.001 2.749 ( 1.778 0.000 0.017) 1.779 2.802 ( 2.814 0.000 -0.775) 2.919 2.806 ( 1.506 0.000 2.463) 2.887 2.893 ( -3.314 0.000 -1.589) 3.675 2.966 ( 3.921 0.000 4.621) 6.060 2.975 ( 0.416 0.000 -0.687) 0.803 3.050 ( 4.037 0.000 -2.111) 4.555 3.085 ( -1.512 0.000 -0.975) 1.799 3.133 ( 1.128 0.000 2.023) 2.316 3.163 ( -1.294 0.000 -0.392) 1.352 3.175 ( 0.247 0.000 -0.882) 0.916 3.197 ( 0.781 0.000 7.249) 7.291 3.262 ( 5.810 0.000 2.110) 6.181 3.345 ( -0.715 0.000 3.463) 3.536 3.380 ( -2.937 0.000 2.339) 3.754 3.408 ( 2.214 0.000 -0.258) 2.229 3.436 ( 0.817 0.000 -0.582) 1.004 3.540 ( 2.373 0.000 8.274) 8.608 3.605 ( 1.709 0.000 3.001) 3.453 3.634 ( 0.618 0.000 3.590) 3.643 3.701 ( 0.059 0.000 4.356) 4.356 3.744 ( -0.646 0.000 1.609) 1.734 3.758 ( 0.269 0.000 1.966) 1.984 3.798 ( -0.579 0.000 0.488) 0.757 3.835 ( -1.530 0.000 1.984) 2.506 3.915 ( 2.664 0.000 3.560) 4.447 3.922 ( 3.922 0.000 0.251) 3.930 4.004 ( -0.176 0.000 0.814) 0.832 4.062 ( 1.940 0.000 -0.459) 1.993 4.178 ( 1.685 0.000 -0.155) 1.692 4.193 ( 3.974 0.000 -0.139) 3.977 4.295 ( -0.927 0.000 -2.469) 2.638 4.307 ( 1.152 0.000 -3.347) 3.540 4.348 ( 0.196 0.000 2.296) 2.304 4.384 ( 1.543 0.000 -0.298) 1.571 4.432 ( 2.103 0.000 -1.171) 2.407 4.514 ( 0.974 0.000 -2.987) 3.142 4.615 ( -1.310 0.000 0.537) 1.416 4.647 ( 0.300 0.000 -1.737) 1.763 4.690 ( -2.419 0.000 0.045) 2.419 4.746 ( 1.247 0.000 -0.159) 1.257 4.854 ( -1.968 0.000 0.658) 2.075 4.862 ( -1.493 0.000 -0.855) 1.721 4.946 ( -6.048 0.000 1.119) 6.150 4.972 ( 0.033 0.000 1.846) 1.846 5.094 ( -0.249 0.000 -0.898) 0.932 5.102 ( 0.261 0.000 0.248) 0.361 5.177 ( 0.251 0.000 -4.121) 4.129 5.190 ( -0.989 0.000 0.519) 1.117 5.330 ( -0.488 0.000 -0.900) 1.024 5.385 ( -2.087 0.000 -2.932) 3.599 5.405 ( -0.425 0.000 1.768) 1.818 5.487 ( 4.949 0.000 -1.662) 5.221 5.635 ( 0.173 0.000 -0.441) 0.474 5.653 ( 0.703 0.000 -0.508) 0.868 5.800 ( -0.646 0.000 6.368) 6.401 5.853 ( -1.659 0.000 -8.671) 8.828 6.098 ( -1.897 0.000 -0.690) 2.018 6.123 ( -3.888 0.000 -1.000) 4.015 6.326 ( -3.254 0.000 -5.005) 5.970 6.333 ( -1.247 0.000 4.694) 4.857 ======================= Grid point 107 (57/75) ======================= q-point: ( 0.29 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -0.758 0.000 -0.817) 1.115 1.102 ( 1.533 0.000 4.464) 4.720 1.365 ( -3.879 0.000 -5.268) 6.542 1.402 ( -2.949 0.000 -6.092) 6.768 1.469 ( 1.442 0.000 -6.766) 6.918 1.506 ( 7.678 0.000 -5.231) 9.291 1.721 ( -5.645 0.000 -6.283) 8.447 1.769 ( 0.933 0.000 -4.279) 4.380 1.859 ( -2.551 0.000 -5.318) 5.898 1.865 ( -2.899 0.000 -1.498) 3.263 1.987 ( -3.030 0.000 -1.848) 3.549 2.046 ( 4.450 0.000 -3.763) 5.827 2.134 ( -8.121 0.000 2.154) 8.401 2.187 ( -0.910 0.000 1.634) 1.871 2.229 ( -5.119 0.000 -8.897) 10.265 2.231 ( -1.288 0.000 -3.607) 3.830 2.384 ( -2.035 0.000 1.774) 2.700 2.385 ( 1.220 0.000 -6.928) 7.034 2.512 ( 0.528 0.000 2.547) 2.601 2.527 ( 0.991 0.000 -3.900) 4.024 2.575 ( 0.251 0.000 2.463) 2.476 2.614 ( -1.702 0.000 -4.469) 4.782 2.717 ( 5.288 0.000 -6.578) 8.440 2.757 ( -5.810 0.000 -2.131) 6.189 2.808 ( 1.616 0.000 2.796) 3.230 2.821 ( 0.163 0.000 -0.720) 0.738 2.890 ( 0.946 0.000 0.307) 0.995 2.914 ( -4.429 0.000 -2.023) 4.869 3.012 ( -1.470 0.000 0.583) 1.582 3.053 ( -3.873 0.000 -1.696) 4.228 3.078 ( -1.861 0.000 1.827) 2.608 3.133 ( 0.898 0.000 1.956) 2.152 3.142 ( 1.008 0.000 1.983) 2.225 3.235 ( 1.983 0.000 -1.390) 2.422 3.308 ( 3.379 0.000 10.104) 10.654 3.337 ( 0.191 0.000 1.668) 1.679 3.385 ( 5.444 0.000 0.283) 5.452 3.394 ( 3.198 0.000 4.506) 5.526 3.467 ( 3.125 0.000 1.154) 3.331 3.469 ( 1.711 0.000 2.926) 3.389 3.623 ( 1.311 0.000 6.271) 6.407 3.633 ( 0.445 0.000 0.319) 0.547 3.684 ( -1.836 0.000 3.832) 4.249 3.699 ( -0.765 0.000 2.124) 2.257 3.785 ( 4.576 0.000 3.695) 5.881 3.830 ( 2.555 0.000 4.790) 5.428 3.872 ( 3.487 0.000 6.997) 7.818 3.933 ( 9.778 0.000 10.737) 14.522 3.979 ( 2.872 0.000 0.243) 2.882 3.991 ( 3.106 0.000 2.126) 3.764 4.050 ( 3.381 0.000 7.805) 8.506 4.128 ( -0.110 0.000 8.380) 8.381 4.203 ( 2.584 0.000 4.047) 4.801 4.255 ( 1.374 0.000 2.232) 2.621 4.283 ( 0.421 0.000 -1.830) 1.878 4.332 ( 3.665 0.000 -3.243) 4.894 4.382 ( 3.347 0.000 -0.242) 3.355 4.403 ( 1.316 0.000 -1.336) 1.876 4.470 ( 1.934 0.000 -1.052) 2.202 4.498 ( 0.384 0.000 -3.117) 3.140 4.585 ( -2.705 0.000 -0.357) 2.728 4.617 ( -2.140 0.000 -1.159) 2.434 4.657 ( -0.974 0.000 -0.644) 1.168 4.724 ( -2.393 0.000 -3.670) 4.381 4.798 ( -6.254 0.000 1.503) 6.432 4.825 ( -0.674 0.000 -5.164) 5.208 4.860 ( -1.346 0.000 0.820) 1.576 4.964 ( -2.363 0.000 1.074) 2.596 5.059 ( -1.975 0.000 -2.519) 3.201 5.112 ( -0.431 0.000 -3.244) 3.273 5.156 ( -0.159 0.000 0.095) 0.185 5.182 ( 2.054 0.000 -4.223) 4.696 5.295 ( -1.179 0.000 -4.608) 4.757 5.332 ( -1.243 0.000 -2.728) 2.998 5.406 ( -1.006 0.000 3.070) 3.231 5.507 ( -0.670 0.000 -3.622) 3.683 5.609 ( -3.295 0.000 -3.333) 4.687 5.653 ( -0.497 0.000 -1.020) 1.134 5.792 ( 0.439 0.000 -3.020) 3.052 5.809 ( -1.702 0.000 3.037) 3.481 6.002 ( -6.944 0.000 -2.415) 7.352 6.047 ( -1.530 0.000 -7.328) 7.486 6.259 ( -0.503 0.000 -1.718) 1.790 6.326 ( -3.211 0.000 5.643) 6.493 ======================= Grid point 108 (58/75) ======================= q-point: ( 0.43 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -0.944 0.000 -9.376) 9.424 1.054 ( -7.418 0.000 -5.863) 9.455 1.320 ( -3.192 0.000 4.442) 5.470 1.352 ( 0.157 0.000 -0.898) 0.912 1.453 ( 1.461 0.000 -6.724) 6.881 1.472 ( -4.586 0.000 -7.718) 8.978 1.665 ( 1.546 0.000 -0.504) 1.626 1.715 ( -2.524 0.000 -6.324) 6.809 1.795 ( 0.945 0.000 -1.973) 2.187 1.801 ( -2.158 0.000 -1.430) 2.589 1.968 ( 0.082 0.000 0.950) 0.953 1.968 ( -8.573 0.000 3.444) 9.239 2.061 ( -3.801 0.000 -4.420) 5.830 2.115 ( 1.555 0.000 -4.876) 5.118 2.215 ( 0.779 0.000 0.673) 1.029 2.237 ( 1.777 0.000 0.218) 1.790 2.366 ( -0.721 0.000 0.166) 0.740 2.375 ( 2.201 0.000 -4.988) 5.452 2.536 ( 1.132 0.000 -0.786) 1.378 2.552 ( 0.090 0.000 4.003) 4.004 2.597 ( 2.072 0.000 -2.458) 3.215 2.606 ( -0.380 0.000 0.507) 0.634 2.643 ( -4.112 0.000 -0.058) 4.113 2.750 ( 0.124 0.000 -7.466) 7.467 2.778 ( -2.863 0.000 0.844) 2.985 2.797 ( -6.587 0.000 2.833) 7.170 2.882 ( 1.906 0.000 -1.093) 2.197 2.892 ( 5.880 0.000 -3.932) 7.074 2.947 ( -4.104 0.000 2.118) 4.618 2.968 ( -3.617 0.000 0.091) 3.618 3.088 ( 2.062 0.000 0.255) 2.078 3.140 ( -0.822 0.000 -1.217) 1.469 3.180 ( 1.041 0.000 2.524) 2.730 3.243 ( 0.448 0.000 -1.566) 1.628 3.379 ( 2.873 0.000 0.556) 2.926 3.413 ( 1.985 0.000 4.140) 4.591 3.445 ( -1.285 0.000 1.334) 1.853 3.451 ( 1.582 0.000 -0.157) 1.589 3.518 ( 3.693 0.000 3.075) 4.806 3.542 ( 1.766 0.000 2.617) 3.157 3.634 ( -1.557 0.000 2.221) 2.712 3.641 ( 0.590 0.000 0.633) 0.866 3.708 ( 0.391 0.000 2.525) 2.555 3.720 ( 2.100 0.000 -0.683) 2.209 3.873 ( -0.823 0.000 3.415) 3.513 3.877 ( 3.736 0.000 0.653) 3.792 4.013 ( 4.413 0.000 7.797) 8.959 4.052 ( 2.714 0.000 5.333) 5.984 4.072 ( 6.956 0.000 3.417) 7.750 4.156 ( -0.397 0.000 8.212) 8.221 4.161 ( 1.466 0.000 5.456) 5.649 4.194 ( 6.921 0.000 8.174) 10.711 4.266 ( -0.027 0.000 2.318) 2.318 4.300 ( 3.152 0.000 5.665) 6.483 4.338 ( 3.488 0.000 5.494) 6.508 4.370 ( -0.017 0.000 -1.287) 1.287 4.417 ( 2.267 0.000 -0.183) 2.275 4.428 ( 0.873 0.000 1.506) 1.741 4.491 ( -3.800 0.000 -2.785) 4.711 4.503 ( 3.085 0.000 -1.408) 3.391 4.513 ( 1.281 0.000 -4.160) 4.353 4.571 ( -2.104 0.000 -1.573) 2.627 4.634 ( -1.398 0.000 -1.783) 2.265 4.646 ( -3.392 0.000 -1.385) 3.664 4.722 ( -1.080 0.000 0.089) 1.084 4.764 ( -0.826 0.000 -7.718) 7.763 4.859 ( -0.630 0.000 0.581) 0.857 4.918 ( -2.906 0.000 0.578) 2.963 5.016 ( -0.784 0.000 -0.317) 0.846 5.046 ( -2.478 0.000 -1.460) 2.876 5.151 ( -0.893 0.000 -7.521) 7.574 5.151 ( -2.042 0.000 -5.057) 5.453 5.269 ( 0.179 0.000 -0.818) 0.838 5.325 ( 1.395 0.000 -2.557) 2.913 5.398 ( -2.021 0.000 2.167) 2.963 5.440 ( -1.277 0.000 -5.677) 5.819 5.534 ( -1.584 0.000 -0.089) 1.587 5.607 ( -3.262 0.000 -2.387) 4.042 5.781 ( -1.858 0.000 0.578) 1.945 5.803 ( 1.013 0.000 -1.003) 1.425 5.894 ( -3.630 0.000 0.771) 3.711 5.953 ( -2.785 0.000 -6.427) 7.005 6.293 ( -3.615 0.000 4.345) 5.652 6.297 ( 5.246 0.000 -2.505) 5.813 ======================= Grid point 109 (59/75) ======================= q-point: (-0.43 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -8.013 0.000 0.370) 8.022 0.977 ( 4.876 0.000 0.145) 4.878 1.258 ( -7.037 0.000 7.571) 10.336 1.316 ( -4.185 0.000 5.311) 6.761 1.425 ( 1.760 0.000 -5.161) 5.453 1.453 ( 3.050 0.000 -3.795) 4.869 1.646 ( -1.913 0.000 1.258) 2.289 1.659 ( -5.102 0.000 1.299) 5.265 1.764 ( -2.379 0.000 0.844) 2.525 1.765 ( -0.143 0.000 0.358) 0.385 1.963 ( 4.697 0.000 0.001) 4.697 1.985 ( -0.648 0.000 4.744) 4.788 2.073 ( -0.852 0.000 -4.604) 4.683 2.074 ( 5.809 0.000 -2.331) 6.259 2.226 ( 0.041 0.000 1.907) 1.908 2.242 ( -0.010 0.000 -1.568) 1.568 2.326 ( -4.463 0.000 -1.625) 4.749 2.389 ( 0.166 0.000 -1.576) 1.585 2.480 ( -9.653 0.000 5.878) 11.302 2.542 ( -4.114 0.000 3.870) 5.648 2.554 ( -0.668 0.000 4.202) 4.255 2.631 ( 2.226 0.000 -3.098) 3.815 2.653 ( 2.878 0.000 0.515) 2.924 2.660 ( -1.165 0.000 -2.442) 2.706 2.771 ( -0.276 0.000 2.773) 2.787 2.812 ( 3.747 0.000 -0.231) 3.754 2.871 ( 1.886 0.000 -1.679) 2.525 2.897 ( -1.476 0.000 -1.190) 1.897 2.977 ( 3.939 0.000 -1.049) 4.076 3.035 ( 9.237 0.000 -5.854) 10.936 3.113 ( -1.129 0.000 -2.585) 2.821 3.123 ( 1.952 0.000 0.273) 1.971 3.191 ( -1.806 0.000 3.052) 3.546 3.228 ( -0.902 0.000 -1.668) 1.896 3.388 ( -2.898 0.000 0.291) 2.912 3.417 ( -0.365 0.000 2.158) 2.189 3.461 ( 0.388 0.000 -0.754) 0.848 3.466 ( 0.704 0.000 -1.097) 1.304 3.534 ( -1.696 0.000 1.180) 2.067 3.549 ( -3.638 0.000 1.638) 3.990 3.640 ( 1.768 0.000 1.808) 2.529 3.686 ( 0.677 0.000 -1.287) 1.455 3.703 ( 1.032 0.000 -0.383) 1.101 3.753 ( 2.417 0.000 -2.878) 3.758 3.850 ( -2.456 0.000 1.974) 3.151 3.916 ( 0.340 0.000 -1.020) 1.075 4.091 ( -1.772 0.000 -0.573) 1.863 4.110 ( 2.079 0.000 3.523) 4.090 4.147 ( -5.083 0.000 -1.142) 5.210 4.163 ( -2.484 0.000 2.857) 3.786 4.227 ( 2.273 0.000 2.447) 3.340 4.254 ( -0.404 0.000 -1.995) 2.036 4.316 ( 2.805 0.000 4.172) 5.027 4.318 ( 0.115 0.000 1.150) 1.156 4.378 ( 0.943 0.000 1.422) 1.706 4.379 ( 0.098 0.000 -4.552) 4.553 4.451 ( 0.356 0.000 1.586) 1.626 4.458 ( -0.868 0.000 -0.039) 0.869 4.475 ( -3.480 0.000 -3.010) 4.601 4.475 ( -1.475 0.000 2.782) 3.149 4.514 ( -2.835 0.000 -5.516) 6.202 4.522 ( 2.614 0.000 1.575) 3.052 4.618 ( 0.743 0.000 -1.846) 1.990 4.623 ( 3.265 0.000 0.783) 3.358 4.730 ( 0.909 0.000 -1.586) 1.828 4.745 ( 1.506 0.000 -2.557) 2.967 4.854 ( 1.014 0.000 2.734) 2.916 4.877 ( -0.300 0.000 -1.106) 1.146 5.007 ( -3.368 0.000 1.643) 3.747 5.049 ( 2.685 0.000 4.647) 5.367 5.072 ( -0.563 0.000 -2.272) 2.340 5.104 ( 0.332 0.000 -4.846) 4.858 5.271 ( -0.563 0.000 2.864) 2.919 5.283 ( -2.878 0.000 -2.208) 3.627 5.362 ( -2.255 0.000 1.551) 2.737 5.444 ( 2.122 0.000 -1.959) 2.888 5.555 ( 0.207 0.000 -1.591) 1.604 5.563 ( 3.813 0.000 1.117) 3.973 5.768 ( -0.928 0.000 2.317) 2.496 5.804 ( 0.631 0.000 -1.954) 2.054 5.859 ( -2.163 0.000 3.803) 4.375 5.911 ( 1.440 0.000 -1.501) 2.080 6.261 ( -1.387 0.000 1.140) 1.796 6.384 ( 6.205 0.000 -4.849) 7.875 ======================= Grid point 110 (60/75) ======================= q-point: (-0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 2.996 0.000 14.703) 15.005 1.066 ( -2.590 0.000 6.588) 7.079 1.223 ( 0.848 0.000 11.030) 11.063 1.279 ( -5.044 0.000 6.956) 8.593 1.428 ( 1.713 0.000 -3.074) 3.519 1.507 ( 1.059 0.000 -3.406) 3.567 1.589 ( -0.377 0.000 7.325) 7.335 1.653 ( -0.416 0.000 6.936) 6.949 1.765 ( 0.537 0.000 3.671) 3.710 1.798 ( 1.199 0.000 2.501) 2.773 1.929 ( -9.102 0.000 9.021) 12.815 2.009 ( 1.528 0.000 -2.875) 3.256 2.112 ( 5.411 0.000 2.110) 5.807 2.143 ( -1.488 0.000 1.889) 2.405 2.226 ( 1.251 0.000 -2.140) 2.479 2.245 ( 2.179 0.000 -3.409) 4.046 2.292 ( 4.969 0.000 1.524) 5.198 2.390 ( 1.759 0.000 0.669) 1.882 2.436 ( -0.534 0.000 6.079) 6.102 2.508 ( -2.082 0.000 3.319) 3.918 2.558 ( -1.030 0.000 0.130) 1.038 2.581 ( -1.313 0.000 0.102) 1.317 2.665 ( -0.883 0.000 0.643) 1.092 2.739 ( 4.992 0.000 -0.586) 5.027 2.799 ( 1.188 0.000 1.801) 2.157 2.863 ( 1.774 0.000 -2.838) 3.347 2.884 ( 0.987 0.000 0.254) 1.019 2.930 ( 3.860 0.000 -2.984) 4.879 3.028 ( 1.530 0.000 0.757) 1.707 3.063 ( -2.202 0.000 -2.242) 3.143 3.129 ( 4.064 0.000 -5.489) 6.830 3.139 ( -2.444 0.000 2.983) 3.856 3.187 ( -2.125 0.000 -2.658) 3.403 3.199 ( 2.921 0.000 0.477) 2.959 3.351 ( -1.485 0.000 0.422) 1.544 3.404 ( -1.525 0.000 0.133) 1.530 3.414 ( -4.056 0.000 -2.385) 4.705 3.437 ( -2.783 0.000 0.679) 2.865 3.486 ( -2.439 0.000 -0.491) 2.488 3.533 ( 0.019 0.000 -3.329) 3.329 3.653 ( -1.472 0.000 -1.311) 1.971 3.667 ( 0.114 0.000 1.104) 1.109 3.725 ( 0.985 0.000 -1.844) 2.090 3.759 ( 1.029 0.000 -3.780) 3.918 3.837 ( -0.101 0.000 -1.852) 1.855 3.902 ( -0.368 0.000 -1.264) 1.316 3.961 ( -7.472 0.000 -3.511) 8.256 4.039 ( -3.714 0.000 -6.280) 7.296 4.065 ( -4.988 0.000 -4.761) 6.895 4.097 ( -7.736 0.000 -2.038) 8.000 4.197 ( -3.469 0.000 -5.716) 6.686 4.236 ( -2.285 0.000 0.441) 2.327 4.273 ( -3.822 0.000 -3.360) 5.089 4.291 ( -1.498 0.000 -6.185) 6.364 4.331 ( -3.645 0.000 -6.120) 7.124 4.339 ( -4.493 0.000 -1.638) 4.782 4.404 ( -1.711 0.000 -4.652) 4.957 4.405 ( -1.041 0.000 0.284) 1.079 4.451 ( -0.539 0.000 -2.880) 2.930 4.471 ( -0.751 0.000 1.280) 1.484 4.547 ( 0.527 0.000 4.140) 4.173 4.564 ( 6.424 0.000 3.812) 7.470 4.648 ( 1.490 0.000 0.795) 1.689 4.670 ( 1.544 0.000 0.206) 1.558 4.758 ( 3.330 0.000 0.679) 3.399 4.802 ( 5.681 0.000 1.931) 6.001 4.888 ( 0.050 0.000 -2.567) 2.568 4.935 ( 3.363 0.000 4.573) 5.676 4.971 ( -0.680 0.000 6.342) 6.379 5.089 ( 0.553 0.000 -0.116) 0.565 5.105 ( 1.387 0.000 2.738) 3.069 5.138 ( 2.604 0.000 1.665) 3.091 5.235 ( -0.940 0.000 1.394) 1.681 5.279 ( 0.287 0.000 2.772) 2.787 5.385 ( 1.279 0.000 6.674) 6.795 5.461 ( 0.951 0.000 -1.755) 1.997 5.584 ( 2.501 0.000 0.206) 2.510 5.630 ( 1.540 0.000 1.027) 1.852 5.743 ( -3.759 0.000 2.761) 4.664 5.843 ( 4.699 0.000 -0.503) 4.726 5.889 ( 1.988 0.000 8.025) 8.267 5.967 ( 4.638 0.000 0.045) 4.638 6.264 ( 1.788 0.000 -1.693) 2.463 6.447 ( 4.324 0.000 -6.549) 7.847 ======================= Grid point 111 (61/75) ======================= q-point: (-0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -7.924 0.000 11.712) 14.141 1.072 ( 6.799 0.000 11.817) 13.633 1.212 ( -6.952 0.000 8.827) 11.236 1.370 ( 5.152 0.000 5.733) 7.708 1.462 ( 3.226 0.000 0.078) 3.227 1.466 ( 1.508 0.000 -6.034) 6.219 1.679 ( -3.196 0.000 7.752) 8.385 1.690 ( 2.570 0.000 6.774) 7.246 1.733 ( -2.763 0.000 6.263) 6.845 1.831 ( -0.148 0.000 4.795) 4.798 1.962 ( 3.467 0.000 11.162) 11.688 2.051 ( 2.875 0.000 1.806) 3.395 2.140 ( 0.394 0.000 3.959) 3.978 2.198 ( 2.723 0.000 -0.545) 2.777 2.256 ( 2.099 0.000 0.111) 2.102 2.289 ( 4.349 0.000 -0.152) 4.352 2.394 ( 2.821 0.000 2.819) 3.989 2.466 ( 0.070 0.000 3.622) 3.623 2.470 ( 5.488 0.000 -0.306) 5.497 2.530 ( 0.155 0.000 -2.137) 2.142 2.543 ( 3.259 0.000 2.656) 4.204 2.613 ( 2.941 0.000 2.232) 3.692 2.675 ( 1.881 0.000 2.049) 2.782 2.759 ( -2.479 0.000 0.413) 2.513 2.813 ( -0.523 0.000 -0.085) 0.530 2.863 ( 1.406 0.000 -4.289) 4.513 2.922 ( 2.884 0.000 -3.463) 4.507 2.951 ( 0.486 0.000 -1.024) 1.134 3.019 ( -2.610 0.000 1.820) 3.182 3.027 ( -1.609 0.000 -0.002) 1.609 3.072 ( -3.220 0.000 -3.990) 5.127 3.140 ( -0.633 0.000 2.315) 2.400 3.181 ( 2.352 0.000 -1.152) 2.619 3.214 ( -1.764 0.000 -3.791) 4.181 3.288 ( -4.053 0.000 -0.668) 4.107 3.338 ( -5.405 0.000 -1.698) 5.666 3.365 ( -0.482 0.000 -0.130) 0.499 3.410 ( -0.448 0.000 -2.401) 2.442 3.443 ( -4.293 0.000 -6.557) 7.838 3.470 ( 1.472 0.000 -1.187) 1.891 3.623 ( -1.448 0.000 -0.251) 1.470 3.662 ( -3.191 0.000 -0.093) 3.192 3.742 ( -0.170 0.000 -0.811) 0.828 3.750 ( -0.014 0.000 -6.493) 6.493 3.765 ( -2.846 0.000 -5.814) 6.473 3.802 ( -3.960 0.000 -2.354) 4.607 3.876 ( -7.809 0.000 -5.217) 9.392 3.901 ( -3.417 0.000 -3.903) 5.187 3.962 ( 0.853 0.000 -1.870) 2.055 3.980 ( -2.175 0.000 -2.870) 3.601 4.088 ( -2.322 0.000 -7.504) 7.855 4.101 ( -9.132 0.000 -6.054) 10.957 4.188 ( -4.101 0.000 -0.232) 4.107 4.199 ( -3.390 0.000 -3.021) 4.541 4.277 ( 1.568 0.000 -1.606) 2.245 4.281 ( -0.831 0.000 -1.134) 1.406 4.397 ( 0.289 0.000 -2.466) 2.483 4.398 ( -0.048 0.000 -0.894) 0.895 4.440 ( -1.217 0.000 3.016) 3.252 4.445 ( 0.499 0.000 -2.031) 2.091 4.603 ( 1.660 0.000 3.123) 3.537 4.640 ( 1.203 0.000 -1.322) 1.787 4.677 ( 1.194 0.000 1.554) 1.959 4.718 ( 1.553 0.000 2.355) 2.821 4.830 ( 2.778 0.000 1.876) 3.352 4.854 ( 0.127 0.000 0.473) 0.489 4.939 ( 4.597 0.000 2.327) 5.153 4.992 ( 1.336 0.000 0.413) 1.399 5.037 ( 2.178 0.000 5.312) 5.741 5.092 ( -0.180 0.000 0.777) 0.798 5.112 ( -0.476 0.000 2.229) 2.279 5.198 ( 3.042 0.000 0.227) 3.050 5.284 ( 3.479 0.000 2.757) 4.439 5.320 ( 1.260 0.000 3.890) 4.089 5.420 ( -2.896 0.000 5.132) 5.893 5.459 ( 0.344 0.000 -2.753) 2.774 5.621 ( 0.758 0.000 1.318) 1.520 5.640 ( -0.362 0.000 0.730) 0.814 5.713 ( -1.006 0.000 5.301) 5.395 5.917 ( 4.155 0.000 -5.265) 6.707 6.013 ( 4.978 0.000 7.994) 9.418 6.063 ( 3.923 0.000 3.359) 5.164 6.295 ( 2.408 0.000 -1.728) 2.964 6.454 ( 1.187 0.000 -6.913) 7.014 ======================= Grid point 112 (62/75) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -3.759 1.155 12.770) 13.361 1.111 ( 0.631 -0.917 -1.144) 1.597 1.292 ( 1.924 2.049 6.823) 7.380 1.378 ( 3.012 -6.972 0.480) 7.610 1.469 ( 0.141 0.177 2.998) 3.007 1.549 ( 1.055 4.563 -5.188) 6.989 1.691 ( 1.096 -4.187 5.459) 6.967 1.757 ( 2.719 0.971 1.849) 3.429 1.811 ( 3.330 2.306 4.985) 6.423 1.869 ( 1.212 1.931 -1.471) 2.713 2.034 ( -2.215 -0.461 5.606) 6.045 2.133 ( 1.218 -2.622 -3.506) 4.544 2.198 ( 1.586 6.539 5.029) 8.400 2.277 ( 2.285 3.302 2.993) 5.009 2.311 ( 1.482 0.244 3.975) 4.249 2.374 ( -1.734 1.184 0.903) 2.286 2.434 ( 3.481 -1.692 1.412) 4.120 2.463 ( -0.997 0.953 -0.222) 1.397 2.543 ( -0.358 0.872 -0.831) 1.257 2.560 ( 1.784 -0.816 -1.691) 2.590 2.623 ( 2.051 -0.482 2.365) 3.167 2.646 ( -0.908 1.407 -0.574) 1.770 2.724 ( 0.343 0.451 0.298) 0.640 2.762 ( 4.713 -0.081 0.477) 4.738 2.806 ( 1.256 -2.592 -1.391) 3.199 2.839 ( -2.294 -0.131 -0.828) 2.442 2.875 ( 0.815 -1.730 1.113) 2.212 2.917 ( -3.205 -0.585 -0.699) 3.332 2.943 ( -0.092 -2.728 2.000) 3.384 2.984 ( -0.436 -1.513 -2.587) 3.029 3.069 ( 3.692 -0.123 -0.170) 3.698 3.098 ( -2.048 -0.879 -1.655) 2.776 3.134 ( 0.364 -1.234 -0.668) 1.450 3.165 ( -3.934 -1.691 -3.033) 5.247 3.195 ( -0.116 -1.814 -0.870) 2.015 3.275 ( -0.989 -1.611 -4.136) 4.548 3.333 ( -0.205 0.837 3.606) 3.707 3.396 ( -0.437 2.640 1.107) 2.896 3.428 ( -3.872 -1.667 -1.347) 4.425 3.453 ( -0.486 0.536 -1.029) 1.258 3.516 ( -0.003 -0.083 -0.331) 0.341 3.591 ( -4.233 -0.284 -5.949) 7.307 3.644 ( -2.123 -0.583 1.321) 2.568 3.688 ( -1.770 -0.573 -1.720) 2.534 3.734 ( -0.825 -0.196 -1.062) 1.359 3.750 ( 0.964 -2.646 -2.902) 4.044 3.811 ( -0.433 -1.829 -3.743) 4.189 3.845 ( -3.545 -0.930 -5.044) 6.235 3.891 ( 0.569 2.372 2.184) 3.274 3.935 ( 1.015 -1.980 -0.668) 2.324 3.981 ( -3.387 0.245 -1.475) 3.702 4.039 ( -0.556 -2.139 -4.812) 5.295 4.170 ( -2.718 3.223 0.585) 4.256 4.188 ( 2.064 3.648 -0.809) 4.269 4.266 ( 0.952 -1.468 0.353) 1.786 4.292 ( -0.140 -1.348 -1.527) 2.041 4.390 ( -2.018 -0.086 2.618) 3.307 4.433 ( 2.613 1.098 -1.451) 3.184 4.480 ( -2.124 7.650 2.957) 8.472 4.538 ( 0.909 4.731 -1.562) 5.065 4.623 ( -0.434 -0.066 0.307) 0.536 4.640 ( 1.218 1.440 -1.838) 2.633 4.732 ( -1.820 1.233 1.998) 2.970 4.760 ( 1.423 0.800 -0.726) 1.787 4.877 ( -0.491 1.386 2.589) 2.977 4.899 ( 2.165 1.595 0.536) 2.742 4.941 ( -1.715 -1.507 2.447) 3.347 4.981 ( 1.259 -2.030 -1.656) 2.907 5.080 ( 0.396 -0.735 2.709) 2.834 5.100 ( -0.844 -0.994 0.421) 1.370 5.162 ( 1.792 0.265 3.203) 3.680 5.225 ( 0.807 0.710 -2.732) 2.936 5.282 ( -0.143 -4.309 4.359) 6.131 5.339 ( 0.986 -2.503 -1.030) 2.881 5.396 ( 2.987 -1.100 0.952) 3.323 5.421 ( -0.712 -1.266 -2.034) 2.500 5.625 ( -0.480 -0.262 1.161) 1.283 5.639 ( 1.118 0.249 -0.365) 1.202 5.765 ( 0.618 0.646 5.075) 5.153 5.870 ( 0.958 -3.953 -5.259) 6.649 6.124 ( 0.176 1.235 5.564) 5.703 6.197 ( 2.050 3.733 1.699) 4.585 6.316 ( -0.429 0.464 -0.277) 0.690 6.417 ( -0.885 0.280 -6.993) 7.054 ======================= Grid point 113 (63/75) ======================= q-point: ( 0.14 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 2.165 2.767 7.885) 8.633 1.128 ( 0.883 2.807 1.859) 3.481 1.357 ( 4.632 -0.882 -2.796) 5.482 1.428 ( 2.397 -4.794 -3.727) 6.529 1.478 ( 1.636 2.180 -1.768) 3.248 1.562 ( 0.785 4.095 -3.346) 5.346 1.712 ( -1.073 -2.313 0.414) 2.583 1.766 ( 0.270 -1.232 -3.791) 3.995 1.830 ( 0.874 -1.656 -3.065) 3.592 1.899 ( 0.567 -0.132 -4.027) 4.069 2.040 ( -1.133 -1.408 4.735) 5.068 2.108 ( -2.683 -1.165 -2.210) 3.666 2.191 ( -4.119 4.351 -3.095) 6.743 2.267 ( -1.254 2.338 0.680) 2.739 2.294 ( -3.438 0.135 -1.484) 3.748 2.359 ( -3.503 -1.358 -0.517) 3.793 2.399 ( -1.369 2.569 -0.564) 2.965 2.469 ( -2.955 2.058 -5.352) 6.450 2.525 ( 2.374 -0.397 1.435) 2.802 2.547 ( -1.029 -1.230 -1.578) 2.250 2.601 ( -3.530 -0.114 -3.633) 5.067 2.653 ( -2.271 0.059 -1.310) 2.623 2.712 ( -1.696 -1.511 -1.408) 2.672 2.745 ( -0.303 -2.624 -0.647) 2.720 2.803 ( 2.218 3.267 -4.826) 6.236 2.835 ( 0.128 0.477 1.280) 1.372 2.905 ( -1.416 0.777 0.104) 1.619 2.934 ( 1.028 -2.725 1.403) 3.233 2.974 ( 3.428 0.340 1.214) 3.652 3.034 ( 3.102 -4.009 2.148) 5.505 3.047 ( 2.861 -0.571 -1.576) 3.316 3.087 ( -0.636 -2.040 -0.368) 2.168 3.147 ( 1.219 0.135 0.976) 1.567 3.164 ( 1.734 -1.434 2.461) 3.334 3.216 ( 0.198 -0.732 2.472) 2.585 3.255 ( 4.609 -0.953 1.242) 4.868 3.364 ( -0.250 2.364 1.174) 2.651 3.388 ( 1.494 1.663 2.264) 3.182 3.455 ( 0.328 1.045 1.376) 1.759 3.484 ( 1.722 4.378 -0.419) 4.723 3.545 ( 4.894 0.305 5.360) 7.265 3.569 ( 2.007 -2.335 2.606) 4.034 3.609 ( -1.364 -0.851 3.065) 3.461 3.683 ( 0.511 -1.403 3.205) 3.536 3.735 ( 1.900 0.384 3.314) 3.839 3.763 ( 0.051 -3.452 0.166) 3.457 3.787 ( -0.241 -0.668 -0.542) 0.894 3.816 ( 0.514 -1.187 2.419) 2.743 3.912 ( -0.331 0.840 -0.353) 0.969 3.918 ( 0.553 0.065 0.407) 0.690 3.991 ( 1.767 -2.352 4.684) 5.531 4.053 ( 4.008 -1.905 -0.562) 4.473 4.140 ( -0.870 2.008 0.628) 2.277 4.226 ( 1.855 1.907 0.858) 2.795 4.286 ( 0.754 -0.598 -1.559) 1.832 4.299 ( 1.491 -2.354 0.471) 2.826 4.357 ( -1.841 0.191 -0.024) 1.851 4.433 ( -2.573 3.397 1.858) 4.649 4.479 ( 1.521 3.213 -0.443) 3.583 4.529 ( -1.837 0.513 -0.524) 1.978 4.603 ( 0.564 2.049 -1.849) 2.817 4.651 ( -1.678 -0.535 0.424) 1.811 4.696 ( -0.868 2.012 -0.447) 2.236 4.771 ( -0.935 0.826 0.420) 1.316 4.860 ( -2.111 0.832 0.276) 2.285 4.889 ( -2.246 0.371 -0.029) 2.276 4.944 ( -0.006 -0.044 -0.620) 0.622 4.974 ( -1.099 0.556 -1.173) 1.700 5.071 ( -1.606 -1.545 0.562) 2.298 5.093 ( -0.376 -0.341 -0.250) 0.566 5.176 ( 0.019 -1.013 -1.070) 1.474 5.235 ( 1.664 3.718 -2.074) 4.571 5.298 ( 0.269 -2.577 1.067) 2.802 5.354 ( -0.291 -1.874 -2.620) 3.234 5.390 ( -0.296 -0.411 -2.575) 2.625 5.457 ( 3.343 -4.044 -0.974) 5.337 5.622 ( -0.291 0.011 -0.051) 0.295 5.667 ( 2.184 0.940 -0.582) 2.448 5.776 ( -1.428 -1.713 -0.344) 2.256 5.868 ( 1.726 0.320 -1.730) 2.465 6.109 ( -3.650 1.673 0.909) 4.117 6.168 ( -3.808 3.120 -4.492) 6.665 6.307 ( -2.748 -1.125 4.439) 5.341 6.338 ( -3.151 -0.270 -3.696) 4.865 ======================= Grid point 114 (64/75) ======================= q-point: ( 0.29 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -0.856 0.662 -3.495) 3.659 1.168 ( 2.541 5.143 0.274) 5.743 1.383 ( -0.557 0.649 -5.857) 5.919 1.426 ( 2.914 0.474 -7.202) 7.784 1.482 ( -1.879 5.135 -0.298) 5.476 1.546 ( 3.512 3.055 -6.871) 8.299 1.673 ( -4.714 -3.445 -4.668) 7.475 1.742 ( 1.021 -3.454 -2.969) 4.668 1.807 ( -3.186 -5.259 -7.484) 9.686 1.833 ( -1.112 -2.598 -0.866) 2.956 2.014 ( -4.735 0.325 -1.192) 4.894 2.042 ( 0.871 2.245 -2.696) 3.615 2.109 ( -4.251 -0.606 1.460) 4.535 2.165 ( -5.520 -1.942 1.749) 6.108 2.248 ( -2.550 0.505 -6.481) 6.983 2.288 ( -2.330 1.770 -1.601) 3.335 2.381 ( -2.332 0.894 -1.057) 2.712 2.403 ( 0.828 1.235 -5.655) 5.847 2.472 ( -1.851 -0.781 -2.883) 3.514 2.520 ( -0.295 -0.811 -2.752) 2.884 2.556 ( -1.361 -1.634 0.594) 2.208 2.606 ( -1.826 -1.195 -0.881) 2.354 2.713 ( 2.126 -1.207 -3.245) 4.063 2.730 ( -2.189 -2.437 -0.931) 3.406 2.788 ( 1.758 0.627 -0.704) 1.995 2.842 ( -0.032 0.259 -0.300) 0.398 2.886 ( -2.001 -0.636 -1.271) 2.455 2.950 ( -1.821 -0.601 0.186) 1.926 2.987 ( 0.426 