----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:57:34]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.429954640001663 0.000000000000000 0.000000000000000 b 0.000000000000000 9.561712290000001 0.000000000000000 c -9.302453501695378 0.000000000000000 10.066992304284936 Atomic positions (fractional): *1 F 0.77522269770361 0.03782073869525 0.34316981755846 18.998 2 F 0.22477730229639 0.53782073869525 0.15683018244154 18.998 3 F 0.22477730229639 0.96217926130475 0.65683018244154 18.998 4 F 0.77522269770361 0.46217926130475 0.84316981755846 18.998 *5 F 0.44602714028292 0.63443755400758 0.94041048401874 18.998 6 F 0.55397285971708 0.13443755400758 0.55958951598126 18.998 7 F 0.55397285971708 0.36556244599242 0.05958951598126 18.998 8 F 0.44602714028292 0.86556244599242 0.44041048401874 18.998 *9 F 0.15706807762041 0.23347707678260 0.44926964860182 18.998 10 F 0.84293192237959 0.73347707678260 0.05073035139818 18.998 11 F 0.84293192237959 0.76652292321740 0.55073035139818 18.998 12 F 0.15706807762041 0.26652292321740 0.94926964860182 18.998 *13 F 0.43128050499052 0.41698284041582 0.55898397032648 18.998 14 F 0.56871949500949 0.91698284041582 0.94101602967352 18.998 15 F 0.56871949500949 0.58301715958418 0.44101602967352 18.998 16 F 0.43128050499052 0.08301715958418 0.05898397032648 18.998 *17 F 0.36288478828934 0.48655099357024 0.70593291291562 18.998 *18 F 0.56362283700313 0.72959092848199 0.80080838230927 18.998 19 F 0.43637716299687 0.27040907151801 0.19919161769073 18.998 20 F 0.56362283700313 0.77040907151801 0.30080838230927 18.998 *21 F 0.83626731075253 0.91400947201475 0.71498148075583 18.998 22 F 0.16373268924747 0.41400947201475 0.78501851924417 18.998 23 F 0.16373268924747 0.08599052798525 0.28501851924417 18.998 24 F 0.83626731075253 0.58599052798525 0.21498148075583 18.998 *25 F 0.19556215238544 0.90120408723799 0.83432636746308 18.998 26 F 0.80443784761456 0.40120408723799 0.66567363253692 18.998 27 F 0.80443784761456 0.09879591276201 0.16567363253692 18.998 28 F 0.19556215238544 0.59879591276201 0.33432636746308 18.998 *29 F 0.73713164872921 0.28504352568849 0.46733479432600 18.998 30 F 0.26286835127079 0.78504352568849 0.03266520567400 18.998 31 F 0.26286835127079 0.71495647431151 0.53266520567400 18.998 32 F 0.73713164872921 0.21495647431151 0.96733479432600 18.998 *33 F 0.98631603783603 0.17294839388590 0.69414938885695 18.998 34 F 0.01368396216397 0.67294839388590 0.80585061114305 18.998 35 F 0.01368396216397 0.82705160611410 0.30585061114305 18.998 36 F 0.98631603783603 0.32705160611410 0.19414938885695 18.998 *37 F 0.09591087162292 0.29685397971117 0.59209484059060 18.998 38 F 0.90408912837708 0.79685397971117 0.90790515940940 18.998 39 F 0.90408912837708 0.70314602028883 0.40790515940940 18.998 40 F 0.09591087162292 0.20314602028883 0.09209484059060 18.998 *41 F 0.08339506512322 0.48186311407504 0.44729020634945 18.998 42 F 0.91660493487678 0.98186311407504 0.05270979365055 18.998 43 F 0.91660493487678 0.51813688592496 0.55270979365055 18.998 44 F 0.08339506512322 0.01813688592496 0.94729020634945 18.998 45 F 0.36288478828934 0.01344900642976 0.20593291291562 18.998 46 F 0.63711521171066 0.51344900642976 0.29406708708438 18.998 47 F 0.63711521171066 0.98655099357024 0.79406708708438 18.998 48 F 0.43637716299687 0.22959092848199 0.69919161769073 18.998 *49 Al 0.73070226182911 0.63886690867932 0.42032184795472 26.982 50 Al 0.26929773817089 0.13886690867932 0.07967815204528 26.982 51 Al 0.26929773817089 0.36113309132068 0.57967815204528 26.982 52 Al 0.73070226182911 0.86113309132068 0.92032184795472 26.982 *53 Al 0.94736540787900 0.34870371449886 0.62980906018080 26.982 54 Al 0.05263459212100 0.84870371449886 0.87019093981920 26.982 55 Al 0.05263459212100 0.65129628550114 0.37019093981919 26.982 56 Al 0.94736540787900 0.15129628550114 0.12980906018081 26.982 *57 Pb 0.29023492649471 0.99674660778608 0.49871193107276 207.200 58 Pb 0.70976507350528 0.49674660778608 0.00128806892724 207.200 59 Pb 0.70976507350528 0.00325339221392 0.50128806892724 207.200 60 Pb 0.29023492649471 0.50325339221392 0.99871193107276 207.200 *61 Pb 0.23130656681125 0.78462789846002 0.21137992457593 207.200 62 Pb 0.76869343318875 0.28462789846002 0.28862007542407 207.200 63 Pb 0.76869343318875 0.21537210153998 0.78862007542407 207.200 64 Pb 0.23130656681125 0.71537210153998 0.71137992457593 207.200 *65 Pb 0.65523817512926 0.88622668680782 0.17237273556398 207.200 66 Pb 0.34476182487074 0.38622668680782 0.32762726443602 207.200 67 Pb 0.34476182487074 0.11377331319218 0.82762726443602 207.200 68 Pb 0.65523817512926 0.61377331319218 0.67237273556398 207.200 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.429954640001663 0.000000000000000 0.000000000000000 b 0.000000000000000 9.561712290000001 0.000000000000000 c -9.302453501695378 0.000000000000000 10.066992304284936 Atomic positions (fractional): *1 F 0.77522269770361 0.03782073869525 0.34316981755846 18.998 > 1 2 F 0.22477730229639 0.53782073869525 0.15683018244154 18.998 > 2 3 F 0.22477730229639 0.96217926130475 0.65683018244154 18.998 > 3 4 F 0.77522269770361 0.46217926130475 0.84316981755846 18.998 > 4 *5 F 0.44602714028292 0.63443755400758 0.94041048401874 18.998 > 5 6 F 0.55397285971708 0.13443755400758 0.55958951598126 18.998 > 6 7 F 0.55397285971708 0.36556244599242 0.05958951598126 18.998 > 7 8 F 0.44602714028292 0.86556244599242 0.44041048401874 18.998 > 8 *9 F 0.15706807762041 0.23347707678260 0.44926964860182 18.998 > 9 10 F 0.84293192237959 0.73347707678260 0.05073035139818 18.998 > 10 11 F 0.84293192237959 0.76652292321740 0.55073035139818 18.998 > 11 12 F 0.15706807762041 0.26652292321740 0.94926964860182 18.998 > 12 *13 F 0.43128050499052 0.41698284041582 0.55898397032648 18.998 > 13 14 F 0.56871949500949 0.91698284041582 0.94101602967352 18.998 > 14 15 F 0.56871949500949 0.58301715958418 0.44101602967352 18.998 > 15 16 F 0.43128050499052 0.08301715958418 0.05898397032648 18.998 > 16 *17 F 0.36288478828934 0.48655099357024 0.70593291291562 18.998 > 17 *18 F 0.56362283700313 0.72959092848199 0.80080838230927 18.998 > 18 19 F 0.43637716299687 0.27040907151801 0.19919161769073 18.998 > 19 20 F 0.56362283700313 0.77040907151801 0.30080838230927 18.998 > 20 *21 F 0.83626731075253 0.91400947201475 0.71498148075583 18.998 > 21 22 F 0.16373268924747 0.41400947201475 0.78501851924417 18.998 > 22 23 F 0.16373268924747 0.08599052798525 0.28501851924417 18.998 > 23 24 F 0.83626731075253 0.58599052798525 0.21498148075583 18.998 > 24 *25 F 0.19556215238544 0.90120408723799 0.83432636746308 18.998 > 25 26 F 0.80443784761456 0.40120408723799 0.66567363253692 18.998 > 26 27 F 0.80443784761456 0.09879591276201 0.16567363253692 18.998 > 27 28 F 0.19556215238544 0.59879591276201 0.33432636746308 18.998 > 28 *29 F 0.73713164872921 0.28504352568849 0.46733479432600 18.998 > 29 30 F 0.26286835127079 0.78504352568849 0.03266520567400 18.998 > 30 31 F 0.26286835127079 0.71495647431151 0.53266520567400 18.998 > 31 32 F 0.73713164872921 0.21495647431151 0.96733479432600 18.998 > 32 *33 F 0.98631603783603 0.17294839388590 0.69414938885695 18.998 > 33 34 F 0.01368396216397 0.67294839388590 0.80585061114305 18.998 > 34 35 F 0.01368396216397 0.82705160611410 0.30585061114305 18.998 > 35 36 F 0.98631603783603 0.32705160611410 0.19414938885695 18.998 > 36 *37 F 0.09591087162292 0.29685397971117 0.59209484059060 18.998 > 37 38 F 0.90408912837708 0.79685397971117 0.90790515940940 18.998 > 38 39 F 0.90408912837708 0.70314602028883 0.40790515940940 18.998 > 39 40 F 0.09591087162292 0.20314602028883 0.09209484059060 18.998 > 40 *41 F 0.08339506512322 0.48186311407504 0.44729020634945 18.998 > 41 42 F 0.91660493487678 0.98186311407504 0.05270979365055 18.998 > 42 43 F 0.91660493487678 0.51813688592496 0.55270979365055 18.998 > 43 44 F 0.08339506512322 0.01813688592496 0.94729020634945 18.998 > 44 45 F 0.36288478828934 0.01344900642976 0.20593291291562 18.998 > 45 46 F 0.63711521171066 0.51344900642976 0.29406708708438 18.998 > 46 47 F 0.63711521171066 0.98655099357024 0.79406708708438 18.998 > 47 48 F 0.43637716299687 0.22959092848199 0.69919161769073 18.998 > 48 *49 Al 0.73070226182911 0.63886690867932 0.42032184795472 26.982 > 49 50 Al 0.26929773817089 0.13886690867932 0.07967815204528 26.982 > 50 51 Al 0.26929773817089 0.36113309132068 0.57967815204528 26.982 > 51 52 Al 0.73070226182911 0.86113309132068 0.92032184795472 26.982 > 52 *53 Al 0.94736540787900 0.34870371449886 0.62980906018080 26.982 > 53 54 Al 0.05263459212100 0.84870371449886 0.87019093981920 26.982 > 54 55 Al 0.05263459212100 0.65129628550114 0.37019093981919 26.982 > 55 56 Al 0.94736540787900 0.15129628550114 0.12980906018081 26.982 > 56 *57 Pb 0.29023492649471 0.99674660778608 0.49871193107276 207.200 > 57 58 Pb 0.70976507350528 0.49674660778608 0.00128806892724 207.200 > 58 59 Pb 0.70976507350528 0.00325339221392 0.50128806892724 207.200 > 59 60 Pb 0.29023492649471 0.50325339221392 0.99871193107276 207.200 > 60 *61 Pb 0.23130656681125 0.78462789846002 0.21137992457593 207.200 > 61 62 Pb 0.76869343318875 0.28462789846002 0.28862007542407 207.200 > 62 63 Pb 0.76869343318875 0.21537210153998 0.78862007542407 207.200 > 63 64 Pb 0.23130656681125 0.71537210153998 0.71137992457593 207.200 > 64 *65 Pb 0.65523817512926 0.88622668680782 0.17237273556398 207.200 > 65 66 Pb 0.34476182487074 0.38622668680782 0.32762726443602 207.200 > 66 67 Pb 0.34476182487074 0.11377331319218 0.82762726443602 207.200 > 67 68 Pb 0.65523817512926 0.61377331319218 0.67237273556398 207.200 > 68 -------------------------------- super cell -------------------------------- Lattice vectors: a 18.859909280003325 0.000000000000000 0.000000000000000 b 0.000000000000000 9.561712290000001 0.000000000000000 c -9.302453501695378 0.000000000000000 10.066992304284936 Atomic positions (fractional): *1 F 0.38761134885180 0.03782073869525 0.34316981755846 18.998 > 1 2 F 0.88761134885180 0.03782073869525 0.34316981755846 18.998 > 1 3 F 0.11238865114820 0.53782073869525 0.15683018244154 18.998 > 2 4 F 0.61238865114819 0.53782073869525 0.15683018244154 18.998 > 2 5 F 0.11238865114820 0.96217926130475 0.65683018244154 18.998 > 3 6 F 0.61238865114819 0.96217926130475 0.65683018244154 18.998 > 3 7 F 0.38761134885180 0.46217926130475 0.84316981755846 18.998 > 4 8 F 0.88761134885180 0.46217926130475 0.84316981755846 18.998 > 4 *9 F 0.22301357014146 0.63443755400758 0.94041048401874 18.998 > 5 10 F 0.72301357014146 0.63443755400758 0.94041048401874 18.998 > 5 11 F 0.27698642985854 0.13443755400758 0.55958951598126 18.998 > 6 12 F 0.77698642985854 0.13443755400758 0.55958951598126 18.998 > 6 13 F 0.27698642985854 0.36556244599242 0.05958951598126 18.998 > 7 14 F 0.77698642985854 0.36556244599242 0.05958951598126 18.998 > 7 15 F 0.22301357014146 0.86556244599242 0.44041048401874 18.998 > 8 16 F 0.72301357014146 0.86556244599242 0.44041048401874 18.998 > 8 *17 F 0.07853403881020 0.23347707678260 0.44926964860182 18.998 > 9 18 F 0.57853403881020 0.23347707678260 0.44926964860182 18.998 > 9 19 F 0.42146596118980 0.73347707678260 0.05073035139818 18.998 > 10 20 F 0.92146596118980 0.73347707678260 0.05073035139818 18.998 > 10 21 F 0.42146596118980 0.76652292321740 0.55073035139818 18.998 > 11 22 F 0.92146596118980 0.76652292321740 0.55073035139818 18.998 > 11 23 F 0.07853403881020 0.26652292321740 0.94926964860182 18.998 > 12 24 F 0.57853403881020 0.26652292321740 0.94926964860182 18.998 > 12 *25 F 0.21564025249526 0.41698284041582 0.55898397032648 18.998 > 13 26 F 0.71564025249526 0.41698284041582 0.55898397032648 18.998 > 13 27 F 0.28435974750474 0.91698284041582 0.94101602967352 18.998 > 14 28 F 0.78435974750474 0.91698284041582 0.94101602967352 18.998 > 14 29 F 0.28435974750474 0.58301715958418 0.44101602967352 18.998 > 15 30 F 0.78435974750474 0.58301715958418 0.44101602967352 18.998 > 15 31 F 0.21564025249526 0.08301715958418 0.05898397032648 18.998 > 16 32 F 0.71564025249526 0.08301715958418 0.05898397032648 18.998 > 16 *33 F 0.18144239414467 0.48655099357024 0.70593291291562 18.998 > 17 34 F 0.68144239414467 0.48655099357024 0.70593291291562 18.998 > 17 *35 F 0.28181141850156 0.72959092848199 0.80080838230927 18.998 > 18 36 F 0.78181141850156 0.72959092848199 0.80080838230927 18.998 > 18 37 F 0.21818858149844 0.27040907151801 0.19919161769073 18.998 > 19 38 F 0.71818858149844 0.27040907151801 0.19919161769073 18.998 > 19 39 F 0.28181141850156 0.77040907151801 0.30080838230927 18.998 > 20 40 F 0.78181141850156 0.77040907151801 0.30080838230927 18.998 > 20 *41 F 0.41813365537627 0.91400947201475 0.71498148075583 18.998 > 21 42 F 0.91813365537627 0.91400947201475 0.71498148075583 18.998 > 21 43 F 0.08186634462373 0.41400947201475 0.78501851924417 18.998 > 22 44 F 0.58186634462373 0.41400947201475 0.78501851924417 18.998 > 22 45 F 0.08186634462373 0.08599052798525 0.28501851924417 18.998 > 23 46 F 0.58186634462373 0.08599052798525 0.28501851924417 18.998 > 23 47 F 0.41813365537627 0.58599052798525 0.21498148075583 18.998 > 24 48 F 0.91813365537627 0.58599052798525 0.21498148075583 18.998 > 24 *49 F 0.09778107619272 0.90120408723799 0.83432636746308 18.998 > 25 50 F 0.59778107619272 0.90120408723799 0.83432636746308 18.998 > 25 51 F 0.40221892380728 0.40120408723799 0.66567363253692 18.998 > 26 52 F 0.90221892380728 0.40120408723799 0.66567363253692 18.998 > 26 53 F 0.40221892380728 0.09879591276201 0.16567363253692 18.998 > 27 54 F 0.90221892380728 0.09879591276201 0.16567363253692 18.998 > 27 55 F 0.09778107619272 0.59879591276201 0.33432636746308 18.998 > 28 56 F 0.59778107619272 0.59879591276201 0.33432636746308 18.998 > 28 *57 F 0.36856582436461 0.28504352568849 0.46733479432600 18.998 > 29 58 F 0.86856582436461 0.28504352568849 0.46733479432600 18.998 > 29 59 F 0.13143417563539 0.78504352568849 0.03266520567400 18.998 > 30 60 F 0.63143417563539 0.78504352568849 0.03266520567400 18.998 > 30 61 F 0.13143417563539 0.71495647431151 0.53266520567400 18.998 > 31 62 F 0.63143417563539 0.71495647431151 0.53266520567400 18.998 > 31 63 F 0.36856582436461 0.21495647431151 0.96733479432600 18.998 > 32 64 F 0.86856582436461 0.21495647431151 0.96733479432600 18.998 > 32 *65 F 0.49315801891801 0.17294839388590 0.69414938885695 18.998 > 33 66 F 0.99315801891801 0.17294839388590 0.69414938885695 18.998 > 33 67 F 0.00684198108199 0.67294839388590 0.80585061114305 18.998 > 34 68 F 0.50684198108199 0.67294839388590 0.80585061114305 18.998 > 34 69 F 0.00684198108199 0.82705160611410 0.30585061114305 18.998 > 35 70 F 0.50684198108199 0.82705160611410 0.30585061114305 18.998 > 35 71 F 0.49315801891801 0.32705160611410 0.19414938885695 18.998 > 36 72 F 0.99315801891801 0.32705160611410 0.19414938885695 18.998 > 36 *73 F 0.04795543581146 0.29685397971117 0.59209484059060 18.998 > 37 74 F 0.54795543581146 0.29685397971117 0.59209484059060 18.998 > 37 75 F 0.45204456418854 0.79685397971117 0.90790515940940 18.998 > 38 76 F 0.95204456418854 0.79685397971117 0.90790515940940 18.998 > 38 77 F 0.45204456418854 0.70314602028883 0.40790515940940 18.998 > 39 78 F 0.95204456418854 0.70314602028883 0.40790515940940 18.998 > 39 79 F 0.04795543581146 0.20314602028883 0.09209484059060 18.998 > 40 80 F 0.54795543581146 0.20314602028883 0.09209484059060 18.998 > 40 *81 F 0.04169753256161 0.48186311407504 0.44729020634945 18.998 > 41 82 F 0.54169753256161 0.48186311407504 0.44729020634945 18.998 > 41 83 F 0.45830246743839 0.98186311407504 0.05270979365055 18.998 > 42 84 F 0.95830246743839 0.98186311407504 0.05270979365055 18.998 > 42 85 F 0.45830246743839 0.51813688592496 0.55270979365055 18.998 > 43 86 F 0.95830246743839 0.51813688592496 0.55270979365055 18.998 > 43 87 F 0.04169753256161 0.01813688592496 0.94729020634945 18.998 > 44 88 F 0.54169753256161 0.01813688592496 0.94729020634945 18.998 > 44 89 F 0.18144239414467 0.01344900642976 0.20593291291562 18.998 > 45 90 F 0.68144239414467 0.01344900642976 0.20593291291562 18.998 > 45 91 F 0.31855760585533 0.51344900642976 0.29406708708438 18.998 > 46 92 F 0.81855760585533 0.51344900642976 0.29406708708438 18.998 > 46 93 F 0.31855760585533 0.98655099357024 0.79406708708438 18.998 > 47 94 F 0.81855760585533 0.98655099357024 0.79406708708438 18.998 > 47 95 F 0.21818858149844 0.22959092848199 0.69919161769073 18.998 > 48 96 F 0.71818858149844 0.22959092848199 0.69919161769073 18.998 > 48 *97 Al 0.36535113091455 0.63886690867932 0.42032184795472 26.982 > 49 98 Al 0.86535113091455 0.63886690867932 0.42032184795472 26.982 > 49 99 Al 0.13464886908545 0.13886690867932 0.07967815204528 26.982 > 50 100 Al 0.63464886908545 0.13886690867932 0.07967815204528 26.982 > 50 101 Al 0.13464886908545 0.36113309132068 0.57967815204528 26.982 > 51 102 Al 0.63464886908545 0.36113309132068 0.57967815204528 26.982 > 51 103 Al 0.36535113091455 0.86113309132068 0.92032184795472 26.982 > 52 104 Al 0.86535113091455 0.86113309132068 0.92032184795472 26.982 > 52 *105 Al 0.47368270393950 0.34870371449886 0.62980906018080 26.982 > 53 106 Al 0.97368270393950 0.34870371449886 0.62980906018080 26.982 > 53 107 Al 0.02631729606050 0.84870371449886 0.87019093981920 26.982 > 54 108 Al 0.52631729606050 0.84870371449886 0.87019093981920 26.982 > 54 109 Al 0.02631729606050 0.65129628550114 0.37019093981919 26.982 > 55 110 Al 0.52631729606050 0.65129628550114 0.37019093981919 26.982 > 55 111 Al 0.47368270393950 0.15129628550114 0.12980906018081 26.982 > 56 112 Al 0.97368270393950 0.15129628550114 0.12980906018081 26.982 > 56 *113 Pb 0.14511746324736 0.99674660778608 0.49871193107276 207.200 > 57 114 Pb 0.64511746324736 0.99674660778608 0.49871193107276 207.200 > 57 115 Pb 0.35488253675264 0.49674660778608 0.00128806892724 207.200 > 58 116 Pb 0.85488253675264 0.49674660778608 0.00128806892724 207.200 > 58 117 Pb 0.35488253675264 0.00325339221392 0.50128806892724 207.200 > 59 118 Pb 0.85488253675264 0.00325339221392 0.50128806892724 207.200 > 59 119 Pb 0.14511746324736 0.50325339221392 0.99871193107276 207.200 > 60 120 Pb 0.64511746324736 0.50325339221392 0.99871193107276 207.200 > 60 *121 Pb 0.11565328340562 0.78462789846002 0.21137992457593 207.200 > 61 122 Pb 0.61565328340562 0.78462789846002 0.21137992457593 207.200 > 61 123 Pb 0.38434671659438 0.28462789846002 0.28862007542407 207.200 > 62 124 Pb 0.88434671659438 0.28462789846002 0.28862007542407 207.200 > 62 125 Pb 0.38434671659438 0.21537210153998 0.78862007542407 207.200 > 63 126 Pb 0.88434671659438 0.21537210153998 0.78862007542407 207.200 > 63 127 Pb 0.11565328340562 0.71537210153998 0.71137992457593 207.200 > 64 128 Pb 0.61565328340562 0.71537210153998 0.71137992457593 207.200 > 64 *129 Pb 0.32761908756463 0.88622668680782 0.17237273556398 207.200 > 65 130 Pb 0.82761908756463 0.88622668680782 0.17237273556398 207.200 > 65 131 Pb 0.17238091243537 0.38622668680782 0.32762726443602 207.200 > 66 132 Pb 0.67238091243537 0.38622668680782 0.32762726443602 207.200 > 66 133 Pb 0.17238091243537 0.11377331319218 0.82762726443602 207.200 > 67 134 Pb 0.67238091243537 0.11377331319218 0.82762726443602 207.200 > 67 135 Pb 0.32761908756463 0.61377331319218 0.67237273556398 207.200 > 68 136 Pb 0.82761908756463 0.61377331319218 0.67237273556398 207.200 > 68 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9198476 0.0000000 -0.0331028 0.0000000 2.9501977 0.0000000 -0.0331030 0.0000000 2.9033814 -------------------------- Born effective charges -------------------------- 1 F -1.0846118 -0.0494190 0.5627211 -0.0955018 -1.8357225 -0.2834330 0.5083075 -0.2892973 -1.3818599 2 F -1.0846118 0.0494190 0.5627211 0.0955018 -1.8357225 0.2834330 0.5083075 0.2892973 -1.3818599 3 F -1.0846118 -0.0494190 0.5627211 -0.0955018 -1.8357225 -0.2834330 0.5083075 -0.2892973 -1.3818599 4 F -1.0846118 0.0494190 0.5627211 0.0955018 -1.8357225 0.2834330 0.5083075 0.2892973 -1.3818599 5 F -1.7516817 0.0215832 0.0975338 0.0015413 -1.2015875 0.5474464 0.0381240 0.5300903 -1.4888153 6 F -1.7516817 -0.0215832 0.0975338 -0.0015413 -1.2015875 -0.5474464 0.0381240 -0.5300903 -1.4888153 7 F -1.7516817 0.0215832 0.0975338 0.0015413 -1.2015875 0.5474464 0.0381240 0.5300903 -1.4888153 8 F -1.7516817 -0.0215832 0.0975338 -0.0015413 -1.2015875 -0.5474464 0.0381240 -0.5300903 -1.4888153 9 F -1.1166119 0.3733790 -0.2847658 0.2891443 -1.6007406 -0.0098744 -0.2597718 -0.0120747 -1.1183096 10 F -1.1166119 -0.3733790 -0.2847658 -0.2891443 -1.6007406 0.0098744 -0.2597718 0.0120747 -1.1183096 11 F -1.1166119 0.3733790 -0.2847658 0.2891443 -1.6007406 -0.0098744 -0.2597718 -0.0120747 -1.1183096 12 F -1.1166119 -0.3733790 -0.2847658 -0.2891443 -1.6007406 0.0098744 -0.2597718 0.0120747 -1.1183096 13 F -1.3477499 -0.3551153 0.1237112 -0.3708124 -1.2172288 -0.1745244 0.0541722 -0.3126003 -1.3075391 14 F -1.3477499 0.3551153 0.1237112 0.3708124 -1.2172288 0.1745244 0.0541722 0.3126003 -1.3075391 15 F -1.3477499 -0.3551153 0.1237112 -0.3708124 -1.2172288 -0.1745244 0.0541722 -0.3126003 -1.3075391 16 F -1.3477499 0.3551153 0.1237112 0.3708124 -1.2172288 0.1745244 0.0541722 0.3126003 -1.3075391 17 F -1.0012474 0.3106289 0.0709871 0.3466490 -1.4902845 -0.2778038 0.0828217 -0.2584511 -1.1864647 18 F -1.6495522 0.0082635 -0.0803845 0.0859059 -1.1469747 -0.2371844 -0.0853544 -0.1937467 -1.1478128 19 F -1.6495522 0.0082635 -0.0803845 0.0859059 -1.1469747 -0.2371844 -0.0853544 -0.1937467 -1.1478128 20 F -1.6495522 -0.0082635 -0.0803845 -0.0859059 -1.1469747 0.2371844 -0.0853544 0.1937467 -1.1478128 21 F -0.8851270 -0.0371634 0.0826496 -0.0440162 -1.1526151 0.3297303 0.0450021 0.4268510 -1.7076714 22 F -0.8851270 0.0371634 0.0826496 0.0440162 -1.1526151 -0.3297303 0.0450021 -0.4268510 -1.7076714 23 F -0.8851270 -0.0371634 0.0826496 -0.0440162 -1.1526151 0.3297303 0.0450021 0.4268510 -1.7076714 24 F -0.8851270 0.0371634 0.0826496 0.0440162 -1.1526151 -0.3297303 0.0450021 -0.4268510 -1.7076714 25 F -1.5541249 -0.2638735 0.2631744 -0.2237415 -1.3887010 -0.1328128 0.2448538 -0.0820526 -0.8976602 26 F -1.5541249 0.2638735 0.2631744 0.2237415 -1.3887010 0.1328128 0.2448538 0.0820526 -0.8976602 27 F -1.5541249 -0.2638735 0.2631744 -0.2237415 -1.3887010 -0.1328128 0.2448538 -0.0820526 -0.8976602 28 F -1.5541249 0.2638735 0.2631744 0.2237415 -1.3887010 0.1328128 0.2448538 0.0820526 -0.8976602 29 F -1.2185331 -0.0402869 0.0826930 -0.0381754 -1.2272238 -0.0221170 0.1020093 -0.0289029 -1.4241713 30 F -1.2185331 0.0402869 0.0826930 0.0381754 -1.2272238 0.0221170 0.1020093 0.0289029 -1.4241713 31 F -1.2185331 -0.0402869 0.0826930 -0.0381754 -1.2272238 -0.0221170 0.1020093 -0.0289029 -1.4241713 32 F -1.2185331 0.0402869 0.0826930 0.0381754 -1.2272238 0.0221170 0.1020093 0.0289029 -1.4241713 33 F -1.3908182 -0.0031990 -0.4278506 0.0290949 -1.3198164 -0.0299096 -0.3787050 -0.1039573 -1.2240471 34 F -1.3908182 0.0031990 -0.4278506 -0.0290949 -1.3198164 0.0299096 -0.3787050 0.1039573 -1.2240471 35 F -1.3908182 -0.0031990 -0.4278506 0.0290949 -1.3198164 -0.0299096 -0.3787050 -0.1039573 -1.2240471 36 F -1.3908182 0.0031990 -0.4278506 -0.0290949 -1.3198164 0.0299096 -0.3787050 0.1039573 -1.2240471 37 F -1.5690030 -0.0159312 0.0830563 -0.0045612 -0.9004567 0.0943517 0.0662061 0.0721408 -1.1449791 38 F -1.5690030 0.0159312 0.0830563 0.0045612 -0.9004567 -0.0943517 0.0662061 -0.0721408 -1.1449791 39 F -1.5690030 -0.0159312 0.0830563 -0.0045612 -0.9004567 0.0943517 0.0662061 0.0721408 -1.1449791 40 F -1.5690030 0.0159312 0.0830563 0.0045612 -0.9004567 -0.0943517 0.0662061 -0.0721408 -1.1449791 41 F -0.9176219 -0.1030874 -0.1319641 -0.1600688 -1.4517684 0.2043570 -0.1505332 0.2503700 -1.1920281 42 F -0.9176219 0.1030874 -0.1319641 0.1600688 -1.4517684 -0.2043570 -0.1505332 -0.2503700 -1.1920281 43 F -0.9176219 -0.1030874 -0.1319641 -0.1600688 -1.4517684 0.2043570 -0.1505332 0.2503700 -1.1920281 44 F -0.9176219 0.1030874 -0.1319641 0.1600688 -1.4517684 -0.2043570 -0.1505332 -0.2503700 -1.1920281 45 F -1.0012474 -0.3106289 0.0709871 -0.3466490 -1.4902845 0.2778038 0.0828217 0.2584511 -1.1864647 46 F -1.0012474 0.3106289 0.0709871 0.3466490 -1.4902845 -0.2778038 0.0828217 -0.2584511 -1.1864647 47 F -1.0012474 -0.3106289 0.0709871 -0.3466490 -1.4902845 0.2778038 0.0828217 0.2584511 -1.1864647 48 F -1.6495522 -0.0082635 -0.0803845 -0.0859059 -1.1469747 0.2371844 -0.0853544 0.1937467 -1.1478128 49 Al 3.0842933 -0.0080598 0.0006089 0.1287238 3.2064344 0.1348736 0.0309936 -0.0022571 3.0021720 50 Al 3.0842933 0.0080598 0.0006089 -0.1287238 3.2064344 -0.1348736 0.0309936 0.0022571 3.0021720 51 Al 3.0842933 -0.0080598 0.0006089 0.1287238 3.2064344 0.1348736 0.0309936 -0.0022571 3.0021720 52 Al 3.0842933 0.0080598 0.0006089 -0.1287238 3.2064344 -0.1348736 0.0309936 0.0022571 3.0021720 53 Al 3.1026015 -0.0892117 -0.0658391 0.0438470 3.0769714 0.0218534 0.0755187 0.1880653 3.1605841 54 Al 3.1026015 0.0892117 -0.0658391 -0.0438470 3.0769714 -0.0218534 0.0755187 -0.1880653 3.1605841 55 Al 3.1026015 -0.0892117 -0.0658391 0.0438470 3.0769714 0.0218534 0.0755187 0.1880653 3.1605841 56 Al 3.1026015 0.0892117 -0.0658391 -0.0438470 3.0769714 -0.0218534 0.0755187 -0.1880653 3.1605841 57 Pb 3.1390588 0.0768496 -0.2866972 0.1036047 3.2110500 0.0323100 -0.4096233 0.0911186 2.9327865 58 Pb 3.1390588 -0.0768496 -0.2866972 -0.1036047 3.2110500 -0.0323100 -0.4096233 -0.0911186 2.9327865 59 Pb 3.1390588 0.0768496 -0.2866972 0.1036047 3.2110500 0.0323100 -0.4096233 0.0911186 2.9327865 60 Pb 3.1390588 -0.0768496 -0.2866972 -0.1036047 3.2110500 -0.0323100 -0.4096233 -0.0911186 2.9327865 61 Pb 3.1453189 0.1452041 0.0048987 0.2197879 3.3181420 0.3569820 0.0318520 0.1433276 3.0562620 62 Pb 3.1453189 -0.1452041 0.0048987 -0.2197879 3.3181420 -0.3569820 0.0318520 -0.1433276 3.0562620 63 Pb 3.1453189 0.1452041 0.0048987 0.2197879 3.3181420 0.3569820 0.0318520 0.1433276 3.0562620 64 Pb 3.1453189 -0.1452041 0.0048987 -0.2197879 3.3181420 -0.3569820 0.0318520 -0.1433276 3.0562620 65 Pb 3.0154105 -0.0999575 -0.0945326 0.0173830 3.1205224 0.0816049 0.0041266 -0.0622267 3.0695539 66 Pb 3.0154105 0.0999575 -0.0945326 -0.0173830 3.1205224 -0.0816049 0.0041266 0.0622267 3.0695539 67 Pb 3.0154105 -0.0999575 -0.0945326 0.0173830 3.1205224 0.0816049 0.0041266 -0.0622267 3.0695539 68 Pb 3.0154105 0.0999575 -0.0945326 -0.0173830 3.1205224 -0.0816049 0.0041266 0.0622267 3.0695539 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 10608 Number of blocks in projector: 10608 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: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 45 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 2312 / 2312 (1) 278 eigenvectors found. (1) Complementary block size: 143 (1) Compute compressed projector. (1) Use standard solver. (1) 109 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 45 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 2312 / 2312 (1) 278 eigenvectors found. (1) Complementary block size: 143 (1) Compute compressed projector. (1) Use standard solver. (1) 109 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2312 / 2312 (1) 299 eigenvectors found. (1) Complementary block size: 123 (1) Compute compressed projector. (1) Use standard solver. (1) 90 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. Tree of FC basis block matrices: - (10608, 10456), data: False |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (2312, 2279), data: False |-- (2312, 90), data: (2312, 123) @ (123, 90) |-- (312, 299), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 467), data: False |-- (500, 33), data: (500, 66) @ (66, 33) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2312, 2278), data: False |-- (2312, 109), data: (2312, 143) @ (143, 109) |-- (312, 278), data: True |-- (500, 482), data: False |-- (500, 12), data: (500, 30) @ (30, 12) |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 475), data: False |-- (500, 20), data: (500, 45) @ (45, 20) |-- (250, 230), data: True |-- (250, 225), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True |-- (2312, 2278), data: False |-- (2312, 109), data: (2312, 143) @ (143, 109) |-- (312, 278), data: True |-- (500, 482), data: False |-- (500, 12), data: (500, 30) @ (30, 12) |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 475), data: False |-- (500, 20), data: (500, 45) @ (45, 20) |-- (250, 230), data: True |-- (250, 225), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 2080 - Time: 3.595 Solver_block: 200 / 2080 - Time: 3.202 Solver_block: 300 / 2080 - Time: 3.224 Solver_block: 400 / 2080 - Time: 3.164 Solver_block: 500 / 2080 - Time: 3.159 Solver_block: 600 / 2080 - Time: 3.144 Solver_block: 700 / 2080 - Time: 3.290 Solver_block: 800 / 2080 - Time: 3.290 Solver_block: 900 / 2080 - Time: 3.262 Solver_block: 1000 / 2080 - Time: 3.191 Solver_block: 1100 / 2080 - Time: 3.281 Solver_block: 1200 / 2080 - Time: 3.270 Solver_block: 1300 / 2080 - Time: 3.276 Solver_block: 1400 / 2080 - Time: 3.304 Solver_block: 1500 / 2080 - Time: 3.196 Solver_block: 1600 / 2080 - Time: 3.193 Solver_block: 1700 / 2080 - Time: 3.227 Solver_block: 1800 / 2080 - Time: 3.232 Solver_block: 1900 / 2080 - Time: 3.330 Solver_block: 2000 / 2080 - Time: 3.285 Solver_block: 2080 / 2080 - Time: 2.603 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 69.692 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 10608 Number of blocks in projector: 10608 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: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 45 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 2312 / 2312 (1) 278 eigenvectors found. (1) Complementary block size: 143 (1) Compute compressed projector. (1) Use standard solver. (1) 109 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 45 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 2312 / 2312 (1) 278 eigenvectors found. (1) Complementary block size: 143 (1) Compute compressed projector. (1) Use standard solver. (1) 109 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2312 / 2312 (1) 299 eigenvectors found. (1) Complementary block size: 123 (1) Compute compressed projector. (1) Use standard solver. (1) 90 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. Tree of FC basis block matrices: - (10608, 10456), data: False |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (2312, 2279), data: False |-- (2312, 90), data: (2312, 123) @ (123, 90) |-- (312, 299), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 467), data: False |-- (500, 33), data: (500, 66) @ (66, 33) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2312, 2278), data: False |-- (2312, 109), data: (2312, 143) @ (143, 109) |-- (312, 278), data: True |-- (500, 482), data: False |-- (500, 12), data: (500, 30) @ (30, 12) |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 475), data: False |-- (500, 20), data: (500, 45) @ (45, 20) |-- (250, 230), data: True |-- (250, 225), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True |-- (2312, 2278), data: False |-- (2312, 109), data: (2312, 143) @ (143, 109) |-- (312, 278), data: True |-- (500, 482), data: False |-- (500, 12), data: (500, 30) @ (30, 12) |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 475), data: False |-- (500, 20), data: (500, 45) @ (45, 20) |-- (250, 230), data: True |-- (250, 225), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), 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 01:00:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:00:32]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.429954640001663 0.000000000000000 0.000000000000000 b 0.000000000000000 9.561712290000001 0.000000000000000 c -9.302453501695378 0.000000000000000 10.066992304284936 Atomic positions (fractional): 1 F 0.77522269770361 0.03782073869525 0.34316981755846 18.998 2 F 0.22477730229639 0.53782073869525 0.15683018244154 18.998 3 F 0.22477730229639 0.96217926130475 0.65683018244154 18.998 4 F 0.77522269770361 0.46217926130475 0.84316981755846 18.998 5 F 0.44602714028292 0.63443755400758 0.94041048401874 18.998 6 F 0.55397285971708 0.13443755400758 0.55958951598126 18.998 7 F 0.55397285971708 0.36556244599242 0.05958951598126 18.998 8 F 0.44602714028292 0.86556244599242 0.44041048401874 18.998 9 F 0.15706807762041 0.23347707678260 0.44926964860182 18.998 10 F 0.84293192237959 0.73347707678260 0.05073035139818 18.998 11 F 0.84293192237959 0.76652292321740 0.55073035139818 18.998 12 F 0.15706807762041 0.26652292321740 0.94926964860182 18.998 13 F 0.43128050499052 0.41698284041582 0.55898397032648 18.998 14 F 0.56871949500949 0.91698284041582 0.94101602967352 18.998 15 F 0.56871949500949 0.58301715958418 0.44101602967352 18.998 16 F 0.43128050499052 0.08301715958418 0.05898397032648 18.998 17 F 0.36288478828934 0.48655099357024 0.70593291291562 18.998 18 F 0.56362283700313 0.72959092848199 0.80080838230927 18.998 19 F 0.43637716299687 0.27040907151801 0.19919161769073 18.998 20 F 0.56362283700313 0.77040907151801 0.30080838230927 18.998 21 F 0.83626731075253 0.91400947201475 0.71498148075583 18.998 22 F 0.16373268924747 0.41400947201475 0.78501851924417 18.998 23 F 0.16373268924747 0.08599052798525 0.28501851924417 18.998 24 F 0.83626731075253 0.58599052798525 0.21498148075583 18.998 25 F 0.19556215238544 0.90120408723799 0.83432636746308 18.998 26 F 0.80443784761456 0.40120408723799 0.66567363253692 18.998 27 F 0.80443784761456 0.09879591276201 0.16567363253692 18.998 28 F 0.19556215238544 0.59879591276201 0.33432636746308 18.998 29 F 0.73713164872921 0.28504352568849 0.46733479432600 18.998 30 F 0.26286835127079 0.78504352568849 0.03266520567400 18.998 31 F 0.26286835127079 0.71495647431151 0.53266520567400 18.998 32 F 0.73713164872921 0.21495647431151 0.96733479432600 18.998 33 F 0.98631603783603 0.17294839388590 0.69414938885695 18.998 34 F 0.01368396216397 0.67294839388590 0.80585061114305 18.998 35 F 0.01368396216397 0.82705160611410 0.30585061114305 18.998 36 F 0.98631603783603 0.32705160611410 0.19414938885695 18.998 37 F 0.09591087162292 0.29685397971117 0.59209484059060 18.998 38 F 0.90408912837708 0.79685397971117 0.90790515940940 18.998 39 F 0.90408912837708 0.70314602028883 0.40790515940940 18.998 40 F 0.09591087162292 0.20314602028883 0.09209484059060 18.998 41 F 0.08339506512322 0.48186311407504 0.44729020634945 18.998 42 F 0.91660493487678 0.98186311407504 0.05270979365055 18.998 43 F 0.91660493487678 0.51813688592496 0.55270979365055 18.998 44 F 0.08339506512322 0.01813688592496 0.94729020634945 18.998 45 F 0.36288478828934 0.01344900642976 0.20593291291562 18.998 46 F 0.63711521171066 0.51344900642976 0.29406708708438 18.998 47 F 0.63711521171066 0.98655099357024 0.79406708708438 18.998 48 F 0.43637716299687 0.22959092848199 0.69919161769073 18.998 49 Al 0.73070226182911 0.63886690867932 0.42032184795472 26.982 50 Al 0.26929773817089 0.13886690867932 0.07967815204528 26.982 51 Al 0.26929773817089 0.36113309132068 0.57967815204528 26.982 52 Al 0.73070226182911 0.86113309132068 0.92032184795472 26.982 53 Al 0.94736540787900 0.34870371449886 0.62980906018080 26.982 54 Al 0.05263459212100 0.84870371449886 0.87019093981920 26.982 55 Al 0.05263459212100 0.65129628550114 0.37019093981919 26.982 56 Al 0.94736540787900 0.15129628550114 0.12980906018081 26.982 57 Pb 0.29023492649471 0.99674660778608 0.49871193107276 207.200 58 Pb 0.70976507350528 0.49674660778608 0.00128806892724 207.200 59 Pb 0.70976507350528 0.00325339221392 0.50128806892724 207.200 60 Pb 0.29023492649471 0.50325339221392 0.99871193107276 207.200 61 Pb 0.23130656681125 0.78462789846002 0.21137992457593 207.200 62 Pb 0.76869343318875 0.28462789846002 0.28862007542407 207.200 63 Pb 0.76869343318875 0.21537210153998 0.78862007542407 207.200 64 Pb 0.23130656681125 0.71537210153998 0.71137992457593 207.200 65 Pb 0.65523817512926 0.88622668680782 0.17237273556398 207.200 66 Pb 0.34476182487074 0.38622668680782 0.32762726443602 207.200 67 Pb 0.34476182487074 0.11377331319218 0.82762726443602 207.200 68 Pb 0.65523817512926 0.61377331319218 0.67237273556398 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.859909280003325 0.000000000000000 0.000000000000000 b 0.000000000000000 9.561712290000001 0.000000000000000 c -9.302453501695378 0.000000000000000 10.066992304284936 Atomic positions (fractional): 1 F 0.38761134885180 0.03782073869525 0.34316981755846 18.998 > 1 2 F 0.88761134885180 0.03782073869525 0.34316981755846 18.998 > 1 3 F 0.11238865114820 0.53782073869525 0.15683018244154 18.998 > 3 4 F 0.61238865114819 0.53782073869525 0.15683018244154 18.998 > 3 5 F 0.11238865114820 0.96217926130475 0.65683018244154 18.998 > 5 6 F 0.61238865114819 0.96217926130475 0.65683018244154 18.998 > 5 7 F 0.38761134885180 0.46217926130475 0.84316981755846 18.998 > 7 8 F 0.88761134885180 0.46217926130475 0.84316981755846 18.998 > 7 9 F 0.22301357014146 0.63443755400758 0.94041048401874 18.998 > 9 10 F 0.72301357014146 0.63443755400758 0.94041048401874 18.998 > 9 11 F 0.27698642985854 0.13443755400758 0.55958951598126 18.998 > 11 12 F 0.77698642985854 0.13443755400758 0.55958951598126 18.998 > 11 13 F 0.27698642985854 0.36556244599242 0.05958951598126 18.998 > 13 14 F 0.77698642985854 0.36556244599242 0.05958951598126 18.998 > 13 15 F 0.22301357014146 0.86556244599242 0.44041048401874 18.998 > 15 16 F 0.72301357014146 0.86556244599242 0.44041048401874 18.998 > 15 17 F 0.07853403881020 0.23347707678260 0.44926964860182 18.998 > 17 18 F 0.57853403881020 0.23347707678260 0.44926964860182 18.998 > 17 19 F 0.42146596118980 0.73347707678260 0.05073035139818 18.998 > 19 20 F 0.92146596118980 0.73347707678260 0.05073035139818 18.998 > 19 21 F 0.42146596118980 0.76652292321740 0.55073035139818 18.998 > 21 22 F 0.92146596118980 0.76652292321740 0.55073035139818 18.998 > 21 23 F 0.07853403881020 0.26652292321740 0.94926964860182 18.998 > 23 24 F 0.57853403881020 0.26652292321740 0.94926964860182 18.998 > 23 25 F 0.21564025249526 0.41698284041582 0.55898397032648 18.998 > 25 26 F 0.71564025249526 0.41698284041582 0.55898397032648 18.998 > 25 27 F 0.28435974750474 0.91698284041582 0.94101602967352 18.998 > 27 28 F 0.78435974750474 0.91698284041582 0.94101602967352 18.998 > 27 29 F 0.28435974750474 0.58301715958418 0.44101602967352 18.998 > 29 30 F 0.78435974750474 0.58301715958418 0.44101602967352 18.998 > 29 31 F 0.21564025249526 0.08301715958418 0.05898397032648 18.998 > 31 32 F 0.71564025249526 0.08301715958418 0.05898397032648 18.998 > 31 33 F 0.18144239414467 0.48655099357024 0.70593291291562 18.998 > 33 34 F 0.68144239414467 0.48655099357024 0.70593291291562 18.998 > 33 35 F 0.28181141850156 0.72959092848199 0.80080838230927 18.998 > 35 36 F 0.78181141850156 0.72959092848199 0.80080838230927 18.998 > 35 37 F 0.21818858149844 0.27040907151801 0.19919161769073 18.998 > 37 38 F 0.71818858149844 0.27040907151801 0.19919161769073 18.998 > 37 39 F 0.28181141850156 0.77040907151801 0.30080838230927 18.998 > 39 40 F 0.78181141850156 0.77040907151801 0.30080838230927 18.998 > 39 41 F 0.41813365537627 0.91400947201475 0.71498148075583 18.998 > 41 42 F 0.91813365537627 0.91400947201475 0.71498148075583 18.998 > 41 43 F 0.08186634462373 0.41400947201475 0.78501851924417 18.998 > 43 44 F 0.58186634462373 0.41400947201475 0.78501851924417 18.998 > 43 45 F 0.08186634462373 0.08599052798525 0.28501851924417 18.998 > 45 46 F 0.58186634462373 0.08599052798525 0.28501851924417 18.998 > 45 47 F 0.41813365537627 0.58599052798525 0.21498148075583 18.998 > 47 48 F 0.91813365537627 0.58599052798525 0.21498148075583 18.998 > 47 49 F 0.09778107619272 0.90120408723799 0.83432636746308 18.998 > 49 50 F 0.59778107619272 0.90120408723799 0.83432636746308 18.998 > 49 51 F 0.40221892380728 0.40120408723799 0.66567363253692 18.998 > 51 52 F 0.90221892380728 0.40120408723799 0.66567363253692 18.998 > 51 53 F 0.40221892380728 0.09879591276201 0.16567363253692 18.998 > 53 54 F 0.90221892380728 0.09879591276201 0.16567363253692 18.998 > 53 55 F 0.09778107619272 0.59879591276201 0.33432636746308 18.998 > 55 56 F 0.59778107619272 0.59879591276201 0.33432636746308 18.998 > 55 57 F 0.36856582436461 0.28504352568849 0.46733479432600 18.998 > 57 58 F 0.86856582436461 0.28504352568849 0.46733479432600 18.998 > 57 59 F 0.13143417563539 0.78504352568849 0.03266520567400 18.998 > 59 60 F 0.63143417563539 0.78504352568849 0.03266520567400 18.998 > 59 61 F 0.13143417563539 0.71495647431151 0.53266520567400 18.998 > 61 62 F 0.63143417563539 0.71495647431151 0.53266520567400 18.998 > 61 63 F 0.36856582436461 0.21495647431151 0.96733479432600 18.998 > 63 64 F 0.86856582436461 0.21495647431151 0.96733479432600 18.998 > 63 65 F 0.49315801891801 0.17294839388590 0.69414938885695 18.998 > 65 66 F 0.99315801891801 0.17294839388590 0.69414938885695 18.998 > 65 67 F 0.00684198108199 0.67294839388590 0.80585061114305 18.998 > 67 68 F 0.50684198108199 0.67294839388590 0.80585061114305 18.998 > 67 69 F 0.00684198108199 0.82705160611410 0.30585061114305 18.998 > 69 70 F 0.50684198108199 0.82705160611410 0.30585061114305 18.998 > 69 71 F 0.49315801891801 0.32705160611410 0.19414938885695 18.998 > 71 72 F 0.99315801891801 0.32705160611410 0.19414938885695 18.998 > 71 73 F 0.04795543581146 0.29685397971117 0.59209484059060 18.998 > 73 74 F 0.54795543581146 0.29685397971117 0.59209484059060 18.998 > 73 75 F 0.45204456418854 0.79685397971117 0.90790515940940 18.998 > 75 76 F 0.95204456418854 0.79685397971117 0.90790515940940 18.998 > 75 77 F 0.45204456418854 0.70314602028883 0.40790515940940 18.998 > 77 78 F 0.95204456418854 0.70314602028883 0.40790515940940 18.998 > 77 79 F 0.04795543581146 0.20314602028883 0.09209484059060 18.998 > 79 80 F 0.54795543581146 0.20314602028883 0.09209484059060 18.998 > 79 81 F 0.04169753256161 0.48186311407504 0.44729020634945 18.998 > 81 82 F 0.54169753256161 0.48186311407504 0.44729020634945 18.998 > 81 83 F 0.45830246743839 0.98186311407504 0.05270979365055 18.998 > 83 84 F 0.95830246743839 0.98186311407504 0.05270979365055 18.998 > 83 85 F 0.45830246743839 0.51813688592496 0.55270979365055 18.998 > 85 86 F 0.95830246743839 0.51813688592496 0.55270979365055 18.998 > 85 87 F 0.04169753256161 0.01813688592496 0.94729020634945 18.998 > 87 88 F 0.54169753256161 0.01813688592496 0.94729020634945 18.998 > 87 89 F 0.18144239414467 0.01344900642976 0.20593291291562 18.998 > 89 90 F 0.68144239414467 0.01344900642976 0.20593291291562 18.998 > 89 91 F 0.31855760585533 0.51344900642976 0.29406708708438 18.998 > 91 92 F 0.81855760585533 0.51344900642976 0.29406708708438 18.998 > 91 93 F 0.31855760585533 0.98655099357024 0.79406708708438 18.998 > 93 94 F 0.81855760585533 0.98655099357024 0.79406708708438 18.998 > 93 95 F 0.21818858149844 0.22959092848199 0.69919161769073 18.998 > 95 96 F 0.71818858149844 0.22959092848199 0.69919161769073 18.998 > 95 97 Al 0.36535113091455 0.63886690867932 0.42032184795472 26.982 > 97 98 Al 0.86535113091455 0.63886690867932 0.42032184795472 26.982 > 97 99 Al 0.13464886908545 0.13886690867932 0.07967815204528 26.982 > 99 100 Al 0.63464886908545 0.13886690867932 0.07967815204528 26.982 > 99 101 Al 0.13464886908545 0.36113309132068 0.57967815204528 26.982 > 101 102 Al 0.63464886908545 0.36113309132068 0.57967815204528 26.982 > 101 103 Al 0.36535113091455 0.86113309132068 0.92032184795472 26.982 > 103 104 Al 0.86535113091455 0.86113309132068 0.92032184795472 26.982 > 103 105 Al 0.47368270393950 0.34870371449886 0.62980906018080 26.982 > 105 106 Al 0.97368270393950 0.34870371449886 0.62980906018080 26.982 > 105 107 Al 0.02631729606050 0.84870371449886 0.87019093981920 26.982 > 107 108 Al 0.52631729606050 0.84870371449886 0.87019093981920 26.982 > 107 109 Al 0.02631729606050 0.65129628550114 0.37019093981919 26.982 > 109 110 Al 0.52631729606050 0.65129628550114 0.37019093981919 26.982 > 109 111 Al 0.47368270393950 0.15129628550114 0.12980906018081 26.982 > 111 112 Al 0.97368270393950 0.15129628550114 0.12980906018081 26.982 > 111 113 Pb 0.14511746324736 0.99674660778608 0.49871193107276 207.200 > 113 114 Pb 0.64511746324736 0.99674660778608 0.49871193107276 207.200 > 113 115 Pb 0.35488253675264 0.49674660778608 0.00128806892724 207.200 > 115 116 Pb 0.85488253675264 0.49674660778608 0.00128806892724 207.200 > 115 117 Pb 0.35488253675264 0.00325339221392 0.50128806892724 207.200 > 117 118 Pb 0.85488253675264 0.00325339221392 0.50128806892724 207.200 > 117 119 Pb 0.14511746324736 0.50325339221392 0.99871193107276 207.200 > 119 120 Pb 0.64511746324736 0.50325339221392 0.99871193107276 207.200 > 119 121 Pb 0.11565328340562 0.78462789846002 0.21137992457593 207.200 > 121 122 Pb 0.61565328340562 0.78462789846002 0.21137992457593 207.200 > 121 123 Pb 0.38434671659438 0.28462789846002 0.28862007542407 207.200 > 123 124 Pb 0.88434671659438 0.28462789846002 0.28862007542407 207.200 > 123 125 Pb 0.38434671659438 0.21537210153998 0.78862007542407 207.200 > 125 126 Pb 0.88434671659438 0.21537210153998 0.78862007542407 207.200 > 125 127 Pb 0.11565328340562 0.71537210153998 0.71137992457593 207.200 > 127 128 Pb 0.61565328340562 0.71537210153998 0.71137992457593 207.200 > 127 129 Pb 0.32761908756463 0.88622668680782 0.17237273556398 207.200 > 129 130 Pb 0.82761908756463 0.88622668680782 0.17237273556398 207.200 > 129 131 Pb 0.17238091243537 0.38622668680782 0.32762726443602 207.200 > 131 132 Pb 0.67238091243537 0.38622668680782 0.32762726443602 207.200 > 131 133 Pb 0.17238091243537 0.11377331319218 0.82762726443602 207.200 > 133 134 Pb 0.67238091243537 0.11377331319218 0.82762726443602 207.200 > 133 135 Pb 0.32761908756463 0.61377331319218 0.67237273556398 207.200 > 135 136 Pb 0.82761908756463 0.61377331319218 0.67237273556398 207.200 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9198476 0.0000000 -0.0331028 0.0000000 2.9501977 0.0000000 -0.0331030 0.0000000 2.9033814 -------------------------- Born effective charges -------------------------- 1 F -1.0846118 -0.0494190 0.5627211 -0.0955018 -1.8357225 -0.2834330 0.5083075 -0.2892973 -1.3818599 2 F -1.0846118 0.0494190 0.5627211 0.0955018 -1.8357225 0.2834330 0.5083075 0.2892973 -1.3818599 3 F -1.0846118 -0.0494190 0.5627211 -0.0955018 -1.8357225 -0.2834330 0.5083075 -0.2892973 -1.3818599 4 F -1.0846118 0.0494190 0.5627211 0.0955018 -1.8357225 0.2834330 0.5083075 0.2892973 -1.3818599 5 F -1.7516817 0.0215832 0.0975338 0.0015413 -1.2015875 0.5474464 0.0381240 0.5300903 -1.4888153 6 F -1.7516817 -0.0215832 0.0975338 -0.0015413 -1.2015875 -0.5474464 0.0381240 -0.5300903 -1.4888153 7 F -1.7516817 0.0215832 0.0975338 0.0015413 -1.2015875 0.5474464 0.0381240 0.5300903 -1.4888153 8 F -1.7516817 -0.0215832 0.0975338 -0.0015413 -1.2015875 -0.5474464 0.0381240 -0.5300903 -1.4888153 9 F -1.1166119 0.3733790 -0.2847658 0.2891443 -1.6007406 -0.0098744 -0.2597718 -0.0120747 -1.1183096 10 F -1.1166119 -0.3733790 -0.2847658 -0.2891443 -1.6007406 0.0098744 -0.2597718 0.0120747 -1.1183096 11 F -1.1166119 0.3733790 -0.2847658 0.2891443 -1.6007406 -0.0098744 -0.2597718 -0.0120747 -1.1183096 12 F -1.1166119 -0.3733790 -0.2847658 -0.2891443 -1.6007406 0.0098744 -0.2597718 0.0120747 -1.1183096 13 F -1.3477499 -0.3551153 0.1237112 -0.3708124 -1.2172288 -0.1745244 0.0541722 -0.3126003 -1.3075391 14 F -1.3477499 0.3551153 0.1237112 0.3708124 -1.2172288 0.1745244 0.0541722 0.3126003 -1.3075391 15 F -1.3477499 -0.3551153 0.1237112 -0.3708124 -1.2172288 -0.1745244 0.0541722 -0.3126003 -1.3075391 16 F -1.3477499 0.3551153 0.1237112 0.3708124 -1.2172288 0.1745244 0.0541722 0.3126003 -1.3075391 17 F -1.0012474 0.3106289 0.0709871 0.3466490 -1.4902845 -0.2778038 0.0828217 -0.2584511 -1.1864647 18 F -1.6495522 0.0082635 -0.0803845 0.0859059 -1.1469747 -0.2371844 -0.0853544 -0.1937467 -1.1478128 19 F -1.6495522 0.0082635 -0.0803845 0.0859059 -1.1469747 -0.2371844 -0.0853544 -0.1937467 -1.1478128 20 F -1.6495522 -0.0082635 -0.0803845 -0.0859059 -1.1469747 0.2371844 -0.0853544 0.1937467 -1.1478128 21 F -0.8851270 -0.0371634 0.0826496 -0.0440162 -1.1526151 0.3297303 0.0450021 0.4268510 -1.7076714 22 F -0.8851270 0.0371634 0.0826496 0.0440162 -1.1526151 -0.3297303 0.0450021 -0.4268510 -1.7076714 23 F -0.8851270 -0.0371634 0.0826496 -0.0440162 -1.1526151 0.3297303 0.0450021 0.4268510 -1.7076714 24 F -0.8851270 0.0371634 0.0826496 0.0440162 -1.1526151 -0.3297303 0.0450021 -0.4268510 -1.7076714 25 F -1.5541249 -0.2638735 0.2631744 -0.2237415 -1.3887010 -0.1328128 0.2448538 -0.0820526 -0.8976602 26 F -1.5541249 0.2638735 0.2631744 0.2237415 -1.3887010 0.1328128 0.2448538 0.0820526 -0.8976602 27 F -1.5541249 -0.2638735 0.2631744 -0.2237415 -1.3887010 -0.1328128 0.2448538 -0.0820526 -0.8976602 28 F -1.5541249 0.2638735 0.2631744 0.2237415 -1.3887010 0.1328128 0.2448538 0.0820526 -0.8976602 29 F -1.2185331 -0.0402869 0.0826930 -0.0381754 -1.2272238 -0.0221170 0.1020093 -0.0289029 -1.4241713 30 F -1.2185331 0.0402869 0.0826930 0.0381754 -1.2272238 0.0221170 0.1020093 0.0289029 -1.4241713 31 F -1.2185331 -0.0402869 0.0826930 -0.0381754 -1.2272238 -0.0221170 0.1020093 -0.0289029 -1.4241713 32 F -1.2185331 0.0402869 0.0826930 0.0381754 -1.2272238 0.0221170 0.1020093 0.0289029 -1.4241713 33 F -1.3908182 -0.0031990 -0.4278506 0.0290949 -1.3198164 -0.0299096 -0.3787050 -0.1039573 -1.2240471 34 F -1.3908182 0.0031990 -0.4278506 -0.0290949 -1.3198164 0.0299096 -0.3787050 0.1039573 -1.2240471 35 F -1.3908182 -0.0031990 -0.4278506 0.0290949 -1.3198164 -0.0299096 -0.3787050 -0.1039573 -1.2240471 36 F -1.3908182 0.0031990 -0.4278506 -0.0290949 -1.3198164 0.0299096 -0.3787050 0.1039573 -1.2240471 37 F -1.5690030 -0.0159312 0.0830563 -0.0045612 -0.9004567 0.0943517 0.0662061 0.0721408 -1.1449791 38 F -1.5690030 0.0159312 0.0830563 0.0045612 -0.9004567 -0.0943517 0.0662061 -0.0721408 -1.1449791 39 F -1.5690030 -0.0159312 0.0830563 -0.0045612 -0.9004567 0.0943517 0.0662061 0.0721408 -1.1449791 40 F -1.5690030 0.0159312 0.0830563 0.0045612 -0.9004567 -0.0943517 0.0662061 -0.0721408 -1.1449791 41 F -0.9176219 -0.1030874 -0.1319641 -0.1600688 -1.4517684 0.2043570 -0.1505332 0.2503700 -1.1920281 42 F -0.9176219 0.1030874 -0.1319641 0.1600688 -1.4517684 -0.2043570 -0.1505332 -0.2503700 -1.1920281 43 F -0.9176219 -0.1030874 -0.1319641 -0.1600688 -1.4517684 0.2043570 -0.1505332 0.2503700 -1.1920281 44 F -0.9176219 0.1030874 -0.1319641 0.1600688 -1.4517684 -0.2043570 -0.1505332 -0.2503700 -1.1920281 45 F -1.0012474 -0.3106289 0.0709871 -0.3466490 -1.4902845 0.2778038 0.0828217 0.2584511 -1.1864647 46 F -1.0012474 0.3106289 0.0709871 0.3466490 -1.4902845 -0.2778038 0.0828217 -0.2584511 -1.1864647 47 F -1.0012474 -0.3106289 0.0709871 -0.3466490 -1.4902845 0.2778038 0.0828217 0.2584511 -1.1864647 48 F -1.6495522 -0.0082635 -0.0803845 -0.0859059 -1.1469747 0.2371844 -0.0853544 0.1937467 -1.1478128 49 Al 3.0842933 -0.0080598 0.0006089 0.1287238 3.2064344 0.1348736 0.0309936 -0.0022571 3.0021720 50 Al 3.0842933 0.0080598 0.0006089 -0.1287238 3.2064344 -0.1348736 0.0309936 0.0022571 3.0021720 51 Al 3.0842933 -0.0080598 0.0006089 0.1287238 3.2064344 0.1348736 0.0309936 -0.0022571 3.0021720 52 Al 3.0842933 0.0080598 0.0006089 -0.1287238 3.2064344 -0.1348736 0.0309936 0.0022571 3.0021720 53 Al 3.1026015 -0.0892117 -0.0658391 0.0438470 3.0769714 0.0218534 0.0755187 0.1880653 3.1605841 54 Al 3.1026015 0.0892117 -0.0658391 -0.0438470 3.0769714 -0.0218534 0.0755187 -0.1880653 3.1605841 55 Al 3.1026015 -0.0892117 -0.0658391 0.0438470 3.0769714 0.0218534 0.0755187 0.1880653 3.1605841 56 Al 3.1026015 0.0892117 -0.0658391 -0.0438470 3.0769714 -0.0218534 0.0755187 -0.1880653 3.1605841 57 Pb 3.1390588 0.0768496 -0.2866972 0.1036047 3.2110500 0.0323100 -0.4096233 0.0911186 2.9327865 58 Pb 3.1390588 -0.0768496 -0.2866972 -0.1036047 3.2110500 -0.0323100 -0.4096233 -0.0911186 2.9327865 59 Pb 3.1390588 0.0768496 -0.2866972 0.1036047 3.2110500 0.0323100 -0.4096233 0.0911186 2.9327865 60 Pb 3.1390588 -0.0768496 -0.2866972 -0.1036047 3.2110500 -0.0323100 -0.4096233 -0.0911186 2.9327865 61 Pb 3.1453189 0.1452041 0.0048987 0.2197879 3.3181420 0.3569820 0.0318520 0.1433276 3.0562620 62 Pb 3.1453189 -0.1452041 0.0048987 -0.2197879 3.3181420 -0.3569820 0.0318520 -0.1433276 3.0562620 63 Pb 3.1453189 0.1452041 0.0048987 0.2197879 3.3181420 0.3569820 0.0318520 0.1433276 3.0562620 64 Pb 3.1453189 -0.1452041 0.0048987 -0.2197879 3.3181420 -0.3569820 0.0318520 -0.1433276 3.0562620 65 Pb 3.0154105 -0.0999575 -0.0945326 0.0173830 3.1205224 0.0816049 0.0041266 -0.0622267 3.0695539 66 Pb 3.0154105 0.0999575 -0.0945326 -0.0173830 3.1205224 -0.0816049 0.0041266 0.0622267 3.0695539 67 Pb 3.0154105 -0.0999575 -0.0945326 0.0173830 3.1205224 0.0816049 0.0041266 -0.0622267 3.0695539 68 Pb 3.0154105 0.0999575 -0.0945326 -0.0173830 3.1205224 -0.0816049 0.0041266 0.0622267 3.0695539 ---------------------------------------------------------------------------- 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] [-0.0068 0.0000 0.0073] [ 0.0068 0.0000 -0.0073] 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] [-0.0068 0.0000 0.0073] [ 0.0068 0.0000 -0.0073] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0068 0.0000 0.0073] [ 0.0068 0.0000 -0.0073] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0068 0.0000 0.0073] [ 0.0068 0.0000 -0.0073] 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] [-0.0068 0.0000 0.0073] [ 0.0068 0.0000 -0.0073] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0068 0.0000 0.0073] [ 0.0068 0.0000 -0.0073] 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] [-0.0068 0.0000 0.0073] [ 0.0068 0.0000 -0.0073] 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] [-0.0068 0.0000 0.0073] [ 0.0068 0.0000 -0.0073] 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] [-0.0068 0.0000 0.0073] [ 0.0068 0.0000 -0.0073] 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] [-0.0068 0.0000 0.0073] [ 0.0068 0.0000 -0.0073] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0068 0.0000 0.0073] [ 0.0068 0.0000 -0.0073] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0068 0.0000 0.0073] [ 0.0068 0.0000 -0.0073] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0068 0.0000 0.0073] [ 0.0068 0.0000 -0.0073] Computing fc3[ 105, 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] [-0.0068 0.0000 0.0073] [ 0.0068 0.0000 -0.0073] Computing fc3[ 113, 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] [-0.0068 0.0000 0.0073] [ 0.0068 0.0000 -0.0073] Computing fc3[ 121, 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] [-0.0068 0.0000 0.0073] [ 0.0068 0.0000 -0.0073] Computing fc3[ 129, 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] [-0.0068 0.0000 0.0073] [ 0.0068 0.0000 -0.0073] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xzx) 0.00000000 (xzx) 0.00000000 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:02:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:02:21]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.429954640001663 0.000000000000000 0.000000000000000 b 0.000000000000000 9.561712290000001 0.000000000000000 c -9.302453501695378 0.000000000000000 10.066992304284936 Atomic positions (fractional): 1 F 0.77522269770361 0.03782073869525 0.34316981755846 18.998 2 F 0.22477730229639 0.53782073869525 0.15683018244154 18.998 3 F 0.22477730229639 0.96217926130475 0.65683018244154 18.998 4 F 0.77522269770361 0.46217926130475 0.84316981755846 18.998 5 F 0.44602714028292 0.63443755400758 0.94041048401874 18.998 6 F 0.55397285971708 0.13443755400758 0.55958951598126 18.998 7 F 0.55397285971708 0.36556244599242 0.05958951598126 18.998 8 F 0.44602714028292 0.86556244599242 0.44041048401874 18.998 9 F 0.15706807762041 0.23347707678260 0.44926964860182 18.998 10 F 0.84293192237959 0.73347707678260 0.05073035139818 18.998 11 F 0.84293192237959 0.76652292321740 0.55073035139818 18.998 12 F 0.15706807762041 0.26652292321740 0.94926964860182 18.998 13 F 0.43128050499052 0.41698284041582 0.55898397032648 18.998 14 F 0.56871949500949 0.91698284041582 0.94101602967352 18.998 15 F 0.56871949500949 0.58301715958418 0.44101602967352 18.998 16 F 0.43128050499052 0.08301715958418 0.05898397032648 18.998 17 F 0.36288478828934 0.48655099357024 0.70593291291562 18.998 18 F 0.56362283700313 0.72959092848199 0.80080838230927 18.998 19 F 0.43637716299687 0.27040907151801 0.19919161769073 18.998 20 F 0.56362283700313 0.77040907151801 0.30080838230927 18.998 21 F 0.83626731075253 0.91400947201475 0.71498148075583 18.998 22 F 0.16373268924747 0.41400947201475 0.78501851924417 18.998 23 F 0.16373268924747 0.08599052798525 0.28501851924417 18.998 24 F 0.83626731075253 0.58599052798525 0.21498148075583 18.998 25 F 0.19556215238544 0.90120408723799 0.83432636746308 18.998 26 F 0.80443784761456 0.40120408723799 0.66567363253692 18.998 27 F 0.80443784761456 0.09879591276201 0.16567363253692 18.998 28 F 0.19556215238544 0.59879591276201 0.33432636746308 18.998 29 F 0.73713164872921 0.28504352568849 0.46733479432600 18.998 30 F 0.26286835127079 0.78504352568849 0.03266520567400 18.998 31 F 0.26286835127079 0.71495647431151 0.53266520567400 18.998 32 F 0.73713164872921 0.21495647431151 0.96733479432600 18.998 33 F 0.98631603783603 0.17294839388590 0.69414938885695 18.998 34 F 0.01368396216397 0.67294839388590 0.80585061114305 18.998 35 F 0.01368396216397 0.82705160611410 0.30585061114305 18.998 36 F 0.98631603783603 0.32705160611410 0.19414938885695 18.998 37 F 0.09591087162292 0.29685397971117 0.59209484059060 18.998 38 F 0.90408912837708 0.79685397971117 0.90790515940940 18.998 39 F 0.90408912837708 0.70314602028883 0.40790515940940 18.998 40 F 0.09591087162292 0.20314602028883 0.09209484059060 18.998 41 F 0.08339506512322 0.48186311407504 0.44729020634945 18.998 42 F 0.91660493487678 0.98186311407504 0.05270979365055 18.998 43 F 0.91660493487678 0.51813688592496 0.55270979365055 18.998 44 F 0.08339506512322 0.01813688592496 0.94729020634945 18.998 45 F 0.36288478828934 0.01344900642976 0.20593291291562 18.998 46 F 0.63711521171066 0.51344900642976 0.29406708708438 18.998 47 F 0.63711521171066 0.98655099357024 0.79406708708438 18.998 48 F 0.43637716299687 0.22959092848199 0.69919161769073 18.998 49 Al 0.73070226182911 0.63886690867932 0.42032184795472 26.982 50 Al 0.26929773817089 0.13886690867932 0.07967815204528 26.982 51 Al 0.26929773817089 0.36113309132068 0.57967815204528 26.982 52 Al 0.73070226182911 0.86113309132068 0.92032184795472 26.982 53 Al 0.94736540787900 0.34870371449886 0.62980906018080 26.982 54 Al 0.05263459212100 0.84870371449886 0.87019093981920 26.982 55 Al 0.05263459212100 0.65129628550114 0.37019093981919 26.982 56 Al 0.94736540787900 0.15129628550114 0.12980906018081 26.982 57 Pb 0.29023492649471 0.99674660778608 0.49871193107276 207.200 58 Pb 0.70976507350528 0.49674660778608 0.00128806892724 207.200 59 Pb 0.70976507350528 0.00325339221392 0.50128806892724 207.200 60 Pb 0.29023492649471 0.50325339221392 0.99871193107276 207.200 61 Pb 0.23130656681125 0.78462789846002 0.21137992457593 