----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 01:34:49]------------------------- 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 7.335390000000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.542296259999999 0.000000000000000 c -3.479165992948972 0.000000000000000 10.732686687943897 Atomic positions (fractional): *1 Y 0.01950391496233 0.10261338772589 0.79994604134824 88.906 2 Y 0.01950391496233 0.39738661227411 0.29994604134824 88.906 *3 Y 0.16265726101437 0.88193687271093 0.58545966550002 88.906 *4 Y 0.34181464118204 0.37418421418192 0.93878835392831 88.906 5 Y 0.16265726101437 0.61806312728907 0.08545966550002 88.906 6 Y 0.34181464118204 0.12581578581808 0.43878835392831 88.906 *7 Y 0.47991064211986 0.61684088707216 0.72097435330540 88.906 8 Y 0.52008935788014 0.11684088707215 0.77902564669460 88.906 9 Y 0.47991064211986 0.88315911292784 0.22097435330540 88.906 10 Y 0.52008935788014 0.38315911292784 0.27902564669460 88.906 11 Y 0.65818535881796 0.87418421418192 0.56121164607169 88.906 12 Y 0.83734273898563 0.38193687271093 0.91454033449998 88.906 13 Y 0.65818535881796 0.62581578581808 0.06121164607169 88.906 14 Y 0.83734273898563 0.11806312728907 0.41454033449998 88.906 15 Y 0.98049608503767 0.60261338772589 0.70005395865176 88.906 16 Y 0.98049608503767 0.89738661227411 0.20005395865176 88.906 *17 Ga 0.20759988129453 0.32832207421471 0.62362994525051 69.723 *18 Ga 0.34291596029062 0.83153105386517 0.89337759509803 69.723 19 Ga 0.20759988129453 0.17167792578529 0.12362994525051 69.723 20 Ga 0.34291596029062 0.66846894613483 0.39337759509803 69.723 21 Ga 0.65708403970938 0.33153105386517 0.60662240490197 69.723 22 Ga 0.79240011870547 0.82832207421471 0.87637005474949 69.723 23 Ga 0.65708403970938 0.16846894613483 0.10662240490197 69.723 24 Ga 0.79240011870547 0.67167792578529 0.37637005474949 69.723 *25 O 0.06608831281797 0.23498470943829 0.97337354374997 15.999 *26 O 0.07890038358673 0.50880404409654 0.89462530944852 15.999 *27 O 0.20865239918635 0.74456159849204 0.75160695895568 15.999 *28 O 0.23306816139366 0.24402904270629 0.77186356946333 15.999 29 O 0.06608831281797 0.26501529056170 0.47337354374997 15.999 30 O 0.07890038358673 0.99119595590346 0.39462530944852 15.999 *31 O 0.30363672970067 0.99505832607164 0.83976246925324 15.999 *32 O 0.21242157972406 0.49652274827029 0.65345140511553 15.999 33 O 0.20865239918635 0.75543840150796 0.25160695895569 15.999 34 O 0.23306816139366 0.25597095729371 0.27186356946333 15.999 *35 O 0.36801706311727 0.73507069248306 0.54705266084941 15.999 36 O 0.30363672970067 0.50494167392836 0.33976246925324 15.999 *37 O 0.43064702453458 0.25438042579595 0.61103975605192 15.999 *38 O 0.56432327677904 0.49319882798143 0.89213525531490 15.999 39 O 0.21242157972406 0.00347725172971 0.15345140511553 15.999 40 O 0.43567672322096 0.99319882798143 0.60786474468510 15.999 41 O 0.56935297546542 0.75438042579595 0.88896024394808 15.999 42 O 0.63198293688273 0.23507069248306 0.95294733915059 15.999 43 O 0.36801706311727 0.76492930751694 0.04705266084941 15.999 44 O 0.43064702453458 0.24561957420405 0.11103975605192 15.999 45 O 0.56432327677904 0.00680117201857 0.39213525531490 15.999 46 O 0.78757842027595 0.99652274827029 0.84654859488447 15.999 47 O 0.43567672322096 0.50680117201857 0.10786474468510 15.999 48 O 0.56935297546542 0.74561957420405 0.38896024394808 15.999 49 O 0.69636327029933 0.49505832607164 0.66023753074676 15.999 50 O 0.63198293688273 0.26492930751694 0.45294733915059 15.999 51 O 0.76693183860634 0.74402904270629 0.72813643053667 15.999 52 O 0.79134760081365 0.24456159849204 0.74839304104432 15.999 53 O 0.78757842027595 0.50347725172971 0.34654859488447 15.999 54 O 0.69636327029933 0.00494167392836 0.16023753074676 15.999 55 O 0.92109961641327 0.00880404409654 0.60537469055148 15.999 56 O 0.93391168718203 0.73498470943829 0.52662645625003 15.999 57 O 0.76693183860634 0.75597095729371 0.22813643053667 15.999 58 O 0.79134760081365 0.25543840150796 0.24839304104432 15.999 59 O 0.92109961641327 0.49119595590346 0.10537469055148 15.999 60 O 0.93391168718203 0.76501529056171 0.02662645625003 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.335390000000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.542296259999999 0.000000000000000 c -3.479165992948972 0.000000000000000 10.732686687943897 Atomic positions (fractional): *1 Y 0.01950391496233 0.10261338772589 0.79994604134824 88.906 > 1 2 Y 0.01950391496233 0.39738661227411 0.29994604134824 88.906 > 2 *3 Y 0.16265726101437 0.88193687271093 0.58545966550002 88.906 > 3 *4 Y 0.34181464118204 0.37418421418192 0.93878835392831 88.906 > 4 5 Y 0.16265726101437 0.61806312728907 0.08545966550002 88.906 > 5 6 Y 0.34181464118204 0.12581578581808 0.43878835392831 88.906 > 6 *7 Y 0.47991064211986 0.61684088707216 0.72097435330540 88.906 > 7 8 Y 0.52008935788014 0.11684088707215 0.77902564669460 88.906 > 8 9 Y 0.47991064211986 0.88315911292784 0.22097435330540 88.906 > 9 10 Y 0.52008935788014 0.38315911292784 0.27902564669460 88.906 > 10 11 Y 0.65818535881796 0.87418421418192 0.56121164607169 88.906 > 11 12 Y 0.83734273898563 0.38193687271093 0.91454033449998 88.906 > 12 13 Y 0.65818535881796 0.62581578581808 0.06121164607169 88.906 > 13 14 Y 0.83734273898563 0.11806312728907 0.41454033449998 88.906 > 14 15 Y 0.98049608503767 0.60261338772589 0.70005395865176 88.906 > 15 16 Y 0.98049608503767 0.89738661227411 0.20005395865176 88.906 > 16 *17 Ga 0.20759988129453 0.32832207421471 0.62362994525051 69.723 > 17 *18 Ga 0.34291596029062 0.83153105386517 0.89337759509803 69.723 > 18 19 Ga 0.20759988129453 0.17167792578529 0.12362994525051 69.723 > 19 20 Ga 0.34291596029062 0.66846894613483 0.39337759509803 69.723 > 20 21 Ga 0.65708403970938 0.33153105386517 0.60662240490197 69.723 > 21 22 Ga 0.79240011870547 0.82832207421471 0.87637005474949 69.723 > 22 23 Ga 0.65708403970938 0.16846894613483 0.10662240490197 69.723 > 23 24 Ga 0.79240011870547 0.67167792578529 0.37637005474949 69.723 > 24 *25 O 0.06608831281797 0.23498470943829 0.97337354374997 15.999 > 25 *26 O 0.07890038358673 0.50880404409654 0.89462530944852 15.999 > 26 *27 O 0.20865239918635 0.74456159849204 0.75160695895568 15.999 > 27 *28 O 0.23306816139366 0.24402904270629 0.77186356946333 15.999 > 28 29 O 0.06608831281797 0.26501529056170 0.47337354374997 15.999 > 29 30 O 0.07890038358673 0.99119595590346 0.39462530944852 15.999 > 30 *31 O 0.30363672970067 0.99505832607164 0.83976246925324 15.999 > 31 *32 O 0.21242157972406 0.49652274827029 0.65345140511553 15.999 > 32 33 O 0.20865239918635 0.75543840150796 0.25160695895569 15.999 > 33 34 O 0.23306816139366 0.25597095729371 0.27186356946333 15.999 > 34 *35 O 0.36801706311727 0.73507069248306 0.54705266084941 15.999 > 35 36 O 0.30363672970067 0.50494167392836 0.33976246925324 15.999 > 36 *37 O 0.43064702453458 0.25438042579595 0.61103975605192 15.999 > 37 *38 O 0.56432327677904 0.49319882798143 0.89213525531490 15.999 > 38 39 O 0.21242157972406 0.00347725172971 0.15345140511553 15.999 > 39 40 O 0.43567672322096 0.99319882798143 0.60786474468510 15.999 > 40 41 O 0.56935297546542 0.75438042579595 0.88896024394808 15.999 > 41 42 O 0.63198293688273 0.23507069248306 0.95294733915059 15.999 > 42 43 O 0.36801706311727 0.76492930751694 0.04705266084941 15.999 > 43 44 O 0.43064702453458 0.24561957420405 0.11103975605192 15.999 > 44 45 O 0.56432327677904 0.00680117201857 0.39213525531490 15.999 > 45 46 O 0.78757842027595 0.99652274827029 0.84654859488447 15.999 > 46 47 O 0.43567672322096 0.50680117201857 0.10786474468510 15.999 > 47 48 O 0.56935297546542 0.74561957420405 0.38896024394808 15.999 > 48 49 O 0.69636327029933 0.49505832607164 0.66023753074676 15.999 > 49 50 O 0.63198293688273 0.26492930751694 0.45294733915059 15.999 > 50 51 O 0.76693183860634 0.74402904270629 0.72813643053667 15.999 > 51 52 O 0.79134760081365 0.24456159849204 0.74839304104432 15.999 > 52 53 O 0.78757842027595 0.50347725172971 0.34654859488447 15.999 > 53 54 O 0.69636327029933 0.00494167392836 0.16023753074676 15.999 > 54 55 O 0.92109961641327 0.00880404409654 0.60537469055148 15.999 > 55 56 O 0.93391168718203 0.73498470943829 0.52662645625003 15.999 > 56 57 O 0.76693183860634 0.75597095729371 0.22813643053667 15.999 > 57 58 O 0.79134760081365 0.25543840150796 0.24839304104432 15.999 > 58 59 O 0.92109961641327 0.49119595590346 0.10537469055148 15.999 > 59 60 O 0.93391168718203 0.76501529056171 0.02662645625003 15.999 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.670780000000002 0.000000000000000 0.000000000000000 b 0.000000000000000 10.542296259999999 0.000000000000000 c -3.479165992948972 0.000000000000000 10.732686687943897 Atomic positions (fractional): *1 Y 0.00975195748117 0.10261338772589 0.79994604134824 88.906 > 1 2 Y 0.50975195748117 0.10261338772589 0.79994604134824 88.906 > 1 3 Y 0.00975195748117 0.39738661227411 0.29994604134824 88.906 > 2 4 Y 0.50975195748117 0.39738661227411 0.29994604134824 88.906 > 2 *5 Y 0.08132863050719 0.88193687271093 0.58545966550002 88.906 > 3 6 Y 0.58132863050719 0.88193687271093 0.58545966550002 88.906 > 3 *7 Y 0.17090732059102 0.37418421418192 0.93878835392831 88.906 > 4 8 Y 0.67090732059102 0.37418421418192 0.93878835392831 88.906 > 4 9 Y 0.08132863050719 0.61806312728907 0.08545966550002 88.906 > 5 10 Y 0.58132863050719 0.61806312728907 0.08545966550002 88.906 > 5 11 Y 0.17090732059102 0.12581578581808 0.43878835392831 88.906 > 6 12 Y 0.67090732059102 0.12581578581808 0.43878835392831 88.906 > 6 *13 Y 0.23995532105993 0.61684088707216 0.72097435330540 88.906 > 7 14 Y 0.73995532105993 0.61684088707216 0.72097435330540 88.906 > 7 15 Y 0.26004467894007 0.11684088707215 0.77902564669460 88.906 > 8 16 Y 0.76004467894007 0.11684088707215 0.77902564669460 88.906 > 8 17 Y 0.23995532105993 0.88315911292784 0.22097435330540 88.906 > 9 18 Y 0.73995532105993 0.88315911292784 0.22097435330540 88.906 > 9 19 Y 0.26004467894007 0.38315911292784 0.27902564669460 88.906 > 10 20 Y 0.76004467894007 0.38315911292784 0.27902564669460 88.906 > 10 21 Y 0.32909267940898 0.87418421418192 0.56121164607169 88.906 > 11 22 Y 0.82909267940898 0.87418421418192 0.56121164607169 88.906 > 11 23 Y 0.41867136949281 0.38193687271093 0.91454033449998 88.906 > 12 24 Y 0.91867136949281 0.38193687271093 0.91454033449998 88.906 > 12 25 Y 0.32909267940898 0.62581578581808 0.06121164607169 88.906 > 13 26 Y 0.82909267940898 0.62581578581808 0.06121164607169 88.906 > 13 27 Y 0.41867136949281 0.11806312728907 0.41454033449998 88.906 > 14 28 Y 0.91867136949281 0.11806312728907 0.41454033449998 88.906 > 14 29 Y 0.49024804251883 0.60261338772589 0.70005395865176 88.906 > 15 30 Y 0.99024804251883 0.60261338772589 0.70005395865176 88.906 > 15 31 Y 0.49024804251883 0.89738661227411 0.20005395865176 88.906 > 16 32 Y 0.99024804251883 0.89738661227411 0.20005395865176 88.906 > 16 *33 Ga 0.10379994064727 0.32832207421471 0.62362994525051 69.723 > 17 34 Ga 0.60379994064727 0.32832207421471 0.62362994525051 69.723 > 17 *35 Ga 0.17145798014531 0.83153105386517 0.89337759509803 69.723 > 18 36 Ga 0.67145798014531 0.83153105386517 0.89337759509803 69.723 > 18 37 Ga 0.10379994064727 0.17167792578529 0.12362994525051 69.723 > 19 38 Ga 0.60379994064727 0.17167792578529 0.12362994525051 69.723 > 19 39 Ga 0.17145798014531 0.66846894613483 0.39337759509803 69.723 > 20 40 Ga 0.67145798014531 0.66846894613483 0.39337759509803 69.723 > 20 41 Ga 0.32854201985469 0.33153105386517 0.60662240490197 69.723 > 21 42 Ga 0.82854201985469 0.33153105386517 0.60662240490197 69.723 > 21 43 Ga 0.39620005935273 0.82832207421471 0.87637005474949 69.723 > 22 44 Ga 0.89620005935273 0.82832207421471 0.87637005474949 69.723 > 22 45 Ga 0.32854201985469 0.16846894613483 0.10662240490197 69.723 > 23 46 Ga 0.82854201985469 0.16846894613483 0.10662240490197 69.723 > 23 47 Ga 0.39620005935273 0.67167792578529 0.37637005474949 69.723 > 24 48 Ga 0.89620005935273 0.67167792578529 0.37637005474949 69.723 > 24 *49 O 0.03304415640898 0.23498470943829 0.97337354374997 15.999 > 25 50 O 0.53304415640898 0.23498470943829 0.97337354374997 15.999 > 25 *51 O 0.03945019179336 0.50880404409654 0.89462530944852 15.999 > 26 52 O 0.53945019179336 0.50880404409654 0.89462530944852 15.999 > 26 *53 O 0.10432619959317 0.74456159849204 0.75160695895568 15.999 > 27 54 O 0.60432619959317 0.74456159849204 0.75160695895568 15.999 > 27 *55 O 0.11653408069683 0.24402904270629 0.77186356946333 15.999 > 28 56 O 0.61653408069683 0.24402904270629 0.77186356946333 15.999 > 28 57 O 0.03304415640898 0.26501529056170 0.47337354374997 15.999 > 29 58 O 0.53304415640898 0.26501529056170 0.47337354374997 15.999 > 29 59 O 0.03945019179336 0.99119595590346 0.39462530944852 15.999 > 30 60 O 0.53945019179336 0.99119595590346 0.39462530944852 15.999 > 30 *61 O 0.15181836485034 0.99505832607164 0.83976246925324 15.999 > 31 62 O 0.65181836485034 0.99505832607164 0.83976246925324 15.999 > 31 *63 O 0.10621078986203 0.49652274827029 0.65345140511553 15.999 > 32 64 O 0.60621078986203 0.49652274827029 0.65345140511553 15.999 > 32 65 O 0.10432619959317 0.75543840150796 0.25160695895569 15.999 > 33 66 O 0.60432619959317 0.75543840150796 0.25160695895569 15.999 > 33 67 O 0.11653408069683 0.25597095729371 0.27186356946333 15.999 > 34 68 O 0.61653408069683 0.25597095729371 0.27186356946333 15.999 > 34 *69 O 0.18400853155863 0.73507069248306 0.54705266084941 15.999 > 35 70 O 0.68400853155863 0.73507069248306 0.54705266084941 15.999 > 35 71 O 0.15181836485034 0.50494167392836 0.33976246925324 15.999 > 36 72 O 0.65181836485034 0.50494167392836 0.33976246925324 15.999 > 36 *73 O 0.21532351226729 0.25438042579595 0.61103975605192 15.999 > 37 74 O 0.71532351226729 0.25438042579595 0.61103975605192 15.999 > 37 *75 O 0.28216163838952 0.49319882798143 0.89213525531490 15.999 > 38 76 O 0.78216163838952 0.49319882798143 0.89213525531490 15.999 > 38 77 O 0.10621078986203 0.00347725172971 0.15345140511553 15.999 > 39 78 O 0.60621078986203 0.00347725172971 0.15345140511553 15.999 > 39 79 O 0.21783836161048 0.99319882798143 0.60786474468510 15.999 > 40 80 O 0.71783836161048 0.99319882798143 0.60786474468510 15.999 > 40 81 O 0.28467648773271 0.75438042579595 0.88896024394808 15.999 > 41 82 O 0.78467648773271 0.75438042579595 0.88896024394808 15.999 > 41 83 O 0.31599146844137 0.23507069248306 0.95294733915059 15.999 > 42 84 O 0.81599146844137 0.23507069248306 0.95294733915059 15.999 > 42 85 O 0.18400853155863 0.76492930751694 0.04705266084941 15.999 > 43 86 O 0.68400853155863 0.76492930751694 0.04705266084941 15.999 > 43 87 O 0.21532351226729 0.24561957420405 0.11103975605192 15.999 > 44 88 O 0.71532351226729 0.24561957420405 0.11103975605192 15.999 > 44 89 O 0.28216163838952 0.00680117201857 0.39213525531490 15.999 > 45 90 O 0.78216163838952 0.00680117201857 0.39213525531490 15.999 > 45 91 O 0.39378921013797 0.99652274827029 0.84654859488447 15.999 > 46 92 O 0.89378921013797 0.99652274827029 0.84654859488447 15.999 > 46 93 O 0.21783836161048 0.50680117201857 0.10786474468510 15.999 > 47 94 O 0.71783836161048 0.50680117201857 0.10786474468510 15.999 > 47 95 O 0.28467648773271 0.74561957420405 0.38896024394808 15.999 > 48 96 O 0.78467648773271 0.74561957420405 0.38896024394808 15.999 > 48 97 O 0.34818163514966 0.49505832607164 0.66023753074676 15.999 > 49 98 O 0.84818163514966 0.49505832607164 0.66023753074676 15.999 > 49 99 O 0.31599146844137 0.26492930751694 0.45294733915059 15.999 > 50 100 O 0.81599146844137 0.26492930751694 0.45294733915059 15.999 > 50 101 O 0.38346591930317 0.74402904270629 0.72813643053667 15.999 > 51 102 O 0.88346591930317 0.74402904270629 0.72813643053667 15.999 > 51 103 O 0.39567380040683 0.24456159849204 0.74839304104432 15.999 > 52 104 O 0.89567380040683 0.24456159849204 0.74839304104432 15.999 > 52 105 O 0.39378921013797 0.50347725172971 0.34654859488447 15.999 > 53 106 O 0.89378921013797 0.50347725172971 0.34654859488447 15.999 > 53 107 O 0.34818163514966 0.00494167392836 0.16023753074676 15.999 > 54 108 O 0.84818163514966 0.00494167392836 0.16023753074676 15.999 > 54 109 O 0.46054980820664 0.00880404409654 0.60537469055148 15.999 > 55 110 O 0.96054980820664 0.00880404409654 0.60537469055148 15.999 > 55 111 O 0.46695584359102 0.73498470943829 0.52662645625003 15.999 > 56 112 O 0.96695584359102 0.73498470943829 0.52662645625003 15.999 > 56 113 O 0.38346591930317 0.75597095729371 0.22813643053667 15.999 > 57 114 O 0.88346591930317 0.75597095729371 0.22813643053667 15.999 > 57 115 O 0.39567380040683 0.25543840150796 0.24839304104432 15.999 > 58 116 O 0.89567380040683 0.25543840150796 0.24839304104432 15.999 > 58 117 O 0.46054980820664 0.49119595590346 0.10537469055148 15.999 > 59 118 O 0.96054980820664 0.49119595590346 0.10537469055148 15.999 > 59 119 O 0.46695584359102 0.76501529056171 0.02662645625003 15.999 > 60 120 O 0.96695584359102 0.76501529056171 0.02662645625003 15.999 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8723002 0.0000000 0.0247015 0.0000000 3.9874278 0.0000000 0.0247036 0.0000000 3.8920880 -------------------------- Born effective charges -------------------------- 1 Y 4.3392881 -0.0341306 0.0024729 -0.0440457 3.8391220 0.4486469 -0.0030287 0.5958904 3.3635810 2 Y 4.3392881 0.0341306 0.0024729 0.0440457 3.8391220 -0.4486469 -0.0030287 -0.5958904 3.3635810 3 Y 4.1136979 0.0921934 0.0427475 0.0716499 3.8282967 -0.4481355 0.0287520 -0.2746333 3.2493441 4 Y 3.6910647 0.0616523 0.0362922 0.0570678 3.7500444 0.2706680 0.0599265 0.1507685 3.6065923 5 Y 4.1136979 -0.0921934 0.0427475 -0.0716499 3.8282967 0.4481355 0.0287520 0.2746333 3.2493441 6 Y 3.6910647 -0.0616523 0.0362922 -0.0570678 3.7500444 -0.2706680 0.0599265 -0.1507685 3.6065923 7 Y 3.6946333 0.0045723 