3.101 0.207) 3.137 3.067 ( -1.726 0.287 -1.004) 2.017 3.077 ( 1.927 0.723 0.670) 2.164 3.124 ( 2.278 0.288 0.627) 2.380 3.164 ( 2.961 0.255 2.050) 3.610 3.251 ( 2.446 -0.236 0.909) 2.620 3.320 ( 3.587 0.249 7.341) 8.174 3.335 ( 2.831 0.198 3.713) 4.674 3.397 ( 1.274 2.465 0.051) 2.775 3.432 ( 2.406 3.279 1.438) 4.314 3.473 ( 2.397 0.476 1.106) 2.682 3.508 ( 1.432 2.291 2.931) 3.986 3.585 ( 0.398 -0.816 2.022) 2.217 3.623 ( 2.318 -0.795 0.442) 2.490 3.670 ( -0.217 -2.903 2.960) 4.152 3.743 ( -1.778 2.305 5.712) 6.411 3.757 ( 3.917 -0.674 4.504) 6.007 3.834 ( 1.772 -0.186 5.616) 5.892 3.859 ( 5.787 -1.488 6.782) 9.039 3.901 ( 4.781 -2.963 7.337) 9.245 3.939 ( 3.765 -1.804 0.084) 4.175 3.970 ( 5.443 -1.001 5.627) 7.892 4.079 ( 2.787 0.538 9.739) 10.144 4.136 ( 2.091 0.390 2.862) 3.566 4.162 ( 3.726 -2.178 2.658) 5.069 4.249 ( -1.226 -1.317 1.534) 2.365 4.275 ( -0.271 -0.539 1.150) 1.299 4.342 ( 1.693 1.512 -0.195) 2.279 4.349 ( 1.807 0.384 0.911) 2.060 4.430 ( 1.837 -1.948 -0.229) 2.687 4.460 ( -2.222 -1.230 0.796) 2.662 4.509 ( -1.566 0.129 -0.117) 1.575 4.574 ( -1.714 0.763 -3.394) 3.878 4.630 ( 0.238 0.931 -0.521) 1.093 4.674 ( -0.792 1.959 -3.901) 4.436 4.742 ( -1.943 1.550 -0.774) 2.603 4.809 ( -3.414 1.922 0.137) 3.920 4.852 ( -1.284 1.600 -0.616) 2.142 4.897 ( -2.582 1.866 -3.771) 4.937 4.941 ( -2.194 -1.360 -0.482) 2.626 5.048 ( -0.600 -0.753 -2.058) 2.272 5.082 ( -0.251 -2.450 -1.198) 2.739 5.147 ( -2.369 0.670 -1.883) 3.099 5.252 ( 1.109 2.597 -2.629) 3.858 5.282 ( -1.857 -1.145 -4.599) 5.090 5.327 ( 1.108 1.109 -1.755) 2.353 5.374 ( 0.135 -1.564 -2.136) 2.651 5.477 ( -0.071 -3.877 -2.463) 4.594 5.602 ( -2.146 0.991 -0.412) 2.399 5.695 ( -0.209 2.242 -1.167) 2.537 5.747 ( 1.315 -1.804 -3.366) 4.038 5.882 ( -1.203 3.488 2.082) 4.236 5.999 ( -6.110 1.152 -4.735) 7.815 6.066 ( -3.160 0.940 -6.293) 7.104 6.240 ( -1.862 -1.562 -1.533) 2.874 6.301 ( -3.834 -2.219 6.030) 7.482 ======================= Grid point 115 (65/75) ======================= q-point: ( 0.43 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -1.880 -0.320 -7.213) 7.461 1.110 ( -7.060 4.287 -9.426) 12.533 1.344 ( -2.656 2.657 2.148) 4.327 1.398 ( -1.377 3.880 -1.608) 4.420 1.453 ( -5.719 0.817 -2.334) 6.231 1.494 ( 1.449 1.205 -7.433) 7.668 1.608 ( -0.588 -4.855 -0.401) 4.907 1.668 ( -2.855 -4.561 -7.026) 8.850 1.796 ( 2.884 1.812 -0.755) 3.488 1.825 ( 0.731 -0.258 -0.263) 0.819 1.940 ( -4.302 0.351 2.187) 4.839 2.005 ( -1.621 -0.374 -3.262) 3.662 2.048 ( -1.398 1.358 1.693) 2.581 2.139 ( -0.078 -0.192 -2.890) 2.897 2.199 ( 2.240 1.630 -1.797) 3.303 2.271 ( -0.990 0.800 -0.503) 1.368 2.320 ( -0.742 -4.263 -1.249) 4.503 2.380 ( -0.629 -0.800 -3.513) 3.658 2.460 ( 0.385 -3.207 -0.992) 3.379 2.501 ( -0.198 -2.556 -0.268) 2.578 2.549 ( -1.611 -2.245 -0.256) 2.776 2.580 ( 0.522 -4.585 -3.463) 5.769 2.660 ( -3.593 0.420 2.807) 4.579 2.735 ( 1.292 -1.282 -3.750) 4.168 2.797 ( -4.195 1.113 1.456) 4.578 2.819 ( 0.520 0.734 -2.079) 2.265 2.903 ( 4.465 0.307 -0.563) 4.511 2.918 ( 1.506 3.765 -0.322) 4.068 2.966 ( -2.230 1.917 0.011) 2.940 3.026 ( -5.044 6.068 0.135) 7.892 3.097 ( 0.621 0.856 1.989) 2.253 3.175 ( -0.106 0.623 0.498) 0.805 3.180 ( 2.136 1.250 0.329) 2.497 3.265 ( -0.566 1.485 -1.097) 1.931 3.363 ( 0.094 0.185 2.858) 2.866 3.402 ( 0.641 -2.336 1.806) 3.022 3.445 ( 3.875 -0.585 0.457) 3.945 3.475 ( -0.862 -1.669 1.635) 2.490 3.521 ( -0.346 3.605 2.662) 4.495 3.555 ( 4.005 0.802 -1.896) 4.503 3.607 ( 0.644 -0.761 1.538) 1.833 3.637 ( 0.009 -0.134 1.698) 1.703 3.721 ( 3.353 -0.807 0.739) 3.527 3.763 ( -0.328 4.284 4.010) 5.877 3.861 ( 4.812 0.008 1.264) 4.975 3.878 ( -1.118 -0.110 3.817) 3.978 3.979 ( 2.412 -4.569 6.787) 8.529 3.996 ( 3.091 -3.609 4.243) 6.370 4.041 ( 7.313 -0.553 4.806) 8.768 4.147 ( 1.723 -0.204 3.175) 3.618 4.174 ( 2.228 -0.981 4.442) 5.065 4.211 ( 2.372 0.970 7.720) 8.134 4.251 ( 1.156 -2.153 1.764) 3.014 4.279 ( 6.136 -1.200 7.549) 9.802 4.312 ( 3.204 -1.602 3.228) 4.822 4.361 ( 0.216 -0.417 3.477) 3.508 4.387 ( -1.132 -3.104 1.478) 3.619 4.425 ( -0.152 0.359 0.085) 0.399 4.458 ( -0.497 -1.956 1.827) 2.722 4.503 ( 2.176 0.192 -1.915) 2.905 4.528 ( -0.455 1.292 -2.392) 2.756 4.606 ( -1.822 2.811 -4.445) 5.566 4.639 ( -0.116 -0.206 -4.911) 4.917 4.700 ( -1.619 1.515 -2.977) 3.711 4.740 ( -3.192 4.920 -0.086) 5.866 4.814 ( -1.078 1.694 -4.884) 5.281 4.856 ( 0.163 0.917 0.680) 1.153 4.917 ( -0.393 -0.528 1.993) 2.099 5.006 ( -2.256 0.016 -3.487) 4.153 5.051 ( -1.913 -2.228 -1.029) 3.112 5.101 ( -0.798 -0.097 -2.773) 2.887 5.175 ( -3.911 0.547 -6.516) 7.620 5.256 ( -0.191 -0.807 -1.097) 1.376 5.313 ( -2.031 -1.655 -2.067) 3.337 5.400 ( 3.179 0.884 -1.211) 3.515 5.447 ( -0.835 -0.572 -2.342) 2.551 5.551 ( -2.415 1.929 0.455) 3.124 5.630 ( -4.175 1.553 -3.980) 5.974 5.762 ( 0.693 -0.862 -0.423) 1.184 5.849 ( -1.682 2.937 -1.303) 3.627 5.912 ( -1.613 2.002 0.508) 2.621 5.956 ( -3.920 0.378 -5.111) 6.453 6.260 ( -1.665 -2.756 2.883) 4.322 6.267 ( 3.059 -2.784 -1.164) 4.297 ======================= Grid point 116 (66/75) ======================= q-point: (-0.43 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -7.021 2.872 0.080) 7.586 0.979 ( 2.942 -0.294 0.966) 3.110 1.270 ( -6.885 1.988 6.228) 9.494 1.335 ( -7.088 1.187 7.568) 10.436 1.398 ( 1.521 -0.536 -1.386) 2.127 1.490 ( -0.677 -1.022 0.583) 1.358 1.532 ( -4.392 -3.996 0.894) 6.005 1.665 ( 2.333 -3.199 -2.401) 4.630 1.760 ( -4.698 2.370 1.713) 5.534 1.850 ( 1.858 5.402 -2.278) 6.150 1.957 ( 4.160 0.069 -0.663) 4.213 2.019 ( 4.361 0.096 -3.398) 5.529 2.066 ( 0.295 3.023 3.308) 4.491 2.121 ( 2.085 1.631 -4.209) 4.973 2.200 ( -1.986 -1.257 -1.051) 2.575 2.261 ( 1.985 1.782 -0.389) 2.696 2.326 ( -1.757 -1.372 -1.327) 2.594 2.356 ( 0.672 -4.235 -0.245) 4.295 2.441 ( -3.553 -3.952 0.208) 5.318 2.482 ( -0.005 -1.605 2.623) 3.076 2.531 ( -3.346 -0.849 2.609) 4.327 2.564 ( 3.477 -3.502 -2.238) 5.419 2.657 ( -0.767 -0.356 1.686) 1.886 2.718 ( -0.525 1.423 -0.013) 1.517 2.765 ( 0.909 -1.726 -1.199) 2.290 2.819 ( 1.076 0.697 0.607) 1.419 2.891 ( -5.003 0.984 1.246) 5.249 2.921 ( -0.663 4.283 0.172) 4.338 2.978 ( 3.393 -0.701 -1.850) 3.928 3.041 ( 4.913 1.884 -1.035) 5.363 3.121 ( 0.025 1.968 1.717) 2.612 3.167 ( 0.132 1.613 -2.474) 2.956 3.204 ( -1.182 1.411 2.966) 3.491 3.231 ( -1.163 -0.393 -0.983) 1.573 3.385 ( -0.075 -2.310 2.177) 3.175 3.401 ( -0.377 -1.574 -0.280) 1.642 3.434 ( -3.062 0.958 1.282) 3.455 3.465 ( -2.337 -1.980 2.066) 3.694 3.539 ( 0.813 2.334 -1.189) 2.743 3.577 ( -0.175 1.924 -0.589) 2.019 3.631 ( 0.874 -1.745 0.075) 1.953 3.652 ( 1.031 -2.202 -1.743) 2.991 3.734 ( -1.771 3.391 -0.670) 3.883 3.797 ( 2.865 0.859 0.037) 2.992 3.857 ( -2.319 2.396 0.802) 3.430 3.932 ( 2.344 1.379 -1.145) 2.951 4.025 ( -1.601 -4.828 0.126) 5.088 4.053 ( 1.109 -3.176 1.710) 3.774 4.131 ( -2.479 -2.173 -0.987) 3.441 4.156 ( -3.010 -1.313 -0.597) 3.338 4.197 ( 2.557 -0.744 2.631) 3.744 4.265 ( 2.522 -1.376 -2.528) 3.826 4.308 ( -0.251 -0.784 -1.567) 1.770 4.317 ( 2.915 0.643 3.375) 4.506 4.377 ( -1.434 -1.608 0.293) 2.174 4.398 ( 0.594 1.075 0.145) 1.236 4.431 ( 1.017 0.661 1.387) 1.843 4.450 ( 1.108 -0.923 -0.319) 1.477 4.473 ( -0.482 0.074 0.227) 0.538 4.496 ( -0.693 0.587 1.067) 1.401 4.520 ( 1.576 -0.060 0.228) 1.593 4.539 ( -0.624 1.802 -5.739) 6.047 4.607 ( -1.554 1.260 0.464) 2.054 4.647 ( -0.128 -0.651 -1.452) 1.597 4.737 ( 1.495 3.965 0.032) 4.238 4.781 ( 1.780 1.770 -2.941) 3.866 4.888 ( -2.327 1.621 -0.412) 2.866 4.907 ( 1.896 0.685 2.092) 2.905 4.994 ( -1.384 -1.327 -1.067) 2.195 5.007 ( 1.048 -2.679 2.380) 3.734 5.071 ( -0.551 0.938 0.149) 1.098 5.106 ( 0.018 0.785 -1.304) 1.522 5.246 ( -1.865 -1.741 1.618) 3.022 5.270 ( -0.425 -1.545 0.362) 1.643 5.383 ( -3.808 1.394 0.090) 4.056 5.442 ( 0.467 -0.755 -1.384) 1.645 5.559 ( 1.921 0.357 1.640) 2.551 5.573 ( 1.408 1.268 -0.688) 2.015 5.782 ( 0.171 0.471 2.312) 2.366 5.801 ( -1.212 -0.352 -2.863) 3.128 5.874 ( -2.277 1.746 3.150) 4.261 5.940 ( 2.145 2.502 -0.353) 3.314 6.235 ( -0.344 -2.000 0.357) 2.061 6.354 ( 6.576 -2.743 -5.004) 8.707 ======================= Grid point 117 (67/75) ======================= q-point: (-0.29 