207.200 62 Pb 0.76869343318875 0.28462789846002 0.28862007542407 207.200 63 Pb 0.76869343318875 0.21537210153998 0.78862007542407 207.200 64 Pb 0.23130656681125 0.71537210153998 0.71137992457593 207.200 65 Pb 0.65523817512926 0.88622668680782 0.17237273556398 207.200 66 Pb 0.34476182487074 0.38622668680782 0.32762726443602 207.200 67 Pb 0.34476182487074 0.11377331319218 0.82762726443602 207.200 68 Pb 0.65523817512926 0.61377331319218 0.67237273556398 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.859909280003325 0.000000000000000 0.000000000000000 b 0.000000000000000 9.561712290000001 0.000000000000000 c -9.302453501695378 0.000000000000000 10.066992304284936 Atomic positions (fractional): 1 F 0.38761134885180 0.03782073869525 0.34316981755846 18.998 > 1 2 F 0.88761134885180 0.03782073869525 0.34316981755846 18.998 > 1 3 F 0.11238865114820 0.53782073869525 0.15683018244154 18.998 > 3 4 F 0.61238865114819 0.53782073869525 0.15683018244154 18.998 > 3 5 F 0.11238865114820 0.96217926130475 0.65683018244154 18.998 > 5 6 F 0.61238865114819 0.96217926130475 0.65683018244154 18.998 > 5 7 F 0.38761134885180 0.46217926130475 0.84316981755846 18.998 > 7 8 F 0.88761134885180 0.46217926130475 0.84316981755846 18.998 > 7 9 F 0.22301357014146 0.63443755400758 0.94041048401874 18.998 > 9 10 F 0.72301357014146 0.63443755400758 0.94041048401874 18.998 > 9 11 F 0.27698642985854 0.13443755400758 0.55958951598126 18.998 > 11 12 F 0.77698642985854 0.13443755400758 0.55958951598126 18.998 > 11 13 F 0.27698642985854 0.36556244599242 0.05958951598126 18.998 > 13 14 F 0.77698642985854 0.36556244599242 0.05958951598126 18.998 > 13 15 F 0.22301357014146 0.86556244599242 0.44041048401874 18.998 > 15 16 F 0.72301357014146 0.86556244599242 0.44041048401874 18.998 > 15 17 F 0.07853403881020 0.23347707678260 0.44926964860182 18.998 > 17 18 F 0.57853403881020 0.23347707678260 0.44926964860182 18.998 > 17 19 F 0.42146596118980 0.73347707678260 0.05073035139818 18.998 > 19 20 F 0.92146596118980 0.73347707678260 0.05073035139818 18.998 > 19 21 F 0.42146596118980 0.76652292321740 0.55073035139818 18.998 > 21 22 F 0.92146596118980 0.76652292321740 0.55073035139818 18.998 > 21 23 F 0.07853403881020 0.26652292321740 0.94926964860182 18.998 > 23 24 F 0.57853403881020 0.26652292321740 0.94926964860182 18.998 > 23 25 F 0.21564025249526 0.41698284041582 0.55898397032648 18.998 > 25 26 F 0.71564025249526 0.41698284041582 0.55898397032648 18.998 > 25 27 F 0.28435974750474 0.91698284041582 0.94101602967352 18.998 > 27 28 F 0.78435974750474 0.91698284041582 0.94101602967352 18.998 > 27 29 F 0.28435974750474 0.58301715958418 0.44101602967352 18.998 > 29 30 F 0.78435974750474 0.58301715958418 0.44101602967352 18.998 > 29 31 F 0.21564025249526 0.08301715958418 0.05898397032648 18.998 > 31 32 F 0.71564025249526 0.08301715958418 0.05898397032648 18.998 > 31 33 F 0.18144239414467 0.48655099357024 0.70593291291562 18.998 > 33 34 F 0.68144239414467 0.48655099357024 0.70593291291562 18.998 > 33 35 F 0.28181141850156 0.72959092848199 0.80080838230927 18.998 > 35 36 F 0.78181141850156 0.72959092848199 0.80080838230927 18.998 > 35 37 F 0.21818858149844 0.27040907151801 0.19919161769073 18.998 > 37 38 F 0.71818858149844 0.27040907151801 0.19919161769073 18.998 > 37 39 F 0.28181141850156 0.77040907151801 0.30080838230927 18.998 > 39 40 F 0.78181141850156 0.77040907151801 0.30080838230927 18.998 > 39 41 F 0.41813365537627 0.91400947201475 0.71498148075583 18.998 > 41 42 F 0.91813365537627 0.91400947201475 0.71498148075583 18.998 > 41 43 F 0.08186634462373 0.41400947201475 0.78501851924417 18.998 > 43 44 F 0.58186634462373 0.41400947201475 0.78501851924417 18.998 > 43 45 F 0.08186634462373 0.08599052798525 0.28501851924417 18.998 > 45 46 F 0.58186634462373 0.08599052798525 0.28501851924417 18.998 > 45 47 F 0.41813365537627 0.58599052798525 0.21498148075583 18.998 > 47 48 F 0.91813365537627 0.58599052798525 0.21498148075583 18.998 > 47 49 F 0.09778107619272 0.90120408723799 0.83432636746308 18.998 > 49 50 F 0.59778107619272 0.90120408723799 0.83432636746308 18.998 > 49 51 F 0.40221892380728 0.40120408723799 0.66567363253692 18.998 > 51 52 F 0.90221892380728 0.40120408723799 0.66567363253692 18.998 > 51 53 F 0.40221892380728 0.09879591276201 0.16567363253692 18.998 > 53 54 F 0.90221892380728 0.09879591276201 0.16567363253692 18.998 > 53 55 F 0.09778107619272 0.59879591276201 0.33432636746308 18.998 > 55 56 F 0.59778107619272 0.59879591276201 0.33432636746308 18.998 > 55 57 F 0.36856582436461 0.28504352568849 0.46733479432600 18.998 > 57 58 F 0.86856582436461 0.28504352568849 0.46733479432600 18.998 > 57 59 F 0.13143417563539 0.78504352568849 0.03266520567400 18.998 > 59 60 F 0.63143417563539 0.78504352568849 0.03266520567400 18.998 > 59 61 F 0.13143417563539 0.71495647431151 0.53266520567400 18.998 > 61 62 F 0.63143417563539 0.71495647431151 0.53266520567400 18.998 > 61 63 F 0.36856582436461 0.21495647431151 0.96733479432600 18.998 > 63 64 F 0.86856582436461 0.21495647431151 0.96733479432600 18.998 > 63 65 F 0.49315801891801 0.17294839388590 0.69414938885695 18.998 > 65 66 F 0.99315801891801 0.17294839388590 0.69414938885695 18.998 > 65 67 F 0.00684198108199 0.67294839388590 0.80585061114305 18.998 > 67 68 F 0.50684198108199 0.67294839388590 0.80585061114305 18.998 > 67 69 F 0.00684198108199 0.82705160611410 0.30585061114305 18.998 > 69 70 F 0.50684198108199 0.82705160611410 0.30585061114305 18.998 > 69 71 F 0.49315801891801 0.32705160611410 0.19414938885695 18.998 > 71 72 F 0.99315801891801 0.32705160611410 0.19414938885695 18.998 > 71 73 F 0.04795543581146 0.29685397971117 0.59209484059060 18.998 > 73 74 F 0.54795543581146 0.29685397971117 0.59209484059060 18.998 > 73 75 F 0.45204456418854 0.79685397971117 0.90790515940940 18.998 > 75 76 F 0.95204456418854 0.79685397971117 0.90790515940940 18.998 > 75 77 F 0.45204456418854 0.70314602028883 0.40790515940940 18.998 > 77 78 F 0.95204456418854 0.70314602028883 0.40790515940940 18.998 > 77 79 F 0.04795543581146 0.20314602028883 0.09209484059060 18.998 > 79 80 F 0.54795543581146 0.20314602028883 0.09209484059060 18.998 > 79 81 F 0.04169753256161 0.48186311407504 0.44729020634945 18.998 > 81 82 F 0.54169753256161 0.48186311407504 0.44729020634945 18.998 > 81 83 F 0.45830246743839 0.98186311407504 0.05270979365055 18.998 > 83 84 F 0.95830246743839 0.98186311407504 0.05270979365055 18.998 > 83 85 F 0.45830246743839 0.51813688592496 0.55270979365055 18.998 > 85 86 F 0.95830246743839 0.51813688592496 0.55270979365055 18.998 > 85 87 F 0.04169753256161 0.01813688592496 0.94729020634945 18.998 > 87 88 F 0.54169753256161 0.01813688592496 0.94729020634945 18.998 > 87 89 F 0.18144239414467 0.01344900642976 0.20593291291562 18.998 > 89 90 F 0.68144239414467 0.01344900642976 0.20593291291562 18.998 > 89 91 F 0.31855760585533 0.51344900642976 0.29406708708438 18.998 > 91 92 F 0.81855760585533 0.51344900642976 0.29406708708438 18.998 > 91 93 F 0.31855760585533 0.98655099357024 0.79406708708438 18.998 > 93 94 F 0.81855760585533 0.98655099357024 0.79406708708438 18.998 > 93 95 F 0.21818858149844 0.22959092848199 0.69919161769073 18.998 > 95 96 F 0.71818858149844 0.22959092848199 0.69919161769073 18.998 > 95 97 Al 0.36535113091455 0.63886690867932 0.42032184795472 26.982 > 97 98 Al 0.86535113091455 0.63886690867932 0.42032184795472 26.982 > 97 99 Al 0.13464886908545 0.13886690867932 0.07967815204528 26.982 > 99 100 Al 0.63464886908545 0.13886690867932 0.07967815204528 26.982 > 99 101 Al 0.13464886908545 0.36113309132068 0.57967815204528 26.982 > 101 102 Al 0.63464886908545 0.36113309132068 0.57967815204528 26.982 > 101 103 Al 0.36535113091455 0.86113309132068 0.92032184795472 26.982 > 103 104 Al 0.86535113091455 0.86113309132068 0.92032184795472 26.982 > 103 105 Al 0.47368270393950 0.34870371449886 0.62980906018080 26.982 > 105 106 Al 0.97368270393950 0.34870371449886 0.62980906018080 26.982 > 105 107 Al 0.02631729606050 0.84870371449886 0.87019093981920 26.982 > 107 108 Al 0.52631729606050 0.84870371449886 0.87019093981920 26.982 > 107 109 Al 0.02631729606050 0.65129628550114 0.37019093981919 26.982 > 109 110 Al 0.52631729606050 0.65129628550114 0.37019093981919 26.982 > 109 111 Al 0.47368270393950 0.15129628550114 0.12980906018081 26.982 > 111 112 Al 0.97368270393950 0.15129628550114 0.12980906018081 26.982 > 111 113 Pb 0.14511746324736 0.99674660778608 0.49871193107276 207.200 > 113 114 Pb 0.64511746324736 0.99674660778608 0.49871193107276 207.200 > 113 115 Pb 0.35488253675264 0.49674660778608 0.00128806892724 207.200 > 115 116 Pb 0.85488253675264 0.49674660778608 0.00128806892724 207.200 > 115 117 Pb 0.35488253675264 0.00325339221392 0.50128806892724 207.200 > 117 118 Pb 0.85488253675264 0.00325339221392 0.50128806892724 207.200 > 117 119 Pb 0.14511746324736 0.50325339221392 0.99871193107276 207.200 > 119 120 Pb 0.64511746324736 0.50325339221392 0.99871193107276 207.200 > 119 121 Pb 0.11565328340562 0.78462789846002 0.21137992457593 207.200 > 121 122 Pb 0.61565328340562 0.78462789846002 0.21137992457593 207.200 > 121 123 Pb 0.38434671659438 0.28462789846002 0.28862007542407 207.200 > 123 124 Pb 0.88434671659438 0.28462789846002 0.28862007542407 207.200 > 123 125 Pb 0.38434671659438 0.21537210153998 0.78862007542407 207.200 > 125 126 Pb 0.88434671659438 0.21537210153998 0.78862007542407 207.200 > 125 127 Pb 0.11565328340562 0.71537210153998 0.71137992457593 207.200 > 127 128 Pb 0.61565328340562 0.71537210153998 0.71137992457593 207.200 > 127 129 Pb 0.32761908756463 0.88622668680782 0.17237273556398 207.200 > 129 130 Pb 0.82761908756463 0.88622668680782 0.17237273556398 207.200 > 129 131 Pb 0.17238091243537 0.38622668680782 0.32762726443602 207.200 > 131 132 Pb 0.67238091243537 0.38622668680782 0.32762726443602 207.200 > 131 133 Pb 0.17238091243537 0.11377331319218 0.82762726443602 207.200 > 133 134 Pb 0.67238091243537 0.11377331319218 0.82762726443602 207.200 > 133 135 Pb 0.32761908756463 0.61377331319218 0.67237273556398 207.200 > 135 136 Pb 0.82761908756463 0.61377331319218 0.67237273556398 207.200 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9198476 0.0000000 -0.0331028 0.0000000 2.9501977 0.0000000 -0.0331030 0.0000000 2.9033814 -------------------------- Born effective charges -------------------------- 1 F -1.0846118 -0.0494190 0.5627211 -0.0955018 -1.8357225 -0.2834330 0.5083075 -0.2892973 -1.3818599 2 F -1.0846118 0.0494190 0.5627211 0.0955018 -1.8357225 0.2834330 0.5083075 0.2892973 -1.3818599 3 F -1.0846118 -0.0494190 0.5627211 -0.0955018 -1.8357225 -0.2834330 0.5083075 -0.2892973 -1.3818599 4 F -1.0846118 0.0494190 0.5627211 0.0955018 -1.8357225 0.2834330 0.5083075 0.2892973 -1.3818599 5 F -1.7516817 0.0215832 0.0975338 0.0015413 -1.2015875 0.5474464 0.0381240 0.5300903 -1.4888153 6 F -1.7516817 -0.0215832 0.0975338 -0.0015413 -1.2015875 -0.5474464 0.0381240 -0.5300903 -1.4888153 7 F -1.7516817 0.0215832 0.0975338 0.0015413 -1.2015875 0.5474464 0.0381240 0.5300903 -1.4888153 8 F -1.7516817 -0.0215832 0.0975338 -0.0015413 -1.2015875 -0.5474464 0.0381240 -0.5300903 -1.4888153 9 F -1.1166119 0.3733790 -0.2847658 0.2891443 -1.6007406 -0.0098744 -0.2597718 -0.0120747 -1.1183096 10 F -1.1166119 -0.3733790 -0.2847658 -0.2891443 -1.6007406 0.0098744 -0.2597718 0.0120747 -1.1183096 11 F -1.1166119 0.3733790 -0.2847658 0.2891443 -1.6007406 -0.0098744 -0.2597718 -0.0120747 -1.1183096 12 F -1.1166119 -0.3733790 -0.2847658 -0.2891443 -1.6007406 0.0098744 -0.2597718 0.0120747 -1.1183096 13 F -1.3477499 -0.3551153 0.1237112 -0.3708124 -1.2172288 -0.1745244 0.0541722 -0.3126003 -1.3075391 14 F -1.3477499 0.3551153 0.1237112 0.3708124 -1.2172288 0.1745244 0.0541722 0.3126003 -1.3075391 15 F -1.3477499 -0.3551153 0.1237112 -0.3708124 -1.2172288 -0.1745244 0.0541722 -0.3126003 -1.3075391 16 F -1.3477499 0.3551153 0.1237112 0.3708124 -1.2172288 0.1745244 0.0541722 0.3126003 -1.3075391 17 F -1.0012474 0.3106289 0.0709871 0.3466490 -1.4902845 -0.2778038 0.0828217 -0.2584511 -1.1864647 18 F -1.6495522 0.0082635 -0.0803845 0.0859059 -1.1469747 -0.2371844 -0.0853544 -0.1937467 -1.1478128 19 F -1.6495522 0.0082635 -0.0803845 0.0859059 -1.1469747 -0.2371844 -0.0853544 -0.1937467 -1.1478128 20 F -1.6495522 -0.0082635 -0.0803845 -0.0859059 -1.1469747 0.2371844 -0.0853544 0.1937467 -1.1478128 21 F -0.8851270 -0.0371634 0.0826496 -0.0440162 -1.1526151 0.3297303 0.0450021 0.4268510 -1.7076714 22 F -0.8851270 0.0371634 0.0826496 0.0440162 -1.1526151 -0.3297303 0.0450021 -0.4268510 -1.7076714 23 F -0.8851270 -0.0371634 0.0826496 -0.0440162 -1.1526151 0.3297303 0.0450021 0.4268510 -1.7076714 24 F -0.8851270 0.0371634 0.0826496 0.0440162 -1.1526151 -0.3297303 0.0450021 -0.4268510 -1.7076714 25 F -1.5541249 -0.2638735 0.2631744 -0.2237415 -1.3887010 -0.1328128 0.2448538 -0.0820526 -0.8976602 26 F -1.5541249 0.2638735 0.2631744 0.2237415 -1.3887010 0.1328128 0.2448538 0.0820526 -0.8976602 27 F -1.5541249 -0.2638735 0.2631744 -0.2237415 -1.3887010 -0.1328128 0.2448538 -0.0820526 -0.8976602 28 F -1.5541249 0.2638735 0.2631744 0.2237415 -1.3887010 0.1328128 0.2448538 0.0820526 -0.8976602 29 F -1.2185331 -0.0402869 0.0826930 -0.0381754 -1.2272238 -0.0221170 0.1020093 -0.0289029 -1.4241713 30 F -1.2185331 0.0402869 0.0826930 0.0381754 -1.2272238 0.0221170 0.1020093 0.0289029 -1.4241713 31 F -1.2185331 -0.0402869 0.0826930 -0.0381754 -1.2272238 -0.0221170 0.1020093 -0.0289029 -1.4241713 32 F -1.2185331 0.0402869 0.0826930 0.0381754 -1.2272238 0.0221170 0.1020093 0.0289029 -1.4241713 33 F -1.3908182 -0.0031990 -0.4278506 0.0290949 -1.3198164 -0.0299096 -0.3787050 -0.1039573 -1.2240471 34 F -1.3908182 0.0031990 -0.4278506 -0.0290949 -1.3198164 0.0299096 -0.3787050 0.1039573 -1.2240471 35 F -1.3908182 -0.0031990 -0.4278506 0.0290949 -1.3198164 -0.0299096 -0.3787050 -0.1039573 -1.2240471 36 F -1.3908182 0.0031990 -0.4278506 -0.0290949 -1.3198164 0.0299096 -0.3787050 0.1039573 -1.2240471 37 F -1.5690030 -0.0159312 0.0830563 -0.0045612 -0.9004567 0.0943517 0.0662061 0.0721408 -1.1449791 38 F -1.5690030 0.0159312 0.0830563 0.0045612 -0.9004567 -0.0943517 0.0662061 -0.0721408 -1.1449791 39 F -1.5690030 -0.0159312 0.0830563 -0.0045612 -0.9004567 0.0943517 0.0662061 0.0721408 -1.1449791 40 F -1.5690030 0.0159312 0.0830563 0.0045612 -0.9004567 -0.0943517 0.0662061 -0.0721408 -1.1449791 41 F -0.9176219 -0.1030874 -0.1319641 -0.1600688 -1.4517684 0.2043570 -0.1505332 0.2503700 -1.1920281 42 F -0.9176219 0.1030874 -0.1319641 0.1600688 -1.4517684 -0.2043570 -0.1505332 -0.2503700 -1.1920281 43 F -0.9176219 -0.1030874 -0.1319641 -0.1600688 -1.4517684 0.2043570 -0.1505332 0.2503700 -1.1920281 44 F -0.9176219 0.1030874 -0.1319641 0.1600688 -1.4517684 -0.2043570 -0.1505332 -0.2503700 -1.1920281 45 F -1.0012474 -0.3106289 0.0709871 -0.3466490 -1.4902845 0.2778038 0.0828217 0.2584511 -1.1864647 46 F -1.0012474 0.3106289 0.0709871 0.3466490 -1.4902845 -0.2778038 0.0828217 -0.2584511 -1.1864647 47 F -1.0012474 -0.3106289 0.0709871 -0.3466490 -1.4902845 0.2778038 0.0828217 0.2584511 -1.1864647 48 F -1.6495522 -0.0082635 -0.0803845 -0.0859059 -1.1469747 0.2371844 -0.0853544 0.1937467 -1.1478128 49 Al 3.0842933 -0.0080598 0.0006089 0.1287238 3.2064344 0.1348736 0.0309936 -0.0022571 3.0021720 50 Al 3.0842933 0.0080598 0.0006089 -0.1287238 3.2064344 -0.1348736 0.0309936 0.0022571 3.0021720 51 Al 3.0842933 -0.0080598 0.0006089 0.1287238 3.2064344 0.1348736 0.0309936 -0.0022571 3.0021720 52 Al 3.0842933 0.0080598 0.0006089 -0.1287238 3.2064344 -0.1348736 0.0309936 0.0022571 3.0021720 53 Al 3.1026015 -0.0892117 -0.0658391 0.0438470 3.0769714 0.0218534 0.0755187 0.1880653 3.1605841 54 Al 3.1026015 0.0892117 -0.0658391 -0.0438470 3.0769714 -0.0218534 0.0755187 -0.1880653 3.1605841 55 Al 3.1026015 -0.0892117 -0.0658391 0.0438470 3.0769714 0.0218534 0.0755187 0.1880653 3.1605841 56 Al 3.1026015 0.0892117 -0.0658391 -0.0438470 3.0769714 -0.0218534 0.0755187 -0.1880653 3.1605841 57 Pb 3.1390588 0.0768496 -0.2866972 0.1036047 3.2110500 0.0323100 -0.4096233 0.0911186 2.9327865 58 Pb 3.1390588 -0.0768496 -0.2866972 -0.1036047 3.2110500 -0.0323100 -0.4096233 -0.0911186 2.9327865 59 Pb 3.1390588 0.0768496 -0.2866972 0.1036047 3.2110500 0.0323100 -0.4096233 0.0911186 2.9327865 60 Pb 3.1390588 -0.0768496 -0.2866972 -0.1036047 3.2110500 -0.0323100 -0.4096233 -0.0911186 2.9327865 61 Pb 3.1453189 0.1452041 0.0048987 0.2197879 3.3181420 0.3569820 0.0318520 0.1433276 3.0562620 62 Pb 3.1453189 -0.1452041 0.0048987 -0.2197879 3.3181420 -0.3569820 0.0318520 -0.1433276 3.0562620 63 Pb 3.1453189 0.1452041 0.0048987 0.2197879 3.3181420 0.3569820 0.0318520 0.1433276 3.0562620 64 Pb 3.1453189 -0.1452041 0.0048987 -0.2197879 3.3181420 -0.3569820 0.0318520 -0.1433276 3.0562620 65 Pb 3.0154105 -0.0999575 -0.0945326 0.0173830 3.1205224 0.0816049 0.0041266 -0.0622267 3.0695539 66 Pb 3.0154105 0.0999575 -0.0945326 -0.0173830 3.1205224 -0.0816049 0.0041266 0.0622267 3.0695539 67 Pb 3.0154105 -0.0999575 -0.0945326 0.0173830 3.1205224 0.0816049 0.0041266 -0.0622267 3.0695539 68 Pb 3.0154105 0.0999575 -0.0945326 -0.0173830 3.1205224 -0.0816049 0.0041266 0.0622267 3.0695539 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xzx) 0.00000000 (xzx) 0.00000000 (xxz) 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 5 5 ] 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: 0.43, Number of G-points: 289, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/54) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 54 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 1.076 ( 0.000 0.000 0.000) 0.000 1.112 ( 0.000 0.000 0.000) 0.000 1.162 ( 0.000 0.000 0.000) 0.000 1.233 ( 0.000 0.000 0.000) 0.000 1.239 ( 0.000 0.000 0.000) 0.000 1.264 ( 0.000 0.000 0.000) 0.000 1.268 ( 0.000 0.000 0.000) 0.000 1.298 ( 0.000 0.000 0.000) 0.000 1.421 ( 0.000 0.000 0.000) 0.000 1.427 ( 0.000 0.000 0.000) 0.000 1.496 ( 0.000 0.000 0.000) 0.000 1.549 ( 0.000 0.000 0.000) 0.000 1.591 ( 0.000 0.000 0.000) 0.000 1.655 ( 0.000 0.000 0.000) 0.000 1.671 ( 0.000 0.000 0.000) 0.000 1.682 ( 0.000 0.000 0.000) 0.000 1.761 ( 0.000 0.000 0.000) 0.000 1.792 ( 0.000 0.000 0.000) 0.000 1.837 ( 0.000 0.000 0.000) 0.000 1.968 ( 0.000 0.000 0.000) 0.000 2.032 ( 0.000 0.000 0.000) 0.000 2.046 ( 0.000 0.000 0.000) 0.000 2.135 ( 0.000 0.000 0.000) 0.000 2.207 ( 0.000 0.000 0.000) 0.000 2.215 ( 0.000 0.000 0.000) 0.000 2.244 ( 0.000 0.000 0.000) 0.000 2.288 ( 0.000 0.000 0.000) 0.000 2.309 ( 0.000 0.000 0.000) 0.000 2.413 ( 0.000 0.000 0.000) 0.000 2.432 ( 0.000 0.000 0.000) 0.000 2.520 ( 0.000 0.000 0.000) 0.000 2.580 ( 0.000 0.000 0.000) 0.000 2.649 ( 0.000 0.000 0.000) 0.000 2.652 ( 0.000 0.000 0.000) 0.000 2.730 ( 0.000 0.000 0.000) 0.000 2.885 ( 0.000 0.000 0.000) 0.000 2.929 ( 0.000 0.000 0.000) 0.000 2.977 ( 0.000 0.000 0.000) 0.000 2.984 ( 0.000 0.000 0.000) 0.000 2.985 ( 0.000 0.000 0.000) 0.000 3.102 ( 0.000 0.000 0.000) 0.000 3.155 ( 0.000 0.000 0.000) 0.000 3.230 ( 0.000 0.000 0.000) 0.000 3.293 ( 0.000 0.000 0.000) 0.000 3.503 ( 0.000 0.000 0.000) 0.000 3.537 ( 0.000 0.000 0.000) 0.000 3.594 ( 0.000 0.000 0.000) 0.000 3.606 ( 0.000 0.000 0.000) 0.000 3.650 ( 0.000 0.000 0.000) 0.000 3.686 ( 0.000 0.000 0.000) 0.000 3.720 ( 0.000 0.000 0.000) 0.000 3.751 ( 0.000 0.000 0.000) 0.000 3.767 ( 0.000 0.000 0.000) 0.000 3.859 ( 0.000 0.000 0.000) 0.000 4.007 ( 0.000 0.000 0.000) 0.000 4.112 ( 0.000 0.000 0.000) 0.000 4.124 ( 0.000 0.000 0.000) 0.000 4.176 ( 0.000 0.000 0.000) 0.000 4.240 ( 0.000 0.000 0.000) 0.000 4.263 ( 0.000 0.000 0.000) 0.000 4.448 ( 0.000 0.000 0.000) 0.000 4.476 ( 0.000 0.000 0.000) 0.000 4.581 ( 0.000 0.000 0.000) 0.000 4.583 ( 0.000 0.000 0.000) 0.000 4.604 ( 0.000 0.000 0.000) 0.000 4.718 ( 0.000 0.000 0.000) 0.000 4.732 ( 0.000 0.000 0.000) 0.000 4.823 ( 0.000 0.000 0.000) 0.000 4.893 ( 0.000 0.000 0.000) 0.000 5.045 ( 0.000 0.000 0.000) 0.000 5.077 ( 0.000 0.000 0.000) 0.000 5.123 ( 0.000 0.000 0.000) 0.000 5.127 ( 0.000 0.000 0.000) 0.000 5.161 ( 0.000 0.000 0.000) 0.000 5.263 ( 0.000 0.000 0.000) 0.000 5.485 ( 0.000 0.000 0.000) 0.000 5.502 ( 0.000 0.000 0.000) 0.000 5.529 ( 0.000 0.000 0.000) 0.000 5.615 ( 0.000 0.000 0.000) 0.000 5.661 ( 0.000 0.000 0.000) 0.000 5.700 ( 0.000 0.000 0.000) 0.000 5.817 ( 0.000 0.000 0.000) 0.000 5.920 ( 0.000 0.000 0.000) 0.000 6.034 ( 0.000 0.000 0.000) 0.000 6.061 ( 0.000 0.000 0.000) 0.000 6.073 ( 0.000 0.000 0.000) 0.000 6.204 ( 0.000 0.000 0.000) 0.000 6.242 ( 0.000 0.000 0.000) 0.000 6.250 ( 0.000 0.000 0.000) 0.000 6.272 ( 0.000 0.000 0.000) 0.000 6.418 ( 0.000 0.000 0.000) 0.000 6.494 ( 0.000 0.000 0.000) 0.000 6.693 ( 0.000 0.000 0.000) 0.000 6.745 ( 0.000 0.000 0.000) 0.000 6.765 ( 0.000 0.000 0.000) 0.000 6.775 ( 0.000 0.000 0.000) 0.000 6.825 ( 0.000 0.000 0.000) 0.000 6.885 ( 0.000 0.000 0.000) 0.000 6.945 ( 0.000 0.000 0.000) 0.000 7.022 ( 0.000 0.000 0.000) 0.000 7.129 ( 0.000 0.000 0.000) 0.000 7.160 ( 0.000 0.000 0.000) 0.000 7.242 ( 0.000 0.000 0.000) 0.000 7.268 ( 0.000 0.000 0.000) 0.000 7.331 ( 0.000 0.000 0.000) 0.000 7.443 ( 0.000 0.000 0.000) 0.000 7.490 ( 0.000 0.000 0.000) 0.000 7.629 ( 0.000 0.000 0.000) 0.000 7.678 ( 0.000 0.000 0.000) 0.000 7.880 ( 0.000 0.000 0.000) 0.000 7.959 ( 0.000 0.000 0.000) 0.000 8.000 ( 0.000 0.000 0.000) 0.000 8.032 ( 0.000 0.000 0.000) 0.000 8.278 ( 0.000 0.000 0.000) 0.000 8.326 ( 0.000 0.000 0.000) 0.000 8.358 ( 0.000 0.000 0.000) 0.000 8.406 ( 0.000 0.000 0.000) 0.000 8.489 ( 0.000 0.000 0.000) 0.000 8.539 ( 0.000 0.000 0.000) 0.000 8.674 ( 0.000 0.000 0.000) 0.000 8.754 ( 0.000 0.000 0.000) 0.000 8.838 ( 0.000 0.000 0.000) 0.000 8.861 ( 0.000 0.000 0.000) 0.000 8.876 ( 0.000 0.000 0.000) 0.000 9.137 ( 0.000 0.000 0.000) 0.000 9.239 ( 0.000 0.000 0.000) 0.000 9.268 ( 0.000 0.000 0.000) 0.000 9.388 ( 0.000 0.000 0.000) 0.000 9.472 ( 0.000 0.000 0.000) 0.000 9.570 ( 0.000 0.000 0.000) 0.000 9.711 ( 0.000 0.000 0.000) 0.000 9.824 ( 0.000 0.000 0.000) 0.000 9.859 ( 0.000 0.000 0.000) 0.000 9.992 ( 0.000 0.000 0.000) 0.000 10.013 ( 0.000 0.000 0.000) 0.000 10.034 ( 0.000 0.000 0.000) 0.000 10.108 ( 0.000 0.000 0.000) 0.000 10.184 ( 0.000 0.000 0.000) 0.000 10.234 ( 0.000 0.000 0.000) 0.000 10.373 ( 0.000 0.000 0.000) 0.000 10.458 ( 0.000 0.000 0.000) 0.000 10.536 ( 0.000 0.000 0.000) 0.000 10.561 ( 0.000 0.000 0.000) 0.000 10.594 ( 0.000 0.000 0.000) 0.000 10.601 ( 0.000 0.000 0.000) 0.000 10.945 ( 0.000 0.000 0.000) 0.000 11.002 ( 0.000 0.000 0.000) 0.000 11.004 ( 0.000 0.000 0.000) 0.000 11.096 ( 0.000 0.000 0.000) 0.000 11.242 ( 0.000 0.000 0.000) 0.000 11.255 ( 0.000 0.000 0.000) 0.000 11.355 ( 0.000 0.000 0.000) 0.000 11.414 ( 0.000 0.000 0.000) 0.000 11.658 ( 0.000 0.000 0.000) 0.000 11.870 ( 0.000 0.000 0.000) 0.000 12.168 ( 0.000 0.000 0.000) 0.000 12.224 ( 0.000 0.000 0.000) 0.000 12.247 ( 0.000 0.000 0.000) 0.000 12.306 ( 0.000 0.000 0.000) 0.000 12.365 ( 0.000 0.000 0.000) 0.000 12.415 ( 0.000 0.000 0.000) 0.000 12.446 ( 0.000 0.000 0.000) 0.000 12.466 ( 0.000 0.000 0.000) 0.000 12.541 ( 0.000 0.000 0.000) 0.000 12.878 ( 0.000 0.000 0.000) 0.000 12.886 ( 0.000 0.000 0.000) 0.000 13.080 ( 0.000 0.000 0.000) 0.000 13.153 ( 0.000 0.000 0.000) 0.000 13.167 ( 0.000 0.000 0.000) 0.000 14.430 ( 0.000 0.000 0.000) 0.000 14.849 ( 0.000 0.000 0.000) 0.000 15.186 ( 0.000 0.000 0.000) 0.000 15.300 ( 0.000 0.000 0.000) 0.000 15.529 ( 0.000 0.000 0.000) 0.000 15.734 ( 0.000 0.000 0.000) 0.000 15.773 ( 0.000 0.000 0.000) 0.000 15.900 ( 0.000 0.000 0.000) 0.000 16.512 ( 0.000 0.000 0.000) 0.000 16.645 ( 0.000 0.000 0.000) 0.000 16.825 ( 0.000 0.000 0.000) 0.000 16.853 ( 0.000 0.000 0.000) 0.000 17.060 ( 0.000 0.000 0.000) 0.000 17.063 ( 0.000 0.000 0.000) 0.000 17.109 ( 0.000 0.000 0.000) 0.000 18.030 ( 0.000 0.000 0.000) 0.000 18.033 ( 0.000 0.000 0.000) 0.000 18.093 ( 0.000 0.000 0.000) 0.000 18.105 ( 0.000 0.000 0.000) 0.000 18.177 ( 0.000 0.000 0.000) 0.000 18.303 ( 0.000 0.000 0.000) 0.000 18.323 ( 0.000 0.000 0.000) 0.000 18.340 ( 0.000 0.000 0.000) 0.000 18.356 ( 0.000 0.000 0.000) 0.000 18.390 ( 0.000 0.000 0.000) 0.000 18.631 ( 0.000 0.000 0.000) 0.000 18.785 ( 0.000 0.000 0.000) 0.000 18.909 ( 0.000 0.000 0.000) 0.000 18.972 ( 0.000 0.000 0.000) 0.000 19.344 ( 0.000 0.000 0.000) 0.000 19.449 ( 0.000 0.000 0.000) 0.000 19.568 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/54) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.295 ( 11.883 0.000 7.960) 14.303 0.396 ( 13.412 0.000 12.527) 18.352 0.642 ( 24.643 0.000 13.336) 28.020 1.036 ( -2.885 0.000 -1.404) 3.208 1.088 ( 0.275 0.000 -3.691) 3.701 1.168 ( -1.506 0.000 2.799) 3.178 1.236 ( 0.943 0.000 -0.677) 1.161 1.239 ( 0.460 0.000 0.379) 0.596 1.282 ( 0.045 0.000 -0.186) 0.192 1.311 ( 0.464 0.000 2.962) 2.998 1.322 ( 4.395 0.000 0.242) 4.401 1.360 ( -4.719 0.000 -0.346) 4.732 1.481 ( 4.751 0.000 -0.443) 4.771 1.488 ( -3.679 0.000 -0.762) 3.757 1.541 ( 0.131 0.000 2.063) 2.068 1.594 ( 0.084 0.000 0.757) 0.762 1.606 ( -4.245 0.000 -0.557) 4.281 1.638 ( -1.594 0.000 0.693) 1.738 1.720 ( 1.666 0.000 -0.746) 1.825 1.751 ( -2.149 0.000 0.768) 2.282 1.832 ( 0.174 0.000 0.488) 0.518 1.833 ( 0.451 0.000 3.388) 3.418 1.946 ( -2.304 0.000 -0.026) 2.304 2.054 ( 1.285 0.000 -0.516) 1.384 2.064 ( 2.351 0.000 0.390) 2.384 2.162 ( -2.242 0.000 -6.444) 6.823 2.173 ( 0.130 0.000 -0.825) 0.835 2.244 ( -0.669 0.000 -1.305) 1.467 2.255 ( 0.016 0.000 -3.538) 3.539 2.340 ( 1.353 0.000 -0.629) 1.492 2.345 ( 0.431 0.000 3.094) 3.124 2.449 ( -0.607 0.000 2.903) 2.966 2.485 ( 8.143 0.000 -3.174) 8.740 2.539 ( -12.896 0.000 4.140) 13.544 2.558 ( 2.315 0.000 1.637) 2.835 2.663 ( -0.147 0.000 1.929) 1.935 2.743 ( 3.582 0.000 1.677) 3.955 2.813 ( 5.066 0.000 3.499) 6.157 2.873 ( 0.061 0.000 -2.630) 2.630 2.907 ( -2.655 0.000 -1.107) 2.877 2.968 ( -2.028 0.000 2.224) 3.010 3.027 ( 6.899 0.000 -3.014) 7.529 3.105 ( -1.057 0.000 2.832) 3.023 3.135 ( 2.794 0.000 1.750) 3.297 3.204 ( -1.676 0.000 -1.589) 2.309 3.331 ( -2.148 0.000 3.861) 4.418 3.462 ( -3.941 0.000 -0.629) 3.991 3.491 ( -2.610 0.000 -2.054) 3.321 3.548 ( -3.350 0.000 -1.174) 3.550 3.558 ( 7.608 0.000 -10.635) 13.076 3.618 ( -0.029 0.000 -1.721) 1.721 3.651 ( -1.899 0.000 1.768) 2.595 3.698 ( -0.910 0.000 1.349) 1.627 3.714 ( 3.226 0.000 -0.919) 3.354 3.790 ( 2.076 0.000 0.624) 2.168 3.850 ( 2.696 0.000 -2.354) 3.579 4.025 ( -2.658 0.000 1.936) 3.288 4.034 ( 0.771 0.000 -3.802) 3.880 4.104 ( -1.557 0.000 1.172) 1.949 4.112 ( -0.406 0.000 -2.813) 2.843 4.207 ( 0.211 0.000 0.419) 0.470 4.249 ( 4.929 0.000 5.084) 7.081 4.347 ( 3.364 0.000 2.110) 3.970 4.410 ( 0.103 0.000 -5.035) 5.036 4.504 ( -6.218 0.000 -0.832) 6.273 4.555 ( -1.662 0.000 -4.099) 4.423 4.599 ( -1.828 0.000 2.846) 3.382 4.704 ( 1.040 0.000 1.917) 2.181 4.717 ( -2.588 0.000 -0.359) 2.613 4.779 ( -0.657 0.000 -1.334) 1.487 4.847 ( -8.131 0.000 2.477) 8.500 5.014 ( 0.424 0.000 1.782) 1.832 5.016 ( -4.186 0.000 1.569) 4.471 5.089 ( 2.073 0.000 -1.835) 2.768 5.166 ( -5.417 0.000 12.074) 13.234 5.167 ( 1.550 0.000 3.603) 3.923 5.282 ( -1.428 0.000 -4.904) 5.107 5.309 ( 5.476 0.000 -0.901) 5.550 5.463 ( -1.957 0.000 0.023) 1.958 5.522 ( 0.218 0.000 -0.666) 0.701 5.541 ( 2.101 0.000 1.639) 2.665 5.609 ( -3.816 0.000 2.590) 4.612 5.677 ( -0.644 0.000 2.353) 2.439 5.691 ( 0.282 0.000 -0.733) 0.786 5.842 ( 1.267 0.000 0.933) 1.574 5.908 ( 4.561 0.000 -7.769) 9.008 5.952 ( -3.542 0.000 -8.680) 9.375 6.009 ( -4.903 0.000 1.587) 5.154 6.109 ( 3.312 0.000 -3.042) 4.497 6.206 ( -3.954 0.000 -2.007) 4.434 6.229 ( -1.466 0.000 3.844) 4.114 6.294 ( 0.810 0.000 2.875) 2.987 6.410 ( 0.369 0.000 -3.456) 3.476 6.416 ( 1.704 0.000 2.411) 2.952 6.460 ( -4.052 0.000 2.796) 4.923 6.691 ( -0.927 0.000 0.883) 1.280 6.766 ( 0.512 0.000 -1.465) 1.552 6.770 ( 0.331 0.000 0.118) 0.352 6.824 ( -5.849 0.000 -0.549) 5.875 6.898 ( 4.235 0.000 -9.947) 10.811 6.905 ( 1.391 0.000 0.966) 1.693 6.944 ( 2.799 0.000 -0.560) 2.854 7.050 ( -5.932 0.000 -0.107) 5.933 7.086 ( 1.468 0.000 -0.619) 1.593 7.240 ( 0.928 0.000 4.149) 4.252 7.253 ( 1.579 0.000 0.649) 1.707 7.332 ( 3.725 0.000 -2.911) 4.727 7.387 ( 3.229 0.000 -2.857) 4.311 7.451 ( -0.913 0.000 -4.927) 5.011 7.477 ( 5.758 0.000 -1.182) 5.878 7.672 ( 1.490 0.000 -1.114) 1.861 7.827 ( 7.549 0.000 -7.868) 10.904 7.872 ( -3.877 0.000 2.079) 4.399 7.955 ( -2.152 0.000 1.295) 2.511 8.050 ( -0.907 0.000 1.055) 1.391 8.051 ( -0.035 0.000 3.526) 3.526 8.170 ( -5.653 0.000 -0.893) 5.724 8.218 ( -7.966 0.000 0.248) 7.969 8.436 ( -1.101 0.000 2.223) 2.481 8.463 ( 7.568 0.000 -0.238) 7.572 8.473 ( 1.848 0.000 -1.238) 2.225 8.646 ( 7.321 0.000 3.913) 8.301 8.687 ( -3.299 0.000 4.120) 5.278 8.770 ( 0.163 0.000 1.561) 1.569 8.773 ( -5.935 0.000 -0.815) 5.991 8.887 ( 0.424 0.000 0.983) 1.071 9.084 ( 9.669 0.000 0.212) 9.671 9.128 ( -2.218 0.000 0.354) 2.246 9.249 ( -5.893 0.000 2.145) 6.272 9.286 ( 2.458 0.000 -0.650) 2.542 9.435 ( 1.869 0.000 2.960) 3.501 9.461 ( 0.081 0.000 -1.494) 1.497 9.601 ( 1.592 0.000 2.327) 2.820 9.637 ( -1.697 0.000 -3.614) 3.993 9.812 ( -0.098 0.000 -0.693) 0.700 9.899 ( -0.321 0.000 1.855) 1.883 9.905 ( -5.624 0.000 -4.976) 7.509 10.044 ( -5.017 0.000 -4.081) 6.468 10.047 ( 2.720 0.000 1.028) 2.908 10.104 ( -2.825 0.000 2.593) 3.835 10.189 ( -0.927 0.000 1.135) 1.465 10.358 ( 5.762 0.000 -7.105) 9.147 10.404 ( 1.148 0.000 2.790) 3.016 10.536 ( 1.032 0.000 4.706) 4.818 10.537 ( 3.769 0.000 -1.514) 4.062 10.548 ( 0.682 0.000 -4.918) 4.965 10.651 ( 4.464 0.000 5.361) 6.976 10.708 ( -8.740 0.000 -3.103) 9.275 10.957 ( 4.928 0.000 -9.759) 10.933 11.034 ( 2.703 0.000 0.359) 2.727 11.081 ( -0.946 0.000 -0.152) 0.958 11.104 ( 2.136 0.000 1.522) 2.623 11.270 ( 1.633 0.000 -0.247) 1.652 11.278 ( 1.438 0.000 2.101) 2.546 11.395 ( 0.628 0.000 4.933) 4.972 11.413 ( -0.853 0.000 1.022) 1.331 11.684 ( -0.940 0.000 1.564) 1.825 11.824 ( -3.351 0.000 -3.220) 4.648 12.179 ( -5.236 0.000 -0.864) 5.307 12.190 ( -2.503 0.000 -3.002) 3.909 12.198 ( -7.780 0.000 -0.058) 7.780 12.370 ( -5.771 0.000 6.373) 8.597 12.395 ( 4.795 0.000 -2.886) 5.596 12.397 ( 0.118 0.000 -2.656) 2.659 12.476 ( 1.249 0.000 2.338) 2.651 12.555 ( 3.982 0.000 -0.215) 3.988 12.629 ( 6.090 0.000 -2.110) 6.445 12.894 ( 1.104 0.000 -0.005) 1.104 13.001 ( 1.456 0.000 -1.659) 2.207 13.126 ( -0.149 0.000 -3.067) 3.071 13.169 ( 4.120 0.000 2.829) 4.998 13.217 ( 1.898 0.000 3.165) 3.690 14.429 ( -1.241 0.000 1.916) 2.282 14.773 ( -5.861 0.000 -2.854) 6.519 15.271 ( 6.994 0.000 3.313) 7.739 15.386 ( 9.577 0.000 -7.248) 12.011 15.530 ( 0.774 0.000 -0.438) 0.889 15.730 ( 3.945 0.000 -2.525) 4.684 15.873 ( 1.944 0.000 4.846) 5.221 15.928 ( 3.763 0.000 -0.391) 3.783 16.562 ( 5.785 0.000 -0.152) 5.787 16.820 ( 0.154 0.000 -0.772) 0.787 16.872 ( 0.744 0.000 1.966) 2.102 16.935 ( 15.490 0.000 -21.697) 26.658 17.050 ( -1.611 0.000 0.156) 1.618 17.066 ( -7.286 0.000 3.450) 8.061 17.233 ( 2.290 0.000 -8.622) 8.921 17.994 ( -2.961 0.000 -3.147) 4.321 18.044 ( -6.500 0.000 -2.642) 7.016 18.088 ( 0.709 0.000 -2.692) 2.784 18.124 ( 0.667 0.000 5.292) 5.334 18.188 ( 1.518 0.000 2.561) 2.977 18.256 ( 0.523 0.000 -2.722) 2.772 18.367 ( -0.667 0.000 1.801) 1.920 18.386 ( 0.798 0.000 1.657) 1.839 18.393 ( 1.384 0.000 3.177) 3.466 18.686 ( 2.634 0.000 2.677) 3.755 18.739 ( -0.738 0.000 -2.786) 2.882 18.924 ( 1.410 0.000 0.269) 1.436 18.935 ( -2.448 0.000 -2.116) 3.236 19.143 ( 8.270 0.000 -9.036) 12.249 19.249 ( -2.778 0.000 -13.376) 13.662 19.737 ( -2.338 0.000 14.772) 14.956 20.000 ( -33.595 0.000 33.086) 47.152 ======================= Grid point 2 (3/54) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 10.657 0.000 6.398) 12.430 0.734 ( 9.747 0.000 9.447) 13.574 0.971 ( -0.397 0.000 1.931) 1.971 1.003 ( 4.176 0.000 0.318) 4.188 1.023 ( 0.564 0.000 -5.531) 5.559 1.174 ( -0.872 0.000 -0.081) 0.876 1.206 ( -3.286 0.000 -2.787) 4.309 1.270 ( -0.708 0.000 -1.096) 1.305 1.272 ( 1.633 0.000 -1.028) 1.930 1.310 ( 0.253 0.000 0.010) 0.254 1.373 ( -2.711 0.000 -0.672) 2.793 1.388 ( 0.866 0.000 4.867) 4.944 1.442 ( 4.268 0.000 4.579) 6.260 1.526 ( 0.083 0.000 -0.156) 0.177 1.555 ( -0.172 0.000 -0.601) 0.625 1.607 ( 3.478 0.000 1.988) 4.006 1.627 ( 0.243 0.000 3.304) 3.313 1.652 ( 1.284 0.000 1.318) 1.840 1.708 ( -3.536 0.000 0.768) 3.619 1.733 ( 2.380 0.000 0.410) 2.415 1.871 ( 0.725 0.000 3.278) 3.357 1.878 ( 0.337 0.000 1.497) 1.535 1.935 ( 0.434 0.000 0.318) 0.538 1.994 ( -4.499 0.000 -7.155) 8.452 2.052 ( 0.529 0.000 -1.213) 1.323 2.120 ( 0.640 0.000 0.075) 0.644 2.151 ( 1.498 0.000 -4.514) 4.757 2.165 ( -1.767 0.000 0.571) 1.857 2.294 ( 3.179 0.000 1.185) 3.393 2.319 ( 1.877 0.000 -1.536) 2.425 2.384 ( -5.977 0.000 -2.276) 6.396 2.429 ( -2.490 0.000 3.737) 4.490 2.462 ( 0.111 0.000 -1.260) 1.265 2.567 ( 3.107 0.000 1.974) 3.681 2.618 ( 1.756 0.000 1.845) 2.547 2.691 ( -2.924 0.000 5.197) 5.963 2.799 ( 2.412 0.000 -0.229) 2.422 2.805 ( -1.945 0.000 -2.807) 3.415 2.891 ( -0.015 0.000 2.232) 2.232 2.899 ( -0.848 0.000 0.524) 0.997 3.043 ( 4.318 0.000 3.935) 5.842 3.081 ( -0.838 0.000 -3.038) 3.152 3.132 ( 2.246 0.000 -0.086) 2.248 3.161 ( 7.025 0.000 -5.039) 8.645 3.228 ( 3.307 0.000 4.080) 5.252 3.285 ( -3.079 0.000 0.413) 3.106 3.383 ( -3.828 0.000 -1.983) 4.311 3.467 ( 0.845 0.000 -0.473) 0.969 3.513 ( -0.499 0.000 1.013) 1.129 3.531 ( 3.097 0.000 -5.763) 6.542 3.581 ( -1.518 0.000 1.229) 1.953 3.637 ( -5.508 0.000 4.455) 7.085 3.706 ( -0.029 0.000 1.830) 1.830 3.768 ( 2.377 0.000 0.082) 2.378 3.830 ( 3.523 0.000 -1.848) 3.978 3.892 ( 2.044 0.000 2.213) 3.012 3.956 ( -6.387 0.000 0.566) 6.412 4.002 ( -1.767 0.000 0.634) 1.877 4.053 ( -0.939 0.000 -2.826) 2.978 4.110 ( -1.173 0.000 1.936) 2.264 4.202 ( 0.937 0.000 -3.884) 3.995 4.292 ( -1.692 0.000 -8.340) 8.509 4.375 ( -2.932 0.000 -0.120) 2.935 4.426 ( 4.542 0.000 2.614) 5.241 4.457 ( -1.833 0.000 4.250) 4.628 4.479 ( 0.218 0.000 -2.059) 2.070 4.569 ( -4.870 0.000 -0.898) 4.952 4.659 ( -1.999 0.000 3.573) 4.095 4.713 ( 0.673 0.000 -1.828) 1.948 4.748 ( -7.365 0.000 2.776) 7.871 4.792 ( 0.943 0.000 -0.438) 1.040 4.990 ( -1.863 0.000 1.622) 2.470 5.058 ( 5.128 0.000 -2.260) 5.604 5.090 ( -0.058 0.000 -5.199) 5.199 5.193 ( 4.490 0.000 -4.366) 6.263 5.249 ( 2.273 0.000 3.186) 3.914 5.262 ( -3.499 0.000 9.134) 9.782 5.365 ( 2.893 0.000 -1.802) 3.408 5.424 ( -2.036 0.000 -0.679) 2.146 5.511 ( -1.029 0.000 -1.000) 1.434 5.548 ( -4.862 0.000 -2.133) 5.309 5.574 ( -2.459 0.000 1.947) 3.137 5.691 ( -1.315 0.000 2.448) 2.779 5.725 ( 0.592 0.000 4.282) 4.323 5.787 ( -2.503 0.000 -3.843) 4.587 5.870 ( 2.895 0.000 -4.853) 5.651 5.884 ( 2.493 0.000 -0.921) 2.658 5.960 ( -4.096 0.000 1.556) 4.382 6.101 ( -2.476 0.000 -4.111) 4.799 6.107 ( -0.188 0.000 -0.871) 0.891 6.272 ( -1.889 0.000 5.742) 6.045 6.325 ( -5.381 0.000 -1.424) 5.566 6.349 ( 4.291 0.000 -0.688) 4.345 6.486 ( 3.562 0.000 1.231) 3.768 6.487 ( 0.871 0.000 2.746) 2.881 6.667 ( 2.737 0.000 -5.148) 5.830 6.738 ( -3.220 0.000 0.215) 3.228 6.778 ( -2.282 0.000 0.311) 2.303 6.778 ( -0.176 0.000 1.631) 1.640 6.808 ( 0.029 0.000 -5.059) 5.059 6.852 ( -3.767 0.000 -2.152) 4.338 6.976 ( -3.202 0.000 -0.848) 3.312 6.976 ( -0.058 0.000 0.903) 0.905 7.138 ( -0.647 0.000 3.736) 3.792 7.265 ( 1.958 0.000 -4.241) 4.671 7.307 ( 2.045 0.000 0.754) 2.180 7.317 ( -1.130 0.000 -3.260) 3.451 7.355 ( 3.757 0.000 -5.621) 6.761 7.367 ( 0.228 0.000 -2.712) 2.721 7.508 ( -0.080 0.000 -1.636) 1.638 7.690 ( -0.315 0.000 -1.359) 1.395 7.798 ( -3.961 0.000 -0.445) 3.986 7.882 ( 7.266 0.000 -1.909) 7.513 7.929 ( -3.195 0.000 1.105) 3.380 7.973 ( -5.218 0.000 -0.102) 5.219 8.107 ( -7.139 0.000 0.523) 7.158 8.144 ( 4.791 0.000 4.815) 6.792 8.238 ( 5.800 0.000 4.966) 7.635 8.450 ( -1.627 0.000 3.816) 4.148 8.505 ( -0.847 0.000 3.141) 3.253 8.559 ( 2.584 0.000 1.608) 3.044 8.675 ( -2.579 0.000 0.257) 2.592 8.716 ( -2.884 0.000 3.369) 4.435 8.797 ( 1.886 0.000 0.464) 1.943 8.836 ( 10.124 0.000 4.190) 10.957 8.914 ( 0.556 0.000 1.616) 1.709 9.069 ( -3.187 0.000 -2.818) 4.254 9.176 ( -2.464 0.000 -2.851) 3.769 9.209 ( 5.743 0.000 -1.575) 5.955 9.297 ( 1.050 0.000 -1.352) 1.712 9.444 ( -0.510 0.000 -0.277) 0.580 9.505 ( 2.304 0.000 2.086) 3.108 9.614 ( 1.968 0.000 -0.878) 2.155 9.662 ( -0.355 0.000 3.429) 3.448 9.785 ( -0.889 0.000 -0.965) 1.313 9.806 ( 0.836 0.000 -1.025) 1.323 9.869 ( -5.746 0.000 -5.844) 8.196 9.889 ( -3.890 0.000 1.287) 4.098 10.075 ( -0.585 0.000 0.102) 0.594 10.137 ( 1.388 0.000 2.471) 2.834 10.206 ( 3.448 0.000 -0.763) 3.531 10.295 ( -1.616 0.000 -7.189) 7.368 10.451 ( -0.135 0.000 1.600) 1.605 10.466 ( -2.459 0.000 -7.945) 8.316 10.565 ( 0.360 0.000 -1.406) 1.451 10.592 ( 1.478 0.000 2.454) 2.864 10.618 ( -0.862 0.000 3.732) 3.831 10.835 ( 9.298 0.000 5.288) 10.697 10.893 ( 1.686 0.000 -5.924) 6.159 11.019 ( -3.676 0.000 0.216) 3.683 11.132 ( 1.020 0.000 0.225) 1.045 11.134 ( 5.896 0.000 0.397) 5.909 11.288 ( 1.127 0.000 0.176) 1.140 11.303 ( -0.160 0.000 -0.692) 0.710 11.429 ( 0.640 0.000 1.505) 1.635 11.491 ( 1.648 0.000 5.148) 5.406 11.684 ( -6.390 0.000 -5.212) 8.246 11.702 ( -1.145 0.000 3.446) 3.631 12.077 ( -3.946 0.000 -3.707) 5.414 12.077 ( -7.118 0.000 -0.879) 7.172 12.112 ( -3.298 0.000 -0.573) 3.348 12.343 ( -0.846 0.000 -4.172) 4.257 12.354 ( -4.059 0.000 2.313) 4.672 12.385 ( 0.096 0.000 -1.597) 1.600 12.551 ( 3.040 0.000 3.879) 4.928 12.658 ( 8.339 0.000 -0.812) 8.379 12.712 ( 4.122 0.000 2.579) 4.862 12.910 ( -0.742 0.000 0.485) 0.887 13.031 ( 1.895 0.000 1.209) 2.248 13.076 ( 0.352 0.000 -2.824) 2.845 13.241 ( 1.160 0.000 1.256) 1.710 13.270 ( 0.958 0.000 0.101) 0.964 14.468 ( 0.536 0.000 4.536) 4.567 14.634 ( -6.201 0.000 -2.800) 6.804 15.372 ( 0.544 0.000 -6.059) 6.083 15.426 ( 3.336 0.000 3.145) 4.585 15.584 ( 8.444 0.000 1.896) 8.654 15.815 ( 10.526 0.000 -1.875) 10.692 15.982 ( 2.812 0.000 4.708) 5.484 15.984 ( 3.832 0.000 -1.011) 3.963 16.659 ( 6.602 0.000 0.871) 6.659 16.814 ( 0.158 0.000 -0.854) 0.869 16.850 ( 6.371 0.000 -12.174) 13.740 16.909 ( -1.664 0.000 2.713) 3.183 17.007 ( -5.244 0.000 1.634) 5.493 17.036 ( 1.266 0.000 -0.997) 1.611 17.132 ( -5.784 0.000 -1.028) 5.875 17.765 ( -12.592 0.000 -7.859) 14.844 17.980 ( 1.730 0.000 -3.430) 3.842 18.063 ( 1.118 0.000 -2.209) 2.476 18.208 ( 2.265 0.000 2.424) 3.317 18.210 ( 2.983 0.000 -4.001) 4.990 18.302 ( -1.655 0.000 7.276) 7.462 18.347 ( -1.261 0.000 -0.425) 1.330 18.425 ( 1.198 0.000 2.424) 2.704 18.479 ( -1.097 0.000 4.178) 4.319 18.701 ( 2.006 0.000 -1.555) 2.538 18.742 ( 1.313 0.000 0.495) 1.404 18.867 ( -2.294 0.000 -1.304) 2.639 18.945 ( 1.221 0.000 -0.792) 1.455 19.063 ( -1.478 0.000 -7.588) 7.730 19.147 ( 3.575 0.000 -3.024) 4.682 19.853 ( -5.784 0.000 10.289) 11.804 19.943 ( -15.720 0.000 12.581) 20.135 ======================= Grid point 3 (4/54) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 5.766 0.000 1.794) 6.038 0.871 ( 0.150 0.000 -0.990) 1.001 0.973 ( -1.328 0.000 2.887) 3.177 1.025 ( -0.726 0.000 -0.693) 1.003 1.028 ( 3.079 0.000 2.895) 4.226 1.133 ( -0.735 0.000 -2.336) 2.449 1.157 ( 1.411 0.000 -2.609) 2.966 1.216 ( -0.778 0.000 -1.144) 1.384 1.292 ( -4.797 0.000 0.330) 4.808 1.310 ( 3.021 0.000 0.878) 3.146 1.323 ( 1.304 0.000 -0.657) 1.460 1.443 ( -1.141 0.000 1.537) 1.914 1.486 ( -3.075 0.000 0.709) 3.155 1.537 ( 0.323 0.000 1.567) 1.600 1.560 ( 0.879 0.000 -0.395) 0.963 1.662 ( 0.659 0.000 0.130) 0.671 1.662 ( 0.722 0.000 0.110) 0.730 1.675 ( 1.162 0.000 -0.615) 1.314 1.704 ( -0.450 0.000 0.443) 0.631 1.823 ( -2.988 0.000 -0.239) 2.997 1.851 ( 7.083 0.000 1.893) 7.331 1.912 ( -0.143 0.000 0.687) 0.702 1.960 ( 0.968 0.000 1.609) 1.877 1.965 ( 1.493 0.000 1.458) 2.087 2.040 ( -1.009 0.000 -0.662) 1.207 2.055 ( 0.375 0.000 -3.583) 3.602 2.144 ( -0.929 0.000 -0.037) 0.929 2.165 ( -0.828 0.000 -0.731) 1.105 2.280 ( -2.119 0.000 0.224) 2.131 2.351 ( 1.587 0.000 0.836) 1.794 2.353 ( 1.101 0.000 0.212) 1.121 2.403 ( -2.421 0.000 -1.166) 2.687 2.457 ( 2.854 0.000 -1.274) 3.126 2.638 ( 1.571 0.000 2.238) 2.734 2.650 ( -1.233 0.000 2.809) 3.068 2.700 ( -0.234 0.000 -3.014) 3.023 2.751 ( -3.903 0.000 3.358) 5.148 2.811 ( -0.149 0.000 -0.072) 0.165 2.877 ( -0.720 0.000 -0.523) 0.890 2.908 ( 0.050 0.000 0.429) 0.432 2.981 ( -2.931 0.000 -2.519) 3.865 3.137 ( 2.248 0.000 0.756) 2.372 3.176 ( 2.618 0.000 1.494) 3.014 3.188 ( 1.819 0.000 -0.294) 1.843 3.292 ( -2.779 0.000 -2.450) 3.705 3.335 ( 3.551 0.000 3.604) 5.059 3.362 ( 9.151 0.000 -1.569) 9.285 3.451 ( -3.016 0.000 -0.570) 3.069 3.453 ( -2.683 0.000 -4.762) 5.466 3.548 ( 0.257 0.000 3.646) 3.655 3.614 ( -3.625 0.000 1.662) 3.988 3.632 ( 3.179 0.000 1.719) 3.614 3.704 ( -4.522 0.000 0.623) 4.565 3.818 ( 4.468 0.000 1.653) 4.764 3.827 ( 0.801 0.000 -0.972) 1.259 3.880 ( -1.320 0.000 -1.209) 1.790 3.962 ( -3.325 0.000 -1.586) 3.684 3.993 ( 1.194 0.000 6.019) 6.137 4.052 ( 0.866 0.000 1.917) 2.104 4.088 ( -1.975 0.000 -2.667) 3.319 4.157 ( -2.262 0.000 -4.187) 4.759 4.173 ( 2.014 0.000 -1.095) 2.292 4.289 ( -4.202 0.000 -3.079) 5.210 4.416 ( 0.803 0.000 -2.830) 2.942 4.427 ( -2.315 0.000 -1.103) 2.564 4.483 ( -2.066 0.000 2.813) 3.490 4.582 ( 0.197 0.000 1.174) 1.190 4.684 ( 1.340 0.000 -2.324) 2.682 4.759 ( 0.930 0.000 5.984) 6.056 4.775 ( 0.670 0.000 6.260) 6.295 4.788 ( 2.418 0.000 -0.101) 2.420 4.929 ( -4.361 0.000 -7.563) 8.730 4.996 ( -0.118 0.000 0.652) 0.662 5.135 ( 8.952 0.000 -3.040) 9.454 5.217 ( -4.525 0.000 -6.350) 7.797 5.224 ( -7.373 0.000 4.238) 8.505 5.322 ( 8.479 0.000 -2.525) 8.847 5.354 ( 1.220 0.000 1.445) 1.891 5.398 ( -5.068 0.000 3.151) 5.968 5.468 ( -1.685 0.000 -1.352) 2.160 5.534 ( -2.443 0.000 -0.245) 2.456 5.547 ( 5.370 0.000 1.556) 5.591 5.677 ( -6.497 0.000 -1.926) 6.776 5.734 ( -0.477 0.000 2.621) 2.664 5.783 ( 0.768 0.000 1.513) 1.697 5.874 ( 1.895 0.000 -0.403) 1.937 5.913 ( 0.902 0.000 0.069) 0.904 5.921 ( -2.633 0.000 0.331) 2.654 6.072 ( 4.889 0.000 -2.119) 5.328 6.088 ( -0.528 0.000 -0.535) 0.752 6.222 ( -6.069 0.000 -0.386) 6.081 6.308 ( -0.503 0.000 1.700) 1.773 6.423 ( 4.237 0.000 1.442) 4.476 6.526 ( 0.216 0.000 -0.711) 0.743 6.530 ( 0.097 0.000 1.547) 1.550 6.655 ( 4.059 0.000 -4.019) 5.712 6.690 ( -3.650 0.000 -0.073) 3.650 6.735 ( 0.949 0.000 -0.902) 1.309 6.761 ( -2.423 0.000 -1.268) 2.735 6.790 ( -1.622 0.000 0.856) 1.834 6.797 ( -0.142 0.000 0.293) 0.326 6.931 ( -1.060 0.000 -0.671) 1.255 6.984 ( -0.455 0.000 0.857) 0.971 7.161 ( -2.248 0.000 3.212) 3.920 7.207 ( 0.653 0.000 -3.777) 3.833 7.236 ( -1.989 0.000 -2.018) 2.833 7.322 ( 0.503 0.000 -0.908) 1.038 7.374 ( 4.922 0.000 -2.359) 5.458 7.388 ( 2.130 0.000 0.240) 2.144 7.456 ( -3.665 0.000 -0.415) 3.688 7.597 ( -3.779 0.000 -1.813) 4.191 7.808 ( 1.659 0.000 -0.076) 1.661 7.897 ( -1.701 0.000 0.481) 1.767 7.920 ( -2.286 0.000 0.501) 2.341 7.953 ( 6.053 0.000 -2.908) 6.715 8.022 ( -5.985 0.000 1.983) 6.305 8.303 ( 5.795 0.000 3.686) 6.868 8.383 ( 6.926 0.000 0.248) 6.931 8.470 ( -4.404 0.000 4.212) 6.094 8.521 ( -1.931 0.000 2.482) 3.145 8.551 ( -3.948 0.000 0.364) 3.965 8.642 ( -0.399 0.000 -1.361) 1.418 8.764 ( 0.426 0.000 3.600) 3.625 8.855 ( 3.881 0.000 1.785) 4.272 8.946 ( 0.668 0.000 1.405) 1.556 8.963 ( -4.311 0.000 -2.894) 5.192 9.032 ( 6.854 0.000 1.005) 6.927 9.091 ( -2.726 0.000 -1.844) 3.291 9.219 ( 2.132 0.000 -4.159) 4.674 9.334 ( 4.975 0.000 1.493) 5.194 9.425 ( -2.309 0.000 -0.002) 2.309 9.545 ( 0.970 0.000 -0.065) 0.972 9.642 ( 2.611 0.000 -0.323) 2.631 9.687 ( -0.097 0.000 2.949) 2.950 9.750 ( -2.281 0.000 -2.726) 3.554 9.775 ( -4.613 0.000 -2.667) 5.328 9.824 ( -2.709 0.000 1.401) 3.050 9.889 ( 6.266 0.000 6.501) 9.029 10.076 ( 0.617 0.000 -0.039) 0.618 10.108 ( -6.489 0.000 -8.287) 10.526 10.205 ( 1.697 0.000 2.645) 3.143 10.247 ( 2.410 0.000 -0.530) 2.468 10.324 ( -3.357 0.000 -4.175) 5.357 10.442 ( -0.971 0.000 -0.554) 1.118 10.591 ( 2.593 0.000 -0.085) 2.594 10.632 ( 0.326 0.000 1.195) 1.239 10.633 ( -0.587 0.000 -0.068) 0.591 10.850 ( 0.321 0.000 -2.125) 2.149 10.946 ( -1.374 0.000 -0.661) 1.525 11.063 ( 5.890 0.000 4.850) 7.629 11.173 ( 1.882 0.000 2.826) 3.396 11.213 ( 2.853 0.000 -0.223) 2.861 11.253 ( -2.186 0.000 -3.256) 3.922 11.316 ( 0.841 0.000 1.255) 1.511 11.444 ( -2.723 0.000 1.018) 2.907 11.540 ( -1.386 0.000 -3.742) 3.990 11.562 ( 0.841 0.000 1.744) 1.936 11.743 ( 0.766 0.000 1.998) 2.140 11.972 ( -4.443 0.000 -0.535) 4.475 11.982 ( -1.780 0.000 -2.358) 2.954 12.077 ( -1.248 0.000 0.247) 1.272 12.274 ( -0.932 0.000 -2.616) 2.777 12.329 ( -0.872 0.000 -0.049) 0.874 12.374 ( -0.466 0.000 0.239) 0.523 12.669 ( 4.319 0.000 4.070) 5.934 12.743 ( 3.186 0.000 0.012) 3.186 12.799 ( 2.487 0.000 1.258) 2.787 12.844 ( -4.579 0.000 -2.770) 5.352 13.067 ( 0.728 0.000 0.571) 0.925 13.102 ( 2.931 0.000 1.433) 3.262 13.243 ( -1.503 0.000 -2.283) 2.733 13.250 ( -0.420 0.000 0.108) 0.434 14.534 ( -2.531 0.000 -1.286) 2.839 14.548 ( 1.241 0.000 3.167) 3.402 15.278 ( -1.621 0.000 -3.604) 3.951 15.456 ( -0.172 0.000 0.406) 0.441 15.803 ( 9.801 0.000 4.899) 10.957 15.937 ( 6.350 0.000 -1.164) 6.456 15.974 ( -2.477 0.000 -2.824) 3.756 16.067 ( 0.759 0.000 2.853) 2.952 16.752 ( -0.414 0.000 -3.836) 3.858 16.796 ( 5.606 0.000 2.933) 6.327 16.855 ( 3.001 0.000 -1.081) 3.190 16.914 ( -0.486 0.000 3.974) 4.003 16.973 ( 0.799 0.000 -0.633) 1.020 17.023 ( -0.038 0.000 -5.098) 5.098 17.039 ( -6.706 0.000 1.560) 6.886 17.488 ( -7.988 0.000 -5.263) 9.566 17.974 ( 1.122 0.000 -1.028) 1.522 18.065 ( 0.977 0.000 -0.281) 1.016 18.207 ( 1.534 0.000 -1.228) 1.965 18.246 ( 0.338 0.000 0.367) 0.500 18.321 ( -1.765 0.000 0.507) 1.836 18.329 ( -0.390 0.000 -0.280) 0.480 18.462 ( -2.044 0.000 -0.208) 2.055 18.492 ( 0.840 0.000 2.920) 3.038 18.751 ( 0.609 0.000 -0.417) 0.738 18.765 ( 3.022 0.000 1.965) 3.605 18.835 ( -1.068 0.000 -0.192) 1.085 18.930 ( -0.457 0.000 -1.601) 1.665 19.000 ( 0.502 0.000 -1.331) 1.422 19.164 ( 1.434 0.000 -0.515) 1.524 19.867 ( -3.801 0.000 3.464) 5.143 19.893 ( -5.316 0.000 3.581) 6.410 ======================= Grid point 7 (5/54) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.356 ( 0.000 15.863 0.000) 15.863 0.423 ( 0.000 18.595 0.000) 18.595 0.574 ( 0.000 23.333 0.000) 23.333 0.997 ( 0.000 -11.665 0.000) 11.665 1.011 ( 0.000 -7.007 0.000) 7.007 1.158 ( 0.000 -0.336 0.000) 0.336 1.171 ( 0.000 -0.012 0.000) 0.012 1.191 ( 0.000 -3.110 0.000) 3.110 1.257 ( 0.000 -2.796 0.000) 2.796 1.272 ( 0.000 -0.980 0.000) 0.980 1.336 ( 0.000 2.878 0.000) 2.878 1.420 ( 0.000 -0.753 0.000) 0.753 1.430 ( 0.000 0.457 0.000) 0.457 1.538 ( 0.000 3.281 0.000) 3.281 1.558 ( 0.000 -0.564 0.000) 0.564 1.597 ( 0.000 -3.216 0.000) 3.216 1.597 ( 0.000 -1.293 0.000) 1.293 1.653 ( 0.000 -1.861 0.000) 1.861 1.655 ( 0.000 -1.558 0.000) 1.558 1.762 ( 0.000 -0.276 0.000) 0.276 1.814 ( 0.000 0.895 0.000) 0.895 1.957 ( 0.000 2.610 0.000) 2.610 1.987 ( 0.000 0.716 0.000) 0.716 2.011 ( 0.000 -1.684 0.000) 1.684 2.015 ( 0.000 1.850 0.000) 1.850 2.165 ( 0.000 -2.578 0.000) 2.578 2.181 ( 0.000 2.810 0.000) 2.810 2.290 ( 0.000 4.273 0.000) 4.273 2.315 ( 0.000 2.695 0.000) 2.695 2.329 ( 0.000 3.654 0.000) 3.654 2.354 ( 0.000 -3.332 0.000) 3.332 2.462 ( 0.000 2.125 0.000) 2.125 2.484 ( 0.000 2.501 0.000) 2.501 2.540 ( 0.000 -1.879 0.000) 1.879 2.543 ( 0.000 0.317 0.000) 0.317 2.638 ( 0.000 -1.623 0.000) 1.623 2.770 ( 0.000 3.301 0.000) 3.301 2.794 ( 0.000 -5.781 0.000) 5.781 2.856 ( 0.000 -5.126 0.000) 5.126 2.915 ( 0.000 -2.646 0.000) 2.646 2.939 ( 0.000 0.230 0.000) 0.230 2.957 ( 0.000 -2.313 0.000) 2.313 3.102 ( 0.000 -0.592 0.000) 0.592 3.109 ( 0.000 -3.820 0.000) 3.820 3.187 ( 0.000 5.410 0.000) 5.410 3.212 ( 0.000 -1.226 0.000) 1.226 3.266 ( 0.000 -1.593 0.000) 1.593 3.481 ( 0.000 -0.686 0.000) 0.686 3.553 ( 0.000 -0.679 0.000) 0.679 3.623 ( 0.000 -3.469 0.000) 3.469 3.643 ( 0.000 1.806 0.000) 1.806 3.690 ( 0.000 -0.206 0.000) 0.206 3.740 ( 0.000 1.732 0.000) 1.732 3.750 ( 0.000 1.704 0.000) 1.704 3.783 ( 0.000 0.740 0.000) 0.740 3.902 ( 0.000 -4.757 0.000) 4.757 3.909 ( 0.000 1.970 0.000) 1.970 3.998 ( 0.000 -6.650 0.000) 6.650 4.122 ( 0.000 1.298 0.000) 1.298 4.151 ( 0.000 -0.605 0.000) 0.605 4.217 ( 0.000 3.627 0.000) 3.627 4.229 ( 0.000 -0.553 0.000) 0.553 4.290 ( 0.000 1.661 0.000) 1.661 4.433 ( 0.000 -1.529 0.000) 1.529 4.493 ( 0.000 1.274 0.000) 1.274 4.564 ( 0.000 -1.162 0.000) 1.162 4.625 ( 0.000 0.850 0.000) 0.850 4.680 ( 0.000 -3.026 0.000) 3.026 4.711 ( 0.000 -1.695 0.000) 1.695 4.716 ( 0.000 -1.413 0.000) 1.413 4.890 ( 0.000 -3.630 0.000) 3.630 5.002 ( 0.000 -5.093 0.000) 5.093 5.034 ( 0.000 0.815 0.000) 0.815 5.065 ( 0.000 0.136 0.000) 0.136 5.122 ( 0.000 0.779 0.000) 0.779 5.156 ( 0.000 6.820 0.000) 6.820 5.244 ( 0.000 2.522 0.000) 2.522 5.310 ( 0.000 4.176 0.000) 4.176 5.471 ( 0.000 -2.787 0.000) 2.787 5.482 ( 0.000 0.304 0.000) 0.304 5.515 ( 0.000 -0.493 0.000) 0.493 5.652 ( 0.000 -3.360 0.000) 3.360 5.714 ( 0.000 4.061 0.000) 4.061 5.827 ( 0.000 1.634 0.000) 1.634 5.906 ( 0.000 -1.022 0.000) 1.022 5.927 ( 0.000 -6.724 0.000) 6.724 5.943 ( 0.000 -2.383 0.000) 2.383 6.022 ( 0.000 -1.732 0.000) 1.732 6.137 ( 0.000 -2.757 0.000) 2.757 6.165 ( 0.000 1.696 0.000) 1.696 6.253 ( 0.000 2.572 0.000) 2.572 6.285 ( 0.000 1.495 0.000) 1.495 6.429 ( 0.000 0.541 0.000) 0.541 6.474 ( 0.000 1.370 0.000) 1.370 6.583 ( 0.000 6.042 0.000) 6.042 6.665 ( 0.000 -3.606 0.000) 3.606 6.733 ( 0.000 -2.213 0.000) 2.213 6.741 ( 0.000 1.342 0.000) 1.342 6.825 ( 0.000 3.747 0.000) 3.747 6.908 ( 0.000 2.735 0.000) 2.735 6.941 ( 0.000 -1.943 0.000) 1.943 7.029 ( 0.000 1.876 0.000) 1.876 7.148 ( 0.000 -0.521 0.000) 0.521 7.197 ( 0.000 4.744 0.000) 4.744 7.207 ( 0.000 -3.204 0.000) 3.204 7.235 ( 0.000 -0.624 0.000) 0.624 7.343 ( 0.000 -0.412 0.000) 0.412 7.376 ( 0.000 4.646 0.000) 4.646 7.534 ( 0.000 -6.659 0.000) 6.659 7.541 ( 0.000 2.795 0.000) 2.795 7.560 ( 0.000 4.531 0.000) 4.531 7.681 ( 0.000 -1.684 0.000) 1.684 7.910 ( 0.000 2.652 0.000) 2.652 7.928 ( 0.000 -3.440 0.000) 3.440 8.042 ( 0.000 3.587 0.000) 3.587 8.123 ( 0.000 3.112 0.000) 3.112 8.150 ( 0.000 -5.984 0.000) 5.984 8.327 ( 0.000 -1.862 0.000) 1.862 8.341 ( 0.000 -0.964 0.000) 0.964 8.447 ( 0.000 -1.303 0.000) 1.303 8.490 ( 0.000 -4.254 0.000) 4.254 8.499 ( 0.000 -6.266 0.000) 6.266 8.735 ( 0.000 -0.156 0.000) 0.156 8.780 ( 0.000 -3.608 0.000) 3.608 8.890 ( 0.000 -0.902 0.000) 0.902 8.892 ( 0.000 6.920 0.000) 6.920 8.972 ( 0.000 -1.390 0.000) 1.390 9.075 ( 0.000 2.387 0.000) 2.387 9.129 ( 0.000 -5.964 0.000) 5.964 9.311 ( 0.000 0.740 0.000) 0.740 9.441 ( 0.000 -2.249 0.000) 2.249 9.469 ( 0.000 3.407 0.000) 3.407 9.585 ( 0.000 2.802 0.000) 2.802 9.710 ( 0.000 -0.680 0.000) 0.680 9.749 ( 0.000 -6.167 0.000) 6.167 9.852 ( 0.000 1.464 0.000) 1.464 10.019 ( 0.000 -1.819 0.000) 1.819 10.021 ( 0.000 -0.069 0.000) 0.069 10.078 ( 0.000 -7.231 0.000) 7.231 10.157 ( 0.000 3.488 0.000) 3.488 10.191 ( 0.000 1.892 0.000) 1.892 10.268 ( 0.000 0.629 0.000) 0.629 10.384 ( 0.000 4.240 0.000) 4.240 10.495 ( 0.000 3.303 0.000) 3.303 10.503 ( 0.000 1.257 0.000) 1.257 10.647 ( 0.000 3.617 0.000) 3.617 10.731 ( 0.000 6.848 0.000) 6.848 10.866 ( 0.000 -1.753 0.000) 1.753 10.969 ( 0.000 1.820 0.000) 1.820 11.004 ( 0.000 0.057 0.000) 0.057 11.068 ( 0.000 -1.941 0.000) 1.941 11.177 ( 0.000 -3.574 0.000) 3.574 11.258 ( 0.000 2.203 0.000) 2.203 11.355 ( 0.000 0.373 0.000) 0.373 11.437 ( 0.000 0.700 0.000) 0.700 11.451 ( 0.000 -0.404 0.000) 0.404 11.714 ( 0.000 5.316 0.000) 5.316 11.899 ( 0.000 3.105 0.000) 3.105 12.170 ( 0.000 -6.676 0.000) 6.676 12.201 ( 0.000 2.576 0.000) 2.576 12.247 ( 0.000 2.319 0.000) 2.319 12.300 ( 0.000 -2.088 0.000) 2.088 12.357 ( 0.000 -1.795 0.000) 1.795 12.399 ( 0.000 -1.486 0.000) 1.486 12.454 ( 0.000 0.783 0.000) 0.783 12.499 ( 0.000 3.161 0.000) 3.161 12.545 ( 0.000 0.088 0.000) 0.088 12.812 ( 0.000 -4.872 0.000) 4.872 12.885 ( 0.000 0.421 0.000) 0.421 13.069 ( 0.000 -5.058 0.000) 5.058 13.176 ( 0.000 2.206 0.000) 2.206 13.272 ( 0.000 1.756 0.000) 1.756 14.485 ( 0.000 4.655 0.000) 4.655 14.813 ( 0.000 -3.327 0.000) 3.327 15.292 ( 0.000 -0.277 0.000) 0.277 15.299 ( 0.000 -0.136 0.000) 0.136 15.740 ( 0.000 0.468 0.000) 0.468 15.769 ( 0.000 -0.384 0.000) 0.384 15.886 ( 0.000 -0.316 0.000) 0.316 15.897 ( 0.000 -0.230 0.000) 0.230 16.519 ( 0.000 -0.224 0.000) 0.224 16.626 ( 0.000 -1.755 0.000) 1.755 16.832 ( 0.000 0.621 0.000) 0.621 16.856 ( 0.000 0.183 0.000) 0.183 17.079 ( 0.000 1.713 0.000) 1.713 17.127 ( 0.000 1.182 0.000) 1.182 17.271 ( 0.000 7.615 0.000) 7.615 17.950 ( 0.000 -7.128 0.000) 7.128 18.038 ( 0.000 0.108 0.000) 0.108 18.104 ( 0.000 -0.733 0.000) 0.733 18.130 ( 0.000 2.768 0.000) 2.768 18.195 ( 0.000 1.858 0.000) 1.858 18.281 ( 0.000 -0.589 0.000) 0.589 18.371 ( 0.000 3.647 0.000) 3.647 18.380 ( 0.000 1.376 0.000) 1.376 18.420 ( 0.000 3.321 0.000) 3.321 18.545 ( 0.000 -5.697 0.000) 5.697 18.806 ( 0.000 0.209 0.000) 0.209 18.864 ( 0.000 -7.389 0.000) 7.389 18.885 ( 0.000 -2.283 0.000) 2.283 19.056 ( 0.000 0.502 0.000) 0.502 19.276 ( 0.000 -5.101 0.000) 5.101 19.630 ( 0.000 13.442 0.000) 13.442 20.441 ( 0.000 -7.415 0.000) 7.415 ======================= Grid point 8 (6/54) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 6.154 10.792 5.393) 13.544 0.513 ( 7.113 11.456 6.519) 14.978 0.818 ( 14.304 10.080 6.303) 18.599 0.924 ( -2.714 -7.185 -0.801) 7.723 1.104 ( 3.977 -6.308 2.064) 7.737 1.154 ( -3.500 -1.649 1.611) 4.191 1.172 ( 2.267 1.039 -0.251) 2.506 1.196 ( 0.676 -2.410 -0.220) 2.513 1.268 ( -0.286 -1.757 2.555) 3.114 1.294 ( 1.219 -1.550 1.374) 2.404 1.337 ( 2.425 1.364 -0.776) 2.888 1.370 ( -4.220 1.207 -0.478) 4.415 1.435 ( 2.466 -2.826 -2.209) 4.353 1.500 ( -3.731 -0.500 -1.763) 4.157 1.566 ( -1.514 1.195 2.010) 2.786 1.599 ( 0.021 0.485 0.648) 0.810 1.602 ( -0.868 -1.304 1.865) 2.436 1.627 ( -2.760 0.604 1.265) 3.096 1.677 ( 2.008 -2.074 -0.262) 2.899 1.771 ( -3.122 -0.087 2.152) 3.793 1.782 ( -0.530 -0.042 1.025) 1.155 1.958 ( -1.161 1.973 -1.876) 2.959 1.975 ( 1.378 4.995 0.200) 5.186 2.008 ( 0.279 -2.251 -1.278) 2.603 2.048 ( 4.058 -1.232 0.120) 4.243 2.172 ( 4.051 -0.391 -4.309) 5.928 2.205 ( -2.623 0.541 -0.881) 2.819 2.226 ( 0.354 2.700 -3.770) 4.651 2.285 ( -1.453 4.948 0.217) 5.162 2.370 ( -2.041 0.634 6.595) 6.933 2.390 ( 0.298 0.911 -1.868) 2.099 2.413 ( 0.091 -2.598 -1.148) 2.842 2.487 ( -3.362 -0.148 1.702) 3.771 2.520 ( 1.382 3.268 2.577) 4.385 2.569 ( 3.097 -0.073 -1.834) 3.600 2.710 ( 4.251 -1.207 0.354) 4.433 2.743 ( -0.315 -0.504 -2.392) 2.465 2.797 ( -0.259 -3.612 0.938) 3.741 2.866 ( -0.472 -0.209 1.203) 1.309 2.887 ( 1.047 1.186 -0.525) 1.667 2.955 ( -0.851 -2.250 2.225) 3.276 2.999 ( 6.277 -1.780 -1.530) 6.701 3.067 ( -0.235 -2.731 0.920) 2.891 3.122 ( -1.618 -3.198 -2.006) 4.107 3.215 ( 2.317 1.589 2.560) 3.801 3.296 ( -0.336 -2.387 2.063) 3.173 3.334 ( 5.449 -3.642 3.100) 7.251 3.445 ( -3.823 0.081 -0.917) 3.932 3.519 ( -1.796 -2.475 -0.454) 3.091 3.586 ( -2.095 0.685 -3.498) 4.134 3.619 ( -3.302 -1.008 0.723) 3.528 3.693 ( 0.050 2.052 -3.667) 4.202 3.722 ( 2.046 0.540 -1.507) 2.598 3.748 ( -0.450 2.598 2.108) 3.375 3.805 ( 1.159 0.560 0.921) 1.583 3.851 ( 1.227 -0.116 -3.472) 3.684 3.930 ( -0.730 -5.123 1.414) 5.365 4.013 ( 0.891 -3.809 1.521) 4.197 4.079 ( -3.282 -2.404 -0.087) 4.069 4.112 ( -4.823 -0.520 -2.081) 5.279 4.242 ( 1.081 4.365 0.497) 4.525 4.289 ( 2.324 1.487 0.597) 2.823 4.317 ( 3.010 -0.904 5.132) 6.018 4.411 ( -1.654 -1.642 -2.651) 3.530 4.453 ( 1.251 3.381 -3.659) 5.136 4.550 ( -0.912 -3.233 0.606) 3.414 4.612 ( -0.829 -1.034 -3.634) 3.868 4.650 ( -1.620 -0.666 0.647) 1.867 4.730 ( 0.847 -2.272 0.854) 2.571 4.751 ( -0.072 -0.097 0.165) 0.204 4.915 ( 0.255 -0.847 0.514) 1.023 4.967 ( -4.093 -0.193 -0.049) 4.098 5.080 ( 1.819 -2.032 2.149) 3.472 5.085 ( -1.828 -0.456 7.055) 7.302 5.116 ( -2.432 3.819 -0.869) 4.610 5.138 ( -1.976 -0.111 4.933) 5.315 5.272 ( 0.177 2.171 0.945) 2.374 5.327 ( 3.625 1.841 -1.287) 4.264 5.456 ( -0.658 -0.566 1.091) 1.394 5.495 ( 2.034 -3.661 -1.765) 4.545 5.539 ( -0.015 0.374 1.066) 1.130 5.630 ( -4.446 -1.121 0.727) 4.642 5.696 ( -1.024 1.959 -0.858) 2.371 5.742 ( -3.756 1.128 0.100) 3.923 5.867 ( -3.240 -3.215 -3.158) 5.550 5.889 ( -0.983 1.965 -1.719) 2.789 5.970 ( 5.687 2.159 -3.577) 7.057 6.005 ( -3.999 -2.510 1.752) 5.036 6.127 ( -0.380 -0.346 -2.049) 2.113 6.148 ( 0.540 0.027 -1.286) 1.395 6.258 ( -0.401 1.306 1.884) 2.327 6.318 ( 1.031 -0.044 1.345) 1.695 6.402 ( 0.303 1.660 -3.287) 3.694 6.471 ( -3.324 0.064 2.231) 4.004 6.538 ( -1.711 8.378 -1.409) 8.666 6.666 ( 0.730 -4.066 -0.410) 4.152 6.705 ( -0.580 -2.156 -0.036) 2.233 6.732 ( -1.021 -2.714 -4.080) 5.005 6.817 ( -0.359 2.796 0.030) 2.820 6.849 ( -0.949 1.376 -2.527) 3.030 6.996 ( -0.513 -0.386 0.083) 0.647 7.019 ( 0.341 1.426 -2.545) 2.937 7.070 ( -6.316 2.914 -5.811) 9.064 7.148 ( 5.363 3.285 -1.774) 6.534 7.225 ( -0.500 1.397 1.912) 2.420 7.248 ( 3.753 -1.845 -1.307) 4.381 7.269 ( 0.044 -0.666 -0.343) 0.750 7.396 ( 0.906 -0.511 -1.812) 2.089 7.509 ( 1.776 2.690 -3.765) 4.957 7.577 ( 3.181 6.267 -1.248) 7.138 7.649 ( -1.998 -2.235 0.617) 3.061 7.711 ( 4.350 -4.771 5.423) 8.432 7.891 ( -1.621 -2.015 -1.969) 3.250 7.969 ( 0.601 2.967 4.019) 5.031 8.010 ( -4.034 -0.442 -0.922) 4.162 8.113 ( -2.447 0.378 1.930) 3.139 8.152 ( 0.939 1.791 2.796) 3.450 8.250 ( -8.811 1.126 3.049) 9.391 8.394 ( 1.847 -4.269 -0.741) 4.710 8.441 ( 0.184 -3.238 -1.047) 3.408 8.484 ( -1.865 -0.973 3.425) 4.019 8.539 ( 8.272 -2.893 -1.215) 8.847 8.698 ( -6.867 -4.621 -1.076) 8.347 8.761 ( -0.231 0.038 3.157) 3.166 8.862 ( 1.157 6.920 -0.477) 7.032 8.892 ( 0.063 0.132 -0.699) 0.714 9.009 ( -0.599 -7.225 1.393) 7.382 9.121 ( 5.815 1.116 0.520) 5.944 9.166 ( -0.303 -5.283 2.865) 6.018 9.295 ( -1.144 0.127 -0.706) 1.351 9.390 ( -2.889 -0.584 -2.037) 3.583 9.540 ( 4.482 2.370 0.711) 5.120 9.601 ( 0.529 1.581 1.422) 2.191 9.654 ( -0.466 1.882 -0.047) 1.939 9.824 ( 2.707 -3.288 -1.697) 4.584 9.859 ( 0.120 -0.100 0.350) 0.383 9.935 ( -6.383 -2.815 -0.587) 7.001 9.998 ( -6.111 6.478 -1.109) 8.974 10.032 ( -1.415 -0.667 1.344) 2.063 10.093 ( 1.996 -3.991 -1.891) 4.846 10.232 ( -1.723 1.665 2.194) 3.249 10.295 ( 1.950 -4.290 1.569) 4.967 10.419 ( 2.138 1.931 -0.960) 3.036 10.456 ( -1.628 2.334 -2.578) 3.840 10.534 ( 5.927 1.371 -3.887) 7.219 10.634 ( 0.191 3.438 -1.585) 3.790 10.744 ( 3.465 5.783 -0.486) 6.759 10.853 ( -1.476 0.821 -4.566) 4.869 10.922 ( 2.821 0.243 0.209) 2.839 11.028 ( -5.132 -1.456 0.458) 5.355 11.080 ( 2.622 0.690 0.654) 2.789 11.143 ( 3.176 1.059 -5.579) 6.506 11.286 ( 0.533 1.200 1.716) 2.161 11.309 ( 0.100 3.762 -0.517) 3.799 11.433 ( 0.515 2.149 3.536) 4.170 11.456 ( -1.250 2.008 1.759) 2.948 11.720 ( -2.304 3.832 1.705) 4.785 11.852 ( -3.538 2.711 -2.629) 5.175 12.086 ( -5.833 -4.870 0.823) 7.643 12.206 ( -0.855 1.474 -3.928) 4.282 12.238 ( -5.883 -0.688 -1.037) 6.013 12.303 ( -0.519 -2.985 2.879) 4.179 12.387 ( 5.479 -1.077 -3.513) 6.597 12.395 ( -1.971 -0.448 1.384) 2.450 12.486 ( 1.956 0.788 2.255) 3.088 12.549 ( 2.778 -0.421 0.741) 2.906 12.601 ( 6.106 -0.103 1.206) 6.225 12.832 ( 3.077 -3.246 0.599) 4.512 12.955 ( 3.209 -2.618 1.694) 4.475 13.057 ( -1.006 -4.585 0.979) 4.795 13.177 ( 2.378 2.009 -1.575) 3.489 13.293 ( 1.385 1.456 0.163) 2.016 14.485 ( -1.565 4.808 2.313) 5.560 14.774 ( -5.686 -1.402 -0.590) 5.886 15.309 ( 5.033 