0.0673437 0.0038251 3.8061273 -0.2289908 0.0926694 -0.4663850 3.7507680 8 Y 3.6946333 -0.0045723 0.0673437 -0.0038251 3.8061273 0.2289908 0.0926694 0.4663850 3.7507680 9 Y 3.6946333 -0.0045723 0.0673437 -0.0038251 3.8061273 0.2289908 0.0926694 0.4663850 3.7507680 10 Y 3.6946333 0.0045723 0.0673437 0.0038251 3.8061273 -0.2289908 0.0926694 -0.4663850 3.7507680 11 Y 3.6910647 -0.0616523 0.0362922 -0.0570678 3.7500444 -0.2706680 0.0599265 -0.1507685 3.6065923 12 Y 4.1136979 -0.0921934 0.0427475 -0.0716499 3.8282967 0.4481355 0.0287520 0.2746333 3.2493441 13 Y 3.6910647 0.0616523 0.0362922 0.0570678 3.7500444 0.2706680 0.0599265 0.1507685 3.6065923 14 Y 4.1136979 0.0921934 0.0427475 0.0716499 3.8282967 -0.4481355 0.0287520 -0.2746333 3.2493441 15 Y 4.3392881 0.0341306 0.0024729 0.0440457 3.8391220 -0.4486469 -0.0030287 -0.5958904 3.3635810 16 Y 4.3392881 -0.0341306 0.0024729 -0.0440457 3.8391220 0.4486469 -0.0030287 0.5958904 3.3635810 17 Ga 2.2395536 -0.2191015 0.0244784 -0.2049359 2.8622229 0.1877502 0.0371773 0.2727919 2.9983661 18 Ga 2.2274588 -0.2188116 0.0380156 -0.2193593 2.8254056 -0.1536440 0.0157650 -0.3079253 3.0745681 19 Ga 2.2395536 0.2191015 0.0244784 0.2049359 2.8622229 -0.1877502 0.0371773 -0.2727919 2.9983661 20 Ga 2.2274588 0.2188116 0.0380156 0.2193593 2.8254056 0.1536440 0.0157650 0.3079253 3.0745681 21 Ga 2.2274588 0.2188116 0.0380156 0.2193593 2.8254056 0.1536440 0.0157650 0.3079253 3.0745681 22 Ga 2.2395536 0.2191015 0.0244784 0.2049359 2.8622229 -0.1877502 0.0371773 -0.2727919 2.9983661 23 Ga 2.2274588 -0.2188116 0.0380156 -0.2193593 2.8254056 -0.1536440 0.0157650 -0.3079253 3.0745681 24 Ga 2.2395536 -0.2191015 0.0244784 -0.2049359 2.8622229 0.1877502 0.0371773 0.2727919 2.9983661 25 O -2.0591444 0.3597516 -0.4022420 0.2634301 -2.1754598 0.0450618 -0.2153734 0.0804664 -2.4319249 26 O -2.4215758 0.0127027 -0.0495163 -0.0300425 -2.2586815 0.1217386 -0.0734231 0.1790843 -2.5684936 27 O -2.1724985 -0.4177523 -0.3424664 -0.3003433 -2.4289345 -0.0822173 -0.1602749 0.0350225 -2.2381778 28 O -2.1833407 -0.3325689 0.2404046 -0.1949093 -2.3641284 -0.1129244 0.0837880 -0.1452780 -2.3718931 29 O -2.0591444 -0.3597516 -0.4022420 -0.2634301 -2.1754598 -0.0450618 -0.2153734 -0.0804664 -2.4319249 30 O -2.4215758 -0.0127027 -0.0495163 0.0300425 -2.2586815 -0.1217386 -0.0734231 -0.1790843 -2.5684936 31 O -2.2638764 0.0334064 0.0054751 0.0646087 -2.5785170 0.3626825 0.0219320 0.2193573 -1.6840279 32 O -2.3057343 0.0673641 -0.0512124 0.0869213 -2.6779021 -0.4112559 -0.0653082 -0.3012483 -1.5976338 33 O -2.1724985 0.4177523 -0.3424664 0.3003433 -2.4289345 0.0822173 -0.1602749 -0.0350225 -2.2381778 34 O -2.1833407 0.3325689 0.2404046 0.1949093 -2.3641284 0.1129244 0.0837880 0.1452780 -2.3718931 35 O -2.0360633 0.2828981 0.2924183 0.1805518 -2.1065962 0.1749965 0.1150220 0.0477621 -2.6197156 36 O -2.2638764 -0.0334064 0.0054751 -0.0646087 -2.5785170 -0.3626825 0.0219320 -0.2193573 -1.6840279 37 O -2.3359805 -0.0066060 0.0256723 -0.0051718 -1.8956434 -0.0542555 0.0062982 -0.1629467 -2.0885962 38 O -2.5274824 -0.0546104 0.0701166 -0.0150022 -2.4253558 0.1207774 0.0560780 0.2460886 -2.4427565 39 O -2.3057343 -0.0673641 -0.0512124 -0.0869213 -2.6779021 0.4112559 -0.0653082 0.3012483 -1.5976338 40 O -2.5274824 0.0546104 0.0701166 0.0150022 -2.4253558 -0.1207774 0.0560780 -0.2460886 -2.4427565 41 O -2.3359805 0.0066060 0.0256723 0.0051718 -1.8956434 0.0542555 0.0062982 0.1629467 -2.0885962 42 O -2.0360633 -0.2828981 0.2924183 -0.1805518 -2.1065962 -0.1749965 0.1150220 -0.0477621 -2.6197156 43 O -2.0360633 -0.2828981 0.2924183 -0.1805518 -2.1065962 -0.1749965 0.1150220 -0.0477621 -2.6197156 44 O -2.3359805 0.0066060 0.0256723 0.0051718 -1.8956434 0.0542555 0.0062982 0.1629467 -2.0885962 45 O -2.5274824 0.0546104 0.0701166 0.0150022 -2.4253558 -0.1207774 0.0560780 -0.2460886 -2.4427565 46 O -2.3057343 -0.0673641 -0.0512124 -0.0869213 -2.6779021 0.4112559 -0.0653082 0.3012483 -1.5976338 47 O -2.5274824 -0.0546104 0.0701166 -0.0150022 -2.4253558 0.1207774 0.0560780 0.2460886 -2.4427565 48 O -2.3359805 -0.0066060 0.0256723 -0.0051718 -1.8956434 -0.0542555 0.0062982 -0.1629467 -2.0885962 49 O -2.2638764 -0.0334064 0.0054751 -0.0646087 -2.5785170 -0.3626825 0.0219320 -0.2193573 -1.6840279 50 O -2.0360633 0.2828981 0.2924183 0.1805518 -2.1065962 0.1749965 0.1150220 0.0477621 -2.6197156 51 O -2.1833407 0.3325689 0.2404046 0.1949093 -2.3641284 0.1129244 0.0837880 0.1452780 -2.3718931 52 O -2.1724985 0.4177523 -0.3424664 0.3003433 -2.4289345 0.0822173 -0.1602749 -0.0350225 -2.2381778 53 O -2.3057343 0.0673641 -0.0512124 0.0869213 -2.6779021 -0.4112559 -0.0653082 -0.3012483 -1.5976338 54 O -2.2638764 0.0334064 0.0054751 0.0646087 -2.5785170 0.3626825 0.0219320 0.2193573 -1.6840279 55 O -2.4215758 -0.0127027 -0.0495163 0.0300425 -2.2586815 -0.1217386 -0.0734231 -0.1790843 -2.5684936 56 O -2.0591444 -0.3597516 -0.4022420 -0.2634301 -2.1754598 -0.0450618 -0.2153734 -0.0804664 -2.4319249 57 O -2.1833407 -0.3325689 0.2404046 -0.1949093 -2.3641284 -0.1129244 0.0837880 -0.1452780 -2.3718931 58 O -2.1724985 -0.4177523 -0.3424664 -0.3003433 -2.4289345 -0.0822173 -0.1602749 0.0350225 -2.2381778 59 O -2.4215758 0.0127027 -0.0495163 -0.0300425 -2.2586815 0.1217386 -0.0734231 0.1790843 -2.5684936 60 O -2.0591444 0.3597516 -0.4022420 0.2634301 -2.1754598 0.0450618 -0.2153734 0.0804664 -2.4319249 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 274 eigenvectors found. (1) Complementary block size: 112 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 274 eigenvectors found. (1) Complementary block size: 112 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (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: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 82), data: (1800, 112) @ (112, 82) |-- (300, 274), data: True |-- (500, 470), data: False |-- (500, 18), data: (500, 48) @ (48, 18) |-- (250, 222), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 82), data: (1800, 112) @ (112, 82) |-- (300, 274), data: True |-- (500, 470), data: False |-- (500, 18), data: (500, 48) @ (48, 18) |-- (250, 222), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1840 - Time: 2.468 Solver_block: 200 / 1840 - Time: 2.134 Solver_block: 300 / 1840 - Time: 2.143 Solver_block: 400 / 1840 - Time: 2.141 Solver_block: 500 / 1840 - Time: 2.143 Solver_block: 600 / 1840 - Time: 2.141 Solver_block: 700 / 1840 - Time: 2.146 Solver_block: 800 / 1840 - Time: 2.138 Solver_block: 900 / 1840 - Time: 2.146 Solver_block: 1000 / 1840 - Time: 2.147 Solver_block: 1100 / 1840 - Time: 2.140 Solver_block: 1200 / 1840 - Time: 2.138 Solver_block: 1300 / 1840 - Time: 2.150 Solver_block: 1400 / 1840 - Time: 2.138 Solver_block: 1500 / 1840 - Time: 2.143 Solver_block: 1600 / 1840 - Time: 2.139 Solver_block: 1700 / 1840 - Time: 2.141 Solver_block: 1800 / 1840 - Time: 2.147 Solver_block: 1840 / 1840 - Time: 1.065 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 40.972 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 274 eigenvectors found. (1) Complementary block size: 112 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 274 eigenvectors found. (1) Complementary block size: 112 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (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: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 82), data: (1800, 112) @ (112, 82) |-- (300, 274), data: True |-- (500, 470), data: False |-- (500, 18), data: (500, 48) @ (48, 18) |-- (250, 222), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 82), data: (1800, 112) @ (112, 82) |-- (300, 274), data: True |-- (500, 470), data: False |-- (500, 18), data: (500, 48) @ (48, 18) |-- (250, 222), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), 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 2026-01-09 01:36:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:36:55]------------------------- 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 7.335390000000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.542296259999999 0.000000000000000 c -3.479165992948972 0.000000000000000 10.732686687943897 Atomic positions (fractional): 1 Y 0.01950391496233 0.10261338772589 0.79994604134824 88.906 2 Y 0.01950391496233 0.39738661227411 0.29994604134824 88.906 3 Y 0.16265726101437 0.88193687271093 0.58545966550002 88.906 4 Y 0.34181464118204 0.37418421418192 0.93878835392831 88.906 5 Y 0.16265726101437 0.61806312728907 0.08545966550002 88.906 6 Y 0.34181464118204 0.12581578581808 0.43878835392831 88.906 7 Y 0.47991064211986 0.61684088707216 0.72097435330540 88.906 8 Y 0.52008935788014 0.11684088707215 0.77902564669460 88.906 9 Y 0.47991064211986 0.88315911292784 0.22097435330540 88.906 10 Y 0.52008935788014 0.38315911292784 0.27902564669460 88.906 11 Y 0.65818535881796 0.87418421418192 0.56121164607169 88.906 12 Y 0.83734273898563 0.38193687271093 0.91454033449998 88.906 13 Y 0.65818535881796 0.62581578581808 0.06121164607169 88.906 14 Y 0.83734273898563 0.11806312728907 0.41454033449998 88.906 15 Y 0.98049608503767 0.60261338772589 0.70005395865176 88.906 16 Y 0.98049608503767 0.89738661227411 0.20005395865176 88.906 17 Ga 0.20759988129453 0.32832207421471 0.62362994525051 69.723 18 Ga 0.34291596029062 0.83153105386517 0.89337759509803 69.723 19 Ga 0.20759988129453 0.17167792578529 0.12362994525051 69.723 20 Ga 0.34291596029062 0.66846894613483 0.39337759509803 69.723 21 Ga 0.65708403970938 0.33153105386517 0.60662240490197 69.723 22 Ga 0.79240011870547 0.82832207421471 0.87637005474949 69.723 23 Ga 0.65708403970938 0.16846894613483 0.10662240490197 69.723 24 Ga 0.79240011870547 0.67167792578529 0.37637005474949 69.723 25 O 0.06608831281797 0.23498470943829 0.97337354374997 15.999 26 O 0.07890038358673 0.50880404409654 0.89462530944852 15.999 27 O 0.20865239918635 0.74456159849204 0.75160695895568 15.999 28 O 0.23306816139366 0.24402904270629 0.77186356946333 15.999 29 O 0.06608831281797 0.26501529056170 0.47337354374997 15.999 30 O 0.07890038358673 0.99119595590346 0.39462530944852 15.999 31 O 0.30363672970067 0.99505832607164 0.83976246925324 15.999 32 O 0.21242157972406 0.49652274827029 0.65345140511553 15.999 33 O 0.20865239918635 0.75543840150796 0.25160695895569 15.999 34 O 0.23306816139366 0.25597095729371 0.27186356946333 15.999 35 O 0.36801706311727 0.73507069248306 0.54705266084941 15.999 36 O 0.30363672970067 0.50494167392836 0.33976246925324 15.999 37 O 0.43064702453458 0.25438042579595 0.61103975605192 15.999 38 O 0.56432327677904 0.49319882798143 0.89213525531490 15.999 39 O 0.21242157972406 0.00347725172971 0.15345140511553 15.999 40 O 0.43567672322096 0.99319882798143 0.60786474468510 15.999 41 O 0.56935297546542 0.75438042579595 0.88896024394808 15.999 42 O 0.63198293688273 0.23507069248306 0.95294733915059 15.999 43 O 0.36801706311727 0.76492930751694 0.04705266084941 15.999 44 O 0.43064702453458 0.24561957420405 0.11103975605192 15.999 45 O 0.56432327677904 0.00680117201857 0.39213525531490 15.999 46 O 0.78757842027595 0.99652274827029 0.84654859488447 15.999 47 O 0.43567672322096 0.50680117201857 0.10786474468510 15.999 48 O 0.56935297546542 0.74561957420405 0.38896024394808 15.999 49 O 0.69636327029933 0.49505832607164 0.66023753074676 15.999 50 O 0.63198293688273 0.26492930751694 0.45294733915059 15.999 51 O 0.76693183860634 0.74402904270629 0.72813643053667 15.999 52 O 0.79134760081365 0.24456159849204 0.74839304104432 15.999 53 O 0.78757842027595 0.50347725172971 0.34654859488447 15.999 54 O 0.69636327029933 0.00494167392836 0.16023753074676 15.999 55 O 0.92109961641327 0.00880404409654 0.60537469055148 15.999 56 O 0.93391168718203 0.73498470943829 0.52662645625003 15.999 57 O 0.76693183860634 0.75597095729371 0.22813643053667 15.999 58 O 0.79134760081365 0.25543840150796 0.24839304104432 15.999 59 O 0.92109961641327 0.49119595590346 0.10537469055148 15.999 60 O 0.93391168718203 0.76501529056171 0.02662645625003 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.670780000000002 0.000000000000000 0.000000000000000 b 0.000000000000000 10.542296259999999 0.000000000000000 c -3.479165992948972 0.000000000000000 10.732686687943897 Atomic positions (fractional): 1 Y 0.00975195748117 0.10261338772589 0.79994604134824 88.906 > 1 2 Y 0.50975195748117 0.10261338772589 0.79994604134824 88.906 > 1 3 Y 0.00975195748117 0.39738661227411 0.29994604134824 88.906 > 3 4 Y 0.50975195748117 0.39738661227411 0.29994604134824 88.906 > 3 5 Y 0.08132863050719 0.88193687271093 0.58545966550002 88.906 > 5 6 Y 0.58132863050719 0.88193687271093 0.58545966550002 88.906 > 5 7 Y 0.17090732059102 0.37418421418192 0.93878835392831 88.906 > 7 8 Y 0.67090732059102 0.37418421418192 0.93878835392831 88.906 > 7 9 Y 0.08132863050719 0.61806312728907 0.08545966550002 88.906 > 9 10 Y 0.58132863050719 0.61806312728907 0.08545966550002 88.906 > 9 11 Y 0.17090732059102 0.12581578581808 0.43878835392831 88.906 > 11 12 Y 0.67090732059102 0.12581578581808 0.43878835392831 88.906 > 11 13 Y 0.23995532105993 0.61684088707216 0.72097435330540 88.906 > 13 14 Y 0.73995532105993 0.61684088707216 0.72097435330540 88.906 > 13 15 Y 0.26004467894007 0.11684088707215 0.77902564669460 88.906 > 15 16 Y 0.76004467894007 0.11684088707215 0.77902564669460 88.906 > 15 17 Y 0.23995532105993 0.88315911292784 0.22097435330540 88.906 > 17 18 Y 0.73995532105993 0.88315911292784 0.22097435330540 88.906 > 17 19 Y 0.26004467894007 0.38315911292784 0.27902564669460 88.906 > 19 20 Y 0.76004467894007 0.38315911292784 0.27902564669460 88.906 > 19 21 Y 0.32909267940898 0.87418421418192 0.56121164607169 88.906 > 21 22 Y 0.82909267940898 0.87418421418192 0.56121164607169 88.906 > 21 23 Y 0.41867136949281 0.38193687271093 0.91454033449998 88.906 > 23 24 Y 0.91867136949281 0.38193687271093 0.91454033449998 88.906 > 23 25 Y 0.32909267940898 0.62581578581808 0.06121164607169 88.906 > 25 26 Y 0.82909267940898 0.62581578581808 0.06121164607169 88.906 > 25 27 Y 0.41867136949281 0.11806312728907 0.41454033449998 88.906 > 27 28 Y 0.91867136949281 0.11806312728907 0.41454033449998 88.906 > 27 29 Y 0.49024804251883 0.60261338772589 0.70005395865176 88.906 > 29 30 Y 0.99024804251883 0.60261338772589 0.70005395865176 88.906 > 29 31 Y 0.49024804251883 0.89738661227411 0.20005395865176 88.906 > 31 32 Y 0.99024804251883 0.89738661227411 0.20005395865176 88.906 > 31 33 Ga 0.10379994064727 0.32832207421471 0.62362994525051 69.723 > 33 34 Ga 0.60379994064727 0.32832207421471 0.62362994525051 69.723 > 33 35 Ga 0.17145798014531 0.83153105386517 0.89337759509803 69.723 > 35 36 Ga 0.67145798014531 0.83153105386517 0.89337759509803 69.723 > 35 37 Ga 0.10379994064727 0.17167792578529 0.12362994525051 69.723 > 37 38 Ga 0.60379994064727 0.17167792578529 0.12362994525051 69.723 > 37 39 Ga 0.17145798014531 0.66846894613483 0.39337759509803 69.723 > 39 40 Ga 0.67145798014531 0.66846894613483 0.39337759509803 69.723 > 39 41 Ga 0.32854201985469 0.33153105386517 0.60662240490197 69.723 > 41 42 Ga 0.82854201985469 0.33153105386517 0.60662240490197 69.723 > 41 43 Ga 0.39620005935273 0.82832207421471 0.87637005474949 69.723 > 43 44 Ga 0.89620005935273 0.82832207421471 0.87637005474949 69.723 > 43 45 Ga 0.32854201985469 0.16846894613483 0.10662240490197 69.723 > 45 46 Ga 0.82854201985469 0.16846894613483 0.10662240490197 69.723 > 45 47 Ga 0.39620005935273 0.67167792578529 0.37637005474949 69.723 > 47 48 Ga 0.89620005935273 0.67167792578529 0.37637005474949 69.723 > 47 49 O 0.03304415640898 0.23498470943829 0.97337354374997 15.999 > 49 50 O 0.53304415640898 0.23498470943829 0.97337354374997 15.999 > 49 51 O 0.03945019179336 0.50880404409654 0.89462530944852 15.999 > 51 52 O 0.53945019179336 0.50880404409654 0.89462530944852 15.999 > 51 53 O 0.10432619959317 0.74456159849204 0.75160695895568 15.999 > 53 54 O 0.60432619959317 0.74456159849204 0.75160695895568 15.999 > 53 55 O 0.11653408069683 0.24402904270629 0.77186356946333 15.999 > 55 56 O 0.61653408069683 0.24402904270629 0.77186356946333 15.999 > 55 57 O 0.03304415640898 0.26501529056170 0.47337354374997 15.999 > 57 58 O 0.53304415640898 0.26501529056170 0.47337354374997 15.999 > 57 59 O 0.03945019179336 0.99119595590346 0.39462530944852 15.999 > 59 60 O 0.53945019179336 0.99119595590346 0.39462530944852 15.999 > 59 61 O 0.15181836485034 0.99505832607164 0.83976246925324 15.999 > 61 62 O 0.65181836485034 0.99505832607164 0.83976246925324 15.999 > 61 63 O 0.10621078986203 0.49652274827029 0.65345140511553 15.999 > 63 64 O 0.60621078986203 0.49652274827029 0.65345140511553 15.999 > 63 65 O 0.10432619959317 0.75543840150796 0.25160695895569 15.999 > 65 66 O 0.60432619959317 0.75543840150796 0.25160695895569 15.999 > 65 67 O 0.11653408069683 0.25597095729371 0.27186356946333 15.999 > 67 68 O 0.61653408069683 0.25597095729371 0.27186356946333 15.999 > 67 69 O 0.18400853155863 0.73507069248306 0.54705266084941 15.999 > 69 70 O 0.68400853155863 0.73507069248306 0.54705266084941 15.999 > 69 71 O 0.15181836485034 0.50494167392836 0.33976246925324 15.999 > 71 72 O 0.65181836485034 0.50494167392836 0.33976246925324 15.999 > 71 73 O 0.21532351226729 0.25438042579595 0.61103975605192 15.999 > 73 74 O 0.71532351226729 0.25438042579595 0.61103975605192 15.999 > 73 75 O 0.28216163838952 0.49319882798143 0.89213525531490 15.999 > 75 76 O 0.78216163838952 0.49319882798143 0.89213525531490 15.999 > 75 77 O 0.10621078986203 0.00347725172971 0.15345140511553 15.999 > 77 78 O 0.60621078986203 0.00347725172971 0.15345140511553 15.999 > 77 79 O 0.21783836161048 0.99319882798143 0.60786474468510 15.999 > 79 80 O 0.71783836161048 0.99319882798143 0.60786474468510 15.999 > 79 81 O 0.28467648773271 0.75438042579595 0.88896024394808 15.999 > 81 82 O 0.78467648773271 0.75438042579595 