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 3.232 2.295 11.955) 12.595 1.051 ( -3.307 -0.770 8.978) 9.599 1.214 ( -3.112 -0.928 11.236) 11.696 1.266 ( -6.111 -1.224 8.630) 10.645 1.424 ( -0.477 -2.046 6.082) 6.435 1.500 ( 1.454 0.090 2.913) 3.257 1.560 ( 4.724 0.131 3.981) 6.179 1.660 ( -1.850 -1.473 2.017) 3.108 1.723 ( 0.173 0.648 0.847) 1.081 1.870 ( -0.764 2.082 -1.406) 2.626 1.973 ( -1.129 2.206 0.284) 2.494 2.029 ( -1.074 3.301 1.429) 3.754 2.104 ( 2.909 0.302 2.336) 3.743 2.171 ( 3.026 -0.225 -0.810) 3.140 2.206 ( 0.903 2.380 -0.990) 2.732 2.281 ( 3.897 1.662 0.661) 4.288 2.324 ( 2.742 1.586 0.476) 3.203 2.376 ( 1.045 -0.940 0.299) 1.437 2.423 ( 0.513 -3.640 0.869) 3.778 2.471 ( 0.257 1.601 3.427) 3.791 2.559 ( 2.617 -0.271 1.216) 2.898 2.598 ( 0.012 -0.454 0.017) 0.455 2.650 ( 0.794 -0.428 1.407) 1.671 2.720 ( 0.901 -1.281 -1.511) 2.177 2.800 ( -1.633 -3.396 -0.557) 3.809 2.826 ( 2.288 -3.503 0.499) 4.213 2.867 ( 3.004 0.369 0.739) 3.116 2.941 ( 0.013 2.495 1.059) 2.710 3.011 ( 1.402 -3.073 -0.744) 3.459 3.063 ( -1.579 1.803 0.040) 2.398 3.084 ( -2.797 -0.759 -0.740) 2.992 3.138 ( -2.800 -0.944 0.874) 3.081 3.179 ( -2.755 -1.242 -0.317) 3.039 3.239 ( -0.006 0.320 1.034) 1.083 3.351 ( -2.579 -0.072 0.987) 2.762 3.386 ( -1.431 -0.605 -2.055) 2.576 3.422 ( -2.427 0.555 -0.045) 2.490 3.448 ( 1.821 2.509 -0.016) 3.100 3.505 ( -2.863 1.548 -1.487) 3.578 3.565 ( -0.357 1.411 -0.996) 1.764 3.602 ( -2.768 -2.863 -0.932) 4.090 3.656 ( -0.207 -0.619 -2.317) 2.407 3.717 ( 1.462 -1.982 -4.066) 4.754 3.794 ( -1.465 -0.091 -1.023) 1.789 3.845 ( 0.418 1.154 -2.021) 2.365 3.921 ( -2.559 1.986 -3.222) 4.569 3.939 ( -4.359 -0.977 -3.580) 5.725 4.005 ( -4.158 -0.095 -5.924) 7.238 4.046 ( -2.309 -1.829 -6.030) 6.711 4.108 ( -5.038 -0.797 -3.827) 6.377 4.189 ( -3.588 0.196 -3.225) 4.829 4.235 ( -3.775 -1.611 -4.671) 6.218 4.245 ( -1.988 -0.676 -4.736) 5.181 4.296 ( -1.982 -0.383 -3.957) 4.442 4.339 ( -1.333 1.021 -6.554) 6.765 4.372 ( -0.280 0.271 -1.651) 1.696 4.390 ( -3.478 0.721 -3.348) 4.882 4.411 ( -4.137 1.919 -1.940) 4.956 4.481 ( 0.845 0.599 -0.522) 1.160 4.517 ( 1.746 2.464 0.056) 3.020 4.534 ( 2.501 1.249 1.279) 3.074 4.586 ( 2.955 1.648 3.820) 5.103 4.629 ( 3.007 -0.504 1.683) 3.483 4.692 ( 3.103 0.073 1.691) 3.535 4.769 ( 2.397 0.999 3.141) 4.076 4.837 ( 2.553 3.831 0.211) 4.609 4.865 ( 1.950 -1.131 0.511) 2.312 4.934 ( -1.439 -1.830 0.220) 2.338 4.989 ( 2.078 0.890 5.148) 5.623 5.046 ( -0.210 -2.135 2.428) 3.240 5.103 ( 2.220 -0.242 2.121) 3.080 5.156 ( 2.487 -0.388 5.695) 6.227 5.235 ( -0.353 0.110 1.008) 1.073 5.274 ( -0.722 0.001 3.059) 3.143 5.340 ( -0.271 -1.711 2.193) 2.794 5.448 ( 0.402 -2.465 0.197) 2.505 5.597 ( 1.730 0.765 0.083) 1.893 5.629 ( 1.103 0.413 4.011) 4.180 5.732 ( -2.642 -0.395 -0.605) 2.739 5.850 ( 1.125 -0.792 6.049) 6.203 5.899 ( 3.416 2.116 3.468) 5.307 5.997 ( 4.325 1.480 1.342) 4.764 6.259 ( 3.640 0.283 -3.252) 4.890 6.427 ( 5.121 -1.960 -6.670) 8.635 ======================= Grid point 118 (68/75) ======================= q-point: (-0.14 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -8.337 -0.122 12.076) 14.675 1.074 ( 5.677 -0.786 5.685) 8.072 1.207 ( -2.853 -0.920 11.554) 11.936 1.312 ( 2.055 -3.625 7.530) 8.606 1.442 ( -0.563 -0.450 4.224) 4.286 1.576 ( 2.707 4.943 -0.327) 5.645 1.637 ( -0.001 -1.922 3.640) 4.117 1.676 ( 1.212 -1.016 7.044) 7.219 1.737 ( -0.606 3.164 3.701) 4.907 1.836 ( 1.669 -1.278 2.236) 3.069 2.025 ( 0.223 3.027 6.931) 7.566 2.066 ( 4.294 3.276 4.305) 6.906 2.150 ( 2.129 -2.449 -2.563) 4.136 2.201 ( 0.957 3.149 4.427) 5.516 2.247 ( 2.434 1.005 3.332) 4.247 2.357 ( 2.993 3.131 -0.319) 4.343 2.391 ( 0.901 -1.939 1.873) 2.843 2.416 ( 4.796 1.137 -0.377) 4.943 2.487 ( 4.822 -1.199 3.639) 6.159 2.517 ( 2.682 0.598 -0.198) 2.756 2.588 ( -0.087 1.411 0.342) 1.454 2.640 ( 3.328 1.889 0.010) 3.827 2.680 ( 2.640 1.054 1.867) 3.400 2.730 ( 0.792 -3.629 -0.490) 3.747 2.770 ( -1.868 -0.762 0.156) 2.023 2.845 ( 0.980 -3.721 -0.670) 3.906 2.927 ( 0.046 1.012 0.378) 1.081 2.951 ( 0.018 -0.531 0.794) 0.955 2.972 ( -2.092 -3.744 -1.986) 4.726 3.031 ( -2.904 -0.129 0.126) 2.909 3.043 ( -2.036 -5.939 0.922) 6.346 3.075 ( -1.369 1.090 0.954) 1.993 3.171 ( 0.319 -0.332 -0.594) 0.751 3.208 ( -1.248 -2.671 -2.950) 4.171 3.289 ( -4.453 -0.140 -2.537) 5.126 3.338 ( -2.297 -1.289 -2.343) 3.525 3.348 ( -3.685 1.562 -2.829) 4.902 3.424 ( -2.964 -0.533 0.491) 3.052 3.474 ( -0.953 3.460 -0.621) 3.642 3.529 ( -1.301 2.056 -3.848) 4.552 3.552 ( -3.322 -2.479 -2.878) 5.046 3.635 ( 0.967 -1.268 -0.925) 1.844 3.716 ( -0.128 -2.204 -2.374) 3.242 3.755 ( -2.886 -2.907 -3.087) 5.129 3.796 ( -3.603 1.946 -5.933) 7.209 3.819 ( -6.802 0.237 -5.265) 8.605 3.853 ( -0.398 0.497 -4.750) 4.792 3.894 ( -3.234 -1.005 -4.092) 5.312 3.944 ( -3.305 -0.047 -4.699) 5.745 3.968 ( -1.989 -0.684 -6.758) 7.078 4.085 ( -5.514 -0.001 -4.807) 7.315 4.122 ( -3.818 -1.386 -6.355) 7.542 4.179 ( -0.807 2.952 -3.795) 4.876 4.240 ( -4.506 2.750 -0.784) 5.337 4.272 ( -1.368 0.142 -1.754) 2.229 4.308 ( -1.102 -0.934 -0.711) 1.610 4.372 ( 2.334 0.987 -1.593) 2.993 4.413 ( -0.005 0.417 3.579) 3.604 4.480 ( 0.106 4.534 -1.092) 4.665 4.532 ( 1.083 4.033 -0.058) 4.177 4.590 ( 1.934 1.045 -0.243) 2.212 4.642 ( 1.186 1.031 1.152) 1.948 4.698 ( 3.055 0.594 0.324) 3.129 4.753 ( 1.288 1.909 1.775) 2.908 4.836 ( 2.301 0.765 2.973) 3.837 4.861 ( 0.217 0.628 1.541) 1.679 4.926 ( 3.139 -0.783 2.409) 4.034 4.954 ( 1.612 -2.719 0.511) 3.202 5.045 ( 1.113 -0.798 2.724) 3.049 5.075 ( 2.257 -0.186 3.009) 3.766 5.127 ( -1.366 -0.071 2.941) 3.244 5.215 ( 1.105 0.971 1.487) 2.092 5.246 ( 0.990 -2.361 3.559) 4.384 5.322 ( 2.448 -0.553 3.089) 3.980 5.357 ( -0.341 -2.962 1.574) 3.372 5.442 ( -0.868 -3.125 -0.522) 3.285 5.618 ( 0.523 0.041 0.676) 0.856 5.640 ( -1.457 0.407 2.118) 2.603 5.720 ( 0.738 0.843 2.871) 3.082 5.877 ( 0.432 -3.340 -0.364) 3.388 6.029 ( 5.352 1.659 6.399) 8.505 6.107 ( 4.829 2.028 4.383) 6.829 6.305 ( 3.206 1.719 -3.803) 5.263 6.450 ( 2.264 -0.678 -7.335) 7.706 ======================= Grid point 119 (69/75) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -0.015 0.000 5.499) 5.499 1.043 ( 1.230 -0.000 4.169) 4.347 1.286 ( 4.263 0.000 0.971) 4.372 1.295 ( 0.346 0.000 0.335) 0.482 1.559 ( -1.819 0.000 11.625) 11.767 1.563 ( 2.648 -0.000 1.300) 2.950 1.625 ( -0.233 0.000 1.590) 1.607 1.773 ( 2.030 0.000 0.186) 2.038 1.830 ( -0.537 0.000 3.942) 3.978 1.901 ( 4.850 0.000 -7.384) 8.834 2.041 ( -1.317 0.000 5.196) 5.361 2.095 ( 0.263 0.000 0.484) 0.551 2.265 ( 3.644 0.000 1.294) 3.867 2.279 ( -0.445 -0.000 0.292) 0.532 2.370 ( 3.987 -0.000 2.908) 4.935 2.374 ( 1.171 0.000 7.641) 7.730 2.440 ( -2.727 0.000 -0.477) 2.768 2.462 ( -1.702 0.000 4.072) 4.413 2.537 ( 0.727 0.000 -2.153) 2.272 2.557 ( 2.736 -0.000 -0.704) 2.825 2.616 ( -1.131 0.000 3.609) 3.782 2.670 ( 0.025 0.000 -1.092) 1.092 2.721 ( -1.098 0.000 -0.538) 1.223 2.725 ( 3.225 -0.000 -1.700) 3.645 2.788 ( 1.915 0.000 2.137) 2.870 2.828 ( -0.992 0.000 -0.242) 1.021 2.876 ( 2.769 0.000 2.125) 3.490 2.900 ( -0.514 0.000 -0.222) 0.560 2.931 ( 0.788 -0.000 0.319) 0.850 2.957 ( -1.438 0.000 -0.983) 1.741 3.070 ( -1.378 0.000 2.120) 2.529 3.099 ( 0.286 0.000 -2.113) 2.133 3.124 ( -0.227 0.000 -2.211) 2.223 3.140 ( -1.044 -0.000 -0.621) 1.214 3.200 ( 0.727 -0.000 -6.148) 6.191 3.210 ( -3.237 0.000 -4.332) 5.408 3.354 ( 0.844 0.000 4.372) 4.453 3.383 ( -0.851 0.000 2.227) 2.384 3.444 ( -0.708 0.000 3.009) 3.092 3.459 ( -1.517 0.000 -1.942) 2.465 3.525 ( -1.196 0.000 -4.501) 4.657 3.573 ( -3.344 0.000 -6.889) 7.658 3.647 ( 1.290 -0.000 -3.226) 3.474 3.657 ( -3.903 0.000 -2.692) 4.742 3.740 ( -2.102 0.000 -3.279) 3.895 3.740 ( 1.501 -0.000 -0.605) 1.618 3.787 ( 0.031 0.000 -1.933) 1.933 3.847 ( -2.916 0.000 -6.897) 7.488 3.883 ( -0.199 0.000 3.813) 3.818 3.937 ( -0.874 0.000 -1.383) 1.636 3.980 ( -3.657 0.000 -1.840) 4.094 4.006 ( 0.697 0.000 -4.725) 4.776 4.224 ( -0.692 0.000 0.789) 1.050 4.234 ( 0.775 -0.000 -0.687) 1.036 4.259 ( -1.220 0.000 0.644) 1.380 4.276 ( -0.326 -0.000 -0.896) 0.954 4.368 ( -4.835 0.000 5.071) 7.006 4.435 ( 4.026 0.000 -1.494) 4.294 4.593 ( -2.192 0.000 0.268) 2.209 4.607 ( 1.104 -0.000 -0.704) 1.309 4.625 ( -0.735 0.000 2.659) 2.758 4.645 ( -0.436 -0.000 0.930) 1.027 4.753 ( 2.265 0.000 -0.667) 2.362 4.753 ( -2.469 -0.000 -0.180) 2.476 4.880 ( -0.886 0.000 3.723) 3.827 4.937 ( -0.699 0.000 -1.629) 1.772 4.938 ( 2.573 -0.000 1.582) 3.021 4.944 ( 1.221 0.000 0.231) 1.243 5.063 ( 1.360 0.000 1.357) 1.921 5.071 ( -0.068 0.000 0.268) 0.277 5.178 ( -1.943 -0.000 3.257) 3.792 5.204 ( 4.492 0.000 2.242) 5.021 5.272 ( -0.287 0.000 -0.931) 0.974 5.293 ( 1.223 -0.000 -0.346) 1.271 5.382 ( 1.494 0.000 1.008) 1.802 5.404 ( 0.717 0.000 -2.248) 2.360 5.628 ( -0.855 0.000 1.595) 1.809 5.645 ( 1.435 0.000 -0.143) 1.442 5.793 ( -2.050 0.000 -0.228) 2.063 5.799 ( 3.912 -0.000 -0.716) 3.977 6.140 ( -0.136 0.000 6.841) 6.842 6.228 ( 2.291 0.000 4.558) 5.101 6.336 ( -0.725 0.000 -5.206) 5.257 6.414 ( -0.598 0.000 -6.657) 6.683 ======================= Grid point 121 (70/75) ======================= q-point: ( 0.14 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 2.491 0.000 -0.041) 2.491 1.129 ( 6.099 -0.000 0.596) 6.128 1.322 ( 3.715 0.000 -2.968) 4.755 1.367 ( 5.535 0.000 -3.102) 6.345 1.552 ( 0.082 0.000 1.098) 1.101 1.624 ( 2.486 0.000 0.069) 2.487 1.672 ( -2.096 0.000 6.667) 6.989 1.756 ( 0.844 0.000 -7.835) 7.881 1.785 ( -4.124 -0.000 -0.606) 4.168 1.886 ( -2.586 0.000 -9.125) 9.485 2.065 ( 1.183 -0.000 2.495) 2.762 2.076 ( -2.412 0.000 0.073) 2.413 2.225 ( -4.907 0.000 -0.966) 5.001 2.268 ( -5.950 0.000 -1.084) 6.048 2.331 ( -8.725 -0.000 0.354) 8.732 2.336 ( 1.822 0.000 -5.329) 5.632 2.463 ( 0.322 -0.000 0.349) 0.475 2.470 ( -2.517 0.000 3.126) 4.014 2.512 ( 0.334 0.000 -2.422) 2.444 2.525 ( -1.407 -0.000 -4.813) 5.014 2.638 ( 0.619 -0.000 2.996) 3.060 2.644 ( -4.496 0.000 -4.064) 6.061 2.687 ( -2.301 0.000 -2.135) 3.139 2.702 ( 0.821 0.000 -1.915) 2.084 2.846 ( -1.484 0.000 1.367) 2.018 2.850 ( -2.257 -0.000 -2.312) 3.231 2.892 ( 3.113 0.000 -0.040) 3.113 2.919 ( 2.083 0.000 1.120) 2.366 2.962 ( 3.133 0.000 1.527) 3.485 3.011 ( 4.251 0.000 -2.100) 4.742 3.031 ( 1.732 0.000 0.470) 1.795 3.058 ( 1.000 0.000 1.612) 1.897 3.128 ( -0.403 0.000 1.751) 1.797 3.167 ( 3.788 0.000 1.768) 4.180 3.219 ( 3.457 0.000 1.312) 3.698 3.235 ( 3.430 0.000 0.728) 3.506 3.397 ( 1.105 0.000 -0.877) 1.411 3.419 ( 1.532 0.000 2.809) 3.200 3.445 ( 1.309 0.000 4.250) 4.447 3.500 ( 3.822 0.000 -3.940) 5.489 3.561 ( 3.718 0.000 0.181) 3.723 3.567 ( 3.766 -0.000 6.281) 7.324 3.596 ( 2.033 0.000 3.485) 4.034 3.694 ( -3.430 -0.000 -0.567) 3.477 3.700 ( 1.742 0.000 1.380) 2.222 3.751 ( 0.776 0.000 1.079) 1.329 3.764 ( -1.229 0.000 0.245) 1.253 3.797 ( 1.939 0.000 2.660) 3.291 3.914 ( -0.468 0.000 -1.334) 1.414 3.919 ( -1.039 0.000 1.275) 1.644 3.955 ( 2.346 0.000 5.495) 5.975 4.042 ( 3.732 -0.000 0.150) 3.735 4.212 ( -0.892 -0.000 0.538) 1.042 4.221 ( -1.594 0.000 0.823) 1.794 4.282 ( 2.332 0.000 0.922) 2.508 4.287 ( 1.470 -0.000 0.542) 1.567 4.312 ( -3.594 0.000 3.838) 5.258 4.465 ( -1.623 0.000 0.083) 1.626 4.531 ( -2.943 0.000 -0.190) 2.949 4.556 ( -5.078 0.000 1.848) 5.404 4.611 ( -1.214 0.000 -2.054) 2.387 4.657 ( -0.077 0.000 0.259) 0.270 4.730 ( -0.547 0.000 3.842) 3.881 4.769 ( -0.651 0.000 -1.602) 1.729 4.877 ( -0.498 0.000 1.695) 1.766 4.888 ( -1.835 0.000 -2.643) 3.218 4.944 ( -1.229 0.000 -1.932) 2.290 4.957 ( -0.854 0.000 -0.465) 0.972 5.069 ( -0.211 0.000 -1.616) 1.630 5.090 ( 0.114 0.000 0.138) 0.179 5.168 ( 0.375 0.000 -1.296) 1.349 5.242 ( 0.564 0.000 -0.324) 0.650 5.314 ( 0.368 0.000 -0.555) 0.666 5.328 ( 5.701 0.000 -2.875) 6.384 5.390 ( 0.415 0.000 -2.508) 2.542 5.391 ( -0.467 -0.000 -1.597) 1.664 5.630 ( 0.201 0.000 -0.102) 0.225 5.678 ( 2.204 0.000 -0.172) 2.211 5.752 ( -1.169 0.000 -2.642) 2.889 5.867 ( 3.604 0.000 -0.118) 3.606 6.132 ( -3.725 0.000 3.056) 4.819 6.206 ( -4.477 0.000 -8.081) 9.239 6.294 ( -3.234 0.000 7.417) 8.091 6.330 ( -4.190 0.000 -5.336) 6.784 ======================= Grid point 123 (71/75) ======================= q-point: ( 0.29 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -1.937 0.000 -6.655) 6.931 1.238 ( 5.232 0.000 -4.167) 6.689 1.371 ( 4.496 0.000 -6.510) 7.912 1.433 ( 3.967 0.000 -5.567) 6.836 1.598 ( -2.166 0.000 -8.600) 8.869 1.606 ( -0.354 -0.000 3.643) 3.660 1.617 ( -2.212 0.000 2.067) 3.028 1.702 ( -2.908 -0.000 -3.401) 4.474 1.703 ( -6.895 0.000 -8.310) 10.798 1.784 ( 3.902 0.000 -3.711) 5.385 2.015 ( -4.529 0.000 1.211) 4.688 2.079 ( -2.157 0.000 -2.247) 3.115 2.114 ( -6.363 0.000 2.146) 6.715 2.152 ( -3.720 0.000 -0.704) 3.786 2.208 ( -1.468 0.000 -1.781) 2.308 2.310 ( -1.938 0.000 -5.396) 5.734 2.393 ( -2.840 0.000 -4.429) 5.262 2.426 ( -2.483 0.000 -0.659) 2.568 2.499 ( -4.401 0.000 -4.088) 6.007 2.509 ( -2.954 0.000 -1.443) 3.287 2.519 ( 1.267 -0.000 -2.772) 3.047 2.596 ( -3.219 0.000 -0.818) 3.321 2.674 ( -1.180 0.000 2.336) 2.617 2.709 ( 2.018 0.000 -2.786) 3.441 2.805 ( 2.418 0.000 -5.584) 6.085 2.833 ( -0.971 0.000 0.748) 1.226 2.885 ( -2.965 0.000 0.050) 2.965 2.946 ( 0.762 0.000 1.771) 1.928 3.031 ( 0.876 0.000 -1.299) 1.567 3.068 ( 3.694 0.000 -0.171) 3.698 3.084 ( 3.540 0.000 0.268) 3.551 3.140 ( -0.281 -0.000 3.448) 3.460 3.151 ( 5.044 0.000 -1.116) 5.166 3.267 ( 4.234 0.000 1.683) 4.556 3.307 ( 4.862 0.000 2.393) 5.419 3.328 ( 2.726 0.000 5.411) 6.059 3.429 ( 0.791 0.000 4.880) 4.944 3.444 ( 0.126 0.000 -0.490) 0.506 3.511 ( -1.673 0.000 0.426) 1.727 3.543 ( 4.681 0.000 -0.526) 4.711 3.592 ( 1.143 -0.000 0.834) 1.414 3.613 ( 1.742 0.000 0.554) 1.828 3.619 ( 0.819 -0.000 1.141) 1.405 3.734 ( 1.491 0.000 4.340) 4.588 3.791 ( 4.446 0.000 7.852) 9.023 3.815 ( 2.998 0.000 7.095) 7.702 3.830 ( 3.191 0.000 5.658) 6.496 3.867 ( 0.749 0.000 5.517) 5.568 3.936 ( 3.817 0.000 2.059) 4.337 3.952 ( 7.165 0.000 4.636) 8.534 4.070 ( 4.412 0.000 9.528) 10.500 4.124 ( 3.281 0.000 4.283) 5.395 4.204 ( -1.117 0.000 1.992) 2.284 4.206 ( -0.233 -0.000 1.261) 1.282 4.274 ( -1.287 0.000 2.201) 2.549 4.320 ( -0.052 0.000 2.549) 2.550 4.367 ( 3.711 0.000 3.098) 4.834 4.411 ( -1.097 0.000 -1.722) 2.042 4.473 ( -3.329 -0.000 -0.256) 3.339 4.477 ( -4.064 0.000 2.652) 4.853 4.609 ( 2.734 0.000 -4.306) 5.100 4.625 ( -2.857 -0.000 -1.795) 3.374 4.725 ( -2.344 -0.000 -2.423) 3.372 4.735 ( -1.556 0.000 2.642) 3.066 4.846 ( -1.648 0.000 -3.758) 4.103 4.866 ( -1.965 0.000 0.041) 1.966 4.903 ( -0.418 0.000 -2.556) 2.590 4.930 ( -0.657 0.000 -1.965) 2.072 5.037 ( -1.687 0.000 -1.893) 2.536 5.064 ( -1.957 0.000 -1.362) 2.385 5.168 ( 0.574 0.000 -3.083) 3.136 5.237 ( -0.472 0.000 -3.704) 3.734 5.274 ( -2.591 0.000 -2.188) 3.391 5.350 ( -1.941 0.000 -3.171) 3.718 5.397 ( 4.037 0.000 -3.389) 5.271 5.406 ( 1.473 -0.000 -0.866) 1.709 5.620 ( -1.306 0.000 -0.706) 1.485 5.699 ( -0.904 0.000 -0.239) 0.935 5.741 ( 2.964 0.000 -4.418) 5.320 5.913 ( 0.053 0.000 1.846) 1.847 6.037 ( -7.170 0.000 -6.469) 9.657 6.065 ( -2.508 -0.000 -5.726) 6.251 6.221 ( -3.875 0.000 -1.169) 4.047 6.270 ( -4.467 0.000 6.742) 8.087 ======================= Grid point 125 (72/75) ======================= q-point: ( 0.43 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -2.033 0.000 -6.275) 6.596 1.162 ( -7.712 0.000 -12.441) 14.637 1.404 ( 0.469 0.000 -0.248) 0.530 1.437 ( -1.488 0.000 -2.455) 2.871 1.478 ( -9.332 0.000 0.781) 9.365 1.479 ( -4.766 -0.000 -1.897) 5.130 1.554 ( -4.394 0.000 -0.518) 4.424 1.612 ( 4.219 0.000 -11.279) 12.043 1.800 ( 8.124 0.000 0.755) 8.159 1.825 ( -0.568 0.000 1.838) 1.924 1.961 ( -1.054 -0.000 0.647) 1.237 1.988 ( -2.993 0.000 0.194) 2.999 2.082 ( 1.341 0.000 0.230) 1.360 2.124 ( 0.627 0.000 -1.734) 1.844 2.216 ( 1.778 0.000 -2.868) 3.374 2.239 ( -2.644 -0.000 -1.541) 3.060 2.313 ( -2.038 0.000 -3.996) 4.485 2.365 ( -4.122 0.000 -3.378) 5.329 2.427 ( 1.464 0.000 -1.440) 2.053 2.488 ( 0.413 0.000 0.742) 0.849 2.507 ( -1.805 -0.000 -3.759) 4.170 2.532 ( -2.544 0.000 -0.467) 2.587 2.652 ( -2.886 0.000 3.311) 4.392 2.727 ( 2.166 0.000 -4.598) 5.082 2.815 ( -0.100 -0.000 0.381) 0.394 2.824 ( -1.522 0.000 0.187) 1.534 2.905 ( 4.305 -0.000 -0.690) 4.360 2.945 ( 1.335 0.000 -0.828) 1.571 3.013 ( -1.333 0.000 0.467) 1.413 3.078 ( -4.474 0.000 0.321) 4.486 