1.342 0.625) 5.246 15.368 ( 7.890 -1.156 -2.943) 8.500 15.665 ( -3.553 6.783 -4.769) 9.021 15.744 ( 4.011 1.400 -2.901) 5.144 15.880 ( 2.617 0.747 3.003) 4.053 15.933 ( 3.454 0.279 -0.387) 3.487 16.558 ( 5.368 -0.123 0.443) 5.388 16.758 ( 11.197 -9.345 -5.304) 15.519 16.834 ( 1.648 0.884 -1.121) 2.181 16.885 ( 3.367 -0.798 -1.213) 3.666 17.052 ( -1.546 1.107 -1.324) 2.317 17.077 ( -6.328 0.928 1.525) 6.575 17.261 ( -3.979 5.723 1.537) 7.138 17.940 ( -7.430 -7.483 0.077) 10.545 18.053 ( -2.032 1.004 -3.304) 4.007 18.094 ( 2.596 -1.035 2.990) 4.092 18.118 ( -0.476 1.948 -1.091) 2.282 18.197 ( -1.350 0.579 2.699) 3.073 18.301 ( 4.263 1.607 -5.510) 7.150 18.311 ( -0.416 -0.553 1.626) 1.767 18.415 ( 0.021 2.336 0.556) 2.401 18.457 ( 2.459 3.973 2.934) 5.518 18.552 ( 1.457 -4.873 1.643) 5.345 18.775 ( -0.262 -0.875 -2.733) 2.881 18.830 ( -1.021 -7.063 -2.585) 7.590 18.923 ( 1.531 -1.177 1.870) 2.688 19.083 ( 3.901 -3.391 -3.649) 6.327 19.209 ( -0.097 -2.623 -7.125) 7.593 19.716 ( -5.341 6.974 14.461) 16.920 20.234 ( -21.698 3.819 5.295) 22.658 ======================= Grid point 9 (7/54) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 8.460 4.360 4.002) 10.325 0.726 ( 7.121 0.436 5.722) 9.146 0.915 ( 0.547 -2.154 1.902) 2.925 1.002 ( 4.223 -0.007 1.522) 4.489 1.092 ( -3.739 2.340 -0.972) 4.517 1.146 ( -1.853 -3.213 0.568) 3.752 1.162 ( -2.180 -0.917 -1.624) 2.869 1.226 ( 1.457 -2.289 -1.652) 3.177 1.277 ( 0.970 -0.203 -2.296) 2.501 1.304 ( -1.269 -1.583 -0.938) 2.235 1.358 ( 0.697 -1.832 3.894) 4.360 1.422 ( -1.761 -0.118 -1.234) 2.153 1.447 ( 2.034 -3.196 1.908) 4.242 1.458 ( 5.743 1.238 2.906) 6.554 1.560 ( -2.385 -0.334 1.058) 2.630 1.587 ( -2.286 -0.985 0.538) 2.547 1.625 ( 0.232 -0.824 2.014) 2.188 1.635 ( 0.488 -1.240 2.441) 2.781 1.703 ( 1.932 0.370 0.216) 1.979 1.777 ( 0.833 3.640 3.732) 5.279 1.807 ( -1.886 -4.022 1.623) 4.730 1.945 ( 0.993 3.368 0.750) 3.590 1.980 ( 1.634 1.898 -1.446) 2.892 2.013 ( 2.050 0.748 -0.830) 2.335 2.066 ( -0.103 1.791 -5.127) 5.432 2.096 ( -0.294 -0.235 -1.916) 1.952 2.190 ( -1.424 1.798 0.069) 2.294 2.219 ( 2.902 4.696 -4.302) 6.999 2.257 ( 0.479 0.850 0.715) 1.209 2.321 ( -3.795 -1.473 -1.654) 4.395 2.364 ( -1.969 -0.940 -0.803) 2.325 2.459 ( -0.071 1.917 4.096) 4.522 2.482 ( -0.700 1.278 -0.636) 1.590 2.576 ( 2.339 0.573 1.638) 2.913 2.604 ( 1.142 -0.815 1.944) 2.397 2.719 ( -1.388 1.091 0.976) 2.018 2.757 ( 0.867 -2.123 -0.137) 2.297 2.792 ( -0.942 -2.524 -0.700) 2.783 2.874 ( 1.474 -0.872 1.732) 2.435 2.921 ( 0.202 2.009 1.370) 2.440 3.006 ( -1.148 -2.620 -0.420) 2.891 3.034 ( 2.915 -3.311 -0.753) 4.475 3.110 ( 1.643 -1.398 1.390) 2.566 3.130 ( 10.117 -3.539 -2.399) 10.983 3.264 ( -2.814 -1.448 -0.941) 3.301 3.279 ( 0.513 2.343 3.895) 4.574 3.361 ( -4.824 -0.836 -0.827) 4.965 3.406 ( 1.036 -3.404 0.621) 3.613 3.493 ( -2.155 -3.337 -0.825) 4.057 3.520 ( 1.055 -0.950 -2.932) 3.258 3.576 ( -2.303 0.312 -1.025) 2.540 3.636 ( -0.248 2.043 -0.060) 2.059 3.752 ( -2.760 1.223 3.008) 4.262 3.776 ( 3.771 0.417 -0.801) 3.877 3.816 ( 2.555 -1.007 -1.896) 3.337 3.879 ( -5.833 -3.173 0.328) 6.648 3.907 ( 3.215 0.589 3.048) 4.469 4.008 ( -2.003 -1.229 0.406) 2.385 4.037 ( -1.730 -4.761 0.186) 5.069 4.101 ( 0.720 -2.292 1.785) 2.993 4.192 ( -1.204 2.966 -3.259) 4.568 4.274 ( -2.498 0.336 -4.225) 4.919 4.340 ( -3.371 0.075 -1.395) 3.649 4.446 ( 4.273 0.366 4.219) 6.015 4.481 ( 2.828 3.234 0.883) 4.386 4.510 ( -4.127 -0.240 -2.443) 4.802 4.581 ( 2.259 -3.123 -2.869) 4.805 4.620 ( -1.465 2.271 2.191) 3.479 4.727 ( -3.477 -0.937 1.736) 3.998 4.749 ( -0.426 0.770 0.248) 0.915 4.868 ( -2.121 4.167 -0.678) 4.725 4.931 ( -2.798 -1.715 1.230) 3.504 5.072 ( 0.402 -1.457 -2.146) 2.625 5.095 ( -2.457 0.420 -1.786) 3.066 5.154 ( 3.839 0.857 1.635) 4.259 5.242 ( 1.085 -1.212 6.967) 7.154 5.305 ( 3.406 1.449 2.436) 4.431 5.361 ( 2.882 -0.112 -3.493) 4.530 5.409 ( -2.707 -1.011 -2.032) 3.533 5.489 ( -1.488 -4.213 -1.503) 4.714 5.546 ( -4.797 0.164 0.223) 4.805 5.581 ( 0.353 1.257 1.956) 2.352 5.641 ( -3.721 -0.296 0.557) 3.774 5.736 ( -1.023 -0.155 0.218) 1.057 5.787 ( -1.990 -0.028 -0.643) 2.092 5.888 ( 2.017 2.020 -0.462) 2.892 5.956 ( -3.265 -1.381 1.542) 3.866 6.004 ( 3.749 5.271 -2.488) 6.930 6.097 ( -1.113 0.384 -1.365) 1.802 6.131 ( 0.431 1.950 -0.440) 2.045 6.277 ( 0.138 -0.319 0.692) 0.774 6.312 ( -3.578 -0.213 -0.136) 3.587 6.386 ( 1.354 2.400 -0.846) 2.882 6.437 ( -1.364 -1.084 -0.082) 1.744 6.535 ( 0.992 2.820 -0.459) 3.024 6.629 ( -1.986 -4.935 -1.239) 5.462 6.683 ( -0.211 -5.474 -2.247) 5.921 6.710 ( 1.477 1.595 0.313) 2.196 6.791 ( 0.519 0.937 -2.800) 2.998 6.817 ( -1.080 1.158 -0.170) 1.592 6.942 ( -1.170 2.072 -4.433) 5.031 6.963 ( -2.176 0.032 -0.146) 2.181 6.988 ( -3.202 1.028 0.532) 3.405 7.196 ( -0.980 -3.154 -2.993) 4.457 7.213 ( 0.467 4.904 0.816) 4.993 7.259 ( 0.682 -0.812 -1.806) 2.094 7.294 ( 3.384 0.315 -0.392) 3.421 7.363 ( -1.289 -2.764 -2.233) 3.780 7.476 ( 1.856 2.475 -2.665) 4.083 7.600 ( 0.918 9.661 -1.975) 9.903 7.644 ( -1.986 -2.028 -0.519) 2.886 7.801 ( -1.868 0.073 2.916) 3.464 7.864 ( 6.859 -1.688 -0.313) 7.071 7.943 ( -3.589 -1.787 1.001) 4.132 7.998 ( -1.860 5.569 0.778) 5.923 8.128 ( -4.680 0.786 0.786) 4.810 8.175 ( -0.541 2.834 3.187) 4.299 8.244 ( 2.901 0.287 4.535) 5.391 8.364 ( -3.534 -6.305 1.375) 7.358 8.471 ( 0.375 -2.953 1.943) 3.555 8.531 ( 1.788 -1.952 3.109) 4.083 8.601 ( -3.878 -7.174 -0.528) 8.172 8.676 ( 3.618 -5.681 4.135) 7.903 8.778 ( -1.802 -3.855 -0.217) 4.261 8.860 ( 1.545 1.527 -0.088) 2.174 8.907 ( 2.086 1.843 0.306) 2.801 9.020 ( 1.946 -1.328 0.646) 2.443 9.168 ( 0.544 -2.174 -2.743) 3.542 9.236 ( 3.563 -4.429 2.219) 6.103 9.271 ( 0.358 -0.807 -1.137) 1.439 9.329 ( -0.406 2.938 -1.289) 3.234 9.610 ( 4.446 2.934 -0.664) 5.368 9.637 ( 1.051 1.830 1.582) 2.637 9.679 ( 0.188 3.325 3.404) 4.762 9.759 ( -3.426 -0.106 -4.679) 5.800 9.819 ( -2.104 -1.870 -1.541) 3.209 9.850 ( -3.409 -2.264 1.162) 4.254 9.971 ( -2.362 6.545 0.764) 7.000 10.075 ( 2.156 -1.368 3.355) 4.217 10.086 ( 1.201 -1.401 -3.684) 4.120 10.194 ( -2.104 -0.478 1.259) 2.498 10.321 ( -1.942 0.353 -3.867) 4.342 10.350 ( -4.675 -4.027 -1.187) 6.284 10.434 ( 0.415 -0.265 -1.600) 1.674 10.582 ( 6.663 -0.485 -3.272) 7.439 10.612 ( 0.820 2.606 -0.974) 2.900 10.801 ( 1.157 4.517 -1.284) 4.836 10.851 ( 6.650 2.995 -0.104) 7.294 10.905 ( -2.896 2.611 2.220) 4.487 11.028 ( 3.746 -1.088 -1.550) 4.198 11.115 ( 2.677 1.429 0.194) 3.040 11.143 ( 2.546 0.653 -1.507) 3.030 11.301 ( 0.293 0.774 0.304) 0.882 11.322 ( -0.436 2.540 0.376) 2.605 11.459 ( -0.229 1.614 1.419) 2.161 11.520 ( 1.681 1.542 4.287) 4.856 11.663 ( -7.004 1.395 -1.116) 7.229 11.765 ( -3.238 3.189 0.328) 4.557 12.021 ( -4.486 -3.079 1.028) 5.537 12.111 ( -6.480 -1.371 -1.718) 6.842 12.127 ( -1.914 3.125 -4.544) 5.837 12.308 ( -0.766 -1.465 -0.161) 1.661 12.371 ( -1.706 0.607 -1.086) 2.112 12.393 ( 0.583 -0.080 -0.981) 1.144 12.560 ( 2.631 0.905 3.656) 4.594 12.635 ( 7.106 -1.863 -0.769) 7.386 12.709 ( 4.481 0.044 2.896) 5.335 12.897 ( 1.025 -0.014 1.349) 1.694 12.986 ( 1.091 -4.356 0.139) 4.492 13.064 ( 1.269 -1.174 -0.453) 1.787 13.224 ( 2.659 0.122 1.731) 3.175 13.290 ( 0.286 -0.193 -2.480) 2.503 14.510 ( -0.880 3.542 3.583) 5.115 14.644 ( -6.977 0.473 -2.437) 7.405 15.369 ( 2.395 0.649 -3.640) 4.405 15.472 ( 5.318 1.335 2.495) 6.024 15.615 ( 4.168 3.903 -0.874) 5.777 15.819 ( 9.845 0.083 -2.430) 10.141 15.970 ( 3.187 -0.737 0.527) 3.314 15.987 ( 3.009 0.110 2.055) 3.645 16.669 ( 7.160 0.913 1.587) 7.391 16.785 ( 2.761 -3.255 -4.263) 6.033 16.848 ( 4.682 0.826 -5.149) 7.009 16.902 ( -1.051 -0.607 1.650) 2.048 17.008 ( -1.862 -0.893 -0.908) 2.256 17.019 ( -3.115 0.789 0.389) 3.237 17.210 ( -5.653 6.191 3.068) 8.928 17.718 ( -13.292 -5.043 -5.515) 15.249 17.998 ( 0.849 1.601 -3.063) 3.559 18.086 ( 1.219 2.180 -3.118) 3.995 18.165 ( 0.718 -3.026 1.715) 3.552 18.238 ( 1.176 -1.918 1.878) 2.931 18.278 ( 0.309 2.459 0.393) 2.509 18.359 ( -0.008 0.705 1.269) 1.452 18.433 ( 1.608 1.037 0.684) 2.032 18.514 ( -2.120 2.507 2.084) 3.888 18.599 ( 2.850 -4.966 1.198) 5.850 18.749 ( 1.327 -2.156 -3.488) 4.310 18.786 ( -1.442 -5.223 1.007) 5.511 18.943 ( 0.129 -2.343 -2.170) 3.196 19.068 ( 3.088 0.751 -3.300) 4.582 19.161 ( 3.943 -0.156 -2.960) 4.933 19.800 ( -8.616 0.618 12.040) 14.818 20.028 ( -15.711 2.548 4.961) 16.672 ======================= Grid point 10 (8/54) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 2.776 -0.159 -0.339) 2.801 0.872 ( 4.749 -1.793 3.835) 6.362 0.965 ( 1.072 1.633 1.458) 2.437 1.004 ( -4.205 -4.215 -2.541) 6.474 1.043 ( -0.419 0.723 0.751) 1.124 1.127 ( -1.675 0.554 2.006) 2.672 1.139 ( 0.872 -2.861 -0.794) 3.094 1.210 ( 0.012 1.794 -2.111) 2.770 1.222 ( 0.465 -0.967 -1.550) 1.885 1.316 ( 1.620 -0.730 -0.612) 1.880 1.377 ( -0.987 -0.272 0.000) 1.024 1.417 ( -0.254 -3.710 1.216) 3.912 1.461 ( -1.351 -0.754 1.740) 2.329 1.496 ( -1.980 -0.772 -0.991) 2.345 1.561 ( 0.125 1.565 1.898) 2.463 1.602 ( 0.790 -4.112 0.323) 4.200 1.662 ( 3.269 -1.177 -0.584) 3.523 1.681 ( -0.780 -2.437 3.578) 4.399 1.719 ( 0.216 -0.303 -0.939) 1.010 1.759 ( -1.810 -0.265 -1.200) 2.188 1.867 ( 2.155 -0.167 1.758) 2.786 1.991 ( 1.428 3.117 2.483) 4.233 2.015 ( 0.209 3.447 0.836) 3.553 2.026 ( 0.560 1.753 -1.144) 2.166 2.048 ( 3.740 2.712 1.052) 4.738 2.055 ( 1.736 1.375 -3.646) 4.266 2.154 ( -2.830 1.113 -0.441) 3.073 2.171 ( -3.305 2.275 -2.266) 4.608 2.246 ( 0.436 -1.866 -1.572) 2.479 2.298 ( -0.388 -2.027 0.893) 2.249 2.366 ( 1.690 1.296 0.201) 2.140 2.471 ( 1.218 1.275 -0.467) 1.824 2.483 ( 0.207 4.784 0.029) 4.788 2.624 ( -0.947 -2.437 2.993) 3.974 2.640 ( -0.548 -1.039 2.380) 2.654 2.698 ( 0.342 -0.378 -1.967) 2.032 2.725 ( -3.409 -0.410 -1.220) 3.644 2.790 ( 0.794 -0.952 1.673) 2.082 2.902 ( -2.961 -1.961 -0.524) 3.590 2.938 ( 0.684 3.361 0.771) 3.515 2.948 ( -0.033 -0.286 -0.902) 0.947 3.084 ( 2.496 -4.882 0.837) 5.546 3.147 ( 1.268 -0.135 0.102) 1.279 3.204 ( 2.033 -2.272 -0.687) 3.125 3.271 ( -3.704 -1.786 -0.257) 4.121 3.305 ( 7.640 -3.902 -0.851) 8.621 3.349 ( -0.037 0.396 3.718) 3.739 3.410 ( -3.622 -3.383 -0.783) 5.018 3.438 ( 0.743 -5.041 -0.830) 5.163 3.480 ( -1.714 0.925 -2.853) 3.454 3.569 ( 2.036 -1.977 0.812) 2.952 3.659 ( 1.005 1.402 0.149) 1.731 3.697 ( -4.642 -0.884 -0.426) 4.744 3.776 ( -2.059 -1.153 0.122) 2.363 3.837 ( 3.524 -0.752 -1.769) 4.014 3.906 ( 2.816 -0.228 4.990) 5.734 3.990 ( 1.419 -3.037 -0.725) 3.430 4.004 ( -2.602 -0.832 2.734) 3.865 4.026 ( 0.093 -2.496 1.537) 2.933 4.048 ( -1.359 -1.583 -3.471) 4.049 4.177 ( -2.623 5.166 -2.953) 6.503 4.208 ( 2.027 4.250 1.923) 5.086 4.274 ( -2.999 0.454 -1.104) 3.228 4.413 ( -2.846 0.207 -1.747) 3.346 4.470 ( 0.484 2.133 -2.076) 3.016 4.539 ( 0.724 0.098 1.696) 1.846 4.576 ( -1.321 4.003 0.691) 4.272 4.634 ( 0.804 -3.851 -0.566) 3.974 4.720 ( -0.023 -3.486 0.076) 3.487 4.799 ( 2.564 1.610 4.107) 5.102 4.854 ( -0.682 3.883 0.402) 3.963 4.920 ( -0.679 0.969 1.787) 2.144 4.989 ( -2.709 2.164 -4.610) 5.768 5.087 ( 3.435 -3.261 0.242) 4.742 5.201 ( -4.843 -2.198 -0.615) 5.353 5.268 ( 2.623 1.437 -2.941) 4.194 5.321 ( 0.473 0.461 -3.046) 3.116 5.368 ( 3.120 0.949 1.361) 3.534 5.381 ( -2.732 -1.287 0.894) 3.150 5.484 ( 2.640 -1.709 1.094) 3.330 5.534 ( -4.147 3.529 1.669) 5.695 5.548 ( 1.225 -1.765 1.189) 2.456 5.649 ( -2.721 -2.547 -0.359) 3.744 5.686 ( -1.633 -2.546 0.592) 3.082 5.760 ( -1.400 0.241 -0.669) 1.570 5.919 ( 0.538 3.327 1.464) 3.674 5.946 ( -0.398 1.961 -0.223) 2.013 6.042 ( 1.726 4.755 -0.558) 5.090 6.091 ( 4.777 0.558 0.861) 4.885 6.146 ( 0.679 6.422 0.048) 6.458 6.223 ( -6.366 1.047 -1.554) 6.636 6.281 ( 0.392 -2.986 -0.577) 3.066 6.400 ( 0.973 -0.858 -0.144) 1.306 6.418 ( -0.964 -4.602 -0.063) 4.702 6.532 ( -0.213 -0.956 -0.122) 0.988 6.629 ( -0.843 -2.912 2.954) 4.233 6.656 ( 1.863 -3.038 -3.160) 4.763 6.723 ( -0.625 -1.661 -0.625) 1.881 6.784 ( 2.792 1.247 -1.533) 3.421 6.805 ( 0.272 2.530 0.676) 2.633 6.868 ( -2.653 6.225 -2.128) 7.094 6.933 ( -0.966 0.177 -0.569) 1.135 6.979 ( -1.100 -1.598 2.332) 3.034 7.115 ( -2.158 -4.215 -2.549) 5.378 7.229 ( 0.399 3.927 0.364) 3.964 7.242 ( -0.908 1.075 0.041) 1.408 7.288 ( -1.117 -6.172 -0.685) 6.309 7.366 ( 3.095 1.933 -1.221) 3.848 7.476 ( 0.904 4.783 -0.898) 4.950 7.513 ( -3.594 3.271 -2.540) 5.483 7.628 ( 0.315 6.375 -0.178) 6.385 7.842 ( 2.624 1.553 0.942) 3.191 7.905 ( -3.613 -0.131 1.202) 3.810 7.947 ( -0.226 3.217 -0.920) 3.354 7.998 ( 5.284 3.789 -0.858) 6.559 8.052 ( -5.267 3.004 1.889) 6.351 8.263 ( 4.034 -3.437 2.336) 5.792 8.323 ( 2.345 -5.260 -0.910) 5.831 8.355 ( -3.033 -7.010 5.676) 9.516 8.478 ( -1.057 -3.816 -1.422) 4.208 8.556 ( -0.535 -1.768 -1.427) 2.334 8.578 ( -2.115 -5.477 2.387) 6.338 8.655 ( -3.095 -9.440 1.217) 10.008 8.802 ( 1.205 -5.950 -0.135) 6.072 8.919 ( 3.224 -7.144 1.476) 7.975 8.973 ( 3.381 4.896 2.074) 6.301 9.061 ( 0.658 4.646 -0.593) 4.730 9.113 ( -0.649 1.487 -3.159) 3.551 9.220 ( -1.808 -10.053 0.193) 10.216 9.313 ( 1.973 8.044 -1.210) 8.370 9.367 ( 4.055 1.541 2.175) 4.852 9.634 ( 0.810 0.618 -2.648) 2.838 9.653 ( -2.622 1.068 -0.734) 2.925 9.684 ( 0.953 2.218 1.320) 2.751 9.740 ( 1.144 1.570 0.811) 2.105 9.794 ( 1.099 -0.273 1.088) 1.570 9.823 ( -3.853 0.163 1.473) 4.129 9.966 ( -0.083 3.462 1.615) 3.821 10.032 ( -0.397 -4.889 -1.376) 5.095 10.142 ( 0.075 2.797 -2.025) 3.454 10.183 ( -3.191 -0.130 0.181) 3.199 10.210 ( 1.171 -0.991 -1.998) 2.519 10.269 ( -2.712 -2.082 -1.306) 3.660 10.421 ( -0.626 -2.192 -0.356) 2.307 10.604 ( 2.377 0.875 -1.980) 3.215 10.642 ( 1.932 1.141 -0.267) 2.259 10.800 ( 1.176 1.258 -1.079) 2.032 10.835 ( -2.966 7.962 0.997) 8.554 11.033 ( 1.305 2.823 -1.007) 3.269 11.043 ( 5.880 0.883 2.781) 6.564 11.163 ( 2.424 -3.430 -0.553) 4.237 11.182 ( 2.488 0.261 1.232) 2.789 11.286 ( -2.509 2.580 -1.390) 3.858 11.310 ( -0.714 0.371 0.899) 1.207 11.484 ( -0.438 2.223 1.779) 2.881 11.527 ( -3.960 0.615 -2.191) 4.567 11.587 ( 1.244 1.557 0.831) 2.159 11.759 ( -0.426 1.179 1.443) 1.912 11.969 ( -3.530 -0.324 0.206) 3.551 12.009 ( -2.127 -0.115 -1.535) 2.626 12.066 ( -0.592 1.457 -1.427) 2.124 12.280 ( -0.739 0.460 -1.442) 1.684 12.336 ( -0.662 0.737 -0.480) 1.101 12.392 ( -0.179 0.493 0.281) 0.595 12.666 ( 3.775 -0.263 3.390) 5.080 12.706 ( 2.697 -2.856 -0.203) 3.934 12.797 ( 1.814 -0.321 0.749) 1.989 12.852 ( -3.352 1.491 -1.250) 3.876 13.030 ( 1.606 -3.176 0.506) 3.594 13.091 ( 1.500 -1.337 0.801) 2.164 13.254 ( 0.634 0.853 -2.011) 2.274 13.263 ( -0.290 1.186 0.563) 1.344 14.525 ( -2.089 -0.243 -0.366) 2.134 14.555 ( -1.187 0.138 1.089) 1.617 15.331 ( -0.063 4.651 -2.410) 5.239 15.504 ( -0.493 3.752 0.226) 3.791 15.776 ( 8.205 -2.080 4.035) 9.377 15.911 ( 5.061 -2.453 -4.005) 6.905 15.979 ( -0.458 0.696 -0.009) 0.833 16.058 ( 0.923 -0.976 2.072) 2.469 16.747 ( 0.412 -0.021 -1.672) 1.722 16.798 ( 3.563 0.190 0.921) 3.685 16.856 ( 2.388 0.263 -1.158) 2.667 16.902 ( -0.721 -0.504 1.836) 2.036 16.955 ( -2.927 -1.912 -1.793) 3.929 17.013 ( 2.905 1.411 0.322) 3.246 17.171 ( -4.258 8.163 0.545) 9.223 17.474 ( -7.324 -1.353 -3.386) 8.182 17.984 ( 0.579 0.834 -0.919) 1.369 18.072 ( 1.015 1.316 -1.297) 2.109 18.186 ( 0.081 -4.733 0.720) 4.788 18.264 ( 1.952 -0.036 -0.301) 1.975 18.291 ( -1.689 1.771 1.232) 2.740 18.358 ( -0.459 2.767 -0.041) 2.805 18.436 ( -1.183 -0.957 -0.404) 1.574 18.517 ( 0.359 1.504 1.430) 2.106 18.651 ( 1.280 -5.004 0.581) 5.197 18.717 ( 0.553 -5.552 -1.652) 5.818 18.790 ( -0.891 -2.775 0.559) 2.968 18.898 ( -0.165 -3.310 -2.287) 4.026 19.116 ( 3.340 6.097 1.172) 7.050 19.196 ( 2.259 2.095 -0.845) 3.195 19.817 ( -3.969 -2.589 5.829) 7.512 19.885 ( -7.461 -1.196 0.041) 7.556 ======================= Grid point 14 (9/54) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 0.000 6.243 0.000) 6.243 0.728 ( 0.000 10.527 0.000) 10.527 0.787 ( 0.000 -11.794 0.000) 11.794 0.854 ( 0.000 1.087 0.000) 1.087 0.906 ( 0.000 7.105 0.000) 7.105 1.093 ( 0.000 -7.125 0.000) 7.125 1.174 ( 0.000 -0.479 0.000) 0.479 1.181 ( 0.000 -0.088 0.000) 0.088 1.219 ( 0.000 1.931 0.000) 1.931 1.248 ( 0.000 -0.868 0.000) 0.868 1.368 ( 0.000 -0.067 0.000) 0.067 1.387 ( 0.000 -2.061 0.000) 2.061 1.459 ( 0.000 2.403 0.000) 2.403 1.519 ( 0.000 -3.069 0.000) 3.069 1.555 ( 0.000 0.564 0.000) 0.564 1.590 ( 0.000 -1.164 0.000) 1.164 1.620 ( 0.000 1.274 0.000) 1.274 1.641 ( 0.000 -0.342 0.000) 0.342 1.665 ( 0.000 7.623 0.000) 7.623 1.757 ( 0.000 -0.747 0.000) 0.747 1.842 ( 0.000 2.720 0.000) 2.720 1.947 ( 0.000 -2.015 0.000) 2.015 1.982 ( 0.000 -0.934 0.000) 0.934 1.987 ( 0.000 -2.016 0.000) 2.016 2.050 ( 0.000 0.465 0.000) 0.465 2.099 ( 0.000 -3.486 0.000) 3.486 2.243 ( 0.000 2.266 0.000) 2.266 2.275 ( 0.000 -2.287 0.000) 2.287 2.356 ( 0.000 -0.082 0.000) 0.082 2.360 ( 0.000 -1.867 0.000) 1.867 2.406 ( 0.000 5.589 0.000) 5.589 2.469 ( 0.000 3.444 0.000) 3.444 2.494 ( 0.000 -1.283 0.000) 1.283 2.556 ( 0.000 -0.140 0.000) 0.140 2.576 ( 0.000 -1.976 0.000) 1.976 2.608 ( 0.000 2.359 0.000) 2.359 2.709 ( 0.000 -1.808 0.000) 1.808 2.714 ( 0.000 -4.656 0.000) 4.656 2.854 ( 0.000 4.201 0.000) 4.201 2.903 ( 0.000 0.146 0.000) 0.146 2.916 ( 0.000 -1.221 0.000) 1.221 2.926 ( 0.000 -2.055 0.000) 2.055 3.043 ( 0.000 -1.326 0.000) 1.326 3.065 ( 0.000 -2.531 0.000) 2.531 3.188 ( 0.000 -0.773 0.000) 0.773 3.194 ( 0.000 -1.459 0.000) 1.459 3.361 ( 0.000 7.738 0.000) 7.738 3.503 ( 0.000 2.364 0.000) 2.364 3.517 ( 0.000 -6.312 0.000) 6.312 3.550 ( 0.000 -0.654 0.000) 0.654 3.651 ( 0.000 -0.478 0.000) 0.478 3.668 ( 0.000 -1.649 0.000) 1.649 3.791 ( 0.000 1.873 0.000) 1.873 3.792 ( 0.000 2.237 0.000) 2.237 3.799 ( 0.000 0.839 0.000) 0.839 3.849 ( 0.000 -1.085 0.000) 1.085 3.859 ( 0.000 -3.958 0.000) 3.958 3.894 ( 0.000 -2.589 0.000) 2.589 4.144 ( 0.000 0.498 0.000) 0.498 4.155 ( 0.000 0.571 0.000) 0.571 4.232 ( 0.000 0.893 0.000) 0.893 4.253 ( 0.000 -0.529 0.000) 0.529 4.336 ( 0.000 2.957 0.000) 2.957 4.391 ( 0.000 -2.293 0.000) 2.293 4.514 ( 0.000 0.832 0.000) 0.832 4.537 ( 0.000 -1.283 0.000) 1.283 4.606 ( 0.000 -1.389 0.000) 1.389 4.613 ( 0.000 -2.358 0.000) 2.358 4.702 ( 0.000 1.321 0.000) 1.321 4.744 ( 0.000 0.239 0.000) 0.239 4.813 ( 0.000 -0.115 0.000) 0.115 4.895 ( 0.000 -5.014 0.000) 5.014 5.065 ( 0.000 1.398 0.000) 1.398 5.076 ( 0.000 0.271 0.000) 0.271 5.153 ( 0.000 2.790 0.000) 2.790 5.225 ( 0.000 -3.389 0.000) 3.389 5.311 ( 0.000 6.417 0.000) 6.417 5.410 ( 0.000 -3.331 0.000) 3.331 5.423 ( 0.000 6.073 0.000) 6.073 5.507 ( 0.000 2.146 0.000) 2.146 5.511 ( 0.000 -1.137 0.000) 1.137 5.570 ( 0.000 -3.791 0.000) 3.791 5.788 ( 0.000 -1.371 0.000) 1.371 5.805 ( 0.000 -2.792 0.000) 2.792 5.841 ( 0.000 3.545 0.000) 3.545 5.901 ( 0.000 0.583 0.000) 0.583 5.907 ( 0.000 -1.402 0.000) 1.402 5.953 ( 0.000 -4.145 0.000) 4.145 6.130 ( 0.000 1.272 0.000) 1.272 6.159 ( 0.000 -1.163 0.000) 1.163 6.318 ( 0.000 1.560 0.000) 1.560 6.323 ( 0.000 2.432 0.000) 2.432 6.411 ( 0.000 -1.559 0.000) 1.559 6.438 ( 0.000 -2.972 0.000) 2.972 6.631 ( 0.000 0.848 0.000) 0.848 6.656 ( 0.000 -0.798 0.000) 0.798 6.745 ( 0.000 2.681 0.000) 2.681 6.759 ( 0.000 0.333 0.000) 0.333 6.908 ( 0.000 3.863 0.000) 3.863 6.934 ( 0.000 1.127 0.000) 1.127 6.965 ( 0.000 1.090 0.000) 1.090 7.006 ( 0.000 -3.397 0.000) 3.397 7.123 ( 0.000 0.745 0.000) 0.745 7.181 ( 0.000 -3.267 0.000) 3.267 7.196 ( 0.000 2.489 0.000) 2.489 7.279 ( 0.000 -2.376 0.000) 2.376 7.395 ( 0.000 4.340 0.000) 4.340 7.442 ( 0.000 0.019 0.000) 0.019 7.512 ( 0.000 6.618 0.000) 6.618 7.536 ( 0.000 -0.637 0.000) 0.637 7.609 ( 0.000 -1.762 0.000) 1.762 7.728 ( 0.000 6.390 0.000) 6.390 7.793 ( 0.000 -7.523 0.000) 7.523 7.898 ( 0.000 -4.959 0.000) 4.959 8.109 ( 0.000 1.523 0.000) 1.523 8.142 ( 0.000 -1.701 0.000) 1.701 8.200 ( 0.000 11.409 0.000) 11.409 8.306 ( 0.000 -1.195 0.000) 1.195 8.310 ( 0.000 -2.338 0.000) 2.338 8.320 ( 0.000 0.593 0.000) 0.593 8.386 ( 0.000 -4.472 0.000) 4.472 8.495 ( 0.000 -9.432 0.000) 9.432 8.602 ( 0.000 -2.254 0.000) 2.254 8.671 ( 0.000 -4.394 0.000) 4.394 8.914 ( 0.000 3.517 0.000) 3.517 8.974 ( 0.000 -1.610 0.000) 1.610 9.023 ( 0.000 5.529 0.000) 5.529 9.086 ( 0.000 1.662 0.000) 1.662 9.144 ( 0.000 2.312 0.000) 2.312 9.233 ( 0.000 -7.082 0.000) 7.082 9.443 ( 0.000 1.946 0.000) 1.946 9.478 ( 0.000 -1.119 0.000) 1.119 9.655 ( 0.000 1.267 0.000) 1.267 9.684 ( 0.000 -1.597 0.000) 1.597 9.741 ( 0.000 5.651 0.000) 5.651 9.867 ( 0.000 -1.479 0.000) 1.479 9.913 ( 0.000 -3.781 0.000) 3.781 9.972 ( 0.000 -3.616 0.000) 3.616 10.073 ( 0.000 2.723 0.000) 2.723 10.120 ( 0.000 -2.561 0.000) 2.561 10.240 ( 0.000 1.651 0.000) 1.651 10.265 ( 0.000 -0.868 0.000) 0.868 10.494 ( 0.000 3.393 0.000) 3.393 10.511 ( 0.000 0.766 0.000) 0.766 10.618 ( 0.000 5.499 0.000) 5.499 10.690 ( 0.000 -0.591 0.000) 0.591 10.826 ( 0.000 1.842 0.000) 1.842 10.836 ( 0.000 -0.467 0.000) 0.467 11.002 ( 0.000 1.090 0.000) 1.090 11.006 ( 0.000 0.256 0.000) 0.256 11.051 ( 0.000 0.660 0.000) 0.660 11.099 ( 0.000 -3.462 0.000) 3.462 11.329 ( 0.000 4.006 0.000) 4.006 11.374 ( 0.000 0.976 0.000) 0.976 11.420 ( 0.000 -2.196 0.000) 2.196 11.425 ( 0.000 -1.458 0.000) 1.458 11.851 ( 0.000 7.166 0.000) 7.166 12.010 ( 0.000 -8.002 0.000) 8.002 12.014 ( 0.000 7.747 0.000) 7.747 12.189 ( 0.000 -7.892 0.000) 7.892 12.258 ( 0.000 2.835 0.000) 2.835 12.309 ( 0.000 3.009 0.000) 3.009 12.312 ( 0.000 -2.159 0.000) 2.159 12.365 ( 0.000 -2.267 0.000) 2.267 12.483 ( 0.000 1.995 0.000) 1.995 12.527 ( 0.000 -1.848 0.000) 1.848 12.600 ( 0.000 6.428 0.000) 6.428 12.729 ( 0.000 -4.479 0.000) 4.479 12.889 ( 0.000 0.100 0.000) 0.100 12.928 ( 0.000 -5.198 0.000) 5.198 13.240 ( 0.000 3.472 0.000) 3.472 13.293 ( 0.000 -0.880 0.000) 0.880 14.600 ( 0.000 5.875 0.000) 5.875 14.719 ( 0.000 -5.340 0.000) 5.340 15.289 ( 0.000 0.061 0.000) 0.061 15.293 ( 0.000 -0.320 0.000) 0.320 15.750 ( 0.000 0.422 0.000) 0.422 15.759 ( 0.000 -0.503 0.000) 0.503 15.885 ( 0.000 0.205 0.000) 0.205 15.891 ( 0.000 -0.344 0.000) 0.344 16.531 ( 0.000 1.555 0.000) 1.555 16.578 ( 0.000 -2.609 0.000) 2.609 16.846 ( 0.000 0.642 0.000) 0.642 16.856 ( 0.000 -0.231 0.000) 0.231 17.120 ( 0.000 1.802 0.000) 1.802 17.141 ( 0.000 -0.070 0.000) 0.070 17.485 ( 0.000 12.093 0.000) 12.093 17.744 ( 0.000 -11.891 0.000) 11.891 18.048 ( 0.000 0.933 0.000) 0.933 18.076 ( 0.000 -1.614 0.000) 1.614 18.209 ( 0.000 4.155 0.000) 4.155 18.252 ( 0.000 3.427 0.000) 3.427 18.269 ( 0.000 -1.264 0.000) 1.264 18.339 ( 0.000 -4.531 0.000) 4.531 18.431 ( 0.000 2.261 0.000) 2.261 18.473 ( 0.000 -1.739 0.000) 1.739 18.547 ( 0.000 7.802 0.000) 7.802 18.705 ( 0.000 -6.959 0.000) 6.959 18.800 ( 0.000 -0.653 0.000) 0.653 18.826 ( 0.000 -2.767 0.000) 2.767 19.086 ( 0.000 2.520 0.000) 2.520 19.164 ( 0.000 -4.904 0.000) 4.904 19.934 ( 0.000 14.820 0.000) 14.820 20.226 ( 0.000 -12.618 0.000) 12.618 ======================= Grid point 15 (10/54) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 0.683 6.697 2.438) 7.160 0.753 ( 0.889 7.768 1.906) 8.047 0.837 ( 2.985 -4.164 2.868) 5.872 0.890 ( 3.026 -3.640 1.728) 5.039 0.957 ( 3.330 2.864 4.700) 6.433 1.100 ( -1.370 -6.999 1.904) 7.382 1.164 ( -0.497 0.574 -0.392) 0.854 1.186 ( 1.778 -0.910 -2.898) 3.520 1.249 ( 0.691 0.454 1.143) 1.411 1.272 ( 2.305 -0.509 3.778) 4.454 1.350 ( -0.140 -0.255 -0.788) 0.840 1.366 ( 0.116 -2.539 -1.960) 3.210 1.426 ( -3.463 3.424 -1.191) 5.013 1.479 ( -3.643 -1.495 -1.763) 4.314 1.563 ( -1.036 0.266 0.594) 1.223 1.580 ( 0.092 -0.932 0.249) 0.969 1.611 ( -1.403 -0.319 1.614) 2.162 1.636 ( -0.003 -2.078 1.632) 2.642 1.695 ( -0.386 4.875 0.690) 4.938 1.748 ( -0.697 -1.054 -0.688) 1.438 1.850 ( -1.852 5.645 3.380) 6.835 1.950 ( 1.097 -2.470 -1.890) 3.298 1.977 ( 2.595 1.047 -1.985) 3.431 2.028 ( 2.892 -2.008 0.404) 3.543 2.072 ( 3.782 3.251 -1.339) 5.164 2.141 ( 4.747 -2.628 -2.782) 6.098 2.220 ( -2.809 1.634 -0.158) 3.254 2.281 ( -1.248 -0.312 1.498) 1.975 2.319 ( -1.493 -2.825 -0.055) 3.195 2.331 ( -1.473 -2.322 1.717) 3.242 2.408 ( -1.675 5.131 2.004) 5.757 2.453 ( -3.381 2.410 1.548) 4.431 2.517 ( 2.935 2.650 -3.075) 5.009 2.556 ( 0.058 -1.079 -1.889) 2.176 2.584 ( 3.274 1.296 -0.237) 3.529 2.647 ( 0.815 -4.781 4.241) 6.443 2.695 ( 1.681 -0.870 -2.058) 2.796 2.719 ( 2.568 -2.318 -1.166) 3.650 2.878 ( -2.127 0.456 -0.082) 2.177 2.899 ( -0.509 -1.847 1.073) 2.196 2.934 ( 3.928 2.802 1.633) 5.094 2.976 ( 4.797 -0.816 0.067) 4.867 3.016 ( 0.354 -1.203 -3.010) 3.261 3.050 ( 0.892 -3.255 -1.222) 3.590 3.227 ( 1.627 0.487 2.789) 3.265 3.250 ( 0.495 -1.875 2.927) 3.511 3.370 ( -1.484 4.536 1.296) 4.946 3.461 ( -3.093 -3.404 0.087) 4.600 3.503 ( -1.405 5.177 -0.479) 5.385 3.585 ( -3.899 -0.813 -3.122) 5.061 3.603 ( -3.058 -0.735 -0.605) 3.203 3.644 ( 5.196 -5.327 0.759) 7.480 3.755 ( -0.721 1.682 -1.942) 2.669 3.765 ( -2.637 0.320 -0.522) 2.708 3.815 ( -1.998 -0.275 -0.652) 2.120 3.839 ( -1.261 -3.238 0.144) 3.477 3.850 ( 2.612 1.532 1.280) 3.288 3.918 ( -0.036 -4.443 3.300) 5.535 4.087 ( -3.450 2.838 -1.646) 4.761 4.124 ( -4.600 0.033 -2.414) 5.195 4.279 ( 2.586 0.095 2.154) 3.367 4.297 ( 0.481 -0.743 0.652) 1.099 4.348 ( 4.341 3.025 1.105) 5.405 4.391 ( 1.636 -1.043 -1.983) 2.774 4.489 ( -2.497 -0.507 -0.308) 2.567 4.501 ( 0.891 -1.038 -0.454) 1.441 4.614 ( -0.111 2.617 -6.131) 6.667 4.642 ( -1.147 0.089 2.425) 2.684 4.670 ( -0.587 -2.362 4.546) 5.157 4.708 ( 0.321 -4.656 -3.658) 5.929 4.901 ( 2.618 2.915 5.348) 6.629 4.978 ( 2.854 -3.006 3.985) 5.750 5.067 ( -2.326 1.577 1.383) 3.132 5.082 ( -2.525 0.240 2.233) 3.379 5.152 ( -0.208 1.432 2.119) 2.566 5.175 ( -3.864 0.375 1.538) 4.175 5.317 ( -1.249 2.545 -0.425) 2.867 5.386 ( -1.142 -0.475 -0.383) 1.295 5.406 ( 0.302 0.092 -2.953) 2.970 5.456 ( -1.579 -1.191 -2.096) 2.882 5.560 ( 3.578 1.553 -0.553) 3.939 5.596 ( 2.231 -1.782 -0.650) 2.929 5.735 ( -5.287 0.401 2.285) 5.773 5.738 ( -4.762 -0.416 0.549) 4.811 5.831 ( -0.198 1.490 -3.019) 3.372 5.912 ( -0.031 -4.700 -1.249) 4.864 5.926 ( 0.131 1.940 0.048) 1.945 5.978 ( 3.360 -1.960 0.431) 3.913 6.125 ( -1.119 0.723 0.756) 1.532 6.144 ( -0.930 -0.864 -0.022) 1.270 6.324 ( 3.793 3.281 -2.901) 5.794 6.340 ( 0.673 2.723 -0.337) 2.825 6.394 ( 0.430 -2.084 -1.322) 2.505 6.433 ( -1.709 -3.452 1.234) 4.045 6.599 ( -2.641 -0.031 -1.399) 2.989 6.622 ( -2.549 -2.571 -2.307) 4.293 6.714 ( -0.779 4.637 -2.651) 5.398 6.748 ( -0.294 1.020 -0.882) 1.380 6.877 ( -4.952 2.432 2.382) 6.009 6.901 ( -3.320 1.632 -0.979) 3.827 6.970 ( 1.688 -0.134 -3.849) 4.205 7.015 ( 2.053 -1.923 -3.370) 4.390 7.111 ( 0.716 1.457 -4.330) 4.624 7.145 ( 0.174 1.720 -0.379) 1.770 7.193 ( 2.205 -4.000 -0.581) 4.604 7.220 ( -0.081 -3.103 -4.734) 5.660 7.363 ( 1.691 5.146 -1.528) 5.628 7.427 ( -0.328 1.393 -4.906) 5.110 7.519 ( -1.539 2.507 -0.361) 2.964 7.615 ( -0.526 -3.119 5.443) 6.295 7.618 ( -0.741 2.775 8.504) 8.976 7.757 ( 1.798 -2.519 -0.463) 3.129 7.798 ( -0.711 1.966 3.147) 3.778 7.923 ( -0.180 -4.605 2.581) 5.281 8.120 ( 0.134 0.641 0.711) 0.966 8.152 ( -2.171 2.449 2.196) 3.941 8.170 ( 1.204 6.176 -2.127) 6.642 8.282 ( -6.286 1.615 3.959) 7.603 8.316 ( -0.619 -0.029 1.409) 1.539 8.368 ( 3.318 -1.478 0.220) 3.639 8.391 ( -0.933 -6.051 2.534) 6.626 8.489 ( -2.782 -9.448 2.127) 10.076 8.620 ( 1.042 1.599 -0.655) 2.018 8.701 ( 1.362 -4.513 0.585) 4.750 8.868 ( -2.290 0.420 -1.499) 2.769 8.913 ( -5.426 -2.473 -1.528) 6.155 9.017 ( 1.083 6.401 -1.211) 6.604 9.103 ( 1.985 -0.212 0.997) 2.231 9.162 ( 3.124 1.230 -0.627) 3.415 9.236 ( 1.550 -4.943 -1.336) 5.350 9.435 ( -0.628 4.030 0.618) 4.125 9.520 ( 3.998 -3.343 1.541) 5.435 9.658 ( -0.199 3.039 1.439) 3.369 9.723 ( -0.419 -1.485 1.847) 2.407 9.758 ( 1.992 3.763 0.321) 4.270 9.858 ( -0.460 -1.758 -1.750) 2.523 9.900 ( -4.458 -0.158 0.584) 4.499 9.951 ( 1.013 -5.092 -1.061) 5.299 10.083 ( 0.873 3.424 1.382) 3.794 10.142 ( -5.289 2.186 -0.539) 5.749 10.190 ( 1.780 -1.298 3.773) 4.369 10.239 ( -4.060 -2.029 0.711) 4.594 10.497 ( 2.553 2.683 -3.596) 5.162 10.506 ( -1.022 1.744 -4.541) 4.970 10.573 ( 1.707 2.699 -4.614) 5.611 10.648 ( -3.362 -2.812 -1.596) 4.665 10.828 ( 5.217 2.951 -3.146) 6.769 10.866 ( 6.243 0.694 -4.046) 7.471 10.928 ( -2.483 1.139 -0.072) 2.733 10.984 ( -4.076 -2.721 0.591) 4.936 11.111 ( 4.175 1.736 0.763) 4.585 11.140 ( 4.835 -0.929 -1.831) 5.253 11.339 ( -0.377 3.383 0.785) 3.493 11.376 ( 0.314 1.460 0.694) 1.646 11.440 ( 0.118 -0.381 3.205) 3.230 11.463 ( -0.049 -1.176 3.378) 3.577 11.830 ( -4.378 5.688 1.280) 7.291 11.915 ( -6.466 0.260 -1.626) 6.672 12.015 ( -2.458 0.801 0.133) 2.588 12.129 ( -4.626 -6.696 -0.990) 8.198 12.259 ( 0.226 2.768 -2.217) 3.554 12.302 ( 0.467 -0.264 -1.371) 1.472 12.356 ( 2.745 -0.757 0.342) 2.868 12.374 ( 0.436 -1.543 0.281) 1.627 12.504 ( 2.149 0.972 1.488) 2.788 12.529 ( 1.739 -1.365 0.564) 2.282 12.656 ( 5.009 5.255 0.377) 7.270 12.775 ( 5.878 -4.148 -0.348) 7.203 12.916 ( -0.056 -0.539 2.216) 2.281 12.953 ( -0.285 -3.681 4.700) 5.976 13.231 ( 1.691 2.995 -2.688) 4.365 13.287 ( 0.863 -1.853 -2.072) 2.911 14.602 ( -2.136 5.806 2.434) 6.648 14.711 ( -3.507 -4.369 1.546) 5.811 15.327 ( 5.485 0.682 -0.468) 5.547 15.344 ( 6.416 -1.023 -1.118) 6.593 15.738 ( -0.096 1.766 -1.274) 2.180 15.763 ( 1.791 -0.363 -1.398) 2.301 15.905 ( 3.499 1.411 0.078) 3.773 15.929 ( 3.737 -0.729 -0.236) 3.815 16.571 ( 4.956 1.491 0.895) 5.252 16.624 ( 6.140 -3.853 -0.285) 7.254 16.855 ( 1.448 0.923 -0.523) 1.795 16.871 ( 1.486 -0.656 -0.054) 1.626 17.082 ( -2.649 1.255 -1.577) 3.329 17.093 ( -4.442 0.253 -0.836) 4.527 17.450 ( -6.764 11.529 2.266) 13.558 17.712 ( -7.822 -12.739 1.807) 15.057 18.068 ( 1.147 0.289 -0.342) 1.231 18.076 ( 1.669 -0.554 -0.240) 1.775 18.173 ( -1.758 2.780 -1.733) 3.718 18.208 ( -3.299 -0.217 0.000) 3.306 18.299 ( 3.616 1.206 -0.625) 3.863 18.333 ( 2.041 -1.079 -2.654) 3.518 18.466 ( 1.439 1.838 1.747) 2.916 18.499 ( 1.862 -0.553 0.923) 2.151 18.554 ( 0.311 5.167 1.272) 5.330 18.683 ( -0.657 -6.511 -1.876) 6.808 18.766 ( 0.192 1.646 -3.303) 3.695 18.854 ( 1.363 -5.170 0.134) 5.348 19.070 ( 1.567 1.664 -2.858) 3.660 19.131 ( 0.469 -3.846 -3.612) 5.297 19.934 ( -7.426 11.820 7.162) 15.689 20.159 ( -11.740 -8.653 3.951) 15.109 ======================= Grid point 16 (11/54) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 0.959 3.427 4.080) 5.414 0.780 ( 1.303 0.944 -0.759) 1.779 0.938 ( 2.323 -3.116 2.993) 4.905 0.958 ( 2.597 2.769 3.664) 5.276 1.079 ( -0.620 -1.790 3.296) 3.802 1.122 ( 0.476 -4.328 2.368) 4.957 1.144 ( 0.100 1.052 -0.825) 1.341 1.162 ( -0.573 -0.414 -2.267) 2.375 1.259 ( 0.603 -0.049 -1.474) 1.593 1.282 ( -3.511 -1.159 -2.401) 4.409 1.352 ( -0.371 0.561 1.098) 1.287 1.364 ( 0.763 -1.717 -0.541) 1.955 1.417 ( 1.722 -0.780 0.818) 2.060 1.438 ( 4.412 -2.777 1.857) 5.534 1.563 ( -1.672 0.641 2.273) 2.894 1.576 ( -2.586 -0.278 0.474) 2.643 1.626 ( -0.767 0.745 3.433) 3.596 1.644 ( -1.720 0.598 1.393) 2.292 1.699 ( 0.371 -0.355 0.352) 0.623 1.720 ( -0.930 -3.021 -0.668) 3.231 1.865 ( 0.452 3.835 0.566) 3.903 1.934 ( 1.296 -2.928 -2.000) 3.776 2.027 ( 3.341 3.308 1.234) 4.861 2.059 ( 0.873 -0.023 -0.169) 0.889 2.086 ( 3.333 2.566 -4.907) 6.463 2.128 ( 0.751 0.672 -2.627) 2.814 2.186 ( -0.496 0.509 -0.724) 1.014 2.250 ( -3.923 -3.428 -0.020) 5.209 2.319 ( -0.892 4.141 0.121) 4.238 2.353 ( 1.477 0.067 -0.719) 1.644 2.398 ( -0.808 6.979 -0.994) 7.096 2.467 ( 0.379 -0.764 4.177) 4.263 2.494 ( -1.237 -0.408 0.254) 1.328 2.541 ( -1.178 -4.336 1.733) 4.815 2.628 ( 1.940 3.059 0.134) 3.625 2.698 ( 1.053 -2.637 -1.308) 3.126 2.718 ( 1.984 0.053 0.360) 2.018 2.756 ( 2.158 -2.647 0.362) 3.434 2.865 ( -0.453 1.314 1.382) 1.961 2.920 ( 0.262 -2.816 2.009) 3.469 2.987 ( 1.450 1.379 -2.219) 2.988 3.015 ( 2.347 1.774 -0.714) 3.028 3.044 ( 6.345 -3.537 0.586) 7.288 3.070 ( 3.299 -2.617 -0.180) 4.215 3.243 ( -2.609 0.675 -0.129) 2.698 3.289 ( -1.452 -3.128 2.288) 4.138 3.329 ( -2.769 2.334 -0.302) 3.634 3.406 ( -3.634 -3.664 -0.561) 5.191 3.431 ( -0.962 2.039 -2.983) 3.739 3.490 ( -0.872 -3.181 -3.409) 4.744 3.610 ( -0.611 4.299 0.970) 4.449 3.682 ( -2.535 2.555 -0.362) 3.618 3.724 ( 0.660 -3.992 -0.132) 4.049 3.764 ( 0.180 -2.953 -1.717) 3.420 3.807 ( 0.806 -0.964 1.294) 1.804 3.811 ( 0.553 -0.045 0.735) 0.922 3.913 ( 0.578 0.635 2.539) 2.681 3.953 ( -2.177 -2.960 2.565) 4.481 4.014 ( -2.964 1.402 -0.570) 3.328 4.049 ( -0.703 -1.755 0.547) 1.968 4.246 ( -2.156 2.491 -1.966) 3.837 4.288 ( -2.643 -0.927 -1.634) 3.243 4.407 ( 2.549 4.718 -0.937) 5.444 4.454 ( 1.500 1.713 0.950) 2.467 4.471 ( 1.548 -2.719 0.186) 3.134 4.524 ( 2.781 -2.264 -0.425) 3.611 4.557 ( -0.381 3.423 -1.111) 3.619 4.646 ( 2.757 -3.333 -4.014) 5.901 4.689 ( -3.888 -0.109 4.923) 6.274 4.718 ( 0.180 -1.586 4.100) 4.399 4.936 ( -3.743 3.875 0.203) 5.392 4.995 ( -0.388 3.644 0.492) 3.698 5.018 ( -3.628 -2.451 -0.681) 4.431 5.084 ( -0.918 -2.698 3.086) 4.201 5.207 ( -2.919 4.667 0.482) 5.526 5.250 ( 3.628 2.112 5.887) 7.231 5.299 ( 4.770 -1.609 1.228) 5.182 5.337 ( -2.111 -4.718 -4.374) 6.771 5.381 ( 1.447 -0.384 -1.741) 2.296 5.400 ( -1.394 -2.156 -1.119) 2.801 5.568 ( -4.416 2.230 0.545) 4.977 5.607 ( 0.926 -0.289 0.180) 0.987 5.665 ( -3.995 2.111 -1.541) 4.774 5.717 ( -2.972 -2.165 -0.195) 3.682 5.801 ( 0.591 2.635 -0.634) 2.774 5.882 ( 1.390 -4.109 -0.570) 4.376 5.948 ( 1.338 3.082 1.559) 3.704 6.020 ( 0.865 -3.005 1.006) 3.285 6.122 ( 0.157 1.355 -0.160) 1.374 6.140 ( 0.068 -0.554 0.615) 0.831 6.328 ( -1.464 3.732 0.120) 4.011 6.337 ( 2.383 3.592 -2.667) 5.069 6.391 ( -0.263 -2.555 -1.451) 2.950 6.423 ( -0.272 -1.647 -0.017) 1.669 6.532 ( -2.023 -2.209 -3.150) 4.347 6.549 ( -2.155 -2.426 0.104) 3.247 6.653 ( -0.066 3.527 -3.964) 5.306 6.723 ( -0.797 -1.876 -2.609) 3.310 6.839 ( -0.085 2.311 -0.394) 2.346 6.848 ( -2.392 1.560 0.627) 2.924 6.942 ( -1.158 0.231 -1.016) 1.558 6.966 ( -2.383 -0.755 -1.410) 2.870 7.041 ( -0.167 4.427 -3.834) 5.859 7.144 ( -0.131 -3.211 -4.843) 5.812 7.201 ( 4.603 -1.340 -1.482) 5.018 7.231 ( 2.181 -3.208 -0.331) 3.893 7.318 ( -7.233 1.142 0.558) 7.344 7.386 ( -1.253 -3.179 -0.390) 3.439 7.500 ( 2.433 9.946 -0.372) 10.246 7.656 ( 0.163 -0.251 -1.570) 1.598 7.756 ( 4.250 0.788 5.657) 7.119 7.773 ( 0.448 -3.556 4.508) 5.759 7.865 ( 2.609 4.961 2.116) 5.991 7.925 ( -2.685 -0.355 1.683) 3.188 8.109 ( -2.903 2.695 0.907) 4.064 8.162 ( 1.199 5.085 -0.684) 5.269 8.182 ( 0.328 -5.091 0.411) 5.118 8.233 ( -5.715 1.009 3.011) 6.538 8.304 ( -3.740 1.502 2.150) 4.568 8.395 ( 2.117 -6.034 -2.793) 6.978 8.432 ( -4.920 -4.406 4.548) 8.019 8.468 ( -1.745 -3.693 3.102) 5.129 8.607 ( 1.055 -0.565 -0.993) 1.555 8.649 ( -4.059 -5.336 -3.300) 7.473 8.842 ( -0.890 -1.081 -0.149) 1.408 8.879 ( 1.969 -5.509 0.681) 5.890 9.046 ( 3.476 5.707 0.127) 6.684 9.138 ( 0.591 -1.988 1.120) 2.357 9.222 ( 3.738 2.426 -0.217) 4.462 9.268 ( 6.110 -1.320 -0.941) 6.322 9.456 ( 0.990 8.298 2.230) 8.649 9.612 ( 3.661 -4.592 1.660) 6.103 9.668 ( -0.689 2.123 0.585) 2.307 9.717 ( -0.963 -2.129 -0.685) 2.435 9.783 ( -0.891 0.558 -0.606) 1.213 9.790 ( -2.202 0.261 -2.390) 3.260 9.829 ( -3.381 3.961 1.925) 5.552 9.961 ( 0.650 -6.312 -1.125) 6.444 10.082 ( -3.165 3.945 1.617) 5.310 10.135 ( 1.185 0.263 1.650) 2.049 10.193 ( -3.681 1.821 2.169) 4.645 10.259 ( -2.627 -3.786 3.232) 5.628 10.368 ( -3.321 3.232 -6.136) 7.689 10.425 ( -1.690 -1.618 -6.324) 6.743 10.579 ( 5.715 0.660 -2.768) 6.385 10.614 ( 2.450 -2.042 -2.097) 3.817 10.858 ( 0.898 3.878 -1.216) 4.163 10.920 ( 8.358 2.686 -1.675) 8.937 10.929 ( -1.865 -1.788 0.993) 2.768 10.975 ( 6.104 -2.618 -1.568) 6.825 11.168 ( 2.986 1.435 -1.780) 3.760 11.175 ( 3.074 1.558 -1.116) 3.622 11.338 ( -1.395 3.132 1.223) 3.640 11.381 ( -1.496 0.865 0.381) 1.769 11.472 ( -0.654 1.240 2.319) 2.710 11.520 ( 0.471 -1.746 3.162) 3.642 11.747 ( -7.510 4.922 0.442) 8.990 11.807 ( -6.146 -0.005 1.064) 6.237 11.977 ( -2.365 0.088 0.226) 2.378 12.039 ( -4.774 -4.530 -1.300) 6.708 12.208 ( -0.656 4.279 -3.597) 5.628 12.284 ( 0.341 -2.165 -1.792) 2.831 12.373 ( 0.824 -0.192 -1.339) 1.584 12.380 ( -0.800 -0.447 0.620) 1.106 12.578 ( 3.086 0.585 2.730) 4.162 12.597 ( 4.892 -1.442 0.451) 5.120 12.741 ( 4.494 3.795 1.387) 6.043 12.861 ( 3.920 -6.665 -0.193) 7.735 12.945 ( 0.025 3.802 2.769) 4.704 13.023 ( 0.990 -2.941 2.687) 4.105 13.238 ( 2.880 0.990 -0.617) 3.107 13.265 ( 1.476 -1.569 -2.803) 3.535 14.588 ( -3.770 3.321 1.410) 5.218 14.637 ( -6.270 -1.311 -0.912) 6.470 15.402 ( 4.756 2.263 -0.906) 5.344 15.453 ( 6.688 -2.279 1.872) 7.310 15.721 ( 2.817 4.865 -2.805) 6.283 15.799 ( 6.699 -2.374 -3.079) 7.745 15.967 ( 3.051 0.649 0.262) 3.131 15.984 ( 2.992 -0.573 0.891) 3.174 16.692 ( 7.190 1.176 1.679) 7.476 16.723 ( 5.825 -2.086 -0.569) 6.213 16.870 ( 2.405 0.991 -1.824) 3.177 16.887 ( 0.497 -0.737 0.192) 0.909 17.011 ( -3.361 0.895 -1.337) 3.726 17.027 ( -2.386 -0.269 -0.648) 2.487 17.369 ( -8.316 8.698 4.153) 12.730 17.561 ( -11.690 -9.130 0.083) 14.833 18.043 ( -0.419 2.552 -2.236) 3.419 18.099 ( -0.448 -2.635 -0.606) 2.740 18.140 ( 0.726 2.083 -2.063) 3.021 18.183 ( -0.021 -2.204 0.520) 2.265 18.342 ( 1.679 1.977 0.548) 2.651 18.362 ( 2.401 -0.354 2.146) 3.240 18.486 ( 0.804 3.824 -1.238) 4.099 18.545 ( 2.749 -0.844 0.471) 2.914 18.567 ( -2.070 1.977 0.770) 2.964 18.648 ( -0.407 -5.648 -1.697) 5.912 18.731 ( 0.705 1.302 -2.162) 2.620 18.840 ( 0.233 -6.770 -3.772) 7.753 19.093 ( 5.048 1.618 -0.295) 5.310 19.132 ( 4.647 -1.947 -0.727) 5.090 19.890 ( -11.496 6.338 6.948) 14.852 20.008 ( -14.282 -4.020 3.438) 15.230 ======================= Grid point 17 (12/54) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 1.244 -2.228 3.354) 4.215 0.783 ( 1.032 -0.272 -0.949) 1.428 0.987 ( 0.990 -0.243 0.417) 1.102 1.026 ( -1.533 1.922 -2.145) 3.262 1.043 ( 0.673 1.203 0.983) 1.693 1.090 ( -4.664 -0.193 1.470) 4.894 1.103 ( -0.942 -1.681 -1.128) 2.233 1.179 ( 0.586 -5.361 1.280) 5.543 1.254 ( 1.274 0.280 0.091) 1.307 1.269 ( 2.467 -0.893 -1.942) 3.264 1.334 ( -2.449 0.559 0.624) 2.588 1.366 ( -0.178 -2.085 -0.378) 2.126 1.463 ( 0.919 0.934 1.146) 1.741 1.510 ( 0.344 -3.675 0.892) 3.797 1.547 ( -1.215 3.385 0.448) 3.624 1.588 ( 0.275 -0.104 1.855) 1.878 1.648 ( 1.999 1.013 -0.064) 2.241 1.665 ( -1.114 -0.125 2.609) 2.839 1.698 ( 0.987 -1.024 -0.766) 1.615 1.718 ( 0.302 -2.681 -0.199) 2.706 1.883 ( 0.375 1.864 0.330) 1.930 1.943 ( 0.670 -3.612 0.757) 3.751 2.030 ( 0.929 -0.004 -3.062) 3.200 2.046 ( -0.749 -0.975 -1.810) 2.188 2.106 ( 2.210 2.237 1.178) 3.357 2.126 ( 2.107 1.672 0.208) 2.698 2.170 ( -1.793 0.320 -0.633) 1.928 2.185 ( -2.061 -0.652 -1.749) 2.780 2.302 ( 0.258 4.245 -0.474) 4.279 2.331 ( -0.948 4.223 -1.082) 4.462 2.427 ( 2.540 3.730 1.472) 4.747 2.486 ( -0.204 0.151 -0.651) 0.698 2.517 ( -0.110 -3.158 1.690) 3.583 2.556 ( -1.378 -1.940 2.173) 3.222 2.639 ( -0.107 1.211 0.147) 1.225 2.673 ( -0.182 -1.769 -1.581) 2.380 2.743 ( 0.690 1.613 -0.202) 1.766 2.789 ( 0.803 -0.521 1.784) 2.025 2.878 ( -1.061 1.656 -0.442) 2.016 2.938 ( 0.208 -1.617 2.124) 2.677 2.973 ( 1.570 0.383 -2.706) 3.152 3.010 ( -0.800 -2.690 -0.485) 2.848 3.131 ( 2.764 -1.046 0.962) 3.108 3.149 ( 0.439 -1.259 1.754) 2.203 3.209 ( 0.247 -2.523 0.943) 2.705 3.227 ( -1.231 -2.643 -1.766) 3.409 3.348 ( -1.276 -0.037 1.357) 1.863 3.356 ( -2.434 -1.209 -0.314) 2.736 3.400 ( 2.174 1.518 -1.849) 3.233 3.474 ( 1.820 -3.608 -1.570) 4.335 3.573 ( -1.072 3.478 -0.763) 3.719 3.662 ( -3.547 -2.431 0.762) 4.367 3.679 ( 0.581 0.561 -2.252) 2.393 3.740 ( -0.644 -3.157 -0.537) 3.267 3.831 ( 1.502 0.426 0.482) 1.634 3.858 ( 1.232 -2.479 -0.166) 2.773 3.941 ( 0.226 0.716 2.449) 2.562 3.978 ( 0.132 -1.526 1.716) 2.300 3.988 ( -1.341 0.186 -0.927) 1.641 4.025 ( -1.256 -1.885 -1.067) 2.504 4.238 ( 0.454 2.002 1.577) 2.589 4.254 ( -0.671 0.357 1.189) 1.411 4.396 ( -1.497 6.021 0.085) 6.205 4.438 ( -1.385 1.553 -2.261) 3.073 4.484 ( 1.844 -0.163 -0.900) 2.058 4.546 ( -0.552 2.390 0.174) 2.460 4.547 ( 0.922 -4.640 -1.446) 4.947 4.619 ( -0.496 -4.488 -1.084) 4.644 4.704 ( -1.015 6.494 1.723) 6.795 4.812 ( 2.913 -2.086 2.784) 4.537 4.916 ( -0.651 3.147 3.216) 4.546 4.981 ( -0.480 0.416 0.124) 0.647 5.030 ( 1.099 0.523 2.916) 3.160 5.074 ( -1.751 4.198 -2.530) 5.205 5.127 ( -1.790 -3.034 -1.859) 3.983 5.215 ( -2.881 -5.551 -4.524) 7.719 5.355 ( 1.301 2.063 -1.057) 2.658 5.382 ( 2.085 2.243 1.744) 3.525 5.401 ( 2.745 -0.168 0.549) 2.804 5.442 ( 2.504 -2.063 2.632) 4.178 5.505 ( -2.584 0.282 0.220) 2.608 5.577 ( -3.377 -4.361 -0.569) 5.545 5.598 ( -2.477 2.273 0.805) 3.457 5.644 ( -2.574 -1.974 -2.378) 4.022 5.807 ( 0.218 4.642 -0.061) 4.648 5.914 ( 0.659 -4.048 0.428) 4.124 6.009 ( 2.257 3.561 1.695) 4.544 6.067 ( 3.700 -2.143 1.451) 4.515 6.111 ( -0.500 2.459 -0.692) 2.603 6.159 ( -0.968 -2.744 0.740) 3.002 6.288 ( -2.426 3.048 -0.406) 3.916 6.321 ( -1.194 3.667 -0.503) 3.889 6.361 ( 2.338 0.176 -2.848) 3.689 6.415 ( -1.002 0.071 -0.266) 1.039 6.492 ( -0.923 -1.558 0.058) 1.812 6.536 ( -0.976 -4.566 0.421) 4.688 6.637 ( 2.369 0.823 -0.956) 2.684 6.671 ( -0.095 -2.179 -2.605) 3.397 6.818 ( -1.522 2.528 -0.426) 2.982 6.867 ( 0.737 0.307 1.723) 1.899 6.908 ( -1.774 -0.716 -1.661) 2.533 6.932 ( -0.712 -1.634 1.178) 2.136 7.020 ( 1.820 5.179 -0.353) 5.500 7.077 ( -0.916 -0.801 -3.638) 3.836 7.215 ( -1.530 0.424 -1.305) 2.055 7.220 ( -2.979 0.210 1.097) 3.182 7.251 ( 1.330 -0.687 -0.974) 1.786 7.378 ( -0.278 -7.396 0.612) 7.427 7.538 ( 1.403 7.679 0.455) 7.819 7.612 ( -0.072 3.665 -2.567) 4.475 7.832 ( 1.545 5.564 -0.039) 5.775 7.870 ( -3.004 3.656 4.044) 6.225 7.902 ( 3.301 0.497 3.302) 4.695 7.981 ( 2.432 -0.684 0.319) 2.546 8.072 ( 0.707 3.201 0.608) 3.335 8.151 ( 0.989 3.839 -2.216) 4.542 8.168 ( -1.827 -6.281 -0.317) 6.548 8.195 ( -4.886 -2.015 1.706) 5.554 8.291 ( -1.023 -0.058 1.382) 1.720 8.364 ( 0.948 -6.895 -3.049) 7.599 8.409 ( -4.392 -4.419 2.364) 6.663 8.445 ( -2.599 -7.731 -0.356) 8.164 8.588 ( 0.629 1.755 0.575) 1.951 8.660 ( 2.044 -5.766 0.479) 6.136 8.832 ( -0.391 -0.937 -0.189) 1.033 8.900 ( 0.159 -7.682 0.084) 7.684 9.108 ( 2.914 3.036 0.837) 4.290 9.143 ( 0.251 -0.307 -1.406) 1.460 9.255 ( 0.416 7.278 0.239) 7.294 9.366 ( 4.450 -2.571 1.422) 5.332 9.513 ( 2.115 9.896 0.819) 10.153 9.636 ( -2.627 -1.218 0.802) 3.005 9.656 ( 0.241 1.174 -0.759) 1.419 9.710 ( 2.633 -2.456 -0.872) 3.705 9.749 ( 0.005 -0.482 -0.250) 0.543 9.767 ( -0.629 -2.992 -0.143) 3.061 9.844 ( -1.224 3.454 2.609) 4.498 9.917 ( -2.504 -3.610 -1.586) 4.670 10.058 ( -1.945 4.422 0.224) 4.836 10.155 ( -0.454 -3.279 1.418) 3.601 10.191 ( -0.875 0.920 1.557) 2.009 10.199 ( -3.297 -1.244 -1.049) 3.676 10.279 ( -0.310 4.083 -2.764) 4.941 10.362 ( 0.568 -3.419 -2.075) 4.040 10.622 ( 2.568 0.982 -0.981) 2.919 10.644 ( 2.041 -0.867 -0.063) 2.219 10.852 ( -0.054 4.096 -0.249) 4.103 10.919 ( -0.790 -0.987 0.655) 1.424 11.033 ( 6.346 0.674 -0.262) 6.387 11.061 ( 5.974 -1.869 -0.487) 6.278 11.152 ( -0.892 2.281 -1.982) 3.150 11.187 ( 0.184 -0.603 -1.177) 1.336 11.331 ( -0.949 2.014 0.468) 2.275 11.344 ( -3.019 1.269 0.465) 3.308 11.496 ( 0.141 1.158 1.306) 1.751 11.539 ( -1.444 -1.844 0.883) 2.504 11.670 ( -2.205 6.153 0.308) 6.544 11.764 ( -2.000 -1.762 1.146) 2.901 11.954 ( -1.423 -0.772 0.519) 1.700 11.965 ( -1.844 -1.820 -1.203) 2.857 12.161 ( -0.198 5.807 -1.675) 6.047 12.266 ( -0.063 -2.992 -0.889) 3.122 12.356 ( -0.343 0.964 -0.755) 1.272 12.374 ( -0.346 -1.132 0.055) 1.185 12.655 ( 2.110 -0.983 0.646) 2.416 12.656 ( 2.200 -1.107 0.782) 2.584 12.817 ( 1.825 2.667 1.527) 3.574 12.878 ( -0.962 -1.232 1.034) 1.875 12.979 ( 1.604 0.583 -0.515) 1.783 13.039 ( -0.334 -3.397 -0.462) 3.444 13.274 ( 2.270 0.880 -0.301) 2.453 13.282 ( 1.269 0.307 0.679) 1.471 14.531 ( -3.038 0.742 -0.732) 3.212 14.548 ( -2.808 -0.739 -0.303) 2.919 15.448 ( 1.898 5.896 0.097) 6.195 15.542 ( 1.202 -1.837 1.300) 2.552 15.765 ( 4.832 2.314 -0.315) 5.367 15.843 ( 3.899 -3.912 -3.347) 6.458 16.001 ( 0.892 1.283 0.509) 1.644 16.030 ( 0.928 -1.479 0.847) 1.941 16.759 ( 1.344 1.154 -0.363) 1.808 16.788 ( 1.728 -1.232 0.601) 2.206 16.873 ( 1.320 1.053 -1.473) 2.241 16.891 ( 0.462 -0.706 -0.366) 0.919 16.952 ( -2.502 1.905 -0.472) 3.181 17.006 ( 0.436 -2.131 -0.412) 2.214 17.335 ( -3.191 6.579 2.486) 7.723 17.431 ( -4.719 -2.898 0.812) 5.597 18.014 ( -0.250 2.259 -0.946) 2.462 18.081 ( -0.410 -3.950 0.128) 3.973 18.122 ( 0.415 2.559 -1.630) 3.062 18.191 ( 0.292 -3.836 -0.156) 3.850 18.387 ( 0.632 3.612 2.000) 4.177 18.414 ( 0.178 0.640 2.383) 2.474 18.463 ( 0.007 4.319 -2.395) 4.938 18.539 ( -0.786 -0.563 -0.089) 0.971 18.587 ( 1.061 -1.041 0.815) 1.695 18.614 ( -0.021 -3.142 -2.281) 3.883 18.718 ( -0.517 -1.710 -0.346) 1.819 18.791 ( 0.428 -6.346 -2.685) 6.904 19.193 ( 4.825 1.824 1.630) 5.410 19.215 ( 4.089 -0.319 0.229) 4.108 19.809 ( -6.624 1.626 3.210) 7.538 19.852 ( -8.074 -1.939 0.257) 8.307 ======================= Grid point 35 (13/54) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.378 ( 5.805 0.000 18.186) 19.090 0.382 ( 0.178 0.000 18.226) 18.227 0.532 ( -9.178 0.000 24.556) 26.215 1.054 ( 0.285 0.000 -4.963) 4.971 1.063 ( -1.954 0.000 -1.521) 2.477 1.214 ( 1.320 0.000 -0.961) 1.632 1.243 ( -0.952 0.000 1.627) 1.884 1.257 ( 3.021 0.000 0.001) 3.021 1.272 ( -5.192 0.000 7.531) 9.147 1.297 ( -1.405 0.000 0.880) 1.658 1.328 ( -0.103 0.000 2.618) 2.620 1.403 ( 4.420 0.000 -0.599) 4.460 1.441 ( -5.452 0.000 0.444) 5.470 1.507 ( 1.529 0.000 0.400) 1.580 1.543 ( -1.225 0.000 -0.852) 1.492 1.578 ( 1.037 0.000 -0.644) 1.221 1.663 ( 3.343 0.000 -1.864) 3.828 1.667 ( -0.325 0.000 0.871) 0.930 1.695 ( -4.792 0.000 1.397) 4.991 1.737 ( 2.603 0.000 -1.610) 3.061 1.833 ( 0.011 0.000 -1.332) 1.332 1.847 ( 1.763 0.000 3.796) 4.186 1.967 ( 0.097 0.000 -0.975) 0.980 2.044 ( 0.061 0.000 -0.983) 0.985 2.056 ( -1.775 0.000 1.504) 2.326 2.116 ( 11.134 0.000 -3.901) 11.798 2.148 ( -2.038 0.000 -7.551) 7.821 2.232 ( 0.060 0.000 -3.272) 3.273 2.254 ( -0.272 0.000 1.119) 1.152 2.257 ( 0.756 0.000 4.623) 4.685 2.358 ( 2.344 0.000 -0.373) 2.373 2.414 ( 5.963 0.000 -1.932) 6.268 2.490 ( -10.541 0.000 4.768) 11.569 2.528 ( -0.520 0.000 0.123) 0.534 2.660 ( 0.566 0.000 0.512) 0.763 2.699 ( -0.531 0.000 4.139) 4.173 2.749 ( 0.758 0.000 1.425) 1.614 2.834 ( -8.647 0.000 -2.087) 8.896 2.870 ( 0.134 0.000 -2.365) 2.369 2.920 ( -1.619 0.000 -3.606) 3.953 2.955 ( -0.839 0.000 -2.885) 3.005 2.987 ( 3.184 0.000 -0.492) 3.222 3.137 ( -2.878 0.000 2.543) 3.840 3.193 ( -4.116 0.000 2.693) 4.919 3.213 ( -0.780 0.000 -1.721) 1.890 3.282 ( 10.601 0.000 -2.230) 10.833 3.332 ( 4.411 0.000 2.538) 5.089 3.502 ( -1.116 0.000 -3.870) 4.027 3.563 ( -5.643 0.000 2.132) 6.032 3.583 ( -1.073 0.000 -0.714) 1.289 3.595 ( -0.635 0.000 -1.110) 1.279 3.632 ( 3.478 0.000 -1.927) 3.976 3.658 ( 2.678 0.000 -1.685) 3.164 3.759 ( 1.599 0.000 0.159) 1.607 3.765 ( -4.653 0.000 3.299) 5.704 3.819 ( -0.998 0.000 -2.727) 2.904 3.996 ( -0.236 0.000 -0.860) 0.892 4.033 ( 1.532 0.000 2.375) 2.826 4.144 ( -4.810 0.000 0.660) 4.855 4.145 ( -0.028 0.000 1.222) 1.222 4.210 ( 2.562 0.000 2.890) 3.862 4.228 ( -1.806 0.000 -1.902) 2.623 4.294 ( 5.050 0.000 2.182) 5.501 4.404 ( -1.834 0.000 -2.416) 3.033 4.537 ( 0.154 0.000 -5.618) 5.620 4.567 ( -3.100 0.000 -1.826) 3.598 4.643 ( -0.937 0.000 4.088) 4.194 4.711 ( 1.187 0.000 4.669) 4.817 4.763 ( -1.643 0.000 3.760) 4.103 4.781 ( -1.007 0.000 -2.557) 2.748 4.902 ( 3.877 0.000 -0.396) 3.897 4.929 ( 4.441 0.000 -5.309) 6.922 5.058 ( 1.188 0.000 -3.268) 3.477 5.068 ( 0.064 0.000 0.793) 0.795 5.114 ( 7.086 0.000 -0.860) 7.138 5.168 ( 2.041 0.000 3.854) 4.361 5.284 ( -4.555 0.000 1.730) 4.873 5.289 ( 4.392 0.000 6.607) 7.933 5.473 ( -0.160 0.000 -0.476) 0.502 5.500 ( 1.375 0.000 -1.997) 2.424 5.572 ( 3.643 0.000 -0.412) 3.666 5.643 ( 1.858 0.000 2.272) 2.935 5.700 ( -2.410 0.000 -0.697) 2.509 5.780 ( -2.734 0.000 1.183) 2.978 5.831 ( 0.018 0.000 1.077) 1.077 5.892 ( -3.722 0.000 -1.212) 3.915 6.011 ( -7.319 0.000 -2.664) 7.789 6.031 ( 0.483 0.000 -3.470) 3.504 6.103 ( -2.312 0.000 2.151) 3.158 6.224 ( -0.168 0.000 -3.188) 3.192 6.228 ( 1.022 0.000 1.597) 1.896 6.341 ( -3.172 0.000 6.674) 7.389 6.389 ( -0.283 0.000 -2.258) 2.275 6.529 ( -1.610 0.000 2.957) 3.367 6.626 ( -3.638 0.000 -1.585) 3.968 6.686 ( 4.578 0.000 -1.354) 4.774 6.687 ( -10.142 0.000 -0.946) 10.186 6.730 ( 0.926 0.000 -2.851) 2.997 6.816 ( -3.159 0.000 1.067) 3.335 6.821 ( 3.934 0.000 -0.451) 3.959 6.895 ( -3.394 0.000 1.054) 3.554 6.981 ( -3.751 0.000 0.301) 3.763 7.059 ( 1.499 0.000 -1.584) 2.181 7.134 ( -2.319 0.000 -3.770) 4.426 7.193 ( 4.139 0.000 -1.523) 4.411 7.251 ( 0.934 0.000 1.953) 2.165 7.278 ( -0.010 0.000 -0.785) 0.785 7.339 ( -1.164 0.000 1.457) 1.865 7.432 ( 1.650 0.000 -0.429) 1.704 7.461 ( -1.839 0.000 -1.181) 2.185 7.620 ( 10.205 0.000 -2.703) 10.557 7.647 ( -0.044 0.000 -2.555) 2.555 7.905 ( 0.917 0.000 1.931) 2.137 7.950 ( 2.877 0.000 -0.746) 2.972 8.056 ( 0.691 0.000 1.096) 1.296 8.074 ( -1.950 0.000 2.928) 3.518 8.237 ( -0.702 0.000 -3.095) 3.174 8.313 ( -6.449 0.000 -2.668) 6.980 8.374 ( 2.831 0.000 1.398) 3.157 8.394 ( 2.765 0.000 -1.042) 2.955 8.469 ( -3.238 0.000 -0.130) 3.240 8.639 ( -0.056 0.000 8.014) 8.014 8.671 ( 3.326 0.000 -5.689) 6.589 8.803 ( -1.018 0.000 3.593) 3.734 8.851 ( -5.665 0.000 -0.886) 5.733 8.892 ( 2.755 0.000 0.201) 2.762 9.018 ( 1.778 0.000 6.376) 6.619 9.162 ( -0.548 0.000 2.140) 2.209 9.274 ( -0.855 0.000 0.877) 1.225 9.359 ( -3.091 0.000 1.805) 3.579 9.436 ( 0.631 0.000 2.998) 3.064 9.468 ( -2.112 0.000 -0.379) 2.146 9.569 ( 3.101 0.000 0.008) 3.101 9.656 ( -2.709 0.000 -3.921) 4.766 9.788 ( 0.540 0.000 -2.438) 2.497 9.910 ( 0.821 0.000 -6.881) 6.930 9.914 ( 0.107 0.000 3.837) 3.838 9.990 ( 3.734 0.000 -2.238) 4.353 10.044 ( 1.957 0.000 -4.450) 4.862 10.138 ( -0.961 0.000 0.508) 1.087 10.207 ( 2.085 0.000 -2.704) 3.414 10.222 ( 0.269 0.000 2.363) 2.378 10.376 ( 3.698 0.000 0.707) 3.766 10.470 ( 1.625 0.000 -1.784) 2.413 10.545 ( 0.042 0.000 -3.559) 3.559 10.587 ( -2.361 0.000 -1.500) 2.797 10.650 ( 0.297 0.000 4.294) 4.304 10.859 ( -4.503 0.000 -3.831) 5.913 10.933 ( -12.618 0.000 -1.812) 12.747 10.979 ( 2.806 0.000 -2.071) 3.487 11.112 ( -2.677 0.000 2.062) 3.379 11.120 ( -2.234 0.000 2.019) 3.011 11.250 ( 0.917 0.000 -0.198) 0.938 11.294 ( -1.723 0.000 2.219) 2.809 11.411 ( 0.996 0.000 4.153) 4.270 11.440 ( -1.403 0.000 2.234) 2.638 11.683 ( 1.682 0.000 2.748) 3.222 11.856 ( -2.594 0.000 -1.290) 2.897 12.165 ( 0.942 0.000 -4.682) 4.776 12.225 ( 1.042 0.000 -8.699) 8.761 12.255 ( -2.745 0.000 0.308) 2.762 12.307 ( 3.825 0.000 -0.329) 3.839 12.396 ( 15.567 0.000 -0.035) 15.567 12.403 ( -2.101 0.000 0.049) 2.102 12.486 ( -0.842 0.000 2.238) 2.391 12.531 ( -1.114 0.000 0.428) 1.193 12.628 ( -13.808 0.000 6.785) 15.385 12.869 ( 1.574 0.000 -1.868) 2.442 12.925 ( 5.473 0.000 0.612) 5.507 13.106 ( 0.347 0.000 -2.666) 2.688 13.126 ( 2.455 0.000 3.781) 4.508 13.211 ( 0.838 0.000 2.034) 2.200 14.475 ( -0.781 0.000 4.179) 4.252 14.807 ( -1.074 0.000 -3.982) 4.124 15.202 ( 3.448 0.000 1.447) 3.739 15.323 ( -10.792 0.000 -1.684) 10.922 15.536 ( -1.086 0.000 0.737) 1.312 15.689 ( -0.599 0.000 -3.528) 3.578 15.859 ( 2.980 0.000 1.599) 3.381 15.901 ( -0.855 0.000 0.050) 0.856 16.510 ( 0.759 0.000 0.231) 0.793 16.633 ( 3.427 0.000 -1.859) 3.899 16.834 ( -1.996 0.000 0.820) 2.158 16.860 ( 1.505 0.000 0.454) 1.572 17.079 ( -0.927 0.000 1.588) 1.839 17.189 ( -4.558 0.000 7.273) 8.583 17.243 ( -1.835 0.000 -1.966) 2.689 17.918 ( 5.813 0.000 -8.877) 10.611 18.047 ( 1.610 0.000 -4.302) 4.593 18.099 ( 0.498 0.000 -5.141) 5.165 18.185 ( -5.336 0.000 0.416) 5.352 18.189 ( -3.266 0.000 1.597) 3.636 18.297 ( -3.431 0.000 4.537) 5.688 18.382 ( 2.396 0.000 2.846) 3.720 18.394 ( -0.137 0.000 2.182) 2.187 18.412 ( -2.708 0.000 4.082) 4.899 18.681 ( -0.104 0.000 3.370) 3.371 18.733 ( -0.358 0.000 -2.354) 2.381 18.906 ( 1.334 0.000 0.064) 1.336 18.939 ( 0.051 0.000 -2.942) 2.942 18.960 ( 9.666 0.000 -0.194) 9.668 19.203 ( -1.383 0.000 -12.718) 12.793 19.837 ( 1.128 0.000 15.108) 15.150 20.400 ( 2.823 0.000 -3.467) 4.471 ======================= Grid point 36 (14/54) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -3.571 0.000 16.739) 17.115 0.676 ( 6.359 0.000 13.720) 15.122 0.881 ( 10.544 0.000 7.114) 12.719 0.963 ( 0.629 0.000 -8.440) 8.464 1.009 ( -2.165 0.000 0.253) 2.180 1.219 ( -1.984 0.000 -0.164) 1.991 1.223 ( 0.586 0.000 -0.701) 0.913 1.258 ( -1.748 0.000 -1.592) 2.364 1.315 ( -4.588 0.000 8.269) 9.457 1.326 ( 4.977 0.000 0.998) 5.076 1.354 ( -4.789 0.000 -0.126) 4.790 1.402 ( 1.042 0.000 4.721) 4.835 1.455 ( -2.988 0.000 -2.147) 3.679 1.469 ( 5.512 0.000 -1.275) 5.658 1.559 ( 2.292 0.000 -0.326) 2.315 1.595 ( 1.905 0.000 -0.168) 1.912 1.619 ( -4.179 0.000 0.806) 4.256 1.682 ( -0.442 0.000 2.432) 2.472 1.695 ( 1.782 0.000 -0.698) 1.914 1.752 ( 0.285 0.000 -0.243) 0.375 1.840 ( 2.876 0.000 -1.108) 3.082 1.901 ( -2.115 0.000 1.430) 2.554 1.966 ( -1.888 0.000 3.717) 4.169 2.009 ( -1.498 0.000 -5.427) 5.630 2.031 ( 0.955 0.000 -1.764) 2.006 2.057 ( 5.912 0.000 -2.769) 6.528 2.119 ( -3.812 0.000 -7.115) 8.072 2.216 ( 0.788 0.000 2.885) 2.991 2.278 ( -0.654 0.000 2.722) 2.799 2.279 ( -1.430 0.000 0.400) 1.485 2.387 ( 1.379 0.000 -5.117) 5.300 2.473 ( 1.558 0.000 2.820) 3.222 2.477 ( -1.428 0.000 0.026) 1.428 2.538 ( 7.568 0.000 -1.356) 7.689 2.607 ( -6.667 0.000 2.253) 7.038 2.760 ( 0.047 0.000 4.964) 4.964 2.767 ( 2.574 0.000 2.563) 3.633 2.822 ( -3.300 0.000 -2.081) 3.901 2.878 ( 3.109 0.000 2.418) 3.938 2.902 ( 0.338 0.000 -0.467) 0.576 2.942 ( 9.520 0.000 -3.912) 10.292 3.037 ( 2.147 0.000 2.571) 3.349 3.092 ( 0.010 0.000 -3.073) 3.073 3.145 ( -3.378 0.000 -3.664) 4.984 3.213 ( 0.879 0.000 4.526) 4.611 3.358 ( -5.709 0.000 -2.518) 6.240 3.385 ( 3.928 0.000 -1.325) 4.145 3.425 ( 3.523 0.000 -3.561) 5.009 3.495 ( -3.963 0.000 -0.980) 4.082 3.531 ( -2.274 0.000 -0.118) 2.277 3.597 ( 0.149 0.000 -0.857) 0.870 3.675 ( 2.944 0.000 -0.272) 2.956 3.701 ( 1.817 0.000 1.931) 2.652 3.752 ( -0.058 0.000 1.893) 1.893 3.780 ( 0.291 0.000 -1.834) 1.857 3.835 ( 5.751 0.000 1.871) 6.047 4.015 ( 0.129 0.000 1.600) 1.605 4.057 ( -3.649 0.000 1.117) 3.816 4.076 ( -3.774 0.000 -0.158) 3.777 4.142 ( -1.294 0.000 1.404) 1.910 4.188 ( -0.966 0.000 -1.540) 1.818 4.259 ( 0.279 0.000 -3.833) 3.844 4.392 ( 1.667 0.000 1.525) 2.259 4.394 ( 2.074 0.000 1.843) 2.774 4.454 ( 0.838 0.000 -2.832) 2.953 4.480 ( -1.392 0.000 -1.962) 2.405 4.655 ( -6.270 0.000 -0.860) 6.329 4.725 ( -2.015 0.000 5.328) 5.696 4.727 ( -3.289 0.000 -0.390) 3.312 4.790 ( -1.209 0.000 1.290) 1.768 4.874 ( -5.432 0.000 1.735) 5.703 4.930 ( 6.291 0.000 -4.279) 7.608 5.051 ( 2.352 0.000 -2.603) 3.509 5.059 ( -3.696 0.000 2.071) 4.237 5.113 ( 1.097 0.000 -4.570) 4.700 5.241 ( -0.109 0.000 3.912) 3.913 5.282 ( 5.266 0.000 -3.175) 6.150 5.417 ( 0.840 0.000 4.007) 4.094 5.450 ( -5.587 0.000 2.466) 6.107 5.495 ( 1.423 0.000 -2.489) 2.867 5.603 ( 0.602 0.000 1.866) 1.961 5.606 ( -5.025 0.000 -4.883) 7.007 5.701 ( 1.485 0.000 2.184) 2.641 5.757 ( -1.699 0.000 1.324) 2.154 5.834 ( -2.682 0.000 0.490) 2.726 5.848 ( -2.603 0.000 3.588) 4.433 5.887 ( -4.975 0.000 2.980) 5.800 6.013 ( 0.400 0.000 -2.009) 2.049 6.105 ( -1.577 0.000 1.581) 2.233 6.129 ( -3.549 0.000 -5.560) 6.596 6.287 ( 2.456 0.000 2.047) 3.197 6.348 ( -0.648 0.000 -2.780) 2.855 6.389 ( -6.508 0.000 6.562) 9.242 6.481 ( -3.510 0.000 3.334) 4.841 6.543 ( -2.965 0.000 4.998) 5.812 6.624 ( -1.429 0.000 -4.694) 4.907 6.716 ( 5.468 0.000 -3.871) 6.700 6.762 ( 2.916 0.000 -1.592) 3.323 6.774 ( -1.178 0.000 -2.955) 3.181 6.853 ( -4.564 0.000 2.170) 5.054 6.901 ( -2.779 0.000 0.056) 2.780 6.944 ( 5.161 0.000 0.640) 5.201 7.045 ( -5.049 0.000 -0.808) 5.113 7.120 ( 4.219 0.000 2.989) 5.171 7.201 ( 2.565 0.000 -5.118) 5.725 7.247 ( 3.028 0.000 -3.789) 4.850 7.292 ( 0.754 0.000 1.583) 1.753 7.328 ( -0.852 0.000 -3.555) 3.656 7.400 ( -4.566 0.000 0.143) 4.568 7.485 ( 1.948 0.000 1.212) 2.294 7.640 ( 3.779 0.000 -2.436) 4.496 7.738 ( 9.796 0.000 -3.128) 10.284 7.884 ( -5.600 0.000 -1.109) 5.708 7.965 ( -0.436 0.000 -0.237) 0.496 8.045 ( -4.173 0.000 -0.753) 4.240 8.108 ( 3.102 0.000 2.637) 4.072 8.192 ( -4.420 0.000 -2.413) 5.036 8.217 ( 0.674 0.000 4.680) 4.728 8.447 ( 4.933 0.000 -0.650) 4.976 8.447 ( 6.703 0.000 -1.165) 6.803 8.472 ( 2.900 0.000 1.414) 3.226 8.681 ( 3.528 0.000 -2.503) 4.326 8.759 ( -4.349 0.000 -0.437) 4.371 8.773 ( 2.370 0.000 7.467) 7.834 8.815 ( -2.489 0.000 1.920) 3.144 8.932 ( 2.358 0.000 0.379) 2.388 9.102 ( -0.382 0.000 2.777) 2.803 9.127 ( -4.928 0.000 -0.956) 5.020 9.295 ( -0.565 0.000 2.089) 2.164 9.319 ( -7.054 0.000 4.194) 8.207 9.447 ( -0.117 0.000 -0.142) 0.184 9.482 ( 1.955 0.000 1.193) 2.290 9.596 ( -0.167 0.000 -0.859) 0.875 9.641 ( 4.561 0.000 0.404) 4.579 9.771 ( 1.773 0.000 -2.160) 2.795 9.807 ( -2.117 0.000 -3.556) 4.138 9.908 ( -4.731 0.000 -6.940) 8.399 9.930 ( -1.112 0.000 1.476) 1.848 10.032 ( 3.832 0.000 -1.124) 3.993 10.129 ( 0.046 0.000 1.172) 1.173 10.226 ( 4.676 0.000 -5.903) 7.531 10.229 ( -2.415 0.000 1.700) 2.953 10.442 ( 1.430 0.000 0.878) 1.678 10.467 ( -4.311 0.000 -4.925) 6.545 10.499 ( 0.840 0.000 -3.124) 3.235 10.552 ( 5.827 0.000 2.523) 6.350 10.744 ( 5.750 0.000 3.927) 6.964 10.766 ( -6.573 0.000 2.443) 7.012 10.833 ( -0.290 0.000 -2.826) 2.841 11.020 ( 4.461 0.000 -1.126) 4.601 11.108 ( -2.531 0.000 2.416) 3.499 11.127 ( 0.124 0.000 1.414) 1.419 11.274 ( 1.117 0.000 1.068) 1.546 11.304 ( -0.344 0.000 -0.138) 0.370 11.442 ( -1.229 0.000 1.484) 1.927 11.492 ( 1.717 0.000 3.490) 3.889 11.748 ( -0.707 0.000 4.395) 4.452 11.758 ( -6.226 0.000 -3.080) 6.946 12.086 ( -1.519 0.000 -5.179) 5.397 12.135 ( -1.158 0.000 -4.309) 4.462 12.187 ( -5.645 0.000 0.407) 5.659 12.342 ( 1.072 0.000 -2.433) 2.658 12.345 ( -2.466 0.000 -2.524) 3.529 12.481 ( -4.381 0.000 4.131) 6.021 12.534 ( 1.933 0.000 2.809) 3.410 12.549 ( 3.731 0.000 -0.355) 3.748 12.638 ( 5.598 0.000 2.416) 6.098 12.896 ( 3.343 0.000 0.156) 3.346 13.002 ( 2.793 0.000 1.778) 3.311 13.053 ( -0.738 0.000 -4.474) 4.534 13.218 ( 2.708 0.000 1.931) 3.326 13.248 ( 1.525 0.000 -0.228) 1.542 14.517 ( -2.268 0.000 6.183) 6.586 14.697 ( -4.491 0.000 -4.625) 6.447 15.293 ( 4.268 0.000 -3.764) 5.691 15.343 ( 9.740 0.000 3.948) 10.510 15.534 ( -0.411 0.000 1.002) 1.083 15.671 ( 5.012 0.000 -2.975) 5.829 15.916 ( 3.307 0.000 -0.875) 3.421 15.940 ( 4.739 0.000 1.964) 5.130 16.573 ( 5.192 0.000 1.516) 5.409 16.664 ( 7.118 0.000 -7.364) 10.242 16.817 ( -1.174 0.000 0.226) 1.195 16.905 ( 2.846 0.000 0.956) 3.002 17.067 ( -3.695 0.000 1.587) 4.021 17.124 ( -6.862 0.000 0.981) 6.932 17.258 ( -6.791 0.000 7.372) 10.024 17.831 ( -0.576 0.000 -12.635) 12.648 17.962 ( -4.020 0.000 -3.644) 5.426 18.027 ( 1.891 0.000 -2.400) 3.056 18.167 ( -0.144 0.000 0.014) 0.145 18.190 ( 1.333 0.000 2.226) 2.595 18.354 ( -0.610 0.000 3.610) 3.661 18.382 ( -2.248 0.000 0.680) 2.348 18.443 ( -0.424 0.000 6.170) 6.185 18.514 ( 0.526 0.000 6.804) 6.825 18.667 ( 0.106 0.000 -4.198) 4.199 18.719 ( 1.601 0.000 -0.544) 1.691 18.888 ( -1.488 0.000 -1.628) 2.206 18.927 ( 0.917 0.000 0.466) 1.029 19.036 ( -1.066 0.000 -7.638) 7.712 19.048 ( 6.448 0.000 -3.027) 7.123 20.000 ( -4.707 0.000 11.106) 12.062 20.224 ( -13.587 0.000 -0.755) 13.608 ======================= Grid point 37 (15/54) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 0.378 0.000 7.243) 7.253 0.827 ( 3.071 0.000 -5.571) 6.361 0.962 ( 6.413 0.000 4.227) 7.681 0.971 ( 3.242 0.000 -0.809) 3.341 1.026 ( -1.081 0.000 1.827) 2.123 1.164 ( -3.754 0.000 -1.112) 3.915 1.183 ( -2.907 0.000 1.453) 3.250 1.251 ( 2.619 