0.88896024394808 15.999 > 81 83 O 0.31599146844137 0.23507069248306 0.95294733915059 15.999 > 83 84 O 0.81599146844137 0.23507069248306 0.95294733915059 15.999 > 83 85 O 0.18400853155863 0.76492930751694 0.04705266084941 15.999 > 85 86 O 0.68400853155863 0.76492930751694 0.04705266084941 15.999 > 85 87 O 0.21532351226729 0.24561957420405 0.11103975605192 15.999 > 87 88 O 0.71532351226729 0.24561957420405 0.11103975605192 15.999 > 87 89 O 0.28216163838952 0.00680117201857 0.39213525531490 15.999 > 89 90 O 0.78216163838952 0.00680117201857 0.39213525531490 15.999 > 89 91 O 0.39378921013797 0.99652274827029 0.84654859488447 15.999 > 91 92 O 0.89378921013797 0.99652274827029 0.84654859488447 15.999 > 91 93 O 0.21783836161048 0.50680117201857 0.10786474468510 15.999 > 93 94 O 0.71783836161048 0.50680117201857 0.10786474468510 15.999 > 93 95 O 0.28467648773271 0.74561957420405 0.38896024394808 15.999 > 95 96 O 0.78467648773271 0.74561957420405 0.38896024394808 15.999 > 95 97 O 0.34818163514966 0.49505832607164 0.66023753074676 15.999 > 97 98 O 0.84818163514966 0.49505832607164 0.66023753074676 15.999 > 97 99 O 0.31599146844137 0.26492930751694 0.45294733915059 15.999 > 99 100 O 0.81599146844137 0.26492930751694 0.45294733915059 15.999 > 99 101 O 0.38346591930317 0.74402904270629 0.72813643053667 15.999 > 101 102 O 0.88346591930317 0.74402904270629 0.72813643053667 15.999 > 101 103 O 0.39567380040683 0.24456159849204 0.74839304104432 15.999 > 103 104 O 0.89567380040683 0.24456159849204 0.74839304104432 15.999 > 103 105 O 0.39378921013797 0.50347725172971 0.34654859488447 15.999 > 105 106 O 0.89378921013797 0.50347725172971 0.34654859488447 15.999 > 105 107 O 0.34818163514966 0.00494167392836 0.16023753074676 15.999 > 107 108 O 0.84818163514966 0.00494167392836 0.16023753074676 15.999 > 107 109 O 0.46054980820664 0.00880404409654 0.60537469055148 15.999 > 109 110 O 0.96054980820664 0.00880404409654 0.60537469055148 15.999 > 109 111 O 0.46695584359102 0.73498470943829 0.52662645625003 15.999 > 111 112 O 0.96695584359102 0.73498470943829 0.52662645625003 15.999 > 111 113 O 0.38346591930317 0.75597095729371 0.22813643053667 15.999 > 113 114 O 0.88346591930317 0.75597095729371 0.22813643053667 15.999 > 113 115 O 0.39567380040683 0.25543840150796 0.24839304104432 15.999 > 115 116 O 0.89567380040683 0.25543840150796 0.24839304104432 15.999 > 115 117 O 0.46054980820664 0.49119595590346 0.10537469055148 15.999 > 117 118 O 0.96054980820664 0.49119595590346 0.10537469055148 15.999 > 117 119 O 0.46695584359102 0.76501529056171 0.02662645625003 15.999 > 119 120 O 0.96695584359102 0.76501529056171 0.02662645625003 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8723002 0.0000000 0.0247015 0.0000000 3.9874278 0.0000000 0.0247036 0.0000000 3.8920880 -------------------------- Born effective charges -------------------------- 1 Y 4.3392881 -0.0341306 0.0024729 -0.0440457 3.8391220 0.4486469 -0.0030287 0.5958904 3.3635810 2 Y 4.3392881 0.0341306 0.0024729 0.0440457 3.8391220 -0.4486469 -0.0030287 -0.5958904 3.3635810 3 Y 4.1136979 0.0921934 0.0427475 0.0716499 3.8282967 -0.4481355 0.0287520 -0.2746333 3.2493441 4 Y 3.6910647 0.0616523 0.0362922 0.0570678 3.7500444 0.2706680 0.0599265 0.1507685 3.6065923 5 Y 4.1136979 -0.0921934 0.0427475 -0.0716499 3.8282967 0.4481355 0.0287520 0.2746333 3.2493441 6 Y 3.6910647 -0.0616523 0.0362922 -0.0570678 3.7500444 -0.2706680 0.0599265 -0.1507685 3.6065923 7 Y 3.6946333 0.0045723 0.0673437 0.0038251 3.8061273 -0.2289908 0.0926694 -0.4663850 3.7507680 8 Y 3.6946333 -0.0045723 0.0673437 -0.0038251 3.8061273 0.2289908 0.0926694 0.4663850 3.7507680 9 Y 3.6946333 -0.0045723 0.0673437 -0.0038251 3.8061273 0.2289908 0.0926694 0.4663850 3.7507680 10 Y 3.6946333 0.0045723 0.0673437 0.0038251 3.8061273 -0.2289908 0.0926694 -0.4663850 3.7507680 11 Y 3.6910647 -0.0616523 0.0362922 -0.0570678 3.7500444 -0.2706680 0.0599265 -0.1507685 3.6065923 12 Y 4.1136979 -0.0921934 0.0427475 -0.0716499 3.8282967 0.4481355 0.0287520 0.2746333 3.2493441 13 Y 3.6910647 0.0616523 0.0362922 0.0570678 3.7500444 0.2706680 0.0599265 0.1507685 3.6065923 14 Y 4.1136979 0.0921934 0.0427475 0.0716499 3.8282967 -0.4481355 0.0287520 -0.2746333 3.2493441 15 Y 4.3392881 0.0341306 0.0024729 0.0440457 3.8391220 -0.4486469 -0.0030287 -0.5958904 3.3635810 16 Y 4.3392881 -0.0341306 0.0024729 -0.0440457 3.8391220 0.4486469 -0.0030287 0.5958904 3.3635810 17 Ga 2.2395536 -0.2191015 0.0244784 -0.2049359 2.8622229 0.1877502 0.0371773 0.2727919 2.9983661 18 Ga 2.2274588 -0.2188116 0.0380156 -0.2193593 2.8254056 -0.1536440 0.0157650 -0.3079253 3.0745681 19 Ga 2.2395536 0.2191015 0.0244784 0.2049359 2.8622229 -0.1877502 0.0371773 -0.2727919 2.9983661 20 Ga 2.2274588 0.2188116 0.0380156 0.2193593 2.8254056 0.1536440 0.0157650 0.3079253 3.0745681 21 Ga 2.2274588 0.2188116 0.0380156 0.2193593 2.8254056 0.1536440 0.0157650 0.3079253 3.0745681 22 Ga 2.2395536 0.2191015 0.0244784 0.2049359 2.8622229 -0.1877502 0.0371773 -0.2727919 2.9983661 23 Ga 2.2274588 -0.2188116 0.0380156 -0.2193593 2.8254056 -0.1536440 0.0157650 -0.3079253 3.0745681 24 Ga 2.2395536 -0.2191015 0.0244784 -0.2049359 2.8622229 0.1877502 0.0371773 0.2727919 2.9983661 25 O -2.0591444 0.3597516 -0.4022420 0.2634301 -2.1754598 0.0450618 -0.2153734 0.0804664 -2.4319249 26 O -2.4215758 0.0127027 -0.0495163 -0.0300425 -2.2586815 0.1217386 -0.0734231 0.1790843 -2.5684936 27 O -2.1724985 -0.4177523 -0.3424664 -0.3003433 -2.4289345 -0.0822173 -0.1602749 0.0350225 -2.2381778 28 O -2.1833407 -0.3325689 0.2404046 -0.1949093 -2.3641284 -0.1129244 0.0837880 -0.1452780 -2.3718931 29 O -2.0591444 -0.3597516 -0.4022420 -0.2634301 -2.1754598 -0.0450618 -0.2153734 -0.0804664 -2.4319249 30 O -2.4215758 -0.0127027 -0.0495163 0.0300425 -2.2586815 -0.1217386 -0.0734231 -0.1790843 -2.5684936 31 O -2.2638764 0.0334064 0.0054751 0.0646087 -2.5785170 0.3626825 0.0219320 0.2193573 -1.6840279 32 O -2.3057343 0.0673641 -0.0512124 0.0869213 -2.6779021 -0.4112559 -0.0653082 -0.3012483 -1.5976338 33 O -2.1724985 0.4177523 -0.3424664 0.3003433 -2.4289345 0.0822173 -0.1602749 -0.0350225 -2.2381778 34 O -2.1833407 0.3325689 0.2404046 0.1949093 -2.3641284 0.1129244 0.0837880 0.1452780 -2.3718931 35 O -2.0360633 0.2828981 0.2924183 0.1805518 -2.1065962 0.1749965 0.1150220 0.0477621 -2.6197156 36 O -2.2638764 -0.0334064 0.0054751 -0.0646087 -2.5785170 -0.3626825 0.0219320 -0.2193573 -1.6840279 37 O -2.3359805 -0.0066060 0.0256723 -0.0051718 -1.8956434 -0.0542555 0.0062982 -0.1629467 -2.0885962 38 O -2.5274824 -0.0546104 0.0701166 -0.0150022 -2.4253558 0.1207774 0.0560780 0.2460886 -2.4427565 39 O -2.3057343 -0.0673641 -0.0512124 -0.0869213 -2.6779021 0.4112559 -0.0653082 0.3012483 -1.5976338 40 O -2.5274824 0.0546104 0.0701166 0.0150022 -2.4253558 -0.1207774 0.0560780 -0.2460886 -2.4427565 41 O -2.3359805 0.0066060 0.0256723 0.0051718 -1.8956434 0.0542555 0.0062982 0.1629467 -2.0885962 42 O -2.0360633 -0.2828981 0.2924183 -0.1805518 -2.1065962 -0.1749965 0.1150220 -0.0477621 -2.6197156 43 O -2.0360633 -0.2828981 0.2924183 -0.1805518 -2.1065962 -0.1749965 0.1150220 -0.0477621 -2.6197156 44 O -2.3359805 0.0066060 0.0256723 0.0051718 -1.8956434 0.0542555 0.0062982 0.1629467 -2.0885962 45 O -2.5274824 0.0546104 0.0701166 0.0150022 -2.4253558 -0.1207774 0.0560780 -0.2460886 -2.4427565 46 O -2.3057343 -0.0673641 -0.0512124 -0.0869213 -2.6779021 0.4112559 -0.0653082 0.3012483 -1.5976338 47 O -2.5274824 -0.0546104 0.0701166 -0.0150022 -2.4253558 0.1207774 0.0560780 0.2460886 -2.4427565 48 O -2.3359805 -0.0066060 0.0256723 -0.0051718 -1.8956434 -0.0542555 0.0062982 -0.1629467 -2.0885962 49 O -2.2638764 -0.0334064 0.0054751 -0.0646087 -2.5785170 -0.3626825 0.0219320 -0.2193573 -1.6840279 50 O -2.0360633 0.2828981 0.2924183 0.1805518 -2.1065962 0.1749965 0.1150220 0.0477621 -2.6197156 51 O -2.1833407 0.3325689 0.2404046 0.1949093 -2.3641284 0.1129244 0.0837880 0.1452780 -2.3718931 52 O -2.1724985 0.4177523 -0.3424664 0.3003433 -2.4289345 0.0822173 -0.1602749 -0.0350225 -2.2381778 53 O -2.3057343 0.0673641 -0.0512124 0.0869213 -2.6779021 -0.4112559 -0.0653082 -0.3012483 -1.5976338 54 O -2.2638764 0.0334064 0.0054751 0.0646087 -2.5785170 0.3626825 0.0219320 0.2193573 -1.6840279 55 O -2.4215758 -0.0127027 -0.0495163 0.0300425 -2.2586815 -0.1217386 -0.0734231 -0.1790843 -2.5684936 56 O -2.0591444 -0.3597516 -0.4022420 -0.2634301 -2.1754598 -0.0450618 -0.2153734 -0.0804664 -2.4319249 57 O -2.1833407 -0.3325689 0.2404046 -0.1949093 -2.3641284 -0.1129244 0.0837880 -0.1452780 -2.3718931 58 O -2.1724985 -0.4177523 -0.3424664 -0.3003433 -2.4289345 -0.0822173 -0.1602749 0.0350225 -2.2381778 59 O -2.4215758 0.0127027 -0.0495163 -0.0300425 -2.2586815 0.1217386 -0.0734231 0.1790843 -2.5684936 60 O -2.0591444 0.3597516 -0.4022420 0.2634301 -2.1754598 0.0450618 -0.2153734 0.0804664 -2.4319249 ---------------------------------------------------------------------------- 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 7, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 51, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 55, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 63, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 75, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) 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 2026-01-09 01:38:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:38:13]------------------------- 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 7.335390000000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.542296259999999 0.000000000000000 c -3.479165992948972 0.000000000000000 10.732686687943897 Atomic positions (fractional): 1 Y 0.01950391496233 0.10261338772589 0.79994604134824 88.906 2 Y 0.01950391496233 0.39738661227411 0.29994604134824 88.906 3 Y 0.16265726101437 0.88193687271093 0.58545966550002 88.906 4 Y 0.34181464118204 0.37418421418192 0.93878835392831 88.906 5 Y 0.16265726101437 0.61806312728907 0.08545966550002 88.906 6 Y 0.34181464118204 0.12581578581808 0.43878835392831 88.906 7 Y 0.47991064211986 0.61684088707216 0.72097435330540 88.906 8 Y 0.52008935788014 0.11684088707215 0.77902564669460 88.906 9 Y 0.47991064211986 0.88315911292784 0.22097435330540 88.906 10 Y 0.52008935788014 0.38315911292784 0.27902564669460 88.906 11 Y 0.65818535881796 0.87418421418192 0.56121164607169 88.906 12 Y 0.83734273898563 0.38193687271093 0.91454033449998 88.906 13 Y 0.65818535881796 0.62581578581808 0.06121164607169 88.906 14 Y 0.83734273898563 0.11806312728907 0.41454033449998 88.906 15 Y 0.98049608503767 0.60261338772589 0.70005395865176 88.906 16 Y 0.98049608503767 0.89738661227411 0.20005395865176 88.906 17 Ga 0.20759988129453 0.32832207421471 0.62362994525051 69.723 18 Ga 0.34291596029062 0.83153105386517 0.89337759509803 69.723 19 Ga 0.20759988129453 0.17167792578529 0.12362994525051 69.723 20 Ga 0.34291596029062 0.66846894613483 0.39337759509803 69.723 21 Ga 0.65708403970938 0.33153105386517 0.60662240490197 69.723 22 Ga 0.79240011870547 0.82832207421471 0.87637005474949 69.723 23 Ga 0.65708403970938 0.16846894613483 0.10662240490197 69.723 24 Ga 0.79240011870547 0.67167792578529 0.37637005474949 69.723 25 O 0.06608831281797 0.23498470943829 0.97337354374997 15.999 26 O 0.07890038358673 0.50880404409654 0.89462530944852 15.999 27 O 0.20865239918635 0.74456159849204 0.75160695895568 15.999 28 O 0.23306816139366 0.24402904270629 0.77186356946333 15.999 29 O 0.06608831281797 0.26501529056170 0.47337354374997 15.999 30 O 0.07890038358673 0.99119595590346 0.39462530944852 15.999 31 O 0.30363672970067 0.99505832607164 0.83976246925324 15.999 32 O 0.21242157972406 0.49652274827029 0.65345140511553 15.999 33 O 0.20865239918635 0.75543840150796 0.25160695895569 15.999 34 O 0.23306816139366 0.25597095729371 0.27186356946333 15.999 35 O 0.36801706311727 0.73507069248306 0.54705266084941 15.999 36 O 0.30363672970067 0.50494167392836 0.33976246925324 15.999 37 O 0.43064702453458 0.25438042579595 0.61103975605192 15.999 38 O 0.56432327677904 0.49319882798143 0.89213525531490 15.999 39 O 0.21242157972406 0.00347725172971 0.15345140511553 15.999 40 O 0.43567672322096 0.99319882798143 0.60786474468510 15.999 41 O 0.56935297546542 0.75438042579595 0.88896024394808 15.999 42 O 0.63198293688273 0.23507069248306 0.95294733915059 15.999 43 O 0.36801706311727 0.76492930751694 0.04705266084941 15.999 44 O 0.43064702453458 0.24561957420405 0.11103975605192 15.999 45 O 0.56432327677904 0.00680117201857 0.39213525531490 15.999 46 O 0.78757842027595 0.99652274827029 0.84654859488447 15.999 47 O 0.43567672322096 0.50680117201857 0.10786474468510 15.999 48 O 0.56935297546542 0.74561957420405 0.38896024394808 15.999 49 O 0.69636327029933 0.49505832607164 0.66023753074676 15.999 50 O 0.63198293688273 0.26492930751694 0.45294733915059 15.999 51 O 0.76693183860634 0.74402904270629 0.72813643053667 15.999 52 O 0.79134760081365 0.24456159849204 0.74839304104432 15.999 53 O 0.78757842027595 0.50347725172971 0.34654859488447 15.999 54 O 0.69636327029933 0.00494167392836 0.16023753074676 15.999 55 O 0.92109961641327 0.00880404409654 0.60537469055148 15.999 56 O 0.93391168718203 0.73498470943829 0.52662645625003 15.999 57 O 0.76693183860634 0.75597095729371 0.22813643053667 15.999 58 O 0.79134760081365 0.25543840150796 0.24839304104432 15.999 59 O 0.92109961641327 0.49119595590346 0.10537469055148 15.999 60 O 0.93391168718203 0.76501529056171 0.02662645625003 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.670780000000002 0.000000000000000 0.000000000000000 b 0.000000000000000 10.542296259999999 0.000000000000000 c -3.479165992948972 0.000000000000000 10.732686687943897 Atomic positions (fractional): 1 Y 0.00975195748117 0.10261338772589 0.79994604134824 88.906 > 1 2 Y 0.50975195748117 0.10261338772589 0.79994604134824 88.906 > 1 3 Y 0.00975195748117 0.39738661227411 0.29994604134824 88.906 > 3 4 Y 0.50975195748117 0.39738661227411 0.29994604134824 88.906 > 3 5 Y 0.08132863050719 0.88193687271093 0.58545966550002 88.906 > 5 6 Y 0.58132863050719 0.88193687271093 0.58545966550002 88.906 > 5 7 Y 0.17090732059102 0.37418421418192 0.93878835392831 88.906 > 7 8 Y 0.67090732059102 0.37418421418192 0.93878835392831 88.906 > 7 9 Y 0.08132863050719 0.61806312728907 0.08545966550002 88.906 > 9 10 Y 0.58132863050719 0.61806312728907 0.08545966550002 88.906 > 9 11 Y 0.17090732059102 0.12581578581808 0.43878835392831 88.906 > 11 12 Y 0.67090732059102 0.12581578581808 0.43878835392831 88.906 > 11 13 Y 0.23995532105993 0.61684088707216 0.72097435330540 88.906 > 13 14 Y 0.73995532105993 0.61684088707216 0.72097435330540 88.906 > 13 15 Y 0.26004467894007 0.11684088707215 0.77902564669460 88.906 > 15 16 Y 0.76004467894007 0.11684088707215 0.77902564669460 88.906 > 15 17 Y 0.23995532105993 0.88315911292784 0.22097435330540 88.906 > 17 18 Y 0.73995532105993 0.88315911292784 0.22097435330540 88.906 > 17 19 Y 0.26004467894007 0.38315911292784 0.27902564669460 88.906 > 19 20 Y 0.76004467894007 0.38315911292784 0.27902564669460 88.906 > 19 21 Y 0.32909267940898 0.87418421418192 0.56121164607169 88.906 > 21 22 Y 0.82909267940898 0.87418421418192 0.56121164607169 88.906 > 21 23 Y 0.41867136949281 0.38193687271093 0.91454033449998 88.906 > 23 24 Y 0.91867136949281 0.38193687271093 0.91454033449998 88.906 > 23 25 Y 0.32909267940898 0.62581578581808 0.06121164607169 88.906 > 25 26 Y 0.82909267940898 0.62581578581808 0.06121164607169 88.906 > 25 27 Y 0.41867136949281 0.11806312728907 0.41454033449998 88.906 > 27 28 Y 0.91867136949281 0.11806312728907 0.41454033449998 88.906 > 27 29 Y 0.49024804251883 0.60261338772589 0.70005395865176 88.906 > 29 30 Y 0.99024804251883 0.60261338772589 0.70005395865176 88.906 > 29 31 Y 0.49024804251883 0.89738661227411 0.20005395865176 88.906 > 31 32 Y 0.99024804251883 0.89738661227411 0.20005395865176 88.906 > 31 33 Ga 0.10379994064727 0.32832207421471 0.62362994525051 69.723 > 33 34 Ga 0.60379994064727 0.32832207421471 0.62362994525051 69.723 > 33 35 Ga 0.17145798014531 0.83153105386517 0.89337759509803 69.723 > 35 36 Ga 0.67145798014531 0.83153105386517 0.89337759509803 69.723 > 35 37 Ga 0.10379994064727 0.17167792578529 0.12362994525051 69.723 > 37 38 Ga 0.60379994064727 0.17167792578529 0.12362994525051 69.723 > 37 39 Ga 0.17145798014531 0.66846894613483 0.39337759509803 69.723 > 39 40 Ga 0.67145798014531 0.66846894613483 0.39337759509803 69.723 > 39 41 Ga 0.32854201985469 0.33153105386517 0.60662240490197 69.723 > 41 42 Ga 0.82854201985469 0.33153105386517 0.60662240490197 69.723 > 41 43 Ga 0.39620005935273 0.82832207421471 0.87637005474949 69.723 > 43 44 Ga 0.89620005935273 0.82832207421471 0.87637005474949 69.723 > 43 45 Ga 0.32854201985469 0.16846894613483 0.10662240490197 69.723 > 45 46 Ga 0.82854201985469 0.16846894613483 0.10662240490197 69.723 > 45 47 Ga 0.39620005935273 0.67167792578529 0.37637005474949 69.723 > 47 48 Ga 0.89620005935273 0.67167792578529 0.37637005474949 69.723 > 47 49 O 0.03304415640898 0.23498470943829 0.97337354374997 15.999 > 49 50 O 0.53304415640898 0.23498470943829 0.97337354374997 15.999 > 49 51 O 0.03945019179336 0.50880404409654 0.89462530944852 15.999 > 51 52 O 0.53945019179336 0.50880404409654 0.89462530944852 15.999 > 51 53 O 0.10432619959317 0.74456159849204 0.75160695895568 15.999 > 53 54 O 0.60432619959317 0.74456159849204 0.75160695895568 15.999 > 53 55 O 0.11653408069683 0.24402904270629 0.77186356946333 15.999 > 55 56 O 0.61653408069683 0.24402904270629 0.77186356946333 15.999 > 55 57 O 0.03304415640898 0.26501529056170 0.47337354374997 15.999 > 57 58 O 0.53304415640898 0.26501529056170 0.47337354374997 15.999 > 57 59 O 0.03945019179336 0.99119595590346 0.39462530944852 15.999 > 59 60 O 0.53945019179336 0.99119595590346 