3.133 ( 0.794 0.000 2.048) 2.197 3.185 ( 2.573 0.000 3.109) 4.035 3.190 ( 0.774 -0.000 -0.722) 1.058 3.302 ( -3.177 0.000 -1.769) 3.637 3.346 ( -0.585 -0.000 2.686) 2.749 3.358 ( 0.327 0.000 -0.336) 0.469 3.407 ( -0.121 0.000 3.545) 3.547 3.475 ( 0.362 0.000 1.407) 1.453 3.563 ( 2.384 0.000 1.253) 2.693 3.573 ( 1.988 0.000 -1.315) 2.383 3.610 ( 2.074 0.000 -1.454) 2.533 3.637 ( -0.904 0.000 0.586) 1.077 3.714 ( 5.138 0.000 4.150) 6.605 3.795 ( 1.469 0.000 1.781) 2.309 3.861 ( 0.569 0.000 3.431) 3.478 3.898 ( 0.385 0.000 5.732) 5.745 3.923 ( 2.488 -0.000 5.797) 6.308 3.948 ( 6.873 0.000 4.787) 8.376 4.060 ( 5.808 0.000 2.683) 6.397 4.108 ( 3.280 0.000 0.112) 3.282 4.178 ( 0.503 0.000 4.514) 4.542 4.190 ( -0.971 0.000 3.600) 3.729 4.248 ( 3.822 0.000 5.639) 6.812 4.278 ( 5.874 0.000 9.139) 10.863 4.296 ( 3.301 0.000 3.060) 4.502 4.312 ( -0.530 0.000 4.743) 4.773 4.384 ( -2.575 0.000 5.039) 5.659 4.407 ( 0.782 -0.000 -2.461) 2.583 4.447 ( 1.693 0.000 -1.887) 2.535 4.513 ( 2.787 0.000 2.383) 3.667 4.545 ( -3.501 0.000 -2.941) 4.573 4.619 ( 0.877 0.000 -6.796) 6.852 4.659 ( -2.667 0.000 -2.188) 3.449 4.712 ( -1.583 0.000 -2.514) 2.971 4.801 ( 0.310 0.000 -0.096) 0.324 4.820 ( -1.746 -0.000 -1.471) 2.283 4.883 ( -0.654 0.000 -2.587) 2.668 4.897 ( -1.990 -0.000 -1.642) 2.580 5.003 ( -0.427 0.000 -1.781) 1.831 5.015 ( -2.230 -0.000 -1.819) 2.878 5.135 ( -1.555 0.000 -1.888) 2.445 5.173 ( -3.327 0.000 -3.477) 4.812 5.240 ( 0.327 0.000 -1.967) 1.994 5.289 ( -2.571 0.000 -3.050) 3.989 5.414 ( -0.592 0.000 0.845) 1.032 5.439 ( 2.705 0.000 -3.137) 4.142 5.577 ( -2.560 0.000 0.179) 2.567 5.640 ( -3.862 0.000 -4.566) 5.981 5.756 ( 0.661 0.000 -0.816) 1.050 5.881 ( -2.714 0.000 -3.201) 4.197 5.944 ( 0.386 0.000 -1.186) 1.247 5.964 ( -4.950 0.000 -1.492) 5.170 6.225 ( 4.734 0.000 -2.459) 5.334 6.227 ( -3.510 0.000 3.938) 5.276 ======================= Grid point 127 (73/75) ======================= q-point: (-0.43 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -7.143 0.000 -4.444) 8.413 0.961 ( 2.014 -0.000 5.957) 6.288 1.328 ( -8.921 0.000 4.271) 9.890 1.345 ( -9.860 0.000 10.116) 14.126 1.370 ( -3.397 0.000 5.943) 6.846 1.448 ( 0.611 0.000 1.986) 2.078 1.499 ( -1.052 0.000 -0.862) 1.360 1.649 ( 3.824 0.000 -5.048) 6.333 1.787 ( -3.502 0.000 0.799) 3.592 1.902 ( 3.474 0.000 -3.568) 4.980 1.981 ( 1.356 0.000 0.466) 1.434 2.001 ( 4.355 0.000 -3.399) 5.524 2.117 ( 1.544 0.000 -1.169) 1.936 2.131 ( 1.902 -0.000 -3.806) 4.254 2.205 ( 0.977 0.000 -1.810) 2.057 2.241 ( 3.421 -0.000 -1.099) 3.593 2.293 ( -1.057 0.000 -3.327) 3.491 2.323 ( 3.915 0.000 1.496) 4.191 2.416 ( -3.656 0.000 -1.124) 3.825 2.455 ( 0.685 0.000 1.739) 1.869 2.503 ( -1.398 0.000 -0.499) 1.484 2.547 ( 5.488 0.000 -1.000) 5.578 2.633 ( -1.014 0.000 2.950) 3.120 2.743 ( 2.765 0.000 -4.852) 5.585 2.762 ( -4.644 0.000 4.328) 6.348 2.812 ( -4.253 0.000 1.947) 4.678 2.900 ( -4.070 -0.000 0.259) 4.078 2.937 ( -0.663 0.000 0.409) 0.779 3.019 ( 1.239 -0.000 -0.029) 1.239 3.064 ( 2.057 0.000 1.665) 2.647 3.164 ( 0.883 0.000 2.671) 2.813 3.166 ( -3.013 -0.000 -0.577) 3.068 3.213 ( -4.487 0.000 -0.446) 4.509 3.229 ( -0.487 0.000 4.273) 4.301 3.354 ( -0.396 0.000 0.752) 0.850 3.365 ( 1.107 -0.000 0.204) 1.125 3.444 ( 1.314 0.000 2.741) 3.040 3.464 ( -0.343 -0.000 -1.950) 1.980 3.574 ( -1.309 -0.000 0.976) 1.633 3.580 ( -1.558 0.000 0.013) 1.558 3.616 ( -0.391 -0.000 -1.590) 1.637 3.628 ( -0.011 0.000 -1.063) 1.063 3.786 ( -1.565 -0.000 -2.991) 3.376 3.791 ( 0.525 0.000 0.986) 1.117 3.906 ( -1.469 0.000 1.278) 1.947 3.913 ( 2.767 -0.000 1.926) 3.371 3.986 ( 0.934 0.000 -1.168) 1.495 4.044 ( 2.345 0.000 -2.720) 3.591 4.094 ( -0.850 0.000 0.593) 1.037 4.125 ( -2.752 -0.000 -3.573) 4.510 4.192 ( 4.052 0.000 2.205) 4.613 4.248 ( 2.709 0.000 -0.162) 2.714 4.299 ( -2.155 0.000 -2.427) 3.246 4.324 ( 1.732 0.000 3.177) 3.619 4.359 ( 1.410 0.000 -0.559) 1.516 4.404 ( 1.206 0.000 -2.542) 2.813 4.428 ( 0.527 0.000 -0.024) 0.528 4.444 ( 3.231 0.000 1.861) 3.728 4.476 ( -0.782 0.000 1.041) 1.302 4.507 ( -1.005 -0.000 -1.542) 1.841 4.510 ( 3.709 0.000 2.317) 4.373 4.559 ( 1.031 0.000 -6.084) 6.171 4.627 ( -1.485 0.000 2.598) 2.992 4.649 ( -3.615 0.000 -2.864) 4.612 4.794 ( -1.552 0.000 0.758) 1.727 4.821 ( 0.887 0.000 -1.138) 1.443 4.869 ( 1.280 -0.000 -1.217) 1.766 4.889 ( 3.094 0.000 -0.485) 3.132 4.970 ( -1.956 0.000 1.435) 2.426 4.997 ( 0.056 0.000 -0.359) 0.364 5.103 ( -2.492 0.000 0.767) 2.607 5.124 ( -0.083 0.000 2.729) 2.730 5.227 ( -2.269 0.000 -0.447) 2.312 5.238 ( -0.007 -0.000 0.925) 0.926 5.397 ( -1.902 0.000 1.497) 2.420 5.431 ( -1.851 -0.000 -1.670) 2.493 5.569 ( 1.579 0.000 2.035) 2.576 5.585 ( 0.824 0.000 -1.031) 1.320 5.783 ( 1.355 0.000 3.914) 4.142 5.797 ( -2.819 0.000 -4.746) 5.519 5.902 ( -2.315 0.000 3.218) 3.964 5.967 ( 0.702 0.000 1.177) 1.370 6.216 ( 2.067 0.000 -1.641) 2.640 6.314 ( 6.843 0.000 -4.927) 8.432 ======================= Grid point 129 (74/75) ======================= q-point: (-0.29 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 2.803 0.000 7.702) 8.197 1.052 ( -1.421 0.000 12.370) 12.451 1.198 ( -9.039 0.000 9.605) 13.189 1.245 ( -7.159 0.000 14.586) 16.249 1.401 ( -1.268 0.000 10.482) 10.559 1.520 ( 2.089 0.000 6.865) 7.176 1.534 ( 5.095 -0.000 4.539) 6.824 1.652 ( -0.946 0.000 -0.380) 1.020 1.754 ( 2.632 0.000 -4.091) 4.865 1.866 ( -3.407 0.000 -5.639) 6.589 2.018 ( 2.364 0.000 2.850) 3.702 2.060 ( 2.995 0.000 -3.528) 4.628 2.114 ( -2.253 0.000 -0.080) 2.255 2.149 ( 3.333 0.000 1.161) 3.530 2.255 ( -0.381 0.000 -1.549) 1.595 2.283 ( 9.026 0.000 -5.729) 10.691 2.334 ( 4.959 0.000 0.637) 5.000 2.387 ( 0.080 0.000 5.362) 5.363 2.409 ( 0.441 0.000 2.660) 2.696 2.484 ( 1.481 0.000 0.852) 1.708 2.525 ( 6.205 0.000 -1.808) 6.463 2.615 ( 1.812 0.000 -0.544) 1.892 2.643 ( -0.238 0.000 2.452) 2.463 2.715 ( -4.499 0.000 2.851) 5.326 2.721 ( 0.089 -0.000 -0.957) 0.961 2.781 ( 1.359 0.000 2.372) 2.734 2.885 ( 2.091 0.000 0.860) 2.261 2.962 ( 0.501 0.000 0.817) 0.958 3.005 ( -3.580 -0.000 0.785) 3.665 3.051 ( -3.451 0.000 1.640) 3.820 3.108 ( -2.920 -0.000 -0.216) 2.928 3.129 ( -5.615 -0.000 1.589) 5.836 3.147 ( -1.541 0.000 0.172) 1.550 3.232 ( -3.367 0.000 4.236) 5.411 3.360 ( -0.272 0.000 0.235) 0.359 3.372 ( -0.670 0.000 -2.300) 2.396 3.459 ( -0.820 0.000 -1.200) 1.454 3.468 ( -0.770 -0.000 0.573) 0.960 3.525 ( -0.640 0.000 -0.900) 1.105 3.565 ( -2.205 0.000 0.026) 2.206 3.574 ( -2.085 0.000 -0.467) 2.136 3.626 ( 1.472 0.000 -1.599) 2.174 3.713 ( -1.926 0.000 -7.757) 7.993 3.771 ( -1.850 0.000 -1.066) 2.135 3.865 ( -2.965 0.000 -1.013) 3.133 3.932 ( -0.562 0.000 -4.727) 4.760 3.941 ( -2.038 0.000 -5.663) 6.019 4.022 ( -2.452 0.000 -5.950) 6.436 4.044 ( -1.474 0.000 -8.498) 8.625 4.061 ( -4.078 0.000 -3.752) 5.542 4.207 ( -1.322 0.000 -2.171) 2.542 4.210 ( -4.573 0.000 -3.965) 6.052 4.246 ( -2.312 0.000 -3.642) 4.314 4.286 ( -3.108 0.000 -6.789) 7.467 4.359 ( 0.504 0.000 -7.985) 8.001 4.359 ( 2.056 -0.000 1.930) 2.820 4.397 ( -4.933 0.000 -3.686) 6.158 4.449 ( -4.469 0.000 -5.057) 6.749 4.491 ( 5.230 0.000 -2.630) 5.854 4.529 ( 3.265 0.000 -1.904) 3.780 4.538 ( 1.132 0.000 2.616) 2.851 4.608 ( 2.589 0.000 0.768) 2.701 4.657 ( 4.115 0.000 3.547) 5.433 4.679 ( 2.833 -0.000 7.766) 8.267 4.791 ( 0.891 0.000 2.399) 2.559 4.844 ( 2.674 0.000 1.352) 2.997 4.873 ( -1.163 0.000 -0.319) 1.206 4.923 ( 0.128 0.000 -1.182) 1.189 4.993 ( 1.850 0.000 3.392) 3.864 5.019 ( 2.037 0.000 3.237) 3.825 5.101 ( -0.549 0.000 3.688) 3.728 5.140 ( -0.975 0.000 6.674) 6.745 5.229 ( 2.070 0.000 2.165) 2.996 5.270 ( 0.960 -0.000 4.076) 4.188 5.376 ( -0.493 0.000 -0.486) 0.693 5.383 ( -3.102 -0.000 1.392) 3.400 5.608 ( 1.082 0.000 0.407) 1.156 5.629 ( 1.356 0.000 4.185) 4.400 5.736 ( -1.230 0.000 -1.968) 2.321 5.834 ( -0.883 0.000 6.755) 6.812 5.932 ( 3.180 0.000 4.660) 5.642 6.000 ( 3.198 0.000 2.841) 4.278 6.275 ( 6.282 0.000 -5.982) 8.674 6.396 ( 5.685 0.000 -6.295) 8.482 ======================= Grid point 131 (75/75) ======================= q-point: (-0.14 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -0.125 0.000 5.975) 5.977 1.028 ( -5.782 -0.000 9.176) 10.845 