0.000 -0.925) 2.778 1.257 ( -6.517 0.000 0.692) 6.554 1.331 ( -0.424 0.000 1.581) 1.637 1.379 ( -4.531 0.000 1.182) 4.682 1.454 ( 0.825 0.000 -0.037) 0.826 1.510 ( 5.029 0.000 1.271) 5.187 1.520 ( 0.945 0.000 0.096) 0.950 1.556 ( -1.141 0.000 0.205) 1.160 1.623 ( 3.310 0.000 -0.351) 3.329 1.625 ( 2.348 0.000 -0.787) 2.476 1.673 ( -2.805 0.000 -1.687) 3.273 1.731 ( -1.571 0.000 1.155) 1.950 1.744 ( 5.883 0.000 0.984) 5.965 1.872 ( 3.087 0.000 -1.552) 3.455 1.874 ( -2.250 0.000 0.228) 2.261 1.942 ( 0.103 0.000 -2.172) 2.174 1.984 ( -0.496 0.000 2.192) 2.248 2.011 ( 1.527 0.000 -2.868) 3.249 2.057 ( -0.524 0.000 2.342) 2.400 2.141 ( 7.719 0.000 -2.864) 8.233 2.190 ( -4.023 0.000 1.299) 4.227 2.289 ( -0.777 0.000 -5.264) 5.321 2.301 ( 0.418 0.000 0.324) 0.528 2.324 ( 2.623 0.000 0.628) 2.697 2.413 ( -0.910 0.000 -3.237) 3.362 2.465 ( -4.930 0.000 1.078) 5.046 2.642 ( 1.031 0.000 4.641) 4.754 2.647 ( 3.235 0.000 1.992) 3.799 2.723 ( -4.039 0.000 -2.651) 4.831 2.825 ( -0.197 0.000 2.116) 2.125 2.826 ( -1.089 0.000 4.068) 4.211 2.895 ( -0.200 0.000 -0.759) 0.785 2.898 ( -0.149 0.000 -1.820) 1.826 3.028 ( -5.347 0.000 -2.230) 5.793 3.091 ( 11.748 0.000 -1.108) 11.800 3.097 ( 5.874 0.000 -2.245) 6.288 3.132 ( 2.407 0.000 4.867) 5.430 3.239 ( -0.172 0.000 -4.137) 4.141 3.291 ( 3.644 0.000 1.674) 4.010 3.349 ( -5.866 0.000 -0.592) 5.896 3.424 ( 2.789 0.000 -3.987) 4.866 3.452 ( -0.506 0.000 -2.172) 2.230 3.554 ( 1.615 0.000 2.683) 3.132 3.597 ( 1.856 0.000 -0.107) 1.859 3.685 ( -1.015 0.000 -0.654) 1.207 3.761 ( -1.821 0.000 0.615) 1.922 3.781 ( 2.758 0.000 -0.830) 2.880 3.783 ( 2.233 0.000 4.085) 4.655 3.960 ( -3.882 0.000 0.636) 3.934 3.963 ( 1.391 0.000 2.303) 2.691 3.994 ( -2.286 0.000 -0.560) 2.354 4.070 ( -1.011 0.000 2.742) 2.923 4.140 ( -4.652 0.000 -0.029) 4.652 4.157 ( -1.163 0.000 -3.925) 4.093 4.159 ( -0.406 0.000 -0.512) 0.653 4.332 ( -4.624 0.000 -2.924) 5.471 4.376 ( 1.664 0.000 -2.891) 3.335 4.478 ( -4.523 0.000 -0.331) 4.535 4.533 ( 1.628 0.000 3.469) 3.832 4.584 ( 0.451 0.000 2.236) 2.281 4.640 ( -1.735 0.000 -4.330) 4.664 4.771 ( -0.286 0.000 -0.790) 0.840 4.803 ( -1.105 0.000 8.122) 8.197 4.839 ( -3.314 0.000 2.964) 4.446 4.953 ( -2.545 0.000 -3.457) 4.293 4.991 ( 5.829 0.000 -3.753) 6.933 5.036 ( -3.373 0.000 2.754) 4.355 5.169 ( 7.385 0.000 0.501) 7.401 5.216 ( -1.100 0.000 -8.803) 8.872 5.328 ( 2.746 0.000 1.076) 2.949 5.378 ( -6.643 0.000 1.288) 6.767 5.462 ( 0.424 0.000 -3.984) 4.006 5.470 ( -1.551 0.000 4.678) 4.928 5.499 ( 0.837 0.000 -0.423) 0.938 5.593 ( -4.625 0.000 -0.127) 4.627 5.738 ( -1.691 0.000 0.295) 1.717 5.763 ( 2.213 0.000 -0.954) 2.410 5.800 ( -5.401 0.000 4.026) 6.736 5.883 ( -2.041 0.000 4.890) 5.299 5.914 ( 0.209 0.000 3.292) 3.298 5.987 ( -2.968 0.000 0.948) 3.116 6.007 ( 0.153 0.000 -4.252) 4.255 6.089 ( -1.079 0.000 -0.475) 1.179 6.286 ( -2.839 0.000 -2.689) 3.911 6.329 ( -0.329 0.000 0.498) 0.596 6.395 ( -0.678 0.000 5.255) 5.299 6.518 ( 1.021 0.000 1.047) 1.462 6.552 ( -0.982 0.000 -2.182) 2.393 6.596 ( 0.896 0.000 4.144) 4.240 6.702 ( -1.090 0.000 -2.811) 3.015 6.755 ( 0.976 0.000 0.820) 1.275 6.759 ( 1.301 0.000 -2.324) 2.664 6.824 ( -3.561 0.000 2.512) 4.358 6.856 ( -4.391 0.000 1.573) 4.664 6.968 ( -4.021 0.000 0.009) 4.021 6.996 ( -0.541 0.000 1.448) 1.546 7.141 ( 1.125 0.000 -5.892) 5.999 7.226 ( 1.017 0.000 4.013) 4.140 7.250 ( -1.892 0.000 -3.359) 3.855 7.275 ( 5.708 0.000 -1.526) 5.909 7.316 ( 0.234 0.000 1.043) 1.069 7.368 ( -0.222 0.000 1.154) 1.175 7.488 ( -1.056 0.000 -0.818) 1.335 7.637 ( -0.445 0.000 -3.448) 3.477 7.788 ( -2.000 0.000 -0.339) 2.028 7.821 ( 7.495 0.000 -3.858) 8.429 7.931 ( -2.576 0.000 -0.906) 2.730 7.979 ( -4.279 0.000 0.618) 4.323 8.113 ( -3.738 0.000 0.009) 3.738 8.230 ( 6.436 0.000 3.616) 7.382 8.302 ( 3.071 0.000 1.176) 3.288 8.485 ( 1.112 0.000 -0.314) 1.156 8.508 ( 5.959 0.000 -6.044) 8.488 8.594 ( 1.922 0.000 4.923) 5.285 8.672 ( -1.564 0.000 0.131) 1.570 8.723 ( -0.100 0.000 -1.470) 1.473 8.805 ( 2.630 0.000 -0.685) 2.718 8.911 ( 4.585 0.000 3.349) 5.678 8.966 ( 3.687 0.000 -3.104) 4.820 9.025 ( -3.793 0.000 -1.430) 4.054 9.085 ( -3.252 0.000 1.319) 3.509 9.269 ( -5.998 0.000 3.956) 7.185 9.314 ( -0.428 0.000 3.180) 3.209 9.450 ( -0.443 0.000 0.645) 0.782 9.523 ( 2.007 0.000 0.044) 2.007 9.606 ( 2.094 0.000 -0.511) 2.156 9.693 ( 1.889 0.000 -0.223) 1.902 9.771 ( 0.982 0.000 -1.306) 1.634 9.777 ( -2.323 0.000 -1.059) 2.553 9.831 ( 3.643 0.000 2.857) 4.629 9.926 ( -5.822 0.000 1.805) 6.095 10.047 ( 1.986 0.000 -1.434) 2.449 10.129 ( -2.282 0.000 -6.615) 6.998 10.188 ( 1.827 0.000 1.352) 2.273 10.243 ( -0.342 0.000 4.098) 4.112 10.330 ( -2.653 0.000 -6.487) 7.008 10.444 ( 0.117 0.000 -1.602) 1.606 10.513 ( 5.393 0.000 -1.909) 5.721 10.623 ( 1.366 0.000 0.209) 1.382 10.718 ( -6.832 0.000 5.068) 8.507 10.815 ( 2.544 0.000 -2.370) 3.477 10.922 ( 7.194 0.000 2.962) 7.779 11.017 ( -0.964 0.000 -1.066) 1.437 11.164 ( 1.299 0.000 2.739) 3.031 11.165 ( 4.063 0.000 3.033) 5.070 11.265 ( -1.699 0.000 -3.164) 3.591 11.310 ( 1.110 0.000 1.530) 1.890 11.476 ( 1.632 0.000 3.519) 3.879 11.544 ( 1.594 0.000 0.140) 1.601 11.593 ( -8.714 0.000 -3.713) 9.472 11.787 ( -2.312 0.000 4.778) 5.308 12.000 ( -2.197 0.000 -1.973) 2.953 12.050 ( -5.295 0.000 -1.693) 5.559 12.116 ( -3.816 0.000 0.008) 3.816 12.276 ( -1.484 0.000 -2.073) 2.549 12.292 ( 0.201 0.000 -3.876) 3.881 12.447 ( -4.288 0.000 2.343) 4.887 12.621 ( 4.408 0.000 2.633) 5.134 12.657 ( 6.513 0.000 0.855) 6.569 12.763 ( 5.328 0.000 2.785) 6.012 12.894 ( -4.175 0.000 -3.053) 5.172 13.034 ( 6.084 0.000 -0.638) 6.117 13.049 ( 1.057 0.000 0.281) 1.094 13.235 ( 0.157 0.000 -3.157) 3.161 13.252 ( 0.441 0.000 -0.068) 0.446 14.570 ( -3.766 0.000 -3.462) 5.116 14.580 ( -1.623 0.000 5.904) 6.123 15.265 ( 0.462 0.000 -4.201) 4.227 15.487 ( -1.683 0.000 3.340) 3.740 15.648 ( 13.113 0.000 4.020) 13.716 15.760 ( 11.334 0.000 -3.371) 11.825 15.950 ( 2.829 0.000 -2.468) 3.754 16.044 ( 4.918 0.000 1.383) 5.108 16.667 ( 5.722 0.000 -5.296) 7.797 16.709 ( 7.843 0.000 3.956) 8.784 16.812 ( 0.544 0.000 0.264) 0.605 16.948 ( 0.952 0.000 0.462) 1.058 17.022 ( -3.921 0.000 0.843) 4.011 17.040 ( -5.928 0.000 1.227) 6.053 17.228 ( -11.947 0.000 8.900) 14.898 17.568 ( -7.537 0.000 -11.125) 13.438 17.942 ( 2.161 0.000 0.031) 2.161 18.044 ( 1.912 0.000 0.524) 1.982 18.179 ( 1.026 0.000 0.791) 1.296 18.237 ( 1.180 0.000 0.837) 1.446 18.352 ( -1.838 0.000 -0.481) 1.900 18.356 ( -2.552 0.000 1.030) 2.752 18.493 ( -3.238 0.000 -2.841) 4.308 18.515 ( -0.932 0.000 3.651) 3.768 18.726 ( 1.820 0.000 -1.077) 2.115 18.727 ( 4.335 0.000 4.154) 6.004 18.856 ( -1.598 0.000 -0.310) 1.627 18.932 ( -0.515 0.000 -0.359) 0.628 18.972 ( 1.560 0.000 -1.979) 2.520 19.099 ( 5.277 0.000 -2.180) 5.709 19.990 ( -9.362 0.000 3.041) 9.844 20.018 ( -9.786 0.000 -3.323) 10.334 ======================= Grid point 38 (16/54) ======================= q-point: ( 0.43 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 2.309 0.000 2.511) 3.411 0.831 ( 5.748 0.000 -1.923) 6.061 0.955 ( -5.393 0.000 -1.155) 5.515 1.027 ( -0.712 0.000 -2.706) 2.798 1.041 ( 0.848 0.000 1.306) 1.558 1.155 ( -0.155 0.000 3.388) 3.391 1.193 ( -2.082 0.000 2.776) 3.470 1.204 ( -0.257 0.000 2.546) 2.559 1.290 ( 2.631 0.000 -0.874) 2.773 1.314 ( -5.365 0.000 1.597) 5.598 1.365 ( 1.702 0.000 1.820) 2.492 1.416 ( -2.218 0.000 -3.257) 3.941 1.482 ( -2.039 0.000 -1.423) 2.486 1.532 ( -0.462 0.000 -1.978) 2.031 1.556 ( 1.516 0.000 0.306) 1.546 1.617 ( 1.386 0.000 -4.557) 4.764 1.656 ( 1.524 0.000 -0.568) 1.626 1.683 ( 2.367 0.000 3.499) 4.225 1.720 ( -1.526 0.000 0.168) 1.536 1.813 ( -2.018 0.000 -0.828) 2.181 1.832 ( 5.025 0.000 -3.785) 6.291 1.891 ( 1.670 0.000 -1.219) 2.068 1.954 ( 1.791 0.000 -1.674) 2.452 2.022 ( -2.325 0.000 3.232) 3.982 2.029 ( -1.707 0.000 -0.471) 1.771 2.053 ( 2.055 0.000 2.600) 3.314 2.167 ( -2.165 0.000 2.315) 3.170 2.179 ( 1.492 0.000 -0.430) 1.552 2.247 ( 0.785 0.000 -2.779) 2.888 2.313 ( 4.090 0.000 -3.769) 5.562 2.351 ( 0.972 0.000 -0.254) 1.005 2.404 ( 4.692 0.000 -2.231) 5.195 2.418 ( -3.031 0.000 2.218) 3.756 2.616 ( -0.381 0.000 -4.270) 4.287 2.671 ( -3.062 0.000 0.780) 3.159 2.716 ( 0.342 0.000 3.008) 3.027 2.790 ( -8.269 0.000 -0.559) 8.288 2.826 ( -1.683 0.000 0.795) 1.862 2.879 ( 2.555 0.000 -2.839) 3.819 2.882 ( -0.709 0.000 1.028) 1.249 2.973 ( 0.029 0.000 1.548) 1.548 3.150 ( 1.691 0.000 1.097) 2.015 3.185 ( 2.177 0.000 0.065) 2.178 3.205 ( -1.636 0.000 0.072) 1.638 3.277 ( -0.480 0.000 2.039) 2.094 3.289 ( 12.303 0.000 -4.730) 13.181 3.378 ( -4.686 0.000 -2.366) 5.249 3.397 ( 1.386 0.000 -4.593) 4.798 3.401 ( 6.945 0.000 2.375) 7.340 3.586 ( 0.682 0.000 -1.537) 1.681 3.628 ( 3.117 0.000 -2.280) 3.862 3.635 ( -7.059 0.000 2.325) 7.432 3.692 ( -4.917 0.000 0.106) 4.918 3.833 ( 0.469 0.000 0.447) 0.648 3.882 ( -2.045 0.000 2.734) 3.414 3.883 ( -0.053 0.000 1.597) 1.598 3.934 ( -0.200 0.000 0.210) 0.290 3.968 ( -2.022 0.000 -6.615) 6.917 4.049 ( -0.592 0.000 -3.858) 3.903 4.095 ( -1.040 0.000 -0.073) 1.043 4.142 ( 2.558 0.000 3.700) 4.498 4.215 ( 5.569 0.000 0.111) 5.570 4.250 ( -5.366 0.000 4.617) 7.079 4.385 ( 2.424 0.000 0.291) 2.441 4.456 ( -0.551 0.000 3.483) 3.527 4.499 ( -4.746 0.000 -0.638) 4.789 4.594 ( -2.101 0.000 0.438) 2.147 4.664 ( 3.509 0.000 0.277) 3.520 4.747 ( -0.600 0.000 -3.638) 3.687 4.782 ( -1.965 0.000 -4.361) 4.783 4.848 ( -4.725 0.000 1.193) 4.873 4.929 ( 0.855 0.000 4.929) 5.003 5.023 ( -2.809 0.000 1.776) 3.323 5.075 ( 7.534 0.000 -2.021) 7.801 5.160 ( 5.935 0.000 2.767) 6.548 5.264 ( -0.669 0.000 -1.093) 1.281 5.307 ( -0.169 0.000 1.813) 1.821 5.353 ( -0.470 0.000 -2.272) 2.320 5.433 ( 2.916 0.000 -1.303) 3.193 5.479 ( -8.294 0.000 3.309) 8.930 5.518 ( 0.235 0.000 -0.834) 0.866 5.589 ( 6.382 0.000 2.900) 7.010 5.628 ( -6.977 0.000 -3.446) 7.782 5.758 ( -4.474 0.000 -0.063) 4.474 5.772 ( 1.457 0.000 -2.407) 2.814 5.899 ( -2.738 0.000 2.737) 3.871 5.930 ( -0.346 0.000 1.612) 1.649 5.962 ( -3.745 0.000 3.461) 5.099 6.075 ( 0.418 0.000 -0.524) 0.670 6.092 ( 6.058 0.000 3.706) 7.102 6.190 ( -4.083 0.000 -2.305) 4.689 6.311 ( -1.947 0.000 -0.552) 2.024 6.449 ( -0.637 0.000 -0.480) 0.798 6.521 ( 0.705 0.000 -1.927) 2.052 6.544 ( 1.551 0.000 3.063) 3.434 6.651 ( -2.264 0.000 -0.079) 2.265 6.693 ( 2.383 0.000 5.825) 6.294 6.764 ( 0.368 0.000 0.699) 0.789 6.777 ( 1.202 0.000 -0.741) 1.412 6.807 ( -4.584 0.000 1.700) 4.889 6.813 ( -4.262 0.000 4.211) 5.991 6.935 ( -0.982 0.000 0.933) 1.355 6.976 ( -1.492 0.000 -1.630) 2.210 7.091 ( 2.569 0.000 -5.407) 5.986 7.214 ( 1.540 0.000 -0.135) 1.546 7.257 ( -2.002 0.000 3.791) 4.287 7.341 ( -0.362 0.000 3.025) 3.047 7.372 ( 6.114 0.000 1.813) 6.377 7.409 ( 0.047 0.000 2.377) 2.378 7.455 ( -2.635 0.000 0.599) 2.703 7.585 ( -1.079 0.000 0.639) 1.254 7.796 ( 2.217 0.000 -0.743) 2.338 7.866 ( 4.830 0.000 -4.242) 6.428 7.889 ( 2.235 0.000 -2.119) 3.080 7.931 ( -3.251 0.000 0.657) 3.317 8.070 ( -3.938 0.000 1.518) 4.220 8.342 ( 0.627 0.000 0.042) 0.628 8.343 ( 5.318 0.000 -4.270) 6.820 8.455 ( 3.729 0.000 -7.715) 8.569 8.457 ( -2.284 0.000 -3.051) 3.811 8.556 ( -6.519 0.000 -1.448) 6.678 8.662 ( 0.744 0.000 -6.188) 6.233 8.671 ( 0.515 0.000 -0.876) 1.016 8.876 ( 2.044 0.000 -1.507) 2.540 8.926 ( 0.557 0.000 1.334) 1.446 8.946 ( 2.434 0.000 -4.655) 5.253 9.063 ( 2.422 0.000 1.868) 3.059 9.107 ( -2.327 0.000 7.093) 7.465 9.290 ( -1.252 0.000 6.747) 6.862 9.374 ( 0.692 0.000 1.555) 1.702 9.436 ( -3.012 0.000 1.245) 3.259 9.546 ( 1.074 0.000 0.037) 1.074 9.656 ( 4.365 0.000 1.419) 4.590 9.686 ( -2.129 0.000 -1.786) 2.779 9.741 ( -3.971 0.000 0.013) 3.971 9.750 ( -0.813 0.000 2.125) 2.275 9.828 ( -2.996 0.000 -0.599) 3.055 9.920 ( -1.252 0.000 -6.566) 6.684 10.031 ( 6.083 0.000 2.311) 6.507 10.063 ( 1.400 0.000 -1.563) 2.098 10.214 ( -1.709 0.000 -2.215) 2.797 10.277 ( 3.773 0.000 1.655) 4.120 10.305 ( -2.003 0.000 5.696) 6.038 10.433 ( 0.234 0.000 -0.038) 0.237 10.578 ( 4.208 0.000 -0.678) 4.262 10.620 ( 0.457 0.000 -2.183) 2.231 10.698 ( -5.542 0.000 5.596) 7.876 10.845 ( 2.537 0.000 1.409) 2.902 10.940 ( -0.588 0.000 0.038) 0.589 11.053 ( 3.194 0.000 -4.093) 5.191 11.181 ( -1.603 0.000 -3.756) 4.084 11.233 ( 0.460 0.000 0.591) 0.749 11.243 ( 1.861 0.000 4.018) 4.428 11.352 ( -1.978 0.000 1.843) 2.703 11.432 ( -2.919 0.000 -1.550) 3.305 11.542 ( 0.934 0.000 -3.281) 3.412 11.556 ( 0.138 0.000 4.333) 4.335 11.804 ( -5.085 0.000 3.718) 6.299 11.945 ( -2.103 0.000 -2.175) 3.025 11.983 ( -0.399 0.000 2.329) 2.363 12.076 ( -1.339 0.000 -0.034) 1.340 12.264 ( 2.856 0.000 -3.649) 4.634 12.275 ( 1.058 0.000 2.918) 3.104 12.423 ( -2.650 0.000 1.756) 3.179 12.691 ( -0.408 0.000 -2.922) 2.951 12.724 ( 2.937 0.000 -1.954) 3.527 12.799 ( 1.444 0.000 -0.338) 1.483 12.852 ( -1.239 0.000 4.181) 4.361 13.047 ( 1.473 0.000 -2.514) 2.914 13.103 ( 1.527 0.000 -1.963) 2.487 13.216 ( 2.769 0.000 0.271) 2.783 13.247 ( -0.163 0.000 -0.365) 0.400 14.513 ( 0.487 0.000 -0.806) 0.942 14.584 ( -4.413 0.000 0.206) 4.418 15.262 ( 2.618 0.000 2.070) 3.338 15.483 ( -2.985 0.000 2.215) 3.717 15.861 ( 2.013 0.000 -1.546) 2.538 15.870 ( 9.646 0.000 -4.869) 10.806 15.915 ( 3.591 0.000 -0.700) 3.659 16.091 ( -0.492 0.000 -0.623) 0.794 16.706 ( 5.006 0.000 -0.104) 5.007 16.828 ( 0.068 0.000 0.120) 0.138 16.843 ( 2.641 0.000 -0.299) 2.658 16.919 ( -3.123 0.000 -4.205) 5.238 16.997 ( -2.297 0.000 2.253) 3.217 17.054 ( 0.943 0.000 8.951) 9.001 17.160 ( -13.188 0.000 9.864) 16.469 17.413 ( 3.071 0.000 -1.407) 3.378 17.985 ( 0.806 0.000 2.115) 2.264 18.077 ( 0.096 0.000 1.182) 1.186 18.215 ( 0.920 0.000 1.552) 1.805 18.247 ( -0.122 0.000 -0.213) 0.246 18.315 ( -1.239 0.000 -0.721) 1.434 18.342 ( -1.184 0.000 1.366) 1.808 18.436 ( 0.635 0.000 -1.982) 2.081 18.502 ( -1.899 0.000 -2.048) 2.793 18.746 ( 1.173 0.000 0.072) 1.175 18.797 ( -1.766 0.000 0.810) 1.943 18.831 ( -0.465 0.000 -0.327) 0.568 18.930 ( 1.164 0.000 0.999) 1.534 18.997 ( 1.785 0.000 0.904) 2.001 19.145 ( 3.055 0.000 -0.321) 3.072 19.839 ( -2.842 0.000 -8.475) 8.939 19.847 ( -4.873 0.000 -5.622) 7.441 ======================= Grid point 39 (17/54) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( -15.185 0.000 2.782) 15.438 0.835 ( -7.457 0.000 -3.772) 8.357 0.921 ( 4.680 0.000 -0.796) 4.747 1.004 ( 5.246 0.000 0.786) 5.305 1.049 ( -2.632 0.000 1.952) 3.276 1.201 ( 0.191 0.000 3.781) 3.785 1.216 ( -1.082 0.000 1.431) 1.794 1.255 ( 1.166 0.000 3.195) 3.401 1.278 ( -0.683 0.000 -1.471) 1.622 1.316 ( 2.558 0.000 2.804) 3.795 1.361 ( 0.210 0.000 -3.182) 3.188 1.381 ( -4.244 0.000 0.670) 4.297 1.462 ( 4.762 0.000 -2.232) 5.259 1.475 ( -2.758 0.000 -3.970) 4.834 1.570 ( 2.164 0.000 -3.734) 4.316 1.578 ( -0.292 0.000 1.773) 1.797 1.650 ( -1.469 0.000 -1.289) 1.954 1.690 ( -1.013 0.000 -0.951) 1.390 1.712 ( -4.464 0.000 0.481) 4.490 1.787 ( -7.851 0.000 -5.393) 9.525 1.826 ( 2.785 0.000 -3.878) 4.775 1.861 ( 2.993 0.000 0.749) 3.086 1.967 ( 3.543 0.000 3.781) 5.182 1.968 ( -3.419 0.000 0.367) 3.439 2.055 ( 0.792 0.000 0.504) 0.939 2.119 ( 0.850 0.000 1.538) 1.757 2.182 ( -2.348 0.000 4.001) 4.639 2.184 ( -0.565 0.000 1.415) 1.524 2.258 ( 6.048 0.000 -1.572) 6.249 2.288 ( 2.532 0.000 -5.377) 5.943 2.356 ( -0.242 0.000 0.511) 0.565 2.415 ( -1.227 0.000 -0.150) 1.237 2.476 ( 2.406 0.000 1.243) 2.708 2.570 ( 0.893 0.000 -6.513) 6.574 2.613 ( -3.443 0.000 0.149) 3.446 2.660 ( -1.436 0.000 -1.841) 2.335 2.781 ( 2.633 0.000 2.420) 3.576 2.825 ( 0.162 0.000 0.338) 0.374 2.866 ( 0.933 0.000 -2.421) 2.595 2.891 ( -0.018 0.000 1.076) 1.076 3.051 ( 4.190 0.000 4.040) 5.820 3.104 ( -6.073 0.000 -3.015) 6.781 3.179 ( -2.821 0.000 0.938) 2.973 3.213 ( 1.423 0.000 1.343) 1.957 3.261 ( -4.487 0.000 -2.407) 5.092 3.308 ( -2.387 0.000 -5.496) 5.992 3.343 ( 2.456 0.000 1.633) 2.949 3.425 ( 9.662 0.000 -2.305) 9.933 3.523 ( 4.970 0.000 -0.445) 4.990 3.529 ( -7.776 0.000 0.312) 7.782 3.555 ( -0.587 0.000 -2.414) 2.484 3.602 ( -0.790 0.000 1.192) 1.430 3.671 ( 0.738 0.000 -0.381) 0.831 3.822 ( -3.977 0.000 1.713) 4.331 3.827 ( 3.132 0.000 -3.885) 4.990 3.875 ( -0.477 0.000 -0.060) 0.481 3.930 ( 0.504 0.000 -0.053) 0.507 3.977 ( 0.177 0.000 -0.279) 0.330 4.027 ( 4.466 0.000 -1.880) 4.845 4.080 ( 1.380 0.000 -2.165) 2.567 4.254 ( 0.107 0.000 5.386) 5.387 4.285 ( 5.405 0.000 6.621) 8.547 4.316 ( 2.316 0.000 0.846) 2.466 4.428 ( -2.710 0.000 -2.184) 3.480 4.461 ( 3.508 0.000 1.954) 4.016 4.493 ( -5.737 0.000 -1.978) 6.068 4.536 ( 0.751 0.000 1.146) 1.370 4.644 ( -1.858 0.000 -1.132) 2.176 4.665 ( 1.676 0.000 -1.795) 2.456 4.744 ( -1.113 0.000 0.458) 1.204 4.831 ( -2.953 0.000 2.995) 4.206 4.999 ( -2.839 0.000 0.979) 3.003 5.062 ( 5.130 0.000 4.542) 6.852 5.119 ( 3.990 0.000 -5.644) 6.912 5.173 ( -5.812 0.000 0.031) 5.812 5.260 ( -2.223 0.000 -4.301) 4.841 5.339 ( -2.444 0.000 0.437) 2.483 5.353 ( 6.215 0.000 2.867) 6.844 5.413 ( -2.355 0.000 2.400) 3.362 5.482 ( 2.700 0.000 0.527) 2.751 5.515 ( -0.519 0.000 -1.924) 1.993 5.523 ( 1.822 0.000 -1.347) 2.266 5.681 ( -1.683 0.000 -0.908) 1.913 5.729 ( -2.122 0.000 -3.108) 3.763 5.754 ( 5.184 0.000 4.961) 7.176 5.904 ( 0.816 0.000 0.807) 1.147 5.938 ( -2.536 0.000 2.914) 3.863 5.980 ( -4.184 0.000 7.716) 8.777 6.084 ( 2.301 0.000 -1.326) 2.656 6.128 ( -2.441 0.000 1.694) 2.971 6.229 ( 6.473 0.000 1.709) 6.695 6.253 ( -2.651 0.000 -2.163) 3.421 6.393 ( -1.922 0.000 -2.519) 3.169 6.505 ( -0.606 0.000 -1.081) 1.240 6.577 ( -7.023 0.000 4.802) 8.508 6.671 ( 4.176 0.000 0.282) 4.186 6.747 ( -3.405 0.000 -0.745) 3.485 6.779 ( -2.589 0.000 2.290) 3.457 6.784 ( 0.462 0.000 0.177) 0.494 6.814 ( 3.278 0.000 4.048) 5.209 6.819 ( -1.010 0.000 4.369) 4.485 6.940 ( 2.444 0.000 -3.083) 3.934 6.956 ( 1.049 0.000 1.469) 1.806 7.071 ( 4.015 0.000 -4.317) 5.895 7.293 ( -0.457 0.000 2.418) 2.460 7.296 ( 4.045 0.000 3.881) 5.605 7.380 ( -5.508 0.000 4.454) 7.083 7.405 ( -1.030 0.000 3.333) 3.489 7.430 ( -1.430 0.000 1.013) 1.752 7.493 ( 2.787 0.000 4.983) 5.709 7.645 ( 4.420 0.000 2.366) 5.014 7.795 ( -1.462 0.000 -1.121) 1.842 7.865 ( 3.258 0.000 -2.272) 3.972 7.916 ( 1.334 0.000 0.386) 1.388 7.925 ( 4.735 0.000 -4.879) 6.799 8.039 ( -0.987 0.000 1.171) 1.531 8.207 ( -7.921 0.000 -5.548) 9.671 8.285 ( -2.516 0.000 -8.277) 8.651 8.387 ( 1.238 0.000 -2.306) 2.618 8.463 ( 0.207 0.000 -3.849) 3.855 8.469 ( 6.840 0.000 -5.851) 9.001 8.573 ( 6.381 0.000 -11.054) 12.764 8.700 ( -1.115 0.000 3.609) 3.777 8.844 ( -2.779 0.000 0.277) 2.792 8.915 ( -2.692 0.000 -4.737) 5.449 8.924 ( 0.596 0.000 -1.911) 2.002 9.100 ( -2.686 0.000 5.234) 5.883 9.176 ( -2.044 0.000 6.260) 6.586 9.341 ( -3.208 0.000 2.280) 3.936 9.357 ( -4.478 0.000 6.040) 7.519 9.446 ( -0.512 0.000 2.150) 2.210 9.537 ( -3.083 0.000 -1.295) 3.344 9.616 ( 0.464 0.000 -3.365) 3.397 9.668 ( -4.193 0.000 2.155) 4.715 9.772 ( 6.105 0.000 -3.056) 6.827 9.804 ( 0.138 0.000 -0.131) 0.190 9.811 ( 2.241 0.000 2.148) 3.104 9.830 ( 1.162 0.000 1.967) 2.285 10.044 ( 1.439 0.000 -3.087) 3.405 10.114 ( 2.734 0.000 -5.078) 5.767 10.270 ( 5.995 0.000 5.653) 8.240 10.315 ( -6.395 0.000 4.490) 7.814 10.371 ( 6.135 0.000 0.803) 6.187 10.425 ( 0.648 0.000 -3.085) 3.152 10.586 ( -0.274 0.000 -2.426) 2.442 10.598 ( -0.488 0.000 0.379) 0.618 10.702 ( -6.090 0.000 6.683) 9.042 10.931 ( 1.661 0.000 5.891) 6.121 10.938 ( -7.061 0.000 -5.491) 8.945 10.971 ( 2.331 0.000 1.424) 2.732 11.137 ( 0.666 0.000 -0.945) 1.156 11.203 ( -3.295 0.000 -2.014) 3.862 11.303 ( -1.004 0.000 0.511) 1.126 11.312 ( -0.112 0.000 3.058) 3.060 11.445 ( -1.508 0.000 -0.008) 1.508 11.478 ( -0.843 0.000 -5.919) 5.978 11.635 ( 3.913 0.000 5.467) 6.723 11.716 ( -5.639 0.000 -1.409) 5.812 11.978 ( 5.718 0.000 0.559) 5.746 12.027 ( 2.396 0.000 0.008) 2.397 12.091 ( 1.620 0.000 2.997) 3.407 12.266 ( 3.838 0.000 -3.663) 5.306 12.358 ( 0.897 0.000 5.018) 5.098 12.419 ( -1.116 0.000 1.910) 2.212 12.581 ( -3.836 0.000 -3.616) 5.272 12.704 ( 0.174 0.000 -3.272) 3.277 12.815 ( -8.659 0.000 1.962) 8.878 12.877 ( 3.719 0.000 0.848) 3.815 13.034 ( 0.595 0.000 -2.121) 2.203 13.082 ( 0.683 0.000 -0.351) 0.768 13.241 ( -0.015 0.000 -0.729) 0.729 13.268 ( 1.317 0.000 -0.270) 1.344 14.486 ( -4.504 0.000 -2.225) 5.024 14.557 ( 5.014 0.000 0.824) 5.082 15.379 ( 3.734 0.000 5.675) 6.794 15.456 ( -3.021 0.000 -0.279) 3.033 15.708 ( -8.570 0.000 -3.572) 9.284 15.897 ( 2.440 0.000 -4.781) 5.368 16.011 ( -6.208 0.000 -2.316) 6.626 16.012 ( 1.758 0.000 1.122) 2.086 16.750 ( -5.753 0.000 -0.994) 5.838 16.797 ( 4.017 0.000 0.625) 4.065 16.863 ( 1.155 0.000 -1.897) 2.221 16.867 ( 2.849 0.000 -0.292) 2.864 17.018 ( -1.445 0.000 3.142) 3.458 17.094 ( -4.247 0.000 1.517) 4.510 17.183 ( -5.273 0.000 16.273) 17.106 17.617 ( 11.700 0.000 7.025) 13.647 18.020 ( -0.962 0.000 3.297) 3.434 18.086 ( -0.570 0.000 1.413) 1.523 18.220 ( -1.320 0.000 -2.642) 2.954 18.222 ( 1.516 0.000 -5.293) 5.506 18.285 ( -2.253 0.000 1.742) 2.848 18.356 ( -0.707 0.000 2.300) 2.406 18.434 ( 1.783 0.000 -2.746) 3.274 18.440 ( -1.833 0.000 -1.168) 2.174 18.744 ( -3.074 0.000 0.021) 3.074 18.752 ( -0.382 0.000 -0.406) 0.558 18.840 ( 1.781 0.000 0.371) 1.819 18.958 ( 0.574 0.000 -0.629) 0.852 19.076 ( 2.664 0.000 6.901) 7.397 19.190 ( -0.072 0.000 4.201) 4.202 19.686 ( 5.189 0.000 -16.871) 17.651 19.722 ( 2.880 0.000 -10.645) 11.028 ======================= Grid point 40 (18/54) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( -18.554 0.000 3.235) 18.833 0.582 ( -15.720 0.000 -4.248) 16.284 0.935 ( -13.966 0.000 -0.156) 13.967 1.003 ( 0.899 0.000 0.550) 1.054 1.088 ( 2.364 0.000 0.693) 2.463 1.197 ( -5.228 0.000 3.632) 6.365 1.248 ( -0.498 0.000 0.370) 0.620 1.260 ( 1.510 0.000 -3.400) 3.720 1.264 ( -3.065 0.000 -1.475) 3.401 1.312 ( 1.959 0.000 0.046) 1.959 1.355 ( -4.363 0.000 3.559) 5.630 1.372 ( -2.076 0.000 -1.017) 2.312 1.420 ( 5.314 0.000 2.303) 5.792 1.510 ( 5.890 0.000 -2.436) 6.374 1.526 ( -3.956 0.000 -3.680) 5.403 1.558 ( -2.006 0.000 -0.835) 2.173 1.605 ( -0.963 0.000 2.035) 2.252 1.641 ( -1.417 0.000 -0.902) 1.680 1.696 ( 2.346 0.000 0.089) 2.347 1.707 ( 2.823 0.000 -1.506) 3.200 1.832 ( 1.230 0.000 0.242) 1.254 1.842 ( -2.005 0.000 -1.694) 2.625 1.921 ( -1.017 0.000 -1.839) 2.102 2.077 ( 0.134 0.000 1.622) 1.627 2.095 ( -1.960 0.000 -0.422) 2.005 2.139 ( 5.875 0.000 5.040) 7.740 2.187 ( -1.145 0.000 -0.769) 1.379 2.232 ( 1.393 0.000 -1.094) 1.771 2.276 ( 0.732 0.000 2.830) 2.923 2.316 ( -0.706 0.000 -4.117) 4.177 2.362 ( 4.512 0.000 -2.398) 5.109 2.395 ( 0.044 0.000 5.145) 5.145 2.413 ( -0.990 0.000 -6.699) 6.772 2.535 ( 1.571 0.000 -2.665) 3.094 2.598 ( -3.026 0.000 5.244) 6.055 2.667 ( 0.939 0.000 0.221) 0.964 2.805 ( -3.053 0.000 -0.542) 3.101 2.853 ( 4.226 0.000 0.794) 4.299 2.862 ( -2.742 0.000 0.111) 2.745 2.909 ( -0.931 0.000 2.230) 2.416 2.944 ( -2.069 0.000 -5.411) 5.793 3.104 ( -3.419 0.000 -2.129) 4.028 3.144 ( -4.481 0.000 -0.629) 4.525 3.181 ( 1.473 0.000 -0.346) 1.513 3.185 ( -4.084 0.000 0.039) 4.084 3.279 ( 0.835 0.000 1.437) 1.662 3.390 ( 3.702 0.000 -1.435) 3.970 3.460 ( 0.747 0.000 -1.151) 1.372 3.502 ( 3.433 0.000 -0.601) 3.485 3.560 ( 6.544 0.000 -2.447) 6.986 3.577 ( 4.120 0.000 0.641) 4.170 3.671 ( -0.484 0.000 7.089) 7.106 3.689 ( 1.516 0.000 1.028) 1.831 3.781 ( -5.409 0.000 0.679) 5.452 3.802 ( -0.137 0.000 -1.235) 1.242 3.908 ( -2.590 0.000 -0.370) 2.616 3.942 ( 5.425 0.000 0.441) 5.443 3.997 ( 4.330 0.000 -0.138) 4.332 4.073 ( 2.560 0.000 -2.395) 3.505 4.094 ( 6.040 0.000 -0.863) 6.102 4.247 ( -4.864 0.000 -1.389) 5.059 4.297 ( -5.580 0.000 -6.980) 8.936 4.369 ( -1.495 0.000 -2.086) 2.567 4.412 ( 5.747 0.000 4.760) 7.463 4.437 ( 1.975 0.000 3.597) 4.104 4.538 ( 1.650 0.000 2.639) 3.113 4.582 ( 0.644 0.000 2.959) 3.029 4.690 ( 2.450 0.000 2.853) 3.760 4.693 ( 2.918 0.000 -4.864) 5.672 4.722 ( -0.363 0.000 0.366) 0.516 4.799 ( -3.831 0.000 0.764) 3.906 4.988 ( -0.755 0.000 2.146) 2.275 5.004 ( -3.865 0.000 -7.179) 8.153 5.119 ( -1.147 0.000 -1.078) 1.574 5.156 ( -1.145 0.000 3.262) 3.457 5.161 ( -0.976 0.000 -4.813) 4.911 5.321 ( -2.501 0.000 1.337) 2.836 5.395 ( -3.051 0.000 2.020) 3.659 5.419 ( 2.085 0.000 -1.410) 2.517 5.521 ( 1.253 0.000 -0.936) 1.564 5.540 ( 2.831 0.000 0.191) 2.838 5.561 ( 2.756 0.000 1.479) 3.128 5.646 ( -1.132 0.000 -3.087) 3.288 5.666 ( 2.359 0.000 -0.997) 2.561 5.865 ( -0.323 0.000 2.201) 2.225 5.926 ( 2.491 0.000 -2.241) 3.351 5.984 ( 0.060 0.000 7.874) 7.874 6.032 ( -2.082 0.000 5.054) 5.466 6.122 ( 3.492 0.000 0.330) 3.508 6.154 ( 3.107 0.000 0.995) 3.262 6.211 ( -3.127 0.000 4.859) 5.778 6.320 ( -2.389 0.000 -3.383) 4.142 6.352 ( 6.460 0.000 1.727) 6.686 6.474 ( -2.754 0.000 0.779) 2.862 6.519 ( -8.530 0.000 4.432) 9.613 6.667 ( -0.600 0.000 -4.913) 4.949 6.723 ( 3.512 0.000 -1.087) 3.676 6.781 ( -0.352 0.000 0.633) 0.724 6.799 ( -0.294 0.000 3.458) 3.471 6.882 ( 1.550 0.000 0.454) 1.615 6.930 ( 4.610 0.000 5.694) 7.326 6.965 ( 2.436 0.000 -0.012) 2.436 6.998 ( 1.959 0.000 0.990) 2.195 7.086 ( 3.208 0.000 -1.639) 3.602 7.249 ( -4.702 0.000 -4.404) 6.442 7.289 ( -5.537 0.000 -0.898) 5.609 7.360 ( -0.206 0.000 0.433) 0.480 7.439 ( -0.942 0.000 1.636) 1.888 7.490 ( -0.873 0.000 7.310) 7.362 7.588 ( -3.087 0.000 5.315) 6.146 7.704 ( -2.157 0.000 0.680) 2.262 7.776 ( 5.943 0.000 -3.365) 6.830 7.879 ( 2.027 0.000 -4.252) 4.711 7.902 ( 3.770 0.000 -0.732) 3.840 7.984 ( 5.699 0.000 1.052) 5.795 8.035 ( -3.093 0.000 -4.755) 5.672 8.095 ( 6.137 0.000 -0.223) 6.141 8.167 ( -3.291 0.000 0.144) 3.294 8.387 ( 2.473 0.000 -2.175) 3.293 8.455 ( 3.327 0.000 -1.494) 3.647 8.474 ( 4.007 0.000 -5.125) 6.505 8.560 ( 7.322 0.000 -6.052) 9.499 8.724 ( -0.559 0.000 2.062) 2.137 8.765 ( -7.747 0.000 -2.758) 8.223 8.804 ( -3.915 0.000 0.980) 4.036 8.913 ( -0.618 0.000 0.337) 0.703 9.128 ( -1.869 0.000 3.153) 3.666 9.193 ( -3.294 0.000 0.053) 3.295 9.293 ( -9.640 0.000 4.021) 10.445 9.333 ( -2.722 0.000 0.949) 2.883 9.460 ( -2.789 0.000 -1.225) 3.046 9.485 ( -0.604 0.000 4.638) 4.677 9.603 ( 0.259 0.000 -1.618) 1.639 9.656 ( -1.438 0.000 3.313) 3.612 9.786 ( 2.295 0.000 -2.873) 3.677 9.847 ( 3.716 0.000 4.238) 5.637 9.866 ( 2.419 0.000 -1.410) 2.800 9.953 ( 7.826 0.000 1.183) 7.915 10.029 ( 1.844 0.000 -3.984) 4.390 10.063 ( 1.099 0.000 -5.248) 5.362 10.250 ( -7.000 0.000 2.209) 7.340 10.376 ( 1.415 0.000 -4.898) 5.098 10.387 ( 1.530 0.000 2.348) 2.803 10.473 ( 6.568 0.000 -3.629) 7.504 10.558 ( -0.075 0.000 -0.883) 0.887 10.601 ( -1.328 0.000 1.639) 2.110 10.729 ( -3.054 0.000 11.290) 11.696 10.744 ( -9.573 0.000 -3.188) 10.089 11.023 ( 2.041 0.000 -0.006) 2.041 11.057 ( 0.225 0.000 9.937) 9.939 11.113 ( -3.202 0.000 -1.816) 3.681 11.132 ( -1.457 0.000 -2.042) 2.509 11.307 ( -2.499 0.000 1.562) 2.947 11.318 ( -3.682 0.000 2.490) 4.445 11.380 ( -0.746 0.000 -3.862) 3.933 11.405 ( -0.516 0.000 -0.682) 0.855 11.651 ( 0.714 0.000 -1.838) 1.971 11.793 ( 4.208 0.000 5.445) 6.881 12.074 ( 6.638 0.000 -1.704) 6.853 12.080 ( 6.256 0.000 -0.490) 6.275 12.174 ( 2.519 0.000 2.742) 3.724 12.272 ( 4.338 0.000 -4.394) 6.175 12.414 ( -0.022 0.000 1.627) 1.627 12.438 ( 0.003 0.000 1.256) 1.256 12.508 ( -3.381 0.000 1.230) 3.598 12.663 ( -2.832 0.000 -1.157) 3.059 12.686 ( -7.570 0.000 0.669) 7.599 12.908 ( -0.424 0.000 0.614) 0.746 13.008 ( -0.364 0.000 -1.034) 1.096 13.119 ( 2.528 0.000 0.624) 2.604 13.201 ( -2.823 0.000 -2.552) 3.806 13.231 ( -2.194 0.000 -2.841) 3.590 14.428 ( -1.367 0.000 0.605) 1.495 14.677 ( 7.997 0.000 1.469) 8.131 15.354 ( -6.351 0.000 -3.955) 7.481 15.497 ( 0.546 0.000 6.714) 6.736 15.580 ( -5.480 0.000 1.281) 5.627 15.815 ( -5.110 0.000 -2.515) 5.696 15.882 ( -4.063 0.000 -4.123) 5.789 15.997 ( -4.072 0.000 0.537) 4.107 16.666 ( -6.660 0.000 0.842) 6.713 16.828 ( 0.467 0.000 0.749) 0.883 16.854 ( 1.140 0.000 -2.462) 2.713 16.939 ( 6.597 0.000 -1.688) 6.809 17.048 ( -1.562 0.000 0.290) 1.588 17.055 ( 0.102 0.000 4.255) 4.257 17.449 ( -0.967 0.000 27.677) 27.694 17.833 ( 11.851 0.000 -2.784) 12.173 18.061 ( -0.533 0.000 4.558) 4.589 18.099 ( 0.021 0.000 0.307) 0.307 18.130 ( -2.817 0.000 -4.927) 5.676 18.156 ( 1.212 0.000 -4.039) 4.217 18.310 ( -1.492 0.000 4.585) 4.822 18.373 ( -1.934 0.000 -0.011) 1.934 18.388 ( -0.034 0.000 -1.683) 1.683 18.403 ( -2.218 0.000 -0.395) 2.253 18.720 ( -2.786 0.000 -0.515) 2.834 18.745 ( 0.345 0.000 2.279) 2.305 18.896 ( 3.608 0.000 0.886) 3.715 18.928 ( 0.145 0.000 -3.607) 3.610 19.274 ( 4.149 0.000 13.091) 13.733 19.281 ( -1.833 0.000 12.262) 12.398 19.459 ( 7.946 0.000 -33.899) 34.818 19.605 ( 3.701 0.000 -13.852) 14.338 ======================= Grid point 41 (19/54) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.306 ( -19.368 0.000 1.221) 19.406 0.315 ( -17.461 0.000 6.755) 18.722 0.587 ( -30.991 0.000 13.079) 33.638 1.065 ( 2.169 0.000 1.462) 2.616 1.096 ( 0.857 0.000 -2.403) 2.551 1.196 ( -2.565 0.000 4.883) 5.516 1.222 ( 0.930 0.000 -2.621) 2.781 1.226 ( -0.451 0.000 -0.222) 0.502 1.264 ( 1.007 0.000 1.099) 1.491 1.309 ( -4.428 0.000 -0.056) 4.428 1.338 ( -3.797 0.000 3.088) 4.894 1.358 ( 3.072 0.000 -0.653) 3.140 1.482 ( 1.582 0.000 -0.521) 1.665 1.498 ( -4.087 0.000 1.131) 4.241 1.527 ( 3.827 0.000 0.680) 3.887 1.575 ( 2.396 0.000 -0.977) 2.588 1.626 ( 1.466 0.000 0.756) 1.649 1.639 ( 2.404 0.000 -0.234) 2.415 1.727 ( 1.925 0.000 -1.155) 2.245 1.728 ( -0.936 0.000 0.684) 1.159 1.802 ( -1.026 0.000 0.794) 1.297 1.850 ( -0.862 0.000 0.831) 1.197 1.913 ( 4.018 0.000 -1.499) 4.289 2.064 ( -1.628 0.000 -0.189) 1.639 2.073 ( -2.860 0.000 -4.873) 5.651 2.099 ( 0.588 0.000 -2.636) 2.701 2.218 ( 2.003 0.000 -1.883) 2.749 2.232 ( -0.510 0.000 1.328) 1.422 2.259 ( -3.646 0.000 2.460) 4.398 2.291 ( 0.792 0.000 -5.139) 5.200 2.358 ( 2.085 0.000 -4.826) 5.257 2.370 ( 3.824 0.000 -1.779) 4.218 2.522 ( 0.786 0.000 4.806) 4.870 2.524 ( 0.238 0.000 -0.032) 0.240 2.674 ( -1.224 0.000 1.552) 1.976 2.692 ( -5.420 0.000 2.911) 6.152 2.741 ( -0.126 0.000 4.606) 4.607 2.801 ( 1.590 0.000 11.247) 11.359 2.901 ( -0.293 0.000 -1.050) 1.090 2.941 ( 2.688 0.000 1.074) 2.894 2.965 ( 2.751 0.000 0.398) 2.779 3.033 ( -1.313 0.000 -3.092) 3.359 3.035 ( -5.179 0.000 -1.248) 5.328 3.141 ( -3.490 0.000 2.317) 4.190 3.215 ( 1.646 0.000 0.206) 1.659 3.272 ( 0.468 0.000 -1.353) 1.431 3.405 ( 4.203 0.000 -6.861) 8.046 3.500 ( 3.906 0.000 -0.660) 3.961 3.563 ( 3.975 0.000 0.048) 3.975 3.615 ( 4.088 0.000 -2.278) 4.680 3.629 ( 1.825 0.000 -1.004) 2.083 3.681 ( -4.517 0.000 -0.820) 4.591 3.731 ( -0.980 0.000 -3.481) 3.616 3.753 ( -1.308 0.000 3.441) 3.681 3.779 ( -1.961 0.000 -0.772) 2.108 3.863 ( -1.426 0.000 -0.823) 1.646 3.995 ( 1.533 0.000 -0.276) 1.557 4.086 ( 3.531 0.000 -5.207) 6.292 4.105 ( 3.149 0.000 0.317) 3.165 4.155 ( 2.480 0.000 3.312) 4.138 4.180 ( -1.607 0.000 -0.777) 1.785 4.227 ( 6.188 0.000 1.769) 6.436 4.289 ( -4.572 0.000 -3.282) 5.628 4.450 ( 0.178 0.000 -1.936) 1.944 4.515 ( -4.392 0.000 -0.397) 4.410 4.578 ( -0.257 0.000 0.575) 0.630 4.582 ( 1.944 0.000 3.312) 3.840 4.628 ( -2.369 0.000 2.691) 3.585 4.715 ( 1.633 0.000 0.593) 1.737 4.728 ( 0.337 0.000 -0.290) 0.444 4.806 ( 1.411 0.000 -0.048) 1.412 4.906 ( -1.238 0.000 0.786) 1.466 5.031 ( 0.879 0.000 3.085) 3.208 5.086 ( -1.147 0.000 -0.530) 1.263 5.116 ( 0.661 0.000 -0.633) 0.915 5.172 ( -4.728 0.000 0.775) 4.791 5.230 ( -1.530 0.000 -4.446) 4.702 5.348 ( -7.295 0.000 2.962) 7.873 5.458 ( 3.333 0.000 -0.204) 3.339 5.514 ( 1.024 0.000 -2.246) 2.468 5.550 ( -1.267 0.000 -1.121) 1.692 5.582 ( 2.495 0.000 1.127) 2.738 5.704 ( 2.162 0.000 0.135) 2.166 5.714 ( 5.677 0.000 3.770) 6.814 5.843 ( -3.435 0.000 0.997) 3.577 5.913 ( 2.267 0.000 -4.053) 4.644 6.060 ( 0.438 0.000 1.098) 1.182 6.079 ( -0.704 0.000 3.062) 3.142 6.139 ( 2.525 0.000 -4.737) 5.368 6.219 ( 3.763 0.000 -0.552) 3.804 6.227 ( -0.738 0.000 -1.877) 2.016 6.342 ( -1.656 0.000 7.528) 7.708 6.420 ( 0.021 0.000 -1.183) 1.183 6.477 ( -3.754 0.000 9.531) 10.244 6.485 ( 1.587 0.000 3.278) 3.642 6.621 ( 4.216 0.000 -4.130) 5.901 6.751 ( 1.759 0.000 0.403) 1.804 6.774 ( 0.143 0.000 -1.862) 1.867 6.855 ( -2.463 0.000 -3.349) 4.157 6.872 ( 1.685 0.000 3.151) 3.573 6.981 ( -1.690 0.000 2.758) 3.234 7.017 ( -0.160 0.000 -1.490) 1.499 7.110 ( 8.612 0.000 4.550) 9.740 7.112 ( 1.883 0.000 -4.080) 4.494 7.144 ( 0.820 0.000 -0.406) 0.916 7.231 ( -1.231 0.000 0.112) 1.236 7.339 ( -1.756 0.000 -1.740) 2.472 7.415 ( -3.599 0.000 -0.177) 3.604 7.480 ( -7.296 0.000 -4.693) 8.675 7.511 ( -2.535 0.000 -0.725) 2.637 7.671 ( 0.054 0.000 -0.879) 0.881 7.786 ( -2.530 0.000 -20.972) 21.124 7.846 ( 4.220 0.000 0.612) 4.264 7.920 ( 3.694 0.000 -2.374) 4.392 8.041 ( 0.363 0.000 1.862) 1.897 8.056 ( -0.352 0.000 2.500) 2.524 8.205 ( 4.816 0.000 1.314) 4.992 8.253 ( 9.134 0.000 6.199) 11.039 8.388 ( 1.856 0.000 -2.229) 2.901 8.427 ( -3.442 0.000 -2.108) 4.036 8.499 ( 0.066 0.000 2.278) 2.279 8.630 ( -8.211 0.000 1.565) 8.359 8.678 ( 11.981 0.000 6.707) 13.730 8.743 ( 2.805 0.000 -3.773) 4.701 8.773 ( -1.421 0.000 1.598) 2.139 8.916 ( -1.435 0.000 2.633) 2.999 9.044 ( -10.137 0.000 -4.095) 10.933 9.137 ( -0.705 0.000 1.602) 1.750 9.286 ( -1.547 0.000 6.938) 7.109 9.295 ( -2.198 0.000 -0.131) 2.202 9.416 ( -2.751 0.000 1.304) 3.045 9.505 ( -3.669 0.000 2.378) 4.372 9.581 ( -1.176 0.000 -0.533) 1.291 9.722 ( -0.145 0.000 2.437) 2.441 9.772 ( 3.256 0.000 -2.255) 3.960 9.884 ( 0.271 0.000 0.565) 0.627 9.959 ( 1.441 0.000 -5.889) 6.063 9.972 ( 6.079 0.000 0.002) 6.079 9.975 ( 1.756 0.000 -4.621) 4.944 10.087 ( 3.959 0.000 1.591) 4.267 10.203 ( -2.100 0.000 1.249) 2.444 10.335 ( -7.203 0.000 -4.983) 8.759 10.351 ( 1.916 0.000 -2.233) 2.942 10.498 ( 3.229 0.000 2.085) 3.844 10.530 ( -1.201 0.000 -4.619) 4.772 10.611 ( -0.369 0.000 0.193) 0.417 10.613 ( -4.851 0.000 3.847) 6.192 10.915 ( 5.017 0.000 7.239) 8.807 10.998 ( -0.188 0.000 -3.120) 3.126 11.012 ( -3.064 0.000 -5.677) 6.452 11.106 ( -0.054 0.000 2.131) 2.132 11.192 ( 1.100 0.000 3.110) 3.298 11.266 ( -1.974 0.000 -0.902) 2.170 11.326 ( -1.442 0.000 5.316) 5.508 11.373 ( -0.763 0.000 3.594) 3.674 11.420 ( 0.070 0.000 1.913) 1.914 11.696 ( 3.903 0.000 0.409) 3.924 11.873 ( 0.166 0.000 1.580) 1.589 12.118 ( 3.811 0.000 -2.064) 4.334 12.166 ( 6.005 0.000 -1.867) 6.289 12.235 ( 2.494 0.000 1.217) 2.775 12.278 ( 3.121 0.000 -2.615) 4.072 12.395 ( -3.827 0.000 -6.241) 7.321 12.414 ( -0.391 0.000 -0.226) 0.452 12.494 ( -3.967 0.000 3.433) 5.246 12.561 ( -3.665 0.000 0.350) 3.682 12.705 ( 1.411 0.000 3.426) 3.705 12.891 ( -1.293 0.000 -0.813) 1.527 12.966 ( -4.624 0.000 -6.110) 7.662 13.102 ( -3.317 0.000 -1.049) 3.479 13.134 ( 1.710 0.000 -3.709) 4.084 13.184 ( -1.561 0.000 1.979) 2.521 14.438 ( -0.410 0.000 1.493) 1.548 14.803 ( 5.665 0.000 -0.035) 5.665 15.214 ( -4.258 0.000 -2.322) 4.850 15.546 ( -2.216 0.000 1.179) 2.510 15.623 ( -2.585 0.000 5.658) 6.221 15.729 ( 2.349 0.000 -0.084) 2.350 15.771 ( -3.290 0.000 -3.582) 4.864 15.937 ( -4.204 0.000 0.654) 4.255 16.558 ( -5.957 0.000 -0.878) 6.022 16.834 ( -1.046 0.000 -0.271) 1.081 16.844 ( 0.793 0.000 -0.631) 1.013 16.948 ( -2.135 0.000 -11.016) 11.221 17.059 ( 0.826 0.000 0.975) 1.278 17.120 ( 0.054 0.000 3.787) 3.787 17.596 ( -8.365 0.000 -30.253) 31.388 17.917 ( 10.041 0.000 -8.014) 12.847 18.091 ( 0.510 0.000 -2.939) 2.983 18.112 ( 0.196 0.000 1.258) 1.273 18.157 ( 0.489 0.000 2.515) 2.562 18.264 ( 11.410 0.000 22.514) 25.241 18.327 ( -0.560 0.000 -0.778) 0.959 18.348 ( -0.412 0.000 -1.333) 1.395 18.365 ( -2.780 0.000 3.631) 4.573 18.402 ( -0.619 0.000 2.235) 2.319 18.670 ( -4.094 0.000 2.110) 4.606 18.773 ( -8.322 0.000 -22.480) 23.971 18.786 ( -0.300 0.000 -0.126) 0.326 18.945 ( -6.626 0.000 -6.672) 9.403 18.947 ( 2.741 0.000 -1.099) 2.953 19.401 ( 0.619 0.000 -12.143) 12.159 19.580 ( 4.299 0.000 12.964) 13.658 19.676 ( 19.015 0.000 44.400) 48.301 ======================= Grid point 42 (20/54) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( -2.814 10.211 9.995) 14.563 0.543 ( -2.338 12.306 11.614) 17.081 0.730 ( -0.445 11.660 11.542) 16.413 0.974 ( -4.251 -6.126 0.369) 7.466 1.034 ( 4.777 -4.420 -0.453) 6.524 1.145 ( 0.664 -4.377 0.664) 4.477 1.188 ( 0.960 -2.166 0.303) 2.388 1.244 ( -2.887 -0.998 3.583) 4.709 1.265 ( 2.692 -1.329 0.560) 3.054 1.288 ( -1.214 -1.555 3.248) 3.801 1.344 ( -2.597 1.581 0.217) 3.048 1.384 ( 2.036 -1.281 -1.109) 2.649 1.445 ( -5.345 0.774 0.558) 5.430 1.526 ( -1.283 -0.673 -2.307) 2.724 1.561 ( 3.033 2.563 1.029) 4.102 1.604 ( -0.447 0.748 0.350) 0.939 1.631 ( -0.101 -1.312 1.796) 2.227 1.637 ( 1.259 -2.234 -0.914) 2.723 1.690 ( -2.469 -0.629 2.762) 3.758 1.774 ( 2.502 3.008 -0.506) 3.945 1.799 ( 0.147 -2.184 1.984) 2.954 1.917 ( 3.627 0.054 -4.336) 5.653 1.971 ( 3.297 0.469 -0.743) 3.412 1.995 ( -2.074 -0.211 -0.973) 2.301 2.035 ( -2.643 -1.010 0.523) 2.877 2.066 ( 3.986 -0.374 -4.438) 5.977 2.220 ( -1.440 4.021 -2.517) 4.957 2.261 ( -1.915 1.766 0.213) 2.614 2.286 ( 3.823 0.921 -2.962) 4.923 2.292 ( 3.896 2.519 0.392) 4.656 2.362 ( 0.642 0.494 -2.145) 2.292 2.446 ( 5.448 1.656 -3.695) 6.788 2.487 ( -5.896 0.743 5.099) 7.830 2.539 ( -2.133 1.421 0.833) 2.695 2.625 ( -5.132 -4.451 3.834) 7.801 2.663 ( 2.025 -0.147 1.090) 2.305 2.720 ( -0.061 -5.344 -3.354) 6.309 2.796 ( 0.342 0.863 2.074) 2.272 2.881 ( -1.517 -2.695 -1.377) 3.385 2.910 ( -2.731 0.490 -1.445) 3.128 2.930 ( 0.910 -0.150 -2.235) 2.418 2.957 ( 1.561 -3.056 0.526) 3.472 3.103 ( -2.703 -5.396 -0.227) 6.039 3.135 ( 0.298 -4.325 0.529) 4.368 3.187 ( 2.194 1.836 3.180) 4.278 3.258 ( 2.781 3.050 2.686) 4.925 3.302 ( 2.937 -2.394 2.317) 4.441 3.489 ( -0.515 -0.979 0.679) 1.298 3.545 ( -2.358 -0.964 -0.134) 2.551 3.606 ( 1.294 -0.716 -0.825) 1.694 3.634 ( -2.260 1.786 -1.019) 3.056 3.667 ( 2.149 0.295 -2.607) 3.391 3.709 ( -1.611 3.247 -2.649) 4.489 3.744 ( 0.431 0.736 -0.443) 0.962 3.796 ( -0.142 1.592 0.263) 1.620 3.851 ( -1.385 2.097 1.203) 2.787 3.960 ( -1.466 -3.799 3.294) 5.237 4.016 ( -0.914 -1.894 0.137) 2.107 4.130 ( -3.238 -1.144 1.719) 3.841 4.157 ( -1.280 -0.792 -1.342) 2.016 4.233 ( 0.675 2.488 0.951) 2.748 4.248 ( 2.213 1.877 -2.745) 3.994 4.287 ( 4.561 -0.643 4.516) 6.451 4.420 ( -1.017 1.065 -3.066) 3.401 4.441 ( -2.332 -3.232 -0.408) 4.006 4.542 ( 1.438 -2.974 -1.596) 3.669 4.597 ( -1.042 -1.498 -4.708) 5.049 4.687 ( -2.647 -1.790 -0.088) 3.197 4.713 ( 2.329 -2.145 1.949) 3.718 4.755 ( 0.600 -0.911 1.105) 1.553 4.915 ( 2.467 -2.653 3.631) 5.129 4.971 ( 2.035 -0.646 0.680) 2.240 5.068 ( 0.601 2.448 -0.184) 2.528 5.099 ( -1.805 2.609 -0.390) 3.197 5.112 ( 0.696 2.709 -0.280) 2.811 5.219 ( 1.444 0.638 0.471) 1.648 5.261 ( 2.431 -0.192 5.965) 6.444 5.343 ( -3.821 4.024 2.256) 5.990 5.426 ( 3.276 -2.864 -1.813) 4.713 5.490 ( -2.087 -1.469 0.796) 2.673 5.525 ( 2.468 -0.561 -1.245) 2.821 5.660 ( -0.523 -2.766 0.775) 2.920 5.736 ( -1.276 2.906 2.414) 3.988 5.834 ( 0.342 2.885 -4.672) 5.502 5.879 ( -0.653 -0.709 -2.464) 2.646 5.890 ( -1.721 1.209 3.864) 4.399 5.932 ( -4.770 -2.708 1.128) 5.600 6.030 ( 1.465 -3.461 -0.537) 3.797 6.087 ( 1.770 0.226 -4.109) 4.480 6.194 ( -5.650 0.306 2.064) 6.023 6.286 ( 2.226 -0.245 -0.401) 2.275 6.310 ( -1.625 -2.920 2.822) 4.374 6.377 ( -0.505 0.701 -2.076) 2.248 6.505 ( 1.258 -2.950 0.332) 3.224 6.557 ( 2.607 4.390 -1.015) 5.206 6.654 ( -2.705 -0.186 -0.316) 2.730 6.710 ( -1.822 -1.144 -1.544) 2.648 6.738 ( -2.563 -1.255 -1.272) 3.124 6.800 ( -0.233 3.447 -2.222) 4.108 6.861 ( -0.645 2.198 -1.153) 2.564 6.999 ( 1.405 -2.018 3.307) 4.121 7.021 ( 0.050 4.489 -4.102) 6.081 7.063 ( -1.513 -2.071 -4.296) 5.003 7.102 ( 0.472 4.155 -4.881) 6.428 7.193 ( -0.269 -2.720 -1.335) 3.042 7.243 ( 1.367 -1.553 -2.348) 3.130 7.280 ( -3.691 1.646 1.595) 4.345 7.354 ( 2.002 1.985 -0.910) 2.962 7.491 ( -0.243 4.254 -0.828) 4.341 7.506 ( 4.664 1.976 -2.503) 5.650 7.629 ( 4.396 2.327 3.265) 5.950 7.727 ( -3.745 2.009 -0.438) 4.272 7.904 ( 0.132 0.262 -0.292) 0.414 7.974 ( 1.643 2.791 3.069) 4.462 8.054 ( -1.158 1.325 1.170) 2.113 8.143 ( 1.155 3.019 1.023) 3.391 8.176 ( -1.007 -5.086 2.403) 5.714 8.303 ( 0.092 -1.954 -1.655) 2.563 8.371 ( 0.170 -0.062 0.807) 0.827 8.404 ( 5.418 -0.107 -1.703) 5.680 8.451 ( -0.888 -5.953 -0.178) 6.021 8.559 ( -5.491 -1.642 3.019) 6.478 8.660 ( 6.574 -0.347 -4.390) 7.912 8.815 ( -2.158 -3.160 1.526) 4.119 8.860 ( -4.476 3.383 -1.116) 5.720 8.898 ( 1.613 -0.547 0.565) 1.795 9.003 ( 3.139 -4.432 2.460) 5.962 9.126 ( -2.954 0.237 3.068) 4.266 9.223 ( -1.876 -4.555 4.931) 6.970 9.317 ( -1.600 -2.380 0.110) 2.870 9.437 ( -3.550 -0.382 -0.075) 3.571 9.478 ( 3.505 0.305 0.009) 3.518 9.594 ( 1.442 2.885 0.761) 3.314 9.676 ( -2.814 2.330 -0.907) 3.764 9.776 ( 1.538 -2.224 0.805) 2.821 9.853 ( 0.811 0.999 -0.579) 1.411 9.960 ( 1.078 -0.729 -4.982) 5.149 10.017 ( 0.608 -0.035 -0.598) 0.853 10.056 ( 2.181 0.417 -0.863) 2.383 10.122 ( -5.395 1.259 -0.589) 5.571 10.223 ( 4.832 1.248 0.733) 5.044 10.255 ( 2.065 -0.280 0.136) 2.088 10.346 ( 1.285 1.446 -2.624) 3.260 10.485 ( -0.139 2.066 -0.623) 2.162 10.532 ( -5.288 -1.177 0.345) 5.428 10.601 ( -0.342 3.949 -3.591) 5.348 10.723 ( 0.670 4.439 0.118) 4.491 10.842 ( -3.495 -2.749 -4.337) 6.212 10.920 ( -1.677 1.868 -0.169) 2.516 11.027 ( 3.788 0.872 -1.699) 4.242 11.057 ( 3.135 -1.494 0.677) 3.538 11.143 ( -5.500 -2.494 -1.765) 6.291 11.288 ( 0.779 2.324 2.251) 3.327 11.347 ( -5.383 4.030 -0.602) 6.751 11.443 ( 1.007 1.755 3.300) 3.871 11.478 ( 0.028 1.694 1.725) 2.418 11.737 ( 1.182 5.031 2.416) 5.705 11.884 ( -2.155 2.789 -1.277) 3.748 12.150 ( -1.404 -5.975 -0.409) 6.151 12.176 ( 1.071 0.418 -5.041) 5.171 12.240 ( 6.038 0.491 -3.855) 7.180 12.303 ( -0.350 -0.721 -1.208) 1.450 12.332 ( -0.106 -3.059 2.367) 3.870 12.388 ( 3.693 -1.956 0.204) 4.185 12.481 ( -0.219 0.280 2.059) 2.089 12.546 ( -0.506 1.389 0.889) 1.725 12.618 ( -7.377 -0.257 6.826) 10.054 12.799 ( 1.100 -4.216 -0.942) 4.458 12.914 ( 3.058 -0.626 1.643) 3.527 13.066 ( 0.784 -3.810 0.530) 3.926 13.147 ( -0.072 1.706 -1.673) 2.390 13.267 ( 1.211 2.264 -0.368) 2.594 14.527 ( -0.584 4.548 4.015) 6.095 14.820 ( -0.186 -1.502 -1.203) 1.934 15.249 ( 3.326 1.998 -1.777) 4.268 15.304 ( -5.031 -1.028 -0.770) 5.192 15.674 ( -0.444 6.517 -5.682) 8.658 15.706 ( -1.551 1.843 -2.857) 3.737 15.856 ( 1.759 0.124 0.941) 1.999 15.904 ( -0.137 -0.048 -0.040) 0.150 16.516 ( 0.194 0.550 0.388) 0.700 16.618 ( 0.126 -1.217 -0.961) 1.555 16.830 ( -0.572 -0.023 0.168) 0.597 16.864 ( 0.339 0.122 0.382) 0.525 17.069 ( -0.672 0.194 0.654) 0.958 17.171 ( -3.634 -2.289 1.067) 4.426 17.311 ( 0.077 8.061 4.920) 9.444 17.919 ( 5.562 -2.268 -5.858) 8.390 18.047 ( 1.763 0.033 -2.574) 3.120 18.098 ( -1.440 -1.280 -1.008) 2.175 18.165 ( 0.620 -0.154 -0.604) 0.879 18.191 ( -2.567 -0.045 2.031) 3.273 18.297 ( -5.414 -0.391 1.028) 5.525 18.319 ( 1.079 -1.602 1.748) 2.605 18.414 ( 2.692 1.862 2.638) 4.203 18.444 ( -1.205 1.433 1.238) 2.245 18.549 ( 1.043 -3.063 2.788) 4.271 18.754 ( -0.401 -1.463 -4.751) 4.988 18.832 ( -0.239 -6.109 -0.863) 6.175 18.913 ( 0.716 -1.725 0.723) 2.003 19.015 ( 1.953 0.992 -2.943) 3.669 19.176 ( -1.125 -1.776 -7.617) 7.901 19.846 ( 0.119 5.276 15.134) 16.028 20.409 ( 2.172 -3.308 -3.316) 5.163 ======================= Grid point 43 (21/54) ======================= q-point: ( 0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( -0.663 3.385 9.746) 10.339 0.692 ( 2.111 2.407 10.286) 10.773 0.876 ( 4.801 -1.723 -0.837) 5.169 0.985 ( -0.036 3.669 4.771) 6.019 1.063 ( 2.828 3.143 -3.018) 5.194 1.170 ( -0.691 -3.857 0.239) 3.926 1.195 ( -0.991 -2.443 0.269) 2.650 1.259 ( -1.271 -3.751 3.948) 5.592 1.276 ( -4.884 -0.208 -1.327) 5.065 1.349 ( 1.233 -1.167 1.250) 2.108 1.360 ( 1.545 -1.917 3.400) 4.198 1.374 ( 0.345 1.236 3.754) 3.967 1.399 ( 2.485 -2.804 -2.034) 4.263 1.456 ( -2.085 -0.246 -0.967) 2.311 1.584 ( -0.670 -0.176 -0.965) 1.188 1.601 ( 0.661 0.169 -0.195) 0.710 1.649 ( 1.548 1.407 0.755) 2.224 1.670 ( 0.420 1.443 3.048) 3.398 1.674 ( -3.270 -1.056 1.698) 3.833 1.788 ( 0.491 3.336 -0.751) 3.455 1.850 ( -0.465 -2.356 3.907) 4.586 1.917 ( 1.552 -0.531 -2.463) 2.960 1.956 ( 1.239 -1.856 -2.428) 3.298 1.983 ( 0.684 3.386 0.400) 3.478 2.020 ( 0.547 -0.879 -2.203) 2.434 2.069 ( 4.793 -0.742 -6.116) 7.806 2.147 ( -2.198 3.157 -2.504) 4.590 2.234 ( -1.638 1.020 0.966) 2.158 2.256 ( 0.041 3.227 -1.003) 3.379 2.330 ( -0.948 0.692 -1.253) 1.717 2.398 ( 0.135 0.866 -1.840) 2.038 2.461 ( 1.941 -0.116 0.510) 2.010 2.505 ( -1.322 1.035 -0.991) 1.950 2.539 ( 5.399 0.382 1.296) 5.566 2.580 ( -2.201 -2.042 2.213) 3.730 2.721 ( 2.926 -2.351 1.511) 4.047 2.738 ( 1.689 -2.281 2.462) 3.757 2.790 ( -0.565 -3.419 -0.845) 3.567 2.874 ( 0.088 -0.627 -0.758) 0.988 2.907 ( 2.964 1.568 0.104) 3.355 2.948 ( 5.869 0.520 -1.211) 6.015 3.001 ( 3.131 -3.522 -2.062) 5.144 3.039 ( -2.554 -2.828 0.479) 3.840 3.112 ( -0.876 -2.597 0.810) 2.858 3.289 ( -0.180 2.834 -0.123) 2.842 3.306 ( -0.190 -0.834 4.121) 4.209 3.365 ( 3.628 -3.338 -0.747) 4.987 3.434 ( -3.746 0.559 -2.481) 4.528 3.510 ( -3.991 0.039 1.175) 4.160 3.539 ( -3.701 0.225 -1.010) 3.843 3.604 ( -2.064 2.799 -2.187) 4.108 3.661 ( -1.225 -1.724 1.219) 2.441 3.690 ( 3.885 -0.194 -1.425) 4.143 3.738 ( 3.241 0.225 -1.635) 3.637 3.831 ( -1.691 2.090 2.361) 3.578 3.873 ( 3.317 2.704 2.478) 4.945 3.978 ( -4.669 -5.007 2.596) 7.322 4.022 ( -1.017 0.623 0.762) 1.415 4.075 ( -3.046 -1.843 -1.285) 3.785 4.117 ( -1.512 -2.476 2.370) 3.746 4.207 ( -1.673 2.361 -1.507) 3.262 4.272 ( -0.601 0.433 -3.403) 3.483 4.382 ( -1.993 -0.883 -0.951) 2.378 4.398 ( 3.928 -0.232 3.177) 5.057 4.427 ( 4.669 2.603 1.041) 5.446 4.514 ( 1.081 -1.532 -5.547) 5.855 4.563 ( -1.975 -5.398 -1.734) 6.004 4.630 ( 0.569 -3.026 0.709) 3.160 4.767 ( -0.344 -0.076 2.006) 2.037 4.774 ( -1.672 0.094 1.102) 2.005 4.923 ( -4.097 2.727 1.614) 5.180 4.992 ( -1.559 -0.458 0.971) 1.893 5.043 ( -0.545 1.910 -2.119) 2.905 5.103 ( 1.445 4.392 -1.606) 4.894 5.124 ( 0.104 2.537 1.479) 2.939 5.247 ( 5.083 -2.165 -2.387) 6.019 5.284 ( -2.821 1.894 0.613) 3.453 5.369 ( -2.581 -3.874 4.311) 6.345 5.424 ( -0.335 -1.447 -1.264) 1.950 5.495 ( -0.839 -1.392 -1.533) 2.234 5.532 ( 3.592 -0.994 0.787) 3.809 5.639 ( -3.661 -1.045 0.022) 3.807 5.710 ( -5.222 -1.448 1.671) 5.671 5.761 ( -2.418 2.267 1.063) 3.481 5.859 ( -6.007 -0.653 1.843) 6.317 5.873 ( 0.654 2.684 2.192) 3.526 5.943 ( 1.806 4.847 0.918) 5.253 6.013 ( -2.521 -5.192 -1.596) 5.988 6.081 ( 4.294 4.261 -2.414) 6.514 6.148 ( -3.992 0.325 1.012) 4.131 6.289 ( -0.718 -4.802 -0.282) 4.863 6.337 ( 2.403 0.494 -0.693) 2.549 6.363 ( -1.842 -0.872 2.020) 2.869 6.462 ( -3.584 0.787 -2.911) 4.684 6.558 ( -1.185 1.703 3.702) 4.244 6.631 ( -0.628 -0.682 -1.091) 1.432 6.680 ( -1.201 -5.380 -2.295) 5.971 6.694 ( 1.384 1.194 -1.601) 2.430 6.765 ( 1.024 -0.740 -2.179) 2.519 6.865 ( -4.062 2.548 2.170) 5.263 6.932 ( -0.769 0.004 -3.781) 3.859 6.992 ( -0.586 1.499 -1.587) 2.260 7.039 ( -1.302 0.615 1.800) 2.305 7.133 ( 5.068 1.849 0.521) 5.420 7.185 ( 2.128 -1.701 -3.400) 4.357 7.233 ( -1.093 -0.813 -0.397) 1.419 7.263 ( 2.403 -0.356 -0.638) 2.511 7.383 ( -0.267 0.503 -0.183) 0.598 7.453 ( -1.194 2.251 -2.586) 3.630 7.537 ( 3.738 5.554 -1.885) 6.954 7.671 ( -1.303 3.525 -0.132) 3.761 7.749 ( 6.075 0.794 -0.770) 6.175 7.879 ( -4.589 0.190 1.496) 4.831 7.988 ( -2.222 1.287 -0.361) 2.593 8.053 ( -2.383 2.002 2.244) 3.837 8.142 ( -0.541 0.184 0.943) 1.102 8.233 ( -2.759 2.137 -1.442) 3.776 8.241 ( 1.759 4.009 2.188) 4.894 8.389 ( 1.292 -3.915 0.023) 4.123 8.418 ( 3.978 -2.072 -0.657) 4.534 8.515 ( 1.763 2.416 0.236) 3.000 8.583 ( 3.867 -9.142 4.963) 11.098 8.663 ( -1.473 -5.073 -2.422) 5.811 8.789 ( 2.024 -1.968 -0.005) 2.823 8.848 ( -0.712 2.426 0.158) 2.533 8.912 ( -0.494 -0.307 0.805) 0.993 9.031 ( -3.936 -6.752 0.202) 7.819 9.131 ( 1.695 0.511 0.677) 1.895 9.256 ( -1.204 -5.307 4.786) 7.247 9.288 ( -1.974 -2.864 0.425) 3.505 9.375 ( -4.608 1.113 0.446) 4.761 9.539 ( 4.474 1.733 0.061) 4.798 9.625 ( 0.501 2.857 0.300) 2.916 9.677 ( 2.141 4.057 0.759) 4.650 9.775 ( -0.812 -0.056 -2.741) 2.859 9.824 ( -0.638 -0.063 -1.316) 1.464 9.892 ( -1.889 -0.565 -1.094) 2.254 10.011 ( -2.370 4.522 -2.187) 5.554 10.047 ( -0.060 1.516 -0.603) 1.632 10.080 ( -0.613 -1.374 3.679) 3.975 10.239 ( 0.052 0.123 -1.189) 1.197 10.294 ( 3.346 4.172 -4.279) 6.849 10.377 ( -0.989 -2.789 -1.943) 3.540 10.427 ( -2.227 -2.874 2.542) 4.436 10.487 ( 1.935 -0.512 -2.275) 3.030 10.608 ( 1.849 2.933 -0.818) 3.562 10.737 ( 3.696 1.303 0.616) 3.967 10.784 ( 1.916 0.203 -1.974) 2.759 10.930 ( 1.303 1.736 -0.011) 2.171 11.015 ( -1.277 2.245 -1.835) 3.168 11.072 ( 0.083 -1.764 0.018) 1.766 11.113 ( 1.763 -0.950 1.000) 2.238 11.307 ( -1.062 2.458 0.743) 2.778 11.329 ( 0.551 3.188 2.007) 3.807 11.479 ( -1.283 1.920 1.228) 2.615 11.518 ( 1.486 1.513 2.836) 3.541 11.760 ( -5.046 2.882 1.038) 5.903 11.817 ( -2.965 3.868 0.153) 4.876 12.082 ( -3.011 -3.258 -1.835) 4.801 12.115 ( -0.554 1.091 -4.292) 4.463 12.197 ( -5.297 -0.007 -2.316) 5.782 12.318 ( -0.435 -1.245 -0.725) 1.505 12.328 ( 2.328 -1.856 -1.472) 3.322 12.434 ( -0.346 -3.047 1.837) 3.575 12.529 ( 3.722 -0.444 1.533) 4.050 12.568 ( 0.043 1.426 1.071) 1.783 12.645 ( 3.934 0.371 2.742) 4.809 12.853 ( 4.972 -3.001 1.225) 5.935 12.982 ( 0.890 -1.950 1.305) 2.510 13.041 ( 0.068 -0.337 -2.749) 2.771 13.194 ( 2.880 -0.811 2.937) 4.193 13.262 ( 0.897 -0.527 -2.954) 3.132 14.568 ( -2.594 4.273 5.517) 7.445 14.726 ( -5.613 1.424 -3.979) 7.026 15.293 ( 3.981 0.249 -2.628) 4.777 15.352 ( 10.080 -0.073 1.844) 10.247 15.605 ( -2.005 5.740 -1.115) 6.182 15.690 ( 4.269 1.694 -2.333) 5.151 15.911 ( 3.349 -0.427 -0.419) 3.402 15.939 ( 4.475 -0.153 1.238) 4.646 16.581 ( 5.348 0.726 1.885) 5.717 16.650 ( 6.795 -1.266 -4.389) 8.188 16.818 ( -0.774 0.507 -0.176) 0.942 16.896 ( 2.351 -0.772 0.585) 2.543 17.049 ( -3.624 -0.728 1.171) 3.877 17.107 ( -5.368 -1.216 0.567) 5.533 17.345 ( -6.817 7.087 7.191) 12.183 17.827 ( -4.266 -2.275 -10.329) 11.405 17.983 ( -2.494 1.915 -3.010) 4.353 18.044 ( 1.544 2.231 -3.405) 4.354 18.163 ( 0.415 -2.194 2.213) 3.144 18.209 ( 1.583 3.325 -0.266) 3.692 18.300 ( -1.056 -3.974 3.726) 5.549 18.375 ( 0.223 -0.932 2.546) 2.720 18.435 ( -1.077 -0.085 2.276) 2.520 18.527 ( 2.941 -0.154 4.309) 5.220 18.585 ( -0.726 -3.485 -0.829) 3.655 18.696 ( 2.501 -2.822 -4.706) 6.030 18.818 ( -1.542 -4.594 1.753) 5.153 18.927 ( 0.343 -2.734 -2.119) 3.476 19.003 ( 2.972 0.104 -1.900) 3.529 19.089 ( 2.309 0.695 -4.432) 5.045 19.992 ( -6.662 1.773 11.775) 13.645 20.258 ( -11.651 0.485 -3.071) 12.058 ======================= Grid point 44 (22/54) ======================= q-point: ( 0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 0.421 -0.173 3.803) 3.830 0.821 ( 4.612 -2.819 1.111) 5.518 0.963 ( 2.214 2.652 3.276) 4.761 1.011 ( 4.029 1.665 -2.408) 4.981 1.049 ( -2.928 -0.263 0.214) 2.947 1.132 ( -1.560 0.818 -1.589) 2.372 1.167 ( -2.177 -1.660 0.253) 2.749 1.210 ( -0.769 -2.344 0.004) 2.467 1.266 ( -7.225 0.309 2.810) 7.759 1.291 ( 1.073 -2.989 0.023) 3.175 1.390 ( 0.741 -2.111 -0.807) 2.378 1.439 ( -0.179 -1.604 2.232) 2.754 1.450 ( 1.649 -1.705 0.128) 2.376 1.532 ( 5.130 -2.081 1.236) 5.672 1.563 ( -2.613 -0.857 -1.308) 3.045 1.571 ( -1.455 0.656 -1.075) 1.924 1.636 ( -0.744 -0.089 0.460) 0.879 1.702 ( 1.047 0.217 0.143) 1.079 1.713 ( 0.060 0.449 1.968) 2.020 1.784 ( 1.107 -0.468 -0.641) 1.362 1.834 ( -1.612 -1.753 -0.385) 2.412 1.952 ( 2.609 5.558 -3.597) 7.116 1.965 ( 5.346 3.628 0.594) 6.488 2.002 ( 0.890 -0.115 -0.682) 1.128 2.011 ( 1.721 -0.920 1.178) 2.279 2.040 ( 1.434 -0.285 -2.541) 2.931 2.155 ( 5.496 1.675 -1.203) 5.870 2.194 ( -2.965 0.599 0.565) 3.078 2.258 ( -5.094 -0.284 -0.837) 5.170 2.314 ( 2.504 2.107 0.653) 3.337 2.334 ( -0.550 0.092 -1.781) 1.867 2.445 ( -0.913 1.830 -2.495) 3.226 2.495 ( -0.774 1.858 0.609) 2.103 2.613 ( 1.791 -0.779 2.397) 3.092 2.651 ( 2.694 -0.630 2.066) 3.453 2.713 ( -2.971 -1.611 -1.783) 3.821 2.783 ( -2.557 -3.184 1.034) 4.212 2.803 ( 0.084 -1.678 2.801) 3.267 2.884 ( 4.833 -3.036 -4.237) 7.109 2.920 ( 1.449 2.065 0.214) 2.531 2.962 ( -3.273 -1.791 -0.156) 3.734 3.078 ( 9.766 -0.865 -0.239) 9.807 3.088 ( 0.905 -2.473 2.831) 3.866 3.127 ( 1.998 0.384 -0.384) 2.071 3.235 ( 0.175 -0.734 -1.187) 1.406 3.344 ( -1.640 0.859 1.320) 2.274 3.349 ( -1.218 1.313 -1.487) 2.328 3.390 ( 1.623 -2.404 -2.440) 3.790 3.462 ( -0.259 -0.133 -2.629) 2.645 3.510 ( -5.053 -5.992 4.147) 8.868 3.553 ( -0.514 -0.521 -0.190) 0.756 3.666 ( -0.935 -0.144 1.073) 1.431 3.733 ( 1.283 -0.724 -2.609) 2.996 3.754 ( 2.380 -0.687 -0.907) 2.638 3.824 ( -2.721 1.313 0.349) 3.042 3.922 ( -1.905 -2.148 3.837) 4.792 3.964 ( 2.383 -0.468 1.792) 3.018 4.029 ( 0.431 -1.775 -1.037) 2.101 4.045 ( -0.636 -0.589 2.552) 2.695 4.084 ( -4.958 -3.609 -0.059) 6.133 4.181 ( -1.939 2.620 -3.719) 4.946 4.215 ( -0.070 4.422 2.142) 4.914 4.327 ( -3.641 1.429 -1.031) 4.045 4.433 ( -0.104 2.167 -3.673) 4.266 4.462 ( -2.029 -1.624 -0.659) 2.682 4.510 ( 2.497 -2.465 -0.430) 3.535 4.558 ( 4.965 1.362 2.282) 5.631 4.655 ( -2.113 -2.828 0.874) 3.636 4.722 ( -1.787 -0.489 -2.563) 3.163 4.798 ( 1.035 -0.239 3.037) 3.217 4.888 ( -3.087 3.385 1.708) 4.890 4.980 ( -3.384 2.402 3.099) 5.179 5.030 ( 1.678 -0.092 -0.004) 1.681 5.041 ( -4.844 3.269 -1.590) 6.056 5.179 ( 5.285 1.585 0.451) 5.536 5.223 ( 0.012 -2.118 -8.105) 8.377 5.305 ( 2.687 -0.169 0.896) 2.838 5.339 ( -1.526 -1.089 -0.207) 1.887 5.427 ( -1.437 -1.258 1.496) 2.426 5.451 ( 0.640 -1.826 -2.322) 3.022 5.576 ( -3.540 0.532 1.227) 3.784 5.594 ( -0.861 1.729 1.375) 2.371 5.685 ( -2.213 -3.460 2.403) 4.759 5.730 ( -3.030 -1.209 -0.917) 3.389 5.803 ( -4.662 -1.334 0.874) 4.927 5.929 ( 0.645 3.492 2.924) 4.600 5.956 ( -1.520 1.337 -0.226) 2.037 5.987 ( 3.317 1.373 0.646) 3.647 6.097 ( -2.194 0.727 0.196) 2.320 6.123 ( 1.761 8.477 0.152) 8.659 6.280 ( -2.656 -4.599 0.244) 5.316 6.307 ( -2.609 0.231 0.227) 2.629 6.373 ( 1.355 0.235 0.113) 1.380 6.420 ( 0.422 -4.263 -1.629) 4.583 6.559 ( -3.075 -1.023 1.416) 3.537 6.637 ( -1.019 -4.717 -0.094) 4.827 6.653 ( 1.378 1.540 3.084) 3.712 6.707 ( 4.020 0.746 -3.445) 5.347 6.755 ( -2.129 -2.993 2.586) 4.492 6.829 ( -2.203 1.900 0.601) 2.970 6.903 ( -2.217 4.109 1.119) 4.802 6.956 ( -1.642 -0.113 -0.867) 1.860 7.030 ( -3.253 -0.928 2.343) 4.115 7.143 ( -2.741 -3.261 -1.757) 4.608 7.172 ( 2.087 -0.130 -2.403) 3.186 7.264 ( 0.163 1.750 -0.437) 1.811 7.287 ( 4.791 1.168 0.528) 4.959 7.343 ( -2.716 1.060 0.764) 3.014 7.441 ( 2.427 3.848 -0.801) 4.620 7.561 ( -0.206 8.327 -1.297) 8.430 7.599 ( -0.700 -1.710 -3.134) 3.639 7.834 ( -2.034 3.531 0.419) 4.097 7.855 ( 7.887 2.136 -1.649) 8.336 7.948 ( -1.774 -0.069 -0.559) 1.862 8.012 ( -4.901 4.224 0.552) 6.494 8.127 ( -3.261 0.815 -0.403) 3.385 8.212 ( 3.954 -0.715 1.008) 4.142 8.292 ( 0.397 -0.175 0.369) 0.570 8.406 ( 0.762 -6.948 -0.378) 7.000 8.488 ( 2.068 -3.872 0.218) 4.395 8.531 ( 0.532 -1.279 -0.172) 1.396 8.602 ( -1.364 -7.087 -0.866) 7.269 8.715 ( -6.068 -5.165 -3.237) 8.601 8.750 ( 8.356 -8.666 1.227) 12.101 8.871 ( 0.090 -3.005 0.145) 3.010 8.941 ( 3.153 4.859 3.577) 6.808 9.002 ( 2.708 -1.337 -3.881) 4.918 9.129 ( -1.843 2.057 0.716) 2.853 9.264 ( -2.555 -5.641 0.741) 6.237 9.328 ( -0.545 0.252 4.456) 4.497 9.344 ( 0.014 2.826 2.785) 3.968 9.596 ( 1.797 0.388 -1.189) 2.190 9.628 ( 3.025 3.164 -1.802) 4.734 9.711 ( -1.604 0.418 -0.004) 1.658 9.731 ( 1.212 2.970 1.810) 3.683 9.806 ( -1.689 -0.409 0.252) 1.757 9.891 ( -2.239 -2.167 2.768) 4.168 9.950 ( 0.744 5.693 -2.697) 6.343 10.031 ( -0.885 -0.605 -0.627) 1.242 10.128 ( 0.767 -0.336 -0.605) 1.034 10.219 ( -3.392 3.227 -2.307) 5.219 10.232 ( -1.828 -0.810 0.914) 2.198 10.288 ( -1.594 -2.130 -2.795) 3.858 10.445 ( -2.380 -1.439 1.386) 3.107 10.518 ( 6.249 1.113 -2.145) 6.699 10.619 ( 1.206 1.119 0.973) 1.912 10.781 ( 0.890 0.466 -0.218) 1.029 10.865 ( 2.522 4.295 0.466) 5.002 10.955 ( 4.272 1.897 2.357) 5.234 10.998 ( 1.235 -0.404 -1.092) 1.698 11.106 ( 4.194 -2.607 -0.056) 4.939 11.161 ( 2.018 -0.220 1.860) 2.753 11.301 ( -0.796 1.933 -0.360) 2.121 11.350 ( -2.153 3.482 1.753) 4.453 11.487 ( 0.793 0.662 1.644) 1.942 11.565 ( 1.807 1.210 0.217) 2.185 11.622 ( -8.905 3.393 -2.344) 9.813 11.809 ( -3.066 1.650 3.504) 4.940 12.026 ( -2.778 -0.917 0.027) 2.926 12.051 ( -3.782 2.548 -2.841) 5.372 12.075 ( -3.379 -2.731 -1.589) 4.626 12.285 ( -1.334 0.615 -1.407) 2.034 12.313 ( 0.687 1.562 -2.275) 2.844 12.439 ( -2.686 -1.619 2.232) 3.850 12.618 ( 4.318 -0.097 1.156) 4.471 12.631 ( 5.777 -1.877 1.124) 6.178 12.759 ( 4.914 -0.408 2.154) 5.381 12.896 ( -3.346 1.068 -2.466) 4.292 12.978 ( 4.914 -4.766 -0.450) 6.861 13.059 ( 2.204 0.350 0.008) 2.232 13.225 ( 1.152 -0.603 -3.236) 3.488 13.262 ( 1.195 0.625 1.529) 2.038 14.574 ( -4.684 0.946 -1.042) 4.891 14.608 ( -3.858 1.420 2.282) 4.702 15.299 ( 2.318 3.292 -2.541) 4.761 15.526 ( 0.723 2.134 2.799) 3.593 15.631 ( 10.368 -0.541 1.700) 10.521 15.760 ( 8.869 -0.212 -2.851) 9.319 15.955 ( 3.325 0.461 -0.990) 3.500 16.031 ( 4.446 -1.086 1.089) 4.705 16.677 ( 5.645 0.918 -3.537) 6.725 16.725 ( 7.094 1.194 2.868) 7.744 16.813 ( 0.901 0.342 -0.070) 0.966 16.930 ( 0.755 -1.521 0.409) 1.746 16.998 ( -4.823 -1.012 0.958) 5.020 17.045 ( -3.847 -0.190 1.498) 4.133 17.313 ( -10.533 6.655 6.831) 14.209 17.566 ( -8.423 -0.471 -9.070) 12.387 17.967 ( 1.471 2.071 0.208) 2.548 18.041 ( 1.696 0.597 -0.479) 1.861 18.193 ( -0.181 -3.252 1.136) 3.450 18.231 ( 1.716 2.086 0.052) 2.702 18.318 ( -0.840 -1.882 0.337) 2.088 18.378 ( -1.665 2.157 0.659) 2.804 18.453 ( -1.351 -2.041 -0.666) 2.537 18.526 ( -0.610 0.519 0.286) 0.851 18.629 ( 2.202 -4.354 1.581) 5.129 18.692 ( 2.340 -4.860 -0.894) 5.467 18.813 ( -1.989 -2.916 -0.029) 3.530 18.885 ( 0.200 -3.951 -1.677) 4.297 19.068 ( 4.035 4.253 2.592) 6.410 19.120 ( 5.773 1.427 -1.763) 6.203 19.965 ( -10.839 -0.716 3.997) 11.574 20.025 ( -11.337 -0.035 -4.637) 12.248 ======================= Grid point 45 (23/54) ======================= q-point: ( 0.43 0.20 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 1.743 -1.778 0.278) 2.505 0.913 ( 4.764 3.968 0.529) 6.222 0.958 ( -4.519 -6.562 -0.969) 8.026 1.002 ( -0.086 -2.784 1.570) 3.197 1.056 ( 2.271 1.250 -2.630) 3.693 1.073 ( -3.798 1.960 -0.235) 4.280 1.172 ( -1.403 -2.499 2.372) 3.720 1.223 ( 0.536 -4.602 0.894) 4.719 1.243 ( -1.751 1.795 3.396) 4.221 1.312 ( 1.470 -0.407 -0.056) 1.526 1.387 ( 0.789 0.109 -0.078) 0.800 1.432 ( -1.809 -0.536 0.058) 1.888 1.450 ( -4.078 -2.418 -3.280) 5.765 1.485 ( 0.783 -1.186 1.391) 1.989 1.533 ( 1.784 -0.950 -4.514) 4.946 1.594 ( 0.201 -1.851 -0.102) 1.864 1.644 ( 0.528 -1.018 -0.664) 1.325 1.717 ( -0.901 -0.941 -0.447) 1.377 1.723 ( 0.824 -0.681 1.129) 1.554 1.750 ( -0.953 1.153 -0.639) 1.626 1.842 ( 3.063 -1.413 -2.748) 4.351 1.959 ( 2.750 4.728 -3.760) 6.637 2.003 ( 0.464 -0.318 -0.313) 0.644 2.030 ( 1.323 0.349 1.420) 1.972 2.061 ( 1.940 5.223 0.944) 5.651 2.076 ( 2.554 0.488 1.462) 2.983 2.158 ( -3.559 0.192 1.142) 3.742 2.167 ( 0.354 0.131 0.065) 0.383 2.253 ( 0.351 0.617 2.304) 2.411 2.300 ( -0.249 0.330 -1.095) 1.170 2.362 ( 1.992 1.615 -0.409) 2.597 2.420 ( 3.908 1.715 -3.030) 5.234 2.486 ( -1.248 4.265 0.351) 4.457 2.599 ( -1.189 -1.762 -4.338) 4.831 2.656 ( -3.338 -1.987 -0.252) 3.893 2.709 ( 1.078 -0.035 2.578) 2.795 2.741 ( -3.209 -2.157 1.435) 4.124 2.795 ( -0.291 -1.866 -2.580) 3.197 2.890 ( -2.324 -0.501 -0.832) 2.519 2.914 ( 3.582 -2.381 0.504) 4.330 2.955 ( -1.315 3.848 -0.118) 4.068 3.094 ( 1.236 -4.727 -0.136) 4.888 3.158 ( 0.777 0.122 1.319) 1.536 3.197 ( 3.769 -2.108 -0.416) 4.338 3.255 ( -2.611 -0.871 0.325) 2.771 