0.39462530944852 15.999 > 59 61 O 0.15181836485034 0.99505832607164 0.83976246925324 15.999 > 61 62 O 0.65181836485034 0.99505832607164 0.83976246925324 15.999 > 61 63 O 0.10621078986203 0.49652274827029 0.65345140511553 15.999 > 63 64 O 0.60621078986203 0.49652274827029 0.65345140511553 15.999 > 63 65 O 0.10432619959317 0.75543840150796 0.25160695895569 15.999 > 65 66 O 0.60432619959317 0.75543840150796 0.25160695895569 15.999 > 65 67 O 0.11653408069683 0.25597095729371 0.27186356946333 15.999 > 67 68 O 0.61653408069683 0.25597095729371 0.27186356946333 15.999 > 67 69 O 0.18400853155863 0.73507069248306 0.54705266084941 15.999 > 69 70 O 0.68400853155863 0.73507069248306 0.54705266084941 15.999 > 69 71 O 0.15181836485034 0.50494167392836 0.33976246925324 15.999 > 71 72 O 0.65181836485034 0.50494167392836 0.33976246925324 15.999 > 71 73 O 0.21532351226729 0.25438042579595 0.61103975605192 15.999 > 73 74 O 0.71532351226729 0.25438042579595 0.61103975605192 15.999 > 73 75 O 0.28216163838952 0.49319882798143 0.89213525531490 15.999 > 75 76 O 0.78216163838952 0.49319882798143 0.89213525531490 15.999 > 75 77 O 0.10621078986203 0.00347725172971 0.15345140511553 15.999 > 77 78 O 0.60621078986203 0.00347725172971 0.15345140511553 15.999 > 77 79 O 0.21783836161048 0.99319882798143 0.60786474468510 15.999 > 79 80 O 0.71783836161048 0.99319882798143 0.60786474468510 15.999 > 79 81 O 0.28467648773271 0.75438042579595 0.88896024394808 15.999 > 81 82 O 0.78467648773271 0.75438042579595 0.88896024394808 15.999 > 81 83 O 0.31599146844137 0.23507069248306 0.95294733915059 15.999 > 83 84 O 0.81599146844137 0.23507069248306 0.95294733915059 15.999 > 83 85 O 0.18400853155863 0.76492930751694 0.04705266084941 15.999 > 85 86 O 0.68400853155863 0.76492930751694 0.04705266084941 15.999 > 85 87 O 0.21532351226729 0.24561957420405 0.11103975605192 15.999 > 87 88 O 0.71532351226729 0.24561957420405 0.11103975605192 15.999 > 87 89 O 0.28216163838952 0.00680117201857 0.39213525531490 15.999 > 89 90 O 0.78216163838952 0.00680117201857 0.39213525531490 15.999 > 89 91 O 0.39378921013797 0.99652274827029 0.84654859488447 15.999 > 91 92 O 0.89378921013797 0.99652274827029 0.84654859488447 15.999 > 91 93 O 0.21783836161048 0.50680117201857 0.10786474468510 15.999 > 93 94 O 0.71783836161048 0.50680117201857 0.10786474468510 15.999 > 93 95 O 0.28467648773271 0.74561957420405 0.38896024394808 15.999 > 95 96 O 0.78467648773271 0.74561957420405 0.38896024394808 15.999 > 95 97 O 0.34818163514966 0.49505832607164 0.66023753074676 15.999 > 97 98 O 0.84818163514966 0.49505832607164 0.66023753074676 15.999 > 97 99 O 0.31599146844137 0.26492930751694 0.45294733915059 15.999 > 99 100 O 0.81599146844137 0.26492930751694 0.45294733915059 15.999 > 99 101 O 0.38346591930317 0.74402904270629 0.72813643053667 15.999 > 101 102 O 0.88346591930317 0.74402904270629 0.72813643053667 15.999 > 101 103 O 0.39567380040683 0.24456159849204 0.74839304104432 15.999 > 103 104 O 0.89567380040683 0.24456159849204 0.74839304104432 15.999 > 103 105 O 0.39378921013797 0.50347725172971 0.34654859488447 15.999 > 105 106 O 0.89378921013797 0.50347725172971 0.34654859488447 15.999 > 105 107 O 0.34818163514966 0.00494167392836 0.16023753074676 15.999 > 107 108 O 0.84818163514966 0.00494167392836 0.16023753074676 15.999 > 107 109 O 0.46054980820664 0.00880404409654 0.60537469055148 15.999 > 109 110 O 0.96054980820664 0.00880404409654 0.60537469055148 15.999 > 109 111 O 0.46695584359102 0.73498470943829 0.52662645625003 15.999 > 111 112 O 0.96695584359102 0.73498470943829 0.52662645625003 15.999 > 111 113 O 0.38346591930317 0.75597095729371 0.22813643053667 15.999 > 113 114 O 0.88346591930317 0.75597095729371 0.22813643053667 15.999 > 113 115 O 0.39567380040683 0.25543840150796 0.24839304104432 15.999 > 115 116 O 0.89567380040683 0.25543840150796 0.24839304104432 15.999 > 115 117 O 0.46054980820664 0.49119595590346 0.10537469055148 15.999 > 117 118 O 0.96054980820664 0.49119595590346 0.10537469055148 15.999 > 117 119 O 0.46695584359102 0.76501529056171 0.02662645625003 15.999 > 119 120 O 0.96695584359102 0.76501529056171 0.02662645625003 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8723002 0.0000000 0.0247015 0.0000000 3.9874278 0.0000000 0.0247036 0.0000000 3.8920880 -------------------------- Born effective charges -------------------------- 1 Y 4.3392881 -0.0341306 0.0024729 -0.0440457 3.8391220 0.4486469 -0.0030287 0.5958904 3.3635810 2 Y 4.3392881 0.0341306 0.0024729 0.0440457 3.8391220 -0.4486469 -0.0030287 -0.5958904 3.3635810 3 Y 4.1136979 0.0921934 0.0427475 0.0716499 3.8282967 -0.4481355 0.0287520 -0.2746333 3.2493441 4 Y 3.6910647 0.0616523 0.0362922 0.0570678 3.7500444 0.2706680 0.0599265 0.1507685 3.6065923 5 Y 4.1136979 -0.0921934 0.0427475 -0.0716499 3.8282967 0.4481355 0.0287520 0.2746333 3.2493441 6 Y 3.6910647 -0.0616523 0.0362922 -0.0570678 3.7500444 -0.2706680 0.0599265 -0.1507685 3.6065923 7 Y 3.6946333 0.0045723 0.0673437 0.0038251 3.8061273 -0.2289908 0.0926694 -0.4663850 3.7507680 8 Y 3.6946333 -0.0045723 0.0673437 -0.0038251 3.8061273 0.2289908 0.0926694 0.4663850 3.7507680 9 Y 3.6946333 -0.0045723 0.0673437 -0.0038251 3.8061273 0.2289908 0.0926694 0.4663850 3.7507680 10 Y 3.6946333 0.0045723 0.0673437 0.0038251 3.8061273 -0.2289908 0.0926694 -0.4663850 3.7507680 11 Y 3.6910647 -0.0616523 0.0362922 -0.0570678 3.7500444 -0.2706680 0.0599265 -0.1507685 3.6065923 12 Y 4.1136979 -0.0921934 0.0427475 -0.0716499 3.8282967 0.4481355 0.0287520 0.2746333 3.2493441 13 Y 3.6910647 0.0616523 0.0362922 0.0570678 3.7500444 0.2706680 0.0599265 0.1507685 3.6065923 14 Y 4.1136979 0.0921934 0.0427475 0.0716499 3.8282967 -0.4481355 0.0287520 -0.2746333 3.2493441 15 Y 4.3392881 0.0341306 0.0024729 0.0440457 3.8391220 -0.4486469 -0.0030287 -0.5958904 3.3635810 16 Y 4.3392881 -0.0341306 0.0024729 -0.0440457 3.8391220 0.4486469 -0.0030287 0.5958904 3.3635810 17 Ga 2.2395536 -0.2191015 0.0244784 -0.2049359 2.8622229 0.1877502 0.0371773 0.2727919 2.9983661 18 Ga 2.2274588 -0.2188116 0.0380156 -0.2193593 2.8254056 -0.1536440 0.0157650 -0.3079253 3.0745681 19 Ga 2.2395536 0.2191015 0.0244784 0.2049359 2.8622229 -0.1877502 0.0371773 -0.2727919 2.9983661 20 Ga 2.2274588 0.2188116 0.0380156 0.2193593 2.8254056 0.1536440 0.0157650 0.3079253 3.0745681 21 Ga 2.2274588 0.2188116 0.0380156 0.2193593 2.8254056 0.1536440 0.0157650 0.3079253 3.0745681 22 Ga 2.2395536 0.2191015 0.0244784 0.2049359 2.8622229 -0.1877502 0.0371773 -0.2727919 2.9983661 23 Ga 2.2274588 -0.2188116 0.0380156 -0.2193593 2.8254056 -0.1536440 0.0157650 -0.3079253 3.0745681 24 Ga 2.2395536 -0.2191015 0.0244784 -0.2049359 2.8622229 0.1877502 0.0371773 0.2727919 2.9983661 25 O -2.0591444 0.3597516 -0.4022420 0.2634301 -2.1754598 0.0450618 -0.2153734 0.0804664 -2.4319249 26 O -2.4215758 0.0127027 -0.0495163 -0.0300425 -2.2586815 0.1217386 -0.0734231 0.1790843 -2.5684936 27 O -2.1724985 -0.4177523 -0.3424664 -0.3003433 -2.4289345 -0.0822173 -0.1602749 0.0350225 -2.2381778 28 O -2.1833407 -0.3325689 0.2404046 -0.1949093 -2.3641284 -0.1129244 0.0837880 -0.1452780 -2.3718931 29 O -2.0591444 -0.3597516 -0.4022420 -0.2634301 -2.1754598 -0.0450618 -0.2153734 -0.0804664 -2.4319249 30 O -2.4215758 -0.0127027 -0.0495163 0.0300425 -2.2586815 -0.1217386 -0.0734231 -0.1790843 -2.5684936 31 O -2.2638764 0.0334064 0.0054751 0.0646087 -2.5785170 0.3626825 0.0219320 0.2193573 -1.6840279 32 O -2.3057343 0.0673641 -0.0512124 0.0869213 -2.6779021 -0.4112559 -0.0653082 -0.3012483 -1.5976338 33 O -2.1724985 0.4177523 -0.3424664 0.3003433 -2.4289345 0.0822173 -0.1602749 -0.0350225 -2.2381778 34 O -2.1833407 0.3325689 0.2404046 0.1949093 -2.3641284 0.1129244 0.0837880 0.1452780 -2.3718931 35 O -2.0360633 0.2828981 0.2924183 0.1805518 -2.1065962 0.1749965 0.1150220 0.0477621 -2.6197156 36 O -2.2638764 -0.0334064 0.0054751 -0.0646087 -2.5785170 -0.3626825 0.0219320 -0.2193573 -1.6840279 37 O -2.3359805 -0.0066060 0.0256723 -0.0051718 -1.8956434 -0.0542555 0.0062982 -0.1629467 -2.0885962 38 O -2.5274824 -0.0546104 0.0701166 -0.0150022 -2.4253558 0.1207774 0.0560780 0.2460886 -2.4427565 39 O -2.3057343 -0.0673641 -0.0512124 -0.0869213 -2.6779021 0.4112559 -0.0653082 0.3012483 -1.5976338 40 O -2.5274824 0.0546104 0.0701166 0.0150022 -2.4253558 -0.1207774 0.0560780 -0.2460886 -2.4427565 41 O -2.3359805 0.0066060 0.0256723 0.0051718 -1.8956434 0.0542555 0.0062982 0.1629467 -2.0885962 42 O -2.0360633 -0.2828981 0.2924183 -0.1805518 -2.1065962 -0.1749965 0.1150220 -0.0477621 -2.6197156 43 O -2.0360633 -0.2828981 0.2924183 -0.1805518 -2.1065962 -0.1749965 0.1150220 -0.0477621 -2.6197156 44 O -2.3359805 0.0066060 0.0256723 0.0051718 -1.8956434 0.0542555 0.0062982 0.1629467 -2.0885962 45 O -2.5274824 0.0546104 0.0701166 0.0150022 -2.4253558 -0.1207774 0.0560780 -0.2460886 -2.4427565 46 O -2.3057343 -0.0673641 -0.0512124 -0.0869213 -2.6779021 0.4112559 -0.0653082 0.3012483 -1.5976338 47 O -2.5274824 -0.0546104 0.0701166 -0.0150022 -2.4253558 0.1207774 0.0560780 0.2460886 -2.4427565 48 O -2.3359805 -0.0066060 0.0256723 -0.0051718 -1.8956434 -0.0542555 0.0062982 -0.1629467 -2.0885962 49 O -2.2638764 -0.0334064 0.0054751 -0.0646087 -2.5785170 -0.3626825 0.0219320 -0.2193573 -1.6840279 50 O -2.0360633 0.2828981 0.2924183 0.1805518 -2.1065962 0.1749965 0.1150220 0.0477621 -2.6197156 51 O -2.1833407 0.3325689 0.2404046 0.1949093 -2.3641284 0.1129244 0.0837880 0.1452780 -2.3718931 52 O -2.1724985 0.4177523 -0.3424664 0.3003433 -2.4289345 0.0822173 -0.1602749 -0.0350225 -2.2381778 53 O -2.3057343 0.0673641 -0.0512124 0.0869213 -2.6779021 -0.4112559 -0.0653082 -0.3012483 -1.5976338 54 O -2.2638764 0.0334064 0.0054751 0.0646087 -2.5785170 0.3626825 0.0219320 0.2193573 -1.6840279 55 O -2.4215758 -0.0127027 -0.0495163 0.0300425 -2.2586815 -0.1217386 -0.0734231 -0.1790843 -2.5684936 56 O -2.0591444 -0.3597516 -0.4022420 -0.2634301 -2.1754598 -0.0450618 -0.2153734 -0.0804664 -2.4319249 57 O -2.1833407 -0.3325689 0.2404046 -0.1949093 -2.3641284 -0.1129244 0.0837880 -0.1452780 -2.3718931 58 O -2.1724985 -0.4177523 -0.3424664 -0.3003433 -2.4289345 -0.0822173 -0.1602749 0.0350225 -2.2381778 59 O -2.4215758 0.0127027 -0.0495163 -0.0300425 -2.2586815 0.1217386 -0.0734231 0.1790843 -2.5684936 60 O -2.0591444 0.3597516 -0.4022420 0.2634301 -2.1754598 0.0450618 -0.2153734 0.0804664 -2.4319249 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: 0.00000000 (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: 0.44, Number of G-points: 301, Lambda: 0.09 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 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 1.877 ( 0.000 0.000 0.000) 0.000 2.000 ( 0.000 0.000 0.000) 0.000 2.210 ( 0.000 0.000 0.000) 0.000 2.279 ( 0.000 0.000 0.000) 0.000 2.429 ( 0.000 0.000 0.000) 0.000 2.513 ( 0.000 0.000 0.000) 0.000 2.587 ( 0.000 0.000 0.000) 0.000 2.757 ( 0.000 0.000 0.000) 0.000 2.811 ( 0.000 0.000 0.000) 0.000 2.951 ( 0.000 0.000 0.000) 0.000 3.058 ( 0.000 0.000 0.000) 0.000 3.074 ( 0.000 0.000 0.000) 0.000 3.083 ( 0.000 0.000 0.000) 0.000 3.213 ( 0.000 0.000 0.000) 0.000 3.356 ( 0.000 0.000 0.000) 0.000 3.376 ( 0.000 0.000 0.000) 0.000 3.610 ( 0.000 0.000 0.000) 0.000 3.638 ( 0.000 0.000 0.000) 0.000 3.641 ( 0.000 0.000 0.000) 0.000 3.653 ( 0.000 0.000 0.000) 0.000 3.694 ( 0.000 0.000 0.000) 0.000 3.744 ( 0.000 0.000 0.000) 0.000 3.753 ( 0.000 0.000 0.000) 0.000 3.795 ( 0.000 0.000 0.000) 0.000 3.879 ( 0.000 0.000 0.000) 0.000 4.073 ( 0.000 0.000 0.000) 0.000 4.105 ( 0.000 0.000 0.000) 0.000 4.180 ( 0.000 0.000 0.000) 0.000 4.211 ( 0.000 0.000 0.000) 0.000 4.249 ( 0.000 0.000 0.000) 0.000 4.254 ( 0.000 0.000 0.000) 0.000 4.347 ( 0.000 0.000 0.000) 0.000 4.374 ( 0.000 0.000 0.000) 0.000 4.390 ( 0.000 0.000 0.000) 0.000 4.442 ( 0.000 0.000 0.000) 0.000 4.448 ( 0.000 0.000 0.000) 0.000 4.694 ( 0.000 0.000 0.000) 0.000 4.812 ( 0.000 0.000 0.000) 0.000 4.835 ( 0.000 0.000 0.000) 0.000 4.953 ( 0.000 0.000 0.000) 0.000 4.985 ( 0.000 0.000 0.000) 0.000 5.020 ( 0.000 0.000 0.000) 0.000 5.115 ( 0.000 0.000 0.000) 0.000 5.150 ( 0.000 0.000 0.000) 0.000 5.150 ( 0.000 0.000 0.000) 0.000 5.255 ( 0.000 0.000 0.000) 0.000 5.402 ( 0.000 0.000 0.000) 0.000 5.759 ( 0.000 0.000 0.000) 0.000 5.784 ( 0.000 0.000 0.000) 0.000 5.918 ( 0.000 0.000 0.000) 0.000 5.954 ( 0.000 0.000 0.000) 0.000 6.009 ( 0.000 0.000 0.000) 0.000 6.026 ( 0.000 0.000 0.000) 0.000 6.193 ( 0.000 0.000 0.000) 0.000 6.370 ( 0.000 0.000 0.000) 0.000 6.405 ( 0.000 0.000 0.000) 0.000 6.463 ( 0.000 0.000 0.000) 0.000 6.530 ( 0.000 0.000 0.000) 0.000 6.555 ( 0.000 0.000 0.000) 0.000 6.567 ( 0.000 0.000 0.000) 0.000 6.654 ( 0.000 0.000 0.000) 0.000 6.683 ( 0.000 0.000 0.000) 0.000 6.895 ( 0.000 0.000 0.000) 0.000 7.019 ( 0.000 0.000 0.000) 0.000 7.037 ( 0.000 0.000 0.000) 0.000 7.130 ( 0.000 0.000 0.000) 0.000 7.214 ( 0.000 0.000 0.000) 0.000 7.305 ( 0.000 0.000 0.000) 0.000 7.401 ( 0.000 0.000 0.000) 0.000 7.443 ( 0.000 0.000 0.000) 0.000 7.445 ( 0.000 0.000 0.000) 0.000 7.524 ( 0.000 0.000 0.000) 0.000 7.643 ( 0.000 0.000 0.000) 0.000 7.674 ( 0.000 0.000 0.000) 0.000 7.756 ( 0.000 0.000 0.000) 0.000 7.805 ( 0.000 0.000 0.000) 0.000 7.806 ( 0.000 0.000 0.000) 0.000 7.837 ( 0.000 0.000 0.000) 0.000 7.950 ( 0.000 0.000 0.000) 0.000 8.297 ( 0.000 0.000 0.000) 0.000 8.312 ( 0.000 0.000 0.000) 0.000 8.549 ( 0.000 0.000 0.000) 0.000 8.719 ( 0.000 0.000 0.000) 0.000 8.862 ( 0.000 0.000 0.000) 0.000 8.952 ( 0.000 0.000 0.000) 0.000 8.992 ( 0.000 0.000 0.000) 0.000 9.023 ( 0.000 0.000 0.000) 0.000 9.097 ( 0.000 0.000 0.000) 0.000 9.174 ( 0.000 0.000 0.000) 0.000 9.195 ( 0.000 0.000 0.000) 0.000 9.251 ( 0.000 0.000 0.000) 0.000 9.377 ( 0.000 0.000 0.000) 0.000 9.411 ( 0.000 0.000 0.000) 0.000 9.559 ( 0.000 0.000 0.000) 0.000 9.606 ( 0.000 0.000 0.000) 0.000 9.652 ( 0.000 0.000 0.000) 0.000 9.696 ( 0.000 0.000 0.000) 0.000 9.871 ( 0.000 0.000 0.000) 0.000 9.873 ( 0.000 0.000 0.000) 0.000 9.916 ( 0.000 0.000 0.000) 0.000 10.056 ( 0.000 0.000 0.000) 0.000 10.154 ( 0.000 0.000 0.000) 0.000 10.160 ( 0.000 0.000 0.000) 0.000 10.360 ( 0.000 0.000 0.000) 0.000 10.401 ( 0.000 0.000 0.000) 0.000 10.523 ( 0.000 0.000 0.000) 0.000 10.549 ( 0.000 0.000 0.000) 0.000 10.666 ( 0.000 0.000 0.000) 0.000 10.688 ( 0.000 0.000 0.000) 0.000 10.691 ( 0.000 0.000 0.000) 0.000 10.726 ( 0.000 0.000 0.000) 0.000 10.787 ( 0.000 0.000 0.000) 0.000 10.995 ( 0.000 0.000 0.000) 0.000 11.035 ( 0.000 0.000 0.000) 0.000 11.058 ( 0.000 0.000 0.000) 0.000 11.076 ( 0.000 0.000 0.000) 0.000 11.151 ( 0.000 0.000 0.000) 0.000 11.408 ( 0.000 0.000 0.000) 0.000 11.433 ( 0.000 0.000 0.000) 0.000 11.446 ( 0.000 0.000 0.000) 0.000 11.471 ( 0.000 0.000 0.000) 0.000 11.651 ( 0.000 0.000 0.000) 0.000 11.693 ( 0.000 0.000 0.000) 0.000 11.750 ( 0.000 0.000 0.000) 0.000 11.819 ( 0.000 0.000 0.000) 0.000 11.940 ( 0.000 0.000 0.000) 0.000 11.965 ( 0.000 0.000 0.000) 0.000 12.270 ( 0.000 0.000 0.000) 0.000 12.427 ( 0.000 0.000 0.000) 0.000 12.444 ( 0.000 0.000 0.000) 0.000 12.580 ( 0.000 0.000 0.000) 0.000 12.774 ( 0.000 0.000 0.000) 0.000 13.125 ( 0.000 0.000 0.000) 0.000 13.530 ( 0.000 0.000 0.000) 0.000 13.627 ( 0.000 0.000 0.000) 0.000 13.640 ( 0.000 0.000 0.000) 0.000 13.951 ( 0.000 0.000 0.000) 0.000 14.400 ( 0.000 0.000 0.000) 0.000 14.515 ( 0.000 0.000 0.000) 0.000 14.534 ( 0.000 0.000 0.000) 0.000 14.561 ( 0.000 0.000 0.000) 0.000 14.592 ( 0.000 0.000 0.000) 0.000 15.032 ( 0.000 0.000 0.000) 0.000 15.309 ( 0.000 0.000 0.000) 0.000 15.432 ( 0.000 0.000 0.000) 0.000 15.655 ( 0.000 0.000 0.000) 0.000 15.727 ( 0.000 0.000 0.000) 0.000 15.842 ( 0.000 0.000 0.000) 0.000 16.083 ( 0.000 0.000 0.000) 0.000 17.591 ( 0.000 0.000 0.000) 0.000 17.682 ( 0.000 0.000 0.000) 0.000 17.788 ( 0.000 0.000 0.000) 0.000 17.861 ( 0.000 0.000 0.000) 0.000 18.305 ( 0.000 0.000 0.000) 0.000 18.803 ( 0.000 0.000 0.000) 0.000 18.890 ( 0.000 0.000 0.000) 0.000 18.921 ( 0.000 0.000 0.000) 0.000 19.162 ( 0.000 0.000 0.000) 0.000 19.320 ( 0.000 0.000 0.000) 0.000 19.534 ( 0.000 0.000 0.000) 0.000 19.992 ( 0.000 0.000 0.000) 0.000 20.093 ( 0.000 0.000 0.000) 0.000 20.123 ( 0.000 0.000 0.000) 0.000 20.151 ( 0.000 0.000 0.000) 0.000 20.468 ( 0.000 0.000 0.000) 0.000 20.603 ( 0.000 0.000 0.000) 0.000 21.148 ( 0.000 0.000 0.000) 0.000 21.183 ( 0.000 0.000 0.000) 0.000 21.509 ( 0.000 0.000 0.000) 0.000 21.538 ( 0.000 0.000 0.000) 0.000 21.812 ( 0.000 0.000 0.000) 0.000 21.886 ( 0.000 0.000 0.000) 0.000 22.145 ( 0.000 0.000 0.000) 0.000 22.991 ( 0.000 0.000 0.000) 0.000 23.074 ( 0.000 0.000 0.000) 0.000 23.128 ( 0.000 0.000 0.000) 0.000 23.171 ( 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 33.275 0.000 0.521) 33.279 0.693 ( 31.283 0.000 13.228) 33.965 1.324 ( 58.038 0.000 22.317) 62.181 1.768 ( -6.941 0.000 -7.393) 10.140 2.035 ( 4.211 0.000 -2.974) 5.155 2.212 ( 0.068 0.000 0.185) 0.198 2.338 ( 1.482 0.000 7.823) 7.962 2.451 ( -0.650 0.000 -0.640) 0.913 2.559 ( 1.267 0.000 10.549) 10.624 2.658 ( 4.787 0.000 -6.666) 8.207 2.730 ( -4.401 0.000 -1.994) 4.832 2.829 ( -5.997 0.000 -4.239) 7.344 2.886 ( 5.666 0.000 3.034) 6.427 3.032 ( 3.659 0.000 -7.792) 8.609 3.164 ( 1.795 0.000 -3.201) 3.670 3.190 ( 7.316 0.000 -4.486) 8.582 3.270 ( -4.904 0.000 1.277) 5.068 3.339 ( 7.252 0.000 2.741) 7.753 3.441 ( 6.610 0.000 -2.574) 7.093 3.512 ( -7.387 0.000 5.880) 9.441 3.625 ( 0.982 0.000 1.073) 1.454 3.667 ( -2.028 0.000 -6.085) 6.414 3.707 ( -1.014 0.000 -1.225) 1.590 3.761 ( 2.073 0.000 1.632) 2.638 3.762 ( 6.151 0.000 0.901) 6.216 3.854 ( -0.628 0.000 -10.151) 10.170 3.887 ( 9.021 0.000 -2.290) 9.308 3.954 ( -2.485 0.000 2.951) 3.858 4.033 ( -5.959 0.000 7.412) 9.510 4.098 ( -1.196 0.000 -5.854) 5.975 4.150 ( -8.920 0.000 -6.829) 11.234 4.160 ( -0.407 0.000 1.366) 1.426 4.267 ( -4.558 0.000 8.093) 9.288 4.278 ( 8.519 0.000 -4.620) 9.691 4.338 ( 0.513 0.000 -0.710) 0.875 4.414 ( -1.593 0.000 6.163) 6.366 4.422 ( 8.729 0.000 5.272) 10.197 4.520 ( 6.734 0.000 -2.892) 7.329 4.603 ( 7.972 0.000 3.294) 8.626 4.719 ( -1.002 0.000 5.297) 5.390 4.774 ( -4.264 0.000 1.980) 4.702 4.792 ( -1.603 0.000 2.714) 3.152 4.822 ( -7.677 0.000 -4.391) 8.844 4.880 ( 2.102 0.000 -4.988) 5.413 5.132 ( 2.391 0.000 -0.393) 2.423 5.132 ( -0.904 0.000 -4.417) 4.509 5.192 ( 8.134 0.000 8.102) 11.480 5.251 ( 3.633 0.000 -1.618) 3.977 5.378 ( 7.363 0.000 7.177) 10.282 5.426 ( -0.084 0.000 -1.474) 1.477 5.733 ( -0.771 0.000 -7.381) 7.421 5.829 ( 0.787 0.000 4.498) 4.566 5.886 ( -2.478 0.000 -7.076) 7.498 5.895 ( -5.344 0.000 -0.420) 5.361 5.978 ( 1.343 0.000 6.352) 6.493 6.065 ( 0.350 0.000 0.969) 1.030 6.222 ( -2.997 0.000 -1.996) 3.600 6.300 ( 4.190 0.000 -5.872) 7.213 6.367 ( -1.611 0.000 -6.661) 6.852 6.443 ( -3.737 0.000 0.231) 3.745 6.554 ( 0.750 0.000 -0.293) 0.805 6.617 ( 2.116 0.000 5.289) 5.697 6.655 ( -3.575 0.000 8.124) 8.876 6.691 ( 5.969 0.000 1.110) 6.072 6.780 ( 3.506 0.000 6.990) 7.820 6.811 ( -10.475 0.000 -9.462) 14.116 6.924 ( -0.028 0.000 6.730) 6.730 6.956 ( -6.712 0.000 -4.050) 7.839 7.119 ( -1.585 0.000 2.481) 2.944 7.131 ( -4.889 0.000 -2.723) 5.596 7.330 ( 0.190 0.000 -5.288) 5.291 7.373 ( -2.241 0.000 -3.015) 3.757 7.456 ( 1.572 0.000 0.912) 1.817 7.476 ( -3.656 0.000 1.806) 4.078 7.486 ( 1.516 0.000 -12.221) 12.314 7.585 ( -6.183 0.000 -3.759) 7.236 7.679 ( -0.761 0.000 4.528) 4.592 7.718 ( -6.209 0.000 9.534) 11.378 7.733 ( -0.472 0.000 0.184) 0.507 7.863 ( 4.189 0.000 -6.413) 7.660 7.925 ( -1.570 0.000 9.151) 9.285 8.168 ( 9.234 0.000 11.242) 14.549 8.190 ( -9.256 0.000 -3.372) 9.851 8.561 ( 1.083 0.000 1.510) 1.858 8.688 ( -5.836 0.000 2.493) 6.346 8.744 ( -4.225 0.000 0.088) 4.226 8.798 ( -1.432 0.000 -4.441) 4.666 8.841 ( 3.479 0.000 -11.845) 12.345 9.016 ( 0.981 0.000 1.891) 2.131 9.059 ( -5.340 0.000 -2.674) 5.972 9.082 ( 2.249 0.000 -4.268) 4.824 9.171 ( 3.776 0.000 4.781) 6.092 9.272 ( -6.286 0.000 -5.486) 8.343 9.296 ( 4.559 0.000 2.576) 5.236 9.367 ( 5.793 0.000 -0.095) 5.794 9.436 ( 1.891 0.000 -1.342) 2.319 9.548 ( -0.108 0.000 2.832) 2.834 9.550 ( -6.593 0.000 -0.747) 6.635 9.712 ( 4.260 0.000 -0.998) 4.375 9.757 ( 2.413 0.000 -1.898) 3.070 9.851 ( 0.618 0.000 2.023) 2.115 9.942 ( 0.352 0.000 0.281) 0.451 10.019 ( -2.712 0.000 7.426) 7.906 10.055 ( -7.896 0.000 3.016) 8.452 10.181 ( 2.297 0.000 -1.461) 2.722 10.310 ( -2.566 0.000 -2.317) 3.457 10.409 ( 0.839 0.000 -2.039) 2.205 10.416 ( -6.874 0.000 -4.154) 8.032 10.537 ( -2.117 0.000 0.715) 2.234 10.609 ( -1.560 0.000 -0.908) 1.805 10.703 ( 0.429 0.000 -3.622) 3.647 10.704 ( 2.556 0.000 0.397) 2.587 10.820 ( 2.837 0.000 4.057) 4.951 10.823 ( 4.880 0.000 2.471) 5.470 10.924 ( -1.567 0.000 -2.791) 3.201 10.969 ( -3.147 0.000 -0.912) 3.277 11.023 ( 1.667 0.000 -1.292) 2.109 11.175 ( 2.237 0.000 -3.034) 3.770 11.182 ( 1.095 0.000 0.596) 1.247 11.376 ( -1.914 0.000 -2.544) 3.183 11.409 ( -1.575 0.000 -1.199) 1.979 11.431 ( -1.302 0.000 1.996) 2.383 11.512 ( 2.372 0.000 3.233) 4.010 11.646 ( -1.706 0.000 0.656) 1.828 11.665 ( -0.741 0.000 -2.074) 2.203 11.780 ( 2.214 0.000 0.142) 2.219 11.843 ( 3.217 0.000 4.411) 5.460 11.955 ( -2.399 0.000 4.485) 5.087 11.998 ( 5.549 0.000 -1.848) 5.849 12.174 ( 8.083 0.000 -24.925) 26.203 12.414 ( -2.628 0.000 -0.367) 2.653 12.433 ( -0.498 0.000 3.632) 3.666 12.578 ( 4.067 0.000 -6.408) 7.589 12.782 ( 0.949 0.000 -0.789) 1.234 13.094 ( -2.168 0.000 -1.702) 2.756 13.498 ( -2.853 0.000 4.947) 5.711 13.546 ( -6.130 0.000 -2.995) 6.822 13.710 ( 5.044 0.000 -0.693) 5.091 13.931 ( -0.463 0.000 -3.835) 3.863 14.308 ( 0.980 0.000 1.576) 1.856 14.427 ( 4.364 0.000 -17.039) 17.590 14.531 ( 3.622 0.000 -9.002) 9.703 14.542 ( -1.866 0.000 1.212) 2.225 14.594 ( -0.831 0.000 2.354) 2.497 14.912 ( -10.851 0.000 16.092) 19.409 15.203 ( 4.046 0.000 13.867) 14.445 15.369 ( 5.041 0.000 1.520) 5.265 15.451 ( 1.837 0.000 -0.043) 1.837 15.662 ( 0.381 0.000 0.818) 0.902 15.749 ( 2.212 0.000 -1.220) 2.526 15.809 ( -3.414 0.000 2.288) 4.110 16.041 ( -3.472 0.000 -1.510) 3.787 17.693 ( 0.837 0.000 -3.220) 3.327 17.807 ( 3.398 0.000 -0.316) 3.413 17.929 ( 5.200 0.000 3.019) 6.013 18.121 ( 0.273 0.000 -17.672) 17.674 18.429 ( 12.505 0.000 -10.215) 16.147 18.775 ( 1.329 0.000 -6.308) 6.446 19.026 ( 6.235 0.000 6.247) 8.826 19.085 ( 1.518 0.000 -11.681) 11.779 19.276 ( 12.835 0.000 -16.950) 21.262 19.352 ( 3.010 0.000 -0.469) 3.046 19.821 ( -4.277 0.000 15.233) 15.822 19.950 ( -3.929 0.000 0.571) 3.970 20.124 ( -0.711 0.000 2.608) 2.703 20.151 ( 4.523 0.000 1.763) 4.854 20.454 ( -1.567 0.000 0.653) 1.698 20.552 ( -4.685 0.000 -1.423) 4.896 20.892 ( -15.817 0.000 53.893) 56.166 20.896 ( -14.249 0.000 -0.046) 14.249 21.308 ( 2.924 0.000 0.285) 2.938 21.444 ( -4.650 0.000 -5.911) 7.521 21.578 ( 2.946 0.000 2.696) 3.994 21.675 ( -9.524 0.000 -6.079) 11.298 21.872 ( -3.930 0.000 1.971) 4.396 22.131 ( -2.204 0.000 1.260) 2.539 23.040 ( 3.960 0.000 1.708) 4.313 23.119 ( 0.058 0.000 -1.780) 1.781 23.155 ( 3.071 0.000 -1.277) 3.326 23.177 ( 0.473 0.000 -0.591) 0.757 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 30.695 0.000 0.199) 30.696 1.365 ( 27.339 0.000 8.415) 28.605 1.606 ( -0.725 0.000 -5.303) 5.352 2.088 ( 3.235 0.000 -0.318) 3.251 2.196 ( 1.425 0.000 -2.192) 2.614 2.372 ( -6.566 0.000 -6.055) 8.932 2.378 ( 18.400 0.000 9.048) 20.504 2.476 ( 11.257 0.000 1.745) 11.392 2.502 ( -5.149 0.000 3.875) 6.444 2.629 ( -4.327 0.000 3.133) 5.342 2.705 ( 3.671 0.000 2.702) 4.558 2.942 ( 1.942 0.000 4.145) 4.577 2.953 ( 10.596 0.000 -1.711) 10.734 3.013 ( 8.064 0.000 -7.386) 10.935 3.102 ( -7.720 0.000 -1.611) 7.886 3.210 ( 3.293 0.000 -5.507) 6.416 3.312 ( -0.564 0.000 0.541) 0.782 3.435 ( -17.268 0.000 -3.928) 17.709 3.468 ( 7.303 0.000 1.758) 7.511 3.531 ( 7.591 0.000 3.572) 8.389 3.579 ( -1.165 0.000 -8.822) 8.898 3.673 ( 4.066 0.000 -3.521) 5.379 3.676 ( -1.134 0.000 10.295) 10.357 3.733 ( -1.410 0.000 0.610) 1.536 3.788 ( -2.088 0.000 -0.100) 2.091 3.845 ( 3.473 0.000 -2.089) 4.053 3.900 ( -5.904 0.000 -3.543) 6.885 3.949 ( -0.796 0.000 -1.587) 1.776 3.982 ( 0.019 0.000 0.124) 0.126 4.037 ( 3.649 0.000 5.323) 6.454 4.149 ( 9.452 0.000 -4.657) 10.537 4.207 ( -1.444 0.000 -3.936) 4.193 4.284 ( 5.861 0.000 3.395) 6.773 4.360 ( 1.894 0.000 1.191) 2.238 4.384 ( 1.276 0.000 3.855) 4.060 4.458 ( 2.230 0.000 1.274) 2.568 4.573 ( 3.692 0.000 0.111) 3.694 4.580 ( -4.579 0.000 2.097) 5.037 4.652 ( 2.112 0.000 -2.043) 2.938 4.710 ( 3.138 0.000 -3.173) 4.462 4.736 ( 0.996 0.000 5.328) 5.420 4.872 ( 12.373 0.000 1.762) 12.498 4.923 ( 6.252 0.000 4.618) 7.773 4.966 ( 7.938 0.000 -4.330) 9.042 5.131 ( 2.283 0.000 -1.714) 2.855 5.213 ( 9.162 0.000 -1.407) 9.270 5.276 ( 0.327 0.000 -3.945) 3.958 5.316 ( -4.547 0.000 -4.152) 6.157 5.456 ( 8.058 0.000 14.786) 16.839 5.499 ( 0.073 0.000 -0.935) 0.938 5.640 ( -4.458 0.000 -3.756) 5.830 5.730 ( -4.992 0.000 0.615) 5.029 5.779 ( -7.789 0.000 -6.052) 9.864 5.892 ( 1.963 0.000 1.301) 2.355 6.042 ( 2.196 0.000 0.843) 2.353 6.137 ( 1.131 0.000 -5.904) 6.011 6.157 ( -0.588 0.000 -0.412) 0.718 6.229 ( -0.748 0.000 0.985) 1.237 6.392 ( -7.023 0.000 -4.175) 8.170 6.412 ( 0.952 0.000 2.445) 2.624 6.496 ( -6.593 0.000 -7.182) 9.749 6.518 ( -1.363 0.000 2.399) 2.759 6.664 ( -3.138 0.000 -1.384) 3.430 6.672 ( 0.678 0.000 3.303) 3.371 6.748 ( -2.872 0.000 -3.049) 4.189 6.812 ( 0.670 0.000 6.129) 6.166 6.937 ( 4.873 0.000 2.851) 5.646 6.964 ( -1.373 0.000 9.046) 9.150 7.037 ( -3.004 0.000 2.848) 4.140 7.109 ( -1.608 0.000 3.546) 3.893 7.271 ( -4.551 0.000 -5.036) 6.788 7.294 ( -1.689 0.000 -3.813) 4.171 7.357 ( -4.811 0.000 -9.346) 10.512 7.392 ( -5.413 0.000 -7.401) 9.170 7.470 ( -0.311 0.000 -1.035) 1.081 7.479 ( -1.862 0.000 -0.470) 1.920 7.632 ( -4.400 0.000 7.012) 8.278 7.716 ( -5.198 0.000 7.359) 9.010 7.720 ( 0.656 0.000 1.970) 2.076 7.915 ( 0.751 0.000 -5.025) 5.080 7.966 ( -4.304 0.000 -4.599) 6.299 7.980 ( -0.616 0.000 12.785) 12.800 8.364 ( 2.487 0.000 2.431) 3.478 8.529 ( -4.923 0.000 -0.361) 4.936 8.556 ( -6.800 0.000 -1.275) 6.919 8.650 ( -3.285 0.000 0.866) 3.398 8.755 ( 0.094 0.000 -5.299) 5.300 8.928 ( 8.020 0.000 0.232) 8.023 8.993 ( 1.431 0.000 -5.208) 5.401 9.013 ( -5.543 0.000 0.383) 5.556 9.107 ( -1.065 0.000 0.995) 1.458 9.149 ( 3.635 0.000 -5.513) 6.604 9.210 ( -1.799 0.000 2.314) 2.931 9.372 ( 0.966 0.000 1.351) 1.661 9.428 ( -0.901 0.000 -1.482) 1.735 9.429 ( -3.563 0.000 -4.480) 5.724 9.464 ( 4.316 0.000 0.408) 4.335 9.643 ( 5.947 0.000 1.497) 6.133 9.702 ( -6.641 0.000 -1.071) 6.727 9.716 ( 0.518 0.000 -1.187) 1.295 9.866 ( -3.691 0.000 2.254) 4.324 9.955 ( 0.072 0.000 7.630) 7.631 9.962 ( -5.544 0.000 3.491) 6.551 10.047 ( 2.188 0.000 0.273) 2.205 10.192 ( -2.622 0.000 -0.009) 2.622 10.278 ( -1.842 0.000 -3.130) 3.632 10.289 ( 5.615 0.000 -5.822) 8.088 10.406 ( 0.284 0.000 -2.279) 2.296 10.487 ( -1.727 0.000 -1.311) 2.168 10.634 ( 1.780 0.000 4.036) 4.411 10.703 ( 0.348 0.000 3.612) 3.629 10.757 ( 2.702 0.000 -3.403) 4.345 10.841 ( -4.424 0.000 2.780) 5.225 10.887 ( 0.405 0.000 2.008) 2.048 10.933 ( 2.746 0.000 -2.297) 3.580 10.957 ( 2.958 0.000 1.335) 3.245 11.056 ( 2.812 0.000 -2.384) 3.686 11.143 ( -2.553 0.000 -7.318) 7.750 11.162 ( -1.029 0.000 -0.527) 1.157 11.339 ( -0.201 0.000 -1.892) 1.903 11.372 ( -1.339 0.000 -0.667) 1.496 11.435 ( -0.218 0.000 3.302) 3.310 11.511 ( -3.309 0.000 -0.614) 3.365 11.593 ( -3.632 0.000 0.930) 3.749 11.699 ( 3.262 0.000 1.708) 3.682 11.810 ( 0.952 0.000 -1.541) 1.811 11.914 ( -0.412 0.000 -0.098) 0.424 11.954 ( 1.741 0.000 2.595) 3.125 12.102 ( 6.661 0.000 -4.107) 7.825 12.218 ( 8.146 0.000 -8.069) 11.466 12.352 ( -3.936 0.000 1.827) 4.339 12.455 ( -1.121 0.000 8.368) 8.443 12.614 ( 2.299 0.000 -2.788) 3.614 12.798 ( 1.078 0.000 -0.686) 1.278 13.040 ( -2.068 0.000 -0.994) 2.295 13.359 ( -8.718 0.000 -7.972) 11.813 13.504 ( -0.021 0.000 5.223) 5.223 13.786 ( 3.107 0.000 -1.255) 3.351 13.900 ( -0.228 0.000 -3.259) 3.267 14.344 ( -0.569 0.000 7.677) 7.698 14.408 ( 3.526 0.000 -13.568) 14.019 14.517 ( -1.454 0.000 1.816) 2.327 14.528 ( 1.413 0.000 -7.037) 7.178 14.583 ( -1.829 0.000 2.406) 3.022 14.827 ( -5.911 0.000 8.851) 10.643 15.362 ( 5.388 0.000 5.710) 7.851 15.491 ( 5.352 0.000 1.996) 5.712 15.495 ( 2.366 0.000 0.250) 2.379 15.678 ( 0.281 0.000 1.590) 1.615 15.732 ( -1.325 0.000 -3.214) 3.477 15.809 ( -0.517 0.000 5.592) 5.616 15.955 ( -2.843 0.000 -3.193) 4.275 17.664 ( -0.974 0.000 -3.010) 3.163 17.917 ( 7.022 0.000 -0.899) 7.079 18.029 ( -1.466 0.000 -6.394) 6.560 18.054 ( 4.358 0.000 2.930) 5.252 18.632 ( 12.493 0.000 -5.143) 13.510 18.801 ( 5.118 0.000 -4.979) 7.141 19.063 ( 0.705 0.000 -2.255) 2.362 19.191 ( 6.332 0.000 4.595) 7.823 19.392 ( -0.024 0.000 -0.902) 0.902 19.435 ( 11.509 0.000 -8.409) 14.254 19.830 ( -1.936 0.000 5.750) 6.067 19.856 ( -5.157 0.000 0.210) 5.161 20.130 ( -0.791 0.000 4.015) 4.093 20.262 ( 4.367 0.000 3.072) 5.339 20.415 ( -6.886 0.000 -2.295) 7.258 20.422 ( -1.964 0.000 0.429) 2.011 20.684 ( -6.710 0.000 0.711) 6.748 20.919 ( -7.403 0.000 24.537) 25.630 21.307 ( -3.388 0.000 -10.780) 11.300 21.320 ( -1.305 0.000 1.490) 1.980 21.422 ( -11.361 0.000 -2.657) 11.667 21.658 ( 2.937 0.000 2.639) 3.949 21.760 ( -7.456 0.000 0.165) 7.458 22.066 ( -5.090 0.000 1.011) 5.190 23.115 ( 0.768 0.000 -2.131) 2.265 23.139 ( 4.293 0.000 1.921) 4.703 23.177 ( 0.059 0.000 -0.921) 0.922 23.215 ( 2.839 0.000 0.575) 2.896 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 0.720 0.000 -4.564) 4.620 1.773 ( 16.258 0.000 -2.998) 16.532 2.066 ( 25.883 0.000 10.998) 28.123 2.092 ( -2.908 0.000 1.767) 3.402 2.223 ( -2.878 0.000 -3.017) 4.169 2.227 ( 5.807 0.000 6.075) 8.404 2.452 ( -4.109 0.000 -2.479) 4.799 2.527 ( -5.591 0.000 -11.787) 13.046 2.556 ( -1.560 0.000 2.342) 2.814 2.577 ( 2.312 0.000 6.708) 7.096 2.706 ( 7.756 0.000 -0.756) 7.793 2.778 ( -8.478 0.000 -5.066) 9.876 2.835 ( -20.374 0.000 -4.597) 20.887 2.929 ( -6.939 0.000 -1.960) 7.210 3.160 ( -6.401 0.000 -0.570) 6.426 3.223 ( 8.301 0.000 -4.692) 9.535 3.306 ( -1.408 0.000 1.844) 2.320 3.416 ( -5.684 0.000 -1.365) 5.845 3.520 ( 4.409 0.000 -1.108) 4.546 3.630 ( -0.749 0.000 3.114) 3.202 3.646 ( 2.642 0.000 1.862) 3.232 3.731 ( -0.209 0.000 2.826) 2.833 3.748 ( 3.865 0.000 1.747) 4.241 3.755 ( 1.310 0.000 -2.555) 2.872 3.815 ( 4.137 0.000 -1.966) 4.581 3.877 ( 9.529 0.000 5.263) 10.886 3.965 ( 1.990 0.000 -0.341) 2.020 3.989 ( 11.603 0.000 9.968) 15.297 4.049 ( 10.197 0.000 3.211) 10.691 4.149 ( 5.753 0.000 0.631) 5.788 4.171 ( 1.008 0.000 -4.098) 4.220 4.212 ( -1.564 0.000 -2.253) 2.743 4.284 ( -4.362 0.000 1.793) 4.716 4.414 ( 1.964 0.000 0.570) 2.045 4.428 ( 1.862 0.000 1.784) 2.579 4.501 ( -1.365 0.000 -1.476) 2.010 4.555 ( 5.030 0.000 6.230) 8.007 4.640 ( -0.083 0.000 -2.991) 2.992 4.643 ( -2.503 0.000 1.745) 3.052 4.709 ( -9.463 0.000 -6.093) 11.255 4.822 ( 7.921 0.000 -3.494) 8.657 4.927 ( -1.299 0.000 -6.614) 6.740 5.071 ( -6.576 0.000 0.201) 6.579 5.121 ( 3.889 0.000 4.955) 6.299 5.158 ( 4.598 0.000 2.732) 5.348 5.223 ( 2.582 0.000 -1.472) 2.972 5.230 ( -2.061 0.000 1.105) 2.339 5.433 ( 2.073 0.000 -4.672) 5.111 5.453 ( 12.179 0.000 -3.670) 12.720 5.567 ( -2.462 0.000 5.287) 5.832 5.640 ( 0.307 0.000 -2.911) 2.927 5.699 ( 7.642 0.000 3.653) 8.470 5.726 ( 0.513 0.000 2.097) 2.159 5.874 ( -17.558 0.000 -6.863) 18.852 5.888 ( -0.917 0.000 -0.324) 0.972 6.076 ( 3.419 0.000 -6.989) 7.780 6.192 ( -3.284 0.000 -1.587) 3.648 6.206 ( -1.042 0.000 8.444) 8.508 6.261 ( -3.244 0.000 -7.440) 8.117 6.310 ( -0.191 0.000 2.134) 2.142 6.434 ( -13.850 0.000 5.663) 14.963 6.548 ( 7.813 0.000 -1.288) 7.919 6.654 ( 4.796 0.000 1.516) 5.030 6.688 ( -0.454 0.000 1.828) 1.884 6.747 ( 0.997 0.000 -0.353) 1.058 6.899 ( -4.452 0.000 1.003) 4.564 6.936 ( 2.027 0.000 4.145) 4.614 7.003 ( 5.161 0.000 -0.393) 5.176 7.089 ( -1.138 0.000 0.365) 1.195 7.092 ( 0.282 0.000 1.793) 1.815 7.182 ( -2.598 0.000 -1.736) 3.125 7.243 ( 0.023 0.000 2.042) 2.042 7.248 ( -0.729 0.000 -3.228) 3.309 7.322 ( 0.060 0.000 -1.399) 1.400 7.406 ( -2.836 0.000 -4.961) 5.714 7.410 ( -4.512 0.000 -0.349) 4.525 7.556 ( -5.553 0.000 -1.471) 5.745 7.604 ( -5.106 0.000 3.151) 6.000 7.810 ( 5.711 0.000 1.771) 5.979 7.849 ( -1.290 0.000 4.626) 4.802 7.993 ( 2.092 0.000 -5.078) 5.492 8.020 ( -2.338 0.000 6.146) 6.575 8.263 ( -5.650 0.000 -3.272) 6.529 8.448 ( -2.572 0.000 -1.335) 2.898 8.530 ( 1.150 0.000 1.502) 1.892 8.578 ( -2.875 0.000 0.330) 2.894 8.737 ( 0.897 0.000 -3.960) 4.061 8.897 ( -3.772 0.000 0.978) 3.897 9.004 ( 1.938 0.000 -2.684) 3.311 9.062 ( 0.537 0.000 2.085) 2.153 9.150 ( 3.930 0.000 2.829) 4.842 9.191 ( 0.786 0.000 0.915) 1.207 9.204 ( 2.855 0.000 -0.609) 2.919 9.305 ( -5.698 0.000 -7.088) 9.094 9.374 ( 0.011 0.000 -0.676) 0.676 9.396 ( -1.033 0.000 -1.133) 1.533 9.576 ( 8.007 0.000 -1.314) 8.114 9.626 ( -1.335 0.000 2.571) 2.897 9.720 ( -1.248 0.000 0.951) 1.569 9.741 ( -0.720 0.000 3.739) 3.808 9.834 ( -0.510 0.000 -0.578) 0.771 9.855 ( -2.693 0.000 1.277) 2.980 9.902 ( -4.905 0.000 -1.244) 5.060 10.066 ( -0.368 0.000 -0.271) 0.458 10.144 ( -0.532 0.000 -1.116) 1.236 10.319 ( 1.487 0.000 3.286) 3.607 10.390 ( 1.161 0.000 1.694) 2.054 10.405 ( 4.082 0.000 -3.725) 5.526 10.507 ( 5.262 0.000 -0.156) 5.264 10.642 ( -4.916 0.000 -2.906) 5.711 10.702 ( -0.852 0.000 0.506) 0.991 10.724 ( -1.428 0.000 3.633) 3.903 10.874 ( -0.530 0.000 -1.215) 1.326 10.891 ( 3.649 0.000 6.366) 7.338 10.959 ( 0.890 0.000 -1.133) 1.441 11.012 ( -0.878 0.000 0.478) 1.000 11.021 ( -1.489 0.000 -8.146) 8.281 11.093 ( 1.625 0.000 -0.863) 1.840 11.171 ( 0.876 0.000 1.216) 1.499 11.322 ( -0.850 0.000 -0.495) 0.984 11.354 ( -0.027 0.000 -0.744) 0.745 11.432 ( -3.020 0.000 -0.986) 3.177 11.448 ( 0.053 0.000 0.570) 0.572 11.543 ( -1.584 0.000 1.134) 1.949 11.758 ( 1.386 0.000 1.739) 2.224 11.801 ( -0.302 0.000 -1.886) 1.910 11.891 ( -1.211 0.000 0.992) 1.565 11.986 ( 1.137 0.000 -1.840) 2.162 12.200 ( 6.128 0.000 -4.490) 7.597 12.284 ( -5.037 0.000 3.860) 6.346 12.353 ( 6.862 0.000 -4.242) 8.067 12.491 ( -1.503 0.000 10.063) 10.175 12.630 ( 0.777 0.000 -1.165) 1.400 12.811 ( 0.495 0.000 -0.177) 0.526 13.009 ( -0.754 0.000 -0.215) 0.785 13.156 ( -5.511 0.000 -6.003) 8.150 13.541 ( 0.668 0.000 2.350) 2.443 13.815 ( 0.796 0.000 -0.897) 1.199 13.883 ( -0.023 0.000 -1.131) 1.131 14.374 ( -1.649 0.000 8.084) 8.250 14.394 ( 2.718 0.000 -10.000) 10.363 14.510 ( 0.136 0.000 -2.447) 2.451 14.510 ( -0.253 0.000 0.550) 0.605 14.561 ( -1.182 0.000 1.038) 1.574 14.791 ( -1.803 0.000 2.998) 3.498 15.465 ( 2.425 0.000 1.461) 2.831 15.534 ( 1.070 0.000 0.486) 1.176 15.569 ( 1.478 0.000 0.679) 1.626 15.688 ( 0.029 0.000 0.671) 0.671 15.723 ( 1.804 0.000 -0.481) 1.867 15.787 ( -3.359 0.000 1.177) 3.559 15.926 ( 0.508 0.000 -0.877) 1.013 17.635 ( -0.443 0.000 -1.167) 1.249 17.979 ( -0.736 0.000 -1.801) 1.946 18.023 ( 3.400 0.000 -0.376) 3.421 18.125 ( 1.489 0.000 0.915) 1.748 18.797 ( 5.477 0.000 -2.012) 5.835 18.900 ( 6.062 0.000 -2.269) 6.473 19.075 ( 0.726 0.000 0.281) 0.779 19.302 ( -0.101 0.000 1.154) 1.158 19.307 ( -3.610 0.000 0.295) 3.623 19.604 ( 8.324 0.000 -2.922) 8.822 19.802 ( -1.752 0.000 0.790) 1.921 19.802 ( -2.141 0.000 1.073) 2.394 20.139 ( -0.426 0.000 2.190) 2.231 20.288 ( -2.500 0.000 0.272) 2.515 20.350 ( 0.838 0.000 0.571) 1.014 20.386 ( -1.463 0.000 -0.090) 1.466 20.628 ( -0.507 0.000 0.288) 0.583 20.939 ( -0.556 0.000 11.758) 11.771 21.106 ( -7.905 0.000 -10.099) 12.825 21.300 ( -1.084 0.000 0.889) 1.402 21.339 ( 0.927 0.000 0.827) 1.242 21.623 ( -5.074 0.000 -0.672) 5.118 21.716 ( 1.545 0.000 1.141) 1.921 21.975 ( -3.424 0.000 0.183) 3.429 23.117 ( 0.353 0.000 -0.921) 0.986 23.172 ( 0.010 0.000 -0.467) 0.467 23.210 ( 1.762 0.000 0.828) 1.947 23.259 ( 1.128 0.000 0.341) 1.179 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 0.000 32.029 0.000) 