1.184 ( 1.523 0.000 10.974) 11.079 1.278 ( -0.784 0.000 8.870) 8.905 1.460 ( 0.358 0.000 14.164) 14.169 1.534 ( -0.968 0.000 1.642) 1.906 1.670 ( 0.504 0.000 4.925) 4.951 1.695 ( 2.856 0.000 4.952) 5.716 1.774 ( -0.098 0.000 -0.297) 0.313 1.828 ( 6.932 0.000 -3.887) 7.948 2.055 ( -1.411 0.000 -0.259) 1.434 2.084 ( -0.558 0.000 1.889) 1.970 2.127 ( 6.283 0.000 5.021) 8.043 2.236 ( 2.596 0.000 4.858) 5.508 2.277 ( 4.067 0.000 -0.051) 4.067 2.349 ( -2.204 0.000 4.459) 4.974 2.415 ( 3.094 0.000 1.436) 3.411 2.450 ( 6.637 0.000 -0.449) 6.652 2.469 ( 2.351 0.000 2.140) 3.180 2.514 ( 1.764 0.000 -0.151) 1.770 2.599 ( 1.800 0.000 -1.500) 2.343 2.655 ( 2.890 0.000 0.966) 3.047 2.664 ( 1.794 0.000 0.967) 2.038 2.718 ( 0.723 0.000 -3.886) 3.953 2.750 ( 5.104 -0.000 4.813) 7.016 2.805 ( -2.108 -0.000 4.662) 5.117 2.909 ( -4.635 -0.000 -0.080) 4.635 2.939 ( 0.473 0.000 1.536) 1.607 2.961 ( -2.639 0.000 1.282) 2.934 2.967 ( -3.842 0.000 -0.557) 3.882 3.067 ( -1.590 0.000 1.670) 2.306 3.073 ( 1.247 -0.000 -3.254) 3.485 3.151 ( -0.053 0.000 2.003) 2.003 3.176 ( -3.333 0.000 -0.089) 3.334 3.299 ( -3.636 -0.000 -6.864) 7.768 3.305 ( -3.971 0.000 -3.435) 5.251 3.397 ( -5.729 0.000 -1.352) 5.886 3.407 ( -2.370 -0.000 0.733) 2.481 3.474 ( -3.895 0.000 2.348) 4.547 3.529 ( -2.451 0.000 -4.323) 4.969 3.587 ( -0.382 0.000 -3.616) 3.636 3.606 ( 0.471 0.000 -2.152) 2.203 3.687 ( 2.357 0.000 -3.258) 4.021 3.727 ( -1.811 0.000 -2.352) 2.968 3.805 ( -1.877 0.000 -2.091) 2.810 3.834 ( -4.214 0.000 -6.946) 8.125 3.838 ( -7.619 -0.000 -11.259) 13.595 3.905 ( -3.337 0.000 -2.583) 4.219 3.927 ( -2.401 0.000 -7.935) 8.290 3.969 ( -0.563 0.000 -5.552) 5.581 4.090 ( -5.414 0.000 -4.959) 7.342 4.105 ( -4.910 0.000 -9.137) 10.373 4.222 ( 0.183 0.000 0.576) 0.604 4.234 ( -0.436 0.000 -1.806) 1.858 4.294 ( -2.769 0.000 -1.083) 2.973 4.323 ( -3.946 0.000 -2.842) 4.863 4.371 ( 3.771 0.000 -2.714) 4.646 4.404 ( -2.031 0.000 5.737) 6.086 4.544 ( 4.462 0.000 -1.473) 4.699 4.578 ( 2.256 0.000 -0.785) 2.388 4.612 ( 4.569 -0.000 -1.336) 4.760 4.643 ( -0.868 0.000 1.981) 2.163 4.745 ( -0.796 0.000 3.416) 3.508 4.745 ( 3.579 -0.000 0.922) 3.696 4.838 ( 2.332 0.000 1.546) 2.798 4.876 ( 1.307 0.000 4.698) 4.876 4.912 ( 1.699 0.000 -2.235) 2.807 4.927 ( 2.071 0.000 2.791) 3.476 5.035 ( 0.828 0.000 2.228) 2.377 5.069 ( 0.501 0.000 2.062) 2.122 5.118 ( 1.134 0.000 3.949) 4.108 5.176 ( -0.745 0.000 6.574) 6.616 5.286 ( -1.061 0.000 2.379) 2.605 5.289 ( 0.745 -0.000 1.468) 1.646 5.346 ( -0.762 0.000 2.474) 2.588 5.386 ( 2.133 -0.000 -1.722) 2.741 5.626 ( 0.756 0.000 0.323) 0.822 5.642 ( -1.909 0.000 2.984) 3.543 5.742 ( 2.739 0.000 -1.266) 3.017 5.827 ( -2.585 -0.000 3.122) 4.053 6.052 ( 4.252 0.000 7.527) 8.645 6.119 ( 5.251 0.000 5.994) 7.969 6.339 ( 4.607 0.000 -7.171) 8.524 6.434 ( 2.974 0.000 -6.847) 7.465 =================== 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 3/16464 10.0 60.636 37.326 47.595 0.000 3.010 0.000 3/16464 20.0 9.833 4.985 8.490 0.000 1.548 0.000 3/16464 30.0 3.902 1.858 3.517 0.000 0.686 0.000 3/16464 40.0 2.238 1.038 2.071 0.000 0.410 0.000 3/16464 50.0 1.544 0.705 1.459 0.000 0.293 0.000 3/16464 60.0 1.182 0.535 1.135 0.000 0.232 0.000 3/16464 70.0 0.962 0.432 0.937 0.000 0.194 0.000 3/16464 80.0 0.815 0.364 0.802 0.000 0.168 0.000 3/16464 90.0 0.709 0.315 0.704 0.000 0.149 0.000 3/16464 100.0 0.629 0.279 0.629 0.000 0.134 0.000 3/16464 110.0 0.566 0.250 0.570 0.000 0.122 0.000 3/16464 120.0 0.515 0.227 0.521 0.000 0.112 0.000 3/16464 130.0 0.473 0.208 0.480 0.000 0.104 0.000 3/16464 140.0 0.438 0.192 0.445 0.000 0.097 0.000 3/16464 150.0 0.407 0.179 0.415 0.000 0.091 0.000 3/16464 160.0 0.381 0.167 0.389 0.000 0.085 0.000 3/16464 170.0 0.358 0.157 0.367 0.000 0.080 0.000 3/16464 180.0 0.337 0.148 0.346 0.000 0.076 0.000 3/16464 190.0 0.319 0.140 0.328 0.000 0.072 0.000 3/16464 200.0 0.303 0.133 0.312 0.000 0.069 0.000 3/16464 210.0 0.288 0.126 0.297 0.000 0.065 0.000 3/16464 220.0 0.275 0.120 0.284 0.000 0.062 0.000 3/16464 230.0 0.263 0.115 0.271 0.000 0.060 0.000 3/16464 240.0 0.252 0.110 0.260 0.000 0.057 0.000 3/16464 250.0 0.242 0.106 0.250 0.000 0.055 0.000 3/16464 260.0 0.232 0.101 0.240 0.000 0.053 0.000 3/16464 270.0 0.224 0.098 0.231 0.000 0.051 0.000 3/16464 280.0 0.216 0.094 0.223 0.000 0.049 0.000 3/16464 290.0 0.208 0.091 0.215 0.000 0.048 0.000 3/16464 300.0 0.201 0.088 0.208 0.000 0.046 0.000 3/16464 310.0 0.195 0.085 0.202 0.000 0.045 0.000 3/16464 320.0 0.189 0.082 0.195 0.000 0.043 0.000 3/16464 330.0 0.183 0.080 0.189 0.000 0.042 0.000 3/16464 340.0 0.177 0.077 0.184 0.000 0.041 0.000 3/16464 350.0 0.172 0.075 0.179 0.000 0.040 0.000 3/16464 360.0 0.168 0.073 0.174 0.000 0.039 0.000 3/16464 370.0 0.163 0.071 0.169 0.000 0.037 0.000 3/16464 380.0 0.159 0.069 0.165 0.000 0.037 0.000 3/16464 390.0 0.155 0.067 0.160 0.000 0.036 0.000 3/16464 400.0 0.151 0.066 0.156 0.000 0.035 0.000 3/16464 410.0 0.147 0.064 0.153 0.000 0.034 0.000 3/16464 420.0 0.144 0.063 0.149 0.000 0.033 0.000 3/16464 430.0 0.140 0.061 0.146 0.000 0.032 0.000 3/16464 440.0 0.137 0.060 0.142 0.000 0.032 0.000 3/16464 450.0 0.134 0.058 0.139 0.000 0.031 0.000 3/16464 460.0 0.131 0.057 0.136 0.000 0.030 0.000 3/16464 470.0 0.128 0.056 0.133 0.000 0.030 0.000 3/16464 480.0 0.126 0.055 0.130 0.000 0.029 0.000 3/16464 490.0 0.123 0.054 0.128 0.000 0.028 0.000 3/16464 500.0 0.121 0.053 0.125 0.000 0.028 0.000 3/16464 510.0 0.118 0.051 0.123 0.000 0.027 0.000 3/16464 520.0 0.116 0.050 0.120 0.000 0.027 0.000 3/16464 530.0 0.114 0.050 0.118 0.000 0.026 0.000 3/16464 540.0 0.112 0.049 0.116 0.000 0.026 0.000 3/16464 550.0 0.110 0.048 0.114 0.000 0.025 0.000 3/16464 560.0 0.108 0.047 0.112 0.000 0.025 0.000 3/16464 570.0 0.106 0.046 0.110 0.000 0.024 0.000 3/16464 580.0 0.104 0.045 0.108 0.000 0.024 0.000 3/16464 590.0 0.102 0.044 0.106 0.000 0.024 0.000 3/16464 600.0 0.100 0.044 0.104 0.000 0.023 0.000 3/16464 610.0 0.099 0.043 0.103 0.000 0.023 0.000 3/16464 620.0 0.097 0.042 0.101 0.000 0.022 0.000 3/16464 630.0 0.096 0.042 0.100 0.000 0.022 0.000 3/16464 640.0 0.094 0.041 0.098 0.000 0.022 0.000 3/16464 650.0 0.093 0.040 0.096 0.000 0.021 0.000 3/16464 660.0 0.091 0.040 0.095 0.000 0.021 0.000 3/16464 670.0 0.090 0.039 0.094 0.000 0.021 0.000 3/16464 680.0 0.089 0.039 0.092 0.000 0.021 0.000 3/16464 690.0 0.087 0.038 0.091 0.000 0.020 0.000 3/16464 700.0 0.086 0.037 0.090 0.000 0.020 0.000 3/16464 710.0 0.085 0.037 0.088 0.000 0.020 0.000 3/16464 720.0 0.084 0.036 0.087 0.000 0.019 0.000 3/16464 730.0 0.083 0.036 0.086 0.000 0.019 0.000 3/16464 740.0 0.081 0.035 0.085 0.000 0.019 0.000 3/16464 750.0 0.080 0.035 0.084 0.000 0.019 0.000 3/16464 760.0 0.079 0.035 0.083 0.000 0.018 0.000 3/16464 770.0 0.078 0.034 0.081 0.000 0.018 0.000 3/16464 780.0 0.077 0.034 0.080 0.000 0.018 0.000 3/16464 790.0 0.076 0.033 0.079 0.000 0.018 0.000 3/16464 800.0 0.075 0.033 0.078 0.000 0.017 0.000 3/16464 810.0 0.074 0.032 0.077 0.000 0.017 0.000 3/16464 820.0 0.074 0.032 0.077 0.000 0.017 0.000 3/16464 830.0 0.073 0.032 0.076 0.000 0.017 0.000 3/16464 840.0 0.072 0.031 0.075 0.000 0.017 0.000 3/16464 850.0 0.071 0.031 0.074 0.000 0.016 0.000 3/16464 860.0 0.070 0.031 0.073 0.000 0.016 0.000 3/16464 870.0 0.069 0.030 0.072 0.000 0.016 0.000 3/16464 880.0 0.069 0.030 0.071 0.000 0.016 0.000 3/16464 890.0 0.068 0.029 0.070 0.000 0.016 0.000 3/16464 900.0 0.067 0.029 0.070 0.000 0.016 0.000 3/16464 910.0 0.066 0.029 0.069 0.000 0.015 0.000 3/16464 920.0 0.066 0.029 0.068 0.000 0.015 0.000 3/16464 930.0 0.065 0.028 0.067 0.000 0.015 0.000 3/16464 940.0 0.064 0.028 0.067 0.000 0.015 0.000 3/16464 950.0 0.063 0.028 0.066 0.000 0.015 0.000 3/16464 960.0 0.063 0.027 0.065 0.000 0.015 0.000 3/16464 970.0 0.062 0.027 0.065 0.000 0.014 0.000 3/16464 980.0 0.062 0.027 0.064 0.000 0.014 0.000 3/16464 990.0 0.061 0.026 0.063 0.000 0.014 0.000 3/16464 1000.0 0.060 0.026 0.063 0.000 0.014 0.000 3/16464 Thermal conductivity related properties were written into "kappa-m747.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:43:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|