3.325 ( 4.498 -0.590 1.496) 4.777 3.356 ( 0.820 -1.942 -3.354) 3.962 3.377 ( -3.623 -1.895 -2.298) 4.690 3.426 ( 6.195 2.015 -0.898) 6.576 3.501 ( -4.679 -6.850 4.829) 9.599 3.574 ( 0.723 -1.232 -0.365) 1.474 3.645 ( 0.217 -1.196 -1.009) 1.580 3.695 ( -2.306 0.875 1.168) 2.730 3.767 ( -0.661 -0.709 -0.461) 1.073 3.835 ( 3.587 -0.470 1.217) 3.816 3.935 ( -3.463 -0.436 -2.711) 4.420 3.974 ( -0.556 -0.316 -3.606) 3.663 4.007 ( 0.789 -3.979 -0.834) 4.141 4.030 ( -1.406 -3.279 -1.564) 3.895 4.065 ( -1.746 0.382 5.230) 5.527 4.155 ( 0.729 7.548 0.940) 7.641 4.225 ( 0.699 0.227 -2.179) 2.300 4.278 ( -3.208 2.800 4.074) 5.893 4.385 ( 1.178 -0.214 -0.355) 1.248 4.487 ( 1.011 2.206 2.843) 3.738 4.515 ( 0.865 -1.613 -2.387) 3.008 4.583 ( -3.399 3.343 -0.070) 4.768 4.648 ( 0.185 -2.476 1.020) 2.684 4.703 ( 2.046 -4.118 -1.234) 4.761 4.813 ( -1.061 2.156 -3.033) 3.869 4.858 ( -1.651 1.541 0.054) 2.260 4.954 ( -4.139 2.955 1.666) 5.352 5.017 ( -2.434 0.941 5.044) 5.679 5.098 ( 4.285 -1.909 0.326) 4.703 5.129 ( 1.411 0.769 -1.853) 2.453 5.276 ( 5.095 -1.588 -0.168) 5.339 5.298 ( -0.228 1.190 0.324) 1.254 5.369 ( 3.023 -0.417 0.512) 3.094 5.387 ( -1.956 -0.395 -0.884) 2.183 5.479 ( 1.222 -2.219 -1.237) 2.819 5.534 ( -2.595 1.184 -1.458) 3.204 5.571 ( -2.253 -1.320 0.399) 2.642 5.632 ( -3.039 -0.946 -1.077) 3.360 5.700 ( -2.000 -3.188 0.783) 3.844 5.757 ( -0.952 0.261 0.682) 1.200 5.938 ( -2.029 1.706 1.150) 2.889 5.952 ( -0.833 3.626 0.373) 3.739 6.056 ( 1.951 0.373 1.131) 2.286 6.114 ( 0.780 6.575 1.058) 6.705 6.146 ( 2.748 2.175 -0.884) 3.614 6.202 ( -4.909 2.819 1.778) 5.934 6.314 ( -2.172 -1.826 3.012) 4.138 6.379 ( 1.091 -1.861 -1.871) 2.856 6.412 ( 0.980 -5.532 -0.319) 5.627 6.545 ( -1.421 -0.948 1.716) 2.421 6.628 ( -1.616 -2.279 1.021) 2.975 6.696 ( 1.357 -3.433 -0.332) 3.707 6.727 ( -0.791 -0.497 3.343) 3.471 6.796 ( -1.258 0.836 2.174) 2.648 6.819 ( 1.782 3.863 1.891) 4.655 6.888 ( -3.204 4.685 2.664) 6.270 6.928 ( -0.069 -1.308 -0.742) 1.506 6.992 ( -3.909 0.209 0.468) 3.943 7.107 ( 0.288 -3.477 0.812) 3.582 7.164 ( 2.400 3.953 -3.718) 5.934 7.269 ( 0.322 -1.796 1.575) 2.410 7.293 ( -1.231 -5.486 0.792) 5.678 7.404 ( 0.713 4.173 4.134) 5.917 7.487 ( 2.732 6.092 2.450) 7.111 7.497 ( -2.930 2.489 0.661) 3.900 7.616 ( 2.420 4.899 -1.046) 5.563 7.822 ( 1.858 2.011 -2.486) 3.698 7.892 ( 1.357 0.709 -3.564) 3.879 7.925 ( 0.233 2.095 -0.145) 2.113 7.966 ( 1.107 4.573 -1.715) 5.008 8.083 ( -3.104 1.317 0.193) 3.378 8.272 ( 1.052 -4.040 -4.333) 6.016 8.291 ( 1.398 -4.855 0.801) 5.116 8.364 ( -1.457 -5.602 -3.501) 6.765 8.492 ( 0.120 -1.965 -0.846) 2.143 8.516 ( -1.292 -1.520 -1.495) 2.493 8.562 ( 1.459 -7.676 -6.863) 10.399 8.607 ( -2.367 -6.624 1.395) 7.171 8.829 ( -0.082 -7.965 0.608) 7.989 8.884 ( 3.733 -4.273 -3.981) 6.931 8.968 ( 2.288 1.039 -5.182) 5.760 9.045 ( 1.947 4.990 3.887) 6.618 9.143 ( -0.644 1.304 4.328) 4.565 9.240 ( -2.803 -8.757 1.822) 9.373 9.358 ( -0.959 5.740 3.288) 6.684 9.425 ( -0.867 1.744 3.256) 3.794 9.578 ( 3.192 0.399 -1.675) 3.627 9.656 ( 0.426 -0.065 0.251) 0.498 9.702 ( -1.415 2.009 0.572) 2.523 9.770 ( -1.314 0.798 1.758) 2.335 9.778 ( -0.192 2.012 -1.738) 2.666 9.838 ( -5.000 1.323 -0.528) 5.199 9.930 ( 2.092 0.347 -4.206) 4.710 10.013 ( 1.650 -2.562 -1.235) 3.289 10.146 ( 1.613 4.509 4.161) 6.344 10.165 ( -1.885 -0.274 -2.834) 3.414 10.217 ( 2.227 -2.990 0.593) 3.776 10.284 ( -3.050 -2.540 4.113) 5.716 10.424 ( -0.842 -0.288 0.345) 0.955 10.601 ( 3.784 1.999 1.575) 4.560 10.658 ( 1.036 1.727 1.354) 2.427 10.798 ( 0.650 0.139 1.488) 1.629 10.841 ( -2.490 6.780 -0.390) 7.233 11.012 ( 3.171 2.904 -0.739) 4.363 11.059 ( 2.258 2.279 -0.729) 3.290 11.160 ( 2.014 -2.430 -0.578) 3.209 11.218 ( -0.016 -1.375 2.264) 2.649 11.270 ( -0.497 2.785 -0.199) 2.836 11.332 ( -2.690 -0.515 1.317) 3.039 11.475 ( -2.164 3.590 -2.266) 4.765 11.520 ( -0.910 -0.747 0.161) 1.188 11.590 ( 0.590 1.679 0.474) 1.841 11.801 ( -5.136 -0.431 2.327) 5.655 11.942 ( -1.218 -0.140 -2.333) 2.635 12.005 ( -0.991 -1.053 0.561) 1.551 12.067 ( 0.470 2.517 1.841) 3.153 12.275 ( 0.805 0.674 0.667) 1.244 12.304 ( 1.467 2.286 -0.793) 2.830 12.426 ( -2.090 -0.581 1.354) 2.557 12.677 ( 0.923 -1.192 -2.693) 3.086 12.699 ( 2.115 -2.359 -0.751) 3.256 12.788 ( 1.445 -0.308 -0.644) 1.611 12.856 ( -1.461 0.697 1.803) 2.423 13.013 ( 2.391 -2.821 -2.176) 4.290 13.081 ( 1.778 -2.121 -1.821) 3.313 13.241 ( 2.613 2.127 0.701) 3.441 13.273 ( -0.740 1.918 0.410) 2.097 14.511 ( -0.314 0.064 -0.579) 0.662 14.575 ( -3.956 -0.795 0.399) 4.055 15.327 ( 2.153 5.524 2.025) 6.265 15.523 ( -2.427 3.060 1.447) 4.165 15.777 ( 5.159 -3.629 -4.340) 7.656 15.883 ( 8.419 -1.471 2.126) 8.807 15.963 ( 0.661 3.122 -1.976) 3.754 16.077 ( -0.379 -1.232 -0.073) 1.291 16.716 ( 3.958 1.213 -0.655) 4.191 16.816 ( 0.603 -0.573 0.488) 0.964 16.846 ( 2.116 -0.009 -0.153) 2.122 16.921 ( -2.299 0.071 -1.726) 2.876 16.957 ( -2.259 -1.973 3.520) 4.625 17.094 ( 1.314 -0.935 7.672) 7.839 17.205 ( -10.537 5.942 2.195) 12.295 17.412 ( 0.634 -0.006 -2.228) 2.317 17.999 ( -0.055 1.069 2.336) 2.569 18.076 ( 1.331 0.750 1.588) 2.204 18.187 ( -0.744 -5.002 -0.776) 5.116 18.252 ( 1.512 -1.322 -1.539) 2.530 18.296 ( -1.243 2.267 -0.015) 2.586 18.363 ( -0.718 2.263 0.023) 2.374 18.427 ( 0.111 0.532 0.050) 0.546 18.516 ( -0.414 0.691 -1.655) 1.841 18.657 ( 0.332 -4.772 0.046) 4.783 18.733 ( 0.338 -5.372 2.950) 6.137 18.781 ( -0.431 -3.382 -0.811) 3.504 18.902 ( 1.102 -2.777 2.066) 3.632 19.135 ( 1.011 6.719 -0.722) 6.833 19.189 ( 3.243 3.168 1.699) 4.841 19.788 ( -5.437 -2.404 -8.953) 10.747 19.843 ( -4.278 -1.119 -3.619) 5.713 ======================= Grid point 46 (24/54) ======================= q-point: (-0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -2.577 -1.147 1.273) 3.094 0.818 ( -12.161 -1.125 1.544) 12.310 0.916 ( -3.464 -0.107 -3.485) 4.915 1.032 ( 4.889 1.937 0.541) 5.286 1.048 ( -2.479 -1.802 0.811) 3.171 1.092 ( 4.124 -3.770 -1.113) 5.697 1.161 ( -0.858 -2.464 2.715) 3.765 1.258 ( 0.566 -2.923 0.606) 3.039 1.277 ( 1.022 -0.556 3.405) 3.599 1.335 ( 1.073 0.121 0.218) 1.102 1.351 ( -2.134 -2.152 -4.561) 5.476 1.399 ( -1.767 2.342 1.613) 3.349 1.432 ( 4.000 -2.434 -1.203) 4.835 1.479 ( -0.342 -0.575 -5.043) 5.087 1.521 ( 1.492 -0.631 1.214) 2.025 1.561 ( -1.803 -1.748 -1.232) 2.797 1.635 ( -0.553 -1.334 -0.231) 1.462 1.671 ( -3.462 -2.602 -0.638) 4.377 1.718 ( -0.903 -0.036 -1.321) 1.601 1.772 ( 2.114 -1.261 -1.398) 2.831 1.799 ( -3.807 2.573 -3.158) 5.576 1.941 ( -0.684 2.767 -0.849) 2.974 2.000 ( 0.596 3.282 -1.209) 3.548 2.048 ( -2.039 -0.085 1.746) 2.686 2.073 ( 0.747 3.412 2.846) 4.505 2.117 ( 0.439 2.443 0.389) 2.513 2.170 ( 1.684 -0.556 0.975) 2.024 2.207 ( 3.093 0.678 1.275) 3.414 2.261 ( 0.303 0.598 -1.302) 1.465 2.296 ( 0.958 2.377 1.168) 2.816 2.365 ( -0.558 0.302 0.583) 0.862 2.447 ( -1.354 3.084 -3.165) 4.622 2.488 ( 0.974 0.631 1.508) 1.903 2.529 ( 3.158 -3.453 -5.571) 7.275 2.606 ( -1.412 0.214 -0.671) 1.578 2.701 ( -0.343 2.419 -1.623) 2.933 2.751 ( 1.210 -1.535 0.982) 2.187 2.792 ( 0.503 -3.014 1.283) 3.314 2.864 ( 0.516 0.013 -2.120) 2.182 2.931 ( -0.738 2.377 0.161) 2.494 2.990 ( 2.312 -2.966 3.231) 4.958 3.080 ( -3.159 -2.517 -0.563) 4.078 3.142 ( -2.734 -1.474 -0.387) 3.130 3.229 ( -1.037 -4.962 -0.683) 5.115 3.248 ( -0.495 0.001 -0.175) 0.525 3.282 ( -2.045 1.041 -2.052) 3.078 3.317 ( 1.751 -2.391 -0.903) 3.098 3.406 ( 2.706 -3.216 -1.195) 4.370 3.480 ( -2.599 -0.391 1.884) 3.233 3.520 ( 2.623 0.196 0.416) 2.663 3.567 ( 0.198 0.614 1.354) 1.500 3.643 ( 1.594 -0.863 -2.400) 3.008 3.686 ( -0.915 2.706 1.616) 3.282 3.799 ( 3.499 -1.401 1.973) 4.254 3.839 ( -0.865 -0.491 -2.590) 2.774 3.851 ( -3.522 0.500 -0.286) 3.568 3.936 ( -0.393 0.867 -0.156) 0.965 3.972 ( 1.085 -2.783 -2.895) 4.160 4.008 ( 1.542 -5.239 -0.812) 5.522 4.093 ( -0.560 2.427 -3.766) 4.516 4.211 ( 1.961 0.002 4.831) 5.213 4.248 ( 1.662 0.498 4.556) 4.875 4.319 ( 1.240 -1.615 2.322) 3.088 4.457 ( 1.697 0.172 -0.992) 1.973 4.467 ( 0.948 1.340 0.405) 1.690 4.515 ( -3.296 2.099 -1.050) 4.046 4.561 ( 3.281 1.773 -0.101) 3.731 4.642 ( -3.525 -2.077 0.198) 4.096 4.675 ( 0.875 1.716 -1.807) 2.642 4.753 ( -0.212 0.559 -0.747) 0.957 4.875 ( -0.914 1.338 2.497) 2.977 4.931 ( -1.921 -0.392 2.177) 2.930 5.063 ( 2.067 -1.534 1.130) 2.811 5.101 ( -2.148 -2.553 0.972) 3.476 5.146 ( 1.060 -0.017 -4.068) 4.204 5.266 ( -2.475 -0.358 -5.738) 6.260 5.342 ( 1.199 0.932 0.363) 1.562 5.398 ( -3.350 -0.665 1.050) 3.573 5.407 ( 1.448 1.714 4.745) 5.249 5.450 ( 3.962 -2.926 -1.920) 5.286 5.482 ( 0.746 -1.928 -1.264) 2.423 5.539 ( 2.405 1.407 -0.607) 2.852 5.636 ( -2.919 -0.826 -0.544) 3.082 5.707 ( 3.604 -1.849 1.845) 4.451 5.777 ( 0.418 0.629 1.525) 1.702 5.920 ( -0.227 1.963 -2.150) 2.920 5.941 ( -2.618 0.179 3.873) 4.679 6.077 ( -2.703 2.987 0.783) 4.104 6.091 ( 0.903 1.786 1.195) 2.331 6.158 ( -2.799 1.679 1.989) 3.822 6.243 ( 4.278 1.484 1.344) 4.723 6.292 ( -2.252 2.540 -0.900) 3.512 6.377 ( 0.999 -0.526 -1.660) 2.007 6.434 ( 0.864 -2.970 1.030) 3.260 6.579 ( -1.266 0.057 5.242) 5.393 6.610 ( -1.186 -2.651 0.901) 3.040 6.715 ( -1.363 -3.614 2.043) 4.370 6.735 ( -1.045 -0.507 0.121) 1.167 6.810 ( 0.135 0.630 1.763) 1.877 6.826 ( -3.052 1.764 1.143) 3.706 6.904 ( 3.167 1.149 -1.287) 3.607 6.951 ( 1.957 -0.635 1.322) 2.446 6.988 ( -1.031 5.488 5.471) 7.817 7.150 ( 4.403 5.670 -3.957) 8.197 7.171 ( 2.997 -3.440 2.185) 5.058 7.295 ( -0.681 -3.246 2.679) 4.263 7.320 ( 0.390 -4.763 2.458) 5.374 7.409 ( -4.346 0.204 2.540) 5.038 7.512 ( 0.075 3.557 2.770) 4.509 7.584 ( 2.323 4.612 2.408) 5.698 7.624 ( 1.039 3.191 -0.764) 3.442 7.778 ( -0.317 -1.461 -3.150) 3.487 7.875 ( 1.775 -1.132 -1.846) 2.800 7.955 ( 1.191 4.534 -0.570) 4.722 7.965 ( 2.069 2.394 -3.384) 4.633 8.035 ( 0.485 0.613 -0.530) 0.944 8.182 ( -2.619 -1.124 -4.582) 5.396 8.266 ( -2.207 -2.087 -2.922) 4.214 8.328 ( -0.101 -3.866 -0.094) 3.869 8.420 ( 1.549 -3.944 -6.149) 7.467 8.471 ( 2.299 -1.430 -6.295) 6.852 8.571 ( 7.615 -1.991 -6.369) 10.125 8.619 ( -1.164 -6.277 4.101) 7.588 8.806 ( -2.548 -7.715 -1.710) 8.303 8.857 ( 1.063 -1.736 -1.992) 2.848 8.930 ( -0.259 2.142 -2.924) 3.634 9.087 ( -3.745 1.615 4.025) 5.730 9.203 ( -2.160 -4.007 3.711) 5.872 9.233 ( 0.010 -6.699 2.332) 7.093 9.358 ( -2.365 3.579 1.443) 4.526 9.404 ( -8.569 0.899 4.671) 9.801 9.627 ( 2.182 1.138 -3.509) 4.286 9.634 ( 1.047 2.397 -3.077) 4.039 9.676 ( -3.046 2.474 1.752) 4.298 9.748 ( 1.623 -1.493 1.828) 2.865 9.775 ( 2.533 1.041 0.078) 2.740 9.820 ( -0.254 -0.761 0.978) 1.264 9.931 ( 1.485 4.455 -2.452) 5.298 10.047 ( 5.755 -1.107 0.056) 5.861 10.096 ( -2.613 1.738 -2.510) 4.019 10.228 ( -1.417 -4.663 1.543) 5.112 10.284 ( 3.438 -6.543 0.122) 7.392 10.301 ( 1.427 2.045 4.732) 5.349 10.422 ( 1.040 0.820 -0.596) 1.452 10.645 ( -0.975 4.241 1.455) 4.588 10.679 ( -2.255 0.372 2.512) 3.396 10.810 ( -1.046 8.417 0.499) 8.496 10.851 ( 1.656 -2.799 3.328) 4.653 10.976 ( -6.740 3.314 -2.355) 7.872 11.067 ( 0.911 3.913 1.420) 4.261 11.142 ( -1.802 1.495 -1.237) 2.648 11.197 ( -2.655 0.100 0.961) 2.825 11.300 ( 0.746 0.897 0.980) 1.524 11.327 ( -0.677 0.210 2.358) 2.462 11.454 ( -0.414 1.580 -1.771) 2.409 11.509 ( 0.687 0.911 -4.025) 4.183 11.600 ( 1.247 -0.984 2.580) 3.030 11.735 ( -0.735 0.594 -1.433) 1.717 11.957 ( 2.745 -1.204 -0.463) 3.033 12.026 ( 4.485 -1.350 0.017) 4.684 12.130 ( 1.329 3.716 4.315) 5.847 12.282 ( 1.536 1.347 -2.024) 2.876 12.351 ( 1.098 0.052 2.630) 2.851 12.425 ( -0.667 -0.360 1.867) 2.015 12.585 ( -3.431 0.447 -3.578) 4.977 12.690 ( -0.115 -1.346 -2.381) 2.738 12.783 ( -6.630 -2.254 0.080) 7.004 12.867 ( 3.549 -0.628 0.143) 3.607 13.008 ( -1.005 -2.123 -1.153) 2.616 13.071 ( 0.345 -1.221 -1.022) 1.629 13.249 ( -1.321 1.228 -0.404) 1.848 13.295 ( 0.943 1.128 1.074) 1.820 14.507 ( -2.114 1.729 -1.057) 2.929 14.562 ( 4.583 0.371 0.911) 4.687 15.401 ( 0.959 1.950 3.871) 4.439 15.499 ( -1.564 2.449 -1.057) 3.092 15.711 ( -5.814 1.505 -0.973) 6.084 15.925 ( -0.556 2.087 -3.448) 4.069 16.000 ( 1.302 -1.330 2.188) 2.873 16.011 ( -5.292 0.063 -1.868) 5.612 16.754 ( -2.942 0.609 -0.147) 3.008 16.795 ( 0.489 -0.453 0.141) 0.681 16.875 ( 0.303 0.946 -0.959) 1.381 16.877 ( 2.732 1.106 0.217) 2.956 17.012 ( 1.132 -1.495 3.789) 4.228 17.084 ( -8.785 -0.486 5.926) 10.608 17.181 ( -2.100 0.877 2.528) 3.402 17.542 ( 12.375 -6.624 2.896) 14.332 18.030 ( -0.928 0.913 3.384) 3.626 18.110 ( -0.020 2.119 1.768) 2.760 18.157 ( 0.096 -3.627 -2.237) 4.262 18.222 ( -0.134 -1.909 -4.235) 4.647 18.293 ( -0.714 2.086 1.591) 2.719 18.365 ( 0.088 0.699 0.766) 1.041 18.449 ( 0.721 1.538 0.722) 1.846 18.478 ( -0.478 2.813 -2.005) 3.488 18.637 ( -2.418 -4.827 -0.609) 5.433 18.757 ( 0.141 -2.956 -2.372) 3.792 18.790 ( -0.200 -3.302 4.769) 5.804 18.950 ( 0.835 -2.151 1.185) 2.594 19.128 ( -1.681 3.488 3.262) 5.063 19.230 ( -2.457 1.507 3.731) 4.714 19.623 ( 3.769 -0.257 -12.820) 13.365 19.789 ( 8.840 1.971 -9.181) 12.897 ======================= Grid point 47 (25/54) ======================= q-point: (-0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( -13.962 4.520 -0.213) 14.677 0.654 ( -14.023 7.140 1.637) 15.821 0.889 ( 1.354 -6.375 0.430) 6.531 0.985 ( -7.020 -0.187 -0.245) 7.026 1.103 ( 1.667 -4.270 -0.392) 4.601 1.121 ( 2.534 -1.234 -0.364) 2.842 1.204 ( -4.623 -4.432 -2.386) 6.835 1.222 ( 0.057 -1.230 2.348) 2.652 1.267 ( -1.280 -0.557 -3.154) 3.449 1.318 ( 0.647 -0.948 -0.109) 1.153 1.352 ( -3.862 1.454 2.932) 5.062 1.381 ( -2.701 0.718 -0.312) 2.812 1.441 ( 4.473 0.989 0.714) 4.636 1.476 ( 1.422 -2.969 0.840) 3.397 1.511 ( 1.062 -0.548 -1.702) 2.080 1.581 ( -0.810 0.884 0.199) 1.216 1.602 ( 0.027 0.219 0.349) 0.413 1.615 ( -2.059 -0.641 -0.803) 2.301 1.690 ( 0.683 -2.259 -1.080) 2.596 1.716 ( -0.173 2.984 -1.329) 3.271 1.766 ( 0.701 -1.851 -1.595) 2.542 1.953 ( 0.918 4.705 1.324) 4.973 1.969 ( 0.209 3.460 -2.972) 4.566 2.047 ( -2.834 -2.266 0.630) 3.683 2.081 ( -0.526 1.510 -0.448) 1.660 2.165 ( 2.862 0.844 3.598) 4.675 2.232 ( 2.634 0.536 0.185) 2.694 2.255 ( -1.297 -0.390 2.454) 2.803 2.280 ( 2.275 3.029 0.010) 3.788 2.303 ( 1.936 -0.420 -7.078) 7.350 2.337 ( -3.849 -0.324 -2.302) 4.497 2.389 ( 3.223 0.156 3.238) 4.572 2.468 ( 0.878 3.078 -1.366) 3.480 2.554 ( -0.104 1.480 -1.207) 1.913 2.593 ( -0.532 -0.618 1.174) 1.429 2.717 ( 2.751 2.350 0.976) 3.747 2.759 ( -0.796 -4.640 -0.724) 4.763 2.796 ( -1.886 -2.007 -0.236) 2.764 2.867 ( 1.111 -0.579 1.914) 2.288 2.930 ( -3.707 2.035 0.100) 4.230 2.944 ( -1.679 -0.496 -3.399) 3.823 3.079 ( -2.923 -1.890 -0.746) 3.560 3.101 ( 0.569 -2.596 3.348) 4.274 3.123 ( -5.714 -2.834 -2.355) 6.799 3.238 ( -1.776 1.053 -0.024) 2.065 3.269 ( 0.486 -1.274 -0.166) 1.374 3.337 ( 1.597 -3.323 -3.408) 5.021 3.415 ( 1.484 -1.164 0.931) 2.103 3.488 ( 1.296 -1.029 -0.837) 1.855 3.549 ( 4.427 0.127 -1.062) 4.554 3.592 ( 1.166 0.047 2.570) 2.822 3.698 ( 3.793 0.157 -1.270) 4.003 3.713 ( 0.345 2.568 4.559) 5.243 3.786 ( -4.993 0.110 0.081) 4.995 3.813 ( -0.861 -0.368 -0.875) 1.282 3.871 ( 2.229 -1.327 -0.795) 2.714 3.931 ( -0.830 -0.630 3.018) 3.193 3.984 ( 2.699 -3.607 -1.208) 4.664 4.046 ( 4.114 -3.164 -1.423) 5.381 4.054 ( 2.342 -0.706 1.191) 2.720 4.239 ( -0.632 1.215 -1.152) 1.790 4.319 ( -0.839 -1.599 -0.134) 1.811 4.344 ( -4.345 3.135 -5.497) 7.676 4.404 ( 2.976 0.426 5.928) 6.647 4.460 ( 1.235 0.453 -1.796) 2.226 4.547 ( -1.588 -0.822 2.524) 3.093 4.596 ( 4.210 -0.398 1.812) 4.601 4.636 ( -0.452 -2.686 -0.491) 2.768 4.712 ( 3.234 -0.556 0.540) 3.326 4.754 ( -0.024 1.345 0.327) 1.385 4.883 ( 0.948 7.843 -1.194) 7.989 4.940 ( -1.900 -3.193 1.493) 4.004 5.020 ( -2.576 0.077 -5.234) 5.834 5.074 ( 0.475 -3.681 -1.722) 4.092 5.096 ( -0.956 -1.582 -0.666) 1.965 5.192 ( -2.466 0.602 1.211) 2.812 5.275 ( -2.379 -0.897 -1.477) 2.940 5.392 ( -2.667 0.680 -0.415) 2.783 5.432 ( 1.338 -0.928 -0.696) 1.771 5.510 ( 3.938 -0.941 0.581) 4.091 5.534 ( -2.618 -1.089 -0.705) 2.922 5.561 ( 4.472 0.148 0.757) 4.538 5.664 ( 4.723 3.259 1.965) 6.065 5.702 ( 0.619 0.715 -2.103) 2.306 5.851 ( 1.166 -1.332 2.652) 3.189 5.900 ( -0.225 -0.352 0.915) 1.005 5.965 ( 0.435 -2.077 0.858) 2.289 6.067 ( -3.807 0.717 3.817) 5.439 6.118 ( 2.729 0.203 -1.459) 3.101 6.174 ( -1.963 -0.617 6.164) 6.498 6.249 ( -0.255 3.818 -1.437) 4.087 6.320 ( 1.207 0.789 0.635) 1.575 6.368 ( 3.329 2.135 -1.865) 4.373 6.451 ( -0.441 -0.457 0.944) 1.137 6.571 ( -3.539 2.335 1.822) 4.615 6.646 ( 0.661 -0.615 -0.979) 1.332 6.708 ( -0.390 -2.972 0.749) 3.090 6.742 ( -0.054 0.051 4.030) 4.031 6.822 ( -0.453 1.462 0.731) 1.696 6.838 ( 1.474 -2.794 1.327) 3.427 6.968 ( 4.204 -0.324 1.868) 4.612 7.005 ( 3.034 2.245 1.001) 3.904 7.062 ( 0.365 6.213 5.097) 8.044 7.163 ( 3.851 3.965 -4.184) 6.932 7.208 ( 1.120 0.072 -2.345) 2.600 7.292 ( -8.131 1.551 0.949) 8.332 7.322 ( -1.291 -1.891 1.431) 2.700 7.395 ( 0.485 -5.087 0.692) 5.157 7.567 ( 1.013 1.310 0.208) 1.669 7.578 ( -1.662 1.460 2.517) 3.351 7.646 ( 3.816 -6.758 0.189) 7.763 7.729 ( -5.597 2.013 -2.351) 6.396 7.883 ( 2.402 -2.456 -0.873) 3.545 7.945 ( 1.447 4.932 -4.288) 6.694 7.967 ( 2.502 -1.451 3.114) 4.250 8.084 ( -1.352 3.129 -4.178) 5.392 8.100 ( 6.756 1.292 -1.053) 6.958 8.173 ( -3.484 0.324 -1.305) 3.734 8.360 ( 3.291 -3.315 -1.216) 4.827 8.417 ( 3.612 -3.799 -0.887) 5.317 8.439 ( 3.678 -1.382 -3.696) 5.395 8.574 ( 3.675 -1.138 -5.007) 6.314 8.650 ( -0.399 -5.223 2.629) 5.861 8.733 ( -1.661 -2.263 -2.960) 4.080 8.873 ( -0.616 4.151 -0.274) 4.205 8.888 ( 1.032 -1.228 -0.416) 1.658 9.067 ( -6.570 -3.667 4.872) 8.964 9.178 ( -2.718 -6.940 0.066) 7.454 9.264 ( -9.416 -0.107 -0.132) 9.417 9.287 ( 0.503 -0.360 2.105) 2.194 9.394 ( -0.856 -0.860 4.823) 4.973 9.582 ( -0.844 1.605 -2.683) 3.238 9.610 ( -2.171 4.292 -0.324) 4.821 9.666 ( -1.735 0.985 2.037) 2.851 9.823 ( 3.435 0.780 -0.886) 3.633 9.839 ( 4.055 -6.210 -0.399) 7.427 9.864 ( 2.232 0.205 3.450) 4.114 9.905 ( 3.989 4.419 -3.503) 6.907 10.017 ( -1.834 2.555 -3.226) 4.505 10.156 ( 1.149 -0.868 2.365) 2.769 10.180 ( -0.277 -1.156 -0.100) 1.193 10.293 ( -0.085 -4.798 -3.353) 5.854 10.379 ( 3.676 -2.347 0.323) 4.373 10.468 ( 2.233 3.454 0.910) 4.213 10.638 ( -1.858 5.149 1.734) 5.742 10.656 ( -4.011 1.157 1.548) 4.453 10.818 ( -2.962 5.754 -1.984) 6.769 10.845 ( -1.891 5.746 3.209) 6.848 10.943 ( 1.088 -3.571 4.526) 5.866 11.038 ( -4.398 -1.507 -1.013) 4.758 11.116 ( -1.852 2.134 1.328) 3.122 11.204 ( -0.872 2.635 2.577) 3.787 11.296 ( -1.906 -0.676 -0.318) 2.047 11.340 ( -2.538 2.154 2.562) 4.201 11.417 ( -0.490 2.281 -4.375) 4.958 11.435 ( 0.444 1.754 -0.708) 1.943 11.659 ( 3.490 1.581 -0.987) 3.956 11.804 ( 5.585 0.702 3.805) 6.794 11.992 ( 4.815 -2.945 -1.411) 5.819 12.132 ( 7.815 -1.557 -0.219) 7.972 12.204 ( 1.471 2.750 2.607) 4.065 12.268 ( 1.404 1.362 -3.349) 3.878 12.381 ( -0.207 -1.460 0.995) 1.779 12.443 ( -0.147 -0.897 -0.086) 0.913 12.510 ( -3.311 0.358 0.440) 3.359 12.642 ( -3.541 -1.439 -0.986) 3.947 12.666 ( -6.663 -0.683 0.142) 6.699 12.879 ( -2.697 -1.115 -0.039) 2.918 12.977 ( -0.453 -3.137 -0.407) 3.195 13.044 ( -1.148 -4.953 -2.666) 5.741 13.222 ( -2.050 2.423 1.538) 3.527 13.300 ( -0.399 2.381 -1.629) 2.912 14.469 ( -0.643 3.689 -0.458) 3.773 14.676 ( 7.305 -0.574 0.669) 7.358 15.391 ( -5.460 1.843 -1.734) 6.017 15.471 ( -2.610 -1.736 2.685) 4.127 15.665 ( -1.228 5.875 3.386) 6.891 15.838 ( -6.144 1.634 -0.671) 6.393 15.896 ( -2.941 1.530 -3.917) 5.132 16.002 ( -4.038 0.195 1.066) 4.181 16.655 ( -7.011 -0.546 -0.193) 7.035 16.824 ( 0.094 -1.617 0.643) 1.742 16.860 ( -0.613 0.958 -1.155) 1.621 16.950 ( 5.084 0.315 -0.390) 5.108 17.042 ( -1.986 -1.081 1.753) 2.861 17.082 ( -3.535 -0.706 7.333) 8.171 17.221 ( -0.336 -7.812 5.343) 9.470 17.750 ( 13.538 -8.127 -3.265) 16.124 18.071 ( -0.553 0.889 3.560) 3.711 18.117 ( -2.238 -0.784 -2.624) 3.537 18.127 ( -0.034 2.306 0.669) 2.401 18.163 ( 1.001 0.641 -2.302) 2.591 18.303 ( -0.289 0.023 0.154) 0.328 18.378 ( -1.465 0.184 2.393) 2.812 18.431 ( -1.942 3.121 0.358) 3.694 18.452 ( -0.076 3.395 -3.310) 4.742 18.590 ( -3.290 -4.579 1.470) 5.827 18.760 ( 2.720 -3.367 0.288) 4.338 18.847 ( -0.652 -3.181 3.735) 4.949 18.930 ( -1.058 -0.721 -3.174) 3.422 19.160 ( -3.859 -4.201 2.309) 6.154 19.262 ( -1.788 -3.430 6.477) 7.544 19.538 ( 7.387 8.950 -10.090) 15.378 19.856 ( 18.846 9.937 -9.468) 23.315 ======================= Grid point 48 (26/54) ======================= q-point: (-0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( -7.260 14.877 4.158) 17.068 0.504 ( -12.060 10.548 6.464) 17.277 0.785 ( -18.209 12.939 4.421) 22.771 0.952 ( 3.634 -8.830 1.744) 9.706 1.047 ( -2.859 -10.882 -2.427) 11.510 1.144 ( 0.121 0.621 0.251) 0.680 1.179 ( 0.632 -3.203 -0.823) 3.367 1.218 ( -0.270 0.948 2.166) 2.380 1.237 ( -0.506 -1.640 0.209) 1.729 1.294 ( -3.397 -1.851 1.753) 4.247 1.359 ( 1.021 0.565 -0.666) 1.344 1.372 ( -0.724 1.808 1.573) 2.503 1.490 ( -2.853 -1.366 2.440) 3.995 1.506 ( 3.036 1.645 0.230) 3.461 1.541 ( 2.622 1.284 -0.899) 3.054 1.583 ( 1.566 0.278 0.032) 1.591 1.606 ( 0.653 -1.521 1.150) 2.016 1.620 ( 0.490 -1.126 0.566) 1.352 1.678 ( -0.587 -3.457 0.767) 3.590 1.737 ( 3.797 1.636 -1.258) 4.322 1.780 ( 1.061 -0.828 0.514) 1.441 1.921 ( 2.521 1.097 -4.962) 5.673 1.960 ( -0.114 3.714 -1.640) 4.061 2.032 ( -1.005 0.374 1.516) 1.857 2.075 ( -3.037 -0.635 1.496) 3.445 2.130 ( -1.196 1.170 -9.069) 9.222 2.211 ( -1.404 -1.495 -0.107) 2.054 2.247 ( 0.937 -0.128 1.550) 1.815 2.261 ( 3.572 3.323 -2.235) 5.366 2.328 ( -1.151 3.128 1.019) 3.485 2.357 ( 4.373 -0.059 -2.500) 5.038 2.455 ( 2.740 5.103 -4.096) 7.094 2.514 ( -3.193 0.077 1.767) 3.650 2.524 ( 2.776 -1.109 5.991) 6.695 2.587 ( -3.868 -2.662 2.097) 5.143 2.691 ( -5.250 -1.663 1.067) 5.609 2.750 ( 1.398 -4.496 -1.802) 5.041 2.782 ( -0.980 2.647 -0.407) 2.852 2.877 ( 1.829 -4.585 2.063) 5.349 2.921 ( -0.754 -0.103 1.194) 1.416 2.954 ( 1.257 -0.136 2.176) 2.517 2.997 ( -6.812 -1.811 0.236) 7.052 3.050 ( 0.156 0.111 -1.613) 1.624 3.164 ( 2.582 0.435 3.042) 4.014 3.188 ( -4.514 -4.336 -1.469) 6.429 3.254 ( 0.382 -0.478 -0.568) 0.834 3.264 ( -3.786 -2.664 -3.731) 5.946 3.468 ( 1.875 -0.396 1.065) 2.192 3.523 ( 3.993 -2.334 -0.256) 4.633 3.605 ( 2.929 -0.241 -0.881) 3.068 3.643 ( 1.679 -0.507 1.288) 2.176 3.686 ( -3.086 0.175 -2.214) 3.802 3.733 ( 0.856 -0.677 0.012) 1.091 3.757 ( -0.903 1.605 -0.371) 1.879 3.785 ( -0.363 0.785 1.075) 1.380 3.873 ( 1.287 1.317 -2.551) 3.146 3.951 ( -1.023 -2.029 1.576) 2.765 4.031 ( -1.527 -5.958 3.560) 7.106 4.105 ( 2.699 0.294 2.672) 3.809 4.159 ( 4.457 -0.369 2.319) 5.038 4.195 ( 0.526 0.603 -5.309) 5.368 4.234 ( -3.074 3.563 1.955) 5.095 4.270 ( -0.451 -0.558 -2.983) 3.068 4.453 ( -0.293 -0.854 0.134) 0.913 4.520 ( -3.354 0.053 -1.117) 3.536 4.559 ( 0.125 -1.380 1.983) 2.419 4.585 ( 4.142 -0.572 -0.734) 4.245 4.666 ( 0.535 -3.419 -2.152) 4.075 4.729 ( -0.655 -1.102 0.603) 1.417 4.738 ( -1.662 -0.943 1.818) 2.637 4.833 ( 4.748 2.615 -6.285) 8.299 4.947 ( 0.139 2.262 1.814) 2.902 5.028 ( 1.023 0.298 3.176) 3.350 5.097 ( 0.423 -1.850 4.408) 4.799 5.106 ( 3.306 2.840 -0.668) 4.409 5.161 ( -3.621 -0.666 1.137) 3.853 5.233 ( -0.055 2.330 -2.080) 3.124 5.364 ( -1.715 1.967 0.950) 2.777 5.412 ( -0.197 -1.956 -1.238) 2.323 5.501 ( 0.938 -0.601 -1.398) 1.788 5.539 ( -3.099 0.499 0.424) 3.167 5.615 ( 4.631 0.685 0.635) 4.725 5.714 ( 1.561 0.328 0.569) 1.694 5.781 ( 4.795 1.720 2.223) 5.558 5.871 ( 3.567 1.854 -1.528) 4.301 5.909 ( -0.812 -1.422 -1.736) 2.387 5.977 ( -0.567 -4.312 1.523) 4.608 6.046 ( -3.948 -2.444 1.171) 4.789 6.121 ( 1.032 -1.754 -2.738) 3.412 6.228 ( -2.548 -2.550 3.790) 5.230 6.264 ( 1.255 1.784 3.062) 3.760 6.290 ( -2.071 3.216 -0.723) 3.892 6.416 ( 2.129 0.086 -2.964) 3.650 6.459 ( 1.187 -0.829 2.014) 2.480 6.549 ( -0.240 3.900 -0.832) 3.995 6.639 ( 2.515 1.164 -1.728) 3.266 6.731 ( 0.294 -2.821 1.921) 3.426 6.780 ( -1.649 -0.270 0.673) 1.801 6.823 ( 0.315 2.813 -0.499) 2.874 6.891 ( 1.256 -3.276 2.775) 4.473 6.987 ( -2.329 0.319 -1.384) 2.728 7.091 ( -1.937 2.887 2.946) 4.557 7.095 ( 2.547 1.342 -8.835) 9.292 7.133 ( 2.616 -0.504 0.502) 2.711 7.209 ( 4.184 4.618 -4.449) 7.657 7.224 ( 0.275 5.861 3.825) 7.004 7.287 ( -3.628 -4.134 -0.024) 5.501 7.411 ( 0.692 -0.857 -1.103) 1.559 7.507 ( -0.468 -0.738 -3.962) 4.057 7.555 ( -4.476 -2.937 -5.943) 7.998 7.588 ( -2.776 5.949 0.120) 6.566 7.776 ( -3.127 -4.024 5.669) 7.623 7.886 ( 4.681 -0.248 -0.604) 4.726 7.911 ( 0.304 2.147 -1.557) 2.669 8.042 ( 0.173 1.999 0.903) 2.201 8.087 ( 5.221 -0.021 0.875) 5.294 8.141 ( 0.333 -1.208 0.963) 1.580 8.217 ( 5.876 -2.073 2.876) 6.863 8.383 ( 3.086 -1.451 -2.304) 4.116 8.410 ( -1.262 -1.275 -2.333) 2.943 8.476 ( 0.810 -7.103 -0.128) 7.150 8.568 ( -1.232 -4.087 2.932) 5.179 8.656 ( 2.180 -0.772 -4.725) 5.261 8.751 ( 3.666 0.385 3.578) 5.137 8.849 ( 1.806 3.795 -0.793) 4.277 8.928 ( 1.429 1.242 0.874) 2.085 9.013 ( -6.722 -4.861 0.292) 8.300 9.127 ( -4.624 2.481 1.768) 5.537 9.176 ( -3.012 -5.604 3.996) 7.512 9.315 ( 0.172 -0.487 1.258) 1.360 9.441 ( -0.339 -1.054 2.167) 2.433 9.508 ( -4.383 0.781 -1.511) 4.702 9.588 ( -0.802 3.419 0.125) 3.514 9.701 ( 1.831 -2.514 3.749) 4.871 9.771 ( -3.300 -2.013 -4.400) 5.857 9.856 ( -0.221 0.105 0.062) 0.252 9.937 ( 6.096 -0.497 -1.131) 6.220 9.987 ( 3.268 2.113 -1.389) 4.132 10.015 ( 7.807 4.912 -1.405) 9.330 10.137 ( -1.492 -4.779 2.637) 5.659 10.200 ( -1.352 1.496 -0.880) 2.200 10.260 ( 1.237 -2.626 -2.340) 3.729 10.399 ( -1.329 2.246 -1.804) 3.173 10.474 ( 0.519 3.734 -0.605) 3.819 10.601 ( -3.762 2.386 -0.122) 4.457 10.648 ( 0.153 2.437 -0.137) 2.446 10.732 ( -3.264 7.106 -0.322) 7.826 10.933 ( 0.690 0.075 1.347) 1.515 10.948 ( -3.150 -1.131 2.759) 4.337 11.010 ( 2.658 -2.241 -1.539) 3.802 11.037 ( -4.505 0.404 -3.431) 5.677 11.228 ( -3.032 -2.205 0.375) 3.767 11.258 ( 0.061 1.950 0.098) 1.954 11.373 ( -0.423 0.768 4.888) 4.965 11.408 ( 3.070 2.648 0.482) 4.083 11.445 ( -0.542 0.870 1.021) 1.447 11.707 ( 2.698 2.786 0.089) 3.879 11.899 ( 0.718 2.642 1.548) 3.145 12.101 ( 8.449 -3.526 2.677) 9.538 12.175 ( 1.432 -2.227 -5.043) 5.696 12.217 ( 2.893 2.844 -4.398) 5.983 12.285 ( 2.077 0.183 2.381) 3.165 12.365 ( -1.040 -1.364 -4.151) 4.492 12.391 ( -2.553 -2.155 -1.347) 3.603 12.481 ( -3.162 -0.149 1.844) 3.664 12.568 ( -4.523 0.167 1.809) 4.874 12.626 ( -5.164 -0.924 4.912) 7.186 12.829 ( -2.558 -3.460 -0.254) 4.310 12.914 ( -4.195 -1.556 -1.411) 4.691 13.037 ( 2.837 -5.558 -0.916) 6.307 13.208 ( -3.093 2.092 -0.690) 3.798 13.257 ( 0.374 4.325 -1.421) 4.568 14.480 ( 0.858 4.028 1.538) 4.396 14.774 ( 5.004 -2.761 0.282) 5.722 15.284 ( -3.623 3.035 -2.113) 5.177 15.425 ( -8.552 -3.974 2.255) 9.696 15.734 ( 2.556 0.427 -0.042) 2.592 15.757 ( -1.194 0.873 -3.045) 3.385 15.840 ( 0.768 6.086 -0.061) 6.134 15.937 ( -4.612 -0.031 0.141) 4.614 16.552 ( -4.972 -0.131 -0.282) 4.982 16.783 ( -7.940 -7.018 -2.198) 10.823 16.841 ( -1.147 0.421 -0.383) 1.280 16.907 ( -7.615 -3.159 -2.570) 8.636 17.051 ( 1.413 0.463 0.794) 1.686 17.158 ( -0.958 -3.123 5.995) 6.827 17.251 ( 1.851 2.381 -0.838) 3.130 17.852 ( 10.102 -6.137 -4.649) 12.701 18.056 ( -1.580 -1.004 0.302) 1.896 18.122 ( -1.297 0.140 0.309) 1.341 18.140 ( 0.596 1.032 4.077) 4.247 18.159 ( 1.549 0.984 -1.261) 2.226 18.309 ( -0.374 -0.142 1.841) 1.884 18.367 ( -0.483 2.386 -1.409) 2.813 18.386 ( -1.581 1.775 -1.853) 3.014 18.437 ( -1.274 3.075 2.200) 3.990 18.572 ( -3.297 -5.750 0.142) 6.629 18.805 ( 0.518 -0.925 0.235) 1.086 18.842 ( 0.289 -3.586 -3.401) 4.951 18.896 ( -0.071 -3.347 1.245) 3.572 19.056 ( -2.511 2.733 -5.023) 6.246 19.280 ( -1.364 -5.039 -2.499) 5.788 19.621 ( 4.629 10.457 8.640) 14.333 20.160 ( 26.794 7.930 1.370) 27.976 ======================= Grid point 49 (27/54) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 0.654 4.014 4.404) 5.994 0.791 ( -2.084 8.974 5.890) 10.935 0.824 ( 3.126 -10.796 3.725) 11.841 0.870 ( -4.237 4.664 0.205) 6.305 0.968 ( 0.345 2.155 6.338) 6.703 1.114 ( 0.406 -6.944 1.043) 7.034 1.151 ( 0.837 3.317 -1.395) 3.695 1.203 ( -2.045 -1.550 2.082) 3.304 1.229 ( 1.413 -0.473 -0.362) 1.533 1.264 ( 0.813 -1.916 1.908) 2.823 1.350 ( -0.085 -0.389 -2.008) 2.047 1.359 ( -1.101 -1.044 -1.086) 1.866 1.490 ( -4.317 2.553 1.775) 5.320 1.517 ( -2.743 -0.092 -1.077) 2.949 1.574 ( 1.788 -0.639 0.827) 2.071 1.583 ( -0.607 -1.431 -0.417) 1.609 1.621 ( 0.645 0.586 0.636) 1.079 1.642 ( 0.146 -0.335 2.190) 2.221 1.692 ( 0.730 2.266 1.351) 2.737 1.747 ( 0.008 -2.387 0.169) 2.393 1.870 ( 3.729 5.826 2.367) 7.311 1.911 ( 5.045 0.497 -5.415) 7.418 1.947 ( -2.542 0.092 -0.962) 2.720 2.004 ( -2.570 -2.319 0.955) 3.591 2.038 ( 1.484 0.289 -3.137) 3.482 2.055 ( 2.260 -1.172 -1.162) 2.798 2.236 ( 1.771 -0.373 -0.330) 1.840 2.263 ( 4.002 -0.408 0.822) 4.106 2.315 ( 1.533 0.329 -2.281) 2.768 2.336 ( 0.593 -1.515 -2.944) 3.363 2.414 ( -0.517 5.685 -0.292) 5.716 2.468 ( 2.529 1.251 -4.762) 5.535 2.498 ( -1.052 -0.795 0.417) 1.383 2.514 ( -3.753 -4.284 0.795) 5.751 2.610 ( -2.402 4.114 3.645) 5.998 2.656 ( 0.538 -0.172 0.215) 0.605 2.667 ( 0.300 -0.206 -1.003) 1.067 2.731 ( -3.238 -5.454 -0.389) 6.355 2.894 ( -0.370 1.099 1.061) 1.572 2.904 ( 0.961 -0.018 2.141) 2.347 2.916 ( 0.165 1.822 0.776) 1.988 2.952 ( -1.322 1.302 -0.274) 1.876 3.011 ( -2.063 -3.644 -2.699) 4.982 3.033 ( 1.054 -4.939 0.361) 5.064 3.209 ( 1.996 0.832 1.696) 2.748 3.240 ( 2.563 -2.258 2.113) 4.016 3.377 ( 1.642 6.585 1.160) 6.885 3.483 ( -0.832 -1.070 -1.322) 1.894 3.537 ( -1.647 -0.910 2.151) 2.858 3.553 ( 5.818 -2.445 0.655) 6.345 3.646 ( -4.438 0.132 -0.155) 4.443 3.665 ( -2.765 -0.759 0.215) 2.875 3.749 ( -0.570 1.734 -2.231) 2.882 3.772 ( -0.414 -0.087 -3.346) 3.373 3.834 ( 2.051 2.933 3.312) 4.876 3.877 ( -1.720 0.202 3.771) 4.150 3.899 ( -6.091 -1.669 3.371) 7.159 3.933 ( -0.973 -4.592 2.144) 5.160 4.124 ( -1.788 2.164 0.260) 2.819 4.167 ( -2.604 -0.115 -1.234) 2.883 4.227 ( 4.228 -0.774 -0.434) 4.320 4.246 ( 6.030 -2.453 0.677) 6.544 4.329 ( -0.253 3.389 -0.406) 3.422 4.387 ( -1.235 -2.060 -0.685) 2.498 4.475 ( 0.507 2.253 -2.313) 3.268 4.503 ( -1.009 -0.805 -2.431) 2.752 4.565 ( 0.281 0.363 -6.222) 6.239 4.630 ( 0.786 -3.926 -6.948) 8.019 4.693 ( 0.552 0.104 5.365) 5.394 4.716 ( 0.469 -2.155 3.665) 4.277 4.906 ( 1.646 2.471 6.708) 7.336 4.966 ( 1.416 -1.868 3.396) 4.127 5.097 ( -0.766 0.984 1.365) 1.848 5.108 ( 0.762 0.808 2.401) 2.646 5.166 ( -1.291 2.079 1.226) 2.737 5.228 ( -0.789 -2.792 0.273) 2.914 5.296 ( 1.842 2.620 -0.328) 3.220 5.344 ( 3.951 -2.035 -3.932) 5.934 5.416 ( -0.091 3.571 -0.832) 3.667 5.494 ( 1.398 -2.651 -1.550) 3.374 5.530 ( -4.817 2.929 1.047) 5.734 5.591 ( -3.338 -3.099 1.267) 4.727 5.794 ( -0.190 1.820 0.112) 1.833 5.831 ( 0.502 -1.144 1.689) 2.101 5.851 ( -4.406 -0.879 -0.406) 4.511 5.891 ( 1.667 0.815 1.980) 2.713 5.925 ( -0.474 -2.135 0.568) 2.260 5.947 ( -2.307 -1.498 1.908) 3.348 6.119 ( 2.981 1.902 -1.829) 3.981 6.161 ( -0.841 -2.114 -0.239) 2.288 6.286 ( -0.902 0.804 -3.080) 3.308 6.305 ( -0.009 -0.461 -2.285) 2.331 6.387 ( 0.629 1.237 -1.129) 1.788 6.435 ( 2.056 -3.041 -0.229) 3.678 6.613 ( 0.637 1.384 -0.828) 1.734 6.651 ( -2.653 -2.372 -2.300) 4.237 6.716 ( -1.022 3.561 -1.452) 3.979 6.756 ( -2.358 0.416 -0.487) 2.443 6.851 ( 4.619 1.343 -5.735) 7.485 6.884 ( 4.423 -0.837 -4.835) 6.606 6.976 ( -2.647 1.577 2.609) 4.037 7.031 ( -4.378 -2.364 0.735) 5.029 7.105 ( -1.006 2.555 -1.928) 3.355 7.130 ( 3.595 2.584 -3.209) 5.468 7.172 ( -2.808 -1.233 -2.187) 3.767 7.185 ( 0.031 -3.276 -2.955) 4.412 7.332 ( -1.704 2.514 -1.516) 3.394 7.379 ( 3.300 -1.510 -3.024) 4.724 7.527 ( 0.814 5.906 0.812) 6.017 7.660 ( -1.765 6.317 1.527) 6.734 7.677 ( -1.248 -2.665 -0.573) 2.998 7.733 ( -0.739 3.754 4.255) 5.723 7.875 ( -2.433 -2.464 6.329) 7.214 7.954 ( 0.344 -6.899 7.213) 9.987 8.104 ( 1.483 1.317 -0.707) 2.105 8.127 ( 2.546 1.520 -2.205) 3.695 8.203 ( -1.293 3.748 0.965) 4.081 8.283 ( 3.003 2.273 2.144) 4.333 8.298 ( 4.947 -3.571 -0.780) 6.151 8.359 ( -0.591 -1.725 0.543) 1.902 8.416 ( -0.349 -0.438 2.899) 2.952 8.517 ( -0.440 -5.983 1.910) 6.296 8.611 ( 2.094 -2.698 -1.054) 3.574 8.667 ( 1.756 -4.841 -0.823) 5.215 8.901 ( -1.404 2.504 -1.751) 3.362 8.941 ( -0.345 0.481 -2.456) 2.526 9.022 ( -0.284 4.935 0.871) 5.019 9.086 ( -3.534 -0.952 0.475) 3.691 9.176 ( -1.536 -1.414 1.680) 2.679 9.222 ( -1.105 -6.260 -0.680) 6.393 9.446 ( -0.421 1.191 0.331) 1.305 9.468 ( 2.844 -0.831 0.130) 2.965 9.667 ( 0.778 3.196 2.068) 3.885 9.715 ( 1.830 -1.213 0.805) 2.339 9.777 ( -2.887 3.985 3.059) 5.794 9.861 ( -0.569 -1.790 -0.602) 1.973 9.938 ( 0.858 -0.087 1.925) 2.109 9.981 ( -4.348 -1.410 0.139) 4.573 10.074 ( 0.857 1.734 0.827) 2.103 10.140 ( 3.166 -4.832 2.434) 6.268 10.206 ( 1.449 4.173 -2.056) 4.872 10.262 ( 3.066 -0.951 -1.559) 3.569 10.431 ( -1.873 3.589 -4.853) 6.320 10.475 ( -3.714 -1.273 -2.570) 4.692 10.601 ( -1.235 4.940 -1.602) 5.338 10.669 ( 0.648 0.373 -1.797) 1.947 10.763 ( 2.060 0.356 -5.168) 5.574 10.792 ( -4.189 -1.634 -4.389) 6.284 10.978 ( -3.840 3.283 -0.400) 5.068 11.024 ( 2.644 -0.811 0.203) 2.773 11.046 ( 4.671 0.295 -0.458) 4.703 11.081 ( -1.944 -2.908 -1.417) 3.774 11.354 ( -0.053 3.498 2.438) 4.264 11.399 ( -2.380 0.340 1.516) 2.842 11.454 ( 0.745 0.334 3.783) 3.870 11.480 ( 0.258 -1.235 3.100) 3.347 11.864 ( 1.009 6.349 1.285) 6.556 11.965 ( -1.445 1.494 -1.902) 2.818 12.037 ( 0.048 -1.366 0.253) 1.390 12.141 ( 1.477 -4.857 -3.921) 6.415 12.260 ( 1.456 -0.240 -1.638) 2.205 12.270 ( -0.306 -0.822 -2.454) 2.606 12.311 ( 0.184 1.725 -0.269) 1.756 12.352 ( 2.474 -1.613 0.071) 2.955 12.505 ( -0.950 2.136 1.952) 3.046 12.560 ( -1.835 -2.092 2.694) 3.874 12.620 ( -1.675 2.968 1.091) 3.578 12.716 ( 0.826 -4.670 -1.147) 4.879 12.914 ( 2.112 1.542 2.948) 3.941 12.976 ( 1.169 -3.874 4.151) 5.797 13.207 ( -1.084 3.669 -2.825) 4.756 13.272 ( -0.808 -1.837 -2.157) 2.947 14.638 ( 0.189 5.646 3.470) 6.629 14.749 ( 0.421 -4.680 2.034) 5.120 15.274 ( 0.780 0.721 -1.165) 1.576 15.287 ( -1.574 -0.662 -0.776) 1.875 15.730 ( 0.378 1.561 -1.403) 2.132 15.749 ( 0.270 0.224 -1.307) 1.353 15.872 ( 0.017 1.194 -0.481) 1.288 15.894 ( 0.050 -0.830 -0.061) 0.834 16.539 ( -0.421 1.766 0.844) 2.002 16.583 ( -1.163 -2.122 0.295) 2.438 16.840 ( 0.295 0.856 -0.236) 0.936 16.858 ( 0.140 -0.713 0.123) 0.737 17.096 ( -0.259 1.988 -1.394) 2.442 17.135 ( -1.117 -1.556 -1.002) 2.162 17.523 ( -0.206 11.508 3.661) 12.077 17.766 ( 2.045 -10.936 0.632) 11.144 18.051 ( 0.628 0.413 -0.707) 1.032 18.066 ( -0.592 -1.198 0.174) 1.347 18.189 ( -0.066 2.582 -1.870) 3.189 18.220 ( 3.697 0.902 -1.939) 4.271 18.282 ( -5.623 -0.001 1.024) 5.715 18.308 ( -0.808 -1.585 -1.770) 2.510 18.448 ( 2.173 1.850 1.083) 3.052 18.475 ( 0.635 0.347 -0.211) 0.754 18.562 ( 0.097 3.907 1.412) 4.155 18.679 ( -0.481 -6.162 -2.516) 6.674 18.750 ( -0.229 0.960 -2.710) 2.884 18.833 ( 1.153 -5.409 -0.653) 5.569 19.051 ( -1.106 2.693 -2.344) 3.738 19.117 ( -1.326 -3.365 -3.551) 5.069 20.034 ( 0.592 11.058 8.174) 13.764 20.261 ( 1.330 -9.790 2.201) 10.122 ======================= Grid point 50 (28/54) ======================= q-point: ( 0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( -1.819 5.382 6.558) 8.677 0.774 ( -2.296 5.893 -1.085) 6.417 0.896 ( 4.239 0.712 3.121) 5.312 0.957 ( 2.102 -7.743 4.901) 9.402 1.077 ( 2.401 -0.628 5.274) 5.829 1.106 ( 1.628 -3.684 -2.370) 4.673 1.132 ( 0.632 1.295 -1.346) 1.972 1.180 ( -3.398 -2.740 1.769) 4.710 1.280 ( -1.553 0.858 0.453) 1.831 1.323 ( 2.547 -0.305 -1.814) 3.142 1.329 ( -0.229 -2.263 0.725) 2.387 1.349 ( 3.542 -1.081 1.602) 4.035 1.408 ( -4.241 1.444 0.019) 4.480 1.437 ( -4.102 -1.299 -1.019) 4.422 1.586 ( -0.288 0.699 1.957) 2.098 1.604 ( 0.335 -0.489 0.064) 0.597 1.647 ( 0.372 0.209 1.503) 1.562 1.676 ( -0.030 -1.508 2.120) 2.601 1.705 ( -1.449 2.364 1.032) 2.959 1.758 ( -2.345 -2.604 2.480) 4.293 1.876 ( -0.129 1.636 -3.093) 3.501 1.906 ( -0.003 -1.755 -1.469) 2.289 1.966 ( 4.157 3.897 1.205) 5.824 1.998 ( 1.676 -0.089 -2.079) 2.672 2.030 ( 4.187 0.818 -4.580) 6.259 2.075 ( 1.947 -0.292 -1.762) 2.642 2.220 ( -3.209 4.035 0.401) 5.171 2.274 ( 1.446 2.506 -1.948) 3.488 2.309 ( 0.729 -1.148 -2.356) 2.720 2.327 ( 1.238 -1.370 -1.687) 2.501 2.418 ( -1.550 2.552 0.707) 3.068 2.466 ( 1.225 -0.344 -1.736) 2.152 2.501 ( 0.300 -0.467 0.480) 0.733 2.527 ( 3.654 -1.544 2.352) 4.612 2.585 ( 2.052 2.708 -1.411) 3.679 2.662 ( 3.578 -3.092 -2.330) 5.272 2.705 ( -0.490 -1.501 1.554) 2.216 2.711 ( 1.296 -2.475 1.413) 3.131 2.882 ( -0.005 1.760 -0.708) 1.897 2.925 ( 2.809 -0.965 -1.267) 3.229 2.944 ( 1.226 -0.311 2.117) 2.466 2.967 ( 1.353 -1.376 -1.363) 2.363 2.997 ( 0.313 1.143 2.927) 3.158 3.051 ( -0.089 -2.919 1.056) 3.105 3.264 ( 0.795 -0.536 0.513) 1.087 3.286 ( 2.517 -2.651 0.430) 3.681 3.376 ( -2.053 2.639 -0.123) 3.346 3.426 ( -3.028 -1.700 -2.720) 4.411 3.521 ( -7.857 0.817 0.921) 7.953 3.539 ( -6.943 -0.541 -0.515) 6.983 3.617 ( 0.422 0.987 1.646) 1.965 3.662 ( 4.561 -1.270 1.437) 4.947 3.713 ( -2.351 3.249 -1.840) 4.413 3.751 ( 2.077 0.381 -0.866) 2.282 3.841 ( -3.555 -0.995 2.745) 4.600 3.864 ( -4.772 -4.350 1.648) 6.664 3.927 ( 0.635 2.939 5.299) 6.092 4.012 ( -0.262 -4.118 5.469) 6.850 4.056 ( -4.526 0.967 -1.872) 4.993 4.070 ( -3.487 -0.181 -2.386) 4.229 4.274 ( -2.183 3.447 -0.914) 4.181 4.299 ( 1.732 2.130 -0.166) 2.751 4.362 ( 0.438 -1.496 -0.579) 1.663 4.389 ( 5.646 -2.268 2.309) 6.508 4.454 ( 1.402 0.158 -3.896) 4.143 4.490 ( 3.145 1.879 -0.980) 3.793 4.505 ( 3.200 -1.193 -4.363) 5.541 4.565 ( 3.258 -3.351 -4.479) 6.473 4.758 ( -1.623 -0.235 3.592) 3.949 4.764 ( -1.804 -0.767 3.483) 3.996 4.987 ( -1.685 3.129 2.177) 4.168 5.018 ( -0.560 2.134 2.995) 3.720 5.065 ( -3.123 0.485 -1.292) 3.415 5.126 ( -1.046 -2.783 1.655) 3.403 5.188 ( 3.008 2.653 -0.653) 4.064 5.226 ( 2.634 -0.695 -3.803) 4.678 5.299 ( -2.570 1.400 3.310) 4.418 5.347 ( -2.058 0.950 -0.733) 2.382 5.379 ( -0.676 -1.460 0.755) 1.777 5.440 ( -3.897 -3.646 -1.003) 5.430 5.548 ( 4.353 1.843 0.319) 4.738 5.594 ( 1.021 -2.436 0.229) 2.651 5.726 ( -5.884 2.439 -0.233) 6.374 5.774 ( -5.292 -1.003 0.685) 5.430 5.832 ( -3.247 -0.124 1.700) 3.668 5.892 ( -1.825 -4.647 0.269) 5.000 5.951 ( 0.778 3.428 2.594) 4.369 6.005 ( 1.796 -0.467 2.368) 3.008 6.126 ( 0.773 0.502 -1.608) 1.854 6.145 ( -0.395 -0.962 0.778) 1.299 6.253 ( 3.443 1.743 -4.153) 5.669 6.306 ( 4.075 -2.428 -3.278) 5.766 6.377 ( -0.486 2.807 0.250) 2.860 6.458 ( -0.862 -2.846 1.191) 3.204 6.553 ( -2.959 0.026 -3.070) 4.264 6.596 ( -2.346 -2.473 0.535) 3.450 6.659 ( -2.977 2.648 -1.904) 4.416 6.715 ( -0.477 -1.955 -3.058) 3.661 6.806 ( 2.475 5.227 -4.268) 7.188 6.897 ( 0.217 -2.844 -2.178) 3.589 6.928 ( -1.944 3.006 0.968) 3.709 7.002 ( -2.767 -2.790 0.931) 4.038 7.055 ( -2.544 3.879 -0.833) 4.713 7.136 ( -0.370 -2.841 -2.189) 3.605 7.144 ( 0.851 0.347 -0.147) 0.931 7.191 ( 2.793 -3.689 0.509) 4.655 7.334 ( 4.966 4.629 -0.906) 6.849 7.382 ( 0.413 -0.684 -1.527) 1.724 7.504 ( -3.249 5.793 -0.797) 6.689 7.657 ( -0.922 -2.619 -0.991) 2.948 7.685 ( 4.325 3.099 0.395) 5.335 7.763 ( 2.193 -0.673 0.453) 2.339 7.914 ( -4.524 4.362 6.791) 9.253 8.018 ( -4.161 -1.851 3.792) 5.926 8.111 ( 1.889 0.126 -1.889) 2.675 8.128 ( 0.538 3.207 -0.275) 3.264 8.214 ( -1.527 -1.970 2.904) 3.827 8.314 ( 1.859 -4.275 0.349) 4.675 8.334 ( -2.591 2.632 0.366) 3.712 8.400 ( -2.527 4.059 1.346) 4.967 8.433 ( 2.909 -5.370 2.286) 6.521 8.521 ( -1.389 -5.124 0.181) 5.312 8.582 ( -1.115 2.029 -3.771) 4.425 8.683 ( -0.427 -6.350 -3.079) 7.070 8.853 ( -0.467 -1.214 0.594) 1.430 8.872 ( -1.674 -3.349 -0.704) 3.810 9.024 ( -0.037 6.228 1.756) 6.471 9.141 ( 5.086 2.036 0.323) 5.487 9.162 ( -1.275 -5.340 2.576) 6.065 9.203 ( 1.127 -3.747 -1.583) 4.221 9.464 ( 0.269 5.286 1.966) 5.646 9.544 ( 4.639 -1.646 0.740) 4.978 9.691 ( -1.305 2.892 0.364) 3.194 9.748 ( -0.304 -2.473 0.355) 2.517 9.776 ( 0.302 4.131 1.612) 4.444 9.823 ( -2.739 -0.165 -1.623) 3.188 9.894 ( -4.187 1.271 -0.271) 4.384 9.961 ( -1.172 -4.371 1.081) 4.652 10.126 ( 0.968 3.052 2.325) 3.957 10.131 ( -2.437 2.923 -0.355) 3.822 10.248 ( -0.860 0.628 1.246) 1.639 10.292 ( 1.709 -3.522 5.407) 6.675 10.357 ( 1.359 1.443 -7.905) 8.150 10.399 ( -1.670 -1.392 -4.460) 4.961 10.517 ( -1.269 4.183 -1.706) 4.693 10.618 ( -3.615 -3.603 -1.163) 5.235 10.753 ( 7.822 2.408 -3.446) 8.880 10.798 ( 7.007 -0.663 -2.445) 7.451 10.933 ( -1.809 1.506 0.434) 2.394 10.992 ( -3.653 -3.270 0.084) 4.904 11.099 ( 4.725 1.646 -2.151) 5.446 11.114 ( 4.103 0.300 -0.461) 4.140 11.373 ( -1.883 3.355 1.968) 4.321 11.401 ( -0.300 1.781 1.835) 2.575 11.498 ( -0.882 0.698 1.948) 2.250 11.525 ( 0.941 -0.972 2.409) 2.763 11.853 ( -5.561 4.804 0.732) 7.385 11.899 ( -4.983 2.619 -0.145) 5.632 12.009 ( -1.868 -1.377 -0.718) 2.430 12.086 ( -2.016 -5.084 -2.873) 6.178 12.206 ( -1.943 2.255 -2.666) 3.996 12.267 ( 1.406 -3.119 -0.955) 3.552 12.338 ( 2.834 2.186 -0.885) 3.687 12.384 ( 1.098 -2.053 -0.281) 2.344 12.533 ( 2.075 1.075 1.248) 2.649 12.571 ( -0.632 -1.767 2.259) 2.937 12.665 ( 5.365 3.070 0.735) 6.224 12.767 ( 6.299 -5.504 -0.329) 8.371 12.982 ( -0.954 2.619 3.410) 4.404 13.035 ( -0.271 -1.233 2.420) 2.730 13.188 ( 2.856 0.726 -0.461) 2.983 13.227 ( 0.812 -2.331 -3.428) 4.224 14.662 ( -3.681 4.144 3.149) 6.375 14.725 ( -5.136 -1.636 -0.575) 5.421 15.308 ( 5.445 1.131 -1.234) 5.696 15.335 ( 8.086 -1.292 0.303) 8.194 15.704 ( -1.538 2.897 -1.781) 3.732 15.725 ( 1.267 0.898 -1.665) 2.276 15.909 ( 3.875 0.568 -0.037) 3.916 15.929 ( 4.242 -0.913 0.280) 4.348 16.600 ( 5.512 1.048 1.774) 5.884 16.623 ( 5.763 -1.165 -0.042) 5.879 16.842 ( 0.452 1.589 -0.499) 1.725 16.874 ( 1.348 -1.335 0.136) 1.902 17.054 ( -3.174 1.034 -0.526) 3.380 17.081 ( -3.687 -1.339 -0.584) 3.966 17.519 ( -7.192 9.068 4.425) 12.391 17.707 ( -7.216 -8.294 -2.414) 11.256 18.037 ( -0.027 3.027 -1.513) 3.384 18.100 ( 2.116 -1.974 0.267) 2.906 18.122 ( -2.668 3.047 -2.261) 4.639 18.207 ( -3.228 -4.005 0.054) 5.144 18.288 ( 4.761 2.767 0.355) 5.518 18.338 ( 3.216 -2.197 2.767) 4.777 18.465 ( 0.421 2.529 -1.710) 3.082 18.501 ( 3.148 -0.787 0.398) 3.269 18.589 ( 0.015 1.520 0.315) 1.553 18.639 ( 0.181 -2.330 -3.100) 3.882 18.726 ( -0.626 -1.344 0.781) 1.675 18.816 ( -0.036 -6.890 -3.559) 7.755 19.036 ( 2.250 2.199 0.160) 3.150 19.076 ( 1.838 -1.461 -1.534) 2.805 20.086 ( -8.102 6.169 6.704) 12.192 20.209 ( -9.473 -4.774 0.185) 10.609 ======================= Grid point 51 (29/54) ======================= q-point: ( 0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 1.518 0.473 -2.364) 2.849 0.785 ( -0.898 -0.415 2.727) 2.901 0.963 ( 2.221 -1.745 -0.139) 2.828 1.041 ( 0.111 -1.607 4.195) 4.494 1.053 ( -2.752 1.874 -3.823) 5.070 1.116 ( -1.853 -2.258 -1.750) 3.405 1.168 ( 2.414 0.046 -0.278) 2.431 1.174 ( 0.528 0.912 1.714) 2.011 1.235 ( -2.019 -0.276 0.334) 2.065 1.265 ( -3.034 -1.443 1.541) 3.696 1.364 ( 0.265 0.375 1.289) 1.368 1.395 ( -3.492 -2.246 2.874) 5.050 1.422 ( 4.253 -0.119 -0.435) 4.277 1.458 ( 4.510 -3.129 -0.704) 5.534 1.581 ( -2.315 1.847 -0.070) 2.962 1.606 ( -0.640 0.307 1.503) 1.662 1.644 ( -0.996 1.554 -0.895) 2.052 1.691 ( 0.049 -2.023 -0.313) 2.048 1.702 ( -1.400 0.201 1.518) 2.075 1.736 ( -3.067 -2.322 2.901) 4.818 1.850 ( 2.629 2.506 -3.714) 5.195 1.922 ( 2.386 -4.060 -0.976) 4.810 1.983 ( 2.449 0.179 -1.471) 2.863 2.006 ( 2.124 -1.914 -2.641) 3.892 2.064 ( 4.761 3.040 0.073) 5.649 2.077 ( 2.947 2.292 -1.878) 4.179 2.211 ( -3.222 0.760 -0.521) 3.351 2.215 ( -1.856 1.330 0.045) 2.283 2.283 ( 0.009 3.417 -2.420) 4.187 2.333 ( 1.254 -0.034 -0.377) 1.310 2.421 ( -0.097 6.103 2.031) 6.433 2.471 ( 0.338 1.136 -2.216) 2.513 2.491 ( 2.843 -1.758 0.084) 3.344 2.583 ( 1.247 -4.938 0.808) 5.157 2.633 ( -0.115 0.735 0.395) 0.842 2.672 ( 0.232 -2.111 -1.509) 2.606 2.728 ( 0.777 -0.229 0.446) 0.925 2.761 ( 3.834 -2.475 0.044) 4.564 2.875 ( -0.273 3.429 0.018) 3.440 2.942 ( 1.082 -0.806 1.282) 1.861 2.966 ( -1.284 1.279 -1.215) 2.182 3.016 ( 1.279 -4.175 0.708) 4.424 3.071 ( 5.672 0.311 2.928) 6.391 3.103 ( 4.997 -2.281 2.028) 5.855 3.235 ( -2.474 1.806 -1.177) 3.281 3.304 ( -1.104 -4.214 -0.943) 4.457 3.346 ( -1.577 1.328 0.120) 2.065 3.376 ( -0.037 -0.447 -0.310) 0.546 3.417 ( -5.042 -1.656 0.745) 5.359 3.435 ( -4.393 -2.909 -1.083) 5.379 3.592 ( -2.525 4.277 -1.837) 5.296 3.676 ( -1.216 -0.922 -1.033) 1.843 3.713 ( -1.930 -0.603 -0.386) 2.058 3.741 ( 1.538 -1.375 0.648) 2.163 3.841 ( -2.357 0.022 1.926) 3.044 3.852 ( -0.577 -2.239 2.381) 3.319 3.959 ( -1.639 0.816 1.675) 2.482 3.993 ( -0.883 -1.364 0.713) 1.774 4.022 ( -1.512 -0.057 0.206) 1.527 4.044 ( -2.570 -1.820 0.296) 3.163 4.252 ( -1.143 3.278 1.506) 3.784 4.277 ( -1.421 1.151 0.330) 1.858 4.401 ( 1.654 4.767 -0.077) 5.046 4.424 ( 1.811 -0.593 -2.560) 3.192 4.438 ( 1.602 -0.892 -2.819) 3.362 4.499 ( 2.356 -2.228 -1.514) 3.579 4.554 ( 1.794 -0.504 0.412) 1.909 4.582 ( 3.088 -2.054 -1.930) 4.181 4.751 ( -2.552 2.059 0.765) 3.367 4.788 ( 1.790 -1.040 2.144) 2.980 4.958 ( -2.551 3.148 0.540) 4.088 5.013 ( -1.972 -1.495 2.072) 3.228 5.048 ( -1.908 3.443 2.977) 4.936 5.113 ( -3.487 1.668 -0.773) 3.941 5.144 ( -1.526 -1.544 -3.543) 4.155 5.203 ( 1.367 -1.653 -3.069) 3.744 5.322 ( 1.525 2.434 0.563) 2.927 5.356 ( 1.956 1.759 0.092) 2.632 5.390 ( -1.877 -2.840 0.802) 3.498 5.406 ( 2.255 -2.100 0.695) 3.159 5.574 ( -4.190 0.784 -0.487) 4.290 5.605 ( 1.021 -1.302 -0.160) 1.663 5.645 ( -4.219 0.271 1.075) 4.362 5.686 ( -4.936 -2.869 -1.597) 5.928 5.811 ( -1.777 2.935 0.800) 3.523 5.896 ( 0.745 -4.335 0.742) 4.460 6.007 ( 1.174 3.282 3.331) 4.821 6.047 ( 1.059 0.322 1.520) 1.880 6.114 ( -0.389 1.928 0.348) 1.997 6.172 ( -0.031 -3.753 1.108) 3.914 6.266 ( 5.360 3.086 -2.434) 6.647 6.301 ( 1.225 -1.309 -3.634) 4.052 6.361 ( -2.061 2.325 -0.493) 3.146 6.433 ( -2.671 -0.270 0.873) 2.822 6.520 ( -1.049 -0.080 1.472) 1.809 6.572 ( -2.546 -1.190 0.082) 2.812 6.628 ( -0.572 -1.787 3.556) 4.021 6.658 ( -0.651 -3.356 -2.456) 4.209 6.832 ( 3.236 5.251 0.168) 6.170 6.862 ( -2.253 1.373 0.699) 2.729 6.929 ( -0.422 -0.908 -0.798) 1.280 6.963 ( -2.723 -2.788 0.331) 3.911 7.020 ( -1.641 3.269 1.065) 3.810 7.077 ( -2.800 -2.521 -1.672) 4.122 7.174 ( 3.230 0.922 -0.321) 3.375 7.226 ( 0.723 -3.251 0.034) 3.331 7.319 ( -6.204 2.458 -0.098) 6.674 7.397 ( 1.456 -3.421 1.025) 3.857 7.505 ( 3.211 7.910 1.076) 8.604 7.610 ( -1.985 0.015 -1.245) 2.343 7.761 ( 5.806 7.489 -2.009) 9.686 7.849 ( 6.521 -1.443 0.890) 6.738 7.936 ( -0.729 4.146 3.342) 5.375 7.963 ( -5.195 2.749 -0.368) 5.889 8.092 ( -1.662 0.052 -2.203) 2.760 8.110 ( -0.753 -1.750 -1.741) 2.581 8.209 ( -1.328 -1.345 -1.179) 2.228 8.286 ( -3.946 -0.153 2.248) 4.544 8.326 ( -3.726 2.275 0.457) 4.390 8.347 ( -0.836 -6.171 -1.158) 6.334 8.468 ( -1.768 -5.408 -1.192) 5.813 8.492 ( -0.088 -5.300 -1.189) 5.432 8.567 ( -2.422 -2.407 -2.685) 4.344 8.595 ( 4.890 -4.063 -1.345) 6.498 8.844 ( -1.221 -0.022 0.271) 1.251 8.900 ( 0.281 -5.487 0.931) 5.572 9.078 ( 1.934 5.143 3.060) 6.289 9.137 ( -0.496 -1.031 0.008) 1.144 9.219 ( 3.522 2.199 -1.134) 4.304 9.291 ( 6.629 -3.379 3.115) 8.067 9.494 ( 1.309 7.886 0.672) 8.022 9.600 ( 3.688 -1.693 -1.580) 4.355 9.671 ( -0.221 2.520 -1.543) 2.963 9.714 ( -3.506 -0.327 1.180) 3.713 9.773 ( -1.970 -0.749 0.932) 2.304 9.786 ( -1.429 -1.943 0.738) 2.523 9.888 ( -0.880 3.134 3.511) 4.788 9.950 ( -2.276 -2.397 -0.062) 3.306 10.082 ( -2.680 2.952 -2.753) 4.846 10.145 ( 0.653 -1.024 -0.913) 1.519 10.211 ( -1.078 0.498 -6.638) 6.743 10.252 ( -2.889 -1.566 -1.479) 3.603 10.295 ( -3.296 4.525 3.335) 6.516 10.390 ( -3.324 -3.811 4.796) 6.970 10.556 ( 5.338 2.708 0.338) 5.995 10.616 ( 1.963 -2.165 1.905) 3.489 10.823 ( 3.778 3.750 -1.727) 5.596 10.888 ( 6.901 -1.001 -1.373) 7.107 10.954 ( 2.093 -1.199 1.623) 2.907 10.971 ( 3.179 -1.726 1.062) 3.770 11.126 ( 2.627 2.389 -1.820) 3.991 11.158 ( 2.699 -0.531 -0.500) 2.796 11.360 ( -2.122 3.316 0.428) 3.960 11.399 ( -3.145 0.321 0.692) 3.236 11.510 ( -0.280 1.989 1.454) 2.480 11.559 ( 0.172 -1.844 0.676) 1.971 11.736 ( -6.880 6.347 -1.444) 9.471 11.828 ( -5.038 -1.126 0.946) 5.248 11.977 ( -1.647 -1.481 -0.310) 2.236 12.004 ( -4.044 -3.003 -1.717) 5.321 12.161 ( -0.478 5.942 -0.627) 5.994 12.270 ( -0.518 -3.299 0.429) 3.367 12.348 ( 0.582 1.686 -1.065) 2.077 12.384 ( -0.255 -2.276 -0.182) 2.298 12.597 ( 4.731 -0.470 -0.247) 4.761 12.612 ( 3.224 -1.206 0.347) 3.460 12.772 ( 5.319 2.519 1.496) 6.072 12.860 ( 4.818 -5.428 -0.129) 7.259 12.959 ( -1.273 4.124 -1.702) 4.639 13.038 ( -0.705 -2.708 -1.404) 3.130 13.231 ( 3.342 1.302 0.168) 3.590 13.260 ( 2.685 -0.963 2.308) 3.670 14.601 ( -6.389 1.347 -1.062) 6.616 14.620 ( -6.047 -0.310 0.280) 6.061 15.392 ( 5.822 5.123 0.162) 7.757 15.495 ( 8.038 -4.204 1.975) 9.284 15.680 ( 2.453 3.804 -1.092) 4.656 15.741 ( 4.689 -1.806 -2.081) 5.439 15.972 ( 3.760 1.249 0.488) 3.992 16.003 ( 3.808 -1.520 0.728) 4.164 16.704 ( 5.608 1.575 -0.517) 5.848 16.733 ( 6.243 -0.758 1.406) 6.444 16.841 ( 0.834 2.256 -0.816) 2.540 16.890 ( 0.344 -2.237 0.068) 2.265 16.996 ( -3.701 0.924 0.215) 3.821 17.026 ( -2.745 -1.495 0.414) 3.153 17.451 ( -8.948 5.671 3.424) 11.134 17.536 ( -8.699 -2.549 -2.659) 9.447 18.021 ( -0.533 3.199 0.261) 3.253 18.084 ( 1.008 2.690 -0.959) 3.029 18.105 ( -0.874 -3.667 -0.483) 3.801 18.176 ( 0.391 -4.711 -1.120) 4.858 18.372 ( 2.818 3.787 1.135) 4.855 18.420 ( 1.568 -1.029 1.877) 2.654 18.453 ( 0.378 4.195 -0.295) 4.222 18.533 ( 0.469 -1.181 -1.462) 1.937 18.583 ( 0.550 0.010 1.509) 1.606 18.602 ( 0.228 -1.766 -2.009) 2.684 18.729 ( -1.395 -3.535 -0.559) 3.841 18.768 ( 0.737 -6.216 -0.828) 6.314 19.121 ( 5.516 1.337 2.612) 6.248 19.135 ( 5.781 -0.040 0.528) 5.805 19.980 ( -12.653 1.696 1.473) 12.851 20.013 ( -12.610 -1.137 -2.851) 12.978 ======================= Grid point 52 (30/54) ======================= q-point: ( 0.43 0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 2.277 -1.591 -3.024) 4.106 0.793 ( 0.070 -5.640 -1.513) 5.840 0.960 ( 1.427 0.727 -2.390) 2.877 1.012 ( 1.341 3.128 1.496) 3.717 1.045 ( -0.349 -2.997 -0.501) 3.059 1.096 ( -1.673 -2.313 0.072) 2.855 1.144 ( -6.006 2.815 3.439) 7.472 1.185 ( 0.819 0.524 -1.388) 1.695 1.251 ( 1.192 -0.978 0.623) 1.663 1.283 ( -0.070 -2.999 2.460) 3.880 1.357 ( -3.776 -0.559 0.973) 3.939 1.374 ( -0.740 -0.868 0.376) 1.201 1.443 ( 1.508 -0.045 -2.562) 2.973 1.467 ( 2.615 -2.769 -4.335) 5.770 1.553 ( -1.631 3.731 0.143) 4.074 1.590 ( -0.852 0.507 -1.439) 1.747 1.644 ( 0.093 0.564 -0.067) 0.575 1.678 ( 0.033 -2.532 -0.829) 2.664 1.710 ( -0.748 0.293 0.753) 1.101 1.738 ( -1.180 -1.909 1.100) 2.500 1.855 ( 3.089 2.257 -1.444) 4.089 1.924 ( 2.138 -3.892 -1.949) 4.849 2.018 ( 1.777 -0.056 0.476) 1.841 2.030 ( 1.825 -0.713 1.260) 2.330 2.115 ( 3.480 3.328 -1.013) 4.921 2.143 ( 3.582 1.464 0.632) 3.921 2.152 ( -2.625 0.441 0.862) 2.798 2.191 ( -2.602 -1.342 1.015) 3.099 2.270 ( 2.434 3.951 -1.565) 4.897 2.344 ( 0.791 -0.241 0.214) 0.854 2.445 ( 0.805 2.101 -0.020) 2.250 2.455 ( -0.336 5.805 -1.025) 5.905 2.511 ( -1.305 -2.652 -0.995) 3.119 2.563 ( -2.434 -2.364 -1.720) 3.805 2.620 ( 1.136 1.041 -0.624) 1.662 2.680 ( 1.072 -3.155 1.028) 3.487 2.742 ( 0.450 1.149 -0.324) 1.276 2.768 ( 1.403 -1.005 -3.114) 3.560 2.874 ( -0.803 3.193 0.641) 3.355 2.934 ( -0.338 1.049 -0.126) 1.109 2.995 ( -0.322 -0.797 -0.059) 0.862 3.004 ( 1.348 -3.776 1.489) 4.277 3.155 ( -0.599 -0.435 -0.206) 0.768 3.160 ( -0.933 -1.053 0.310) 1.441 3.219 ( -1.747 -0.510 1.181) 2.169 3.261 ( -0.071 -3.946 1.640) 4.274 3.333 ( -0.093 -0.176 -2.022) 2.032 3.344 ( -2.252 -1.069 -1.211) 2.772 3.402 ( 2.285 -0.106 2.007) 3.042 3.449 ( 3.856 -2.601 2.015) 5.069 3.570 ( -0.098 2.117 0.455) 2.168 3.625 ( 0.008 -1.515 -1.602) 2.205 3.717 ( -1.743 1.498 3.148) 3.898 3.761 ( -1.391 -1.264 1.810) 2.609 3.837 ( -0.237 0.305 -0.392) 0.551 3.875 ( -0.214 -3.835 1.831) 4.255 3.935 ( -1.399 0.396 -1.686) 2.226 3.970 ( -0.288 -0.770 -2.402) 2.538 4.004 ( -1.798 -0.004 -0.384) 1.839 4.034 ( -0.986 -1.932 3.267) 3.922 4.240 ( -1.022 1.227 -2.324) 2.820 4.252 ( -0.994 0.770 -0.464) 1.340 4.381 ( -0.616 5.697 -1.617) 5.954 4.420 ( 2.097 2.444 1.030) 3.381 4.472 ( 2.194 -0.897 -2.011) 3.108 4.518 ( 2.444 -1.718 -0.388) 3.013 4.560 ( 0.590 -1.962 1.546) 2.567 4.603 ( 0.589 -3.266 0.557) 3.365 4.721 ( -2.109 6.195 -0.196) 6.547 4.825 ( 0.363 -2.296 -1.540) 2.788 4.916 ( -2.376 3.624 -2.859) 5.192 4.991 ( -1.623 -2.457 -1.231) 3.191 5.045 ( -2.714 3.037 0.444) 4.098 5.088 ( -0.676 2.464 1.949) 3.214 5.130 ( -0.083 -1.467 3.434) 3.735 5.194 ( 1.504 -4.831 1.511) 5.281 5.350 ( 2.315 3.351 -0.280) 4.082 5.389 ( 0.395 1.147 0.852) 1.482 5.393 ( 2.850 0.922 -3.169) 4.360 5.432 ( 1.611 -2.347 -1.420) 3.181 5.504 ( -1.864 -0.765 -1.051) 2.272 5.557 ( -1.798 -3.884 -1.688) 4.601 5.599 ( -3.477 1.547 0.132) 3.808 5.649 ( -1.579 -2.718 2.459) 3.991 5.802 ( 0.057 4.285 0.049) 4.285 5.904 ( 0.509 -4.392 -0.843) 4.501 6.045 ( -1.141 4.537 0.501) 4.705 6.094 ( 1.494 2.221 1.286) 2.970 6.119 ( -1.659 -1.951 0.217) 2.570 6.154 ( -0.895 -2.548 0.342) 2.722 6.269 ( 0.387 2.484 -0.957) 2.690 6.317 ( 1.038 -2.527 -1.514) 3.123 6.352 ( 1.658 5.378 3.302) 6.526 6.420 ( -0.861 0.577 1.356) 1.707 6.516 ( -2.843 -0.850 2.266) 3.733 6.549 ( -1.706 -3.681 1.403) 4.293 6.661 ( 1.372 -0.010 1.582) 2.094 6.691 ( -0.310 -2.184 4.795) 5.278 6.829 ( -2.454 1.892 1.272) 3.350 6.874 ( 0.096 -2.513 -1.615) 2.988 6.898 ( -0.825 2.804 0.860) 3.047 6.937 ( -1.840 -0.837 0.250) 2.037 7.033 ( 1.067 2.519 0.651) 2.812 7.061 ( 2.696 -0.592 1.057) 2.956 7.192 ( -1.352 -0.690 -0.372) 1.562 7.220 ( -0.417 -2.554 -0.419) 2.621 7.268 ( -1.570 4.634 2.938) 5.707 7.412 ( -2.228 -6.871 2.147) 7.536 7.548 ( -0.136 6.738 0.532) 6.760 7.617 ( 1.606 3.511 2.957) 4.864 7.794 ( 4.076 7.609 -3.358) 9.263 7.853 ( -3.642 1.996 -5.061) 6.547 7.929 ( 2.946 0.327 -5.060) 5.865 7.937 ( -0.245 1.029 -0.815) 1.336 8.067 ( 4.196 3.121 -1.236) 5.374 8.098 ( -0.301 -0.410 -0.873) 1.011 8.157 ( -0.613 -4.161 -1.241) 4.385 8.252 ( -3.860 -6.096 0.565) 7.237 8.268 ( -1.191 3.091 -1.242) 3.538 8.362 ( 1.314 -5.805 2.385) 6.412 8.395 ( -2.571 -4.988 -3.226) 6.473 8.452 ( -2.694 -6.153 1.289) 6.840 8.555 ( 2.415 2.124 -2.843) 4.292 8.640 ( 3.194 -7.095 -2.237) 8.096 8.829 ( -0.233 0.031 -0.470) 0.526 8.899 ( 0.192 -5.939 -0.921) 6.013 9.136 ( -0.555 0.799 1.185) 1.533 9.148 ( 0.951 0.078 2.658) 2.824 9.245 ( 1.117 8.457 -0.646) 8.555 9.394 ( 1.167 -4.337 1.076) 4.618 9.520 ( 2.240 6.277 -1.199) 6.772 9.595 ( -0.407 -0.418 -2.381) 2.451 9.659 ( 1.103 2.094 -0.051) 2.367 9.725 ( 0.481 -0.122 2.020) 2.081 9.770 ( -1.075 -1.145 1.425) 2.120 9.781 ( -1.770 -1.665 1.576) 2.896 9.871 ( -5.345 1.572 -0.524) 5.596 9.904 ( -0.381 -1.882 -0.235) 1.934 10.026 ( 1.051 3.826 -0.925) 4.074 10.121 ( 0.902 -4.247 -3.292) 5.449 10.156 ( 1.458 0.863 -1.937) 2.574 10.206 ( -1.520 -2.637 -0.756) 3.136 10.315 ( -2.006 5.614 4.869) 7.698 10.404 ( -2.341 -2.481 3.676) 5.015 10.639 ( 1.572 1.732 2.830) 3.672 10.668 ( -0.012 -0.762 2.400) 2.518 10.837 ( 1.239 3.652 -0.657) 3.912 10.902 ( 0.650 -1.320 -1.786) 2.314 11.050 ( 4.691 1.982 1.888) 5.432 11.100 ( 3.854 -2.717 2.548) 5.360 11.135 ( 1.556 3.297 1.092) 3.806 11.187 ( 0.607 -1.810 1.483) 2.417 11.325 ( -1.130 2.125 -1.041) 2.622 11.344 ( -2.916 0.559 -0.453) 3.004 11.507 ( -1.612 0.893 -0.502) 1.910 11.534 ( -1.771 -0.584 -1.483) 2.383 11.657 ( -1.094 5.600 -1.345) 5.863 11.765 ( -3.304 -3.618 -1.192) 5.043 11.940 ( -0.497 0.243 -0.839) 1.005 11.960 ( -0.764 -1.753 0.118) 1.915 12.175 ( -0.084 6.209 2.894) 6.851 12.276 ( -0.278 -1.904 1.675) 2.551 12.346 ( 0.822 1.450 -0.241) 1.684 12.378 ( -0.317 -2.705 0.339) 2.745 12.647 ( 2.488 -1.206 -1.340) 3.072 12.652 ( 1.710 -1.481 -0.914) 2.440 12.814 ( 0.559 2.618 -2.059) 3.378 12.865 ( -0.647 -1.115 -2.347) 2.678 12.970 ( 3.012 0.230 -0.207) 3.028 13.020 ( 2.072 -3.363 -0.970) 4.067 13.286 ( 0.991 1.751 1.107) 2.297 13.302 ( -0.611 0.438 1.145) 1.369 14.523 ( -1.624 1.098 0.069) 1.962 14.551 ( -2.840 -1.412 0.518) 3.214 15.455 ( 1.171 5.998 0.469) 6.129 15.549 ( -0.505 -2.014 -0.836) 2.238 15.755 ( 5.471 2.289 -0.299) 5.938 15.829 ( 6.690 -3.561 1.992) 7.836 16.014 ( -0.059 1.821 0.505) 1.890 16.047 ( -0.237 -1.480 0.836) 1.716 16.756 ( 2.100 2.232 -0.213) 3.072 16.797 ( 0.328 -1.510 0.417) 1.601 16.858 ( 2.531 1.468 0.009) 2.926 16.898 ( 0.525 -2.057 1.060) 2.372 16.957 ( -2.421 2.104 0.993) 3.358 17.027 ( -0.116 -4.138 2.436) 4.803 17.341 ( -5.791 5.393 -2.129) 8.194 17.406 ( -3.209 -1.115 -3.155) 4.636 18.029 ( -0.814 1.911 2.364) 3.147 18.084 ( -0.727 -3.368 0.048) 3.445 18.116 ( 1.902 2.107 1.235) 3.096 18.180 ( 1.349 -3.661 -0.715) 3.967 18.376 ( 0.063 3.452 -2.075) 4.028 18.412 ( -0.924 0.828 -1.942) 2.305 18.478 ( 0.410 3.703 1.317) 3.952 18.518 ( 0.608 -0.155 -0.916) 1.110 18.594 ( 0.127 -1.488 -0.204) 1.507 18.634 ( -0.156 -4.403 3.895) 5.881 18.714 ( 0.509 0.086 0.956) 1.087 18.804 ( 0.906 -6.126 2.907) 6.841 19.212 ( 2.391 1.684 -0.425) 2.955 19.230 ( 2.700 0.211 1.787) 3.245 19.781 ( -6.534 1.402 -5.924) 8.930 19.815 ( -5.587 -1.502 -3.590) 6.808 ======================= Grid point 53 (31/54) ======================= q-point: (-0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( -1.495 -2.427 -2.404) 3.729 0.778 ( 1.765 -5.243 -1.199) 5.661 0.950 ( -1.085 0.146 -2.397) 2.635 1.006 ( -6.442 3.304 -1.148) 7.330 1.047 ( 0.877 -0.303 -0.210) 0.951 1.102 ( 4.677 0.524 1.569) 4.961 1.151 ( -0.318 -1.692 -1.335) 2.179 1.159 ( -1.871 -1.740 3.495) 4.329 1.267 ( 0.938 0.193 1.331) 1.640 1.300 ( -1.132 -2.110 0.182) 2.402 1.338 ( -0.172 0.742 0.633) 0.990 1.374 ( 0.452 -2.564 -0.263) 2.617 1.420 ( 0.311 -0.297 -2.862) 2.894 1.442 ( 2.218 -2.094 -3.723) 4.813 1.533 ( -0.606 0.771 -2.103) 2.320 1.548 ( -0.891 -0.131 -0.599) 1.081 1.628 ( -0.966 0.725 -0.894) 1.503 1.642 ( -2.509 -0.221 -0.439) 2.557 1.704 ( -0.268 -0.412 -0.339) 0.598 1.729 ( -1.068 -2.437 0.363) 2.685 1.880 ( -0.758 4.124 1.217) 4.366 1.947 ( 1.172 -1.975 1.323) 2.651 2.039 ( -0.424 0.524 -0.258) 0.722 2.054 ( 0.801 0.266 -0.547) 1.005 2.123 ( 1.428 2.427 -1.801) 3.343 2.154 ( -0.913 0.081 2.346) 2.519 2.173 ( 1.566 0.586 -0.113) 1.676 2.205 ( 2.415 -1.122 0.947) 2.826 2.295 ( 1.330 4.128 -0.329) 4.350 2.384 ( -1.899 0.302 0.564) 2.003 2.401 ( 1.086 3.330 -0.363) 3.521 2.436 ( -0.879 -2.376 -3.100) 4.003 2.481 ( -1.407 -0.256 -3.463) 3.747 2.501 ( 1.571 -0.523 -0.621) 1.768 2.635 ( 0.628 2.921 0.446) 3.021 2.715 ( 0.384 -2.928 1.361) 3.252 2.727 ( 0.482 0.393 -1.685) 1.796 2.755 ( 0.679 -0.527 -0.962) 1.290 2.867 ( -1.152 1.512 0.267) 1.920 2.923 ( -0.573 -2.359 -0.510) 2.481 3.007 ( 0.543 2.928 2.473) 3.871 3.051 ( -0.863 -0.102 1.539) 1.767 3.103 ( -3.293 -1.844 -1.532) 4.073 3.133 ( -3.037 -3.853 0.142) 4.908 3.225 ( -0.138 -0.679 0.830) 1.081 3.246 ( 1.598 -2.684 -0.917) 3.255 3.313 ( 0.487 1.461 -1.027) 1.851 3.351 ( 2.594 -2.083 -0.933) 3.455 3.466 ( -1.255 0.511 4.032) 4.253 3.524 ( -1.031 -3.749 3.896) 5.504 3.587 ( 1.646 3.308 0.781) 3.776 3.630 ( 2.820 1.121 -0.845) 3.151 3.733 ( -1.324 0.454 1.894) 2.355 3.769 ( 0.148 -2.140 1.558) 2.652 3.814 ( -0.044 0.282 -2.608) 2.623 3.853 ( -2.765 -3.547 -0.857) 4.578 3.902 ( -0.222 1.654 -0.488) 1.738 3.951 ( -1.351 -1.596 -0.678) 2.198 3.978 ( 1.356 2.264 0.381) 2.667 4.044 ( -1.406 -3.647 -1.029) 4.042 4.233 ( 1.341 0.881 2.216) 2.736 4.258 ( 2.200 -1.308 1.155) 2.808 4.376 ( 3.240 5.385 -1.634) 6.493 4.441 ( 1.393 -1.576 -3.325) 3.935 4.504 ( 3.647 3.627 1.165) 5.273 4.544 ( -2.653 0.370 2.136) 3.426 4.582 ( -2.130 -2.074 -2.004) 3.585 4.599 ( 1.384 -2.340 -0.082) 2.719 4.686 ( -0.763 1.543 0.090) 1.724 4.735 ( -3.800 -1.366 -4.148) 5.789 4.901 ( 1.113 2.690 2.091) 3.584 4.972 ( 1.739 -2.979 -0.516) 3.488 5.017 ( -2.273 2.778 1.866) 4.045 5.079 ( -1.166 -2.097 -1.351) 2.754 5.173 ( 0.630 3.641 0.260) 3.704 5.243 ( 0.911 -1.886 -5.093) 5.507 5.340 ( -0.682 -1.619 -0.905) 1.976 5.355 ( -2.688 -2.190 -1.039) 3.620 5.391 ( 0.366 0.629 1.714) 1.862 5.426 ( -0.616 -2.496 -0.336) 2.593 5.497 ( 2.904 4.647 1.293) 5.630 5.591 ( 1.901 -1.676 0.301) 2.552 5.604 ( 3.755 1.197 1.134) 4.101 5.666 ( 2.698 -2.710 -0.050) 3.824 5.811 ( 0.010 3.681 0.881) 3.785 5.899 ( 0.145 -3.511 -0.408) 3.537 5.998 ( -4.384 3.715 -0.001) 5.746 6.058 ( -2.726 -1.929 -0.479) 3.373 6.129 ( -0.534 0.531 1.642) 1.807 6.148 ( -1.754 -1.511 0.986) 2.517 6.294 ( 2.078 2.245 -0.461) 3.093 6.322 ( 2.463 -0.043 -0.749) 2.574 6.414 ( -0.390 3.193 2.351) 3.985 6.435 ( -0.505 1.713 1.976) 2.664 6.534 ( -0.029 -2.652 3.777) 4.615 6.555 ( -1.141 -3.956 2.674) 4.909 6.699 ( -2.055 2.178 4.079) 5.060 6.736 ( -0.344 -0.475 3.005) 3.061 6.824 ( -0.118 0.790 -1.106) 1.365 6.839 ( -0.957 -0.429 -0.479) 1.153 6.913 ( 2.289 0.933 0.312) 2.491 6.940 ( 1.752 -0.700 1.241) 2.258 7.086 ( -1.136 4.271 6.077) 7.514 7.146 ( 6.268 0.197 0.674) 6.307 7.185 ( 3.315 -2.136 -1.722) 4.303 7.231 ( 0.670 -3.696 1.392) 4.006 7.289 ( -1.809 2.742 2.534) 4.149 7.395 ( -2.838 -6.028 1.603) 6.853 7.534 ( -2.106 7.332 -0.105) 7.629 7.672 ( 0.860 -2.033 -0.968) 2.410 7.695 ( -1.736 4.478 -7.807) 9.167 7.825 ( -3.881 -3.433 -3.244) 6.113 7.846 ( 3.109 5.956 0.595) 6.745 7.945 ( 0.786 -3.463 -2.367) 4.268 8.040 ( 1.253 5.968 -3.127) 6.853 8.133 ( 3.542 4.478 0.143) 5.711 8.163 ( 0.561 -2.785 -1.898) 3.417 8.218 ( -1.729 -1.840 -0.106) 2.527 8.248 ( 1.881 -0.776 -1.762) 2.692 8.341 ( 1.488 -2.753 -2.959) 4.307 8.409 ( 2.348 -3.481 -1.810) 4.572 8.443 ( -1.517 -6.790 2.005) 7.241 8.573 ( 4.069 0.661 -0.146) 4.125 8.633 ( 0.781 -6.305 -1.443) 6.515 8.823 ( 1.074 -0.132 -1.360) 1.738 8.887 ( 0.644 -5.739 -1.989) 6.108 9.118 ( -4.444 2.411 1.682) 5.328 9.164 ( -2.382 -0.169 0.377) 2.418 9.257 ( -0.526 5.965 1.790) 6.250 9.365 ( -5.090 -2.860 1.500) 6.028 9.478 ( -3.175 4.805 -3.708) 6.849 9.581 ( 3.305 -4.511 -3.154) 6.420 9.690 ( 0.121 2.125 1.674) 2.708 9.732 ( -2.118 0.705 1.324) 2.596 9.777 ( 0.260 -1.647 0.865) 1.879 9.784 ( 0.421 1.880 1.005) 2.173 9.799 ( -1.443 4.751 0.367) 4.979 9.959 ( 2.517 -5.704 1.610) 6.439 10.029 ( 2.132 3.080 -1.675) 4.103 10.109 ( 1.864 -3.913 -1.184) 4.493 10.169 ( -1.039 1.286 -1.250) 2.072 10.194 ( 3.770 -1.519 -0.261) 4.073 10.365 ( 0.653 3.525 3.404) 4.944 10.422 ( 0.623 -1.380 1.562) 2.175 10.674 ( -3.237 0.033 4.023) 5.163 10.683 ( -3.060 -0.539 4.148) 5.183 10.849 ( 1.062 2.533 -0.118) 2.749 10.892 ( 1.131 -0.436 -1.503) 1.931 11.053 ( -6.226 2.922 1.089) 6.963 11.085 ( -4.550 -0.521 1.087) 4.707 11.208 ( -0.030 2.475 2.965) 3.862 11.221 ( -2.239 1.351 1.986) 3.283 11.318 ( 0.214 1.368 -0.540) 1.486 11.346 ( 3.589 0.120 1.414) 3.859 11.459 ( -1.008 0.660 -2.254) 2.556 11.503 ( 0.265 -1.861 -2.774) 3.351 11.648 ( 3.689 4.380 -1.479) 5.915 11.721 ( 2.913 -2.084 -2.997) 4.670 11.946 ( 1.223 0.382 -0.160) 1.291 11.978 ( 3.299 -2.481 0.076) 4.128 12.226 ( -0.011 4.929 4.079) 6.398 12.299 ( -0.158 -0.834 1.665) 1.869 12.363 ( 0.958 0.719 0.031) 1.198 12.388 ( -0.084 -2.303 1.150) 2.575 12.606 ( -2.474 1.527 -2.660) 3.941 12.648 ( -1.571 -2.410 -0.639) 2.947 12.772 ( -1.786 1.852 -2.826) 3.822 12.836 ( 3.336 -2.985 -2.612) 5.183 12.984 ( -2.768 0.885 0.097) 2.908 13.029 ( -0.529 -2.571 -1.172) 2.875 13.279 ( -2.016 1.318 0.673) 2.501 13.299 ( -1.281 -0.542 1.420) 1.988 14.545 ( 1.516 1.565 0.589) 2.257 14.565 ( 3.482 -0.321 1.064) 3.655 15.450 ( -1.559 2.589 0.224) 3.031 15.501 ( -2.159 -1.888 -2.525) 3.821 15.801 ( -2.831 6.112 3.362) 7.528 15.919 ( -3.150 -4.233 3.441) 6.299 15.988 ( -0.879 1.421 -1.204) 2.060 16.011 ( -2.651 -0.410 -0.942) 2.843 16.769 ( -2.266 0.593 0.191) 2.350 16.781 ( -1.953 -0.700 0.378) 2.109 16.899 ( -0.456 1.246 0.661) 1.483 16.910 ( -0.376 1.172 1.233) 1.742 16.978 ( 1.550 0.270 2.421) 2.887 17.043 ( -3.366 -3.798 2.934) 5.862 17.252 ( 2.376 5.507 -5.240) 7.965 17.387 ( 8.694 -7.211 -3.238) 11.750 18.059 ( -0.491 1.783 3.318) 3.798 18.100 ( 0.349 -2.054 1.947) 2.852 18.152 ( 0.537 1.467 0.991) 1.850 18.179 ( 0.099 -1.556 -1.257) 2.003 18.347 ( -0.440 2.435 -1.168) 2.736 18.377 ( -0.516 -0.051 -0.937) 1.071 18.486 ( 0.899 2.033 -1.403) 2.629 18.528 ( 1.341 0.334 -1.334) 1.920 18.587 ( -1.866 0.742 1.792) 2.691 18.663 ( -0.843 -4.935 1.582) 5.250 18.759 ( -0.363 1.799 3.988) 4.391 18.859 ( 0.531 -5.910 2.704) 6.521 19.180 ( -5.091 1.750 0.794) 5.441 19.217 ( -5.307 -1.808 0.767) 5.658 19.695 ( 7.074 5.287 -7.071) 11.313 19.783 ( 9.925 -2.470 -6.146) 11.932 ======================= Grid point 54 (32/54) ======================= q-point: (-0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -1.977 0.661 0.767) 2.221 0.784 ( -1.144 -2.975 -0.679) 3.259 0.861 ( -4.036 0.716 -3.111) 5.146 0.909 ( -2.746 5.138 -1.028) 5.916 1.016 ( -4.688 -3.333 -0.797) 5.807 1.082 ( -1.520 -6.181 -1.554) 6.553 1.171 ( 2.050 3.087 1.377) 3.954 1.214 ( -0.784 0.092 2.139) 2.280 1.260 ( -2.017 -0.160 -1.872) 2.756 1.280 ( -0.610 -2.169 -2.379) 3.277 1.346 ( -0.141 -0.467 0.672) 0.830 1.380 ( -0.060 -2.398 0.630) 2.480 1.415 ( 1.701 -0.005 2.217) 2.794 1.440 ( 1.452 -1.633 1.433) 2.613 1.523 ( 3.738 1.395 -1.452) 4.246 1.563 ( 2.468 -1.817 -0.555) 3.114 1.600 ( -1.456 0.352 0.117) 1.503 1.621 ( 0.133 -1.570 -0.360) 1.616 1.688 ( -0.853 2.454 -0.434) 2.634 1.729 ( 0.809 -1.643 -0.055) 1.832 1.850 ( -3.257 8.631 -0.623) 9.246 1.983 ( -0.677 -3.144 1.281) 3.462 2.017 ( -0.859 1.835 0.526) 2.093 2.037 ( -1.126 0.518 -0.441) 1.315 2.148 ( -1.766 3.553 -1.582) 4.272 2.168 ( 0.390 0.564 0.840) 1.085 2.189 ( 4.017 -2.880 -0.542) 4.972 2.250 ( 1.504 -3.023 -1.060) 3.539 2.295 ( -1.697 2.474 -1.032) 3.173 2.312 ( -1.186 0.042 -5.550) 5.675 2.345 ( 1.089 0.913 -0.809) 1.636 2.417 ( 1.384 -1.094 0.629) 1.873 2.501 ( 4.388 1.115 0.029) 4.527 2.543 ( 1.397 -1.177 0.523) 1.900 2.634 ( -2.741 3.565 1.104) 4.630 2.705 ( -2.622 -1.144 0.061) 2.861 2.716 ( 0.535 -0.490 -0.302) 0.786 2.749 ( -2.050 -2.128 -0.477) 2.993 2.862 ( 0.283 0.271 1.387) 1.442 2.903 ( -1.646 -2.986 -0.453) 3.440 2.995 ( -3.842 3.584 0.190) 5.258 3.046 ( -1.332 0.207 2.136) 2.526 3.063 ( -4.891 -2.748 -1.235) 5.744 3.076 ( -1.816 -1.347 2.521) 3.386 3.227 ( -0.998 -0.393 -2.801) 3.000 3.235 ( 0.091 -1.113 -0.852) 1.404 3.328 ( 2.607 1.868 -1.638) 3.601 3.392 ( 4.484 -2.916 -2.158) 5.768 3.492 ( 0.747 2.728 2.406) 3.713 3.560 ( 1.868 -1.592 1.331) 2.792 3.601 ( -1.408 2.372 2.778) 3.915 3.671 ( 1.021 -2.444 -1.623) 3.106 3.754 ( 0.852 1.151 2.342) 2.745 3.769 ( -3.954 -0.981 -1.232) 4.256 3.795 ( 1.359 -0.371 0.057) 1.410 3.820 ( 2.355 -2.905 2.024) 4.252 3.904 ( -1.740 -1.859 0.816) 2.674 3.905 ( -1.663 -1.654 -0.646) 2.432 4.046 ( 3.026 2.094 2.056) 4.215 4.067 ( 4.460 0.445 3.399) 5.625 4.264 ( 1.290 1.053 -2.479) 2.986 4.294 ( 0.298 -1.517 -1.724) 2.316 4.403 ( -1.572 2.715 -3.196) 4.479 4.431 ( 4.138 1.055 1.086) 4.406 4.458 ( -4.405 0.630 -0.623) 4.493 4.507 ( -2.284 -2.877 -1.187) 3.861 4.571 ( 2.696 0.031 -1.313) 2.999 4.616 ( 1.674 -2.238 -1.399) 3.126 4.680 ( -1.034 0.399 2.704) 2.923 4.731 ( 1.305 -3.253 3.605) 5.029 4.926 ( -2.969 2.434 -1.629) 4.171 4.986 ( -0.432 -2.051 -5.133) 5.545 5.027 ( 1.616 1.698 2.870) 3.706 5.039 ( 0.304 0.467 -0.458) 0.722 5.110 ( -0.614 3.443 -3.826) 5.184 5.175 ( -0.972 -2.058 0.251) 2.290 5.290 ( 0.349 2.180 -0.611) 2.291 5.370 ( 1.064 -4.287 -1.552) 4.682 5.431 ( -1.118 1.759 1.878) 2.806 5.465 ( 1.294 -1.715 3.687) 4.267 5.540 ( 4.389 2.452 -2.766) 5.738 5.598 ( 2.589 -0.841 -1.314) 3.023 5.672 ( 1.461 0.746 -0.458) 1.703 5.709 ( 1.651 -1.037 1.393) 2.396 5.846 ( 1.232 1.803 2.724) 3.491 5.906 ( 1.048 -3.257 0.416) 3.446 5.944 ( -2.856 3.629 0.439) 4.639 6.024 ( -3.180 -3.607 1.525) 5.044 6.131 ( -1.090 0.734 0.246) 1.337 6.150 ( -1.471 -1.128 2.552) 3.154 6.305 ( 2.694 2.197 -2.042) 4.031 6.351 ( 2.577 -0.389 -1.043) 2.807 6.424 ( -1.114 0.790 1.076) 1.739 6.428 ( -3.018 0.712 0.696) 3.178 6.582 ( 0.599 -0.055 2.292) 2.369 6.610 ( 1.480 -3.285 3.569) 5.071 6.722 ( -0.936 3.809 1.521) 4.207 6.760 ( -0.862 0.339 2.809) 2.958 6.813 ( 1.806 1.285 -1.389) 2.616 6.850 ( 2.736 -0.702 -0.597) 2.887 6.972 ( 3.092 1.648 1.640) 3.868 7.010 ( 3.824 -1.063 1.584) 4.273 7.141 ( 0.254 3.061 1.375) 3.365 7.199 ( -0.475 -0.649 -1.913) 2.075 7.230 ( -2.800 -2.893 1.407) 4.265 7.250 ( -0.573 -2.902 4.121) 5.072 7.296 ( 4.011 2.941 -0.980) 5.069 7.432 ( 4.211 -5.749 2.567) 7.575 7.502 ( 0.189 8.631 0.113) 8.634 7.577 ( 0.199 0.168 -5.299) 5.305 7.611 ( -4.470 0.417 -2.234) 5.014 7.765 ( -1.816 -9.013 0.136) 9.195 7.852 ( -3.931 6.387 -0.707) 7.533 7.930 ( -1.194 -1.968 1.233) 2.612 8.068 ( 5.607 4.345 -1.988) 7.367 8.120 ( 0.196 0.980 -2.460) 2.655 8.166 ( 3.180 4.964 -3.566) 6.890 8.189 ( 0.853 1.938 -1.382) 2.528 8.276 ( 3.156 -3.731 -0.490) 4.911 8.326 ( 1.219 -4.101 -3.187) 5.335 8.404 ( 1.406 -2.166 -2.306) 3.462 8.455 ( -0.937 -7.720 2.583) 8.194 8.620 ( 2.529 1.810 -0.583) 3.165 8.675 ( 3.995 -2.882 -0.740) 4.982 8.842 ( 3.492 -1.783 0.065) 3.922 8.860 ( 0.180 -4.022 -1.779) 4.402 9.072 ( -4.577 4.387 2.726) 6.901 9.128 ( -2.616 0.085 1.379) 2.958 9.255 ( -5.562 0.257 2.005) 5.918 9.281 ( -4.746 -1.317 0.006) 4.925 9.425 ( 0.468 3.908 -0.492) 3.966 9.546 ( -1.140 -5.953 -3.787) 7.147 9.675 ( -2.637 1.810 0.621) 3.258 9.724 ( -1.000 -2.179 0.168) 2.403 9.780 ( -1.052 8.274 0.934) 8.393 9.838 ( 4.209 1.201 1.331) 4.575 9.857 ( 1.801 -0.796 2.762) 3.392 9.980 ( 0.381 -5.491 0.452) 5.523 10.048 ( 1.774 1.229 -1.672) 2.730 10.091 ( 0.190 1.926 -1.950) 2.747 10.174 ( 2.506 -0.903 -0.459) 2.703 10.206 ( -0.608 -2.841 -2.273) 3.689 10.431 ( 5.192 4.482 0.885) 6.916 10.495 ( 5.124 -1.022 1.116) 5.343 10.670 ( -4.743 0.844 4.239) 6.417 10.694 ( -4.584 -0.557 4.543) 6.478 10.874 ( 1.772 1.282 0.425) 2.228 10.892 ( 1.732 0.710 -1.487) 2.390 10.972 ( -6.111 2.834 2.367) 7.140 11.014 ( -6.893 -1.188 1.800) 7.223 11.170 ( -4.152 2.561 -0.444) 4.899 11.213 ( -3.649 -1.431 1.442) 4.176 11.331 ( 1.025 3.860 0.207) 3.999 11.388 ( -0.889 1.120 0.761) 1.620 11.424 ( 0.092 -1.027 -2.463) 2.670 11.444 ( -0.465 -0.773 -2.884) 3.022 11.728 ( 7.300 4.190 -1.202) 8.502 11.799 ( 9.135 -1.911 0.722) 9.361 11.972 ( 2.690 1.648 -0.333) 3.172 12.048 ( 5.577 -4.718 -0.316) 7.312 12.275 ( -0.078 3.752 2.500) 4.509 12.312 ( -0.146 1.206 0.011) 1.215 12.362 ( -0.368 -0.516 -0.919) 1.117 12.389 ( -0.968 -3.444 -0.313) 3.592 12.537 ( -3.163 2.226 -0.424) 3.891 12.593 ( -4.518 -2.853 0.397) 5.358 12.715 ( -2.160 5.227 -1.054) 5.753 12.858 ( 1.418 -7.406 -1.126) 7.624 12.896 ( -5.234 2.259 -1.142) 5.814 12.958 ( -4.141 -3.282 -2.779) 5.970 13.273 ( -1.577 2.321 2.212) 3.573 13.311 ( -0.647 -1.018 1.357) 1.816 14.561 ( 1.567 4.520 -1.116) 4.912 14.641 ( 4.585 -2.857 -0.516) 5.427 15.415 ( -4.709 0.839 0.086) 4.784 15.437 ( -3.859 -1.354 0.797) 4.167 15.768 ( -3.923 3.993 0.918) 5.672 15.835 ( -7.036 -2.124 -0.029) 7.349 15.952 ( -2.035 2.951 -0.184) 3.589 15.994 ( -3.460 -1.063 1.450) 3.899 16.665 ( -7.545 1.805 -0.792) 7.799 16.739 ( -6.900 -5.205 0.978) 8.698 16.880 ( -1.213 0.832 -0.335) 1.508 16.905 ( -2.698 -2.121 1.092) 3.601 17.028 ( 3.076 1.436 0.646) 3.456 17.056 ( 1.731 -0.913 1.383) 2.396 17.311 ( 9.504 9.424 -1.046) 13.425 17.536 ( 12.957 -11.322 -2.268) 17.356 18.091 ( -1.249 0.868 1.642) 2.238 18.104 ( -1.581 -0.442 0.316) 1.672 18.166 ( 0.317 1.050 0.436) 1.180 18.174 ( 1.370 0.156 -0.269) 1.405 18.331 ( -0.983 2.550 0.509) 2.780 18.374 ( -0.692 -0.871 1.277) 1.694 18.474 ( -0.522 0.469 -0.881) 1.126 18.488 ( 0.373 -0.260 -4.554) 4.576 18.585 ( -2.910 3.964 1.949) 5.290 18.682 ( 0.799 -4.097 1.546) 4.451 18.797 ( -1.257 0.355 3.172) 3.431 18.870 ( -1.009 -4.677 -1.086) 4.907 19.130 ( -4.267 0.775 2.306) 4.912 19.177 ( -2.959 -3.585 3.433) 5.779 19.751 ( 10.811 9.873 -5.157) 15.523 19.906 ( 16.206 -3.864 -5.199) 17.453 ======================= Grid point 55 (33/54) ======================= q-point: (-0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( -3.147 1.805 1.304) 3.855 0.757 ( -0.789 3.147 1.959) 3.790 0.782 ( -2.035 -0.960 -0.355) 2.278 0.899 ( -0.572 2.062 2.753) 3.487 0.940 ( -6.463 1.339 2.603) 7.095 1.078 ( 1.912 -6.660 -0.113) 6.930 1.178 ( -2.220 1.622 -0.745) 2.849 1.196 ( -1.223 -0.042 -0.189) 1.239 1.226 ( 1.536 -0.088 -0.117) 1.543 1.261 ( -2.414 -1.934 1.674) 3.518 1.360 ( 0.960 -0.169 -0.186) 0.992 1.383 ( 0.106 -1.486 -0.662) 1.630 1.473 ( -0.438 0.765 4.155) 4.248 1.505 ( 2.400 -1.506 1.806) 3.360 1.562 ( 0.559 0.362 -0.119) 0.677 1.582 ( 1.502 -1.576 -0.972) 2.384 1.604 ( 0.893 1.183 1.039) 1.810 1.631 ( 0.962 -1.321 0.734) 1.791 1.667 ( -0.841 6.112 -0.412) 6.183 1.745 ( 2.252 -2.111 -1.380) 3.381 1.815 ( 0.084 6.598 0.524) 6.619 1.937 ( -0.077 -1.130 -4.762) 4.895 1.995 ( -2.208 1.155 -0.954) 2.669 2.029 ( -2.075 -1.977 1.552) 3.259 2.070 ( -2.607 0.623 -0.600) 2.747 2.115 ( -3.665 -2.707 -5.686) 7.286 2.202 ( 3.080 0.201 -1.705) 3.526 2.232 ( 1.763 -1.915 -1.109) 2.829 2.291 ( 4.848 0.175 -2.659) 5.532 2.332 ( 2.740 -1.494 -0.225) 3.129 2.406 ( 0.861 4.125 3.066) 5.211 2.473 ( 2.343 -1.938 2.849) 4.167 2.517 ( -0.116 0.797 -1.232) 1.472 2.545 ( -0.070 0.294 -3.181) 3.196 2.604 ( -4.132 3.482 3.463) 6.418 2.662 ( -4.800 -0.626 2.900) 5.643 2.694 ( -0.423 -0.652 -2.361) 2.486 2.746 ( 0.832 -4.934 1.344) 5.181 2.857 ( -0.354 3.530 -1.262) 3.766 2.921 ( 0.434 -0.860 3.170) 3.313 2.952 ( -5.090 -1.398 -1.215) 5.416 2.956 ( -4.292 -0.449 1.926) 4.726 3.048 ( -1.334 0.219 -0.372) 1.402 3.082 ( -1.935 -3.321 0.268) 3.853 3.175 ( 0.583 0.031 -0.388) 0.701 3.199 ( -1.318 -2.379 -1.488) 3.100 3.339 ( 2.282 5.437 -1.055) 5.990 3.446 ( 5.937 -4.094 -0.259) 7.217 3.507 ( -0.481 3.100 -0.721) 3.219 3.592 ( -3.293 -2.662 -2.380) 4.857 3.633 ( 4.339 -0.161 1.363) 4.551 3.657 ( 0.408 -1.806 2.038) 2.754 3.759 ( 2.176 3.196 0.520) 3.902 3.797 ( -0.517 0.988 0.068) 1.117 3.803 ( -0.181 0.913 0.915) 1.305 3.849 ( 0.480 -2.825 -1.178) 3.098 3.915 ( -2.544 -1.506 5.158) 5.945 3.922 ( -0.908 -2.677 3.869) 4.792 4.130 ( 2.198 1.468 2.313) 3.513 4.154 ( 1.333 -0.668 0.159) 1.499 4.206 ( 0.616 1.260 -3.965) 4.206 4.241 ( -0.414 -1.759 -3.766) 4.177 4.330 ( -0.724 4.683 -0.747) 4.797 4.418 ( -2.089 -3.066 -0.176) 3.714 4.515 ( 1.441 -0.118 0.473) 1.522 4.528 ( 1.751 -1.301 1.595) 2.703 4.565 ( 2.765 -0.346 -0.390) 2.813 4.591 ( 0.689 -2.804 -2.491) 3.813 4.722 ( -1.448 0.758 -0.028) 1.635 4.747 ( -1.217 -0.403 -2.323) 2.653 4.837 ( -2.845 1.677 0.272) 3.314 4.910 ( -0.952 -3.952 2.303) 4.672 5.055 ( 1.099 1.156 1.768) 2.381 5.073 ( 0.596 -0.662 1.491) 1.737 5.169 ( 0.724 1.885 2.993) 3.611 5.181 ( 2.742 1.357 0.588) 3.115 5.296 ( 1.527 2.879 -2.061) 3.856 5.351 ( 1.782 -2.824 -3.427) 4.785 5.425 ( 0.057 3.231 -0.960) 3.371 5.480 ( 1.184 -1.527 -1.323) 2.342 5.587 ( -1.982 2.304 2.826) 4.150 5.615 ( -1.232 -0.297 0.589) 1.397 5.713 ( 5.727 -0.151 0.731) 5.775 5.751 ( 2.593 -3.179 2.131) 4.623 5.885 ( 0.222 0.502 -0.430) 0.697 5.913 ( -0.036 -0.874 -1.457) 1.700 5.921 ( -1.832 1.920 1.497) 3.047 5.996 ( -4.550 -3.284 1.923) 5.932 6.111 ( -0.135 1.391 -0.781) 1.601 6.160 ( -0.747 -2.866 1.448) 3.297 6.319 ( 1.952 2.410 -2.240) 3.826 6.366 ( -3.523 3.094 1.357) 4.881 6.381 ( 1.971 -3.317 -3.268) 5.056 6.418 ( 0.395 -2.137 -0.294) 2.193 6.610 ( 1.108 2.800 -0.436) 3.042 6.667 ( 0.351 -2.751 1.943) 3.386 6.726 ( 0.875 4.795 -0.425) 4.893 6.787 ( -1.866 -0.706 1.948) 2.789 6.831 ( 4.460 0.811 -2.328) 5.096 6.874 ( 3.277 -1.497 -2.523) 4.399 7.006 ( -1.802 2.127 -0.858) 2.916 7.061 ( 1.686 -2.537 -1.210) 3.277 7.120 ( 0.992 1.445 -3.025) 3.496 7.156 ( 0.162 1.927 -0.796) 2.091 7.198 ( -3.512 -2.422 1.657) 4.576 7.259 ( 0.355 -4.083 -2.456) 4.778 7.360 ( 2.551 5.072 -1.900) 5.987 7.428 ( 0.007 -1.357 -6.608) 6.746 7.511 ( -1.142 9.464 0.868) 9.572 7.580 ( 0.140 3.604 6.700) 7.609 7.669 ( -1.839 -5.374 11.842) 13.134 7.750 ( -1.925 -0.847 -1.818) 2.780 7.775 ( 0.939 -0.324 0.785) 1.266 7.914 ( -1.621 -4.738 0.834) 5.076 8.100 ( 0.739 1.871 -1.318) 2.406 8.111 ( 3.914 4.415 -2.729) 6.501 8.184 ( 2.055 1.095 0.908) 2.499 8.201 ( 4.596 3.257 -3.013) 6.388 8.308 ( 1.011 -4.183 -1.100) 4.441 8.332 ( 3.284 -4.801 -0.381) 5.829 8.381 ( -1.646 0.051 1.465) 2.204 8.486 ( 0.580 -7.715 1.845) 7.954 8.616 ( 0.714 0.290 -2.554) 2.668 8.682 ( -0.884 -4.997 -1.057) 5.184 8.871 ( 3.808 1.963 -0.641) 4.332 8.918 ( 4.564 -1.901 -0.079) 4.944 9.063 ( -3.477 5.837 2.249) 7.156 9.126 ( -2.482 -0.013 2.599) 3.594 9.172 ( -3.266 1.557 0.782) 3.702 9.249 ( -2.194 -5.331 0.204) 5.769 9.439 ( 0.431 1.157 0.650) 1.395 9.481 ( -1.216 -2.545 -2.166) 3.556 9.662 ( -0.711 1.558 0.728) 1.861 9.692 ( -1.579 -0.564 -0.294) 1.702 9.777 ( -2.743 5.676 2.732) 6.870 9.871 ( -0.234 0.407 -0.216) 0.517 9.901 ( 1.807 -1.224 0.146) 2.187 9.988 ( -0.504 -6.784 2.212) 7.154 10.071 ( 0.833 3.005 0.465) 3.153 10.123 ( 1.010 1.788 -3.377) 3.952 10.150 ( 5.434 -0.458 0.247) 5.458 10.213 ( 3.473 -3.012 -1.663) 4.889 10.511 ( 2.496 5.285 -1.252) 5.977 10.546 ( -0.590 1.873 -0.641) 2.065 10.640 ( -4.604 1.043 0.371) 4.735 10.663 ( -0.490 -1.144 -0.036) 1.245 10.843 ( -3.365 4.090 -1.825) 5.602 10.911 ( -4.318 -2.172 -1.157) 4.971 10.954 ( 1.842 1.030 2.347) 3.156 10.977 ( 2.464 -0.993 0.099) 2.659 11.080 ( -4.706 3.319 -2.427) 6.249 11.158 ( -4.739 -3.811 -0.519) 6.103 11.329 ( 0.271 4.136 0.018) 4.144 11.397 ( -1.172 0.397 3.319) 3.542 11.407 ( 1.211 -1.104 -0.244) 1.657 11.437 ( -0.737 -1.383 2.139) 2.652 11.812 ( 5.002 6.383 -0.434) 8.121 11.957 ( 7.092 -6.023 1.739) 9.466 12.000 ( 1.705 4.526 -1.195) 4.982 12.123 ( 5.668 -4.738 -1.529) 7.544 12.273 ( -0.569 2.334 -2.366) 3.372 12.299 ( -0.963 0.988 0.361) 1.426 12.336 ( -0.967 -1.389 -0.773) 1.860 12.351 ( -0.826 -1.461 -2.298) 2.845 12.503 ( -2.022 2.247 1.211) 3.256 12.554 ( -2.603 -1.915 2.190) 3.904 12.664 ( -5.317 4.366 1.671) 7.080 12.774 ( -5.707 -3.875 -0.758) 6.940 12.878 ( 0.753 -1.120 -1.816) 2.263 12.912 ( 1.471 -3.934 1.543) 4.475 13.263 ( -2.508 2.918 -0.111) 3.850 13.303 ( -1.194 -0.192 -0.162) 1.220 14.584 ( 2.199 5.401 0.792) 5.885 14.693 ( 3.449 -4.807 0.292) 5.924 15.328 ( -5.490 1.677 -0.409) 5.755 15.366 ( -7.208 -2.112 0.857) 7.560 15.745 ( 0.832 0.651 -0.725) 1.281 15.758 ( -1.531 -0.444 -1.713) 2.340 15.911 ( -3.336 1.640 0.317) 3.731 15.932 ( -4.865 -0.545 0.003) 4.895 16.569 ( -4.587 1.981 0.685) 5.043 16.641 ( -6.915 -5.024 1.217) 8.634 16.853 ( -1.191 0.798 -0.718) 1.604 16.873 ( -2.002 -0.979 -0.096) 2.230 17.086 ( 3.524 2.097 -0.545) 4.137 17.120 ( 3.293 -1.112 0.688) 3.543 17.438 ( 6.077 11.199 1.284) 12.807 17.673 ( 8.516 -10.516 -0.917) 13.563 18.062 ( -1.641 1.154 -0.237) 2.020 18.096 ( -1.974 -1.885 0.353) 2.752 18.186 ( 2.839 1.892 -0.499) 3.448 18.191 ( 2.285 1.319 -1.809) 3.199 18.326 ( -2.577 1.552 1.685) 3.448 18.366 ( -2.314 -1.949 0.137) 3.028 18.430 ( -0.207 1.798 -1.922) 2.640 18.468 ( -0.251 -1.719 0.146) 1.743 18.565 ( -1.898 6.288 0.816) 6.619 18.704 ( 0.124 -6.132 -0.066) 6.134 18.803 ( -1.095 -1.068 -1.975) 2.498 18.825 ( -0.179 -2.926 -0.638) 3.000 19.100 ( -2.157 2.557 -0.433) 3.373 19.175 ( -1.720 -4.581 -0.280) 4.901 19.879 ( 7.983 12.726 2.840) 15.289 20.113 ( 13.778 -8.600 0.524) 16.250 ======================= Grid point 70 (34/54) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 1.213 0.000 13.393) 13.448 0.703 ( 4.885 0.000 14.020) 14.847 0.860 ( -4.363 0.000 1.874) 4.748 0.925 ( -2.143 0.000 -8.413) 8.682 1.081 ( -5.606 0.000 7.997) 9.767 1.196 ( 2.614 0.000 -1.431) 2.980 1.242 ( -1.933 0.000 0.193) 1.943 1.263 ( 3.912 0.000 1.408) 4.158 1.273 ( -0.292 0.000 -2.316) 2.334 1.351 ( 2.771 0.000 -5.022) 5.736 1.408 ( 1.116 0.000 3.711) 3.876 1.456 ( -4.788 0.000 1.491) 5.015 1.472 ( -5.272 0.000 4.703) 7.065 1.485 ( -0.004 0.000 -1.962) 1.962 1.520 ( -2.643 0.000 2.355) 3.540 1.582 ( 0.362 0.000 1.179) 1.233 1.623 ( 1.155 0.000 -1.949) 2.266 1.648 ( 6.129 0.000 -3.883) 7.256 1.727 ( 0.825 0.000 0.893) 1.216 1.729 ( -3.153 0.000 1.402) 3.450 1.807 ( -0.278 0.000 0.025) 0.279 1.867 ( 4.082 0.000 -3.764) 5.553 1.966 ( 3.468 0.000 0.825) 3.564 1.994 ( 0.071 0.000 -1.509) 1.511 2.031 ( -4.135 0.000 -2.570) 4.868 2.034 ( -1.296 0.000 -1.374) 1.889 2.131 ( 9.374 0.000 2.665) 9.745 2.179 ( -6.196 0.000 -2.269) 6.598 2.313 ( -0.464 0.000 2.506) 2.549 2.328 ( 1.408 0.000 -0.644) 1.548 2.381 ( 10.058 0.000 0.797) 10.090 2.385 ( -4.428 0.000 5.191) 6.823 2.495 ( -6.047 0.000 -3.364) 6.920 2.511 ( -2.373 0.000 -2.380) 3.360 2.697 ( -3.286 0.000 1.593) 3.652 2.725 ( 3.900 0.000 -2.433) 4.597 2.760 ( 0.116 0.000 2.519) 2.522 2.842 ( 1.672 0.000 -1.251) 2.088 2.860 ( 0.397 0.000 2.679) 2.708 2.876 ( -3.066 0.000 0.683) 3.141 2.898 ( -1.294 0.000 -1.501) 1.982 2.955 ( 4.245 0.000 -3.224) 5.330 3.131 ( -2.468 0.000 -0.980) 2.656 3.163 ( -1.294 0.000 -3.010) 3.276 3.256 ( -2.235 0.000 4.261) 4.812 3.321 ( 4.808 0.000 4.496) 6.583 3.334 ( 4.615 0.000 -2.771) 5.383 3.410 ( -3.533 0.000 -4.418) 5.656 3.568 ( -1.900 0.000 -0.856) 2.084 3.570 ( -1.444 0.000 -0.697) 1.603 3.585 ( -1.703 0.000 -0.030) 1.703 3.596 ( 5.485 0.000 -1.327) 5.643 3.689 ( 0.012 0.000 4.179) 4.179 3.755 ( 1.082 0.000 -1.498) 1.848 3.788 ( 0.767 0.000 -0.197) 0.791 3.797 ( -4.436 0.000 -0.212) 4.441 4.036 ( -0.528 0.000 4.050) 4.084 4.082 ( 0.689 0.000 1.535) 1.683 4.125 ( 2.442 0.000 -2.066) 3.199 4.136 ( -2.732 0.000 -1.496) 3.115 4.213 ( -2.897 0.000 1.418) 3.225 4.251 ( 1.645 0.000 -0.262) 1.666 4.341 ( 5.342 0.000 2.443) 5.874 4.388 ( -0.841 0.000 -0.058) 0.843 4.427 ( -0.373 0.000 -2.701) 2.727 4.494 ( -3.056 0.000 -5.094) 5.940 4.727 ( -0.854 0.000 3.230) 3.341 4.745 ( -0.594 0.000 1.194) 1.334 4.768 ( 2.903 0.000 -0.381) 2.928 4.798 ( 0.771 0.000 -3.815) 3.892 4.868 ( -4.292 0.000 5.346) 6.855 4.961 ( 3.747 0.000 -2.556) 4.536 5.026 ( -4.578 0.000 5.250) 6.966 5.076 ( 0.761 0.000 0.217) 0.791 5.087 ( -0.188 0.000 -1.182) 1.197 5.162 ( 6.766 0.000 -5.369) 8.638 5.349 ( -7.994 0.000 4.315) 9.084 5.379 ( 4.036 0.000 1.963) 4.489 5.466 ( 0.089 0.000 -1.157) 1.160 5.474 ( 2.930 0.000 -0.695) 3.011 5.560 ( 4.633 0.000 1.173) 4.779 5.637 ( -2.906 0.000 -4.908) 5.704 5.701 ( 0.577 0.000 3.234) 3.286 5.757 ( 0.136 0.000 -2.356) 2.360 5.874 ( -2.265 0.000 3.529) 4.193 5.950 ( -1.857 0.000 -1.179) 2.200 5.958 ( 1.753 0.000 2.894) 3.383 6.014 ( -6.245 0.000 1.573) 6.440 6.110 ( 3.490 0.000 -1.431) 3.772 6.128 ( -0.680 0.000 -5.240) 5.284 6.281 ( 1.071 0.000 3.445) 3.608 6.342 ( -0.919 0.000 -2.554) 2.715 6.493 ( -3.708 0.000 7.463) 8.334 6.578 ( 0.080 0.000 0.317) 0.327 6.594 ( 2.116 0.000 -0.239) 2.129 6.626 ( 2.832 0.000 -3.098) 4.198 6.694 ( -7.767 0.000 0.263) 7.771 6.700 ( 0.633 0.000 -1.046) 1.223 6.799 ( 10.942 0.000 -1.391) 11.030 6.804 ( -9.038 0.000 -1.500) 9.162 6.926 ( -3.639 0.000 1.451) 3.918 6.937 ( -0.677 0.000 -1.161) 1.344 7.056 ( 1.074 0.000 -2.314) 2.551 7.071 ( 3.250 0.000 -1.406) 3.541 7.172 ( -0.974 0.000 2.003) 2.227 7.235 ( -0.836 0.000 -2.956) 3.072 7.283 ( 2.352 0.000 1.594) 2.841 7.328 ( -2.495 0.000 -2.639) 3.632 7.472 ( -3.101 0.000 1.462) 3.428 7.472 ( 1.618 0.000 2.724) 3.169 7.569 ( 8.614 0.000 -1.171) 8.693 7.597 ( -1.855 0.000 -2.431) 3.057 7.930 ( -1.440 0.000 0.297) 1.470 7.935 ( 3.531 0.000 -0.583) 3.579 8.078 ( 2.308 0.000 1.133) 2.571 8.099 ( -3.785 0.000 -0.658) 3.841 8.200 ( 4.633 0.000 0.619) 4.674 8.248 ( -6.488 0.000 -3.440) 7.344 8.399 ( 0.363 0.000 1.006) 1.070 8.403 ( 0.731 0.000 0.928) 1.182 8.497 ( -5.318 0.000 2.786) 6.004 8.570 ( 6.006 0.000 -4.348) 7.414 8.782 ( 2.672 0.000 5.117) 5.772 8.836 ( -5.606 0.000 -0.979) 5.691 8.860 ( -1.347 0.000 1.787) 2.238 8.882 ( 3.169 0.000 -0.922) 3.301 9.135 ( 2.107 0.000 4.530) 4.996 9.183 ( -2.179 0.000 -0.516) 2.239 9.334 ( -1.318 0.000 5.059) 5.228 9.400 ( -0.598 0.000 0.439) 0.742 9.460 ( -2.231 0.000 -0.204) 2.241 9.464 ( 0.876 0.000 -0.140) 0.887 9.564 ( 2.704 0.000 -0.428) 2.738 9.590 ( 0.046 0.000 -2.615) 2.615 9.757 ( -1.108 0.000 -0.113) 1.114 9.791 ( 0.780 0.000 -3.736) 3.816 9.926 ( 2.662 0.000 -1.751) 3.186 9.946 ( -4.342 0.000 -4.170) 6.020 10.013 ( -1.719 0.000 4.358) 4.685 10.101 ( 5.772 0.000 -4.141) 7.103 10.183 ( -5.226 0.000 0.989) 5.319 10.219 ( 2.989 0.000 -2.036) 3.616 10.430 ( 5.306 0.000 4.095) 6.702 10.475 ( 2.793 0.000 1.720) 3.280 10.491 ( 0.946 0.000 -2.022) 2.232 10.534 ( -6.758 0.000 -3.719) 7.714 10.712 ( 0.583 0.000 2.210) 2.285 10.764 ( -2.115 0.000 -3.787) 4.338 10.933 ( -6.565 0.000 0.358) 6.574 10.944 ( 4.710 0.000 -1.094) 4.836 11.142 ( -0.806 0.000 1.049) 1.322 11.151 ( -1.431 0.000 0.462) 1.504 11.268 ( 0.976 0.000 2.279) 2.479 11.311 ( -0.723 0.000 -0.989) 1.225 11.475 ( 2.455 0.000 1.872) 3.088 11.480 ( -2.430 0.000 1.214) 2.716 11.759 ( 2.788 0.000 4.178) 5.023 11.823 ( -3.859 0.000 -2.171) 4.427 12.076 ( -0.715 0.000 -3.089) 3.171 12.085 ( 2.760 0.000 -4.364) 5.163 12.269 ( -3.813 0.000 1.090) 3.966 12.293 ( 4.382 0.000 -1.110) 4.521 12.399 ( 10.256 0.000 0.337) 10.261 12.405 ( -6.769 0.000 -0.115) 6.770 12.523 ( 0.932 0.000 1.387) 1.671 12.537 ( -1.271 0.000 -0.034) 1.271 12.737 ( -10.552 0.000 4.184) 11.351 12.812 ( 5.659 0.000 -3.555) 6.684 12.972 ( 3.451 0.000 3.834) 5.158 13.048 ( -1.360 0.000 -3.375) 3.639 13.199 ( 1.382 0.000 2.957) 3.264 13.231 ( 0.316 0.000 -0.213) 0.381 14.581 ( -0.556 0.000 6.126) 6.151 14.704 ( -0.486 0.000 -6.003) 6.023 15.238 ( 5.143 0.000 2.077) 5.546 15.282 ( -6.370 0.000 -2.266) 6.761 15.563 ( -1.587 0.000 2.063) 2.603 15.618 ( 0.914 0.000 -3.381) 3.502 15.885 ( 2.737 0.000 0.984) 2.908 15.898 ( -1.830 0.000 -0.398) 1.873 16.533 ( 1.155 0.000 2.060) 2.362 16.584 ( -0.348 0.000 -2.811) 2.833 16.851 ( -2.822 0.000 0.805) 2.934 16.863 ( 2.673 0.000 -0.239) 2.684 17.122 ( -1.120 0.000 2.555) 2.790 17.177 ( -0.356 0.000 -2.999) 3.020 17.413 ( -5.362 0.000 13.149) 14.201 17.688 ( 7.407 0.000 -13.640) 15.522 17.979 ( 2.672 0.000 -1.688) 3.161 17.998 ( -2.800 0.000 -3.504) 4.485 18.195 ( -0.280 0.000 0.549) 0.616 18.201 ( -2.586 0.000 0.018) 2.586 18.379 ( -1.111 0.000 1.514) 1.878 18.394 ( 0.868 0.000 -0.267) 0.909 18.497 ( -0.447 0.000 8.202) 8.214 18.548 ( 0.967 0.000 7.161) 7.226 18.656 ( -2.660 0.000 -5.112) 5.763 18.690 ( 0.346 0.000 -3.760) 3.776 18.899 ( -1.109 0.000 0.202) 1.127 18.915 ( 1.869 0.000 0.319) 1.896 18.949 ( 3.734 0.000 -0.037) 3.734 19.013 ( -1.369 0.000 -6.285) 6.433 20.105 ( 0.284 0.000 11.588) 11.591 20.293 ( 0.897 0.000 -7.346) 7.401 ======================= Grid point 71 (35/54) ======================= q-point: ( 0.14 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 0.343 0.000 -12.209) 12.214 0.765 ( 0.215 0.000 -5.759) 5.763 0.913 ( 5.005 0.000 6.914) 8.535 0.922 ( 3.247 0.000 5.746) 6.600 1.106 ( -5.470 0.000 5.429) 7.706 1.199 ( 1.229 0.000 -2.623) 2.897 1.222 ( -2.009 0.000 -2.533) 3.233 1.225 ( -2.244 0.000 1.989) 2.999 1.311 ( 4.504 0.000 -4.588) 6.429 1.343 ( -0.846 0.000 -0.246) 0.881 1.429 ( -1.627 0.000 0.736) 1.786 1.429 ( 2.947 0.000 -0.097) 2.948 1.472 ( -4.721 0.000 5.610) 7.332 1.504 ( 2.068 0.000 3.243) 3.847 1.555 ( 1.867 0.000 0.705) 1.995 1.593 ( -0.438 0.000 -2.462) 2.500 1.603 ( 0.465 0.000 0.861) 0.979 1.670 ( 3.950 0.000 -4.970) 6.348 1.713 ( -0.669 0.000 1.301) 1.463 1.753 ( 0.372 0.000 0.087) 0.382 1.829 ( 1.389 0.000 0.791) 1.599 1.851 ( 2.257 0.000 -2.131) 3.104 1.951 ( 2.674 0.000 -4.672) 5.383 1.994 ( -0.166 0.000 -0.474) 0.503 1.994 ( -8.117 0.000 -4.727) 9.393 2.039 ( 0.566 0.000 3.261) 3.310 2.067 ( 2.458 0.000 4.532) 5.156 2.241 ( 0.674 0.000 -1.375) 1.532 2.277 ( -4.328 0.000 -3.895) 5.822 2.306 ( -0.270 0.000 1.830) 1.850 2.321 ( -0.497 0.000 0.322) 0.592 2.422 ( -2.052 0.000 -4.292) 4.757 2.522 ( -0.412 0.000 1.651) 1.701 2.590 ( 7.298 0.000 5.455) 9.112 2.663 ( -1.020 0.000 4.361) 4.479 2.755 ( -1.649 0.000 -4.712) 4.992 2.800 ( 6.889 0.000 -1.234) 6.998 2.831 ( 0.408 0.000 1.534) 1.587 2.870 ( -0.849 0.000 -0.172) 0.867 2.900 ( -0.085 0.000 -0.407) 0.416 2.936 ( 5.487 0.000 1.079) 5.592 2.964 ( 7.331 0.000 -2.138) 7.637 3.109 ( -4.159 0.000 1.211) 4.331 3.148 ( 0.090 0.000 4.505) 4.506 3.265 ( -4.799 0.000 -5.545) 7.334 3.276 ( -0.861 0.000 1.547) 1.770 3.343 ( 3.478 0.000 -5.164) 6.226 3.422 ( 0.486 0.000 3.422) 3.457 3.479 ( -6.585 0.000 0.191) 6.588 3.552 ( 0.087 0.000 2.105) 2.106 3.581 ( -0.034 0.000 -0.700) 0.701 3.642 ( 3.507 0.000 -1.867) 3.973 3.743 ( 2.204 0.000 -2.736) 3.513 3.766 ( 1.192 0.000 0.146) 1.201 3.781 ( 1.833 0.000 4.571) 4.925 3.877 ( 6.696 0.000 1.710) 6.911 4.043 ( -3.457 0.000 1.552) 3.789 4.050 ( -3.021 0.000 -2.688) 4.044 4.096 ( -1.414 0.000 -0.846) 1.648 4.142 ( 0.591 0.000 0.815) 1.007 4.191 ( -3.524 0.000 1.863) 3.987 4.220 ( -4.553 0.000 -0.484) 4.579 4.328 ( 1.843 0.000 -3.812) 4.234 4.378 ( -2.788 0.000 -1.720) 3.276 4.473 ( 5.917 0.000 1.832) 6.194 4.510 ( 2.285 0.000 4.148) 4.736 4.653 ( -7.866 0.000 1.502) 8.008 4.690 ( -5.167 0.000 -2.589) 5.779 4.788 ( -2.526 0.000 -1.285) 2.834 4.815 ( 4.327 0.000 -3.482) 5.554 4.872 ( -1.824 0.000 7.750) 7.962 4.937 ( 0.162 0.000 -5.828) 5.831 5.022 ( -5.507 0.000 6.425) 8.462 5.087 ( -0.602 0.000 0.504) 0.785 5.092 ( 3.059 0.000 0.575) 3.112 5.145 ( 3.125 0.000 -9.396) 9.902 5.326 ( -1.667 0.000 3.430) 3.814 5.428 ( 0.246 0.000 0.196) 0.314 5.433 ( -0.803 0.000 -2.898) 3.007 5.490 ( 1.369 0.000 -1.031) 1.714 5.513 ( -3.222 0.000 -2.452) 4.049 5.641 ( -0.129 0.000 2.430) 2.434 5.720 ( 0.917 0.000 -3.469) 3.588 5.747 ( 0.496 0.000 1.926) 1.989 5.903 ( -2.556 0.000 3.612) 4.425 5.932 ( 1.719 0.000 -1.179) 2.084 5.955 ( -3.666 0.000 2.209) 4.280 6.017 ( -2.529 0.000 5.601) 6.145 6.021 ( -4.971 0.000 -2.910) 5.760 6.116 ( -0.743 0.000 0.030) 0.743 6.290 ( -0.654 0.000 -3.257) 3.322 6.340 ( 0.408 0.000 3.085) 3.112 6.507 ( -8.437 0.000 3.784) 9.247 6.535 ( -3.117 0.000 2.366) 3.913 6.535 ( -0.820 0.000 -3.384) 3.482 6.623 ( 1.778 0.000 -1.132) 2.108 6.684 ( 1.309 0.000 1.730) 2.169 6.717 ( 1.294 0.000 0.945) 1.602 6.737 ( 1.018 0.000 -1.245) 1.608 6.900 ( -3.645 0.000 2.611) 4.484 6.914 ( -1.089 0.000 0.372) 1.151 6.991 ( 5.146 0.000 4.478) 6.822 7.026 ( -2.900 0.000 -0.271) 2.912 7.078 ( 3.417 0.000 -4.849) 5.932 7.208 ( 2.227 0.000 -0.558) 2.296 7.210 ( 1.167 0.000 4.187) 4.347 7.256 ( -1.892 0.000 -3.015) 3.559 7.330 ( -0.520 0.000 2.342) 2.399 7.419 ( -4.596 0.000 1.329) 4.784 7.492 ( -0.371 0.000 -0.895) 0.969 7.563 ( 4.178 0.000 -4.534) 6.166 7.684 ( 7.986 0.000 -2.099) 8.257 7.863 ( -5.736 0.000 -0.145) 5.738 7.948 ( -0.242 0.000 -1.712) 1.729 8.041 ( -3.296 0.000 0.036) 3.297 8.144 ( -2.522 0.000 -1.794) 3.095 8.158 ( 5.127 0.000 2.319) 5.627 8.302 ( 0.528 0.000 3.115) 3.159 8.413 ( 1.883 0.000 -2.270) 2.949 8.434 ( 5.465 0.000 -1.022) 5.560 8.522 ( 4.092 0.000 3.943) 5.683 8.629 ( 6.836 0.000 -2.848) 7.406 8.749 ( -3.344 0.000 -1.088) 3.517 8.821 ( -4.119 0.000 -1.010) 4.241 8.885 ( 1.220 0.000 -3.760) 3.953 8.897 ( 3.551 0.000 4.404) 5.657 9.084 ( -5.986 0.000 -3.151) 6.765 9.167 ( -3.283 0.000 2.272) 3.993 9.355 ( -2.868 0.000 -1.829) 3.402 9.363 ( -2.527 0.000 3.545) 4.353 9.454 ( -0.002 0.000 0.660) 0.661 9.495 ( 1.948 0.000 1.276) 2.329 9.572 ( 1.472 0.000 -1.668) 2.224 9.614 ( 5.449 0.000 -1.119) 5.563 9.763 ( -0.184 0.000 1.644) 1.655 9.778 ( 1.201 0.000 0.609) 1.347 9.861 ( -3.878 0.000 1.320) 4.096 9.976 ( 1.211 0.000 2.095) 2.420 10.029 ( -0.844 0.000 2.003) 2.174 10.096 ( 2.379 0.000 -7.081) 7.470 10.173 ( 0.274 0.000 2.675) 2.689 10.259 ( 2.919 0.000 1.703) 3.379 10.351 ( -5.663 0.000 -4.841) 7.450 10.443 ( -2.445 0.000 -0.321) 2.466 10.468 ( -0.320 0.000 -0.888) 0.944 10.595 ( 3.049 0.000 1.189) 3.273 10.751 ( 3.319 0.000 -2.231) 3.999 10.824 ( 7.690 0.000 4.368) 8.844 10.849 ( -6.528 0.000 2.820) 7.111 11.006 ( 3.030 0.000 -0.167) 3.035 11.149 ( 0.208 0.000 1.412) 1.427 11.162 ( 0.920 0.000 1.801) 2.022 11.268 ( -1.213 0.000 -3.005) 3.240 11.309 ( 0.270 0.000 1.646) 1.668 11.463 ( 0.741 0.000 0.441) 0.862 11.519 ( 1.733 0.000 -0.730) 1.880 11.705 ( -7.028 0.000 -2.441) 7.440 11.835 ( -0.061 0.000 3.775) 3.775 12.029 ( -2.414 0.000 0.644) 2.499 12.078 ( 0.025 0.000 -0.742) 0.742 12.195 ( -6.542 0.000 0.274) 6.547 12.296 ( -1.454 0.000 -2.170) 2.612 12.302 ( -3.719 0.000 -1.552) 4.030 12.487 ( -0.082 0.000 -2.258) 2.260 12.564 ( 7.019 0.000 0.552) 7.041 12.572 ( 3.341 0.000 0.865) 3.451 12.723 ( -0.080 0.000 5.939) 5.940 12.903 ( 8.123 0.000 0.367) 8.131 12.944 ( -2.989 0.000 -6.210) 6.892 13.046 ( 0.473 0.000 1.989) 2.045 13.210 ( 0.256 0.000 -3.312) 3.322 13.238 ( 1.051 0.000 -0.002) 1.051 14.596 ( -2.760 0.000 -5.330) 6.002 14.650 ( -2.119 0.000 6.735) 7.061 15.225 ( 0.957 0.000 -2.878) 3.033 15.429 ( 13.520 0.000 4.704) 14.315 15.574 ( -1.897 0.000 3.176) 3.699 15.617 ( 4.878 0.000 -2.394) 5.434 15.890 ( 2.322 0.000 -1.773) 2.922 15.959 ( 5.735 0.000 0.161) 5.737 16.567 ( 3.639 0.000 -2.950) 4.685 16.621 ( 6.004 0.000 3.143) 6.777 16.826 ( -1.643 0.000 0.626) 1.758 16.905 ( 3.340 0.000 -0.814) 3.437 17.116 ( -3.434 0.000 -1.214) 3.642 17.116 ( -4.944 0.000 3.431) 6.018 17.469 ( -10.828 0.000 12.579) 16.597 17.548 ( 0.430 0.000 -14.613) 14.619 17.936 ( -1.291 0.000 1.171) 1.743 18.018 ( 2.135 0.000 1.581) 2.657 18.188 ( -0.575 0.000 1.784) 1.874 18.224 ( 1.314 0.000 1.234) 1.802 18.373 ( -1.436 0.000 -0.205) 1.450 18.391 ( -0.766 0.000 0.083) 0.771 18.522 ( -3.403 0.000 -6.396) 7.245 18.549 ( -1.446 0.000 0.395) 1.499 18.687 ( 4.251 0.000 6.081) 7.419 18.688 ( 2.897 0.000 0.307) 2.913 18.878 ( -1.890 0.000 -0.279) 1.911 18.928 ( 0.863 0.000 -1.894) 2.081 18.942 ( 0.391 0.000 -2.215) 2.249 19.018 ( 3.687 0.000 2.097) 4.242 20.113 ( -6.867 0.000 -9.345) 11.597 20.164 ( -9.461 0.000 5.002) 10.702 ======================= Grid point 72 (36/54) ======================= q-point: ( 0.29 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 10.703 0.000 -7.147) 12.870 0.731 ( 7.696 0.000 -6.539) 10.098 1.017 ( 1.795 0.000 2.839) 3.359 1.027 ( 1.124 0.000 0.727) 1.339 1.073 ( -6.587 0.000 3.953) 7.682 1.164 ( 0.700 0.000 -0.324) 0.772 1.219 ( 5.038 0.000 -2.625) 5.681 1.231 ( -1.894 0.000 2.263) 2.951 1.290 ( -4.477 0.000 2.448) 5.103 1.326 ( 3.082 0.000 -3.050) 4.336 1.416 ( -6.104 0.000 1.994) 6.421 1.417 ( -0.613 0.000 0.125) 0.626 1.511 ( 2.146 0.000 -1.725) 2.753 1.512 ( -2.698 0.000 -1.604) 3.139 1.540 ( -0.018 0.000 -0.308) 0.308 1.598 ( 0.353 0.000 -2.482) 2.507 1.617 ( 2.798 0.000 0.100) 2.800 1.653 ( 3.225 0.000 -1.416) 3.522 1.742 ( -1.458 0.000 -0.283) 1.485 1.745 ( 3.302 0.000 -1.269) 3.537 1.850 ( -3.041 0.000 -2.605) 4.004 1.851 ( 1.820 0.000 -0.639) 1.929 1.904 ( 3.000 0.000 0.171) 3.005 1.979 ( 8.313 0.000 -2.791) 8.769 2.016 ( 1.021 0.000 1.638) 1.930 2.088 ( 1.426 0.000 1.044) 1.767 2.111 ( -4.163 0.000 2.650) 4.935 2.198 ( -0.158 0.000 -1.491) 1.499 2.230 ( -0.073 0.000 1.188) 1.190 2.314 ( -1.347 0.000 -0.155) 1.356 2.337 ( 0.579 0.000 0.890) 1.062 2.353 ( 0.688 0.000 -1.878) 2.000 2.492 ( -4.189 0.000 1.235) 4.367 2.607 ( -1.792 0.000 -4.351) 4.706 2.713 ( -1.143 0.000 0.986) 1.509 2.736 ( -0.811 0.000 1.916) 2.081 2.824 ( 2.002 0.000 -1.079) 2.274 2.867 ( 1.052 0.000 -1.169) 1.573 2.875 ( -4.116 0.000 0.550) 4.153 2.883 ( 2.189 0.000 0.944) 2.384 3.013 ( -6.581 0.000 -2.664) 7.100 3.090 ( 9.840 0.000 0.144) 9.841 3.095 ( 6.718 0.000 1.976) 7.002 3.164 ( -0.167 0.000 0.145) 0.221 3.204 ( 0.718 0.000 1.561) 1.718 3.305 ( 4.948 0.000 -0.070) 4.949 3.322 ( 3.813 0.000 -5.600) 6.775 3.370 ( -8.036 0.000 2.632) 8.456 3.437 ( -3.409 0.000 0.350) 3.427 3.573 ( -0.383 0.000 -0.851) 0.933 3.582 ( 1.396 0.000 -1.085) 1.768 3.687 ( 1.428 0.000 1.911) 2.385 3.769 ( -2.679 0.000 1.422) 3.033 3.771 ( 5.707 0.000 -0.085) 5.708 3.872 ( 2.860 0.000 2.438) 3.758 3.938 ( 1.244 0.000 -5.289) 5.433 3.971 ( -6.045 0.000 0.065) 6.046 3.999 ( -5.619 0.000 0.622) 5.654 4.037 ( -1.144 0.000 -3.990) 4.151 4.131 ( -4.574 0.000 -0.946) 4.671 4.141 ( -1.110 0.000 2.119) 2.393 4.162 ( 0.268 0.000 -0.352) 0.443 4.348 ( 3.171 0.000 -0.056) 3.172 4.349 ( -3.273 0.000 4.146) 5.282 4.491 ( -2.877 0.000 1.643) 3.313 4.583 ( -3.465 0.000 -0.553) 3.509 4.605 ( 3.291 0.000 3.990) 5.172 4.634 ( -1.489 0.000 2.685) 3.070 4.729 ( -0.246 0.000 -3.665) 3.674 4.777 ( -1.785 0.000 -5.209) 5.507 4.884 ( 4.670 0.000 -4.088) 6.206 4.933 ( -5.067 0.000 1.157) 5.197 5.049 ( -1.933 0.000 4.703) 5.085 5.062 ( 1.845 0.000 -0.851) 2.032 5.100 ( 1.708 0.000 3.709) 4.084 5.167 ( 6.179 0.000 -1.602) 6.383 5.360 ( -2.294 0.000 -3.348) 4.059 5.368 ( 3.344 0.000 -0.389) 3.367 5.399 ( -4.605 0.000 1.513) 4.847 5.501 ( 1.298 0.000 -1.494) 1.979 5.527 ( 3.697 0.000 2.695) 4.575 5.600 ( -5.805 0.000 1.429) 5.978 5.707 ( 3.609 0.000 -4.541) 5.801 5.712 ( -6.190 0.000 -2.798) 6.793 5.841 ( -4.907 0.000 -0.674) 4.953 5.947 ( -1.516 0.000 2.669) 3.069 5.957 ( 3.174 0.000 -0.835) 3.282 6.019 ( -6.896 0.000 4.925) 8.474 6.037 ( 3.257 0.000 5.085) 6.039 6.106 ( -2.307 0.000 1.905) 2.992 6.227 ( -2.017 0.000 -2.469) 3.188 6.367 ( -3.519 0.000 2.782) 4.486 6.464 ( -1.797 0.000 0.855) 1.990 6.490 ( 0.906 0.000 -3.005) 3.139 6.531 ( 0.109 0.000 1.324) 1.328 6.663 ( 5.312 0.000 -0.749) 5.364 6.717 ( -2.383 0.000 4.260) 4.882 6.750 ( 1.285 0.000 -0.636) 1.434 6.751 ( 0.138 0.000 1.603) 1.609 6.892 ( -3.439 0.000 2.299) 4.137 6.899 ( -3.424 0.000 4.827) 5.918 6.975 ( -3.439 0.000 0.627) 3.496 7.028 ( -3.865 0.000 0.964) 3.983 7.032 ( -0.199 0.000 -4.939) 4.943 7.195 ( -0.145 0.000 -2.008) 2.013 7.290 ( 5.679 0.000 1.989) 6.017 7.296 ( -0.457 0.000 2.069) 2.119 7.358 ( 0.978 0.000 3.986) 4.104 7.432 ( 0.534 0.000 6.320) 6.343 7.476 ( 0.083 0.000 0.532) 0.538 7.584 ( 2.473 0.000 -1.088) 2.702 7.744 ( 5.830 0.000 -3.666) 6.887 7.795 ( -3.432 0.000 1.239) 3.648 7.886 ( -1.905 0.000 -3.773) 4.227 7.995 ( -3.806 0.000 1.007) 3.937 8.098 ( -1.075 0.000 -1.927) 2.207 8.276 ( 6.658 0.000 0.670) 6.691 8.287 ( -0.841 0.000 -2.662) 2.792 8.381 ( 0.587 0.000 -5.060) 5.094 8.455 ( 0.141 0.000 -2.343) 2.347 8.629 ( -1.690 0.000 -6.787) 6.994 8.640 ( -4.636 0.000 -1.657) 4.923 8.699 ( -1.446 0.000 0.478) 1.523 8.776 ( 7.451 0.000 -0.930) 7.509 8.858 ( 4.495 0.000 -3.372) 5.619 8.961 ( -3.995 0.000 -0.242) 4.003 9.022 ( 4.508 0.000 2.979) 5.403 9.170 ( -0.854 0.000 3.911) 4.003 9.317 ( 0.503 0.000 0.178) 0.534 9.386 ( 0.096 0.000 2.352) 2.354 9.462 ( -0.144 0.000 0.831) 0.843 9.541 ( 0.007 0.000 2.749) 2.749 9.589 ( 3.518 0.000 -1.183) 3.712 9.686 ( 3.658 0.000 0.238) 3.666 9.794 ( -1.063 0.000 4.124) 4.259 9.803 ( -4.674 0.000 1.838) 5.023 9.851 ( 3.783 0.000 -0.744) 3.855 9.922 ( -7.322 0.000 -1.544) 7.483 9.989 ( -0.547 0.000 -7.315) 7.335 10.040 ( -0.898 0.000 -0.766) 1.181 10.224 ( 0.966 0.000 0.691) 1.188 10.258 ( -1.365 0.000 1.434) 1.980 10.350 ( 1.533 0.000 4.968) 5.199 10.430 ( 0.351 0.000 1.695) 1.731 10.502 ( 4.480 0.000 0.684) 4.532 10.602 ( -0.085 0.000 -1.722) 1.724 10.764 ( 2.382 0.000 -1.806) 2.989 10.841 ( -2.834 0.000 6.105) 6.730 10.955 ( 2.086 0.000 1.095) 2.356 10.980 ( 0.051 0.000 -2.520) 2.520 11.179 ( -0.906 0.000 -3.666) 3.776 11.220 ( 1.941 0.000 1.181) 2.272 11.240 ( 1.499 0.000 3.197) 3.531 11.347 ( 2.794 0.000 2.524) 3.765 11.480 ( -1.807 0.000 -3.704) 4.122 11.508 ( 0.840 0.000 -3.351) 3.455 11.599 ( -3.738 0.000 3.708) 5.265 11.875 ( -0.827 0.000 3.475) 3.572 12.018 ( -7.506 0.000 -1.152) 7.593 12.022 ( -2.686 0.000 2.913) 3.962 12.121 ( -3.902 0.000 1.681) 4.248 12.229 ( -1.019 0.000 -2.239) 2.460 12.277 ( 0.661 0.000 2.598) 2.681 12.450 ( -0.669 0.000 -1.295) 1.458 12.642 ( 4.553 0.000 -0.517) 4.582 12.654 ( 4.989 0.000 -2.024) 5.384 12.802 ( -3.096 0.000 -5.009) 5.889 12.851 ( 4.428 0.000 5.868) 7.351 13.034 ( 6.410 0.000 -0.496) 6.429 13.039 ( -2.224 0.000 -0.954) 2.420 13.172 ( 1.947 0.000 -2.313) 3.023 13.241 ( 0.601 0.000 -0.912) 1.092 14.505 ( -0.711 0.000 -2.847) 2.934 14.671 ( -5.441 0.000 2.790) 6.114 15.226 ( 2.952 0.000 0.577) 3.008 15.565 ( -4.784 0.000 4.365) 6.476 15.689 ( 9.195 0.000 -3.588) 9.870 15.726 ( 13.066 0.000 3.444) 13.512 15.880 ( 1.075 0.000 -4.593) 4.717 16.043 ( 5.217 0.000 -1.140) 5.340 16.623 ( 6.007 0.000 0.377) 6.019 16.797 ( 5.821 0.000 4.064) 7.100 16.822 ( 0.007 0.000 0.508) 0.508 16.923 ( 0.649 0.000 -1.841) 1.952 17.054 ( -3.271 0.000 0.224) 3.278 17.115 ( -2.263 0.000 8.405) 8.704 17.368 ( 0.419 0.000 -7.033) 7.045 17.444 ( -14.683 0.000 11.967) 18.942 17.982 ( 1.329 0.000 3.653) 3.887 18.075 ( 1.239 0.000 2.076) 2.418 18.225 ( -0.318 0.000 3.280) 3.296 18.244 ( 0.310 0.000 -0.434) 0.534 18.333 ( -1.729 0.000 -1.163) 2.084 18.369 ( -1.644 0.000 -0.922) 1.885 18.421 ( -0.243 0.000 -2.341) 2.353 18.510 ( -0.790 0.000 -3.442) 3.532 18.730 ( 1.100 0.000 0.981) 1.474 18.819 ( 2.364 0.000 4.070) 4.707 18.836 ( -0.952 0.000 -1.868) 2.097 18.890 ( 1.107 0.000 -4.786) 4.913 18.961 ( 3.093 0.000 0.476) 3.130 19.116 ( 1.820 0.000 5.725) 6.007 19.858 ( -6.640 0.000 -11.857) 13.590 19.948 ( -13.701 0.000 -8.096) 15.915 ======================= Grid point 73 (37/54) ======================= q-point: ( 0.43 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 9.584 0.000 -2.635) 9.940 0.817 ( 10.984 0.000 0.473) 10.994 0.971 ( -3.996 0.000 -2.460) 4.692 0.987 ( -8.453 0.000 2.142) 8.720 1.100 ( -0.677 0.000 4.945) 4.992 1.208 ( 2.928 0.000 0.473) 2.966 1.215 ( -2.225 0.000 1.736) 2.822 1.258 ( 4.210 0.000 -3.858) 5.710 1.298 ( -0.926 0.000 -2.686) 2.841 1.299 ( -1.387 0.000 3.121) 3.415 1.343 ( -4.294 0.000 1.225) 4.465 1.422 ( 0.072 0.000 0.904) 0.907 1.440 ( -1.321 0.000 -2.298) 2.650 1.484 ( -0.284 0.000 -2.178) 2.196 1.568 ( -3.531 0.000 0.849) 3.632 1.581 ( 1.501 0.000 2.337) 2.778 1.633 ( 0.827 0.000 -1.921) 2.091 1.698 ( -1.024 0.000 -2.119) 2.353 1.736 ( 8.725 0.000 -1.068) 8.790 1.755 ( 3.110 0.000 -3.162) 4.435 1.805 ( -1.073 0.000 -1.009) 1.473 1.852 ( -1.458 0.000 -1.849) 2.355 1.929 ( 2.742 0.000 -0.101) 2.744 2.030 ( -2.861 0.000 0.917) 3.004 2.071 ( -4.307 0.000 1.479) 4.554 2.102 ( 6.687 0.000 -3.300) 7.457 2.121 ( 3.210 0.000 4.236) 5.315 2.183 ( 2.115 0.000 -1.361) 2.515 2.259 ( -3.594 0.000 -1.958) 4.093 2.261 ( -2.699 0.000 4.659) 5.384 2.351 ( 0.852 0.000 0.118) 0.860 2.407 ( 5.610 0.000 1.105) 5.718 2.458 ( -3.173 0.000 1.741) 3.619 2.531 ( 0.299 0.000 -4.835) 4.845 2.665 ( -2.997 0.000 -1.648) 3.420 2.725 ( -8.017 0.000 -5.084) 9.493 2.774 ( 0.505 0.000 3.214) 3.254 2.810 ( -1.051 0.000 -0.645) 1.233 2.852 ( 0.024 0.000 0.404) 0.405 2.900 ( -0.437 0.000 0.046) 0.440 2.989 ( 6.175 0.000 -1.153) 6.282 3.175 ( -1.116 0.000 -1.020) 1.511 3.175 ( 5.295 0.000 -2.111) 5.701 3.200 ( -0.623 0.000 0.778) 0.997 3.245 ( 2.911 0.000 2.481) 3.825 3.312 ( 3.215 0.000 -2.395) 4.009 3.317 ( -2.110 0.000 -0.673) 2.215 3.361 ( -4.402 0.000 1.858) 4.779 3.421 ( 6.204 0.000 0.371) 6.215 3.537 ( -0.955 0.000 -2.656) 2.822 3.568 ( 1.423 0.000 -2.802) 3.143 3.701 ( -7.061 0.000 3.825) 8.031 3.744 ( -5.512 0.000 4.888) 7.367 3.790 ( -3.085 0.000 -6.081) 6.819 3.858 ( 1.791 0.000 -2.391) 2.988 3.895 ( -1.462 0.000 -2.346) 2.765 3.905 ( 2.229 0.000 0.556) 2.297 3.931 ( 0.808 0.000 -0.785) 1.126 3.987 ( -1.059 0.000 -1.023) 1.473 4.054 ( -1.127 0.000 -3.458) 3.637 4.210 ( 4.316 0.000 2.731) 5.107 4.229 ( 5.162 0.000 4.384) 6.773 4.374 ( -2.708 0.000 4.134) 4.942 4.414 ( 3.996 0.000 1.367) 4.224 4.505 ( -7.147 0.000 1.034) 7.222 4.529 ( -2.714 0.000 -4.431) 5.196 4.572 ( -1.559 0.000 3.160) 3.524 4.657 ( -1.005 0.000 -0.529) 1.136 4.683 ( -2.718 0.000 0.851) 2.848 4.727 ( 2.705 0.000 -2.088) 3.417 4.895 ( -2.109 0.000 3.742) 4.295 4.952 ( 8.716 0.000 -1.408) 8.829 5.062 ( -3.190 0.000 2.220) 3.886 5.081 ( 0.443 0.000 1.556) 1.618 5.185 ( 2.791 0.000 -6.192) 6.792 5.261 ( 1.155 0.000 -3.755) 3.929 5.272 ( 3.569 0.000 4.281) 5.574 5.371 ( -3.396 0.000 3.604) 4.953 5.425 ( 4.273 0.000 -0.066) 4.273 5.462 ( -1.619 0.000 -1.919) 2.510 5.542 ( -4.821 0.000 0.417) 4.839 5.548 ( -5.918 0.000 -3.901) 7.088 5.650 ( 5.708 0.000 2.377) 6.183 5.706 ( 3.502 0.000 -3.290) 4.805 5.782 ( -4.607 0.000 3.634) 5.867 5.944 ( -3.642 0.000 -1.788) 4.058 5.983 ( -0.868 0.000 3.632) 3.734 6.018 ( 0.743 0.000 3.133) 3.220 6.091 ( -2.771 0.000 1.433) 3.119 6.113 ( 2.332 0.000 -2.270) 3.255 6.219 ( -0.288 0.000 5.392) 5.400 6.324 ( -5.325 0.000 2.382) 5.834 6.412 ( -3.370 0.000 -1.714) 3.781 6.471 ( 2.506 0.000 -3.920) 4.653 6.616 ( 4.601 0.000 3.553) 5.814 6.731 ( -6.875 0.000 7.054) 9.850 6.737 ( 3.858 0.000 -1.980) 4.337 6.753 ( 1.151 0.000 -0.645) 1.320 6.759 ( 2.862 0.000 -1.126) 3.075 6.894 ( -3.226 0.000 4.689) 5.692 6.906 ( -5.333 0.000 4.547) 7.009 6.912 ( -4.597 0.000 -4.359) 6.335 6.951 ( -0.015 0.000 0.286) 0.286 6.994 ( 1.997 0.000 -3.768) 4.265 7.241 ( 5.517 0.000 3.148) 6.352 7.317 ( -0.382 0.000 2.493) 2.522 7.382 ( 5.044 0.000 -1.134) 5.170 7.427 ( 0.312 0.000 3.059) 3.074 7.512 ( -6.389 0.000 9.158) 11.167 7.530 ( -0.949 0.000 6.756) 6.822 7.620 ( 1.262 0.000 2.614) 2.903 7.769 ( 6.381 0.000 -6.065) 8.803 7.799 ( 0.311 0.000 1.582) 1.612 7.824 ( 2.403 0.000 -4.215) 4.852 7.950 ( -4.109 0.000 1.411) 4.344 8.037 ( -0.047 0.000 -5.040) 5.040 8.219 ( 1.872 0.000 -7.471) 7.702 8.297 ( -4.611 0.000 -3.843) 6.002 8.362 ( 4.759 0.000 -0.807) 4.827 8.393 ( -2.212 0.000 -2.764) 3.540 8.448 ( -1.260 0.000 -9.717) 9.798 8.479 ( -5.194 0.000 -4.676) 6.988 8.732 ( 0.393 0.000 3.692) 3.713 8.843 ( 2.821 0.000 -2.066) 3.496 8.886 ( 2.536 0.000 -1.610) 3.004 8.918 ( -1.383 0.000 -1.880) 2.334 9.136 ( 1.866 0.000 5.135) 5.463 9.230 ( 0.461 0.000 3.092) 3.126 9.370 ( 4.145 0.000 1.192) 4.313 9.403 ( -2.260 0.000 2.601) 3.446 9.474 ( -0.125 0.000 1.101) 1.108 9.565 ( -1.715 0.000 2.136) 2.739 9.644 ( 6.056 0.000 -2.312) 6.482 9.668 ( -6.090 0.000 -1.555) 6.285 9.764 ( 0.787 0.000 -1.601) 1.784 9.787 ( -8.282 0.000 2.689) 8.707 9.830 ( 0.120 0.000 0.001) 0.120 9.848 ( -1.093 0.000 3.808) 3.962 9.996 ( 6.455 0.000 -3.567) 7.375 9.997 ( 1.309 0.000 -4.598) 4.781 10.238 ( 0.952 0.000 3.479) 3.607 10.330 ( 2.920 0.000 3.041) 4.216 10.395 ( -1.295 0.000 0.393) 1.353 10.431 ( -3.108 0.000 -0.306) 3.123 10.568 ( 3.011 0.000 -0.500) 3.052 10.584 ( -0.616 0.000 -0.093) 0.623 10.799 ( 0.335 0.000 3.325) 3.342 10.924 ( 1.073 0.000 -2.823) 3.020 10.924 ( 1.887 0.000 6.213) 6.494 11.010 ( -1.510 0.000 2.010) 2.514 11.116 ( -0.094 0.000 -2.417) 2.419 11.208 ( -0.186 0.000 -2.909) 2.915 11.328 ( 1.729 0.000 4.266) 4.603 11.343 ( -4.039 0.000 -1.063) 4.176 11.446 ( 1.652 0.000 0.319) 1.682 11.453 ( -0.312 0.000 -5.124) 5.133 11.623 ( 1.232 0.000 2.247) 2.563 11.841 ( -10.562 0.000 -2.472) 10.847 11.923 ( 1.974 0.000 2.333) 3.056 12.026 ( -1.711 0.000 0.598) 1.813 12.103 ( -1.524 0.000 3.371) 3.700 12.207 ( 1.292 0.000 -2.253) 2.597 12.374 ( 1.138 0.000 5.613) 5.727 12.432 ( -0.107 0.000 -0.327) 0.344 12.619 ( -3.047 0.000 -2.173) 3.743 12.661 ( 2.464 0.000 -4.206) 4.875 12.807 ( 5.955 0.000 0.707) 5.997 12.951 ( -7.145 0.000 2.413) 7.541 12.989 ( 3.885 0.000 -0.187) 3.890 13.053 ( 1.853 0.000 -2.362) 3.002 13.227 ( 3.879 0.000 0.203) 3.885 13.236 ( 0.308 0.000 -0.557) 0.636 14.497 ( 2.775 0.000 -0.937) 2.929 14.572 ( -7.593 0.000 -0.779) 7.633 15.337 ( 5.408 0.000 4.649) 7.132 15.522 ( -5.459 0.000 0.584) 5.490 15.768 ( 8.511 0.000 -4.884) 9.813 15.780 ( -3.100 0.000 -3.013) 4.323 15.940 ( 8.067 0.000 1.489) 8.203 16.059 ( -0.646 0.000 -1.975) 2.078 16.732 ( 4.838 0.000 1.913) 5.203 16.813 ( -3.247 0.000 -1.083) 3.423 16.834 ( 1.342 0.000 -0.627) 1.482 16.867 ( -2.660 0.000 -1.194) 2.915 17.046 ( 0.080 0.000 2.523) 2.524 17.153 ( -2.307 0.000 -0.786) 2.437 17.406 ( -11.581 0.000 14.041) 18.201 17.521 ( 7.205 0.000 11.433) 13.514 18.046 ( 0.164 0.000 3.429) 3.433 18.099 ( -0.322 0.000 0.708) 0.778 18.191 ( -2.486 0.000 -6.206) 6.685 18.215 ( -0.414 0.000 -3.802) 3.825 18.317 ( -0.395 0.000 2.143) 2.179 18.359 ( 1.424 0.000 -0.060) 1.425 18.417 ( -0.236 0.000 0.689) 0.728 18.452 ( -0.387 0.000 -1.840) 1.881 18.755 ( -0.017 0.000 0.884) 0.884 18.795 ( -3.756 0.000 -1.296) 3.973 18.818 ( 1.165 0.000 -0.479) 1.259 18.902 ( 4.373 0.000 -3.441) 5.564 19.060 ( 4.670 0.000 6.506) 8.008 19.231 ( -0.574 0.000 9.377) 9.395 19.589 ( -3.735 0.000 -15.440) 15.886 19.651 ( -2.933 0.000 -13.399) 13.717 ======================= Grid point 74 (38/54) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( -11.561 0.000 -0.726) 11.583 0.824 ( -12.504 0.000 0.671) 12.522 0.935 ( 4.257 0.000 1.407) 4.484 1.016 ( 7.390 0.000 -0.400) 7.401 1.113 ( -6.503 0.000 4.762) 8.060 1.218 ( 0.781 0.000 -6.108) 6.158 1.253 ( 1.670 0.000 1.609) 2.319 1.254 ( 1.543 0.000 -2.391) 2.846 1.279 ( 1.809 0.000 3.234) 3.706 1.281 ( -0.210 0.000 -0.743) 0.773 1.380 ( 2.074 0.000 3.149) 3.771 1.396 ( 3.179 0.000 -3.348) 4.617 1.431 ( -4.551 0.000 0.155) 4.554 1.441 ( -2.847 0.000 2.676) 3.907 1.574 ( 0.468 0.000 2.589) 2.631 1.614 ( 1.417 0.000 -2.204) 2.620 1.637 ( 0.047 0.000 3.643) 3.643 1.649 ( -1.019 0.000 -3.173) 3.333 1.690 ( -12.593 0.000 -1.387) 12.669 1.716 ( -3.808 0.000 0.887) 3.910 1.792 ( 3.290 0.000 -0.262) 3.300 1.847 ( 2.009 0.000 -1.072) 2.277 1.955 ( -4.054 0.000 -1.670) 4.384 2.043 ( 8.970 0.000 1.935) 9.176 2.067 ( 0.536 0.000 1.000) 1.135 2.102 ( 1.625 0.000 -2.722) 3.170 2.183 ( -0.130 0.000 -2.468) 2.471 2.208 ( -1.369 0.000 -3.210) 3.490 2.248 ( 2.330 0.000 0.117) 2.332 2.266 ( 3.208 0.000 4.564) 5.579 2.400 ( -2.515 0.000 3.859) 4.606 2.421 ( -3.382 0.000 -6.725) 7.528 2.423 ( -1.866 0.000 2.349) 3.000 2.488 ( 3.604 0.000 -1.141) 3.780 2.639 ( 1.200 0.000 -0.081) 1.203 2.640 ( 0.699 0.000 2.656) 2.746 2.808 ( 1.320 0.000 0.471) 1.402 2.811 ( 0.581 0.000 -0.021) 0.582 2.869 ( 1.057 0.000 1.520) 1.851 2.898 ( 2.063 0.000 -2.382) 3.152 3.013 ( -9.545 0.000 -4.772) 10.672 3.120 ( 6.558 0.000 2.900) 7.170 3.175 ( -5.781 0.000 -1.223) 5.909 3.191 ( -2.313 0.000 0.998) 2.519 3.252 ( -3.962 0.000 0.913) 4.066 3.292 ( 1.239 0.000 1.243) 1.755 3.341 ( 1.299 0.000 -2.391) 2.721 3.388 ( 8.152 0.000 -1.113) 8.227 3.471 ( -2.088 0.000 -3.758) 4.299 3.503 ( 4.642 0.000 0.317) 4.652 3.551 ( -6.735 0.000 -0.733) 6.775 3.643 ( 5.699 0.000 4.351) 7.170 3.739 ( -3.551 0.000 4.244) 5.534 3.800 ( 0.702 0.000 2.778) 2.865 3.842 ( 3.689 0.000 -3.495) 5.082 3.853 ( -1.243 0.000 -0.904) 1.537 3.944 ( 0.530 0.000 -3.731) 3.768 3.949 ( -0.066 0.000 1.932) 1.934 3.982 ( 4.254 0.000 1.692) 4.578 4.003 ( 2.912 0.000 -5.094) 5.868 4.314 ( -5.676 0.000 -3.441) 6.637 4.327 ( -4.518 0.000 -7.583) 8.827 4.360 ( 4.665 0.000 6.884) 8.316 4.389 ( 5.297 0.000 1.915) 5.633 4.424 ( -4.043 0.000 1.769) 4.413 4.500 ( 5.143 0.000 1.445) 5.342 4.640 ( -4.363 0.000 3.880) 5.838 4.663 ( -0.147 0.000 -0.745) 0.759 4.672 ( 1.770 0.000 2.220) 2.839 4.712 ( 1.673 0.000 -2.709) 3.184 4.904 ( -6.576 0.000 3.670) 7.531 4.996 ( 0.963 0.000 -6.114) 6.190 5.048 ( -3.329 0.000 4.597) 5.676 5.107 ( 1.815 0.000 -1.386) 2.284 5.151 ( -2.069 0.000 -4.754) 5.185 5.168 ( 1.843 0.000 2.539) 3.137 5.355 ( -2.252 0.000 -0.926) 2.435 5.399 ( 3.306 0.000 1.196) 3.516 5.426 ( -3.841 0.000 -0.432) 3.865 5.468 ( 1.157 0.000 -2.469) 2.726 5.501 ( 3.501 0.000 0.254) 3.510 5.512 ( 4.785 0.000 2.517) 5.406 5.674 ( -3.278 0.000 0.114) 3.280 5.682 ( -3.241 0.000 -1.524) 3.582 5.859 ( 2.958 0.000 5.164) 5.951 5.878 ( 1.522 0.000 -4.140) 4.411 6.020 ( -0.253 0.000 3.991) 3.999 6.049 ( 0.979 0.000 -1.996) 2.224 6.077 ( -0.143 0.000 0.771) 0.784 6.116 ( 2.403 0.000 -1.975) 3.111 6.302 ( 1.968 0.000 4.256) 4.689 6.310 ( -0.758 0.000 0.522) 0.920 6.345 ( -5.736 0.000 4.286) 7.161 6.460 ( 3.878 0.000 -4.034) 5.596 6.681 ( -6.467 0.000 3.930) 7.567 6.687 ( -4.487 0.000 -3.641) 5.779 6.704 ( -2.108 0.000 3.152) 3.792 6.769 ( 0.478 0.000 -2.084) 2.138 6.818 ( 2.936 0.000 3.771) 4.779 6.853 ( 4.343 0.000 -3.554) 5.612 6.900 ( -0.250 0.000 3.523) 3.532 6.922 ( 0.810 0.000 2.132) 2.281 6.972 ( 1.909 0.000 -0.244) 1.925 6.997 ( 4.857 0.000 -3.540) 6.010 7.305 ( -4.622 0.000 -1.114) 4.754 7.354 ( 1.671 0.000 0.109) 1.675 7.383 ( -5.676 0.000 -2.093) 6.049 7.432 ( 2.444 0.000 0.819) 2.578 7.571 ( -3.887 0.000 8.799) 9.619 7.611 ( 1.794 0.000 4.141) 4.513 7.663 ( 3.941 0.000 -0.147) 3.944 7.751 ( 6.964 0.000 -11.637) 13.562 7.776 ( -5.119 0.000 -0.476) 5.141 7.842 ( 2.979 0.000 -1.062) 3.163 7.945 ( 0.463 0.000 2.910) 2.947 7.998 ( 3.676 0.000 -4.082) 5.493 8.131 ( -7.612 0.000 -0.579) 7.634 8.204 ( 1.361 0.000 2.329) 2.697 8.356 ( 0.347 0.000 -0.114) 0.365 8.382 ( 3.303 0.000 -2.205) 3.972 8.394 ( 1.134 0.000 -2.683) 2.913 8.432 ( 5.871 0.000 -1.499) 6.059 8.779 ( -2.528 0.000 4.054) 4.778 8.812 ( -1.859 0.000 -4.143) 4.541 8.866 ( -2.611 0.000 0.480) 2.655 8.900 ( 1.764 0.000 -0.308) 1.791 9.199 ( -2.681 0.000 4.403) 5.155 9.226 ( -1.593 0.000 -2.414) 2.892 9.387 ( -4.064 0.000 0.672) 4.119 9.438 ( -1.178 0.000 3.203) 3.413 9.485 ( -4.517 0.000 -4.060) 6.074 9.519 ( 1.042 0.000 5.311) 5.412 9.598 ( -1.990 0.000 1.835) 2.707 9.682 ( 3.641 0.000 -2.637) 4.496 9.735 ( -1.919 0.000 1.153) 2.239 9.824 ( 6.616 0.000 -0.414) 6.629 9.853 ( -1.927 0.000 -0.123) 1.931 9.865 ( 0.803 0.000 3.920) 4.001 9.978 ( 1.852 0.000 -2.365) 3.004 9.994 ( 2.666 0.000 -6.056) 6.617 10.328 ( -1.013 0.000 -5.472) 5.565 10.347 ( 5.177 0.000 3.110) 6.040 10.366 ( -4.885 0.000 0.153) 4.887 10.404 ( 1.835 0.000 2.331) 2.967 10.562 ( -1.490 0.000 -0.173) 1.500 10.597 ( 2.006 0.000 -0.455) 2.057 10.834 ( -3.269 0.000 5.465) 6.368 10.854 ( -5.393 0.000 -3.057) 6.199 11.003 ( -0.551 0.000 0.614) 0.825 11.060 ( 4.905 0.000 2.606) 5.554 11.124 ( 0.635 0.000 2.061) 2.157 11.131 ( -1.687 0.000 -4.398) 4.710 11.347 ( -0.401 0.000 3.533) 3.555 11.366 ( -0.553 0.000 -3.682) 3.724 11.392 ( -1.918 0.000 4.316) 4.723 11.415 ( -1.437 0.000 -2.690) 3.050 11.673 ( -5.405 0.000 -2.779) 6.078 11.749 ( 6.471 0.000 5.642) 8.585 11.990 ( 1.288 0.000 -3.122) 3.377 12.005 ( 4.257 0.000 1.919) 4.670 12.159 ( 1.115 0.000 2.941) 3.146 12.190 ( 2.470 0.000 -4.345) 4.998 12.423 ( -0.272 0.000 0.988) 1.025 12.433 ( 0.491 0.000 -0.516) 0.712 12.576 ( -3.358 0.000 3.330) 4.729 12.638 ( 2.077 0.000 -3.078) 3.713 12.829 ( -8.471 0.000 -0.975) 8.527 12.904 ( 2.770 0.000 2.381) 3.653 13.017 ( -1.283 0.000 0.898) 1.566 13.065 ( 3.265 0.000 -2.507) 4.116 13.228 ( -1.636 0.000 -0.326) 1.668 13.241 ( -0.467 0.000 -1.395) 1.471 14.475 ( -4.271 0.000 0.874) 4.359 14.564 ( 6.997 0.000 0.094) 6.997 15.420 ( -5.461 0.000 -3.328) 6.395 15.480 ( 4.890 0.000 4.199) 6.445 15.694 ( -7.244 0.000 2.093) 7.540 15.798 ( 3.325 0.000 -4.073) 5.257 15.970 ( -7.085 0.000 -1.740) 7.296 16.029 ( 1.116 0.000 0.961) 1.473 16.751 ( -3.888 0.000 0.285) 3.899 16.801 ( 2.999 0.000 0.151) 3.002 16.832 ( -0.376 0.000 -0.917) 0.991 16.859 ( 3.298 0.000 -0.179) 3.303 17.089 ( -3.254 0.000 -1.554) 3.606 17.093 ( -0.792 0.000 4.019) 4.096 17.545 ( 1.302 0.000 14.234) 14.294 17.650 ( 7.450 0.000 -7.163) 10.335 18.087 ( 0.091 0.000 2.788) 2.789 18.095 ( 0.031 0.000 -1.026) 1.026 18.129 ( 0.803 0.000 0.965) 1.255 18.134 ( -1.258 0.000 -4.247) 4.429 18.345 ( -0.920 0.000 1.977) 2.181 18.368 ( 0.443 0.000 -2.425) 2.465 18.417 ( -1.618 0.000 2.160) 2.699 18.431 ( -0.924 0.000 -0.300) 0.972 18.754 ( -0.922 0.000 1.409) 1.684 18.756 ( -0.407 0.000 0.861) 0.952 18.855 ( 1.681 0.000 1.245) 2.092 18.878 ( 1.432 0.000 -5.967) 6.137 19.282 ( 4.838 0.000 13.533) 14.372 19.300 ( -3.899 0.000 -17.967) 18.385 19.371 ( -0.628 0.000 12.875) 12.890 19.474 ( 2.785 0.000 -13.264) 13.553 ======================= Grid point 75 (39/54) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( -17.136 0.000 1.003) 17.165 0.597 ( -14.689 0.000 5.200) 15.582 1.013 ( -7.081 0.000 2.529) 7.519 1.039 ( -5.722 0.000 7.309) 9.283 1.064 ( 1.639 0.000 -2.314) 2.836 1.165 ( 3.407 0.000 -4.767) 5.859 1.228 ( -1.634 0.000 -1.855) 2.473 1.251 ( 1.171 0.000 -0.258) 1.199 1.288 ( -2.508 0.000 2.014) 3.217 1.327 ( 1.091 0.000 -0.215) 1.112 1.405 ( -2.864 0.000 4.220) 5.100 1.422 ( -2.457 0.000 2.174) 3.281 1.467 ( 3.022 0.000 2.433) 3.880 1.475 ( 7.179 0.000 -0.098) 7.180 1.497 ( -8.447 0.000 3.289) 9.065 1.553 ( -2.769 0.000 -0.584) 2.830 1.622 ( 0.675 0.000 -0.165) 0.695 1.625 ( -0.702 0.000 -0.625) 0.940 1.713 ( 2.895 0.000 1.913) 3.470 1.714 ( -0.049 0.000 1.452) 1.453 1.832 ( -1.977 0.000 0.826) 2.142 1.846 ( 2.847 0.000 -0.059) 2.848 1.888 ( -2.383 0.000 -0.333) 2.406 2.042 ( -1.836 0.000 -7.003) 7.240 2.069 ( 0.290 0.000 -3.020) 3.034 2.116 ( -0.935 0.000 -0.725) 1.183 2.154 ( 3.616 0.000 -2.059) 4.161 2.197 ( 4.679 0.000 -0.781) 4.744 2.281 ( -2.861 0.000 -3.855) 4.801 2.308 ( 2.295 0.000 -0.886) 2.460 2.331 ( -4.053 0.000 1.151) 4.213 2.345 ( 0.246 0.000 0.778) 0.816 2.507 ( 1.994 0.000 -0.600) 2.082 2.516 ( 2.376 0.000 5.254) 5.766 2.681 ( 1.271 0.000 1.744) 2.158 2.767 ( 0.637 0.000 4.018) 4.068 2.807 ( 3.398 0.000 2.724) 4.356 2.841 ( -9.647 0.000 3.659) 10.318 2.867 ( 3.411 0.000 0.297) 3.424 2.882 ( 3.580 0.000 -4.027) 5.388 2.921 ( 2.829 0.000 1.427) 3.169 3.072 ( -5.239 0.000 -0.482) 5.261 3.120 ( -5.649 0.000 0.467) 5.668 3.213 ( -0.439 0.000 0.401) 0.595 3.217 ( -3.839 0.000 2.695) 4.690 3.292 ( -3.572 0.000 0.550) 3.614 3.307 ( 2.217 0.000 -6.975) 7.319 3.420 ( 5.079 0.000 -2.285) 5.570 3.470 ( 6.210 0.000 -2.501) 6.695 3.558 ( 2.059 0.000 1.387) 2.483 3.567 ( 3.690 0.000 -0.732) 3.762 3.734 ( -1.233 0.000 -1.334) 1.816 3.779 ( -6.001 0.000 0.675) 6.039 3.794 ( -0.518 0.000 6.412) 6.433 3.810 ( -1.924 0.000 -0.440) 1.974 3.863 ( 1.926 0.000 -0.549) 2.002 3.970 ( 8.765 0.000 -0.629) 8.788 3.981 ( 0.314 0.000 2.231) 2.253 4.022 ( 6.147 0.000 -1.854) 6.421 4.092 ( 5.792 0.000 2.226) 6.205 4.189 ( -1.310 0.000 -3.632) 3.861 4.196 ( -1.831 0.000 -2.735) 3.292 4.353 ( -4.542 0.000 -0.195) 4.546 4.419 ( 1.205 0.000 -2.727) 2.982 4.555 ( 2.428 0.000 0.745) 2.540 4.573 ( -1.582 0.000 1.963) 2.521 4.604 ( 1.461 0.000 -1.104) 1.831 4.656 ( 1.501 0.000 6.759) 6.923 4.686 ( -0.635 0.000 -3.073) 3.138 4.718 ( 0.498 0.000 -1.989) 2.050 4.828 ( -4.960 0.000 1.870) 5.301 4.923 ( -0.386 0.000 -0.917) 0.995 5.083 ( -3.656 0.000 6.186) 7.186 5.095 ( -0.358 0.000 -1.570) 1.610 5.097 ( 0.682 0.000 -1.474) 1.624 5.227 ( -2.819 0.000 -5.684) 6.345 5.249 ( -2.347 0.000 3.531) 4.240 5.401 ( 1.914 0.000 -1.275) 2.300 5.433 ( 0.035 0.000 0.244) 0.246 5.472 ( 1.894 0.000 -1.082) 2.182 5.581 ( -3.916 0.000 -1.907) 4.356 5.605 ( -2.792 0.000 4.945) 5.679 5.635 ( 6.981 0.000 3.590) 7.849 5.637 ( 4.129 0.000 -1.873) 4.534 5.863 ( 2.500 0.000 -3.244) 4.096 5.909 ( -3.275 0.000 2.608) 4.187 6.022 ( 2.017 0.000 -3.628) 4.151 6.091 ( 2.691 0.000 1.266) 2.974 6.096 ( 0.812 0.000 -0.574) 0.994 6.138 ( 4.504 0.000 -2.120) 4.978 6.236 ( -1.686 0.000 -3.657) 4.027 6.391 ( 3.366 0.000 1.299) 3.608 6.404 ( -1.570 0.000 6.933) 7.109 6.477 ( 2.982 0.000 -1.190) 3.211 6.571 ( -2.237 0.000 -3.156) 3.869 6.615 ( -8.138 0.000 3.818) 8.990 6.735 ( 0.856 0.000 2.390) 2.538 6.754 ( 0.659 0.000 -1.771) 1.890 6.839 ( 1.524 0.000 -5.518) 5.725 6.887 ( -0.390 0.000 4.446) 4.463 6.972 ( 2.704 0.000 0.342) 2.725 6.990 ( 2.313 0.000 -1.576) 2.799 7.015 ( 6.827 0.000 2.558) 7.291 7.017 ( 5.089 0.000 -5.846) 7.751 7.178 ( -4.154 0.000 -0.743) 4.220 7.294 ( -5.383 