32.029 0.649 ( 0.000 33.877 0.000) 33.877 1.235 ( 0.000 62.544 0.000) 62.544 1.825 ( 0.000 -3.834 0.000) 3.834 1.994 ( 0.000 -6.929 0.000) 6.929 2.191 ( 0.000 -5.809 0.000) 5.809 2.251 ( 0.000 4.325 0.000) 4.325 2.293 ( 0.000 -16.349 0.000) 16.349 2.541 ( 0.000 2.907 0.000) 2.907 2.575 ( 0.000 3.503 0.000) 3.503 2.732 ( 0.000 -2.913 0.000) 2.913 2.893 ( 0.000 5.306 0.000) 5.306 2.913 ( 0.000 -3.197 0.000) 3.197 2.992 ( 0.000 -3.184 0.000) 3.184 3.048 ( 0.000 -2.446 0.000) 2.446 3.127 ( 0.000 -8.211 0.000) 8.211 3.135 ( 0.000 3.540 0.000) 3.540 3.421 ( 0.000 6.562 0.000) 6.562 3.454 ( 0.000 -1.050 0.000) 1.050 3.541 ( 0.000 2.204 0.000) 2.204 3.591 ( 0.000 -7.631 0.000) 7.631 3.629 ( 0.000 2.755 0.000) 2.755 3.706 ( 0.000 3.212 0.000) 3.212 3.747 ( 0.000 -0.378 0.000) 0.378 3.777 ( 0.000 3.660 0.000) 3.660 3.834 ( 0.000 4.060 0.000) 4.060 3.838 ( 0.000 4.131 0.000) 4.131 3.953 ( 0.000 10.162 0.000) 10.162 4.105 ( 0.000 1.196 0.000) 1.196 4.113 ( 0.000 2.116 0.000) 2.116 4.130 ( 0.000 -4.751 0.000) 4.751 4.232 ( 0.000 -0.682 0.000) 0.682 4.272 ( 0.000 1.688 0.000) 1.688 4.337 ( 0.000 7.841 0.000) 7.841 4.340 ( 0.000 -2.116 0.000) 2.116 4.394 ( 0.000 3.089 0.000) 3.089 4.403 ( 0.000 -1.985 0.000) 1.985 4.456 ( 0.000 4.899 0.000) 4.899 4.483 ( 0.000 1.906 0.000) 1.906 4.731 ( 0.000 -3.434 0.000) 3.434 4.761 ( 0.000 5.721 0.000) 5.721 4.832 ( 0.000 0.470 0.000) 0.470 4.911 ( 0.000 -5.344 0.000) 5.344 4.953 ( 0.000 -20.446 0.000) 20.446 5.068 ( 0.000 -0.794 0.000) 0.794 5.080 ( 0.000 4.092 0.000) 4.092 5.165 ( 0.000 3.141 0.000) 3.141 5.215 ( 0.000 -2.434 0.000) 2.434 5.248 ( 0.000 -10.499 0.000) 10.499 5.274 ( 0.000 9.347 0.000) 9.347 5.509 ( 0.000 -15.217 0.000) 15.217 5.646 ( 0.000 -12.165 0.000) 12.165 5.875 ( 0.000 -0.104 0.000) 0.104 5.925 ( 0.000 -2.676 0.000) 2.676 6.049 ( 0.000 -0.911 0.000) 0.911 6.050 ( 0.000 4.891 0.000) 4.891 6.254 ( 0.000 -11.077 0.000) 11.077 6.269 ( 0.000 6.093 0.000) 6.093 6.315 ( 0.000 -9.049 0.000) 9.049 6.426 ( 0.000 -4.607 0.000) 4.607 6.540 ( 0.000 4.353 0.000) 4.353 6.576 ( 0.000 -6.776 0.000) 6.776 6.728 ( 0.000 1.487 0.000) 1.487 6.746 ( 0.000 7.599 0.000) 7.599 6.905 ( 0.000 3.229 0.000) 3.229 6.935 ( 0.000 -2.456 0.000) 2.456 7.032 ( 0.000 11.219 0.000) 11.219 7.035 ( 0.000 1.332 0.000) 1.332 7.159 ( 0.000 -3.838 0.000) 3.838 7.220 ( 0.000 0.150 0.000) 0.150 7.270 ( 0.000 -2.997 0.000) 2.997 7.328 ( 0.000 -2.847 0.000) 2.847 7.412 ( 0.000 0.060 0.000) 0.060 7.441 ( 0.000 -2.994 0.000) 2.994 7.520 ( 0.000 1.985 0.000) 1.985 7.679 ( 0.000 -0.440 0.000) 0.440 7.699 ( 0.000 -4.367 0.000) 4.367 7.724 ( 0.000 0.089 0.000) 0.089 7.857 ( 0.000 11.809 0.000) 11.809 7.923 ( 0.000 4.010 0.000) 4.010 7.956 ( 0.000 1.257 0.000) 1.257 8.163 ( 0.000 1.684 0.000) 1.684 8.370 ( 0.000 4.994 0.000) 4.994 8.510 ( 0.000 -4.146 0.000) 4.146 8.662 ( 0.000 6.416 0.000) 6.416 8.726 ( 0.000 0.927 0.000) 0.927 8.900 ( 0.000 2.980 0.000) 2.980 8.916 ( 0.000 -2.189 0.000) 2.189 8.985 ( 0.000 -2.447 0.000) 2.447 9.048 ( 0.000 -4.681 0.000) 4.681 9.188 ( 0.000 6.027 0.000) 6.027 9.192 ( 0.000 0.276 0.000) 0.276 9.264 ( 0.000 1.836 0.000) 1.836 9.286 ( 0.000 -0.866 0.000) 0.866 9.367 ( 0.000 -0.795 0.000) 0.795 9.471 ( 0.000 1.487 0.000) 1.487 9.552 ( 0.000 -1.698 0.000) 1.698 9.581 ( 0.000 -1.170 0.000) 1.170 9.677 ( 0.000 4.363 0.000) 4.363 9.738 ( 0.000 1.582 0.000) 1.582 9.819 ( 0.000 -5.266 0.000) 5.266 9.894 ( 0.000 2.721 0.000) 2.721 10.012 ( 0.000 1.374 0.000) 1.374 10.028 ( 0.000 0.129 0.000) 0.129 10.175 ( 0.000 -0.296 0.000) 0.296 10.180 ( 0.000 1.505 0.000) 1.505 10.421 ( 0.000 5.701 0.000) 5.701 10.485 ( 0.000 -5.101 0.000) 5.101 10.546 ( 0.000 -0.555 0.000) 0.555 10.548 ( 0.000 -0.086 0.000) 0.086 10.655 ( 0.000 -1.185 0.000) 1.185 10.666 ( 0.000 -2.624 0.000) 2.624 10.811 ( 0.000 2.131 0.000) 2.131 10.861 ( 0.000 9.061 0.000) 9.061 10.918 ( 0.000 -7.018 0.000) 7.018 10.928 ( 0.000 -10.023 0.000) 10.023 10.956 ( 0.000 -1.883 0.000) 1.883 11.110 ( 0.000 -0.668 0.000) 0.668 11.162 ( 0.000 0.618 0.000) 0.618 11.269 ( 0.000 -1.115 0.000) 1.115 11.394 ( 0.000 -2.845 0.000) 2.845 11.497 ( 0.000 -1.891 0.000) 1.891 11.503 ( 0.000 3.966 0.000) 3.966 11.574 ( 0.000 1.504 0.000) 1.504 11.632 ( 0.000 -4.267 0.000) 4.267 11.710 ( 0.000 -2.417 0.000) 2.417 11.772 ( 0.000 11.139 0.000) 11.139 11.905 ( 0.000 6.954 0.000) 6.954 11.941 ( 0.000 -1.930 0.000) 1.930 12.206 ( 0.000 -8.940 0.000) 8.940 12.302 ( 0.000 -4.367 0.000) 4.367 12.451 ( 0.000 2.742 0.000) 2.742 12.523 ( 0.000 -5.630 0.000) 5.630 12.795 ( 0.000 14.459 0.000) 14.459 13.004 ( 0.000 -11.142 0.000) 11.142 13.394 ( 0.000 -3.113 0.000) 3.113 13.614 ( 0.000 6.642 0.000) 6.642 13.641 ( 0.000 2.836 0.000) 2.836 13.875 ( 0.000 -7.461 0.000) 7.461 14.362 ( 0.000 -0.756 0.000) 0.756 14.390 ( 0.000 -11.315 0.000) 11.315 14.542 ( 0.000 1.127 0.000) 1.127 14.550 ( 0.000 -3.999 0.000) 3.999 14.637 ( 0.000 -1.425 0.000) 1.425 14.723 ( 0.000 12.686 0.000) 12.686 15.134 ( 0.000 8.192 0.000) 8.192 15.316 ( 0.000 -4.761 0.000) 4.761 15.535 ( 0.000 8.384 0.000) 8.384 15.565 ( 0.000 -6.405 0.000) 6.405 15.782 ( 0.000 2.504 0.000) 2.504 16.095 ( 0.000 1.181 0.000) 1.181 16.128 ( 0.000 0.301 0.000) 0.301 17.620 ( 0.000 2.881 0.000) 2.881 17.790 ( 0.000 0.282 0.000) 0.282 17.836 ( 0.000 -2.442 0.000) 2.442 17.908 ( 0.000 -4.468 0.000) 4.468 18.456 ( 0.000 13.411 0.000) 13.411 18.894 ( 0.000 0.527 0.000) 0.527 18.937 ( 0.000 1.617 0.000) 1.617 19.124 ( 0.000 -3.502 0.000) 3.502 19.169 ( 0.000 -2.901 0.000) 2.901 19.449 ( 0.000 -8.778 0.000) 8.778 19.847 ( 0.000 3.454 0.000) 3.454 20.098 ( 0.000 0.282 0.000) 0.282 20.122 ( 0.000 -2.705 0.000) 2.705 20.130 ( 0.000 0.555 0.000) 0.555 20.459 ( 0.000 -0.487 0.000) 0.487 20.577 ( 0.000 -2.609 0.000) 2.609 20.825 ( 0.000 5.376 0.000) 5.376 21.115 ( 0.000 -5.204 0.000) 5.204 21.158 ( 0.000 -0.086 0.000) 0.086 21.379 ( 0.000 -7.864 0.000) 7.864 21.644 ( 0.000 5.845 0.000) 5.845 21.809 ( 0.000 -0.380 0.000) 0.380 22.012 ( 0.000 10.973 0.000) 10.973 22.559 ( 0.000 -4.673 0.000) 4.673 22.999 ( 0.000 0.810 0.000) 0.810 23.066 ( 0.000 -0.812 0.000) 0.812 23.138 ( 0.000 -0.046 0.000) 0.046 23.166 ( 0.000 -0.547 0.000) 0.547 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 23.579 21.280 0.214) 31.763 1.092 ( 23.609 25.586 7.416) 35.596 1.659 ( 34.368 30.787 12.880) 47.905 1.758 ( -1.432 2.884 -1.542) 3.570 2.042 ( 6.159 -4.186 0.679) 7.478 2.211 ( 1.161 -0.327 0.258) 1.233 2.256 ( -0.285 -3.128 5.236) 6.106 2.451 ( 11.143 -7.985 -3.721) 14.205 2.501 ( -3.226 -1.261 9.605) 10.210 2.633 ( -0.257 1.136 -0.881) 1.460 2.708 ( -6.800 -8.236 -5.139) 11.852 2.779 ( 1.357 4.135 -1.327) 4.550 2.893 ( 3.267 -0.807 -1.614) 3.732 3.036 ( -0.741 2.271 -6.863) 7.267 3.134 ( 4.790 -3.266 0.912) 5.869 3.164 ( 7.077 -1.848 -4.865) 8.785 3.255 ( 3.944 -4.521 2.840) 6.638 3.326 ( -1.773 4.517 1.870) 5.200 3.416 ( -0.820 -4.220 -0.930) 4.398 3.508 ( -2.070 1.181 1.770) 2.969 3.593 ( -7.007 -1.060 -1.720) 7.292 3.675 ( 2.817 -4.675 3.226) 6.340 3.726 ( -3.873 4.442 -3.761) 6.991 3.771 ( 8.713 4.330 1.267) 9.812 3.826 ( 0.521 0.607 -2.428) 2.556 3.879 ( 3.485 1.993 1.411) 4.255 3.916 ( 6.045 4.255 -4.000) 8.405 3.996 ( 1.472 4.584 -2.364) 5.364 4.053 ( -6.062 -3.071 -0.954) 6.862 4.085 ( -2.829 2.681 2.306) 4.529 4.155 ( 2.270 -2.611 0.655) 3.521 4.191 ( -1.140 2.688 -0.569) 2.975 4.201 ( -7.203 1.946 -1.296) 7.573 4.279 ( -0.431 -1.266 -2.671) 2.987 4.332 ( 5.793 -2.591 3.832) 7.413 4.423 ( 4.601 7.017 -0.105) 8.391 4.480 ( 3.953 0.839 2.755) 4.891 4.570 ( 9.804 -0.874 1.830) 10.011 4.587 ( 2.890 1.869 1.183) 3.640 4.738 ( -1.936 -1.816 1.924) 3.278 4.767 ( -0.593 3.685 3.592) 5.180 4.795 ( -1.990 2.078 -4.765) 5.567 4.867 ( 3.591 4.391 -1.128) 5.784 4.954 ( -6.945 6.864 -0.814) 9.798 5.005 ( 2.664 -16.212 0.686) 16.443 5.083 ( -0.136 -3.432 0.484) 3.468 5.236 ( 7.045 0.095 1.544) 7.212 5.271 ( 2.007 -1.938 0.629) 2.860 5.293 ( 4.508 -8.076 4.753) 10.399 5.426 ( 8.762 2.484 3.274) 9.678 5.547 ( -1.272 -13.575 -1.094) 13.679 5.702 ( 5.732 -6.369 -3.746) 9.351 5.796 ( 2.383 -1.069 -1.165) 2.860 5.928 ( -2.292 2.791 -6.167) 7.147 6.023 ( -1.807 1.704 1.484) 2.894 6.085 ( -0.574 -0.302 4.968) 5.010 6.173 ( -2.871 -5.310 -6.691) 9.011 6.281 ( 0.335 2.390 1.707) 2.956 6.309 ( 0.419 -9.143 0.758) 9.184 6.467 ( -2.981 -1.319 -7.702) 8.364 6.508 ( 4.540 -5.168 -0.485) 6.896 6.640 ( -5.035 2.261 0.961) 5.602 6.667 ( 1.650 1.823 0.430) 2.497 6.779 ( -1.392 0.636 -5.745) 5.946 6.807 ( -1.765 3.205 2.230) 4.285 6.860 ( -4.618 1.390 1.502) 5.051 6.965 ( -8.045 2.625 1.683) 8.629 7.027 ( 0.360 9.240 3.578) 9.915 7.060 ( -5.100 -4.640 -0.524) 6.915 7.162 ( -5.416 1.507 1.020) 5.714 7.277 ( -1.908 -5.180 -1.972) 5.861 7.312 ( 2.274 0.973 -3.570) 4.343 7.416 ( -1.129 -3.453 -5.354) 6.470 7.482 ( -0.262 -1.804 2.378) 2.996 7.531 ( 1.931 0.974 1.437) 2.597 7.571 ( -6.488 -3.754 2.054) 7.772 7.662 ( -6.685 2.183 -0.961) 7.098 7.702 ( -3.139 3.497 5.981) 7.606 7.838 ( 0.340 7.716 1.393) 7.849 7.939 ( 0.671 5.194 -3.078) 6.074 8.017 ( -0.330 6.212 0.154) 6.223 8.188 ( 8.007 1.855 6.570) 10.522 8.309 ( -9.642 11.204 -0.241) 14.784 8.489 ( -0.775 -5.525 1.499) 5.777 8.588 ( -5.293 -4.364 3.265) 7.597 8.790 ( 2.475 -1.527 -4.903) 5.701 8.799 ( -3.011 2.094 -5.086) 6.270 8.898 ( 2.956 1.880 -4.236) 5.496 8.994 ( -2.493 -4.134 -0.482) 4.851 9.056 ( -3.791 1.772 2.163) 4.710 9.148 ( -2.268 4.535 -0.398) 5.086 9.190 ( 2.614 -3.716 -2.559) 5.215 9.214 ( -1.154 1.828 1.476) 2.618 9.266 ( -1.905 -0.467 -0.825) 2.128 9.396 ( 4.339 1.079 -2.212) 4.988 9.503 ( -7.059 -0.143 2.661) 7.545 9.510 ( 0.348 0.380 -0.359) 0.628 9.554 ( 3.295 1.681 2.686) 4.571 9.724 ( 4.084 2.211 -1.297) 4.821 9.777 ( 0.890 0.912 -1.643) 2.079 9.852 ( 0.795 0.054 1.879) 2.041 9.922 ( 0.749 -3.106 5.824) 6.643 10.006 ( -2.913 -0.930 2.195) 3.764 10.045 ( -4.567 -0.191 3.535) 5.778 10.209 ( 1.555 2.432 -3.686) 4.682 10.283 ( 3.522 -4.302 0.570) 5.589 10.369 ( 0.648 1.798 -6.209) 6.496 10.437 ( -5.926 1.452 -4.962) 7.865 10.534 ( 1.250 -2.975 -1.619) 3.611 10.571 ( -0.194 -0.666 2.148) 2.257 10.684 ( 2.151 -1.910 0.843) 2.998 10.699 ( 5.441 -2.391 -0.913) 6.012 10.792 ( -1.711 2.102 1.302) 3.007 10.840 ( -0.372 -5.301 -0.056) 5.314 10.894 ( 0.905 3.002 1.251) 3.376 10.960 ( 0.385 -1.802 -0.425) 1.891 11.024 ( 1.352 0.156 -2.197) 2.584 11.084 ( 0.376 -4.101 1.134) 4.271 11.200 ( 1.261 -2.830 -1.927) 3.649 11.326 ( 3.101 -2.790 -3.136) 5.219 11.431 ( 0.986 0.239 -1.474) 1.789 11.483 ( -0.744 3.484 -0.044) 3.562 11.504 ( 1.087 -0.885 3.000) 3.311 11.611 ( -0.487 -3.827 -0.536) 3.895 11.653 ( 0.032 -0.494 -2.032) 2.091 11.680 ( 4.334 -5.000 1.402) 6.764 11.882 ( 2.081 2.774 -0.496) 3.503 11.942 ( 0.824 2.877 1.569) 3.379 11.964 ( 7.314 1.322 1.242) 7.535 12.176 ( 0.386 -5.912 -6.220) 8.590 12.303 ( 0.304 -3.074 -0.512) 3.132 12.459 ( -0.053 2.886 2.587) 3.877 12.606 ( 4.975 -10.870 0.818) 11.983 12.800 ( 1.121 14.472 -2.648) 14.755 12.985 ( -1.340 -10.293 -0.808) 10.411 13.505 ( 3.748 -6.447 5.667) 9.366 13.561 ( -3.850 1.381 -3.857) 5.622 13.623 ( 1.591 4.595 -3.968) 6.276 13.870 ( -0.213 -6.652 -1.539) 6.831 14.270 ( -5.151 -3.844 0.791) 6.476 14.385 ( -0.068 -9.515 -1.671) 9.661 14.478 ( -2.054 1.210 0.325) 2.406 14.562 ( 1.018 -4.732 -5.727) 7.498 14.650 ( -2.284 5.996 -2.406) 6.853 14.796 ( 2.413 2.682 12.001) 12.532 15.227 ( 6.346 5.413 4.094) 9.292 15.331 ( 1.347 -4.371 3.147) 5.552 15.549 ( 2.006 6.721 -0.994) 7.084 15.589 ( 1.088 -4.343 2.941) 5.356 15.803 ( 0.633 2.239 3.456) 4.166 15.990 ( -6.649 7.334 -3.568) 10.523 16.070 ( -3.045 2.354 -2.283) 4.475 17.673 ( 2.651 0.453 -0.474) 2.731 17.799 ( 2.377 -0.533 -0.489) 2.485 17.918 ( 5.991 -1.220 2.590) 6.640 18.010 ( 6.405 -6.074 -4.048) 9.711 18.543 ( 9.133 11.135 -3.683) 14.865 18.871 ( -0.594 4.153 -5.501) 6.918 19.004 ( 6.036 -0.153 -0.316) 6.046 19.117 ( 0.065 -1.353 -1.599) 2.096 19.225 ( 7.564 -3.718 -4.676) 9.639 19.445 ( 0.958 0.282 -2.463) 2.658 19.736 ( -5.205 -0.744 -0.270) 5.265 20.015 ( -5.175 0.843 -0.874) 5.316 20.118 ( 0.771 1.102 -2.216) 2.592 20.195 ( 3.346 2.088 2.340) 4.586 20.436 ( -3.710 -1.830 3.773) 5.599 20.501 ( -5.505 -2.737 3.999) 7.334 20.830 ( -6.312 -2.051 9.216) 11.357 20.901 ( -12.237 -0.879 9.626) 15.594 21.266 ( 1.775 -2.538 0.633) 3.161 21.385 ( 0.234 -5.312 -1.691) 5.579 21.613 ( -2.730 3.896 -1.251) 4.919 21.722 ( -5.773 1.596 -4.908) 7.744 21.965 ( -5.738 9.200 2.717) 11.178 22.293 ( -13.870 6.976 0.842) 15.549 23.045 ( 3.854 0.588 1.661) 4.238 23.119 ( 1.800 -0.514 -1.020) 2.132 23.132 ( 1.945 -1.095 -0.651) 2.325 23.173 ( 0.539 -0.687 -0.803) 1.186 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 26.511 11.200 0.087) 28.780 1.556 ( 12.599 13.013 -0.405) 18.117 1.665 ( 8.963 7.796 2.402) 12.119 2.168 ( 5.313 -1.878 0.250) 5.641 2.188 ( -2.364 4.980 -2.410) 6.016 2.311 ( -1.631 -2.305 0.864) 2.953 2.352 ( 0.486 -6.936 2.743) 7.475 2.465 ( 9.697 3.727 2.230) 10.625 2.526 ( 1.377 2.384 3.215) 4.233 2.617 ( -1.030 -2.293 3.196) 4.066 2.769 ( 1.573 0.542 -1.284) 2.101 2.840 ( 8.681 -0.326 5.549) 10.308 2.922 ( 4.769 -5.097 -7.996) 10.614 3.070 ( 0.807 1.945 -1.246) 2.447 3.094 ( 2.802 2.380 0.382) 3.696 3.194 ( 4.946 0.685 -4.175) 6.508 3.310 ( -0.739 -1.628 -0.104) 1.791 3.396 ( -4.360 -6.038 -1.669) 7.633 3.412 ( -1.863 -5.965 0.780) 6.298 3.470 ( -1.552 0.674 -4.549) 4.853 3.505 ( -3.024 -0.461 -4.647) 5.564 3.581 ( 4.044 -2.449 3.831) 6.085 3.746 ( 0.370 0.871 1.828) 2.058 3.758 ( -0.105 -2.781 -4.106) 4.960 3.831 ( -5.998 3.288 -3.038) 7.485 3.901 ( 0.356 4.482 5.018) 6.738 3.956 ( 0.273 3.253 2.641) 4.199 4.007 ( 2.764 2.365 -0.543) 3.678 4.019 ( 0.250 1.844 1.330) 2.287 4.102 ( 5.430 0.658 1.240) 5.609 4.117 ( 4.278 5.725 -2.975) 7.741 4.228 ( 2.210 2.926 0.742) 3.741 4.303 ( 3.960 -2.205 2.598) 5.224 4.319 ( 8.502 -0.232 3.801) 9.316 4.411 ( -1.336 2.229 0.923) 2.758 4.515 ( -3.853 6.061 -0.848) 7.232 4.570 ( 6.748 -1.695 -0.192) 6.960 4.643 ( 3.181 2.300 -1.587) 4.235 4.672 ( 5.162 -3.438 -1.272) 6.331 4.726 ( 0.060 2.035 1.980) 2.840 4.753 ( -4.414 9.493 2.399) 10.740 4.834 ( 5.344 0.509 2.254) 5.822 4.884 ( 7.589 -3.390 -1.824) 8.509 5.032 ( 9.089 4.763 -1.848) 10.426 5.078 ( 5.334 -7.363 -0.452) 9.104 5.170 ( 7.066 -5.577 1.868) 9.194 5.243 ( -1.757 -2.012 -4.680) 5.389 5.369 ( -4.214 -3.322 0.447) 5.385 5.406 ( 6.713 -1.932 1.339) 7.112 5.471 ( 3.376 -0.010 1.985) 3.916 5.630 ( 6.017 0.733 4.145) 7.343 5.756 ( -0.944 -2.416 -2.614) 3.683 5.771 ( -5.695 4.042 -4.574) 8.349 5.893 ( 0.193 0.282 2.605) 2.627 5.977 ( -0.958 -5.600 -0.987) 5.767 6.086 ( 2.993 0.301 -6.334) 7.012 6.169 ( 4.272 -2.944 3.116) 6.052 6.247 ( -8.619 0.675 -4.829) 9.903 6.340 ( 2.894 -0.680 -0.905) 3.107 6.388 ( 0.140 -0.829 -0.988) 1.298 6.467 ( -9.662 -3.067 -4.284) 11.005 6.548 ( 3.333 -4.415 -3.824) 6.725 6.661 ( -4.929 3.428 -1.278) 6.138 6.705 ( 0.618 0.011 -1.960) 2.055 6.773 ( -9.044 3.295 2.958) 10.069 6.834 ( 2.463 0.539 5.073) 5.665 6.901 ( 1.817 1.532 2.327) 3.326 6.996 ( -2.883 -1.975 3.265) 4.783 7.067 ( 0.679 2.395 5.643) 6.168 7.079 ( -3.227 -1.349 1.740) 3.906 7.203 ( -3.392 -4.246 -2.921) 6.170 7.312 ( -4.193 -0.232 -4.698) 6.301 7.332 ( -0.260 -0.931 -4.722) 4.820 7.399 ( -5.222 0.020 2.071) 5.618 7.488 ( -7.287 2.260 -3.889) 8.564 7.525 ( -2.096 -1.028 1.639) 2.852 7.587 ( -1.535 0.577 5.280) 5.529 7.689 ( -6.140 -0.923 6.594) 9.057 7.767 ( -1.119 3.409 0.622) 3.641 7.986 ( -6.582 1.727 3.852) 7.819 7.995 ( 3.286 6.840 -7.319) 10.542 8.061 ( -7.618 7.687 2.451) 11.096 8.332 ( -1.472 -2.267 0.228) 2.713 8.456 ( -2.918 -6.382 0.892) 7.074 8.552 ( 0.220 0.186 1.992) 2.013 8.714 ( -2.514 3.590 -3.837) 5.825 8.789 ( -3.643 2.394 -2.738) 5.147 8.842 ( -1.295 -6.071 0.104) 6.208 8.997 ( 3.191 -0.537 -4.742) 5.740 9.065 ( -1.456 0.962 -2.759) 3.265 9.091 ( 1.212 1.158 3.545) 3.922 9.157 ( 0.891 1.741 -1.931) 2.749 9.218 ( 0.846 0.713 -0.359) 1.163 9.336 ( 4.395 -3.186 0.229) 5.433 9.380 ( -5.183 -1.377 -0.472) 5.383 9.449 ( 1.142 -0.497 -1.555) 1.993 9.495 ( 0.184 2.053 1.622) 2.623 9.660 ( -1.925 -1.878 2.875) 3.937 9.697 ( -1.121 1.174 -0.439) 1.681 9.744 ( 0.795 4.054 -3.680) 5.533 9.858 ( -3.370 -0.521 2.095) 4.002 9.958 ( 1.627 -0.044 1.116) 1.974 9.973 ( -3.965 1.431 8.176) 9.199 10.083 ( 2.840 1.425 2.973) 4.351 10.206 ( -0.608 2.514 -0.717) 2.684 10.286 ( 3.760 0.243 -4.582) 5.932 10.297 ( -3.676 1.646 -3.842) 5.567 10.390 ( 2.774 -0.542 -4.100) 4.980 10.500 ( -1.645 0.206 -1.985) 2.586 10.598 ( 1.070 -2.248 3.347) 4.171 10.721 ( -2.655 -1.244 0.970) 3.088 10.741 ( 2.357 -1.009 -1.118) 2.797 10.817 ( -0.264 -1.149 2.301) 2.585 10.872 ( 3.979 -1.767 0.539) 4.387 10.919 ( 2.270 -0.839 -0.278) 2.436 10.955 ( -0.216 -0.245 0.855) 0.915 11.037 ( 0.878 -1.384 -1.868) 2.485 11.096 ( -0.231 -1.856 -0.273) 1.890 11.186 ( 0.470 0.512 -3.100) 3.176 11.359 ( 1.783 1.431 -3.407) 4.103 11.392 ( -0.997 0.712 -4.073) 4.253 11.456 ( -1.885 3.192 2.398) 4.415 11.520 ( -2.776 0.789 1.354) 3.188 11.602 ( -3.071 0.761 0.530) 3.208 11.654 ( 3.627 -5.009 0.503) 6.204 11.777 ( 3.993 -4.392 -1.218) 6.060 11.902 ( -0.838 -3.105 4.503) 5.533 11.926 ( 0.227 3.085 -5.478) 6.291 12.108 ( 4.627 -2.551 -2.822) 5.991 12.214 ( 7.056 0.869 0.985) 7.177 12.307 ( 0.260 0.176 -0.224) 0.386 12.480 ( -0.797 2.575 6.141) 6.707 12.683 ( 2.639 -10.135 0.267) 10.476 12.798 ( 0.197 13.731 -2.045) 13.884 12.952 ( -1.234 -8.217 -0.900) 8.357 13.389 ( -7.929 3.144 -7.526) 11.375 13.568 ( -0.727 5.357 7.485) 9.233 13.675 ( 5.135 -9.302 -7.070) 12.763 13.855 ( -0.085 -5.066 -1.701) 5.345 14.222 ( -1.054 -9.225 1.482) 9.403 14.371 ( -1.181 -9.140 0.633) 9.237 14.435 ( -3.984 -10.569 3.007) 11.688 14.525 ( 0.943 5.543 -7.277) 9.196 14.606 ( -1.614 4.848 -0.102) 5.110 14.886 ( 0.799 6.089 7.239) 9.492 15.373 ( 5.697 1.259 1.264) 5.970 15.403 ( 3.101 -3.449 4.494) 6.458 15.602 ( 3.671 5.736 -0.364) 6.820 15.630 ( 