0.000 1.182) 5.512 7.332 ( -0.060 0.000 -2.337) 2.338 7.437 ( -0.554 0.000 -1.971) 2.047 7.549 ( -3.568 0.000 -4.384) 5.652 7.584 ( -7.527 0.000 -5.195) 9.146 7.667 ( 4.727 0.000 -12.547) 13.408 7.680 ( -1.563 0.000 1.628) 2.257 7.794 ( 2.963 0.000 4.695) 5.552 7.838 ( 3.909 0.000 -3.036) 4.950 8.019 ( 3.062 0.000 -1.115) 3.259 8.032 ( 3.470 0.000 3.809) 5.153 8.187 ( 4.079 0.000 7.605) 8.630 8.236 ( -4.676 0.000 4.440) 6.448 8.350 ( 1.274 0.000 -1.282) 1.808 8.422 ( 2.376 0.000 0.117) 2.379 8.485 ( 5.161 0.000 5.138) 7.282 8.552 ( 8.337 0.000 4.708) 9.575 8.723 ( -3.225 0.000 -1.624) 3.610 8.761 ( -4.799 0.000 1.316) 4.976 8.825 ( -4.423 0.000 1.018) 4.539 8.931 ( 0.944 0.000 1.569) 1.831 9.121 ( -4.404 0.000 -5.688) 7.193 9.189 ( -3.860 0.000 2.265) 4.475 9.321 ( -2.482 0.000 -1.330) 2.816 9.380 ( -5.483 0.000 2.948) 6.225 9.461 ( -1.297 0.000 1.053) 1.671 9.582 ( -2.092 0.000 1.865) 2.803 9.587 ( -0.981 0.000 -0.900) 1.331 9.710 ( 0.391 0.000 -2.565) 2.595 9.752 ( 1.352 0.000 5.587) 5.748 9.841 ( 3.283 0.000 -0.629) 3.343 9.894 ( 2.563 0.000 -3.575) 4.399 9.911 ( 3.313 0.000 -1.140) 3.503 9.946 ( -1.000 0.000 -3.185) 3.338 10.001 ( 6.226 0.000 1.206) 6.342 10.248 ( -2.296 0.000 -1.957) 3.016 10.309 ( 0.195 0.000 -2.167) 2.175 10.393 ( -2.340 0.000 -0.849) 2.490 10.468 ( 2.312 0.000 0.763) 2.435 10.532 ( -1.878 0.000 -1.880) 2.657 10.600 ( 0.725 0.000 -1.448) 1.620 10.726 ( -7.201 0.000 1.233) 7.306 10.900 ( 1.785 0.000 5.771) 6.041 10.967 ( 0.915 0.000 -5.662) 5.736 11.022 ( -2.670 0.000 -6.109) 6.667 11.113 ( 0.878 0.000 2.255) 2.420 11.196 ( 0.834 0.000 3.456) 3.555 11.303 ( -3.645 0.000 -2.395) 4.362 11.372 ( -0.518 0.000 1.387) 1.481 11.410 ( -1.363 0.000 3.324) 3.592 11.433 ( 0.355 0.000 3.520) 3.538 11.637 ( 2.985 0.000 0.085) 2.987 11.883 ( 0.444 0.000 2.943) 2.976 12.030 ( 9.757 0.000 -2.272) 10.018 12.061 ( 2.158 0.000 -1.441) 2.595 12.186 ( 5.586 0.000 -3.823) 6.769 12.203 ( 1.730 0.000 0.742) 1.883 12.390 ( -1.491 0.000 -6.656) 6.821 12.424 ( -0.535 0.000 0.795) 0.958 12.584 ( -4.151 0.000 4.555) 6.163 12.629 ( -2.481 0.000 -0.636) 2.562 12.723 ( -2.754 0.000 2.962) 4.044 12.925 ( -3.571 0.000 -0.063) 3.572 13.007 ( -2.538 0.000 1.290) 2.847 13.062 ( 4.419 0.000 -4.378) 6.221 13.161 ( -4.869 0.000 -0.985) 4.967 13.219 ( -1.432 0.000 1.089) 1.800 14.460 ( -1.175 0.000 1.887) 2.223 14.693 ( 8.294 0.000 0.159) 8.296 15.276 ( -5.828 0.000 -3.737) 6.923 15.616 ( 6.678 0.000 2.225) 7.039 15.624 ( -6.610 0.000 2.880) 7.210 15.756 ( -5.373 0.000 -0.626) 5.409 15.827 ( -6.152 0.000 -1.435) 6.317 16.014 ( -4.418 0.000 1.318) 4.611 16.656 ( -7.061 0.000 -1.969) 7.330 16.828 ( 0.640 0.000 -0.292) 0.703 16.839 ( 0.619 0.000 -0.091) 0.626 16.909 ( 2.520 0.000 -0.815) 2.649 17.053 ( 0.367 0.000 0.206) 0.421 17.148 ( 0.030 0.000 4.947) 4.947 17.536 ( -3.958 0.000 -19.753) 20.146 17.676 ( 13.526 0.000 -10.850) 17.339 18.064 ( 0.057 0.000 -3.807) 3.807 18.106 ( 0.185 0.000 -0.673) 0.698 18.187 ( -0.445 0.000 5.085) 5.104 18.218 ( 6.446 0.000 9.190) 11.225 18.327 ( -0.393 0.000 -1.706) 1.750 18.344 ( -0.174 0.000 0.065) 0.185 18.413 ( -1.480 0.000 0.398) 1.533 18.431 ( -0.943 0.000 2.858) 3.010 18.764 ( -0.893 0.000 -4.180) 4.275 18.766 ( -4.798 0.000 5.237) 7.102 18.798 ( -1.201 0.000 -0.009) 1.201 18.887 ( 3.313 0.000 -1.798) 3.769 19.011 ( -6.773 0.000 -6.753) 9.564 19.312 ( 1.144 0.000 -12.563) 12.615 19.581 ( 6.047 0.000 14.854) 16.038 19.648 ( 9.491 0.000 20.907) 22.960 ======================= Grid point 76 (40/54) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( -6.829 0.000 13.372) 15.015 0.548 ( -7.799 0.000 13.306) 15.423 0.893 ( -15.654 0.000 12.110) 19.791 1.027 ( -0.191 0.000 -4.198) 4.202 1.092 ( -2.359 0.000 2.368) 3.342 1.172 ( 3.533 0.000 -2.354) 4.245 1.202 ( 2.126 0.000 -0.312) 2.149 1.273 ( -2.025 0.000 0.416) 2.067 1.289 ( 4.187 0.000 -1.007) 4.306 1.321 ( -0.376 0.000 -0.597) 0.705 1.408 ( -3.604 0.000 2.694) 4.500 1.441 ( -5.448 0.000 9.906) 11.305 1.467 ( 0.307 0.000 0.516) 0.601 1.515 ( -2.890 0.000 0.214) 2.898 1.546 ( 0.840 0.000 1.203) 1.467 1.560 ( 2.116 0.000 0.044) 2.117 1.608 ( 4.153 0.000 -2.929) 5.082 1.626 ( 0.350 0.000 -0.497) 0.608 1.720 ( -0.501 0.000 0.207) 0.543 1.748 ( -0.762 0.000 0.864) 1.152 1.838 ( 0.729 0.000 1.325) 1.512 1.844 ( -2.741 0.000 -0.912) 2.889 1.925 ( 6.068 0.000 2.151) 6.438 1.952 ( 3.430 0.000 -4.147) 5.381 2.026 ( 0.351 0.000 -3.533) 3.550 2.092 ( -0.953 0.000 -1.617) 1.877 2.155 ( -3.035 0.000 -4.979) 5.831 2.196 ( 3.227 0.000 0.482) 3.263 2.251 ( 1.586 0.000 0.420) 1.640 2.286 ( -1.601 0.000 2.431) 2.911 2.343 ( 0.746 0.000 -1.754) 1.906 2.356 ( 0.478 0.000 2.212) 2.263 2.535 ( 0.840 0.000 0.279) 0.885 2.620 ( 2.559 0.000 4.347) 5.044 2.712 ( -12.148 0.000 -0.577) 12.161 2.718 ( 0.129 0.000 1.820) 1.825 2.752 ( 0.004 0.000 1.618) 1.618 2.827 ( 1.171 0.000 -3.717) 3.897 2.906 ( -0.193 0.000 -3.138) 3.144 2.930 ( 1.078 0.000 -1.929) 2.210 2.955 ( -4.843 0.000 -0.543) 4.873 2.997 ( -7.023 0.000 -2.951) 7.618 3.120 ( 8.982 0.000 8.026) 12.045 3.197 ( -1.238 0.000 -2.027) 2.375 3.209 ( -0.022 0.000 -1.361) 1.361 3.249 ( -0.635 0.000 -0.133) 0.649 3.278 ( 2.113 0.000 1.102) 2.384 3.479 ( 2.116 0.000 -1.573) 2.636 3.523 ( 7.789 0.000 -4.131) 8.816 3.575 ( 0.566 0.000 -0.418) 0.704 3.593 ( 1.396 0.000 -1.675) 2.180 3.643 ( -4.784 0.000 -2.179) 5.257 3.685 ( -5.325 0.000 1.784) 5.616 3.769 ( -1.884 0.000 -0.237) 1.899 3.843 ( -3.038 0.000 -1.508) 3.392 3.857 ( -4.296 0.000 4.607) 6.300 4.011 ( -1.007 0.000 -1.000) 1.419 4.026 ( 1.371 0.000 3.051) 3.345 4.096 ( 4.864 0.000 -1.331) 5.043 4.191 ( 1.965 0.000 -1.560) 2.509 4.193 ( 2.888 0.000 1.066) 3.079 4.211 ( 4.628 0.000 -0.626) 4.670 4.276 ( -4.950 0.000 1.362) 5.134 4.400 ( 1.175 0.000 -2.569) 2.825 4.531 ( -4.276 0.000 -3.536) 5.549 4.561 ( 4.003 0.000 0.425) 4.025 4.658 ( 1.654 0.000 0.280) 1.677 4.690 ( 5.379 0.000 -0.461) 5.398 4.731 ( 4.776 0.000 3.738) 6.065 4.779 ( 0.801 0.000 1.754) 1.928 4.807 ( -1.471 0.000 4.725) 4.949 4.967 ( -1.214 0.000 5.806) 5.932 5.024 ( -1.224 0.000 -7.142) 7.247 5.080 ( -2.105 0.000 1.094) 2.372 5.099 ( -1.399 0.000 -0.494) 1.484 5.125 ( 3.502 0.000 -0.965) 3.632 5.299 ( -1.147 0.000 4.936) 5.067 5.410 ( -5.726 0.000 2.688) 6.325 5.434 ( 4.765 0.000 -1.869) 5.118 5.472 ( 0.461 0.000 -0.875) 0.989 5.515 ( 0.764 0.000 -1.831) 1.984 5.636 ( 0.472 0.000 3.912) 3.940 5.687 ( 2.588 0.000 -1.730) 3.113 5.770 ( 2.542 0.000 0.370) 2.569 5.876 ( 2.582 0.000 2.142) 3.355 5.881 ( -4.170 0.000 2.683) 4.958 6.013 ( 1.243 0.000 -4.371) 4.545 6.065 ( 3.791 0.000 -3.542) 5.188 6.088 ( -2.758 0.000 -1.168) 2.995 6.171 ( 4.291 0.000 -4.308) 6.081 6.227 ( 0.346 0.000 2.412) 2.437 6.391 ( -1.311 0.000 -2.003) 2.394 6.454 ( -2.724 0.000 5.190) 5.861 6.526 ( 3.977 0.000 0.641) 4.028 6.567 ( -2.412 0.000 2.031) 3.153 6.573 ( 5.219 0.000 -1.039) 5.321 6.730 ( -1.182 0.000 -1.365) 1.806 6.764 ( 0.097 0.000 -1.102) 1.106 6.772 ( 1.303 0.000 -5.043) 5.209 6.909 ( -1.587 0.000 0.517) 1.670 6.976 ( 2.352 0.000 -5.434) 5.921 7.006 ( -2.938 0.000 2.197) 3.669 7.028 ( 2.748 0.000 0.354) 2.770 7.099 ( 1.527 0.000 -4.837) 5.072 7.177 ( -1.627 0.000 2.111) 2.665 7.244 ( -0.373 0.000 -0.307) 0.483 7.280 ( -3.715 0.000 -2.658) 4.568 7.375 ( 1.067 0.000 -3.069) 3.249 7.428 ( -2.185 0.000 1.197) 2.492 7.473 ( -0.450 0.000 -0.424) 0.618 7.552 ( -1.992 0.000 -5.234) 5.600 7.662 ( -3.258 0.000 0.122) 3.261 7.880 ( 5.120 0.000 -1.584) 5.360 7.893 ( 1.985 0.000 3.330) 3.877 8.043 ( 1.780 0.000 -0.209) 1.792 8.115 ( 1.092 0.000 2.171) 2.431 8.199 ( -1.833 0.000 -1.717) 2.512 8.323 ( 4.202 0.000 1.312) 4.402 8.371 ( 1.170 0.000 1.122) 1.621 8.412 ( -5.053 0.000 0.417) 5.071 8.564 ( -5.876 0.000 3.556) 6.868 8.623 ( -3.848 0.000 -5.776) 6.940 8.693 ( -1.293 0.000 4.204) 4.398 8.787 ( 8.325 0.000 2.492) 8.690 8.817 ( 1.027 0.000 2.752) 2.938 8.951 ( -5.902 0.000 -0.843) 5.962 9.018 ( 2.931 0.000 2.480) 3.840 9.178 ( -0.307 0.000 1.344) 1.378 9.297 ( -0.882 0.000 1.623) 1.847 9.379 ( -0.132 0.000 2.109) 2.113 9.458 ( -1.026 0.000 1.316) 1.669 9.527 ( -4.870 0.000 -0.583) 4.905 9.553 ( -0.852 0.000 -0.632) 1.061 9.644 ( -0.481 0.000 -4.385) 4.411 9.807 ( -3.129 0.000 -0.461) 3.163 9.844 ( 1.807 0.000 -5.917) 6.187 9.901 ( 5.783 0.000 -2.326) 6.234 9.946 ( -0.159 0.000 6.377) 6.379 9.982 ( 3.625 0.000 0.379) 3.645 10.095 ( 3.633 0.000 -2.034) 4.164 10.216 ( 0.085 0.000 -0.440) 0.448 10.286 ( -7.773 0.000 -0.865) 7.821 10.313 ( 3.977 0.000 -1.138) 4.137 10.466 ( -1.435 0.000 -1.228) 1.889 10.476 ( 3.846 0.000 -3.674) 5.318 10.601 ( -0.168 0.000 0.031) 0.171 10.694 ( -3.011 0.000 3.636) 4.721 10.900 ( -4.506 0.000 -3.232) 5.545 10.921 ( 2.806 0.000 -4.148) 5.008 11.005 ( 1.199 0.000 0.705) 1.391 11.160 ( -1.003 0.000 2.683) 2.865 11.183 ( -4.619 0.000 -2.403) 5.207 11.239 ( -0.063 0.000 -1.101) 1.103 11.325 ( -1.269 0.000 -0.597) 1.402 11.443 ( -2.689 0.000 2.713) 3.820 11.476 ( -1.046 0.000 3.092) 3.265 11.670 ( 2.578 0.000 0.168) 2.584 11.882 ( -1.306 0.000 -0.850) 1.558 12.109 ( 3.392 0.000 -3.180) 4.649 12.113 ( 6.629 0.000 -4.913) 8.251 12.203 ( 5.463 0.000 -2.066) 5.840 12.258 ( 2.744 0.000 1.495) 3.125 12.291 ( 1.420 0.000 -0.803) 1.631 12.436 ( -0.718 0.000 2.300) 2.409 12.551 ( -6.123 0.000 1.855) 6.398 12.572 ( -3.762 0.000 0.556) 3.803 12.803 ( -0.775 0.000 6.633) 6.678 12.838 ( -0.834 0.000 -4.699) 4.773 12.922 ( -6.388 0.000 -0.664) 6.422 13.078 ( 1.863 0.000 -1.694) 2.518 13.136 ( -0.416 0.000 3.503) 3.528 13.221 ( -0.781 0.000 1.505) 1.695 14.496 ( 0.815 0.000 4.386) 4.462 14.763 ( 3.395 0.000 -4.109) 5.330 15.191 ( -1.170 0.000 0.304) 1.209 15.532 ( -15.866 0.000 -5.838) 16.906 15.576 ( -3.820 0.000 1.771) 4.210 15.660 ( 2.542 0.000 -5.182) 5.772 15.839 ( 0.149 0.000 3.746) 3.749 15.952 ( -5.084 0.000 0.730) 5.136 16.541 ( -4.395 0.000 -0.201) 4.399 16.704 ( -9.973 0.000 -6.076) 11.678 16.837 ( 1.332 0.000 -0.388) 1.387 16.883 ( -3.087 0.000 1.122) 3.285 17.086 ( 1.444 0.000 1.633) 2.179 17.202 ( 3.510 0.000 -3.466) 4.933 17.301 ( -3.199 0.000 6.792) 7.508 17.719 ( 11.778 0.000 -11.763) 16.646 18.001 ( 0.586 0.000 -4.797) 4.833 18.073 ( -0.747 0.000 -3.229) 3.314 18.230 ( -0.992 0.000 1.462) 1.767 18.238 ( -2.247 0.000 -3.606) 4.249 18.356 ( 2.416 0.000 1.502) 2.845 18.364 ( -1.019 0.000 3.652) 3.792 18.410 ( -0.080 0.000 2.280) 2.281 18.479 ( -1.836 0.000 4.614) 4.966 18.726 ( -0.322 0.000 -1.219) 1.260 18.740 ( -5.301 0.000 2.494) 5.858 18.850 ( 3.647 0.000 2.839) 4.622 18.905 ( 2.112 0.000 -1.828) 2.793 18.925 ( -1.383 0.000 0.157) 1.392 19.149 ( -0.754 0.000 -10.447) 10.474 19.875 ( 5.096 0.000 14.180) 15.068 20.164 ( 20.384 0.000 7.141) 21.598 ======================= Grid point 77 (41/54) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -0.173 1.701 8.247) 8.422 0.788 ( -3.565 4.803 10.211) 11.834 0.812 ( 1.472 -2.527 -2.030) 3.560 0.961 ( 1.108 3.006 -5.717) 6.554 1.120 ( -5.151 2.583 9.495) 11.107 1.173 ( 0.411 -2.979 1.369) 3.305 1.194 ( 0.563 -3.694 0.677) 3.797 1.264 ( 3.322 -0.219 -0.907) 3.451 1.294 ( 2.440 -0.154 -0.652) 2.531 1.309 ( 2.910 -4.937 3.684) 6.812 1.353 ( 0.507 -3.482 -2.099) 4.097 1.381 ( -5.840 -2.663 -1.944) 6.706 1.481 ( -3.753 -0.055 0.324) 3.767 1.521 ( -3.907 2.203 3.444) 5.655 1.536 ( 0.135 0.522 -0.919) 1.065 1.601 ( 3.278 -1.586 -1.963) 4.137 1.620 ( -0.613 2.527 2.610) 3.684 1.675 ( 0.989 2.771 0.703) 3.025 1.740 ( -1.149 0.627 0.889) 1.582 1.759 ( 0.578 2.166 -0.903) 2.417 1.828 ( 2.424 -0.152 -0.799) 2.557 1.871 ( 1.979 -0.949 -1.141) 2.473 1.913 ( 1.778 -0.177 -0.308) 1.813 1.970 ( 1.467 -3.227 -2.491) 4.333 2.023 ( 0.989 1.334 -0.229) 1.677 2.031 ( -3.235 -0.709 -0.592) 3.364 2.171 ( 0.749 3.497 0.230) 3.583 2.216 ( -1.869 2.196 -3.441) 4.490 2.288 ( 1.965 -1.702 0.495) 2.647 2.300 ( 1.028 -0.860 -0.411) 1.402 2.370 ( 4.204 0.198 2.346) 4.818 2.412 ( -0.130 1.207 0.195) 1.230 2.508 ( -0.659 0.363 -0.923) 1.190 2.528 ( -4.155 1.504 -2.138) 4.909 2.662 ( -5.405 -4.665 0.221) 7.143 2.679 ( 2.429 -3.607 -1.299) 4.538 2.734 ( 1.869 -0.513 5.372) 5.711 2.796 ( -0.290 -3.329 0.527) 3.383 2.848 ( 0.696 0.143 -4.430) 4.486 2.861 ( -1.253 -0.500 -3.147) 3.424 2.919 ( 1.253 1.903 3.003) 3.769 2.963 ( 0.245 -0.132 -0.999) 1.037 3.084 ( -1.491 -3.387 0.928) 3.815 3.128 ( -1.148 -2.809 -1.608) 3.435 3.283 ( 2.127 -2.181 2.423) 3.893 3.302 ( 2.236 0.071 1.969) 2.980 3.326 ( 1.589 0.882 3.083) 3.579 3.449 ( -1.669 1.138 -5.479) 5.839 3.557 ( 1.290 0.726 1.762) 2.301 3.602 ( -0.550 1.597 -0.672) 1.818 3.621 ( -4.653 2.095 -0.623) 5.141 3.640 ( 4.335 2.565 -0.788) 5.098 3.667 ( -2.047 0.959 0.862) 2.419 3.712 ( -0.487 -1.333 -2.029) 2.476 3.835 ( 1.633 3.242 2.692) 4.519 3.878 ( -3.162 3.854 -0.882) 5.062 4.012 ( 0.504 -1.827 3.592) 4.062 4.057 ( 1.518 -2.734 2.519) 4.015 4.102 ( -2.011 -0.442 -2.195) 3.009 4.159 ( -1.468 0.292 -2.879) 3.245 4.222 ( -2.206 0.691 2.701) 3.555 4.255 ( 2.247 0.630 0.714) 2.440 4.351 ( 4.609 1.497 1.486) 5.069 4.378 ( 1.626 -1.710 1.016) 2.569 4.400 ( -3.135 -0.554 -3.308) 4.591 4.474 ( -1.715 -2.293 -6.973) 7.538 4.572 ( 2.236 -8.350 3.381) 9.282 4.629 ( -2.037 -7.183 -2.573) 7.897 4.782 ( -0.242 0.147 1.807) 1.829 4.784 ( 1.380 0.735 1.268) 2.013 4.997 ( -0.295 4.041 3.819) 5.568 5.006 ( -0.974 1.178 3.098) 3.455 5.048 ( -0.420 2.714 -1.067) 2.946 5.086 ( -1.758 2.935 -0.035) 3.422 5.106 ( 1.631 1.900 -0.791) 2.626 5.146 ( 3.793 -1.145 -6.262) 7.410 5.361 ( -0.256 -1.251 2.762) 3.043 5.381 ( -0.424 0.563 1.136) 1.337 5.419 ( 1.221 -2.940 1.023) 3.344 5.472 ( 1.059 -0.752 -3.394) 3.634 5.544 ( -2.926 0.498 4.746) 5.597 5.641 ( 1.252 -1.008 -3.664) 4.002 5.768 ( 1.524 2.603 0.952) 3.163 5.781 ( -1.249 2.887 -0.774) 3.239 5.889 ( -2.225 1.712 3.044) 4.141 5.931 ( 0.935 -2.275 0.727) 2.565 5.988 ( -0.758 3.062 -1.268) 3.400 6.001 ( 1.325 -1.762 -0.021) 2.205 6.051 ( -5.230 -1.832 3.584) 6.600 6.167 ( 2.708 1.311 -5.492) 6.263 6.269 ( -0.359 -3.968 0.963) 4.099 6.312 ( -0.046 -3.570 -2.241) 4.216 6.416 ( -0.900 -3.933 4.190) 5.817 6.479 ( 1.505 -3.866 -1.553) 4.430 6.589 ( -0.532 1.370 2.606) 2.991 6.647 ( -1.783 -2.674 -1.791) 3.679 6.663 ( 2.166 1.120 -0.678) 2.531 6.715 ( -2.936 -0.115 -3.411) 4.502 6.769 ( -4.264 -0.661 2.047) 4.776 6.838 ( 4.799 0.406 -3.183) 5.773 6.953 ( -2.869 1.571 -1.462) 3.583 6.965 ( 1.393 4.538 -1.312) 4.925 7.049 ( -0.177 0.494 1.925) 1.995 7.093 ( 0.562 0.436 -1.286) 1.470 7.184 ( -2.243 -0.873 0.252) 2.420 7.203 ( 2.342 -1.357 -1.632) 3.161 7.291 ( -4.227 0.345 1.880) 4.639 7.346 ( 3.531 0.948 -1.909) 4.125 7.465 ( -0.479 3.115 -0.308) 3.167 7.479 ( 2.966 -0.019 -1.013) 3.134 7.673 ( 1.892 6.990 1.273) 7.353 7.698 ( -0.821 5.051 -1.534) 5.342 7.936 ( -1.018 2.444 3.289) 4.222 7.993 ( 1.738 3.443 -1.378) 4.096 8.081 ( -1.093 0.765 2.110) 2.496 8.139 ( 1.870 1.603 -2.251) 3.336 8.218 ( 3.769 0.601 0.959) 3.935 8.244 ( -4.859 -0.719 -2.103) 5.343 8.377 ( 1.641 0.834 0.644) 1.950 8.386 ( -0.795 -0.487 0.210) 0.956 8.517 ( -1.823 -1.731 2.960) 3.884 8.556 ( 3.597 -1.568 -2.067) 4.435 8.668 ( -1.577 -6.228 4.856) 8.053 8.776 ( -1.320 -6.512 -4.695) 8.136 8.876 ( -1.717 1.583 1.556) 2.807 8.900 ( 2.486 0.618 -0.623) 2.636 9.066 ( 3.730 -4.915 3.811) 7.252 9.136 ( -3.843 -4.022 -2.302) 6.020 9.297 ( -1.694 -3.509 2.767) 4.779 9.321 ( -0.431 -5.405 0.170) 5.425 9.443 ( -3.440 0.052 1.080) 3.606 9.473 ( 3.218 1.058 -0.875) 3.499 9.614 ( 2.313 4.553 1.439) 5.306 9.653 ( -1.434 4.193 -1.910) 4.825 9.787 ( -1.022 1.677 0.424) 2.009 9.810 ( 0.489 1.174 -2.344) 2.667 9.917 ( -1.589 0.561 1.036) 1.978 9.984 ( 2.093 1.889 -4.519) 5.326 10.067 ( 0.253 3.468 4.930) 6.033 10.146 ( -0.631 0.045 1.658) 1.774 10.161 ( 1.934 1.805 -3.557) 4.433 10.228 ( -0.651 2.192 -5.521) 5.976 10.387 ( 3.381 -3.548 6.273) 7.961 10.486 ( 0.348 -1.016 -1.753) 2.056 10.498 ( -2.617 1.864 -0.290) 3.226 10.542 ( -1.005 1.843 -2.778) 3.482 10.731 ( -0.855 0.473 0.417) 1.062 10.757 ( -1.179 -1.498 -2.910) 3.479 10.933 ( -0.606 1.091 1.296) 1.799 10.975 ( 1.396 1.923 -2.657) 3.565 11.088 ( 2.160 -2.785 1.751) 3.935 11.117 ( -2.823 -3.102 -1.174) 4.355 11.325 ( 1.181 3.780 1.524) 4.243 11.346 ( -3.178 3.619 -0.266) 4.824 11.503 ( 1.450 1.631 1.886) 2.884 11.509 ( -0.868 1.646 1.004) 2.114 11.802 ( 2.177 3.952 3.551) 5.742 11.855 ( -2.864 3.075 -1.731) 4.544 12.081 ( 0.112 -0.617 -2.951) 3.016 12.090 ( 1.063 0.343 -3.674) 3.840 12.233 ( 3.588 -2.747 2.038) 4.957 12.273 ( -1.499 -1.546 -1.766) 2.785 12.365 ( -2.286 -2.550 1.163) 3.617 12.385 ( 3.461 -1.713 -0.745) 3.933 12.523 ( 0.142 0.412 1.931) 1.980 12.549 ( -0.762 1.055 -0.563) 1.418 12.725 ( -8.374 -1.775 3.489) 9.243 12.772 ( 5.148 -3.407 -1.747) 6.416 12.962 ( 3.355 -0.053 3.522) 4.864 13.036 ( -1.535 -0.152 -3.339) 3.678 13.178 ( 1.662 -1.374 3.640) 4.231 13.242 ( -0.581 -0.061 -2.372) 2.443 14.629 ( -0.271 3.955 5.902) 7.110 14.747 ( -0.413 2.416 -5.457) 5.982 15.245 ( 4.184 0.537 1.071) 4.353 15.276 ( -4.714 -0.446 -1.781) 5.059 15.624 ( -0.427 4.854 0.055) 4.873 15.652 ( -0.101 3.025 -2.331) 3.820 15.880 ( 2.059 -0.378 1.151) 2.389 15.898 ( -1.281 -0.173 -0.611) 1.430 16.541 ( 1.052 0.761 2.030) 2.410 16.586 ( -0.929 0.074 -2.198) 2.387 16.842 ( -1.145 -0.455 0.965) 1.565 16.861 ( 1.099 -0.150 -0.710) 1.317 17.101 ( -1.187 -1.342 2.272) 2.894 17.149 ( -0.223 -2.106 -2.277) 3.110 17.484 ( -4.028 5.864 11.482) 13.507 17.729 ( 6.204 2.393 -12.148) 13.849 17.994 ( 2.110 1.376 -1.312) 2.840 18.017 ( -2.142 1.760 -3.615) 4.556 18.186 ( -0.610 -0.591 1.413) 1.649 18.204 ( -1.579 0.227 -0.314) 1.626 18.351 ( -1.645 -2.371 2.389) 3.747 18.366 ( 1.008 -2.756 0.779) 3.036 18.493 ( -3.616 -1.902 4.576) 6.135 18.504 ( 3.831 -3.031 5.742) 7.539 18.577 ( 1.106 -3.731 -1.589) 4.203 18.637 ( -0.321 -1.900 -6.631) 6.906 18.847 ( -0.206 -4.550 2.578) 5.233 18.905 ( 0.955 -3.098 -2.191) 3.912 18.977 ( -0.456 2.330 0.711) 2.478 19.044 ( -0.231 1.671 -5.284) 5.547 20.118 ( -0.261 2.018 11.691) 11.867 20.305 ( 1.294 0.002 -7.217) 7.332 ======================= Grid point 78 (42/54) ======================= q-point: ( 0.14 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 2.631 -0.285 -4.587) 5.296 0.777 ( -1.699 -0.204 3.241) 3.665 0.897 ( 4.178 3.745 -6.228) 8.383 0.949 ( 4.142 1.082 5.371) 6.868 1.125 ( -4.454 0.488 2.238) 5.009 1.164 ( -2.403 -1.722 -0.235) 2.966 1.195 ( -2.211 -1.634 0.188) 2.755 1.242 ( -3.560 -0.864 -0.315) 3.676 1.281 ( 1.324 -3.835 -1.710) 4.403 1.307 ( 3.317 -2.961 -5.616) 7.163 1.376 ( 2.944 -2.192 1.587) 4.000 1.436 ( -2.194 -0.808 1.000) 2.543 1.462 ( 2.466 -2.481 4.401) 5.622 1.498 ( -4.570 0.037 3.829) 5.962 1.536 ( 2.368 0.998 -1.665) 3.061 1.609 ( -0.635 0.988 0.439) 1.254 1.667 ( -0.788 2.778 -0.247) 2.898 1.672 ( 2.292 1.508 -3.596) 4.523 1.733 ( -1.272 -0.024 3.581) 3.800 1.745 ( 0.705 -0.664 -1.223) 1.560 1.857 ( 5.226 1.432 -4.329) 6.936 1.887 ( 3.480 1.707 -1.673) 4.221 1.910 ( -3.844 -2.023 -1.715) 4.670 1.941 ( 1.186 -1.469 -3.122) 3.649 2.000 ( 0.499 0.302 1.073) 1.221 2.035 ( -1.394 0.461 2.505) 2.904 2.132 ( -0.908 3.857 2.611) 4.746 2.241 ( -2.461 -0.037 -0.738) 2.570 2.262 ( 3.049 -0.298 -0.217) 3.071 2.315 ( -2.954 1.190 -0.965) 3.328 2.324 ( 0.742 1.115 -2.257) 2.625 2.446 ( -0.111 0.846 -3.530) 3.631 2.504 ( 0.580 -1.490 2.760) 3.190 2.598 ( 5.601 0.999 3.666) 6.768 2.631 ( -1.384 -2.747 2.857) 4.198 2.732 ( -0.092 -3.593 -2.648) 4.464 2.751 ( 4.143 -2.589 -1.775) 5.198 2.817 ( 1.450 -4.433 -0.046) 4.665 2.823 ( 0.469 0.360 3.070) 3.127 2.898 ( 2.074 1.376 -0.724) 2.592 2.933 ( 5.083 0.163 0.212) 5.090 2.981 ( 1.796 -0.238 0.574) 1.900 3.081 ( -0.881 -1.030 -0.506) 1.447 3.133 ( 0.856 -2.281 2.962) 3.835 3.252 ( -3.752 -1.132 -4.346) 5.852 3.304 ( 0.396 -0.699 -2.467) 2.595 3.344 ( 1.201 1.173 -3.421) 3.811 3.426 ( -0.981 -0.020 4.465) 4.572 3.496 ( -6.361 0.580 -1.191) 6.498 3.563 ( -2.194 0.827 -0.987) 2.544 3.609 ( -2.775 3.266 4.541) 6.244 3.662 ( 3.635 -0.068 -1.174) 3.821 3.687 ( -0.505 -0.140 0.308) 0.607 3.734 ( 2.746 -1.903 1.158) 3.536 3.841 ( -0.020 3.259 -1.550) 3.609 3.926 ( 3.982 2.320 2.679) 5.331 3.998 ( -5.111 -1.576 -2.524) 5.914 4.035 ( -1.534 -3.972 -0.366) 4.273 4.069 ( -1.211 -1.228 3.277) 3.703 4.149 ( -2.406 0.289 0.327) 2.445 4.204 ( -2.989 1.702 -0.509) 3.477 4.238 ( -2.084 1.260 0.491) 2.484 4.343 ( -0.024 0.823 -2.543) 2.673 4.387 ( 2.362 0.954 -2.902) 3.862 4.454 ( 4.584 -1.420 1.206) 4.948 4.482 ( 3.016 -3.100 4.099) 5.959 4.537 ( -2.940 -3.747 -0.738) 4.820 4.657 ( 2.058 -8.329 1.054) 8.644 4.755 ( -3.522 2.030 -2.249) 4.645 4.790 ( 0.287 -0.246 -0.508) 0.633 4.952 ( -4.233 2.161 -0.594) 4.789 5.021 ( -1.355 4.754 -0.185) 4.947 5.043 ( -2.397 3.379 4.127) 5.848 5.088 ( 0.456 1.254 1.652) 2.124 5.127 ( 3.273 -0.209 -5.730) 6.602 5.146 ( 3.132 0.991 -1.035) 3.444 5.306 ( -3.764 0.072 1.002) 3.896 5.377 ( -3.164 -3.871 -1.400) 5.191 5.422 ( 0.616 -1.521 -1.760) 2.406 5.454 ( -0.533 0.437 0.170) 0.710 5.602 ( 0.489 -0.628 4.349) 4.421 5.611 ( 0.304 1.109 -2.495) 2.747 5.728 ( -2.742 0.779 -0.824) 2.967 5.774 ( -2.532 1.310 0.272) 2.864 5.884 ( -3.753 -1.848 0.422) 4.205 5.927 ( -0.167 0.031 0.459) 0.490 5.975 ( -1.200 -2.571 -0.554) 2.891 5.999 ( -0.025 4.233 2.059) 4.707 6.062 ( -0.193 1.893 2.024) 2.778 6.146 ( 0.352 2.630 -0.568) 2.713 6.305 ( 1.487 -3.649 1.275) 4.142 6.308 ( 1.495 -3.833 -0.052) 4.115 6.404 ( -4.173 -1.310 -1.856) 4.751 6.425 ( -3.247 -4.141 1.533) 5.481 6.613 ( -1.428 -0.051 0.215) 1.445 6.625 ( 0.597 -3.663 -3.803) 5.314 6.648 ( 1.053 3.464 3.619) 5.119 6.691 ( -3.328 -0.318 3.368) 4.746 6.757 ( 2.732 -2.220 1.208) 3.722 6.898 ( -4.247 0.854 1.489) 4.581 6.926 ( 2.790 -0.456 0.828) 2.946 6.957 ( -0.617 3.001 -0.440) 3.095 7.062 ( 0.041 -0.797 -0.427) 0.905 7.127 ( 2.823 0.893 -1.004) 3.127 7.175 ( 1.886 -0.848 3.244) 3.847 7.235 ( 2.564 1.007 -2.004) 3.406 7.259 ( -3.641 2.361 2.632) 5.076 7.365 ( 1.666 0.730 -1.127) 2.140 7.421 ( -1.733 -0.556 -0.357) 1.855 7.498 ( 2.429 4.233 -2.038) 5.288 7.644 ( -3.209 6.169 -1.582) 7.131 7.733 ( 4.763 2.711 -0.712) 5.527 7.913 ( -5.395 4.368 0.473) 6.957 7.966 ( -1.008 1.202 -1.277) 2.023 8.079 ( -2.918 3.004 -0.094) 4.189 8.148 ( 3.295 -0.834 -0.273) 3.409 8.163 ( -2.298 1.439 -1.029) 2.900 8.302 ( 0.564 0.592 1.358) 1.585 8.373 ( 1.174 -3.475 -1.989) 4.173 8.415 ( 4.068 -0.995 -0.456) 4.213 8.519 ( 1.960 0.056 0.611) 2.054 8.601 ( 2.206 -6.245 -4.214) 7.850 8.681 ( 0.096 -5.718 3.107) 6.508 8.772 ( -1.073 -6.977 0.048) 7.059 8.856 ( -0.364 0.131 -0.048) 0.390 8.913 ( 2.172 1.750 -0.079) 2.790 9.009 ( -4.762 -2.966 -2.071) 5.980 9.158 ( -0.071 -1.339 1.942) 2.360 9.297 ( -1.361 -6.404 0.817) 6.598 9.335 ( 0.968 -3.468 1.154) 3.781 9.396 ( -3.525 2.017 1.553) 4.348 9.538 ( 5.617 0.131 -0.456) 5.637 9.598 ( -0.992 3.359 -2.081) 4.074 9.682 ( 3.091 5.054 0.417) 5.940 9.760 ( -2.211 1.923 1.591) 3.334 9.824 ( 0.939 -0.705 0.627) 1.331 9.923 ( -1.884 3.424 2.688) 4.743 9.942 ( -0.343 0.411 -2.086) 2.154 10.053 ( -2.885 2.790 -1.022) 4.141 10.118 ( -0.188 -0.083 -1.224) 1.241 10.191 ( 2.918 0.001 -2.314) 3.724 10.249 ( 1.130 1.590 1.858) 2.694 10.354 ( -5.294 0.416 0.647) 5.349 10.430 ( 0.720 -0.148 -3.170) 3.254 10.496 ( -1.389 0.717 2.909) 3.302 10.599 ( 2.578 1.658 0.012) 3.065 10.759 ( 2.376 -1.464 0.379) 2.817 10.795 ( 6.028 -0.996 3.873) 7.234 10.924 ( -0.075 3.478 -0.206) 3.485 10.995 ( 2.085 0.479 0.032) 2.140 11.064 ( -1.021 -4.219 -1.383) 4.555 11.142 ( 1.976 -1.623 1.934) 3.206 11.313 ( -1.014 2.964 -0.412) 3.160 11.375 ( 0.862 4.431 2.143) 4.997 11.487 ( -0.627 1.599 -0.486) 1.785 11.537 ( 1.536 1.172 -0.925) 2.142 11.740 ( -7.493 3.482 -1.966) 8.494 11.862 ( -0.728 2.224 2.827) 3.670 12.057 ( -1.280 1.637 0.875) 2.255 12.065 ( -0.876 -0.904 -0.194) 1.274 12.153 ( -6.621 -3.141 -2.242) 7.664 12.299 ( 0.493 0.217 -0.772) 0.942 12.312 ( -3.120 0.711 -0.640) 3.264 12.445 ( 3.108 -4.143 -0.878) 5.253 12.541 ( 3.676 -0.511 -0.180) 3.716 12.595 ( 2.762 1.019 1.121) 3.151 12.707 ( 1.113 -1.626 3.695) 4.188 12.869 ( 8.142 -3.842 -0.378) 9.011 12.932 ( -3.582 0.171 -4.841) 6.024 13.041 ( 1.084 0.458 1.691) 2.060 13.190 ( 0.397 -1.392 -3.711) 3.983 13.249 ( 1.704 0.309 1.955) 2.611 14.631 ( -4.125 2.750 -4.634) 6.787 14.687 ( -3.233 2.412 5.301) 6.661 15.244 ( 2.308 1.764 -1.750) 3.392 15.404 ( 12.571 -2.098 2.873) 13.065 15.612 ( -1.980 3.332 1.531) 4.168 15.658 ( 2.897 3.057 -0.516) 4.243 15.892 ( 2.901 0.242 -1.210) 3.153 15.954 ( 5.323 -0.540 0.131) 5.352 16.579 ( 4.165 1.092 -2.332) 4.897 16.633 ( 6.424 0.852 2.751) 7.040 16.822 ( -1.459 -0.062 0.428) 1.522 16.894 ( 2.960 -0.828 -0.504) 3.115 17.091 ( -4.487 -1.792 2.456) 5.420 17.102 ( -2.931 -1.188 -0.450) 3.194 17.527 ( -10.019 4.445 8.738) 14.018 17.586 ( -2.000 2.861 -10.996) 11.536 17.959 ( -0.751 2.146 0.957) 2.467 18.025 ( 1.027 0.951 1.409) 1.986 18.192 ( 0.555 -2.740 0.287) 2.810 18.226 ( 0.839 3.233 1.981) 3.884 18.328 ( -1.502 -4.481 -0.873) 4.807 18.396 ( 0.518 0.486 0.091) 0.716 18.473 ( -3.101 -4.224 -3.009) 6.042 18.534 ( -0.701 -1.040 -0.846) 1.513 18.602 ( 3.188 -2.550 -0.774) 4.155 18.635 ( 3.952 -4.281 3.006) 6.556 18.845 ( -2.221 -3.798 -1.525) 4.656 18.881 ( -0.462 -3.534 0.564) 3.609 19.023 ( 3.888 3.236 -1.470) 5.267 19.040 ( 3.149 1.808 3.745) 5.216 20.124 ( -7.786 1.103 -8.802) 11.803 20.171 ( -9.871 0.486 4.839) 11.004 ======================= Grid point 79 (43/54) ======================= q-point: ( 0.29 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 3.581 3.431 -5.041) 7.072 0.811 ( 7.317 5.399 -1.569) 9.228 0.916 ( 4.072 -4.868 -1.187) 6.457 1.019 ( -1.173 -7.931 -2.145) 8.300 1.101 ( -3.170 0.450 3.663) 4.865 1.110 ( -1.526 2.781 0.076) 3.173 1.187 ( 1.797 -2.662 0.751) 3.298 1.240 ( -1.935 -1.130 2.580) 3.418 1.267 ( 0.451 -2.595 -1.943) 3.273 1.310 ( 4.221 -1.645 -3.267) 5.585 1.374 ( -5.960 -0.209 2.055) 6.308 1.450 ( 4.121 -3.118 -1.371) 5.346 1.455 ( -3.282 0.400 0.515) 3.346 1.515 ( -3.541 0.475 -2.541) 4.385 1.522 ( -1.871 -2.460 1.752) 3.553 1.575 ( 1.849 0.492 -0.732) 2.049 1.654 ( -0.565 1.893 -0.650) 2.080 1.683 ( 3.101 1.801 -1.384) 3.844 1.720 ( -0.525 -2.675 -1.205) 2.980 1.781 ( -3.479 -2.750 -2.283) 4.988 1.788 ( 2.134 0.037 0.530) 2.199 1.873 ( 6.037 5.254 -5.784) 9.875 1.939 ( 5.195 -3.152 -2.402) 6.534 1.995 ( 5.033 4.338 2.817) 7.217 2.022 ( 0.305 0.849 1.204) 1.505 2.070 ( 0.185 -0.798 2.827) 2.943 2.165 ( -1.139 2.748 0.993) 3.136 2.190 ( -1.764 -0.191 -0.004) 1.775 2.284 ( -1.616 1.613 2.714) 3.547 2.303 ( 2.766 1.757 -1.321) 3.533 2.318 ( -0.601 1.088 0.285) 1.276 2.403 ( -0.222 2.039 -0.959) 2.265 2.516 ( -1.754 1.729 0.793) 2.588 2.600 ( -2.433 -0.846 -4.066) 4.813 2.678 ( 1.065 -2.155 2.146) 3.222 2.733 ( -0.988 -1.660 2.624) 3.259 2.751 ( 2.358 -3.659 -4.885) 6.543 2.803 ( -4.051 -3.190 -0.622) 5.194 2.860 ( 3.347 -2.291 0.828) 4.139 2.931 ( -0.842 1.022 -0.348) 1.369 2.985 ( -2.989 0.474 0.617) 3.089 3.071 ( 2.231 -2.473 -2.345) 4.074 3.097 ( 7.496 0.014 0.588) 7.519 3.127 ( 3.445 -0.181 3.074) 4.621 3.249 ( 3.207 -0.204 1.658) 3.616 3.290 ( 3.121 -0.421 -5.205) 6.083 3.326 ( 2.910 -0.702 -2.720) 4.044 3.377 ( -7.083 0.367 2.690) 7.585 3.433 ( -3.997 -0.923 -0.060) 4.103 3.544 ( 0.366 -0.166 -0.355) 0.537 3.606 ( -3.032 -0.547 1.661) 3.500 3.679 ( -3.385 -3.778 2.459) 5.637 3.718 ( 1.795 -1.236 0.926) 2.368 3.747 ( 1.077 -0.780 0.067) 1.332 3.820 ( -0.272 1.920 0.169) 1.947 3.924 ( 2.463 -0.404 -4.988) 5.578 3.975 ( -2.747 -1.959 -3.241) 4.679 4.006 ( -2.087 0.423 2.221) 3.077 4.079 ( -4.602 -3.394 -1.159) 5.834 4.113 ( -1.361 -1.438 2.652) 3.310 4.162 ( 0.776 5.745 1.422) 5.969 4.206 ( -0.993 2.170 -0.798) 2.517 4.343 ( 0.781 1.439 1.801) 2.433 4.381 ( -3.451 0.024 -1.460) 3.747 4.480 ( 1.453 0.621 2.070) 2.604 4.508 ( -0.485 -4.503 1.353) 4.727 4.619 ( 3.069 0.243 3.361) 4.558 4.658 ( -0.412 -5.688 -1.985) 6.038 4.672 ( -2.948 2.565 -0.126) 3.909 4.788 ( 1.689 0.448 -3.371) 3.797 4.881 ( -1.574 0.585 -3.161) 3.579 5.019 ( -1.849 6.086 1.887) 6.635 5.042 ( 0.796 -0.570 -2.163) 2.374 5.088 ( -2.052 -0.624 1.580) 2.664 5.121 ( -0.848 3.866 3.881) 5.543 5.181 ( 4.997 0.675 -1.694) 5.320 5.307 ( 1.834 -2.524 -2.395) 3.933 5.322 ( -0.614 -1.616 -0.213) 1.742 5.417 ( -1.390 -0.310 0.984) 1.731 5.439 ( 1.642 -2.466 -0.496) 3.004 5.568 ( -3.109 -0.624 -0.591) 3.226 5.619 ( -2.708 0.128 -0.841) 2.839 5.688 ( -2.108 -0.191 -2.648) 3.390 5.716 ( -2.411 0.259 0.882) 2.580 5.817 ( -4.761 -0.958 1.235) 5.011 5.938 ( 1.731 1.289 -0.713) 2.273 5.982 ( 0.484 -3.408 0.413) 3.467 6.031 ( -0.799 4.296 2.787) 5.183 6.097 ( 2.449 1.951 1.476) 3.461 6.147 ( -1.815 4.861 1.944) 5.541 6.279 ( -3.150 0.438 0.330) 3.197 6.360 ( -0.054 2.395 -0.058) 2.397 6.368 ( -1.238 -6.358 3.305) 7.272 6.393 ( -0.232 -4.522 -1.047) 4.647 6.589 ( -2.341 1.245 1.463) 3.028 6.618 ( 4.073 -2.584 -2.826) 5.590 6.687 ( -1.943 -1.938 4.580) 5.339 6.752 ( 1.250 1.351 4.273) 4.652 6.798 ( 0.693 0.964 -0.825) 1.446 6.864 ( -3.815 -0.420 4.391) 5.832 6.930 ( -0.810 -1.534 -0.752) 1.891 6.951 ( -2.502 2.336 2.275) 4.110 7.049 ( -0.919 -1.255 -0.913) 1.803 7.102 ( -2.269 5.636 -1.639) 6.293 7.177 ( -4.498 -2.902 1.772) 5.638 7.253 ( 2.829 0.046 0.725) 2.921 7.324 ( -1.707 -3.473 1.782) 4.261 7.383 ( 5.040 5.982 2.912) 8.346 7.459 ( 3.209 3.723 2.926) 5.720 7.529 ( 5.448 2.579 -1.617) 6.241 7.573 ( -4.820 2.879 1.438) 5.796 7.782 ( 5.222 0.951 -4.123) 6.721 7.835 ( -3.473 3.851 -0.755) 5.241 7.937 ( -1.284 4.068 -0.508) 4.296 8.004 ( -4.329 0.877 -1.287) 4.601 8.107 ( -2.295 0.558 -2.296) 3.294 8.228 ( 5.643 -4.536 0.331) 7.248 8.267 ( -2.303 -1.049 -2.896) 3.846 8.349 ( 0.283 -2.506 -2.657) 3.663 8.439 ( 1.645 -0.304 -3.362) 3.755 8.519 ( -0.257 -6.837 -6.375) 9.352 8.588 ( -1.254 -5.693 2.293) 6.264 8.667 ( -4.642 -5.667 -1.724) 7.525 8.768 ( 4.046 -7.272 0.598) 8.343 8.833 ( 0.821 -0.829 -3.032) 3.249 8.933 ( -1.296 -0.367 -2.164) 2.549 9.025 ( 4.505 3.983 4.414) 7.459 9.171 ( -0.379 -0.336 2.763) 2.809 9.282 ( -1.115 -6.315 -0.061) 6.413 9.366 ( 2.500 0.766 -0.268) 2.629 9.410 ( 0.987 0.835 2.857) 3.136 9.571 ( -0.892 2.453 0.551) 2.668 9.618 ( 4.866 -1.699 -0.725) 5.205 9.713 ( 1.040 0.850 0.087) 1.346 9.770 ( -1.501 4.501 2.090) 5.184 9.830 ( -2.306 -0.257 1.997) 3.062 9.876 ( 0.133 1.168 -4.697) 4.842 9.920 ( -5.071 0.959 -0.861) 5.232 9.990 ( -0.262 -0.002 -2.422) 2.436 10.143 ( 2.154 3.668 2.296) 4.833 10.180 ( -1.674 -3.268 -0.256) 3.681 10.205 ( -1.456 0.073 -0.928) 1.728 10.357 ( -2.772 -2.396 4.325) 5.668 10.442 ( 0.011 2.688 -0.060) 2.688 10.542 ( 4.091 3.296 3.567) 6.350 10.634 ( 2.077 2.896 0.545) 3.605 10.802 ( 1.692 0.145 1.353) 2.171 10.865 ( -1.172 2.399 0.958) 2.837 10.980 ( -0.565 0.461 -0.709) 1.017 10.999 ( 5.237 3.884 1.917) 6.796 11.101 ( 5.183 -4.398 -0.635) 6.827 11.214 ( 2.318 -1.514 3.314) 4.319 11.283 ( -1.451 2.771 -1.619) 3.522 11.370 ( -1.810 2.009 0.648) 2.780 11.485 ( -0.264 0.930 -2.718) 2.885 11.534 ( 0.472 1.326 -3.198) 3.494 11.618 ( -5.212 2.239 2.176) 6.076 11.887 ( -1.914 0.533 3.826) 4.312 11.995 ( -8.081 -1.942 -2.858) 8.789 12.046 ( -3.351 -2.751 1.542) 4.602 12.078 ( -0.524 2.875 2.598) 3.910 12.270 ( -0.150 1.828 0.387) 1.874 12.295 ( -0.131 1.895 0.487) 1.961 12.443 ( 0.016 -1.545 -1.452) 2.121 12.606 ( 5.388 -1.680 -1.909) 5.958 12.659 ( 3.243 -0.993 0.391) 3.414 12.778 ( -0.611 -1.638 -2.649) 3.173 12.852 ( 3.475 0.663 1.765) 3.953 12.963 ( 3.160 -4.943 -1.261) 6.001 13.037 ( 0.727 -1.492 -2.442) 2.953 13.197 ( 3.504 2.625 0.781) 4.447 13.277 ( 0.393 2.360 -0.032) 2.392 14.523 ( -2.228 1.697 -2.533) 3.776 14.664 ( -6.346 -0.971 1.710) 6.643 15.290 ( 4.036 5.225 1.637) 6.802 15.579 ( -0.906 -0.631 1.306) 1.710 15.638 ( 7.025 -0.773 -0.272) 7.073 15.750 ( 9.199 0.414 2.272) 9.485 15.925 ( 2.990 3.244 -2.334) 4.991 16.033 ( 5.078 -0.780 -0.588) 5.171 16.635 ( 5.802 1.429 -0.594) 6.005 16.796 ( 5.136 -0.398 3.713) 6.350 16.819 ( 0.403 -0.048 0.382) 0.557 16.921 ( 1.156 -0.331 -0.605) 1.346 17.045 ( -5.541 -1.039 2.139) 6.029 17.092 ( 1.626 -2.659 5.073) 5.954 17.356 ( -5.143 1.685 -7.682) 9.397 17.491 ( -12.319 2.347 6.663) 14.201 18.005 ( 1.342 2.046 3.331) 4.133 18.069 ( 0.938 -0.234 2.671) 2.841 18.196 ( -0.222 -4.004 -0.931) 4.117 18.235 ( -1.430 -2.638 -1.346) 3.289 18.303 ( 0.622 0.993 -0.210) 1.190 18.370 ( -1.270 1.234 -2.213) 2.834 18.425 ( 0.770 0.992 -0.169) 1.267 18.508 ( -0.143 0.052 -2.290) 2.295 18.635 ( 2.708 -4.578 -0.795) 5.378 18.738 ( 1.925 -3.862 4.543) 6.266 18.798 ( -2.058 -4.835 -0.365) 5.268 18.894 ( 0.835 -1.993 1.271) 2.507 19.071 ( 4.803 5.216 -1.855) 7.329 19.160 ( 3.266 2.753 5.640) 7.075 19.845 ( -8.791 0.377 -11.843) 14.754 19.971 ( -15.067 0.878 -4.447) 15.734 ======================= Grid point 80 (44/54) ======================= q-point: ( 0.43 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 5.694 0.106 0.845) 5.757 0.916 ( 4.481 3.611 -0.966) 5.835 0.947 ( 2.034 -3.009 -3.060) 4.749 0.993 ( 1.085 -8.297 2.199) 8.652 1.031 ( -4.185 0.890 0.627) 4.324 1.126 ( -3.745 -0.035 3.928) 5.427 1.204 ( -3.361 -7.016 -1.963) 8.023 1.241 ( 0.074 -1.622 3.142) 3.537 1.264 ( 5.341 0.085 -5.890) 7.951 1.311 ( -0.034 -0.345 -1.145) 1.197 1.326 ( -1.837 0.489 1.705) 2.553 1.403 ( -2.072 -2.470 -1.120) 3.413 1.437 ( -0.664 0.021 -1.293) 1.454 1.462 ( -0.108 -2.273 -1.749) 2.870 1.552 ( -1.943 0.023 4.426) 4.834 1.586 ( -0.674 -1.211 -0.437) 1.453 1.618 ( 0.992 -0.429 -1.774) 2.077 1.693 ( -0.480 -1.010 -2.017) 2.307 1.713 ( 3.045 0.642 -1.917) 3.655 1.732 ( -0.733 -2.701 -1.390) 3.125 1.827 ( -0.518 1.437 2.969) 3.339 1.907 ( 7.484 8.081 -4.027) 11.728 1.992 ( 2.024 -1.782 -0.673) 2.779 2.032 ( 1.854 0.826 -1.633) 2.605 2.076 ( 0.479 0.842 1.319) 1.637 2.096 ( -1.668 1.487 1.528) 2.707 2.164 ( -0.179 2.765 2.347) 3.631 2.194 ( 2.070 0.743 0.607) 2.281 2.240 ( -1.882 -1.901 -2.096) 3.399 2.318 ( -3.078 4.410 2.333) 5.862 2.362 ( 3.119 1.122 0.068) 3.315 2.413 ( 2.923 1.218 1.179) 3.379 2.484 ( -2.657 1.366 -1.628) 3.402 2.516 ( -1.266 -0.839 -2.913) 3.285 2.659 ( -5.180 -1.633 0.496) 5.454 2.681 ( 0.435 -0.682 -4.774) 4.842 2.758 ( -0.842 -0.742 2.654) 2.882 2.777 ( 1.151 -3.770 -0.452) 3.967 2.876 ( -2.587 2.257 0.800) 3.525 2.935 ( -0.593 1.918 -1.700) 2.630 2.952 ( 5.360 -2.049 1.932) 6.055 3.113 ( 0.714 -3.718 1.850) 4.213 3.169 ( -1.353 -0.791 -1.660) 2.284 3.180 ( 4.130 -1.916 -2.494) 5.191 3.256 ( 0.819 -0.163 0.460) 0.953 3.290 ( 0.230 -1.722 -1.335) 2.191 3.332 ( 0.172 -0.256 -1.902) 1.927 3.344 ( -2.307 -1.994 -0.187) 3.055 3.450 ( 5.594 1.854 3.497) 6.852 3.522 ( -0.685 -0.367 -0.948) 1.226 3.564 ( -1.676 1.239 -1.902) 2.822 3.665 ( -4.097 -3.237 1.754) 5.508 3.761 ( -1.125 2.157 4.105) 4.772 3.780 ( -0.933 -1.968 2.516) 3.328 3.826 ( -1.418 -1.025 -2.876) 3.367 3.873 ( 3.679 -0.107 -1.427) 3.947 3.921 ( 3.045 -0.149 -2.955) 4.246 3.943 ( -4.582 2.691 -0.486) 5.336 3.987 ( -2.504 -4.243 -3.454) 6.017 4.112 ( -3.279 3.525 -3.989) 6.252 4.185 ( 2.635 0.378 3.449) 4.357 4.258 ( 2.872 1.687 5.768) 6.661 4.332 ( -1.780 -3.603 0.372) 4.036 4.413 ( 3.720 0.785 2.130) 4.358 4.488 ( -3.252 -3.137 -0.653) 4.565 4.523 ( -0.702 0.408 -1.940) 2.103 4.595 ( -3.398 2.255 2.839) 4.969 4.652 ( -0.033 0.108 1.496) 1.501 4.693 ( 0.074 -2.118 -0.544) 2.188 4.733 ( -0.390 2.123 -3.635) 4.227 4.883 ( 2.840 -0.422 2.488) 3.799 4.975 ( -1.541 2.641 0.423) 3.087 5.064 ( -1.857 -2.267 0.282) 2.944 5.088 ( 3.005 -0.944 -1.883) 3.669 5.149 ( -1.839 1.028 0.515) 2.169 5.221 ( 3.203 -1.649 -3.865) 5.283 5.292 ( 3.358 1.317 -0.396) 3.629 5.371 ( 3.562 -2.527 0.470) 4.393 5.422 ( -1.214 -0.325 2.209) 2.542 5.452 ( 2.676 -0.342 -0.388) 2.726 5.489 ( -6.390 -2.260 -1.762) 7.004 5.562 ( -4.790 0.838 -1.208) 5.010 5.634 ( 3.203 -2.135 1.407) 4.098 5.717 ( -2.358 0.204 0.239) 2.379 5.791 ( -1.316 1.622 2.899) 3.573 5.932 ( -2.120 -0.397 -2.403) 3.229 5.984 ( 0.671 -0.827 1.969) 2.239 6.047 ( 0.173 1.378 -1.077) 1.758 6.139 ( -1.535 3.731 2.786) 4.902 6.166 ( 2.036 3.836 1.150) 4.493 6.252 ( -2.714 -0.639 2.236) 3.574 6.324 ( -1.993 0.911 -1.783) 2.825 6.388 ( -2.654 -0.675 2.456) 3.678 6.401 ( 3.016 -2.305 -1.245) 3.995 6.601 ( 0.412 -0.609 3.309) 3.390 6.659 ( 2.155 -2.750 0.022) 3.494 6.723 ( -2.555 -0.575 5.733) 6.303 6.768 ( -1.418 0.061 -0.038) 1.420 6.807 ( 2.183 1.836 -0.557) 2.906 6.861 ( -2.711 -2.548 -1.694) 4.088 6.917 ( -3.803 0.929 3.994) 5.593 6.942 ( -0.357 -0.428 0.548) 0.781 7.022 ( -0.689 4.098 1.184) 4.321 7.075 ( 2.180 7.740 -2.377) 8.385 7.164 ( -0.315 -3.145 3.464) 4.689 7.305 ( -0.118 -5.002 -0.432) 5.022 7.333 ( 0.662 -2.823 4.428) 5.293 7.467 ( 2.136 3.586 0.868) 4.263 7.525 ( -2.418 -0.809 2.594) 3.638 7.583 ( 1.047 6.180 4.388) 7.651 7.601 ( 1.077 0.886 1.352) 1.943 7.772 ( 2.348 -1.771 -2.857) 4.101 7.788 ( 1.548 1.440 -4.106) 4.618 7.932 ( 1.979 4.863 -1.831) 5.561 7.946 ( -2.974 1.922 2.006) 4.069 8.030 ( -0.459 -0.652 -4.754) 4.821 8.180 ( -0.653 -1.366 -3.932) 4.213 8.297 ( 3.705 -4.997 -2.457) 6.688 8.316 ( -3.454 -0.992 0.596) 3.642 8.387 ( -1.272 -1.715 -3.824) 4.380 8.432 ( 3.095 0.209 -6.557) 7.254 8.474 ( -5.903 -2.077 -4.917) 7.959 8.661 ( -0.875 -5.957 3.694) 7.063 8.791 ( 2.670 -7.359 -4.438) 8.999 8.842 ( 0.293 -3.129 1.240) 3.378 8.897 ( 0.692 0.289 -2.254) 2.375 9.133 ( 1.131 0.661 5.162) 5.325 9.233 ( 1.409 -1.302 3.376) 3.883 9.267 ( -1.013 -7.847 0.259) 7.916 9.381 ( 0.033 2.022 -1.201) 2.352 9.479 ( 2.767 1.595 1.065) 3.366 9.599 ( -0.162 1.989 4.464) 4.890 9.619 ( -1.173 -4.278 -4.098) 6.039 9.707 ( -0.730 0.832 -0.049) 1.108 9.751 ( -0.158 5.413 -0.739) 5.466 9.778 ( -5.114 0.230 -0.590) 5.153 9.835 ( 0.631 -0.777 0.056) 1.002 9.907 ( 0.190 3.223 0.484) 3.265 9.967 ( 3.159 0.267 -1.038) 3.335 10.123 ( -2.869 5.090 -1.593) 6.056 10.205 ( 2.064 -2.401 1.390) 3.457 10.244 ( 3.075 -5.684 1.919) 6.742 10.359 ( -2.475 -3.154 1.567) 4.305 10.424 ( -2.472 1.821 -0.069) 3.071 10.644 ( 2.302 4.949 2.267) 5.910 10.674 ( 2.039 4.327 0.214) 4.788 10.837 ( 0.934 1.654 1.105) 2.197 10.872 ( -1.936 -0.319 3.926) 4.389 11.000 ( 2.611 3.916 -0.204) 4.711 11.048 ( 0.416 2.452 -0.667) 2.575 11.155 ( 0.633 3.477 1.176) 3.725 11.214 ( -0.828 1.213 -2.654) 3.033 11.304 ( 1.201 -1.244 3.378) 3.795 11.355 ( -1.598 -0.126 0.923) 1.850 11.443 ( 0.531 1.169 -1.890) 2.285 11.475 ( 0.012 0.773 -3.089) 3.184 11.616 ( -0.169 -0.358 1.326) 1.384 11.797 ( -9.296 -3.416 -3.440) 10.484 11.929 ( 1.726 0.460 1.582) 2.386 12.009 ( -2.982 -2.459 0.099) 3.867 12.139 ( 0.903 4.716 4.590) 6.643 12.257 ( -0.036 3.310 -1.709) 3.726 12.355 ( 1.118 -1.047 4.118) 4.394 12.429 ( 0.388 -0.902 -0.799) 1.265 12.611 ( -0.911 -0.541 -2.319) 2.549 12.657 ( 0.839 -0.411 -3.395) 3.521 12.784 ( 5.274 -1.667 0.031) 5.532 12.895 ( -5.697 -4.597 0.403) 7.332 12.978 ( 4.551 -0.647 0.503) 4.624 13.042 ( 2.328 -1.185 -1.623) 3.076 13.257 ( 0.575 2.362 0.825) 2.567 13.279 ( 1.220 2.935 -0.108) 3.180 14.503 ( 1.948 0.816 -0.252) 2.127 14.576 ( -5.668 0.131 -0.060) 5.670 15.389 ( 3.319 3.797 3.434) 6.101 15.531 ( -3.357 0.067 -1.572) 3.707 15.724 ( 4.028 0.468 0.673) 4.111 15.885 ( 0.717 5.242 -4.412) 6.889 15.935 ( 7.227 -0.240 1.864) 7.467 16.064 ( -0.480 0.217 -1.071) 1.193 16.724 ( 4.617 0.080 1.206) 4.773 16.822 ( -2.154 0.348 0.137) 2.186 16.839 ( 1.613 0.470 -0.333) 1.713 16.894 ( -2.543 2.143 -0.964) 3.463 17.031 ( -0.703 -1.570 3.621) 4.009 17.183 ( -3.187 2.540 -2.592) 4.830 17.317 ( -2.739 -9.788 10.964) 14.950 17.416 ( -0.068 -5.790 1.913) 6.098 18.063 ( -0.355 1.368 3.500) 3.775 18.112 ( 0.502 1.171 1.303) 1.823 18.144 ( -0.592 -2.930 -3.063) 4.279 18.199 ( 0.270 -1.496 -3.405) 3.729 18.319 ( -0.979 1.152 2.441) 2.871 18.345 ( 1.598 0.215 -1.203) 2.012 18.444 ( 0.841 1.636 0.515) 1.910 18.479 ( -0.344 2.264 -1.257) 2.612 18.656 ( 0.080 -5.091 0.116) 5.093 18.753 ( -1.849 -3.672 -2.595) 4.861 18.818 ( 0.459 -1.289 4.935) 5.121 18.930 ( 1.953 -1.236 -0.389) 2.344 19.131 ( 3.565 5.058 2.879) 6.825 19.279 ( 0.505 2.043 6.631) 6.957 19.563 ( -4.998 1.031 -11.927) 12.973 19.691 ( -4.983 1.848 -10.783) 12.021 ======================= Grid point 81 (45/54) ======================= q-point: (-0.43 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -9.226 2.317 -0.803) 9.547 0.866 ( -1.031 0.358 0.552) 1.223 0.903 ( -8.653 -2.671 3.631) 9.756 1.025 ( 5.191 -3.599 -0.814) 6.369 1.052 ( -3.375 -4.339 -0.468) 5.518 1.134 ( -1.482 -2.402 4.978) 5.722 1.183 ( 4.599 -3.953 -0.883) 6.128 1.227 ( 2.226 -0.631 -5.954) 6.388 1.275 ( -1.529 -1.309 2.047) 2.871 1.299 ( 0.471 0.041 -1.997) 2.052 1.364 ( 3.034 -1.276 2.730) 4.276 1.382 ( 3.912 -1.310 -2.837) 5.007 1.418 ( -2.555 -1.197 0.008) 2.822 1.442 ( -0.534 -0.481 0.631) 0.957 1.546 ( -3.163 -1.815 2.624) 4.492 1.596 ( 0.899 -1.942 1.208) 2.458 1.632 ( -1.506 -0.290 -1.235) 1.969 1.650 ( 1.404 -0.816 0.149) 1.631 1.686 ( -3.731 0.739 -0.260) 3.813 1.733 ( 1.578 -1.382 -1.397) 2.520 1.801 ( -9.289 5.977 3.541) 11.600 1.930 ( 2.285 4.395 -4.908) 6.973 1.971 ( -2.327 1.559 1.862) 3.363 2.045 ( 2.991 0.102 -3.620) 4.697 2.085 ( 0.216 0.109 0.923) 0.954 2.113 ( 4.396 2.229 -0.062) 4.929 2.192 ( 0.461 0.057 -1.505) 1.575 2.211 ( 2.736 -2.589 1.166) 3.943 2.272 ( -1.389 3.502 -1.339) 3.999 2.293 ( 1.879 3.416 0.622) 3.947 2.373 ( -2.431 -1.832 0.817) 3.151 2.415 ( -1.594 -0.213 -0.557) 1.702 2.447 ( -1.151 1.561 -0.349) 1.971 2.508 ( 4.004 1.011 -0.322) 4.142 2.618 ( -1.772 0.481 1.761) 2.544 2.673 ( 3.503 0.768 -0.976) 3.717 2.762 ( -0.982 -3.085 0.517) 3.279 2.797 ( 2.044 -1.996 -0.777) 2.961 2.875 ( -1.334 1.595 3.185) 3.804 2.926 ( 2.042 2.083 -2.409) 3.783 3.008 ( -7.214 -0.502 -3.183) 7.901 3.083 ( 4.168 -3.054 3.164) 6.059 3.141 ( -3.778 -1.511 0.727) 4.133 3.169 ( -2.269 -1.889 -2.050) 3.594 3.264 ( -1.724 -1.158 0.351) 2.106 3.285 ( -1.250 -2.227 1.207) 2.824 3.297 ( 1.509 -0.821 -0.559) 1.807 3.364 ( 5.612 -2.588 -2.308) 6.597 3.491 ( -2.284 2.780 0.203) 3.604 3.535 ( -1.600 -0.105 0.294) 1.630 3.561 ( 0.447 3.352 -3.251) 4.690 3.622 ( 5.902 -1.578 2.781) 6.713 3.752 ( -2.854 0.696 2.818) 4.071 3.816 ( 3.007 -1.920 -0.571) 3.613 3.836 ( -0.770 1.906 3.469) 4.032 3.861 ( -3.418 0.682 -0.191) 3.490 3.919 ( 0.527 -3.149 -4.584) 5.587 3.939 ( 5.235 -2.157 -1.051) 5.759 3.988 ( -0.579 1.876 -0.996) 2.202 4.014 ( 3.052 1.847 1.434) 3.845 4.264 ( -3.292 -2.830 -1.989) 4.775 4.304 ( 3.143 -2.932 1.667) 4.610 4.363 ( -2.745 1.603 -2.675) 4.154 4.399 ( 2.355 0.416 2.669) 3.584 4.450 ( -2.527 1.556 -1.387) 3.275 4.512 ( 5.985 0.490 0.671) 6.042 4.621 ( -4.174 -1.415 4.056) 5.990 4.651 ( -1.139 -1.749 -0.187) 2.095 4.682 ( 1.016 1.121 1.185) 1.922 4.726 ( 3.247 0.540 -2.377) 4.060 4.926 ( -4.288 2.090 1.210) 4.922 4.973 ( 0.085 -2.156 0.111) 2.160 5.044 ( -1.831 -0.003 0.071) 1.833 5.069 ( 0.129 -2.734 -0.975) 2.905 5.120 ( -3.555 -0.335 0.126) 3.573 5.186 ( 3.023 0.507 -0.563) 3.116 5.331 ( -5.058 -1.535 -2.773) 5.969 5.371 ( 2.282 -1.405 -0.480) 2.722 5.438 ( 1.786 -1.966 -0.146) 2.660 5.468 ( -3.406 0.925 -0.620) 3.583 5.471 ( 5.731 -1.389 0.938) 5.971 5.541 ( 4.480 1.669 0.829) 4.853 5.651 ( -3.669 0.125 1.013) 3.808 5.709 ( 0.643 -0.199 -0.544) 0.865 5.838 ( 0.057 -0.314 1.977) 2.002 5.883 ( 2.919 0.378 -0.564) 2.997 5.994 ( -3.195 -1.453 0.283) 3.521 6.052 ( 3.772 -0.062 -0.928) 3.885 6.147 ( -3.102 3.694 2.637) 5.497 6.196 ( 1.311 3.441 -0.936) 3.799 6.273 ( -0.726 -1.627 -0.104) 1.784 6.282 ( 1.730 -0.551 2.528) 3.113 6.366 ( -3.030 2.777 1.112) 4.257 6.432 ( 3.030 -0.451 -1.468) 3.397 6.637 ( -3.178 -1.810 0.783) 3.740 6.656 ( -0.776 -1.037 0.360) 1.345 6.743 ( -3.789 0.416 1.319) 4.034 6.779 ( -1.136 -0.625 1.967) 2.356 6.797 ( 1.581 0.222 0.873) 1.820 6.840 ( 2.556 -0.950 -0.165) 2.732 6.925 ( 0.636 -0.350 1.883) 2.018 6.962 ( 3.120 -0.260 -0.491) 3.169 7.050 ( 1.576 8.497 0.341) 8.649 7.079 ( 3.296 5.744 -4.061) 7.768 7.217 ( -3.182 -4.168 1.624) 5.490 7.288 ( 3.908 -3.118 -1.923) 5.357 7.404 ( -2.267 -2.023 5.274) 6.087 7.425 ( -3.453 -1.607 -3.457) 5.143 7.570 ( -1.283 -1.687 -0.365) 2.151 7.587 ( 2.273 -1.456 2.216) 3.493 7.614 ( -2.063 0.963 4.153) 4.736 7.750 ( 6.987 0.093 -9.393) 11.706 7.824 ( -4.153 1.998 2.877) 5.433 7.904 ( 2.561 4.204 -3.253) 5.900 7.952 ( -0.012 0.863 2.488) 2.633 8.003 ( 4.361 1.116 -2.697) 5.247 8.160 ( -7.370 1.897 -0.227) 7.614 8.218 ( -0.573 -0.358 1.537) 1.679 8.318 ( 0.957 -3.499 -0.007) 3.627 8.349 ( 4.236 -1.693 -1.041) 4.679 8.385 ( -0.364 -0.446 -1.000) 1.153 8.449 ( 6.533 1.056 -3.764) 7.614 8.703 ( -2.051 -6.794 4.327) 8.312 8.737 ( -0.782 -6.394 -3.946) 7.554 8.863 ( 0.560 -1.576 1.321) 2.131 8.880 ( 0.515 0.001 -2.210) 2.269 9.191 ( -4.058 -2.415 5.019) 6.891 9.220 ( -2.363 -5.964 -1.241) 6.534 9.304 ( -1.720 -0.269 0.752) 1.896 9.335 ( 0.134 -2.049 -1.249) 2.403 9.482 ( -5.883 -0.977 3.887) 7.119 9.554 ( 1.606 1.405 -2.722) 3.459 9.654 ( -2.361 3.585 3.900) 5.800 9.717 ( -2.796 1.206 0.837) 3.158 9.742 ( 5.472 -0.869 -3.070) 6.334 9.771 ( 3.875 1.306 -0.036) 4.089 9.852 ( -0.143 0.253 -0.831) 0.880 9.865 ( 0.761 -0.170 0.566) 0.963 10.035 ( -3.120 4.391 -4.253) 6.863 10.079 ( 5.806 4.984 2.671) 8.104 10.235 ( -2.512 -7.165 -1.070) 7.668 10.266 ( 1.887 -6.041 -1.123) 6.428 10.357 ( -1.884 0.646 1.144) 2.297 10.418 ( 4.355 1.229 0.496) 4.553 10.666 ( -1.307 6.235 0.690) 6.408 10.685 ( -0.101 4.684 -1.376) 4.883 10.856 ( -2.650 1.690 1.708) 3.577 10.887 ( 0.028 0.338 -0.041) 0.342 10.991 ( -4.113 1.613 3.141) 5.421 11.057 ( 1.111 0.969 -2.590) 2.980 11.150 ( -1.451 3.082 2.660) 4.322 11.194 ( 2.154 4.000 -1.395) 4.752 11.345 ( -3.139 -1.077 2.310) 4.044 11.390 ( 0.420 0.514 0.282) 0.722 11.401 ( -1.736 1.541 -1.042) 2.544 11.426 ( 0.263 1.503 -1.506) 2.144 11.642 ( -2.585 -1.869 -0.198) 3.196 11.721 ( 7.310 -2.362 2.113) 7.968 11.955 ( -1.144 -1.165 -0.293) 1.659 12.017 ( 6.298 -1.363 -0.721) 6.484 12.205 ( 0.045 4.010 2.260) 4.603 12.229 ( 1.215 3.723 -2.687) 4.749 12.399 ( -0.790 -1.602 1.788) 2.527 12.424 ( 0.971 -1.108 -2.062) 2.534 12.575 ( -3.378 -0.060 2.528) 4.220 12.630 ( 1.733 -0.216 -2.477) 3.031 12.788 ( -7.284 -3.308 -0.087) 8.001 12.873 ( 4.084 -2.861 0.983) 5.083 13.001 ( -3.063 -1.248 0.278) 3.319 13.041 ( 0.605 -1.641 -1.953) 2.621 13.258 ( -1.784 2.392 1.132) 3.191 13.287 ( 0.955 2.603 -1.421) 3.115 14.500 ( -3.508 2.118 0.101) 4.099 14.574 ( 6.190 0.637 0.276) 6.229 15.446 ( -3.466 1.366 -1.687) 4.089 15.481 ( 2.347 -0.293 2.098) 3.162 15.745 ( -5.968 4.689 2.363) 7.949 15.837 ( 3.129 3.808 -3.095) 5.820 15.978 ( -7.268 0.327 -1.956) 7.534 16.037 ( 1.252 0.343 1.598) 2.058 16.748 ( -5.319 0.055 -0.836) 5.385 16.807 ( 3.111 0.204 1.188) 3.337 16.851 ( -0.538 1.653 -1.215) 2.121 16.881 ( 3.420 2.050 0.292) 3.998 17.083 ( -2.759 -0.680 0.569) 2.898 17.114 ( 1.202 1.835 1.642) 2.740 17.339 ( -7.176 -15.105 8.349) 18.692 17.526 ( 11.918 -10.060 -5.704) 16.606 18.102 ( -0.887 1.121 2.859) 3.197 18.123 ( 0.507 2.140 -0.438) 2.243 18.128 ( -0.751 -0.005 -0.998) 1.249 18.139 ( 0.577 0.562 -1.736) 1.913 18.325 ( -1.963 -0.354 1.214) 2.335 18.369 ( 2.329 -0.458 -1.313) 2.713 18.447 ( -1.860 2.105 -0.857) 2.937 18.461 ( 0.062 2.042 0.772) 2.184 18.652 ( -3.319 -3.563 1.797) 5.190 18.710 ( 3.313 -3.590 -0.952) 4.977 18.883 ( -0.908 -0.552 3.825) 3.970 18.915 ( 0.159 0.029 -4.044) 4.048 19.235 ( -4.720 -1.918 1.350) 5.270 19.305 ( 2.067 -2.578 0.761) 3.391 19.439 ( -1.202 7.563 2.195) 7.966 19.580 ( 11.066 6.668 -7.967) 15.179 ======================= Grid point 82 (46/54) ======================= q-point: (-0.29 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( -10.823 7.524 2.491) 13.415 0.743 ( -13.503 7.356 4.524) 16.029 0.920 ( 0.955 -7.340 0.641) 7.430 0.988 ( -2.626 -8.252 0.586) 8.680 1.105 ( -3.181 -0.965 1.559) 3.671 1.127 ( -0.610 1.028 1.559) 1.965 1.168 ( 0.071 -2.407 -1.560) 2.869 1.215 ( -0.678 -3.238 -0.268) 3.319 1.272 ( -1.935 -2.024 1.200) 3.047 1.304 ( 3.174 -0.924 -1.353) 3.572 1.399 ( -2.030 -0.591 0.944) 2.316 1.412 ( -1.600 -1.504 2.098) 3.037 1.452 ( 4.337 0.524 0.319) 4.380 1.472 ( 5.465 0.588 1.394) 5.671 1.543 ( -2.298 -0.438 2.265) 3.256 1.575 ( -1.968 1.188 -1.663) 2.838 1.615 ( -2.638 1.669 1.660) 3.536 1.632 ( -1.365 0.226 2.503) 2.860 1.687 ( 0.312 -3.240 1.260) 3.490 1.738 ( -3.909 2.303 2.731) 5.295 1.754 ( 1.892 -0.973 1.864) 2.828 1.866 ( 0.930 1.919 -5.816) 6.195 1.958 ( -1.594 1.837 -1.695) 2.964 2.037 ( 0.630 0.937 -0.455) 1.217 2.091 ( -0.012 0.306 -3.192) 3.207 2.119 ( -1.911 1.040 -4.815) 5.284 2.187 ( 1.622 2.281 -2.154) 3.532 2.208 ( 2.753 -0.010 -0.412) 2.783 2.280 ( 0.627 -0.093 0.552) 0.841 2.295 ( -0.863 -2.754 1.067) 3.077 2.357 ( -0.709 4.770 -0.728) 4.877 2.400 ( 0.918 3.481 -1.226) 3.803 2.508 ( 2.779 -0.310 4.450) 5.255 2.526 ( 0.832 0.422 -0.199) 0.954 2.647 ( -0.749 -1.583 3.932) 4.305 2.720 ( 1.525 -3.667 -0.690) 4.031 2.774 ( 0.079 -2.462 1.412) 2.839 2.789 ( -0.643 -1.190 -2.030) 2.440 2.863 ( -3.345 -2.065 -0.003) 3.931 2.925 ( 1.308 2.200 -1.185) 2.820 2.934 ( 2.248 1.413 3.461) 4.362 3.074 ( -3.760 -0.612 -1.049) 3.951 3.104 ( -5.468 -1.344 0.828) 5.692 3.164 ( 0.256 -1.248 3.396) 3.627 3.229 ( -2.985 -3.698 -2.752) 5.492 3.272 ( -1.886 1.168 0.477) 2.269 3.283 ( -2.643 -1.812 -0.056) 3.205 3.417 ( 4.939 -1.770 -0.791) 5.306 3.460 ( 2.886 -0.016 -2.113) 3.577 3.537 ( 2.951 1.160 -0.042) 3.171 3.608 ( 3.610 0.866 -0.227) 3.719 3.717 ( 1.407 -2.853 1.267) 3.424 3.751 ( -2.335 -1.851 -0.699) 3.061 3.770 ( -3.598 0.125 -2.437) 4.347 3.814 ( -1.707 0.164 2.479) 3.015 3.840 ( 0.200 0.650 -1.719) 1.849 3.924 ( 4.390 0.252 1.027) 4.516 4.034 ( 6.013 0.317 1.565) 6.222 4.041 ( 5.163 -2.233 0.845) 5.688 4.112 ( 1.355 2.394 4.237) 5.051 4.174 ( -1.300 -0.596 -3.923) 4.175 4.265 ( -0.876 4.057 -3.355) 5.336 4.315 ( -3.889 -2.435 1.351) 4.783 4.412 ( 2.383 -0.248 -2.376) 3.374 4.522 ( 3.191 -3.305 2.600) 5.279 4.548 ( -0.430 -1.476 -3.982) 4.268 4.612 ( -2.073 0.997 2.014) 3.057 4.643 ( -0.237 -3.837 1.903) 4.290 4.700 ( 2.553 0.409 -3.074) 4.016 4.746 ( 0.876 1.815 -0.558) 2.091 4.826 ( -4.218 2.673 0.426) 5.012 4.974 ( -0.747 2.604 2.059) 3.402 5.061 ( 0.419 -1.400 1.559) 2.136 5.071 ( -1.333 -0.684 3.542) 3.845 5.116 ( -0.441 -0.625 2.567) 2.678 5.210 ( -1.203 0.929 -4.500) 4.749 5.236 ( -2.376 -0.628 3.164) 4.007 5.353 ( -0.242 -1.636 -2.444) 2.951 5.427 ( -0.256 -1.669 0.121) 1.693 5.470 ( 1.988 -0.575 -2.980) 3.628 5.560 ( 1.782 -1.091 0.486) 2.145 5.584 ( 1.972 -0.009 2.124) 2.898 5.657 ( 2.677 0.341 -0.300) 2.715 5.714 ( 2.537 4.208 1.245) 5.069 5.855 ( 2.063 1.466 -1.366) 2.876 5.918 ( -1.442 -1.802 -0.071) 2.309 5.975 ( 0.222 -3.924 1.363) 4.160 6.072 ( 1.530 1.975 -2.435) 3.488 6.124 ( -2.907 -0.229 1.255) 3.174 6.197 ( 3.047 4.216 -3.178) 6.095 6.291 ( 0.250 -3.409 0.992) 3.559 6.336 ( -1.418 3.631 1.827) 4.305 6.354 ( 1.993 -2.384 1.196) 3.329 6.445 ( 1.762 -2.241 -2.122) 3.554 6.585 ( -3.689 -0.102 0.282) 3.701 6.613 ( -0.896 2.586 -1.384) 3.067 6.747 ( -0.713 -0.749 2.809) 2.993 6.791 ( 0.480 -1.434 -1.872) 2.407 6.806 ( 0.958 2.068 -0.995) 2.487 6.889 ( 1.524 -4.467 1.620) 4.990 6.982 ( 2.071 -0.247 -1.711) 2.698 6.993 ( 4.041 1.817 -4.524) 6.332 7.040 ( 1.900 -0.385 -1.948) 2.749 7.087 ( 4.169 9.398 -0.687) 10.304 7.198 ( 1.811 -0.010 0.443) 1.864 7.276 ( -5.130 2.356 -1.373) 5.810 7.352 ( -0.519 -0.476 0.047) 0.706 7.396 ( -3.646 -4.676 0.309) 5.937 7.518 ( -3.489 -2.168 -3.057) 5.120 7.581 ( -1.874 1.386 -3.245) 3.996 7.626 ( -2.605 4.158 -2.278) 5.410 7.756 ( 5.176 0.901 -4.847) 7.148 7.815 ( 3.296 -2.158 4.156) 5.726 7.900 ( -0.210 6.121 0.013) 6.125 8.018 ( 3.227 1.461 -2.484) 4.327 8.029 ( 3.409 -0.933 4.258) 5.534 8.169 ( 1.526 -1.879 5.979) 6.450 8.202 ( -4.089 -1.941 3.028) 5.446 8.339 ( 1.367 -1.465 -0.127) 2.008 8.391 ( 1.337 -1.130 0.381) 1.792 8.449 ( 3.711 -3.083 -0.146) 4.827 8.536 ( 5.113 -4.003 4.425) 7.858 8.674 ( -2.830 -4.083 -1.556) 5.206 8.728 ( 0.708 -2.983 3.206) 4.436 8.841 ( -1.227 0.232 -2.207) 2.536 8.902 ( 2.031 -0.817 1.163) 2.479 9.109 ( -5.520 -2.616 -3.114) 6.856 9.199 ( -3.820 0.980 1.510) 4.223 9.241 ( -2.438 -4.298 1.406) 5.137 9.342 ( -2.881 -2.358 2.090) 4.269 9.455 ( -0.602 0.223 -0.824) 1.044 9.570 ( -2.525 -2.579 2.742) 4.533 9.612 ( -2.725 3.282 -1.390) 4.487 9.709 ( -0.538 -1.340 1.301) 1.944 9.769 ( 1.852 2.968 -0.025) 3.498 9.843 ( 1.890 0.278 -1.491) 2.423 9.853 ( 4.466 -0.111 0.082) 4.468 9.930 ( 2.171 2.701 -1.428) 3.748 9.947 ( 1.211 2.182 0.584) 2.563 10.174 ( 2.050 4.147 -0.999) 4.733 10.183 ( -0.695 -2.065 0.943) 2.374 10.227 ( -0.318 -4.284 -3.143) 5.323 10.386 ( 1.525 -3.703 0.406) 4.025 10.469 ( 1.354 3.262 -1.182) 3.725 10.620 ( -2.884 5.041 -3.831) 6.957 10.649 ( -0.789 4.169 -0.578) 4.282 10.800 ( -4.099 4.346 0.307) 5.982 10.906 ( 1.469 0.184 0.411) 1.537 10.977 ( -0.034 0.265 -1.389) 1.414 11.022 ( -2.827 0.728 0.483) 2.959 11.110 ( -6.087 0.253 -2.444) 6.565 11.230 ( 2.506 2.633 2.005) 4.152 11.280 ( -3.097 -1.547 -1.727) 3.869 11.381 ( 1.176 0.571 -0.200) 1.322 11.414 ( -0.988 0.881 3.937) 4.154 11.463 ( 0.147 1.492 3.194) 3.528 11.645 ( 3.832 1.350 -0.388) 4.081 11.892 ( 2.998 0.571 3.950) 4.992 11.972 ( 8.230 -3.411 -0.729) 8.939 12.093 ( 5.589 -3.468 -3.056) 7.253 12.160 ( 0.310 5.050 -5.026) 7.131 12.264 ( 1.881 2.657 1.422) 3.553 12.362 ( -1.603 -1.846 -4.829) 5.412 12.412 ( -0.920 -1.303 0.797) 1.783 12.558 ( -4.356 -1.417 2.615) 5.275 12.639 ( -2.042 0.034 1.421) 2.488 12.704 ( -3.395 -0.519 3.217) 4.706 12.891 ( -5.261 -1.673 0.466) 5.541 12.974 ( -0.722 -5.707 -3.548) 6.759 12.988 ( -0.295 -2.534 1.743) 3.090 13.240 ( -2.666 3.508 -2.835) 5.239 13.262 ( -0.678 3.921 1.202) 4.157 14.483 ( -0.092 2.364 1.509) 2.806 14.678 ( 7.097 -1.506 -0.156) 7.257 15.343 ( -5.121 4.350 -2.916) 7.325 15.536 ( -2.697 -3.537 3.571) 5.705 15.684 ( 0.407 2.416 -2.451) 3.466 15.809 ( -7.382 1.255 -2.689) 7.956 15.866 ( -1.950 5.301 2.260) 6.084 16.018 ( -4.869 0.258 0.769) 4.937 16.644 ( -6.686 -0.458 -0.945) 6.768 16.822 ( -0.955 -0.772 -0.166) 1.240 16.849 ( 0.261 0.502 -1.073) 1.214 16.926 ( 1.649 1.121 -1.157) 2.305 17.059 ( 0.696 0.348 0.165) 0.795 17.202 ( 2.363 4.979 5.323) 7.662 17.255 ( -7.669 -18.563 -5.788) 20.902 17.627 ( 14.210 -4.594 -6.625) 16.338 18.073 ( -1.278 0.413 -2.318) 2.679 18.119 ( 0.166 0.692 -1.809) 1.944 18.144 ( 1.827 -1.415 3.815) 4.460 18.171 ( -0.896 -1.219 3.023) 3.381 18.319 ( -0.409 0.739 1.425) 1.657 18.350 ( 0.619 1.792 -3.163) 3.687 18.417 ( -2.197 0.204 0.714) 2.320 18.469 ( -0.937 3.102 1.545) 3.590 18.628 ( -3.195 -5.694 0.454) 6.545 18.782 ( 2.990 -3.808 1.568) 5.089 18.831 ( -1.482 -0.060 -4.741) 4.968 18.902 ( -0.661 -1.533 0.746) 1.828 19.084 ( -4.673 4.253 -4.397) 7.698 19.287 ( -2.516 -2.275 -5.333) 6.320 19.591 ( 6.948 5.017 11.710) 14.511 19.828 ( 19.117 8.032 7.182) 21.944 ======================= Grid point 83 (47/54) ======================= q-point: (-0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -3.828 10.024 8.825) 13.893 0.665 ( -6.750 9.054 9.297) 14.628 0.879 ( -5.419 -1.972 0.117) 5.768 0.992 ( -0.440 -5.752 1.740) 6.025 1.076 ( -6.263 -2.462 7.429) 10.024 1.136 ( 0.340 0.490 -0.461) 0.754 1.165 ( 2.257 -2.518 -0.425) 3.408 1.230 ( 0.991 -2.656 0.799) 2.945 1.270 ( -0.272 -2.171 0.733) 2.307 1.310 ( 2.398 -0.257 -3.748) 4.457 1.368 ( -4.139 -2.832 2.933) 5.810 1.431 ( -1.667 -1.861 2.653) 3.644 1.501 ( 0.898 2.067 0.540) 2.317 1.527 ( 0.240 0.943 -0.359) 1.037 1.544 ( -3.238 1.409 2.723) 4.459 1.569 ( 3.288 -0.207 -1.363) 3.565 1.619 ( 1.372 2.005 0.573) 2.496 1.653 ( -0.961 0.608 1.715) 2.057 1.711 ( 0.795 -2.214 1.902) 3.025 1.745 ( -1.001 1.365 2.595) 3.098 1.820 ( 0.207 0.656 0.633) 0.935 1.832 ( 3.698 -4.638 -0.559) 5.958 1.923 ( 2.565 -0.391 -1.491) 2.993 1.969 ( -1.482 3.808 -5.862) 7.146 2.036 ( 0.131 0.963 -1.993) 2.217 2.079 ( -1.331 -0.637 -1.247) 1.932 2.199 ( 3.065 -0.887 -1.179) 3.402 2.226 ( 1.151 1.882 -2.178) 3.100 2.248 ( -1.351 2.183 0.706) 2.663 2.298 ( -1.599 4.301 -1.249) 4.755 2.347 ( 2.164 -1.181 -1.408) 2.839 2.393 ( -0.326 2.018 0.833) 2.208 2.532 ( -0.162 -0.284 -0.007) 0.327 2.623 ( 3.193 -0.674 3.128) 4.521 2.651 ( -5.721 -1.370 3.738) 6.970 2.692 ( -2.128 -2.998 -2.908) 4.688 2.724 ( -2.899 -4.172 -0.894) 5.158 2.808 ( 1.040 1.362 4.047) 4.395 2.875 ( 1.420 -4.727 -2.100) 5.364 2.929 ( -1.196 0.509 -2.351) 2.687 2.952 ( -6.019 0.368 -2.274) 6.445 2.988 ( -6.294 -0.777 -1.019) 6.424 3.076 ( 4.985 -2.047 3.446) 6.396 3.132 ( 0.373 -4.744 -1.327) 4.940 3.214 ( -3.026 -0.111 -1.319) 3.303 3.249 ( 1.417 0.932 4.423) 4.737 3.284 ( -0.075 0.138 2.336) 2.342 3.480 ( 2.022 -0.311 -0.081) 2.048 3.506 ( 5.665 -1.758 -1.623) 6.150 3.569 ( 4.127 2.431 -2.257) 5.295 3.630 ( -1.314 -2.223 -0.035) 2.582 3.672 ( -1.409 2.693 -0.172) 3.044 3.714 ( -0.818 3.047 -2.277) 3.891 3.751 ( -1.225 -2.190 -0.049) 2.509 3.811 ( -1.202 1.282 0.027) 1.758 3.878 ( 0.692 -0.073 5.293) 5.339 3.992 ( 0.266 -0.119 1.521) 1.549 4.030 ( -1.823 -0.739 -2.779) 3.405 4.128 ( 3.446 -0.057 0.549) 3.490 4.162 ( 3.612 -1.294 -2.097) 4.372 4.187 ( 2.386 0.053 0.708) 2.490 4.216 ( 0.434 -0.287 0.593) 0.789 4.297 ( -2.565 1.450 2.645) 3.960 4.419 ( -0.833 1.483 -3.779) 4.144 4.470 ( -0.995 -3.314 -0.091) 3.461 4.524 ( -0.215 -2.765 -1.589) 3.196 4.589 ( -2.264 -1.717 -4.489) 5.313 4.677 ( 2.452 -5.146 -0.786) 5.754 4.723 ( 3.332 0.586 0.763) 3.468 4.737 ( -1.855 -1.102 3.497) 4.109 4.885 ( 3.293 1.055 5.614) 6.594 4.992 ( -2.497 0.181 2.742) 3.713 5.059 ( 0.964 5.650 -1.298) 5.877 5.096 ( -0.090 1.395 1.011) 1.725 5.129 ( -1.559 2.402 -1.380) 3.178 5.177 ( 2.383 1.895 -2.228) 3.773 5.265 ( 0.385 -1.198 5.069) 5.222 5.354 ( 2.705 -3.152 -0.129) 4.155 5.410 ( -0.918 -2.201 -0.256) 2.398 5.470 ( 3.028 -0.076 -1.302) 3.297 5.561 ( -4.482 2.858 2.260) 5.776 5.649 ( 2.072 -0.923 1.075) 2.510 5.704 ( 4.571 2.069 -0.684) 5.064 5.788 ( 3.836 1.908 -1.056) 4.413 5.869 ( 1.866 0.534 0.949) 2.161 5.891 ( -2.277 -0.950 1.779) 3.041 5.991 ( 1.347 -4.365 -0.830) 4.643 6.039 ( -1.566 2.301 -2.210) 3.554 6.085 ( -2.935 -1.207 0.083) 3.175 6.196 ( 3.007 2.202 -4.148) 5.577 6.284 ( -1.714 -1.600 0.416) 2.381 6.346 ( -1.466 0.463 1.158) 1.925 6.379 ( 0.575 -3.968 0.106) 4.011 6.450 ( 3.604 -4.634 -2.404) 6.344 6.550 ( -1.603 0.590 2.410) 2.954 6.628 ( 2.764 2.999 -0.063) 4.079 6.740 ( -1.948 -1.672 -2.919) 3.887 6.755 ( 1.555 -0.695 -2.885) 3.350 6.792 ( -0.385 2.349 -2.565) 3.500 6.894 ( -3.246 -4.345 0.310) 5.432 6.962 ( 2.801 2.626 -3.848) 5.436 6.987 ( 1.332 -0.365 -0.044) 1.382 7.055 ( 1.311 0.940 -2.516) 2.989 7.142 ( -1.781 0.684 -1.629) 2.509 7.177 ( -2.912 3.358 3.031) 5.379 7.244 ( -0.184 -2.926 -2.597) 3.917 7.297 ( -1.790 4.394 0.522) 4.773 7.373 ( -0.387 -0.609 -1.862) 1.997 7.430 ( 0.233 -2.100 -2.272) 3.103 7.491 ( -0.990 6.299 -1.714) 6.603 7.611 ( 0.925 5.512 2.030) 5.947 7.744 ( -0.041 2.728 -2.547) 3.732 7.884 ( 2.699 1.857 0.987) 3.421 7.958 ( 2.142 4.005 1.935) 4.937 8.050 ( 2.379 0.961 0.685) 2.656 8.134 ( 0.807 1.298 2.073) 2.576 8.168 ( 0.856 -4.731 1.003) 4.911 8.300 ( 2.872 -1.498 2.047) 3.832 8.342 ( 0.207 -0.324 -0.640) 0.746 8.401 ( -2.008 -0.836 0.808) 2.320 8.477 ( -1.244 -7.372 3.720) 8.351 8.565 ( -0.964 -4.189 -2.086) 4.778 8.671 ( -2.988 -2.962 3.153) 5.258 8.807 ( 4.517 -4.423 -0.052) 6.322 8.836 ( 3.669 1.138 0.613) 3.890 8.933 ( -3.599 0.274 -1.100) 3.773 8.982 ( -0.665 -0.376 -0.659) 1.009 9.175 ( -1.064 0.140 1.250) 1.647 9.267 ( -0.890 -3.615 4.014) 5.475 9.330 ( -0.781 -3.591 0.177) 3.679 9.436 ( 1.385 -0.061 -1.924) 2.372 9.516 ( -6.258 -1.591 1.548) 6.640 9.583 ( 0.309 3.598 -0.390) 3.633 9.699 ( -1.210 1.762 -1.490) 2.606 9.806 ( -2.642 -0.025 3.283) 4.214 9.821 ( 2.066 3.052 -3.014) 4.761 9.907 ( 3.619 -0.605 0.027) 3.670 9.980 ( 3.483 0.377 -0.865) 3.609 10.000 ( 2.483 2.004 0.708) 3.268 10.136 ( 0.294 2.268 -2.344) 3.275 10.204 ( -0.380 -1.002 -2.149) 2.401 10.229 ( 2.648 -2.370 2.868) 4.567 10.374 ( -4.734 2.185 -0.050) 5.214 10.436 ( 2.846 2.190 -3.340) 4.904 10.554 ( 0.846 3.304 -3.377) 4.800 10.614 ( -1.711 2.656 -1.853) 3.663 10.753 ( -3.609 2.023 1.235) 4.318 10.888 ( -2.813 -2.093 -4.611) 5.793 10.946 ( -2.402 3.314 -2.404) 4.747 10.996 ( -0.396 -0.768 0.468) 0.982 11.025 ( -0.276 -4.254 1.769) 4.615 11.191 ( -3.125 -2.256 -2.827) 4.780 11.289 ( 0.793 2.651 1.916) 3.365 11.400 ( 0.629 4.291 -0.651) 4.385 11.454 ( -1.809 0.964 3.029) 3.657 11.494 ( -0.980 1.009 2.885) 3.209 11.709 ( 4.442 3.585 0.631) 5.743 11.903 ( -1.074 2.062 -1.101) 2.573 12.110 ( 5.121 -0.773 -3.622) 6.320 12.119 ( 3.955 -3.323 -0.544) 5.194 12.124 ( 4.680 -0.550 -3.671) 5.973 12.286 ( 1.719 1.540 -0.252) 2.322 12.308 ( 1.140 1.169 -0.170) 1.641 12.412 ( -2.477 -3.200 2.080) 4.550 12.520 ( -3.749 -0.492 1.814) 4.194 12.598 ( -4.395 0.900 0.870) 4.569 12.751 ( -2.455 -3.984 4.552) 6.529 12.805 ( -3.439 -1.316 -0.562) 3.725 12.901 ( -1.969 -2.137 -0.200) 2.912 13.046 ( 2.194 -3.017 1.380) 3.977 13.157 ( -2.317 2.409 -1.432) 3.636 13.265 ( -0.697 2.625 0.277) 2.730 14.538 ( 2.009 3.609 4.126) 5.838 14.767 ( 5.107 -0.878 -2.005) 5.557 15.240 ( -2.848 3.583 -1.505) 4.818 15.444 ( -11.780 -4.106 -0.608) 12.490 15.664 ( -2.069 3.157 -4.148) 5.608 15.684 ( 1.650 2.517 -2.990) 4.243 15.864 ( -2.422 2.120 1.646) 3.615 15.948 ( -4.824 -0.428 0.655) 4.887 16.551 ( -4.268 1.078 0.437) 4.424 16.700 ( -9.555 -0.948 -4.206) 10.482 16.829 ( 0.669 -0.282 -0.286) 0.780 16.886 ( -2.617 -0.015 0.160) 2.622 17.076 ( 0.530 -0.837 1.383) 1.701 17.161 ( 3.647 -3.629 -3.598) 6.278 17.343 ( 1.420 5.851 9.930) 11.613 17.737 ( 12.008 0.035 -8.443) 14.680 18.013 ( -0.067 1.056 -3.715) 3.863 18.081 ( 0.229 0.735 -3.619) 3.700 18.175 ( -1.305 -3.374 1.896) 4.085 18.260 ( -1.177 -4.036 4.799) 6.380 18.284 ( 1.626 0.965 -2.449) 3.094 18.381 ( -0.131 0.689 1.897) 2.023 18.392 ( -0.793 -0.220 2.511) 2.642 18.488 ( -1.402 0.796 2.948) 3.360 18.571 ( -3.201 -3.872 1.648) 5.287 18.739 ( -1.547 -2.292 -5.360) 6.031 18.824 ( 1.173 -5.546 0.088) 5.669 18.902 ( 0.889 -2.111 -0.695) 2.393 19.006 ( -2.438 4.597 -0.389) 5.218 19.156 ( -2.177 0.117 -7.195) 7.518 19.885 ( 5.908 3.189 14.099) 15.616 20.216 ( 17.799 1.019 1.102) 17.863 ======================= Grid point 84 (48/54) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 3.912 4.391 5.024) 7.735 0.834 ( -5.774 6.961 -3.289) 9.624 0.917 ( 2.688 -4.064 5.121) 7.069 0.927 ( -1.641 -1.961 4.884) 5.513 1.080 ( -0.196 -2.983 0.697) 3.070 1.098 ( -0.278 -3.804 -1.986) 4.300 1.146 ( -2.605 1.259 3.321) 4.405 1.221 ( -0.454 -3.803 -1.284) 4.040 1.250 ( 4.298 0.302 1.862) 4.694 1.288 ( 2.616 -2.390 -0.397) 3.566 1.306 ( -0.191 1.735 -0.002) 1.745 1.347 ( -2.525 -1.755 -1.267) 3.325 1.492 ( -5.046 1.225 0.486) 5.216 1.524 ( -5.471 -1.345 0.765) 5.686 1.552 ( 3.449 0.760 -2.343) 4.239 1.570 ( 3.060 -1.152 -1.417) 3.563 1.671 ( -1.512 1.712 4.721) 5.245 1.704 ( -1.415 -1.367 3.735) 4.221 1.733 ( 0.225 1.125 1.606) 1.974 1.786 ( 3.353 -3.136 0.138) 4.593 1.808 ( 0.936 2.569 -1.886) 3.322 1.857 ( 3.526 -1.401 -3.034) 4.858 1.941 ( 2.349 2.677 -1.916) 4.044 1.960 ( -0.520 0.588 -2.157) 2.295 2.027 ( -3.758 1.252 2.195) 4.528 2.056 ( 0.899 0.502 0.179) 1.045 2.234 ( 0.247 1.183 -2.543) 2.815 2.243 ( 3.285 1.216 -1.405) 3.775 2.269 ( -1.167 -0.004 -0.481) 1.262 2.295 ( 1.863 -0.017 -1.372) 2.314 2.414 ( 1.365 3.737 2.123) 4.509 2.447 ( 0.611 1.786 0.443) 1.939 2.496 ( 1.793 -1.304 0.305) 2.238 2.526 ( -3.061 -4.565 0.638) 5.533 2.575 ( -2.961 0.362 -3.303) 4.451 2.615 ( -0.028 -2.498 -3.650) 4.423 2.714 ( 0.499 -1.023 2.262) 2.532 2.726 ( -0.913 -2.303 0.159) 2.482 2.875 ( -0.836 1.872 -1.059) 2.308 2.886 ( -0.200 1.333 -2.034) 2.440 2.941 ( 0.798 0.378 0.591) 1.062 2.954 ( -0.110 -0.777 0.031) 0.786 3.032 ( -1.033 -0.393 3.946) 4.098 3.069 ( -0.628 -2.805 0.860) 3.001 3.238 ( 2.381 -1.127 1.096) 2.853 3.251 ( 1.206 -2.228 -0.340) 2.556 3.386 ( 0.554 2.807 0.622) 2.928 3.437 ( -0.517 -1.775 -3.660) 4.100 3.583 ( 4.160 0.919 2.770) 5.082 3.601 ( -0.319 -0.914 2.553) 2.731 3.649 ( -6.089 1.683 0.612) 6.347 3.684 ( -3.855 -0.718 0.472) 3.950 3.701 ( 3.299 2.490 -1.820) 4.516 3.721 ( 0.295 0.764 -1.806) 1.983 3.896 ( 0.429 1.928 1.764) 2.648 3.916 ( -2.171 -0.412 -0.296) 2.229 3.973 ( -1.471 -0.065 5.347) 5.546 4.019 ( 2.380 -2.051 5.505) 6.339 4.102 ( -2.280 1.792 -3.507) 4.550 4.149 ( -6.188 -1.479 -2.209) 6.735 4.231 ( 5.292 1.537 3.487) 6.521 4.286 ( 2.534 0.204 0.720) 2.642 4.327 ( 1.529 -1.666 1.450) 2.686 4.367 ( -0.090 -2.142 -1.033) 2.380 4.416 ( 2.198 2.598 -4.112) 5.337 4.436 ( -3.798 0.478 -4.263) 5.730 4.472 ( -1.355 -2.445 -1.351) 3.105 4.502 ( 2.169 -4.263 -3.956) 6.207 4.786 ( 0.298 0.227 2.864) 2.888 4.791 ( 0.561 -0.071 2.478) 2.542 5.020 ( 0.189 0.269 3.818) 3.833 5.022 ( 1.831 0.406 3.041) 3.573 5.098 ( -2.137 0.834 -0.317) 2.316 5.125 ( 0.751 -0.504 -0.797) 1.206 5.152 ( -0.554 3.794 -2.279) 4.460 5.183 ( 1.236 2.030 -4.023) 4.673 5.324 ( 1.203 -0.973 3.197) 3.552 5.351 ( 0.985 -2.529 2.766) 3.875 5.398 ( 0.255 1.314 -0.880) 1.602 5.446 ( 0.104 -2.374 -3.525) 4.251 5.562 ( -3.396 1.151 2.641) 4.454 5.600 ( -0.682 -2.305 -0.551) 2.466 5.792 ( -0.941 1.112 0.708) 1.620 5.821 ( -0.031 -0.316 -1.767) 1.796 5.878 ( -1.100 -0.816 2.487) 2.839 5.914 ( -0.149 -2.199 -0.904) 2.382 5.976 ( -1.531 2.778 4.514) 5.517 6.026 ( 1.124 -0.962 1.234) 1.927 6.085 ( -1.577 3.396 2.042) 4.265 6.147 ( -0.184 -3.203 -0.254) 3.218 6.200 ( 1.303 -0.485 -5.127) 5.313 6.222 ( 1.925 -2.653 -5.098) 6.061 6.403 ( -1.549 1.322 2.343) 3.104 6.437 ( 2.714 -1.406 -0.145) 3.060 6.584 ( -2.468 -1.802 -2.477) 3.933 6.590 ( 1.547 -1.595 -1.806) 2.863 6.697 ( -2.374 2.196 -0.204) 3.240 6.726 ( 0.812 0.334 -3.546) 3.653 6.768 ( -3.342 0.689 0.943) 3.540 6.812 ( 5.469 -2.480 -2.904) 6.671 7.014 ( -3.514 2.684 1.593) 4.700 7.047 ( 0.432 1.542 -0.511) 1.681 7.066 ( -1.377 -0.109 -0.961) 1.683 7.077 ( 4.118 1.051 -1.252) 4.431 7.162 ( -3.597 -0.356 0.981) 3.746 7.182 ( 0.461 -1.488 0.013) 1.558 7.306 ( -1.693 1.183 0.079) 2.066 7.338 ( 2.256 -1.572 -2.110) 3.466 7.548 ( -0.299 6.879 1.782) 7.112 7.602 ( 1.428 8.437 -3.503) 9.246 7.701 ( -1.173 -4.695 1.785) 5.158 7.744 ( -0.027 -1.958 -2.051) 2.836 8.005 ( -1.456 2.946 4.347) 5.449 8.054 ( 0.472 -0.731 -1.178) 1.465 8.102 ( 0.607 0.056 3.005) 3.066 8.116 ( -0.144 1.484 1.696) 2.259 8.221 ( 2.381 1.203 0.865) 2.804 8.278 ( 0.162 3.352 -2.110) 3.964 8.360 ( 0.121 -6.254 4.340) 7.613 8.396 ( 0.484 -0.658 1.617) 1.812 8.459 ( 0.154 2.748 2.520) 3.732 8.521 ( 1.286 0.127 -1.879) 2.281 8.588 ( -1.683 -5.957 -0.467) 6.208 8.617 ( 5.091 -4.868 -3.328) 7.791 8.867 ( -0.709 -0.512 -0.280) 0.918 8.895 ( -1.921 -1.782 -2.361) 3.527 9.060 ( -1.453 3.642 2.198) 4.496 9.089 ( -0.372 1.114 -0.421) 1.248 9.195 ( -0.335 -4.829 0.451) 4.861 9.209 ( -1.787 -5.317 -0.682) 5.651 9.474 ( -0.128 1.944 2.388) 3.082 9.494 ( 1.893 0.294 1.161) 2.240 9.705 ( 1.756 2.886 1.179) 3.578 9.717 ( -0.239 1.526 -0.332) 1.580 9.808 ( -1.371 1.189 0.393) 1.857 9.833 ( -0.175 0.117 -2.283) 2.292 9.949 ( -1.887 1.494 0.637) 2.490 9.981 ( -0.604 -1.453 -1.246) 2.008 10.127 ( 1.624 2.740 2.759) 4.214 10.146 ( -0.324 0.921 0.097) 0.981 10.210 ( 5.056 1.800 -0.352) 5.378 10.272 ( 2.872 -2.813 3.904) 5.604 10.343 ( -3.928 3.086 -1.975) 5.372 10.428 ( -4.838 -3.788 -3.514) 7.078 10.572 ( -1.506 4.796 -0.190) 5.031 10.617 ( 1.296 4.506 -3.736) 5.995 10.681 ( 2.381 -4.793 -1.314) 5.511 10.705 ( -2.434 -3.262 -3.251) 5.209 10.984 ( -3.857 3.007 0.866) 4.967 11.009 ( 4.500 1.447 -1.422) 4.936 11.043 ( 2.099 -1.830 0.228) 2.794 11.054 ( -1.626 -2.555 -0.987) 3.185 11.403 ( 0.497 3.201 1.948) 3.780 11.420 ( -2.120 2.139 0.275) 3.024 11.517 ( 0.625 0.045 1.940) 2.039 11.524 ( -0.308 -0.274 1.136) 1.208 11.903 ( 1.310 5.009 2.495) 5.747 11.942 ( -0.867 4.261 -0.992) 4.460 12.025 ( -0.243 -3.527 -0.516) 3.573 12.063 ( 0.696 -3.409 -3.673) 5.059 12.211 ( 4.230 0.712 -0.207) 4.294 12.240 ( -3.860 -1.629 -2.109) 4.691 12.321 ( -0.787 -0.394 1.267) 1.543 12.347 ( 2.204 -1.944 -0.961) 3.092 12.552 ( -0.399 2.550 2.425) 3.542 12.587 ( -0.217 2.177 -0.652) 2.283 12.648 ( -2.408 -3.782 2.134) 4.966 12.688 ( 1.472 -4.555 -1.684) 5.074 12.997 ( 2.187 3.221 4.599) 6.025 13.049 ( -0.004 -0.372 1.210) 1.266 13.160 ( 0.180 0.839 -0.294) 0.907 13.212 ( -1.711 -2.693 -3.664) 4.858 14.714 ( 0.229 3.544 3.571) 5.036 14.763 ( 0.009 -0.944 -1.021) 1.391 15.256 ( 1.396 0.533 -0.246) 1.514 15.266 ( -1.851 -0.453 -1.064) 2.182 15.709 ( 0.997 2.687 -0.350) 2.887 15.720 ( -0.651 2.106 -1.255) 2.536 15.874 ( 0.722 0.045 0.527) 0.896 15.887 ( -0.546 -0.859 -0.630) 1.197 16.562 ( 0.289 1.149 1.286) 1.749 16.582 ( -0.989 -0.585 -0.535) 1.267 16.844 ( -0.102 0.571 0.594) 0.830 16.856 ( 0.313 -0.407 -0.439) 0.675 17.086 ( -0.566 0.143 0.448) 0.736 17.107 ( -0.169 -1.700 -1.481) 2.261 17.618 ( -1.660 6.319 5.569) 8.585 17.725 ( 2.024 -3.165 -4.501) 5.863 18.035 ( 0.355 2.409 0.089) 2.437 18.059 ( 0.614 1.224 -1.708) 2.189 18.176 ( 1.050 -0.021 1.327) 1.692 18.202 ( -0.480 -1.120 -0.674) 1.392 18.294 ( 2.090 -1.806 0.688) 2.847 18.304 ( -4.766 -2.053 0.323) 5.199 18.458 ( 2.008 -0.213 0.104) 2.022 18.464 ( -1.382 -0.674 -0.640) 1.666 18.579 ( 1.072 1.961 0.575) 2.307 18.616 ( 0.174 -0.245 -3.136) 3.150 18.743 ( -0.032 -3.141 1.982) 3.714 18.797 ( 0.389 -6.166 -2.740) 6.759 19.028 ( -0.954 2.143 0.280) 2.363 19.056 ( -0.647 -0.420 -2.336) 2.460 20.189 ( 0.084 4.221 6.409) 7.675 20.271 ( 0.911 -3.131 -1.685) 3.671 ======================= Grid point 85 (49/54) ======================= q-point: ( 0.14 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -2.087 2.344 -3.282) 4.541 0.839 ( -4.092 -1.836 1.200) 4.643 0.914 ( 4.153 0.820 0.388) 4.251 1.025 ( 3.388 4.562 -3.068) 6.458 1.078 ( -0.208 -6.411 2.066) 6.739 1.107 ( 2.508 0.343 1.078) 2.752 1.162 ( -2.649 -1.907 -1.871) 3.763 1.175 ( -3.104 -2.088 0.605) 3.789 1.247 ( 1.391 0.463 -1.662) 2.216 1.284 ( 0.754 -1.893 -0.117) 2.041 1.335 ( 3.518 0.641 -1.051) 3.727 1.386 ( 3.000 -3.200 0.030) 4.387 1.457 ( -4.853 0.990 4.873) 6.948 1.481 ( -4.355 -1.067 4.510) 6.359 1.574 ( 3.038 1.808 -1.888) 4.007 1.605 ( 2.342 -1.016 -0.150) 2.557 1.672 ( -3.376 -0.271 -0.461) 3.418 1.694 ( -2.039 -2.017 0.362) 2.891 1.739 ( -1.852 3.092 -0.018) 3.604 1.775 ( 3.100 2.076 -4.026) 5.489 1.808 ( -3.406 -2.802 0.546) 4.445 1.839 ( 4.206 -2.945 -5.332) 7.402 1.944 ( 1.939 1.458 -0.661) 2.515 1.967 ( 2.329 0.208 0.328) 2.361 2.029 ( -0.502 2.951 2.278) 3.761 2.058 ( -0.672 0.670 0.019) 0.950 2.220 ( 0.344 4.681 -0.454) 4.715 2.240 ( -0.275 0.678 -1.687) 1.839 2.266 ( 0.177 -1.480 0.062) 1.492 2.300 ( 1.897 -1.173 -1.572) 2.729 2.422 ( 0.364 6.201 -0.839) 6.268 2.451 ( 0.649 0.718 -1.187) 1.532 2.475 ( -0.508 -1.267 0.830) 1.598 2.561 ( 1.810 -4.999 1.368) 5.490 2.618 ( 3.606 -0.008 2.917) 4.638 2.634 ( 3.461 -2.639 -0.599) 4.393 2.718 ( 0.636 -0.963 -0.472) 1.246 2.730 ( 0.197 -2.349 1.260) 2.673 2.879 ( 0.625 3.522 1.108) 3.745 2.921 ( 3.361 0.094 1.421) 3.650 2.948 ( 3.076 0.943 -0.493) 3.255 2.965 ( 0.863 -0.756 -0.178) 1.161 3.061 ( 0.804 -1.324 -1.084) 1.891 3.065 ( -0.239 -2.762 1.587) 3.194 3.229 ( -0.373 -0.099 -3.285) 3.307 3.258 ( 1.753 -2.412 -1.887) 3.529 3.375 ( -1.629 1.467 -1.645) 2.741 3.407 ( -1.727 -1.563 2.425) 3.363 3.513 ( -7.192 1.597 -0.689) 7.399 3.569 ( -6.522 -3.399 1.342) 7.476 3.632 ( -3.881 4.235 -0.474) 5.764 3.694 ( -1.437 -0.862 0.261) 1.696 3.710 ( 1.746 1.724 2.075) 3.213 3.721 ( 1.946 -0.018 -0.194) 1.956 3.886 ( -1.155 0.458 0.469) 1.328 3.900 ( -3.456 -2.542 1.908) 4.695 3.993 ( -0.946 0.077 -3.105) 3.247 4.007 ( -3.014 0.474 -2.268) 3.801 4.050 ( -2.008 1.553 4.953) 5.566 4.119 ( -4.755 -2.828 3.045) 6.315 4.265 ( 1.740 2.053 -2.344) 3.569 4.282 ( -0.553 3.407 -1.956) 3.967 4.355 ( 3.074 0.130 -2.840) 4.187 4.390 ( 3.296 -1.706 -1.490) 3.999 4.391 ( 0.682 0.034 2.994) 3.071 4.464 ( 0.882 -3.395 0.210) 3.514 4.498 ( 5.842 -1.370 2.595) 6.537 4.520 ( 3.894 -1.471 -0.221) 4.168 4.782 ( -1.994 0.517 -1.724) 2.686 4.787 ( -0.826 -0.136 -1.016) 1.316 4.990 ( -2.681 2.486 -2.192) 4.263 5.050 ( -1.154 -2.177 -1.822) 3.064 5.091 ( -1.244 1.323 2.566) 3.144 5.125 ( 0.998 0.556 -0.309) 1.184 5.148 ( -1.038 0.934 1.131) 1.797 5.165 ( 1.625 2.088 -0.299) 2.663 5.320 ( -0.455 1.200 -2.512) 2.821 5.358 ( -2.772 1.177 -0.790) 3.114 5.380 ( 1.027 -1.590 -1.014) 2.147 5.429 ( -1.202 -2.697 1.341) 3.243 5.581 ( -0.035 -0.107 1.221) 1.227 5.602 ( 0.532 -1.762 1.367) 2.292 5.750 ( -6.389 1.162 1.323) 6.627 5.775 ( -5.618 -1.156 0.456) 5.753 5.860 ( -3.136 0.536 0.701) 3.258 5.899 ( -0.423 -2.730 -0.040) 2.763 5.987 ( 1.100 3.592 -0.033) 3.756 6.053 ( 1.199 -2.202 0.149) 2.512 6.106 ( 0.790 4.490 0.595) 4.598 6.176 ( 0.129 -2.385 0.305) 2.408 6.199 ( 2.949 -1.440 3.678) 4.929 6.219 ( 5.076 -3.301 -4.481) 7.533 6.385 ( -1.964 2.300 -0.366) 3.047 6.457 ( 0.867 -0.706 -1.512) 1.880 6.544 ( -1.402 -0.016 2.214) 2.621 6.602 ( -0.332 -1.483 0.937) 1.785 6.677 ( -1.767 -2.430 2.831) 4.128 6.682 ( -4.432 -0.944 1.462) 4.762 6.769 ( 3.380 5.227 -0.413) 6.238 6.859 ( 4.323 -3.484 -1.865) 5.857 6.953 ( -4.859 2.106 1.723) 5.569 7.007 ( -3.194 -3.039 0.124) 4.411 7.057 ( -1.643 4.308 -0.414) 4.629 7.117 ( 0.647 -1.568 -0.162) 1.704 7.159 ( -0.727 1.152 2.241) 2.622 7.217 ( 1.696 -2.625 1.791) 3.602 7.330 ( 4.494 1.261 0.041) 4.667 7.351 ( 2.018 -1.230 -1.194) 2.648 7.503 ( -3.148 9.397 0.953) 9.957 7.625 ( 1.850 4.620 -0.900) 5.057 7.704 ( -0.130 -1.651 1.196) 2.042 7.761 ( 3.655 -1.058 -0.600) 3.852 7.999 ( -3.215 3.072 1.029) 4.564 8.019 ( -3.480 4.137 -1.172) 5.532 8.089 ( -0.764 -2.025 -1.481) 2.622 8.134 ( -1.293 -2.474 -0.362) 2.815 8.203 ( -0.916 4.725 -3.988) 6.251 8.310 ( 2.946 2.597 0.098) 3.929 8.352 ( -1.493 -6.521 -1.279) 6.811 8.404 ( -3.799 5.256 -0.431) 6.500 8.451 ( 0.367 -6.760 -3.423) 7.587 8.496 ( -4.681 -5.395 1.591) 7.318 8.530 ( 2.649 -0.549 -0.472) 2.746 8.607 ( -2.386 -7.374 -2.841) 8.254 8.863 ( -0.618 0.742 0.745) 1.220 8.904 ( 0.631 -2.651 1.830) 3.283 9.072 ( 1.681 6.776 2.273) 7.342 9.139 ( 2.543 0.681 0.261) 2.645 9.181 ( -0.612 -3.805 -0.080) 3.855 9.227 ( 3.012 -6.596 2.676) 7.729 9.478 ( 0.249 4.004 -1.475) 4.274 9.532 ( 3.508 -1.110 -2.098) 4.236 9.682 ( -1.336 4.019 -0.429) 4.257 9.737 ( 0.522 -0.434 -1.282) 1.451 9.806 ( -1.370 0.436 0.803) 1.646 9.813 ( -0.936 0.991 1.813) 2.268 9.926 ( -2.249 1.629 2.976) 4.070 9.978 ( -0.573 -1.214 1.141) 1.762 10.111 ( -3.058 1.503 -3.417) 4.826 10.141 ( -1.069 -0.590 -0.087) 1.224 10.175 ( -0.288 3.332 -5.613) 6.533 10.260 ( -1.770 -2.649 -3.766) 4.933 10.386 ( -0.349 3.069 6.560) 7.250 10.452 ( 1.574 -1.286 2.981) 3.608 10.504 ( -1.219 3.825 2.893) 4.949 10.616 ( -1.249 -3.848 1.286) 4.245 10.715 ( 8.499 1.912 0.224) 8.714 10.779 ( 6.503 -2.148 0.895) 6.907 10.946 ( -1.788 1.187 0.941) 2.343 10.990 ( -2.827 -2.536 -0.142) 3.801 11.060 ( 4.431 2.876 -1.492) 5.490 11.107 ( 3.671 -1.757 0.126) 4.072 11.391 ( -1.717 3.815 -0.308) 4.195 11.435 ( -0.563 0.418 0.908) 1.147 11.514 ( -0.061 1.506 -0.294) 1.535 11.544 ( 1.240 -0.728 -0.662) 1.583 11.841 ( -7.273 5.434 -1.695) 9.236 11.908 ( -4.210 0.938 0.872) 4.400 12.002 ( -1.592 -2.062 0.563) 2.665 12.049 ( -1.877 -4.161 -0.405) 4.583 12.168 ( -1.434 5.079 -0.532) 5.305 12.276 ( 1.181 -3.851 1.354) 4.249 12.328 ( 0.836 1.125 -0.194) 1.415 12.362 ( 2.292 -2.480 -1.592) 3.734 12.545 ( 1.028 1.408 -0.040) 1.743 12.596 ( -0.947 -2.171 0.242) 2.381 12.685 ( 6.175 1.484 1.057) 6.438 12.763 ( 6.894 -5.160 -0.267) 8.615 12.980 ( -2.976 3.770 -3.673) 6.047 13.047 ( -1.329 -1.497 -1.661) 2.602 13.182 ( 2.993 1.499 0.494) 3.384 13.231 ( 3.135 -2.082 3.184) 4.930 14.687 ( -5.425 2.245 -2.547) 6.400 14.714 ( -4.984 -0.110 1.277) 5.146 15.294 ( 5.791 2.805 0.100) 6.436 15.353 ( 9.586 -2.710 1.259) 10.041 15.684 ( -1.768 2.805 0.029) 3.316 15.707 ( -0.616 0.868 -0.078) 1.067 15.906 ( 4.251 1.156 -0.106) 4.407 15.935 ( 4.819 -1.317 0.180) 4.999 16.609 ( 5.275 1.686 -0.745) 5.588 16.638 ( 6.398 -0.705 1.279) 6.562 16.838 ( -0.442 1.544 -0.061) 1.608 16.872 ( 1.615 -1.404 -0.192) 2.148 17.064 ( -3.660 -0.485 0.969) 3.817 17.074 ( -2.790 -1.244 0.370) 3.077 17.609 ( -7.864 2.705 1.695) 8.487 17.630 ( -5.650 0.752 -2.680) 6.298 18.022 ( 0.042 3.736 0.261) 3.745 18.070 ( 0.725 2.732 -0.316) 2.844 18.122 ( -2.197 -2.791 0.135) 3.555 18.197 ( -3.590 -6.251 -1.147) 7.299 18.316 ( 5.117 4.022 1.461) 6.670 18.382 ( 4.213 -2.298 0.617) 4.838 18.444 ( 0.148 2.026 -0.363) 2.063 18.507 ( 3.103 -2.898 0.000) 4.246 18.575 ( -0.102 1.001 -1.741) 2.011 18.598 ( -0.249 0.364 1.562) 1.623 18.745 ( -1.410 -4.021 -2.327) 4.856 18.772 ( -0.599 -5.564 2.323) 6.059 19.064 ( 3.617 1.129 0.120) 3.791 19.070 ( 3.245 0.615 2.692) 4.261 20.154 ( -8.901 1.443 -4.856) 10.241 20.174 ( -9.690 -0.364 1.198) 9.771 ======================= Grid point 86 (50/54) ======================= q-point: ( 0.29 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 1.503 -2.727 -1.014) 3.275 0.770 ( -0.352 -8.706 -3.504) 9.391 0.943 ( -0.587 6.484 -3.746) 7.512 0.995 ( 1.888 5.342 -0.394) 5.679 1.065 ( -2.395 -3.869 -1.402) 4.762 1.107 ( 0.989 -3.043 -0.653) 3.266 1.154 ( 0.985 -0.853 0.486) 1.391 1.182 ( 2.067 -2.192 0.594) 3.070 1.283 ( -1.371 2.365 2.865) 3.960 1.298 ( 1.335 1.682 -0.825) 2.301 1.368 ( 0.792 -2.579 -2.258) 3.518 1.379 ( 1.975 -2.403 -1.309) 3.375 1.433 ( -5.011 -0.289 0.568) 5.051 1.467 ( -4.437 -1.829 1.668) 5.081 1.571 ( -0.811 2.261 -1.059) 2.625 1.588 ( 0.134 0.349 -1.994) 2.028 1.654 ( -0.603 -0.842 -1.458) 1.788 1.668 ( -0.582 -1.227 0.314) 1.394 1.720 ( 0.871 1.037 -0.801) 1.573 1.739 ( 0.004 -1.007 -2.259) 2.473 1.808 ( 1.715 1.578 1.463) 2.751 1.861 ( 4.697 -3.326 -0.821) 5.814 1.983 ( 4.494 2.810 -0.882) 5.373 2.014 ( 0.974 -0.548 2.311) 2.567 2.062 ( 1.544 1.947 0.417) 2.519 2.083 ( 2.668 1.100 2.094) 3.565 2.194 ( -2.512 1.721 0.205) 3.052 2.225 ( 2.058 2.580 -1.563) 3.652 2.246 ( -3.254 -2.282 -0.016) 3.974 2.302 ( 2.792 -2.458 -2.623) 4.551 2.437 ( 0.289 4.031 -0.244) 4.049 2.464 ( 0.969 5.831 1.902) 6.210 2.518 ( 0.763 -1.661 1.729) 2.516 2.585 ( -1.860 -1.777 -3.962) 4.724 2.617 ( 0.515 -1.745 2.328) 2.955 2.664 ( -0.069 -3.789 0.447) 3.816 2.727 ( 1.014 0.448 -2.289) 2.543 2.748 ( -0.208 -1.763 0.376) 1.815 2.879 ( 0.026 4.335 -0.669) 4.386 2.952 ( -1.287 0.783 0.009) 1.507 2.975 ( 2.642 -1.911 1.841) 3.744 3.010 ( -1.812 -3.139 -2.278) 4.281 3.107 ( 7.581 0.955 0.669) 7.670 3.127 ( 5.907 -0.524 1.328) 6.077 3.215 ( 2.402 -0.954 0.424) 2.620 3.250 ( 1.802 -3.490 -3.485) 5.251 3.315 ( -2.289 1.460 -2.983) 4.034 3.369 ( -3.018 -2.509 -1.296) 4.133 3.431 ( -5.417 2.585 3.588) 6.993 3.518 ( -5.417 -4.817 5.267) 8.960 3.583 ( -1.512 2.511 0.903) 3.067 3.630 ( -2.069 -1.438 -1.552) 2.959 3.755 ( -0.758 2.756 1.951) 3.461 3.767 ( 0.955 1.141 1.958) 2.459 3.861 ( -1.379 1.008 -0.356) 1.745 3.881 ( 0.635 -2.517 0.152) 2.601 3.946 ( -0.923 -0.181 -3.496) 3.620 3.971 ( -3.492 -4.171 -1.829) 5.739 4.043 ( -2.711 1.779 3.002) 4.419 4.083 ( -2.880 -1.826 2.824) 4.427 4.232 ( 0.537 1.955 -3.719) 4.235 4.256 ( -0.011 1.003 -1.629) 1.913 4.375 ( 2.796 2.562 -1.593) 4.114 4.405 ( -1.226 2.194 0.974) 2.695 4.447 ( -0.163 -1.309 1.590) 2.065 4.484 ( 1.210 -3.414 -0.468) 3.652 4.554 ( 1.626 -0.606 1.109) 2.060 4.594 ( 1.879 -2.507 2.334) 3.907 4.735 ( -0.199 2.811 -1.441) 3.165 4.780 ( 3.225 -1.339 -2.712) 4.421 4.926 ( -0.968 3.295 -3.088) 4.619 4.997 ( -0.534 -3.087 -3.233) 4.502 5.094 ( -1.743 1.152 1.013) 2.322 5.121 ( -3.200 1.206 0.209) 3.426 5.157 ( -0.158 0.676 3.204) 3.279 5.190 ( 0.079 0.496 1.343) 1.434 5.307 ( 2.300 1.515 -3.256) 4.264 5.322 ( 2.436 0.462 -2.473) 3.501 5.393 ( 1.913 -0.954 0.225) 2.149 5.400 ( -1.562 -1.166 1.040) 2.209 5.551 ( -4.607 0.211 -0.904) 4.700 5.592 ( -3.899 -2.631 -1.946) 5.090 5.681 ( -5.309 0.325 0.734) 5.370 5.701 ( -3.256 -1.534 3.430) 4.972 5.829 ( -2.772 2.095 1.587) 3.820 5.896 ( 0.158 -4.030 -0.342) 4.048 6.016 ( 3.447 4.907 -2.135) 6.365 6.094 ( 3.462 -1.780 -1.843) 4.307 6.113 ( -0.924 3.165 3.117) 4.537 6.189 ( -1.954 -3.550 2.400) 4.710 6.236 ( 2.735 0.860 -1.409) 3.195 6.279 ( 1.822 -3.110 0.745) 3.681 6.375 ( -0.315 3.583 2.441) 4.347 6.440 ( -0.197 0.011 -0.276) 0.339 6.581 ( -1.539 0.853 3.606) 4.012 6.592 ( -2.903 -0.139 2.176) 3.631 6.656 ( -1.281 -0.309 2.937) 3.219 6.725 ( -0.395 -5.093 4.533) 6.830 6.822 ( 3.732 3.383 -1.317) 5.206 6.873 ( -0.562 -1.029 -0.648) 1.340 6.929 ( -1.052 1.906 2.205) 3.099 6.981 ( -2.948 -1.771 1.188) 3.638 7.014 ( 0.027 1.298 -1.479) 1.968 7.073 ( -4.759 -3.814 0.936) 6.170 7.215 ( -0.334 2.599 3.317) 4.227 7.245 ( -0.964 -0.934 2.144) 2.530 7.324 ( -3.086 2.558 0.459) 4.035 7.407 ( 4.677 -4.402 -0.303) 6.429 7.541 ( 2.526 7.560 1.797) 8.171 7.633 ( -2.176 1.650 3.708) 4.605 7.723 ( 1.912 8.742 -0.617) 8.970 7.790 ( 5.392 2.169 -6.432) 8.668 7.904 ( -4.111 0.701 -5.288) 6.734 7.972 ( -3.551 -3.581 -0.633) 5.083 8.040 ( -0.052 2.326 -1.104) 2.575 8.105 ( -1.737 -1.531 -0.147) 2.321 8.129 ( 1.237 1.105 -4.533) 4.827 8.266 ( -1.875 -2.618 -3.849) 5.018 8.331 ( -3.270 0.795 0.123) 3.367 8.350 ( 0.628 -6.665 -2.104) 7.017 8.410 ( 0.095 -1.577 -1.341) 2.073 8.484 ( -1.239 -3.018 0.046) 3.263 8.551 ( -3.089 -3.855 1.670) 5.215 8.573 ( 3.142 -6.388 -0.413) 7.131 8.837 ( -1.578 1.481 -1.068) 2.413 8.897 ( -1.297 -3.450 -1.200) 3.876 9.149 ( 0.513 2.459 2.175) 3.323 9.160 ( -0.477 -0.427 2.613) 2.691 9.200 ( 3.986 3.671 -0.455) 5.438 9.335 ( 6.525 -5.315 0.628) 8.439 9.469 ( 1.963 4.196 -2.283) 5.165 9.553 ( 3.836 -3.759 -3.277) 6.292 9.665 ( -0.954 5.062 0.853) 5.221 9.725 ( 0.510 -0.203 0.130) 0.564 9.811 ( -2.453 -0.263 2.627) 3.604 9.817 ( -0.892 -1.071 2.383) 2.760 9.915 ( -2.367 2.679 -3.733) 5.169 9.956 ( -5.364 0.354 0.103) 5.376 10.024 ( -0.577 3.240 0.978) 3.434 10.099 ( 0.174 -4.222 -1.270) 4.412 10.134 ( -0.437 1.300 -2.129) 2.532 10.209 ( -0.065 -3.938 -2.284) 4.553 10.390 ( -4.287 5.401 3.734) 7.842 10.469 ( -3.378 -1.248 2.594) 4.438 10.619 ( 4.080 3.769 5.338) 7.704 10.672 ( 1.681 -0.412 2.986) 3.451 10.816 ( 1.969 2.109 1.487) 3.246 10.869 ( 2.704 -1.836 -0.319) 3.284 10.987 ( 3.167 0.494 1.210) 3.426 11.015 ( 7.188 -2.068 2.984) 8.052 11.105 ( 3.243 3.712 0.021) 4.929 11.170 ( 2.945 -2.589 1.944) 4.377 11.346 ( -2.166 3.135 -1.721) 4.180 11.390 ( -3.397 -0.655 -1.311) 3.700 11.513 ( 0.245 1.412 -1.843) 2.335 11.539 ( 0.578 -0.809 -2.686) 2.864 11.710 ( -6.750 6.282 -0.587) 9.239 11.844 ( -6.531 -5.441 0.527) 8.516 11.962 ( -3.053 0.590 -0.933) 3.246 11.995 ( -3.467 -1.971 1.056) 4.125 12.191 ( 0.590 6.481 3.362) 7.325 12.290 ( -0.273 -0.985 1.344) 1.689 12.334 ( 0.503 1.391 -0.352) 1.521 12.374 ( 1.223 -3.770 -0.689) 4.023 12.584 ( 4.038 -0.209 -1.369) 4.269 12.613 ( 2.412 -2.659 0.348) 3.607 12.778 ( 3.314 1.897 -1.399) 4.067 12.840 ( 3.272 -3.484 -1.684) 5.068 12.913 ( 2.254 2.347 -1.951) 3.794 12.982 ( 0.458 -3.427 -3.184) 4.700 13.263 ( 3.159 3.120 2.299) 5.000 13.304 ( 1.410 -0.314 1.632) 2.179 14.571 ( -4.637 2.653 -1.461) 5.538 14.627 ( -6.176 -2.476 0.028) 6.654 15.406 ( 6.023 5.403 0.935) 8.145 15.510 ( 6.702 -4.450 -0.899) 8.095 15.686 ( 1.566 3.188 1.849) 4.004 15.738 ( 4.876 -1.556 1.929) 5.470 15.983 ( 4.380 2.057 0.284) 4.848 16.014 ( 4.781 -1.098 0.401) 4.921 16.686 ( 5.917 3.270 -1.224) 6.870 16.758 ( 5.813 -3.077 0.907) 6.639 16.840 ( 0.302 2.028 0.718) 2.173 16.893 ( 1.144 -2.511 0.384) 2.786 17.019 ( -4.453 -0.288 1.788) 4.807 17.040 ( -1.539 -1.840 0.835) 2.539 17.436 ( -7.607 4.591 -5.019) 10.205 17.505 ( -10.763 -1.381 -0.040) 10.851 18.056 ( 0.367 2.494 2.768) 3.744 18.078 ( 0.638 1.131 0.731) 1.490 18.121 ( -1.129 -2.230 1.796) 3.078 18.153 ( 0.777 -3.781 -0.853) 3.953 18.366 ( 0.570 3.053 -0.450) 3.139 18.408 ( 0.162 -0.105 -1.949) 1.959 18.446 ( 2.284 3.007 -2.032) 4.288 18.521 ( 0.181 -1.013 -0.464) 1.129 18.580 ( 1.539 0.541 0.567) 1.727 18.656 ( 0.625 -4.610 4.539) 6.499 18.719 ( -0.316 0.190 1.542) 1.586 18.803 ( 0.809 -5.830 2.338) 6.333 19.142 ( 5.392 2.281 0.197) 5.858 19.177 ( 4.988 -0.927 2.738) 5.765 19.894 ( -11.957 3.596 -7.760) 14.701 19.959 ( -14.632 -2.097 -3.850) 15.274 ======================= Grid point 87 (51/54) ======================= q-point: ( 0.43 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( -0.534 -6.337 0.338) 6.368 0.735 ( 1.774 -9.160 -3.269) 9.887 0.934 ( 2.901 4.702 0.167) 5.527 1.035 ( 2.804 3.758 -0.974) 4.789 1.061 ( 2.164 -4.557 1.649) 5.307 1.074 ( -2.996 0.582 -1.281) 3.309 1.167 ( -2.107 1.383 0.809) 2.647 1.207 ( -1.304 -2.040 2.819) 3.715 1.251 ( 1.492 0.286 -3.549) 3.860 1.315 ( -2.127 -2.954 -1.409) 3.903 1.331 ( 1.343 1.612 -0.012) 2.098 1.359 ( -2.733 1.671 -0.524) 3.246 1.395 ( 0.571 -3.375 -1.152) 3.612 1.420 ( -1.049 -2.146 -0.980) 2.582 1.545 ( -1.342 -0.790 -1.147) 1.934 1.554 ( -0.009 -1.115 -2.373) 2.622 1.633 ( -0.113 1.467 -0.386) 1.521 1.664 ( -0.039 -1.446 -1.137) 1.840 1.706 ( -0.434 0.950 -0.062) 1.046 1.730 ( 0.958 -0.455 -1.182) 1.588 1.885 ( 1.824 2.848 4.400) 5.550 1.939 ( 2.356 -2.536 2.751) 4.421 2.026 ( 1.555 1.117 -0.477) 1.973 2.059 ( -0.742 -1.537 1.230) 2.104 2.073 ( 2.384 5.662 -1.953) 6.446 2.136 ( 0.712 -0.203 -1.363) 1.551 2.179 ( -1.115 -0.883 0.028) 1.423 2.189 ( -0.335 -0.605 -0.635) 0.939 2.259 ( 3.397 3.432 1.316) 5.005 2.339 ( 3.754 -2.968 0.469) 4.808 2.427 ( -1.876 4.396 -0.561) 4.813 2.454 ( -0.242 2.386 -3.426) 4.182 2.492 ( -1.611 0.093 -2.261) 2.778 2.513 ( -3.637 -1.059 0.291) 3.799 2.640 ( -0.895 0.709 2.383) 2.642 2.691 ( 2.408 -2.974 -0.123) 3.828 2.700 ( 1.211 1.107 -1.753) 2.401 2.746 ( -0.828 -1.677 -0.178) 1.879 2.890 ( 0.108 1.216 1.136) 1.667 2.936 ( -1.260 -1.093 -0.417) 1.719 2.990 ( 2.382 3.016 1.359) 4.076 3.050 ( 2.530 -2.133 2.535) 4.169 3.128 ( -1.292 -1.062 -2.574) 3.070 3.155 ( 0.014 -1.969 -1.022) 2.219 3.239 ( -1.519 -0.981 0.906) 2.023 3.250 ( -0.665 -0.736 -1.634) 1.911 3.294 ( 1.360 -1.549 -1.062) 2.319 3.307 ( 0.685 -1.782 -2.183) 2.900 3.481 ( 2.116 2.585 5.019) 6.029 3.541 ( -0.204 -0.279 1.595) 1.632 3.601 ( -1.562 -0.351 0.688) 1.743 3.614 ( 0.736 -0.223 4.603) 4.667 3.757 ( 0.404 1.086 0.077) 1.161 3.785 ( -0.692 0.322 0.377) 0.851 3.821 ( -4.298 0.286 -1.843) 4.685 3.864 ( -1.838 -3.994 -2.659) 5.139 3.900 ( 1.346 0.334 -1.222) 1.848 3.923 ( 2.971 -0.525 -0.210) 3.024 4.013 ( -4.700 3.658 0.815) 6.012 4.087 ( -3.278 -3.114 0.473) 4.546 4.218 ( 1.789 0.880 0.203) 2.005 4.246 ( 0.239 -2.228 0.741) 2.361 4.346 ( -0.837 3.946 -0.836) 4.120 4.410 ( -1.053 -2.568 -2.571) 3.783 4.452 ( 3.930 2.241 1.507) 4.768 4.515 ( 2.717 -2.314 0.057) 3.570 4.611 ( 0.807 -0.486 2.181) 2.376 4.632 ( -0.539 -1.949 1.285) 2.396 4.699 ( -2.536 3.643 -1.908) 4.832 4.754 ( -1.900 -0.747 -4.281) 4.743 4.907 ( 0.848 1.810 2.135) 2.924 4.959 ( 0.217 -3.431 -0.435) 3.465 5.063 ( -2.124 2.536 0.106) 3.309 5.080 ( 0.005 0.307 -1.776) 1.802 5.182 ( 1.974 0.029 -2.990) 3.582 5.195 ( -1.529 -0.931 -0.111) 1.794 5.311 ( 3.230 1.146 -1.263) 3.653 5.336 ( 3.142 -0.840 -1.298) 3.502 5.411 ( -3.178 0.121 0.048) 3.181 5.439 ( -3.772 -2.390 -1.118) 4.603 5.471 ( 3.421 2.941 2.026) 4.945 5.554 ( 3.717 -4.072 1.394) 5.687 5.619 ( -4.982 2.822 1.027) 5.817 5.687 ( -4.020 -3.218 0.919) 5.231 5.828 ( -1.273 2.321 2.549) 3.675 5.890 ( 0.381 -3.214 -1.098) 3.417 6.020 ( 1.399 3.307 -1.814) 4.023 6.064 ( -1.476 -0.171 -2.582) 2.979 6.169 ( -0.599 0.783 3.685) 3.815 6.193 ( -1.912 -1.486 2.405) 3.413 6.260 ( 2.613 1.677 -0.561) 3.155 6.285 ( 0.688 -2.140 -1.378) 2.636 6.426 ( 0.939 3.383 2.866) 4.532 6.452 ( -0.230 2.455 1.310) 2.792 6.582 ( -2.882 -1.749 3.715) 5.016 6.592 ( -1.355 -2.643 2.357) 3.792 6.726 ( 1.180 1.159 4.875) 5.148 6.758 ( -0.043 -1.491 0.865) 1.724 6.837 ( -0.901 1.172 -1.655) 2.219 6.849 ( -0.077 0.623 0.260) 0.680 6.925 ( -4.024 0.434 1.433) 4.294 6.938 ( -1.653 -0.056 -0.131) 1.659 7.043 ( 4.448 0.457 -0.540) 4.504 7.084 ( 3.260 -3.575 2.598) 5.491 7.193 ( -4.493 2.040 2.079) 5.354 7.265 ( -1.679 -3.755 3.818) 5.612 7.318 ( -0.421 5.557 0.463) 5.593 7.430 ( -0.245 -5.088 -1.659) 5.357 7.575 ( -1.435 4.243 2.089) 4.942 7.641 ( -1.055 -0.426 -1.971) 2.276 7.699 ( -0.139 5.008 -7.234) 8.800 7.776 ( 2.929 0.565 -4.657) 5.530 7.811 ( 2.504 2.495 0.826) 3.630 7.924 ( -1.245 -4.386 0.604) 4.599 8.030 ( -1.637 6.887 -2.980) 7.681 8.083 ( 3.412 3.572 1.081) 5.057 8.149 ( 2.019 -2.759 -0.669) 3.483 8.212 ( 0.041 -3.505 -1.918) 3.996 8.265 ( -3.329 -2.501 -1.538) 4.439 8.321 ( 0.014 -3.964 -3.264) 5.135 8.406 ( -1.507 0.352 1.850) 2.412 8.458 ( 0.303 -0.416 -1.888) 1.957 8.547 ( -1.938 -3.467 3.167) 5.080 8.597 ( 2.108 -7.489 -1.860) 7.999 8.807 ( -0.195 0.257 -0.902) 0.958 8.859 ( 0.154 -3.702 -2.686) 4.577 9.169 ( -0.559 0.132 1.313) 1.433 9.181 ( 0.439 -0.429 -0.032) 0.615 9.266 ( 1.649 6.565 3.320) 7.539 9.422 ( 1.884 -6.348 1.575) 6.807 9.449 ( 1.835 3.397 -4.877) 6.220 9.528 ( 0.370 -4.112 -4.003) 5.751 9.691 ( 1.086 5.315 2.238) 5.868 9.760 ( 0.618 1.323 0.960) 1.747 9.788 ( -2.187 -0.102 0.046) 2.190 9.812 ( -2.949 -0.113 1.340) 3.241 9.834 ( -2.192 3.780 -0.800) 4.442 9.939 ( 0.494 -3.294 2.727) 4.305 9.998 ( -0.044 4.184 -2.526) 4.888 10.109 ( -0.955 -5.334 1.908) 5.745 10.141 ( 2.845 0.044 0.293) 2.860 10.178 ( -0.683 -2.411 -1.699) 3.028 10.385 ( -1.210 3.978 1.627) 4.465 10.441 ( -2.711 -0.769 -0.028) 2.819 10.718 ( 0.265 1.825 4.131) 4.524 10.727 ( 0.451 0.984 2.758) 2.963 10.844 ( -0.173 1.075 1.241) 1.651 10.877 ( 0.233 -1.156 -0.607) 1.327 11.078 ( 4.484 3.129 0.453) 5.486 11.100 ( 0.848 1.463 -0.799) 1.870 11.210 ( 3.722 1.669 3.364) 5.287 11.240 ( 2.160 -0.688 3.218) 3.936 11.304 ( 0.031 2.005 -0.379) 2.041 11.341 ( -2.015 -0.979 0.751) 2.363 11.470 ( -1.098 0.866 -2.823) 3.150 11.485 ( -0.424 -0.078 -3.108) 3.138 11.634 ( -2.407 2.787 -0.609) 3.733 11.716 ( -5.737 -4.227 -3.367) 7.881 11.939 ( 0.054 0.651 0.456) 0.797 11.963 ( -2.029 -1.672 0.340) 2.651 12.252 ( -0.020 5.122 3.961) 6.475 12.307 ( -0.093 0.544 0.628) 0.836 12.350 ( 1.262 0.687 1.088) 1.802 12.387 ( 0.762 -2.717 0.227) 2.831 12.610 ( 1.488 0.783 -1.296) 2.123 12.640 ( 0.812 -1.437 -0.799) 1.834 12.760 ( 1.843 0.037 -2.651) 3.229 12.800 ( -2.210 -3.630 -2.946) 5.171 12.976 ( 4.164 0.683 0.711) 4.279 13.006 ( 3.104 -1.942 -0.408) 3.684 13.303 ( -0.544 1.777 0.548) 1.937 13.319 ( -0.637 0.524 0.301) 0.878 14.533 ( 0.237 1.834 0.870) 2.044 14.567 ( -2.487 -1.126 0.912) 2.878 15.458 ( 0.674 2.678 -0.202) 2.769 15.507 ( -0.701 -2.028 -2.795) 3.523 15.794 ( 5.552 5.055 3.846) 8.436 15.888 ( 7.235 -3.252 3.452) 8.651 16.000 ( -1.173 3.976 -2.219) 4.702 16.055 ( -0.953 -1.342 -0.404) 1.695 16.753 ( 3.938 2.526 0.199) 4.682 16.805 ( -0.341 -1.846 0.184) 1.886 16.870 ( 2.469 2.352 1.123) 3.591 16.923 ( 0.641 -0.890 1.041) 1.512 16.996 ( -1.830 0.141 3.088) 3.592 17.084 ( 3.431 -8.146 2.072) 9.079 17.260 ( -6.247 3.415 -4.889) 8.637 17.329 ( -7.069 -3.329 -3.713) 8.651 18.091 ( -0.626 1.132 3.037) 3.301 18.107 ( 0.420 -0.592 2.482) 2.586 18.141 ( 1.024 1.092 0.836) 1.714 18.166 ( 0.629 -1.417 -0.813) 1.751 18.354 ( -1.076 1.882 0.221) 2.179 18.373 ( -0.194 1.165 -1.625) 2.009 18.452 ( 1.981 0.840 -1.630) 2.699 18.510 ( 0.116 -1.949 -1.823) 2.672 18.616 ( 0.172 2.131 2.402) 3.215 18.681 ( -0.807 -2.859 0.327) 2.988 18.786 ( 0.448 0.061 5.226) 5.246 18.853 ( 1.685 -4.942 1.266) 5.373 19.209 ( 2.503 2.733 0.519) 3.742 19.263 ( 1.161 -2.419 1.138) 2.915 19.644 ( -5.482 4.536 -5.996) 9.305 19.703 ( -6.541 -0.940 -6.427) 9.218 ======================= Grid point 88 (52/54) ======================= q-point: (-0.43 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -1.872 -7.061 1.259) 7.413 0.738 ( 3.484 -10.115 -2.729) 11.041 0.948 ( -5.695 5.516 1.525) 8.074 0.977 ( -4.216 5.077 -0.554) 6.622 1.067 ( -1.038 -2.926 1.749) 3.564 1.097 ( 0.202 -4.900 -2.370) 5.446 1.150 ( -1.548 4.060 2.786) 5.162 1.220 ( 1.882 0.756 -0.114) 2.032 1.259 ( 1.060 -2.075 -0.683) 2.428 1.278 ( -0.210 -1.470 -2.100) 2.572 1.348 ( 1.470 0.492 0.091) 1.553 1.351 ( 2.931 -0.361 -0.583) 3.010 1.387 ( 0.026 -1.260 1.508) 1.965 1.414 ( 1.977 -2.115 -1.405) 3.219 1.508 ( -1.992 -0.884 0.912) 2.363 1.539 ( 0.940 -3.123 -0.566) 3.310 1.630 ( -1.760 0.338 0.356) 1.827 1.636 ( -1.029 0.075 0.564) 1.176 1.708 ( -1.089 0.885 0.762) 1.596 1.724 ( 0.270 -0.524 -0.815) 1.006 1.928 ( -5.585 5.255 3.035) 8.247 1.988 ( -0.630 0.101 -0.187) 0.665 2.013 ( 1.079 2.018 -1.087) 2.533 2.039 ( 2.673 -0.792 -2.373) 3.661 2.100 ( 1.709 0.863 0.709) 2.042 2.120 ( 3.298 -0.796 -0.969) 3.528 2.178 ( -0.349 -0.004 -1.281) 1.327 2.192 ( 2.171 -0.357 -1.580) 2.708 2.327 ( -2.149 1.202 -1.519) 2.893 2.346 ( 0.170 -0.009 -0.060) 0.180 2.358 ( -5.094 2.069 0.535) 5.525 2.427 ( 1.997 -0.474 -0.444) 2.100 2.461 ( -1.747 1.586 1.805) 2.971 2.513 ( 2.977 -1.195 0.508) 3.248 2.658 ( -0.606 2.926 1.711) 3.443 2.692 ( 1.575 1.712 -2.186) 3.192 2.712 ( -1.002 -1.836 -1.094) 2.360 2.745 ( 2.650 -2.659 -0.138) 3.757 2.897 ( -2.555 0.001 1.621) 3.026 2.922 ( -0.179 -2.182 0.169) 2.196 3.038 ( -3.047 3.227 -2.383) 5.038 3.062 ( 1.542 1.907 2.711) 3.656 3.104 ( -2.928 -2.543 -1.160) 4.048 3.118 ( -0.700 -2.836 1.146) 3.138 3.233 ( -0.683 -0.616 -0.043) 0.921 3.242 ( -0.340 -1.254 1.292) 1.832 3.283 ( 1.342 -0.018 -1.238) 1.826 3.315 ( 3.682 -2.246 -2.373) 4.922 3.519 ( -2.228 0.745 0.939) 2.530 3.545 ( 0.678 -1.061 -0.503) 1.356 3.635 ( -0.094 4.091 2.976) 5.059 3.648 ( 0.383 3.809 -1.279) 4.036 3.757 ( -0.750 -0.463 -0.236) 0.913 3.775 ( 2.025 -1.412 1.804) 3.058 3.797 ( -0.647 -3.780 0.290) 3.846 3.818 ( 0.215 -4.038 -0.525) 4.077 3.910 ( -1.939 2.110 -0.266) 2.878 3.935 ( -0.748 0.370 -0.923) 1.244 4.019 ( 0.823 0.776 -0.609) 1.284 4.035 ( 3.508 -0.176 4.188) 5.466 4.244 ( -0.665 0.704 -1.613) 1.882 4.264 ( 2.029 -0.936 -0.506) 2.291 4.369 ( 0.926 -0.804 -2.723) 2.986 4.378 ( 2.997 -1.619 1.360) 3.668 4.496 ( -2.762 2.404 -3.288) 4.921 4.522 ( 2.179 0.341 -0.514) 2.264 4.596 ( -5.610 -0.022 2.501) 6.142 4.630 ( -2.182 -1.104 1.315) 2.776 4.683 ( 1.298 -0.592 -0.349) 1.468 4.701 ( 4.154 -2.043 1.229) 4.789 4.951 ( -0.442 0.578 1.301) 1.491 4.963 ( 0.277 -0.040 -1.600) 1.625 5.053 ( -2.125 1.538 0.998) 2.807 5.060 ( -1.577 0.872 -0.020) 1.802 5.127 ( -3.241 0.980 -1.428) 3.675 5.170 ( 2.103 -2.158 0.341) 3.033 5.316 ( -3.778 0.748 -0.680) 3.911 5.349 ( -0.065 -1.318 -1.699) 2.151 5.403 ( 4.508 -0.938 -0.322) 4.615 5.414 ( 5.951 -1.619 1.015) 6.250 5.524 ( -4.378 3.186 -1.110) 5.527 5.581 ( -0.602 -0.044 -0.572) 0.831 5.629 ( 2.240 -0.344 -0.072) 2.268 5.675 ( 4.662 -2.661 1.613) 5.606 5.848 ( -0.638 1.234 2.424) 2.793 5.883 ( 1.544 -1.716 -1.875) 2.974 5.998 ( -3.176 2.477 0.375) 4.045 6.040 ( 1.837 -1.111 -0.344) 2.175 6.181 ( -3.045 0.688 2.512) 4.007 6.200 ( -2.329 -0.870 2.858) 3.788 6.262 ( 0.721 0.872 -1.980) 2.281 6.298 ( 2.959 -1.109 -1.985) 3.732 6.446 ( -1.514 3.583 0.569) 3.932 6.462 ( -0.160 2.512 0.454) 2.558 6.602 ( -0.934 -1.893 1.971) 2.888 6.613 ( 0.404 -2.836 1.628) 3.296 6.760 ( -2.775 2.231 0.444) 3.589 6.795 ( 0.954 0.419 0.478) 1.146 6.805 ( -1.308 0.589 3.381) 3.673 6.819 ( -0.127 -0.698 -1.552) 1.707 6.929 ( 2.200 1.099 0.688) 2.553 6.949 ( 3.738 -0.567 -0.411) 3.803 7.100 ( 1.448 -0.802 -5.764) 5.997 7.114 ( 5.356 -1.578 -1.739) 5.848 7.240 ( -0.013 3.513 6.836) 7.686 7.290 ( 1.210 2.208 -3.094) 3.989 7.314 ( -2.990 -3.798 4.296) 6.468 7.376 ( 2.224 -4.641 -3.644) 6.306 7.557 ( -4.733 1.906 3.512) 6.194 7.579 ( -2.659 -0.007 2.171) 3.433 7.658 ( -0.897 2.683 -0.678) 2.909 7.727 ( 4.649 -2.695 -6.505) 8.437 7.884 ( -1.177 3.568 1.373) 4.000 7.925 ( 2.036 -0.207 -2.037) 2.888 8.028 ( -0.393 4.324 4.926) 6.566 8.089 ( 2.224 6.483 -6.057) 9.147 8.145 ( -3.798 -4.111 -1.107) 5.705 8.178 ( 0.778 -1.746 0.503) 1.977 8.251 ( -0.178 -2.047 1.467) 2.525 8.289 ( 2.640 -4.628 -1.907) 5.659 8.402 ( -2.048 2.100 1.769) 3.425 8.460 ( 2.552 -1.677 -1.305) 3.321 8.571 ( 0.861 -2.594 0.391) 2.761 8.607 ( 3.448 -4.494 -1.887) 5.971 8.812 ( 0.719 -2.072 0.979) 2.402 8.830 ( 1.280 -3.662 -2.685) 4.718 9.157 ( -3.433 1.150 1.822) 4.054 9.176 ( -1.483 -0.104 0.657) 1.625 9.326 ( -2.609 2.821 4.075) 5.601 9.366 ( -3.037 2.457 -4.396) 5.881 9.428 ( -2.905 -2.371 2.931) 4.760 9.511 ( 2.977 -6.017 -3.444) 7.545 9.715 ( -2.415 2.403 0.054) 3.407 9.752 ( 0.247 2.143 1.010) 2.382 9.780 ( 0.356 0.927 0.521) 1.122 9.808 ( 0.746 1.843 0.766) 2.130 9.854 ( -0.552 2.499 3.017) 3.956 9.917 ( 4.286 3.682 -2.873) 6.338 10.062 ( -2.272 -6.345 -2.319) 7.127 10.077 ( 1.626 -3.912 2.174) 4.762 10.153 ( -0.485 2.216 -0.337) 2.294 10.183 ( 2.111 -0.669 -1.230) 2.533 10.396 ( -0.286 2.383 0.246) 2.413 10.429 ( 3.626 -0.471 0.311) 3.670 10.744 ( -2.283 1.927 1.653) 3.414 10.757 ( -0.942 1.445 1.262) 2.137 10.858 ( 0.153 -0.642 0.877) 1.098 10.868 ( 0.585 -0.826 -0.670) 1.214 11.070 ( -4.417 3.597 0.829) 5.756 11.095 ( -2.006 1.235 -0.089) 2.358 11.227 ( -3.567 3.553 0.256) 5.041 11.273 ( -0.367 1.669 1.168) 2.070 11.312 ( -1.633 0.115 -0.291) 1.662 11.376 ( 3.303 -2.498 -0.673) 4.196 11.429 ( -1.894 1.211 0.207) 2.258 11.447 ( -0.522 -0.100 -0.932) 1.073 11.634 ( 2.811 1.228 -0.000) 3.068 11.672 ( 6.612 -2.074 -0.578) 6.954 11.945 ( 0.194 0.351 -0.062) 0.406 11.973 ( 3.597 -2.125 -0.462) 4.203 12.291 ( -0.349 3.505 1.964) 4.033 12.306 ( 0.358 2.418 -1.114) 2.686 12.372 ( -0.946 -0.701 0.570) 1.308 12.389 ( 0.356 -2.045 -1.054) 2.328 12.591 ( -3.351 1.970 1.213) 4.072 12.633 ( 0.159 -0.581 -0.894) 1.078 12.730 ( -2.340 -0.568 -0.294) 2.426 12.789 ( 4.229 -4.631 -1.643) 6.483 12.987 ( -4.463 0.205 -0.044) 4.468 13.007 ( -2.102 -1.484 -0.724) 2.673 13.301 ( -0.929 1.475 1.065) 2.043 13.316 ( 0.664 0.140 0.320) 0.750 14.549 ( -0.671 2.158 -0.368) 2.289 14.578 ( 3.248 -0.516 0.050) 3.289 15.458 ( -1.347 0.155 0.014) 1.356 15.467 ( -0.184 -0.724 0.310) 0.809 15.860 ( -6.820 5.506 -0.238) 8.768 15.930 ( -0.333 2.363 -0.248) 2.399 15.968 ( -4.230 -0.029 -1.210) 4.400 16.023 ( 1.915 -2.011 2.453) 3.705 16.764 ( -5.000 1.463 -0.607) 5.245 16.798 ( 0.056 -1.245 0.866) 1.518 16.895 ( -2.292 2.545 -0.998) 3.568 16.929 ( 1.374 1.307 0.493) 1.960 17.049 ( -1.833 -2.687 3.687) 4.917 17.069 ( -4.010 -6.000 -1.914) 7.466 17.191 ( 2.954 3.903 1.311) 5.067 17.319 ( 12.789 -8.363 -2.842) 15.542 18.125 ( -1.387 0.791 2.430) 2.907 18.129 ( -1.715 0.190 -0.242) 1.742 18.152 ( 1.290 0.572 -0.233) 1.430 18.158 ( 0.998 0.446 -1.086) 1.541 18.348 ( -0.774 2.235 1.012) 2.572 18.368 ( 1.171 0.527 -0.511) 1.382 18.465 ( -0.509 -0.719 -2.375) 2.533 18.470 ( 0.714 -1.385 0.070) 1.560 18.640 ( -2.510 2.117 1.530) 3.623 18.673 ( 1.278 -0.350 0.025) 1.325 18.837 ( -1.461 -1.834 2.875) 3.710 18.866 ( 0.294 -3.598 -2.138) 4.195 19.218 ( -5.194 0.277 1.146) 5.326 19.246 ( -2.238 -2.346 2.179) 3.907 19.595 ( 4.692 5.992 -1.284) 7.718 19.660 ( 10.998 0.276 -3.980) 11.699 ======================= Grid point 89 (53/54) ======================= q-point: (-0.29 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( -2.708 -6.564 1.702) 7.302 0.726 ( 1.915 -7.198 -2.275) 7.788 0.871 ( -4.637 9.261 2.610) 10.680 0.943 ( -4.125 5.321 4.199) 7.935 1.056 ( 0.078 -5.446 -0.149) 5.448 1.067 ( -5.048 -4.554 3.466) 7.631 1.170 ( 1.295 1.101 -1.687) 2.395 1.212 ( -0.428 -0.018 -1.352) 1.418 1.242 ( -2.335 1.422 1.054) 2.930 1.280 ( 0.480 -1.227 2.314) 2.663 1.365 ( -0.926 -2.025 0.591) 2.304 1.371 ( 0.788 -2.099 -0.989) 2.450 1.456 ( 5.628 0.413 0.001) 5.643 1.474 ( 6.454 -0.657 0.203) 6.490 1.523 ( -0.647 -0.127 3.332) 3.397 1.554 ( 0.990 -2.527 -0.051) 2.715 1.620 ( -0.642 0.827 1.984) 2.243 1.641 ( -1.138 -1.319 2.127) 2.749 1.692 ( -1.970 2.195 1.053) 3.132 1.719 ( 0.259 -0.712 -0.484) 0.899 1.859 ( -4.761 5.394 0.206) 7.197 1.913 ( -1.092 0.870 -5.706) 5.874 2.004 ( -2.056 3.814 -3.694) 5.694 2.054 ( 0.318 0.655 1.313) 1.502 2.080 ( -0.278 -0.402 -3.307) 3.343 2.127 ( -1.812 -1.836 -3.571) 4.405 2.188 ( -0.106 -0.650 0.227) 0.697 2.212 ( 2.166 -2.676 2.055) 4.009 2.239 ( 0.292 2.099 -1.864) 2.823 2.296 ( -0.948 -1.313 -1.201) 2.017 2.424 ( 0.105 1.780 5.363) 5.652 2.450 ( 1.801 0.082 0.122) 1.807 2.500 ( 1.395 2.042 2.930) 3.834 2.543 ( 0.130 -0.402 -0.589) 0.725 2.663 ( -0.371 1.695 0.296) 1.761 2.677 ( -1.023 0.544 -1.946) 2.265 2.702 ( 2.769 -2.701 -0.895) 3.971 2.750 ( -1.949 -3.746 0.339) 4.236 2.861 ( -2.096 3.153 -0.193) 3.791 2.934 ( -0.040 -1.970 2.882) 3.491 2.985 ( -0.431 2.496 -1.864) 3.145 3.024 ( -2.940 -2.030 -2.232) 4.213 3.097 ( -3.213 0.171 2.487) 4.067 3.126 ( -2.355 -2.461 2.012) 3.956 3.201 ( -4.087 0.336 0.609) 4.146 3.229 ( -3.646 -2.558 -0.117) 4.456 3.289 ( 3.095 1.898 -1.146) 3.808 3.357 ( 5.074 -3.615 -0.634) 6.262 3.497 ( 0.784 3.551 -2.085) 4.192 3.571 ( 3.195 -0.461 -0.078) 3.229 3.611 ( -0.551 0.301 -1.777) 1.885 3.649 ( 1.094 -3.520 -2.024) 4.205 3.745 ( 0.239 3.032 1.300) 3.307 3.796 ( 1.056 0.078 1.104) 1.530 3.834 ( -2.382 1.375 2.332) 3.606 3.848 ( -0.710 0.059 0.504) 0.873 3.910 ( 2.779 -1.230 0.866) 3.160 3.931 ( 3.813 -4.457 1.807) 6.137 4.093 ( 4.560 2.541 0.368) 5.233 4.125 ( 1.946 -0.741 0.535) 2.149 4.192 ( -1.556 1.989 -1.794) 3.098 4.244 ( -1.314 -2.845 -1.541) 3.492 4.357 ( -2.050 4.099 -0.571) 4.618 4.425 ( 0.779 1.061 -1.145) 1.745 4.448 ( 4.258 -2.924 0.782) 5.224 4.497 ( 0.586 -4.766 -1.997) 5.201 4.581 ( -2.314 0.395 1.666) 2.879 4.608 ( -2.673 -1.281 0.753) 3.058 4.724 ( 0.747 1.759 -0.430) 1.959 4.755 ( -0.571 -0.753 -0.902) 1.306 4.885 ( -2.954 2.397 -0.564) 3.846 4.941 ( -1.112 -3.242 2.180) 4.062 5.063 ( 0.556 0.213 3.169) 3.224 5.079 ( 0.479 -0.923 2.994) 3.169 5.138 ( 0.915 4.726 3.553) 5.983 5.216 ( -0.719 -2.120 2.547) 3.391 5.262 ( -0.507 3.064 -1.644) 3.514 5.321 ( 0.214 -2.402 -2.543) 3.504 5.427 ( -2.035 2.225 -2.431) 3.872 5.458 ( 0.312 -0.390 -3.387) 3.424 5.539 ( 6.517 -0.951 2.186) 6.940 5.554 ( 5.897 -2.562 -0.951) 6.499 5.686 ( 1.757 2.535 0.653) 3.153 5.738 ( 2.050 -1.778 0.229) 2.724 5.875 ( 0.855 -0.572 -1.922) 2.180 5.886 ( 2.342 -1.035 0.279) 2.575 5.964 ( -3.640 4.232 2.020) 5.937 6.058 ( -1.345 -3.491 1.406) 3.997 6.147 ( -3.999 2.403 0.825) 4.738 6.206 ( -2.039 -3.254 1.560) 4.145 6.254 ( 2.517 1.698 -2.541) 3.959 6.303 ( 3.214 -2.554 -2.890) 5.020 6.424 ( -0.822 1.542 -1.161) 2.098 6.437 ( -3.230 1.627 -0.100) 3.618 6.604 ( -0.208 1.841 -0.140) 1.858 6.645 ( 2.824 -1.062 -0.943) 3.161 6.738 ( -1.489 1.339 1.352) 2.416 6.761 ( 2.000 -0.887 -4.418) 4.931 6.831 ( -1.280 -0.360 1.893) 2.313 6.835 ( -0.013 -0.923 -0.219) 0.949 6.992 ( 2.758 1.142 -0.905) 3.120 7.000 ( 3.795 -0.250 -1.735) 4.180 7.031 ( 2.508 1.584 -5.289) 6.064 7.116 ( 3.522 -5.616 -4.276) 7.889 7.272 ( 1.058 2.985 -1.812) 3.649 7.278 ( -2.064 -0.473 -0.189) 2.126 7.321 ( 0.742 1.615 1.689) 2.451 7.396 ( -1.138 -2.083 -0.655) 2.462 7.546 ( -2.992 6.870 1.177) 7.585 7.624 ( -0.912 2.789 8.255) 8.761 7.712 ( 4.692 -3.753 -2.507) 6.511 7.737 ( 1.069 -2.526 9.158) 9.560 7.795 ( -3.275 6.896 -5.161) 9.215 7.942 ( -0.228 -5.333 0.687) 5.382 8.052 ( 1.508 5.363 -0.875) 5.639 8.078 ( 2.008 4.697 -1.631) 5.362 8.109 ( 0.321 -2.517 0.546) 2.595 8.200 ( 0.041 -1.068 2.159) 2.409 8.284 ( 1.273 -2.666 2.296) 3.742 8.315 ( 0.809 -6.778 0.730) 6.865 8.403 ( -1.023 2.323 1.533) 2.965 8.484 ( 2.175 -2.602 -0.399) 3.414 8.572 ( 0.311 -2.502 -1.829) 3.115 8.635 ( 4.689 -5.568 -3.911) 8.264 8.822 ( 2.012 0.501 -0.377) 2.107 8.866 ( 2.724 -2.726 1.589) 4.168 9.136 ( -3.355 3.343 2.793) 5.499 9.169 ( -1.162 -1.058 1.636) 2.268 9.239 ( -4.459 2.446 -2.829) 5.820 9.311 ( -6.184 -2.380 2.442) 7.062 9.443 ( -0.107 0.108 1.037) 1.048 9.497 ( -1.713 -4.381 0.466) 4.727 9.681 ( -1.258 2.948 -0.259) 3.216 9.726 ( -2.728 -0.336 0.066) 2.750 9.826 ( -0.087 6.380 3.261) 7.166 9.852 ( 2.617 0.879 -0.229) 2.771 9.865 ( 2.149 -0.261 -1.634) 2.712 9.973 ( 1.993 -4.072 -2.627) 5.240 10.019 ( 4.828 4.935 1.791) 7.133 10.099 ( -1.824 0.341 1.411) 2.331 10.137 ( -0.227 -4.026 -3.122) 5.099 10.180 ( 0.627 -3.949 0.013) 3.998 10.432 ( 4.481 5.276 -0.762) 6.964 10.501 ( 4.575 -0.780 -0.528) 4.671 10.695 ( -4.507 2.785 -1.361) 5.470 10.723 ( -2.636 1.143 -1.826) 3.404 10.856 ( -0.194 1.435 -1.384) 2.003 10.884 ( 1.689 -1.659 -1.191) 2.650 10.998 ( -4.632 2.190 0.196) 5.127 11.038 ( -6.220 -0.862 0.651) 6.313 11.144 ( -5.716 3.163 -2.754) 7.090 11.214 ( -3.228 -3.021 -1.441) 4.651 11.318 ( 1.117 3.701 0.041) 3.867 11.376 ( 1.892 -1.425 -0.772) 2.492 11.443 ( -1.043 1.429 4.370) 4.715 11.468 ( -0.666 -0.852 3.558) 3.719 11.710 ( 6.974 4.855 -0.408) 8.508 11.832 ( 9.923 -6.073 1.830) 11.777 11.960 ( 2.229 2.712 -0.688) 3.577 12.028 ( 5.157 -3.148 -1.650) 6.263 12.268 ( -0.852 4.404 -3.534) 5.710 12.309 ( -0.013 1.054 0.389) 1.123 12.338 ( -1.133 -0.175 -1.452) 1.850 12.370 ( -1.666 -2.522 -0.561) 3.075 12.555 ( -3.571 1.587 1.317) 4.124 12.610 ( -2.897 -2.678 0.981) 4.066 12.727 ( -1.132 2.852 2.513) 3.966 12.827 ( 1.077 -6.588 -0.906) 6.737 12.891 ( -5.815 1.569 0.318) 6.031 12.940 ( -4.036 -2.579 0.852) 4.865 13.297 ( -1.756 2.263 -0.459) 2.901 13.319 ( -0.777 0.679 -0.127) 1.040 14.552 ( 2.122 3.831 0.303) 4.390 14.628 ( 4.564 -3.223 -0.388) 5.600 15.416 ( -4.985 2.784 -0.011) 5.710 15.472 ( -4.115 -2.733 2.284) 5.442 15.741 ( -2.664 3.046 -2.963) 5.015 15.798 ( -6.009 -1.941 -3.202) 7.080 15.972 ( -3.188 3.609 1.366) 5.005 16.016 ( -5.009 -0.811 0.404) 5.091 16.664 ( -6.668 2.769 0.710) 7.255 16.759 ( -6.263 -5.410 0.778) 8.312 16.864 ( -0.584 1.250 -1.297) 1.894 16.907 ( -2.335 -2.866 -0.726) 3.767 17.041 ( 0.907 -0.718 0.242) 1.182 17.059 ( 3.724 -1.109 -1.006) 4.014 17.341 ( 7.947 7.635 3.768) 11.647 17.500 ( 12.817 -7.176 -0.515) 14.698 18.087 ( -1.887 1.278 -0.939) 2.465 18.121 ( -0.610 -1.486 -0.771) 1.782 18.147 ( 1.033 1.058 -1.276) 1.953 18.161 ( 0.401 -0.035 -1.392) 1.449 18.361 ( -0.646 2.368 1.691) 2.981 18.378 ( 0.954 0.475 -0.275) 1.101 18.422 ( -1.116 1.424 -0.937) 2.038 18.491 ( -1.123 -3.153 1.857) 3.828 18.603 ( -2.411 4.246 -0.448) 4.903 18.696 ( 0.855 -3.820 -0.260) 3.923 18.804 ( -1.326 -1.333 -4.910) 5.257 18.831 ( -1.268 -3.760 -0.106) 3.970 19.148 ( -4.366 2.767 -0.270) 5.176 19.216 ( -3.942 -3.751 -0.432) 5.459 19.749 ( 11.117 8.126 5.037) 14.663 19.876 ( 16.781 -2.903 2.728) 17.247 ======================= Grid point 90 (54/54) ======================= q-point: (-0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( -0.480 -0.543 2.131) 2.251 0.784 ( 3.660 -10.403 3.170) 11.474 0.885 ( -4.101 10.078 6.658) 12.756 0.957 ( -2.999 7.811 1.358) 8.476 1.034 ( -4.470 -4.035 6.096) 8.569 1.098 ( 2.663 -3.712 2.019) 4.995 1.138 ( -0.363 0.145 -1.693) 1.738 1.206 ( 2.028 -3.832 -1.401) 4.556 1.232 ( -2.693 2.450 1.077) 3.796 1.295 ( -2.816 -2.932 1.586) 4.364 1.327 ( 0.276 1.251 -2.634) 2.929 1.378 ( -0.753 -2.737 0.467) 2.877 1.523 ( 4.022 0.635 -1.722) 4.421 1.545 ( 3.364 -1.038 -1.197) 3.718 1.554 ( -1.932 0.298 1.579) 2.513 1.567 ( -1.651 -0.033 2.421) 2.931 1.645 ( -1.079 0.502 2.426) 2.702 1.659 ( -0.577 -0.091 2.695) 2.758 1.697 ( 0.095 1.055 1.575) 1.898 1.732 ( 1.390 -2.284 1.112) 2.895 1.815 ( 2.014 1.611 -3.200) 4.110 1.836 ( 0.730 0.421 -1.803) 1.990 1.941 ( -0.111 3.757 -1.746) 4.145 2.007 ( -1.146 -0.658 -3.071) 3.343 2.057 ( -1.208 0.743 -0.039) 1.419 2.076 ( -2.308 -0.224 -0.719) 2.428 2.187 ( 1.226 1.176 1.005) 1.974 2.243 ( 1.275 0.912 -0.800) 1.760 2.253 ( 1.453 -2.619 1.847) 3.519 2.298 ( 2.324 -3.036 -2.470) 4.551 2.441 ( -1.348 5.796 -2.815) 6.583 2.442 ( -1.286 4.458 0.034) 4.640 2.511 ( -1.184 -1.862 -1.445) 2.638 2.566 ( -1.393 -4.739 2.479) 5.526 2.636 ( 0.672 0.316 -1.628) 1.789 2.664 ( -1.157 -1.824 -0.801) 2.304 2.687 ( -2.920 2.226 1.403) 3.930 2.754 ( -0.100 -4.578 -0.334) 4.591 2.886 ( 2.396 4.571 2.573) 5.767 2.939 ( -3.224 0.963 -0.056) 3.365 2.948 ( -3.131 -1.115 -0.648) 3.386 2.990 ( -5.990 1.487 -1.738) 6.412 3.021 ( 1.606 -4.523 2.512) 5.418 3.042 ( -4.205 -3.293 -1.482) 5.543 3.197 ( 0.296 -0.186 0.526) 0.631 3.222 ( 0.804 -2.065 2.601) 3.417 3.345 ( 3.025 4.473 1.362) 5.569 3.443 ( 5.185 -4.321 -0.791) 6.796 3.499 ( 1.985 2.329 0.411) 3.088 3.567 ( -0.474 -3.403 0.511) 3.474 3.638 ( 4.667 3.099 -0.935) 5.679 3.676 ( 2.032 -1.048 0.400) 2.321 3.761 ( -0.578 1.626 -2.549) 3.079 3.768 ( -2.084 1.341 -2.059) 3.222 3.838 ( -0.727 1.645 3.442) 3.884 3.877 ( 2.148 -0.750 3.827) 4.452 3.962 ( 0.630 -0.882 0.540) 1.211 3.995 ( -1.944 -3.353 0.448) 3.901 4.111 ( 4.144 0.844 -0.815) 4.307 4.150 ( 3.909 -0.581 -2.031) 4.443 4.189 ( -0.485 0.150 2.254) 2.311 4.221 ( -2.927 -0.575 2.851) 4.126 4.331 ( -0.806 3.230 0.487) 3.365 4.406 ( -1.738 -2.171 -0.911) 2.927 4.473 ( -1.440 0.905 -3.849) 4.208 4.489 ( 1.245 -1.201 -2.723) 3.226 4.539 ( -0.730 -0.562 -2.531) 2.694 4.587 ( -0.652 -3.237 -4.507) 5.587 4.720 ( -0.437 -0.219 4.056) 4.085 4.725 ( -0.265 -0.490 2.946) 2.998 4.919 ( 1.287 2.729 4.739) 5.618 4.976 ( -0.139 -1.930 3.252) 3.784 5.113 ( 0.361 0.218 1.265) 1.334 5.120 ( -0.994 0.066 2.564) 2.751 5.181 ( 0.570 3.575 -0.693) 3.686 5.221 ( 1.108 0.888 -3.462) 3.741 5.265 ( 1.061 0.759 3.336) 3.582 5.295 ( 0.229 -3.021 0.044) 3.030 5.395 ( 1.041 1.663 -1.223) 2.312 5.442 ( 2.902 -2.315 -1.098) 3.871 5.601 ( -0.395 1.062 -1.340) 1.755 5.629 ( 0.156 -1.164 0.065) 1.176 5.742 ( 4.915 1.924 1.259) 5.427 5.791 ( 5.524 -2.347 0.684) 6.041 5.859 ( -0.618 1.324 -0.237) 1.481 5.907 ( 1.122 -3.157 -0.483) 3.385 5.947 ( -2.517 4.402 2.501) 5.653 6.032 ( -3.398 -3.297 0.976) 4.834 6.102 ( -2.869 2.789 0.649) 4.053 6.174 ( -2.320 -4.178 -0.109) 4.780 6.253 ( 2.117 1.521 -4.512) 5.211 6.295 ( 0.536 -2.821 -4.762) 5.561 6.386 ( 0.090 0.830 -0.562) 1.006 6.411 ( -1.309 -0.704 1.732) 2.283 6.594 ( 0.378 3.490 -1.315) 3.749 6.654 ( 1.017 -1.326 -3.335) 3.730 6.726 ( -0.042 0.640 -1.025) 1.209 6.750 ( 3.683 -0.128 -4.012) 5.448 6.795 ( -0.085 -0.643 -3.587) 3.645 6.826 ( -2.948 -2.490 0.844) 3.950 6.981 ( 2.203 0.741 -0.446) 2.367 7.011 ( 3.276 -0.725 -1.473) 3.664 7.066 ( 3.464 2.964 -1.731) 4.876 7.131 ( 0.132 -2.147 -1.828) 2.823 7.205 ( -3.766 0.853 -1.049) 4.001 7.239 ( -4.844 -0.440 -0.197) 4.868 7.330 ( -0.355 0.175 -0.816) 0.907 7.352 ( -0.503 -1.352 -1.399) 2.009 7.518 ( -0.432 9.217 0.020) 9.227 7.662 ( -1.185 5.960 -4.490) 7.556 7.705 ( -1.806 -1.000 2.252) 3.055 7.753 ( 1.899 3.260 0.323) 3.786 7.918 ( 2.242 0.607 7.168) 7.535 7.994 ( 0.732 -6.951 7.212) 10.043 8.059 ( 3.171 3.161 -2.465) 5.111 8.090 ( -0.094 1.420 1.495) 2.065 8.162 ( 5.103 1.783 -0.321) 5.415 8.256 ( 0.833 -5.610 5.510) 7.907 8.306 ( -1.703 -0.570 1.295) 2.214 8.365 ( 0.720 -3.014 3.460) 4.645 8.411 ( 1.618 3.210 -0.239) 3.602 8.514 ( 1.956 -2.434 -0.544) 3.170 8.560 ( 1.522 -4.944 -0.103) 5.174 8.622 ( 2.654 -7.160 -4.909) 9.078 8.869 ( 2.997 2.346 0.175) 3.810 8.921 ( 1.964 -1.977 0.006) 2.787 9.085 ( -6.414 6.945 0.403) 9.462 9.157 ( -3.521 -1.009 -0.207) 3.669 9.192 ( 0.871 -1.794 -0.094) 1.996 9.250 ( -3.421 -5.584 0.023) 6.549 9.445 ( 0.124 1.069 0.457) 1.169 9.476 ( -3.077 -1.832 2.381) 4.301 9.670 ( -0.142 3.486 0.714) 3.561 9.712 ( -0.357 -0.597 1.220) 1.404 9.823 ( -1.266 1.359 0.069) 1.859 9.854 ( 0.919 -0.986 -1.795) 2.244 9.931 ( 2.520 4.364 4.089) 6.489 10.011 ( 0.274 0.401 -1.545) 1.620 10.051 ( 2.016 2.682 -1.332) 3.610 10.110 ( 2.697 -5.092 1.900) 6.068 10.154 ( 3.303 0.868 0.335) 3.431 10.197 ( 1.171 -2.425 1.001) 2.872 10.471 ( 1.237 5.002 -1.821) 5.465 10.496 ( -2.210 2.194 -3.893) 4.986 10.598 ( -1.341 1.566 -3.859) 4.375 10.651 ( -1.862 -1.695 -1.441) 2.901 10.771 ( -5.444 2.395 -4.466) 7.438 10.840 ( -4.037 -2.943 -4.670) 6.838 10.969 ( 1.100 0.259 -0.921) 1.458 10.985 ( 2.112 -0.973 0.425) 2.364 11.045 ( -4.360 4.271 -0.239) 6.109 11.128 ( -3.952 -3.613 -1.833) 5.660 11.361 ( 1.191 3.801 2.370) 4.635 11.423 ( 1.611 -1.610 1.682) 2.831 11.481 ( -1.815 1.331 3.291) 3.987 11.501 ( -0.928 -0.425 3.327) 3.480 11.814 ( 6.102 6.162 0.727) 8.703 11.936 ( 3.636 -2.741 -2.147) 5.034 12.011 ( 3.516 -0.407 0.911) 3.655 12.071 ( 4.368 -3.037 -2.953) 6.085 12.204 ( 0.423 4.985 -3.582) 6.153 12.298 ( -0.399 -2.176 -0.720) 2.326 12.327 ( -0.240 -0.155 -0.143) 0.319 12.334 ( -2.443 -1.310 0.876) 2.907 12.531 ( -1.634 1.701 1.338) 2.711 12.590 ( -0.922 -2.681 0.927) 2.983 12.696 ( -5.903 0.582 0.472) 5.950 12.756 ( -5.921 -3.956 -0.103) 7.122 12.898 ( 1.979 2.814 3.432) 4.859 12.974 ( 1.880 -3.769 4.246) 5.980 13.227 ( -3.324 3.765 -2.836) 5.768 13.285 ( -2.107 -1.127 -1.879) 3.040 14.626 ( 3.855 4.461 3.076) 6.650 14.715 ( 5.101 -3.734 1.124) 6.420 15.310 ( -6.008 3.043 -1.212) 6.843 15.372 ( -9.085 -3.008 -0.393) 9.578 15.709 ( 1.068 1.555 -2.253) 2.939 15.723 ( 1.155 0.480 -1.463) 1.925 15.908 ( -4.668 1.762 -0.348) 5.002 15.935 ( -4.748 -0.851 0.176) 4.827 16.590 ( -5.070 2.611 1.141) 5.816 16.654 ( -7.123 -3.118 -0.169) 7.777 16.839 ( -0.301 1.217 -0.370) 1.307 16.870 ( -1.562 -1.440 -0.008) 2.124 17.072 ( 2.428 0.968 -0.552) 2.671 17.106 ( 3.647 -1.937 -1.776) 4.495 17.506 ( 5.349 8.717 5.333) 11.535 17.672 ( 9.521 -6.225 -0.599) 11.391 18.045 ( -1.022 2.054 -1.510) 2.746 18.086 ( -1.377 -1.201 -1.034) 2.099 18.138 ( 1.877 0.680 -2.230) 2.993 18.180 ( 2.999 -2.683 0.118) 4.026 18.338 ( -3.282 2.260 -0.868) 4.078 18.370 ( -4.089 -1.038 1.008) 4.337 18.424 ( 1.183 2.971 1.301) 3.452 18.490 ( -1.996 -2.085 1.501) 3.253 18.568 ( -0.574 3.520 -0.480) 3.599 18.669 ( -0.740 -5.067 -3.783) 6.367 18.736 ( 0.355 -0.001 -1.991) 2.022 18.813 ( 0.560 -5.578 -1.461) 5.794 19.076 ( -3.546 2.828 -1.179) 4.687 19.131 ( -3.223 -2.250 -3.167) 5.048 20.010 ( 8.628 7.615 8.394) 14.244 20.159 ( 12.586 -5.746 2.612) 14.080 =================== 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 3/35700 10.0 49.732 25.124 34.648 0.000 -5.008 0.000 3/35700 20.0 9.746 5.546 6.695 0.000 -1.068 0.000 3/35700 30.0 4.563 2.656 3.140 0.000 -0.507 0.000 3/35700 40.0 2.869 1.681 1.973 0.000 -0.315 0.000 3/35700 50.0 2.076 1.220 1.427 0.000 -0.224 0.000 3/35700 60.0 1.626 0.959 1.118 0.000 -0.173 0.000 3/35700 70.0 1.340 0.794 0.922 0.000 -0.141 0.000 3/35700 80.0 1.143 0.681 0.788 0.000 -0.119 0.000 3/35700 90.0 1.000 0.599 0.690 0.000 -0.103 0.000 3/35700 100.0 0.892 0.537 0.615 0.000 -0.091 0.000 3/35700 110.0 0.807 0.488 0.557 0.000 -0.082 0.000 3/35700 120.0 0.739 0.449 0.510 0.000 -0.074 0.000 3/35700 130.0 0.682 0.416 0.471 0.000 -0.068 0.000 3/35700 140.0 0.635 0.389 0.439 0.000 -0.063 0.000 3/35700 150.0 0.595 0.365 0.411 0.000 -0.058 0.000 3/35700 160.0 0.560 0.345 0.387 0.000 -0.054 0.000 3/35700 170.0 0.530 0.327 0.366 0.000 -0.051 0.000 3/35700 180.0 0.503 0.311 0.347 0.000 -0.048 0.000 3/35700 190.0 0.479 0.296 0.331 0.000 -0.046 0.000 3/35700 200.0 0.458 0.283 0.316 0.000 -0.043 0.000 3/35700 210.0 0.438 0.271 0.302 0.000 -0.041 0.000 3/35700 220.0 0.421 0.260 0.290 0.000 -0.039 0.000 3/35700 230.0 0.404 0.250 0.279 0.000 -0.037 0.000 3/35700 240.0 0.389 0.241 0.269 0.000 -0.036 0.000 3/35700 250.0 0.376 0.233 0.259 0.000 -0.034 0.000 3/35700 260.0 0.363 0.225 0.250 0.000 -0.033 0.000 3/35700 270.0 0.351 0.217 0.242 0.000 -0.032 0.000 3/35700 280.0 0.340 0.210 0.235 0.000 -0.031 0.000 3/35700 290.0 0.329 0.204 0.227 0.000 -0.030 0.000 3/35700 300.0 0.319 0.198 0.221 0.000 -0.029 0.000 3/35700 310.0 0.310 0.192 0.214 0.000 -0.028 0.000 3/35700 320.0 0.301 0.187 0.208 0.000 -0.027 0.000 3/35700 330.0 0.293 0.182 0.203 0.000 -0.026 0.000 3/35700 340.0 0.285 0.177 0.197 0.000 -0.025 0.000 3/35700 350.0 0.278 0.172 0.192 0.000 -0.025 0.000 3/35700 360.0 0.271 0.168 0.187 0.000 -0.024 0.000 3/35700 370.0 0.264 0.164 0.183 0.000 -0.023 0.000 3/35700 380.0 0.258 0.160 0.178 0.000 -0.023 0.000 3/35700 390.0 0.252 0.156 0.174 0.000 -0.022 0.000 3/35700 400.0 0.246 0.152 0.170 0.000 -0.022 0.000 3/35700 410.0 0.241 0.149 0.167 0.000 -0.021 0.000 3/35700 420.0 0.235 0.145 0.163 0.000 -0.021 0.000 3/35700 430.0 0.230 0.142 0.159 0.000 -0.020 0.000 3/35700 440.0 0.225 0.139 0.156 0.000 -0.020 0.000 3/35700 450.0 0.221 0.136 0.153 0.000 -0.019 0.000 3/35700 460.0 0.216 0.134 0.150 0.000 -0.019 0.000 3/35700 470.0 0.212 0.131 0.147 0.000 -0.018 0.000 3/35700 480.0 0.208 0.128 0.144 0.000 -0.018 0.000 3/35700 490.0 0.204 0.126 0.141 0.000 -0.018 0.000 3/35700 500.0 0.200 0.124 0.139 0.000 -0.017 0.000 3/35700 510.0 0.196 0.121 0.136 0.000 -0.017 0.000 3/35700 520.0 0.193 0.119 0.134 0.000 -0.017 0.000 3/35700 530.0 0.189 0.117 0.131 0.000 -0.016 0.000 3/35700 540.0 0.186 0.115 0.129 0.000 -0.016 0.000 3/35700 550.0 0.183 0.113 0.127 0.000 -0.016 0.000 3/35700 560.0 0.180 0.111 0.125 0.000 -0.016 0.000 3/35700 570.0 0.177 0.109 0.122 0.000 -0.015 0.000 3/35700 580.0 0.174 0.107 0.120 0.000 -0.015 0.000 3/35700 590.0 0.171 0.106 0.119 0.000 -0.015 0.000 3/35700 600.0 0.168 0.104 0.117 0.000 -0.014 0.000 3/35700 610.0 0.166 0.102 0.115 0.000 -0.014 0.000 3/35700 620.0 0.163 0.101 0.113 0.000 -0.014 0.000 3/35700 630.0 0.161 0.099 0.111 0.000 -0.014 0.000 3/35700 640.0 0.158 0.098 0.110 0.000 -0.014 0.000 3/35700 650.0 0.156 0.096 0.108 0.000 -0.013 0.000 3/35700 660.0 0.154 0.095 0.107 0.000 -0.013 0.000 3/35700 670.0 0.151 0.093 0.105 0.000 -0.013 0.000 3/35700 680.0 0.149 0.092 0.104 0.000 -0.013 0.000 3/35700 690.0 0.147 0.091 0.102 0.000 -0.013 0.000 3/35700 700.0 0.145 0.089 0.101 0.000 -0.012 0.000 3/35700 710.0 0.143 0.088 0.099 0.000 -0.012 0.000 3/35700 720.0 0.141 0.087 0.098 0.000 -0.012 0.000 3/35700 730.0 0.139 0.086 0.097 0.000 -0.012 0.000 3/35700 740.0 0.137 0.085 0.095 0.000 -0.012 0.000 3/35700 750.0 0.136 0.084 0.094 0.000 -0.012 0.000 3/35700 760.0 0.134 0.083 0.093 0.000 -0.011 0.000 3/35700 770.0 0.132 0.082 0.092 0.000 -0.011 0.000 3/35700 780.0 0.131 0.081 0.091 0.000 -0.011 0.000 3/35700 790.0 0.129 0.080 0.090 0.000 -0.011 0.000 3/35700 800.0 0.127 0.079 0.088 0.000 -0.011 0.000 3/35700 810.0 0.126 0.078 0.087 0.000 -0.011 0.000 3/35700 820.0 0.124 0.077 0.086 0.000 -0.011 0.000 3/35700 830.0 0.123 0.076 0.085 0.000 -0.010 0.000 3/35700 840.0 0.122 0.075 0.084 0.000 -0.010 0.000 3/35700 850.0 0.120 0.074 0.083 0.000 -0.010 0.000 3/35700 860.0 0.119 0.073 0.082 0.000 -0.010 0.000 3/35700 870.0 0.117 0.072 0.082 0.000 -0.010 0.000 3/35700 880.0 0.116 0.072 0.081 0.000 -0.010 0.000 3/35700 890.0 0.115 0.071 0.080 0.000 -0.010 0.000 3/35700 900.0 0.114 0.070 0.079 0.000 -0.010 0.000 3/35700 910.0 0.112 0.069 0.078 0.000 -0.010 0.000 3/35700 920.0 0.111 0.069 0.077 0.000 -0.009 0.000 3/35700 930.0 0.110 0.068 0.076 0.000 -0.009 0.000 3/35700 940.0 0.109 0.067 0.076 0.000 -0.009 0.000 3/35700 950.0 0.108 0.066 0.075 0.000 -0.009 0.000 3/35700 960.0 0.107 0.066 0.074 0.000 -0.009 0.000 3/35700 970.0 0.106 0.065 0.073 0.000 -0.009 0.000 3/35700 980.0 0.105 0.064 0.073 0.000 -0.009 0.000 3/35700 990.0 0.103 0.064 0.072 0.000 -0.009 0.000 3/35700 1000.0 0.102 0.063 0.071 0.000 -0.009 0.000 3/35700 Thermal conductivity related properties were written into "kappa-m755.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:46:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|