0.876 -2.985 3.134) 4.416 15.832 ( -0.604 1.566 3.508) 3.889 15.869 ( -3.390 8.705 -3.187) 9.871 15.994 ( -2.273 3.070 -2.566) 4.601 17.687 ( 0.162 2.699 -1.966) 3.343 17.887 ( 5.974 -2.011 -0.379) 6.315 18.034 ( 2.748 -0.100 -2.644) 3.815 18.072 ( 3.842 0.782 1.864) 4.341 18.716 ( 10.031 7.960 -4.342) 13.522 18.845 ( 2.580 3.963 -5.970) 7.616 19.057 ( 1.612 -0.379 -1.621) 2.317 19.203 ( 6.125 0.612 3.252) 6.962 19.362 ( 7.033 -4.245 -2.817) 8.685 19.454 ( 1.509 2.959 -3.039) 4.502 19.688 ( -2.476 -8.551 3.350) 9.512 19.925 ( -3.067 2.086 0.175) 3.714 20.104 ( -1.135 -1.989 0.537) 2.352 20.263 ( 0.449 -1.938 1.407) 2.437 20.374 ( -3.777 -1.344 5.444) 6.761 20.436 ( -2.931 -1.370 0.813) 3.336 20.645 ( -7.540 -0.448 -0.780) 7.593 20.905 ( -2.581 -2.573 15.190) 15.621 21.222 ( -2.512 -1.234 -5.832) 6.469 21.359 ( -2.943 -3.096 -0.426) 4.293 21.480 ( -7.211 6.092 -3.425) 10.041 21.640 ( -1.505 -1.474 0.082) 2.108 21.842 ( -7.275 7.279 1.953) 10.475 22.097 ( -8.410 1.907 1.028) 8.685 23.119 ( 0.840 0.375 -1.769) 1.994 23.143 ( 3.895 0.408 1.586) 4.226 23.169 ( 0.462 -0.778 -0.865) 1.251 23.203 ( 3.013 -1.109 0.673) 3.280 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 0.926 8.175 -3.645) 8.999 1.810 ( 12.374 3.406 -2.620) 13.099 2.078 ( 5.940 1.406 3.723) 7.149 2.128 ( 7.614 1.655 5.515) 9.546 2.186 ( -2.498 -4.042 -2.582) 5.408 2.290 ( 7.881 4.823 3.202) 9.779 2.398 ( -1.035 -1.144 1.079) 1.883 2.538 ( -0.022 -1.770 -1.078) 2.072 2.552 ( -0.355 -0.880 1.035) 1.404 2.664 ( 3.976 6.613 0.242) 7.720 2.717 ( -2.345 -0.080 0.682) 2.443 2.739 ( -6.080 0.750 -5.701) 8.368 2.894 ( -7.959 3.257 -1.587) 8.745 2.938 ( -10.501 2.319 -2.728) 11.095 3.070 ( -4.180 -6.624 -4.384) 8.976 3.231 ( -0.159 -4.997 2.720) 5.692 3.248 ( 2.354 0.762 -5.406) 5.945 3.304 ( -3.400 -8.315 -3.062) 9.491 3.420 ( -1.521 -7.738 -0.560) 7.905 3.573 ( 4.981 -7.283 -2.687) 9.223 3.597 ( 1.060 -1.183 3.854) 4.169 3.668 ( -3.752 -2.739 -0.236) 4.651 3.740 ( 2.078 0.568 1.621) 2.696 3.769 ( 0.866 1.693 -0.833) 2.076 3.899 ( 15.123 4.370 8.483) 17.882 3.964 ( 3.129 0.054 1.883) 3.653 4.002 ( 4.198 3.804 7.700) 9.559 4.069 ( 4.360 5.288 -1.074) 6.937 4.131 ( 4.035 5.193 -0.069) 6.577 4.168 ( 2.191 3.957 -0.180) 4.527 4.200 ( 4.867 4.816 -0.422) 6.860 4.278 ( -2.826 3.073 2.184) 4.711 4.323 ( 3.684 6.048 1.286) 7.197 4.406 ( 1.300 -1.282 -0.240) 1.841 4.450 ( 0.203 5.771 -0.433) 5.791 4.474 ( 1.199 -4.516 1.908) 5.047 4.589 ( 0.432 2.854 -3.121) 4.251 4.643 ( -3.642 -0.933 0.890) 3.864 4.681 ( 0.579 -1.073 -0.953) 1.548 4.738 ( -0.124 10.924 0.497) 10.936 4.851 ( 5.639 0.394 -1.670) 5.894 4.943 ( 0.396 0.124 -0.135) 0.436 5.024 ( 3.386 -1.747 -4.593) 5.967 5.062 ( -2.533 -5.350 3.642) 6.950 5.155 ( -4.172 -3.553 -4.182) 6.893 5.183 ( 3.352 0.052 -2.560) 4.219 5.272 ( 0.817 3.873 5.215) 6.547 5.361 ( 9.151 -5.197 -2.624) 10.846 5.486 ( -1.423 -1.662 -0.031) 2.188 5.581 ( 4.013 1.947 4.913) 6.636 5.641 ( 0.571 -0.333 0.043) 0.663 5.716 ( 0.877 -1.619 -6.867) 7.109 5.740 ( 1.787 1.248 -0.791) 2.319 5.839 ( -6.883 2.927 0.472) 7.495 5.953 ( -7.103 3.434 1.287) 7.994 6.066 ( 5.136 1.598 -3.241) 6.280 6.169 ( -0.469 -6.533 -4.936) 8.201 6.186 ( -0.682 -0.605 -0.528) 1.054 6.318 ( -1.703 0.208 3.983) 4.337 6.321 ( -0.193 9.239 -2.592) 9.598 6.434 ( -4.056 -2.336 1.949) 5.070 6.538 ( -2.559 0.267 3.804) 4.593 6.599 ( 0.056 -3.264 -0.999) 3.414 6.710 ( 6.642 -0.698 -1.168) 6.780 6.770 ( 0.638 1.533 1.238) 2.071 6.859 ( -1.425 -2.388 -1.150) 3.009 6.922 ( -3.563 -2.134 3.012) 5.131 7.017 ( 5.119 0.981 0.430) 5.230 7.052 ( -0.569 -1.923 0.599) 2.093 7.116 ( 0.611 2.046 1.515) 2.618 7.152 ( -1.153 -3.764 0.098) 3.938 7.234 ( -0.511 -0.844 -0.549) 1.129 7.285 ( -2.801 2.127 1.344) 3.765 7.303 ( -0.932 -1.816 -4.637) 5.067 7.375 ( -1.943 -0.666 0.909) 2.246 7.439 ( -6.928 0.762 -1.703) 7.175 7.553 ( -7.154 -0.654 0.050) 7.184 7.580 ( -1.661 -1.096 3.034) 3.628 7.811 ( 3.196 0.287 -0.417) 3.236 7.861 ( -2.897 1.069 3.256) 4.487 7.978 ( -1.313 -1.898 3.054) 3.828 8.042 ( -0.900 2.984 -2.545) 4.024 8.184 ( -6.370 -4.808 -3.179) 8.590 8.480 ( 1.276 -5.142 2.469) 5.845 8.544 ( -0.779 5.754 -2.220) 6.217 8.631 ( -2.583 4.911 0.227) 5.553 8.725 ( -0.635 -0.034 -2.464) 2.545 8.834 ( -0.479 -4.933 0.751) 5.012 9.021 ( 2.572 0.098 -2.942) 3.909 9.054 ( -0.342 -1.439 -0.316) 1.513 9.120 ( -2.681 -0.792 -0.366) 2.819 9.156 ( 3.321 0.729 4.579) 5.703 9.283 ( -3.765 -1.235 -5.444) 6.733 9.319 ( 3.269 4.746 -0.294) 5.770 9.359 ( 2.612 0.482 -0.119) 2.659 9.431 ( -1.881 1.990 -0.709) 2.828 9.561 ( 3.325 -4.060 2.030) 5.627 9.589 ( -0.317 -2.627 2.205) 3.444 9.731 ( -2.132 2.458 -0.153) 3.257 9.756 ( 1.768 1.962 -0.369) 2.666 9.830 ( -0.883 0.082 0.610) 1.076 9.884 ( -2.775 2.120 0.559) 3.536 9.944 ( -3.257 4.052 0.256) 5.205 10.114 ( -0.697 3.581 0.181) 3.653 10.189 ( -0.352 2.988 -0.309) 3.025 10.276 ( 0.962 -0.815 0.421) 1.329 10.389 ( -0.726 -0.735 -1.659) 1.954 10.418 ( 8.647 -0.165 1.916) 8.858 10.519 ( 3.904 0.697 -0.485) 3.995 10.593 ( -5.719 -2.979 -1.987) 6.748 10.643 ( -1.679 -4.231 0.562) 4.587 10.753 ( -0.644 0.300 1.267) 1.452 10.855 ( 1.202 -1.175 0.162) 1.689 10.924 ( 0.943 2.763 4.058) 4.999 10.951 ( 1.471 -1.869 -1.312) 2.716 10.988 ( 1.613 -1.849 -0.114) 2.457 11.007 ( -0.496 -1.050 -4.840) 4.977 11.075 ( -1.376 -0.334 0.356) 1.460 11.214 ( 1.892 3.714 1.254) 4.353 11.326 ( -1.289 -0.234 -2.472) 2.798 11.381 ( 0.812 3.130 -2.154) 3.885 11.433 ( -2.172 1.212 0.504) 2.538 11.482 ( -0.384 2.130 0.729) 2.284 11.546 ( -2.293 0.334 0.290) 2.335 11.706 ( 1.259 -5.524 0.032) 5.666 11.820 ( 1.076 -2.463 -0.690) 2.775 11.884 ( -1.604 2.408 2.000) 3.517 11.926 ( 1.383 -3.893 -2.886) 5.040 12.147 ( 1.401 -4.895 -1.145) 5.219 12.305 ( -0.393 4.099 1.199) 4.288 12.385 ( 7.648 3.391 -2.651) 8.776 12.498 ( -2.103 0.256 7.583) 7.873 12.717 ( 0.826 -9.345 0.147) 9.382 12.788 ( -0.263 12.634 -0.257) 12.639 12.933 ( -0.309 -6.047 -0.372) 6.067 13.201 ( -5.091 4.803 -5.539) 8.925 13.596 ( -0.216 4.878 3.205) 5.841 13.719 ( 2.733 -8.650 -3.289) 9.650 13.841 ( -0.643 -5.050 -0.245) 5.096 14.224 ( 0.257 -9.794 0.385) 9.805 14.340 ( -1.864 -13.648 0.762) 13.795 14.393 ( -0.857 -11.421 -0.054) 11.454 14.513 ( 0.401 8.278 -1.870) 8.496 14.582 ( -0.782 3.575 0.321) 3.674 14.926 ( 0.175 9.146 2.453) 9.471 15.439 ( 1.350 -4.215 0.024) 4.426 15.489 ( 2.202 1.128 1.971) 3.163 15.655 ( 0.406 -2.524 0.709) 2.653 15.672 ( 2.659 5.266 0.760) 5.948 15.799 ( -2.067 4.202 -1.051) 4.800 15.827 ( -1.081 5.661 0.720) 5.808 15.969 ( 0.245 3.255 -0.756) 3.350 17.675 ( -0.095 4.302 -0.941) 4.405 17.984 ( 3.130 -2.708 0.382) 4.157 18.032 ( -0.102 3.783 -2.022) 4.290 18.148 ( 1.811 1.484 1.067) 2.573 18.826 ( 3.284 2.861 -2.469) 5.006 18.906 ( 4.640 0.497 -2.114) 5.123 19.097 ( 2.282 2.422 0.450) 3.358 19.301 ( -0.366 0.163 0.817) 0.909 19.335 ( -3.056 2.009 0.387) 3.678 19.535 ( 5.361 -5.936 -1.927) 8.227 19.662 ( -1.121 -6.862 0.953) 7.018 19.915 ( 0.915 5.144 -0.015) 5.224 20.086 ( -1.124 -6.074 0.684) 6.215 20.244 ( -0.946 -4.898 1.545) 5.222 20.372 ( -1.486 -0.426 3.486) 3.814 20.395 ( -0.931 0.720 -1.026) 1.561 20.549 ( -2.091 -0.906 -0.734) 2.394 20.950 ( -0.229 -3.888 7.856) 8.768 21.128 ( -2.636 4.776 -7.314) 9.124 21.290 ( -1.513 -0.717 0.386) 1.718 21.402 ( -0.866 4.726 0.286) 4.813 21.589 ( -3.349 -2.560 -0.005) 4.216 21.764 ( -1.259 4.147 0.819) 4.410 21.969 ( -4.314 -0.836 0.207) 4.399 23.121 ( 0.312 0.386 -0.859) 0.992 23.165 ( 0.097 -0.708 -0.457) 0.848 23.213 ( 1.706 0.299 0.748) 1.886 23.251 ( 1.225 -0.756 0.386) 1.490 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 0.000 28.957 0.000) 28.957 1.275 ( 0.000 31.584 0.000) 31.584 1.652 ( 0.000 -17.216 0.000) 17.216 1.810 ( 0.000 4.059 0.000) 4.059 1.832 ( 0.000 -26.789 0.000) 26.789 2.006 ( 0.000 -14.813 0.000) 14.813 2.373 ( 0.000 8.328 0.000) 8.328 2.388 ( 0.000 36.501 0.000) 36.501 2.564 ( 0.000 -8.210 0.000) 8.210 2.604 ( 0.000 2.216 0.000) 2.216 2.784 ( 0.000 15.490 0.000) 15.490 2.861 ( 0.000 -1.491 0.000) 1.491 2.891 ( 0.000 2.054 0.000) 2.054 2.983 ( 0.000 -4.673 0.000) 4.673 2.987 ( 0.000 -3.197 0.000) 3.197 3.182 ( 0.000 -1.155 0.000) 1.155 3.222 ( 0.000 18.816 0.000) 18.816 3.347 ( 0.000 -13.148 0.000) 13.148 3.352 ( 0.000 -2.036 0.000) 2.036 3.602 ( 0.000 3.179 0.000) 3.179 3.676 ( 0.000 6.235 0.000) 6.235 3.701 ( 0.000 3.815 0.000) 3.815 3.742 ( 0.000 -0.138 0.000) 0.138 3.756 ( 0.000 1.553 0.000) 1.553 3.817 ( 0.000 1.462 0.000) 1.462 3.853 ( 0.000 -0.982 0.000) 0.982 3.954 ( 0.000 -10.309 0.000) 10.309 3.957 ( 0.000 4.652 0.000) 4.652 4.054 ( 0.000 -30.940 0.000) 30.940 4.056 ( 0.000 -2.732 0.000) 2.732 4.172 ( 0.000 2.483 0.000) 2.483 4.199 ( 0.000 -1.758 0.000) 1.758 4.228 ( 0.000 2.151 0.000) 2.151 4.333 ( 0.000 0.814 0.000) 0.814 4.363 ( 0.000 -4.840 0.000) 4.840 4.411 ( 0.000 12.476 0.000) 12.476 4.411 ( 0.000 -5.651 0.000) 5.651 4.490 ( 0.000 0.893 0.000) 0.893 4.541 ( 0.000 5.277 0.000) 5.277 4.556 ( 0.000 5.496 0.000) 5.496 4.680 ( 0.000 -2.191 0.000) 2.191 4.796 ( 0.000 -9.894 0.000) 9.894 4.906 ( 0.000 8.650 0.000) 8.650 4.971 ( 0.000 11.773 0.000) 11.773 5.040 ( 0.000 -3.984 0.000) 3.984 5.092 ( 0.000 -1.358 0.000) 1.358 5.157 ( 0.000 -6.777 0.000) 6.777 5.191 ( 0.000 -13.511 0.000) 13.511 5.223 ( 0.000 4.131 0.000) 4.131 5.274 ( 0.000 2.514 0.000) 2.514 5.454 ( 0.000 7.575 0.000) 7.575 5.517 ( 0.000 -1.841 0.000) 1.841 5.815 ( 0.000 -3.614 0.000) 3.614 5.858 ( 0.000 -4.890 0.000) 4.890 6.055 ( 0.000 -2.693 0.000) 2.693 6.089 ( 0.000 -7.915 0.000) 7.915 6.121 ( 0.000 2.634 0.000) 2.634 6.150 ( 0.000 1.767 0.000) 1.767 6.353 ( 0.000 -3.032 0.000) 3.032 6.359 ( 0.000 -2.263 0.000) 2.263 6.519 ( 0.000 6.885 0.000) 6.885 6.629 ( 0.000 4.001 0.000) 4.001 6.723 ( 0.000 -2.421 0.000) 2.421 6.735 ( 0.000 -9.305 0.000) 9.305 6.877 ( 0.000 2.318 0.000) 2.318 6.908 ( 0.000 -0.830 0.000) 0.830 7.073 ( 0.000 1.625 0.000) 1.625 7.112 ( 0.000 0.999 0.000) 0.999 7.115 ( 0.000 -3.098 0.000) 3.098 7.187 ( 0.000 -4.843 0.000) 4.843 7.235 ( 0.000 3.242 0.000) 3.242 7.329 ( 0.000 -5.601 0.000) 5.601 7.451 ( 0.000 2.254 0.000) 2.254 7.453 ( 0.000 4.782 0.000) 4.782 7.602 ( 0.000 5.489 0.000) 5.489 7.650 ( 0.000 2.503 0.000) 2.503 7.682 ( 0.000 -2.077 0.000) 2.077 7.708 ( 0.000 -1.840 0.000) 1.840 7.976 ( 0.000 4.670 0.000) 4.670 8.033 ( 0.000 3.385 0.000) 3.385 8.049 ( 0.000 6.469 0.000) 6.469 8.153 ( 0.000 -3.297 0.000) 3.297 8.421 ( 0.000 -2.676 0.000) 2.676 8.431 ( 0.000 -0.060 0.000) 0.060 8.759 ( 0.000 3.372 0.000) 3.372 8.774 ( 0.000 4.318 0.000) 4.318 8.853 ( 0.000 -5.916 0.000) 5.916 8.882 ( 0.000 -4.574 0.000) 4.574 9.019 ( 0.000 5.505 0.000) 5.505 9.024 ( 0.000 5.444 0.000) 5.444 9.150 ( 0.000 -4.211 0.000) 4.211 9.199 ( 0.000 -7.423 0.000) 7.423 9.307 ( 0.000 4.045 0.000) 4.045 9.313 ( 0.000 2.543 0.000) 2.543 9.408 ( 0.000 4.062 0.000) 4.062 9.461 ( 0.000 -1.612 0.000) 1.612 9.520 ( 0.000 -1.156 0.000) 1.156 9.546 ( 0.000 -2.987 0.000) 2.987 9.743 ( 0.000 -1.290 0.000) 1.290 9.747 ( 0.000 -0.435 0.000) 0.435 9.809 ( 0.000 8.339 0.000) 8.339 9.924 ( 0.000 -2.014 0.000) 2.014 10.058 ( 0.000 2.697 0.000) 2.697 10.061 ( 0.000 4.037 0.000) 4.037 10.137 ( 0.000 -3.259 0.000) 3.259 10.148 ( 0.000 -5.599 0.000) 5.599 10.460 ( 0.000 3.121 0.000) 3.121 10.508 ( 0.000 0.240 0.000) 0.240 10.563 ( 0.000 3.522 0.000) 3.522 10.573 ( 0.000 2.825 0.000) 2.825 10.613 ( 0.000 -1.755 0.000) 1.755 10.629 ( 0.000 -1.521 0.000) 1.521 10.751 ( 0.000 -5.627 0.000) 5.627 10.789 ( 0.000 -6.613 0.000) 6.613 10.859 ( 0.000 2.599 0.000) 2.599 10.912 ( 0.000 -2.796 0.000) 2.796 11.025 ( 0.000 6.512 0.000) 6.512 11.080 ( 0.000 -1.362 0.000) 1.362 11.176 ( 0.000 2.467 0.000) 2.467 11.300 ( 0.000 3.394 0.000) 3.394 11.308 ( 0.000 -8.453 0.000) 8.453 11.377 ( 0.000 -5.529 0.000) 5.529 11.572 ( 0.000 2.959 0.000) 2.959 11.606 ( 0.000 -0.578 0.000) 0.578 11.614 ( 0.000 3.073 0.000) 3.073 11.667 ( 0.000 -2.237 0.000) 2.237 11.898 ( 0.000 1.278 0.000) 1.278 11.975 ( 0.000 -4.990 0.000) 4.990 12.002 ( 0.000 8.610 0.000) 8.610 12.078 ( 0.000 0.496 0.000) 0.496 12.267 ( 0.000 0.956 0.000) 0.956 12.379 ( 0.000 -8.585 0.000) 8.585 12.549 ( 0.000 7.898 0.000) 7.898 12.754 ( 0.000 -12.965 0.000) 12.965 13.082 ( 0.000 14.133 0.000) 14.133 13.298 ( 0.000 -7.817 0.000) 7.817 13.639 ( 0.000 1.187 0.000) 1.187 13.716 ( 0.000 -7.366 0.000) 7.366 13.852 ( 0.000 14.175 0.000) 14.175 14.133 ( 0.000 -14.850 0.000) 14.850 14.391 ( 0.000 3.216 0.000) 3.216 14.466 ( 0.000 -4.382 0.000) 4.382 14.572 ( 0.000 1.974 0.000) 1.974 14.610 ( 0.000 -1.788 0.000) 1.788 14.973 ( 0.000 12.737 0.000) 12.737 15.183 ( 0.000 -9.005 0.000) 9.005 15.295 ( 0.000 7.966 0.000) 7.966 15.437 ( 0.000 -7.031 0.000) 7.031 15.694 ( 0.000 7.251 0.000) 7.251 15.787 ( 0.000 -2.311 0.000) 2.311 16.120 ( 0.000 1.113 0.000) 1.113 16.131 ( 0.000 -0.121 0.000) 0.121 17.692 ( 0.000 4.424 0.000) 4.424 17.775 ( 0.000 -3.958 0.000) 3.958 17.801 ( 0.000 1.046 0.000) 1.046 17.836 ( 0.000 -2.828 0.000) 2.828 18.741 ( 0.000 14.611 0.000) 14.611 18.897 ( 0.000 -1.527 0.000) 1.527 18.982 ( 0.000 3.053 0.000) 3.053 19.050 ( 0.000 -3.952 0.000) 3.952 19.118 ( 0.000 -0.822 0.000) 0.822 19.231 ( 0.000 -12.148 0.000) 12.148 19.933 ( 0.000 5.304 0.000) 5.304 20.036 ( 0.000 -5.217 0.000) 5.217 20.119 ( 0.000 0.985 0.000) 0.985 20.134 ( 0.000 -0.337 0.000) 0.337 20.467 ( 0.000 1.558 0.000) 1.558 20.516 ( 0.000 -3.316 0.000) 3.316 20.940 ( 0.000 5.927 0.000) 5.927 21.031 ( 0.000 -3.876 0.000) 3.876 21.168 ( 0.000 1.663 0.000) 1.663 21.242 ( 0.000 -6.103 0.000) 6.103 21.738 ( 0.000 3.929 0.000) 3.929 21.791 ( 0.000 -1.708 0.000) 1.708 22.234 ( 0.000 11.520 0.000) 11.520 22.430 ( 0.000 -8.808 0.000) 8.808 23.020 ( 0.000 1.307 0.000) 1.307 23.045 ( 0.000 -1.308 0.000) 1.308 23.141 ( 0.000 0.422 0.000) 0.422 23.153 ( 0.000 -0.743 0.000) 0.743 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 13.349 23.931 -0.272) 27.404 1.514 ( 15.389 16.867 0.972) 22.854 1.748 ( 2.363 0.055 -5.783) 6.247 1.806 ( 12.142 -8.848 5.622) 16.041 2.031 ( 3.177 -12.125 4.580) 13.345 2.084 ( 15.902 -16.823 4.140) 23.516 2.337 ( -0.971 8.284 6.488) 10.567 2.458 ( -2.697 1.590 -0.336) 3.149 2.540 ( 2.845 14.900 1.417) 15.235 2.635 ( 1.420 2.192 -0.204) 2.620 2.689 ( -6.691 6.914 -0.242) 9.625 2.818 ( 1.235 -0.093 -8.200) 8.293 2.929 ( 5.822 2.389 -1.065) 6.383 3.061 ( 3.589 -4.709 1.783) 6.183 3.122 ( 8.906 8.599 2.330) 12.597 3.194 ( -0.014 5.929 -3.130) 6.705 3.245 ( 1.746 1.911 2.266) 3.441 3.332 ( -0.721 0.142 -0.191) 0.759 3.362 ( 0.681 -4.475 1.659) 4.821 3.510 ( -6.427 0.174 1.816) 6.681 3.583 ( -3.056 0.934 -1.875) 3.705 3.637 ( -5.350 -0.642 -0.858) 5.456 3.768 ( -1.606 0.048 -0.382) 1.652 3.846 ( 4.176 -0.252 -3.926) 5.738 3.864 ( 1.541 2.975 0.967) 3.487 3.894 ( 1.098 -0.038 -0.651) 1.277 3.948 ( -0.459 -4.349 0.039) 4.373 3.990 ( 6.633 1.802 -3.350) 7.646 4.026 ( -0.278 -4.446 -1.737) 4.781 4.089 ( -0.996 -4.118 -2.833) 5.096 4.134 ( -5.640 -3.105 -1.708) 6.661 4.148 ( 0.778 -11.216 0.115) 11.244 4.229 ( 2.086 1.480 1.039) 2.761 4.266 ( 3.094 -4.511 1.735) 5.739 4.382 ( -1.199 7.074 0.372) 7.185 4.405 ( 1.910 -0.579 3.328) 3.881 4.469 ( 3.315 -0.935 2.415) 4.206 4.523 ( 0.793 0.236 0.239) 0.862 4.590 ( 5.007 0.397 2.710) 5.707 4.636 ( 8.347 -4.174 2.732) 9.724 4.772 ( 7.263 5.814 1.492) 9.422 4.894 ( -3.760 7.872 2.368) 9.040 4.911 ( 4.138 0.129 -5.234) 6.674 5.017 ( 5.316 7.962 2.503) 9.896 5.043 ( -1.815 1.144 1.485) 2.610 5.070 ( 0.815 -5.287 1.592) 5.582 5.109 ( -3.316 5.148 -1.495) 6.304 5.200 ( 1.464 -7.025 -0.156) 7.177 5.278 ( 6.172 -9.997 1.416) 11.834 5.314 ( 3.541 -4.360 6.379) 8.499 5.516 ( 6.112 7.033 -0.668) 9.342 5.620 ( 7.402 -2.214 -3.318) 8.408 5.802 ( 1.661 0.460 -2.675) 3.182 5.895 ( 2.437 -6.308 -3.027) 7.409 5.998 ( 0.477 -0.595 -9.478) 9.508 6.071 ( 2.359 -5.768 -7.547) 9.788 6.169 ( -3.799 6.008 6.375) 9.548 6.189 ( 3.512 2.535 0.380) 4.348 6.330 ( -3.212 -2.854 4.075) 5.921 6.378 ( 3.718 -7.867 -3.083) 9.232 6.443 ( -1.793 4.738 -4.817) 6.991 6.584 ( -6.421 -7.413 -11.218) 14.900 6.723 ( 4.030 4.216 3.361) 6.731 6.784 ( 0.219 -1.488 -0.104) 1.508 6.863 ( -1.628 2.852 2.864) 4.357 6.888 ( -1.461 2.439 1.435) 3.185 6.960 ( -8.496 -0.408 2.202) 8.786 7.050 ( -4.153 2.199 0.385) 4.715 7.072 ( -6.130 -7.168 1.133) 9.500 7.115 ( -4.744 -1.228 1.196) 5.044 7.230 ( -1.959 1.138 -2.061) 3.063 7.308 ( -1.800 -5.555 -4.137) 7.156 7.418 ( -1.091 2.612 -0.509) 2.876 7.445 ( 0.269 -1.329 1.325) 1.896 7.530 ( -4.904 4.922 5.252) 8.710 7.621 ( -4.612 -3.287 3.608) 6.715 7.691 ( -1.312 8.330 0.793) 8.470 7.772 ( -1.110 1.017 2.687) 3.081 7.973 ( -4.247 4.435 1.288) 6.274 8.035 ( -1.066 1.828 3.792) 4.343 8.086 ( 3.429 4.043 -6.441) 8.342 8.188 ( 6.430 -3.200 -2.045) 7.468 8.416 ( -1.491 0.571 4.055) 4.358 8.478 ( 1.139 -1.995 5.693) 6.139 8.588 ( -15.546 9.416 -1.329) 18.224 8.738 ( -3.637 -4.060 -3.599) 6.532 8.857 ( 2.656 0.312 -2.277) 3.512 8.890 ( -2.527 2.286 -2.643) 4.312 8.909 ( 3.856 -3.837 -0.308) 5.448 9.012 ( -6.543 -5.888 -1.237) 8.889 9.135 ( 2.693 1.535 -2.560) 4.020 9.202 ( 0.787 -3.510 -1.000) 3.734 9.274 ( -3.463 3.887 0.535) 5.233 9.290 ( -4.533 2.646 3.282) 6.190 9.422 ( 0.695 1.560 -0.278) 1.730 9.452 ( -2.011 -2.151 -0.546) 2.995 9.555 ( -0.285 2.649 2.968) 3.989 9.590 ( 2.445 0.249 4.237) 4.898 9.758 ( 1.217 0.555 -0.248) 1.360 9.788 ( -0.152 -0.770 -2.132) 2.272 9.835 ( 4.231 1.054 4.225) 6.071 9.890 ( 0.817 -2.132 2.146) 3.133 9.986 ( -7.390 1.573 3.066) 8.154 10.036 ( -1.627 -2.021 1.734) 3.120 10.232 ( 9.650 -0.538 -4.787) 10.786 10.239 ( 6.041 -0.347 -5.701) 8.314 10.430 ( -1.799 3.069 -4.397) 5.656 10.452 ( -4.506 0.681 -2.795) 5.346 10.531 ( -0.912 2.536 -1.419) 3.046 10.567 ( -0.739 -0.763 -0.563) 1.203 10.627 ( 2.428 -1.841 0.686) 3.123 10.666 ( 2.035 -2.428 0.343) 3.187 10.760 ( 2.369 -0.452 0.308) 2.432 10.819 ( -0.796 -2.314 0.496) 2.497 10.889 ( 2.022 -0.567 0.850) 2.266 10.923 ( 0.660 -2.521 1.057) 2.813 11.025 ( 1.044 2.568 1.699) 3.252 11.092 ( -4.445 -2.994 0.817) 5.421 11.146 ( 5.041 4.915 -3.353) 7.798 11.283 ( 2.315 -5.339 -1.301) 5.962 11.410 ( 3.686 -1.845 -3.738) 5.564 11.425 ( 5.557 -1.781 -0.622) 5.868 11.568 ( -1.179 3.412 1.680) 3.982 11.597 ( -2.389 0.718 3.560) 4.347 11.631 ( 2.541 0.121 -0.844) 2.680 11.655 ( -0.887 -1.166 0.129) 1.471 11.878 ( -1.726 -0.081 0.204) 1.740 11.936 ( -1.079 -5.456 -3.012) 6.325 12.076 ( 5.196 7.275 -0.007) 8.940 12.129 ( 4.091 2.477 2.759) 5.521 12.278 ( 0.983 0.638 0.764) 1.399 12.401 ( 2.229 -10.186 -0.269) 10.430 12.558 ( 0.246 7.784 1.361) 7.906 12.756 ( -0.136 -12.413 0.115) 12.414 13.091 ( 1.477 15.006 -1.945) 15.203 13.336 ( 4.136 -10.430 -2.052) 11.406 13.600 ( -3.288 2.795 -2.519) 4.996 13.693 ( -3.050 -6.402 2.620) 7.560 13.840 ( 0.046 11.850 -2.877) 12.194 14.097 ( -2.710 -13.358 -1.957) 13.770 14.305 ( -6.342 1.030 3.801) 7.465 14.375 ( -8.459 -5.993 4.707) 11.386 14.609 ( 3.799 4.502 -4.254) 7.266 14.674 ( 2.816 -1.897 -1.679) 3.787 14.981 ( 0.866 12.346 2.943) 12.721 15.195 ( 0.988 -9.461 2.133) 9.749 15.356 ( 4.584 6.803 2.521) 8.582 15.476 ( 3.223 -5.885 1.113) 6.801 15.708 ( 0.599 7.210 2.135) 7.543 15.803 ( 0.480 -2.507 2.802) 3.791 16.071 ( -3.271 2.432 -2.780) 4.934 16.094 ( -2.411 -0.027 -2.843) 3.728 17.719 ( 2.181 3.526 0.575) 4.186 17.777 ( 1.877 -2.116 -0.244) 2.839 17.899 ( 7.055 -0.128 1.549) 7.225 17.926 ( 7.143 -2.935 0.250) 7.726 18.791 ( 5.229 13.052 -2.307) 14.248 18.920 ( 2.577 0.472 -4.866) 5.527 19.012 ( 3.810 0.490 -2.329) 4.493 19.053 ( 2.227 -4.381 0.573) 4.948 19.177 ( 4.584 0.341 2.720) 5.341 19.294 ( 3.098 -10.926 7.009) 13.346 19.830 ( -5.485 7.267 -7.576) 11.845 19.959 ( -4.333 -5.668 -2.956) 7.723 20.162 ( 1.595 2.522 -1.182) 3.210 20.199 ( 2.970 -1.257 1.545) 3.576 20.420 ( -6.057 0.603 4.668) 7.671 20.454 ( -6.140 -2.534 3.133) 7.344 20.836 ( -7.146 2.185 -0.691) 7.504 20.879 ( -7.833 -1.742 0.402) 8.034 21.244 ( 2.218 0.601 1.562) 2.778 21.290 ( 1.821 -4.061 0.787) 4.519 21.684 ( -4.153 3.112 -2.428) 5.729 21.724 ( -4.888 -1.049 -3.619) 6.172 22.158 ( -7.801 9.811 1.749) 12.656 22.303 ( -10.937 -4.692 0.988) 11.942 23.063 ( 3.588 1.249 1.426) 4.058 23.091 ( 3.606 -1.644 0.935) 4.072 23.136 ( 0.221 0.789 -1.339) 1.570 23.155 ( 0.425 -1.058 -1.047) 1.548 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 15.789 11.260 -2.307) 19.529 1.717 ( 5.118 5.460 -4.413) 8.688 1.851 ( 13.229 8.024 5.361) 16.375 2.075 ( 8.494 -7.733 -0.850) 11.519 2.142 ( 2.623 -4.743 1.808) 5.713 2.234 ( -0.959 -5.401 -1.129) 5.600 2.354 ( -1.927 5.027 5.113) 7.425 2.464 ( 0.127 -6.426 5.579) 8.511 2.566 ( -2.359 3.189 -0.299) 3.978 2.644 ( 4.089 -1.374 3.399) 5.492 2.713 ( 5.347 5.885 2.429) 8.315 2.808 ( 3.128 -3.959 -6.726) 8.408 3.025 ( 2.935 6.179 -0.029) 6.841 3.045 ( -8.291 2.078 -4.846) 9.825 3.111 ( -3.485 -1.403 -4.940) 6.206 3.239 ( -5.568 -7.845 -0.728) 9.647 3.270 ( 0.571 0.622 -4.396) 4.476 3.298 ( -1.245 -3.480 -4.361) 5.717 3.429 ( 13.563 12.182 4.153) 18.697 3.527 ( -1.466 4.079 -2.565) 5.036 3.562 ( 1.233 4.009 -4.242) 5.965 3.579 ( -2.643 2.639 2.315) 4.395 3.705 ( 2.524 -1.471 -0.925) 3.065 3.738 ( -1.091 -0.470 -0.576) 1.320 3.838 ( -5.784 -1.568 2.060) 6.337 3.944 ( 0.638 0.554 6.408) 6.464 3.959 ( 2.777 -0.891 1.316) 3.200 3.998 ( 0.692 -7.464 2.621) 7.941 4.027 ( 3.488 2.589 -1.134) 4.489 4.122 ( 2.970 -3.855 2.997) 5.715 4.186 ( 6.406 5.547 -1.685) 8.640 4.283 ( 8.134 -2.114 1.906) 8.618 4.314 ( 6.675 2.774 2.642) 7.696 4.370 ( 0.079 5.059 1.211) 5.202 4.404 ( 2.330 -1.547 0.982) 2.964 4.479 ( 8.026 -9.529 2.686) 12.745 4.535 ( 2.427 0.130 0.242) 2.442 4.647 ( 7.783 -6.465 2.844) 10.510 4.704 ( 4.985 3.996 -0.118) 6.390 4.762 ( -5.377 8.907 1.431) 10.503 4.812 ( 4.115 -6.418 -0.767) 7.663 4.865 ( -0.246 -1.027 -1.013) 1.463 4.893 ( 0.899 7.195 -1.801) 7.471 4.994 ( 1.504 2.328 1.913) 3.368 5.089 ( 4.887 0.983 -5.758) 7.616 5.154 ( 1.445 1.295 -0.908) 2.143 5.175 ( 5.128 -0.508 0.348) 5.164 5.271 ( 5.927 -4.511 -0.113) 7.449 5.410 ( 7.450 2.779 7.792) 11.133 5.502 ( 5.304 -3.471 9.540) 11.454 5.630 ( 5.823 0.029 -1.879) 6.119 5.679 ( -0.189 -4.741 -1.639) 5.020 5.782 ( 0.282 1.706 -8.641) 8.812 5.872 ( 0.071 -4.659 -8.442) 9.642 5.973 ( -0.927 5.268 -4.900) 7.254 6.088 ( 3.053 -4.446 -4.086) 6.766 6.172 ( 0.999 8.421 3.287) 9.095 6.236 ( 2.777 -0.444 -0.958) 2.971 6.318 ( -1.171 -4.781 -0.911) 5.005 6.361 ( -0.530 -6.751 -4.141) 7.937 6.413 ( -1.121 2.498 -7.421) 7.910 6.463 ( 2.410 -2.769 -2.299) 4.331 6.706 ( -6.011 3.863 -1.052) 7.222 6.752 ( -0.812 2.129 -3.428) 4.116 6.800 ( -5.379 1.308 2.024) 5.894 6.852 ( -2.727 -1.022 1.869) 3.461 6.937 ( -1.277 -0.121 6.998) 7.115 6.953 ( -2.041 -2.543 2.781) 4.286 7.014 ( -0.568 0.500 2.204) 2.330 7.082 ( -1.924 -3.260 5.498) 6.675 7.162 ( -2.486 1.881 -2.693) 4.119 7.244 ( -0.761 -5.338 -6.559) 8.490 7.367 ( -4.455 2.627 -1.647) 5.428 7.415 ( -4.743 -1.582 0.582) 5.034 7.474 ( -5.125 1.947 7.576) 9.351 7.520 ( -7.380 -1.847 4.236) 8.708 7.632 ( -4.562 4.372 1.190) 6.429 7.693 ( -8.504 -0.500 3.851) 9.349 7.863 ( -5.292 6.062 1.334) 8.157 7.970 ( -6.739 -3.971 3.576) 8.601 8.133 ( 2.972 7.273 -6.920) 10.470 8.216 ( -9.605 3.998 -5.428) 11.735 8.288 ( -3.563 -1.198 -0.356) 3.776 8.345 ( -8.164 -3.896 1.225) 9.128 8.576 ( 4.013 3.059 3.288) 6.022 8.689 ( -0.656 -7.838 1.565) 8.019 8.762 ( -1.900 2.721 -4.220) 5.368 8.820 ( -4.790 -2.008 -2.180) 5.632 8.987 ( 3.305 1.145 -3.785) 5.153 9.031 ( 2.823 -2.621 -3.173) 4.990 9.162 ( 0.148 4.063 3.305) 5.240 9.206 ( -2.049 1.272 0.989) 2.606 9.239 ( 2.358 1.569 -0.869) 2.962 9.279 ( 4.691 -2.540 0.359) 5.347 9.374 ( -3.555 1.375 0.325) 3.826 9.426 ( -1.157 -2.449 1.588) 3.140 9.524 ( -2.371 1.934 1.369) 3.352 9.586 ( -5.884 -4.381 1.833) 7.562 9.746 ( 1.898 3.273 -0.088) 3.785 9.795 ( 1.421 -0.847 -1.969) 2.572 9.885 ( -2.536 3.901 0.087) 4.654 9.943 ( -0.252 -1.675 -0.257) 1.713 10.004 ( 3.962 1.921 6.892) 8.179 10.057 ( 3.324 -3.226 5.501) 7.191 10.280 ( -0.741 3.490 -1.799) 3.996 10.304 ( -0.267 0.754 -1.571) 1.763 10.340 ( -1.227 2.947 -3.909) 5.047 10.385 ( 2.126 -1.016 -5.170) 5.681 10.504 ( -0.697 1.508 -3.224) 3.627 10.556 ( 0.215 -2.613 -1.630) 3.087 10.672 ( -0.551 -1.139 0.359) 1.315 10.709 ( 1.722 -2.666 1.513) 3.516 10.813 ( 1.320 -0.053 1.435) 1.950 10.826 ( 3.614 -2.097 -2.023) 4.642 10.923 ( 2.112 1.260 0.386) 2.489 10.949 ( 1.650 -0.921 0.429) 1.937 11.018 ( -3.208 0.622 1.974) 3.818 11.059 ( 0.001 -2.628 3.339) 4.249 11.235 ( 5.010 4.883 -3.806) 7.964 11.335 ( 2.960 -4.332 -4.897) 7.177 11.425 ( 1.931 3.356 -4.537) 5.965 11.503 ( 1.388 -3.892 0.560) 4.170 11.538 ( -2.380 3.703 2.167) 4.906 11.570 ( -1.416 -0.906 0.932) 1.922 11.628 ( -1.590 2.040 -1.376) 2.930 11.693 ( 2.837 -4.145 -0.745) 5.078 11.855 ( -1.172 -0.944 2.428) 2.857 11.900 ( -0.082 -5.213 -3.633) 6.354 12.168 ( 3.916 9.630 -0.883) 10.433 12.263 ( 7.498 1.906 2.286) 8.067 12.321 ( 2.158 0.910 3.182) 3.951 12.451 ( 2.493 -12.441 0.340) 12.693 12.568 ( -0.689 7.001 2.675) 7.526 12.744 ( -1.236 -10.929 0.878) 11.034 13.110 ( 1.979 16.541 -2.840) 16.900 13.407 ( 4.196 -13.173 -5.031) 14.712 13.490 ( -4.527 5.309 -4.738) 8.434 13.638 ( -4.376 -7.096 3.342) 8.982 13.827 ( 0.258 9.048 -1.631) 9.197 14.045 ( -1.445 -10.781 1.305) 10.956 14.233 ( -3.553 -4.137 2.148) 5.861 14.242 ( -6.646 -5.824 1.718) 9.002 14.632 ( 0.599 4.322 -1.540) 4.627 14.673 ( -1.448 0.663 -0.434) 1.650 15.047 ( 2.900 10.606 3.548) 11.553 15.250 ( 2.708 -9.755 2.320) 10.386 15.469 ( 4.812 5.035 2.161) 7.292 15.555 ( 3.519 -3.972 1.171) 5.434 15.736 ( 0.750 6.527 2.354) 6.979 15.826 ( -0.404 -2.510 3.139) 4.040 15.992 ( -2.179 4.108 -3.473) 5.804 16.030 ( -1.725 0.107 -2.652) 3.165 17.763 ( 2.249 4.708 -1.218) 5.358 17.841 ( 4.374 -3.221 -0.823) 5.494 18.038 ( 5.382 0.772 0.506) 5.461 18.062 ( 5.737 -1.376 2.211) 6.301 18.871 ( 4.018 6.265 -3.624) 8.278 18.916 ( 0.901 1.875 -6.710) 7.025 19.076 ( 4.940 4.180 0.902) 6.534 19.189 ( 8.507 -3.755 -0.424) 9.309 19.293 ( 4.348 -0.405 2.831) 5.204 19.387 ( 0.907 -8.814 5.550) 10.455 19.694 ( -2.995 8.605 -5.722) 10.759 19.871 ( -2.110 -7.952 -2.132) 8.499 20.109 ( -4.092 2.978 -2.644) 5.710 20.187 ( -4.069 -4.742 -1.339) 6.390 20.367 ( -2.751 0.226 8.020) 8.482 20.388 ( -3.578 -2.195 7.279) 8.403 20.713 ( -3.153 5.934 -2.505) 7.172 20.825 ( -0.916 -5.394 2.506) 6.017 21.240 ( -1.384 2.237 -1.729) 3.148 21.293 ( -1.223 -3.298 -0.705) 3.588 21.568 ( -5.531 3.147 -1.980) 6.664 21.610 ( -4.218 -1.655 -1.357) 4.729 21.990 ( -9.548 7.310 1.848) 12.166 22.092 ( -10.616 -2.952 1.235) 11.088 23.130 ( 0.869 0.774 -1.166) 1.647 23.146 ( 0.860 -0.708 -0.521) 1.230 23.160 ( 3.441 0.578 0.713) 3.561 23.179 ( 3.309 -1.270 0.823) 3.639 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 2.065 10.206 -1.414) 10.508 1.868 ( 4.949 0.443 -0.767) 5.027 2.058 ( 0.412 -4.130 -1.987) 4.602 2.080 ( -1.547 -2.947 -3.714) 4.987 2.204 ( 8.093 5.919 5.837) 11.602 2.316 ( 4.253 -4.085 1.170) 6.012 2.398 ( 1.004 0.932 1.457) 2.000 2.457 ( 1.478 -4.601 4.129) 6.356 2.571 ( 3.390 3.780 0.953) 5.166 2.659 ( -3.849 -3.982 -0.101) 5.539 2.792 ( -6.569 4.821 -4.547) 9.331 2.841 ( 6.470 7.364 3.074) 10.273 2.883 ( -2.501 -4.390 -0.618) 5.090 2.943 ( -4.220 -2.959 -4.216) 6.659 3.065 ( -2.427 5.214 -2.712) 6.359 3.153 ( -3.026 -3.500 3.185) 5.617 3.218 ( -1.807 -0.350 -4.879) 5.215 3.233 ( -0.457 -2.147 -1.778) 2.825 3.348 ( -5.737 1.461 -6.835) 9.042 3.433 ( -1.121 -6.513 -7.067) 9.676 3.583 ( -0.073 0.080 2.153) 2.156 3.611 ( -0.615 -2.670 0.010) 2.740 3.769 ( 1.528 2.439 1.961) 3.482 3.796 ( 1.363 -0.217 2.027) 2.452 3.944 ( 2.634 -2.275 4.307) 5.537 3.953 ( -2.694 -1.884 3.744) 4.983 4.054 ( 8.525 7.867 4.330) 12.382 4.115 ( 5.290 0.144 1.600) 5.528 4.134 ( 3.937 -0.635 0.774) 4.062 4.207 ( 0.986 -4.452 2.531) 5.215 4.307 ( 3.340 6.877 -0.546) 7.664 4.351 ( 4.522 0.841 0.774) 4.665 4.397 ( 0.463 3.925 0.350) 3.967 4.449 ( 2.644 1.100 2.017) 3.503 4.484 ( 7.121 4.807 1.727) 8.764 4.581 ( 1.845 -1.323 1.698) 2.835 4.611 ( -2.148 0.910 0.047) 2.333 4.654 ( 4.626 10.506 -0.064) 11.479 4.765 ( -0.135 1.830 2.608) 3.188 4.780 ( 4.478 -2.890 -8.292) 9.857 4.847 ( -2.992 0.531 4.045) 5.059 4.877 ( 4.032 -1.851 -0.362) 4.452 4.953 ( 3.162 -8.240 -2.413) 9.150 5.023 ( -6.599 -6.564 -4.225) 10.221 5.088 ( 2.124 6.167 4.165) 7.739 5.206 ( 8.086 -5.494 0.156) 9.777 5.295 ( 1.578 5.716 -3.032) 6.660 5.360 ( 4.002 -0.770 1.224) 4.255 5.457 ( -4.680 2.867 -1.513) 5.693 5.539 ( -3.216 -3.749 0.281) 4.948 5.666 ( 2.147 3.778 3.606) 5.647 5.733 ( -2.792 2.210 1.322) 3.798 5.793 ( 5.909 0.723 -0.666) 5.990 5.845 ( 2.527 -2.596 -4.742) 5.968 5.961 ( 2.537 -0.006 -2.559) 3.604 6.042 ( -5.426 -6.441 -1.885) 8.630 6.163 ( -4.098 7.222 0.503) 8.319 6.241 ( 6.172 5.548 -4.620) 9.499 6.306 ( -1.971 -3.006 -0.715) 3.665 6.325 ( 1.683 -5.940 -4.361) 7.559 6.479 ( 1.561 3.136 1.619) 3.859 6.513 ( 3.131 -2.268 1.293) 4.077 6.618 ( -3.443 6.437 1.199) 7.398 6.700 ( 3.952 -0.517 -4.607) 6.092 6.775 ( -0.711 0.223 3.510) 3.589 6.808 ( -2.165 -3.221 -0.178) 3.885 6.894 ( -5.815 0.658 3.652) 6.898 6.995 ( 0.836 -7.596 2.231) 7.961 7.025 ( -0.445 0.958 1.538) 1.866 7.060 ( -1.541 -2.283 -0.592) 2.817 7.158 ( 2.882 2.251 0.211) 3.662 7.210 ( 1.423 -2.717 -0.218) 3.075 7.285 ( -1.075 1.553 -3.259) 3.766 7.310 ( -4.441 -0.117 -3.926) 5.929 7.391 ( -3.766 2.081 3.277) 5.409 7.432 ( -6.997 -1.488 0.612) 7.180 7.545 ( -5.988 0.176 3.523) 6.950 7.560 ( -1.481 -1.240 4.384) 4.790 7.829 ( -0.494 1.711 0.646) 1.895 7.871 ( -3.554 -1.631 1.854) 4.328 7.969 ( -7.219 3.102 -1.779) 8.056 8.054 ( -6.907 -3.928 -4.760) 9.262 8.190 ( -0.966 6.672 -1.202) 6.848 8.344 ( 1.311 -8.417 0.570) 8.537 8.617 ( -0.371 2.555 -0.792) 2.701 8.671 ( -0.596 -2.117 1.448) 2.633 8.766 ( 0.831 2.620 -1.297) 3.039 8.785 ( 1.243 0.798 0.191) 1.489 8.998 ( 0.882 -1.108 -2.706) 3.054 9.011 ( -0.746 -2.172 -1.875) 2.965 9.154 ( -2.138 2.555 0.053) 3.332 9.179 ( -0.339 0.573 3.108) 3.178 9.286 ( 0.062 2.879 -2.565) 3.857 9.358 ( -0.733 0.963 0.842) 1.474 9.385 ( 2.406 -0.247 0.425) 2.456 9.399 ( 1.989 -6.333 0.105) 6.639 9.511 ( -0.851 1.581 1.544) 2.368 9.547 ( 1.245 -1.846 1.566) 2.722 9.776 ( 0.281 1.817 0.629) 1.943 9.793 ( -0.468 0.352 -1.514) 1.624 9.861 ( 0.190 3.181 -0.447) 3.218 9.903 ( -1.393 -0.553 -1.107) 1.863 10.037 ( -2.262 5.171 2.595) 6.212 10.122 ( -0.431 -3.296 2.515) 4.168 10.237 ( -0.790 4.205 -1.178) 4.438 10.313 ( 2.591 -1.744 0.537) 3.169 10.379 ( 0.539 2.390 -3.701) 4.438 10.406 ( 3.143 -0.251 1.822) 3.641 10.498 ( 1.166 -0.813 1.123) 1.812 10.548 ( 0.157 -4.800 -1.239) 4.959 10.620 ( -2.733 4.464 -1.857) 5.554 10.717 ( -1.235 -4.239 -0.027) 4.416 10.842 ( 1.568 0.110 -0.330) 1.607 10.876 ( 0.704 -3.715 -0.344) 3.797 10.981 ( 2.190 0.366 1.043) 2.453 10.989 ( 2.029 0.301 -0.890) 2.236 10.997 ( 0.540 3.324 0.875) 3.479 11.062 ( -1.528 -2.135 1.675) 3.115 11.283 ( 1.464 3.101 -0.134) 3.432 11.318 ( -0.572 -0.629 -3.354) 3.460 11.447 ( 1.763 3.122 -2.386) 4.307 11.489 ( -1.514 1.776 0.665) 2.427 11.517 ( -0.400 2.798 2.360) 3.682 11.569 ( -2.961 3.410 -1.872) 4.889 11.589 ( 1.760 -5.276 -0.408) 5.577 11.703 ( -0.337 -8.067 -1.547) 8.221 11.863 ( 0.057 -1.095 2.125) 2.392 11.891 ( 0.464 -3.289 -1.605) 3.689 12.213 ( 1.245 11.398 -0.532) 11.478 12.365 ( 1.797 1.712 -0.079) 2.484 12.423 ( 4.988 -0.914 1.995) 5.449 12.490 ( 0.815 -12.604 0.783) 12.654 12.562 ( -1.391 7.158 1.874) 7.529 12.731 ( -0.484 -9.786 1.034) 9.853 13.132 ( 1.421 18.252 -0.945) 18.331 13.335 ( -3.826 8.108 -3.805) 9.740 13.492 ( 4.450 -14.134 -4.364) 15.447 13.569 ( -4.574 -10.856 3.107) 12.183 13.835 ( 0.698 8.936 0.263) 8.967 14.054 ( 0.612 -11.896 1.700) 12.032 14.143 ( -3.224 -2.442 -0.127) 4.047 14.195 ( -1.332 -7.398 0.139) 7.518 14.628 ( 0.125 2.922 -0.586) 2.983 14.640 ( -1.505 1.997 0.575) 2.566 15.109 ( 1.403 10.507 1.425) 10.695 15.306 ( 1.436 -9.328 0.873) 9.478 15.547 ( 1.853 3.712 0.820) 4.229 15.608 ( 1.157 -2.635 0.487) 2.919 15.765 ( 0.926 4.414 0.916) 4.602 15.821 ( -1.076 -1.107 1.002) 1.841 15.952 ( -0.454 5.247 -1.258) 5.415 16.004 ( -0.025 -0.211 -0.876) 0.902 17.788 ( 0.922 6.839 -0.746) 6.941 17.907 ( 2.171 -5.271 -0.472) 5.721 18.109 ( 1.826 3.600 0.062) 4.037 18.155 ( 2.250 -1.046 1.041) 2.691 18.885 ( 0.023 2.603 -2.636) 3.704 18.911 ( 1.647 -0.241 -2.171) 2.735 19.177 ( 3.490 6.199 0.997) 7.183 19.307 ( 0.390 -5.768 0.826) 5.840 19.323 ( 0.295 2.517 0.124) 2.538 19.409 ( 0.817 -6.574 0.166) 6.627 19.654 ( 0.424 7.376 -1.294) 7.501 19.864 ( 1.024 -12.172 -0.556) 12.227 20.040 ( -1.353 4.557 -0.291) 4.763 20.139 ( -0.205 -5.493 0.973) 5.583 20.359 ( -2.058 -0.434 3.184) 3.815 20.367 ( -2.056 -1.418 3.127) 4.002 20.659 ( -1.111 8.769 -1.839) 9.028 20.824 ( -0.578 -8.152 0.694) 8.202 21.220 ( 0.747 3.803 -1.969) 4.347 21.269 ( -0.155 -1.636 -0.375) 1.686 21.483 ( -2.226 3.612 -0.005) 4.243 21.540 ( -2.525 -2.595 0.298) 3.633 21.854 ( -4.149 4.894 0.644) 6.448 21.933 ( -5.184 -3.140 0.358) 6.071 23.132 ( 0.251 0.768 -0.708) 1.074 23.149 ( 0.193 -0.931 -0.544) 1.096 23.221 ( 1.602 0.551 0.626) 1.806 23.235 ( 1.426 -0.857 0.497) 1.737 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -4.506 0.000 32.417) 32.729 0.636 ( 2.839 0.000 33.015) 33.137 1.012 ( 5.384 0.000 47.158) 47.464 1.821 ( -5.453 0.000 -4.754) 7.234 1.957 ( -1.558 0.000 -4.642) 4.896 2.139 ( 8.562 0.000 -21.607) 23.242 2.316 ( 1.733 0.000 1.667) 2.405 2.441 ( 1.966 0.000 7.194) 7.458 2.494 ( 4.101 0.000 -0.211) 4.107 2.749 ( 0.930 0.000 -0.963) 1.339 2.759 ( -4.482 0.000 6.722) 8.079 2.805 ( 3.705 0.000 0.450) 3.732 2.954 ( -8.779 0.000 -6.551) 10.954 3.020 ( 0.242 0.000 -6.175) 6.179 3.056 ( -13.012 0.000 1.341) 13.081 3.130 ( 3.653 0.000 -0.004) 3.653 3.224 ( 1.600 0.000 1.997) 2.559 3.338 ( 3.233 0.000 -0.818) 3.334 3.394 ( -1.941 0.000 0.737) 2.076 3.527 ( -1.649 0.000 -9.812) 9.950 3.618 ( 4.131 0.000 0.122) 4.133 3.625 ( 0.318 0.000 0.454) 0.554 3.659 ( 0.592 0.000 -3.768) 3.814 3.748 ( 0.006 0.000 -0.229) 0.229 3.774 ( -1.021 0.000 1.013) 1.439 3.775 ( -2.117 0.000 0.646) 2.213 3.812 ( -7.659 0.000 3.592) 8.459 3.960 ( 3.437 0.000 3.378) 4.819 3.968 ( 9.775 0.000 -8.566) 12.997 4.095 ( -0.257 0.000 -3.450) 3.459 4.130 ( -4.470 0.000 -3.232) 5.516 4.156 ( 6.664 0.000 -7.951) 10.374 4.247 ( -0.749 0.000 -2.135) 2.262 4.255 ( -10.519 0.000 -5.307) 11.782 4.395 ( -0.870 0.000 4.476) 4.560 4.407 ( 1.711 0.000 2.744) 3.234 4.462 ( 3.077 0.000 2.858) 4.200 4.510 ( -0.496 0.000 4.801) 4.826 4.554 ( 7.160 0.000 1.708) 7.360 4.706 ( 3.123 0.000 -1.981) 3.699 4.821 ( 1.949 0.000 0.359) 1.982 4.855 ( 1.555 0.000 2.060) 2.581 4.871 ( -4.583 0.000 -5.789) 7.384 4.960 ( -5.790 0.000 -0.366) 5.801 5.017 ( 7.004 0.000 0.466) 7.019 5.031 ( -0.015 0.000 -6.382) 6.382 5.163 ( -1.272 0.000 5.135) 5.290 5.244 ( -3.192 0.000 3.439) 4.692 5.360 ( 3.958 0.000 8.372) 9.261 5.465 ( 0.382 0.000 2.944) 2.969 5.675 ( -2.637 0.000 -9.924) 10.268 5.750 ( 2.032 0.000 -10.593) 10.786 5.859 ( -0.966 0.000 5.282) 5.370 5.967 ( 4.485 0.000 3.950) 5.976 6.098 ( -0.934 0.000 -13.651) 13.683 6.177 ( -11.208 0.000 4.985) 12.266 6.180 ( -1.285 0.000 4.382) 4.567 6.348 ( 2.445 0.000 15.589) 15.780 6.350 ( -3.063 0.000 -3.689) 4.795 6.520 ( 8.354 0.000 -2.577) 8.743 6.551 ( 1.411 0.000 1.416) 2.000 6.572 ( 3.253 0.000 -4.134) 5.261 6.684 ( -9.330 0.000 1.305) 9.421 6.746 ( 1.784 0.000 2.800) 3.321 6.802 ( 2.909 0.000 10.445) 10.842 6.896 ( 3.265 0.000 -0.651) 3.329 6.972 ( -10.279 0.000 -5.207) 11.523 6.986 ( -0.281 0.000 -4.663) 4.672 7.111 ( 1.294 0.000 -2.842) 3.123 7.166 ( -4.003 0.000 -4.837) 6.278 7.251 ( -4.697 0.000 -5.817) 7.477 7.365 ( -0.898 0.000 -10.494) 10.532 7.424 ( 3.583 0.000 -3.535) 5.034 7.470 ( -2.931 0.000 1.612) 3.345 7.537 ( -3.360 0.000 4.288) 5.448 7.662 ( 0.297 0.000 -2.208) 2.228 7.684 ( 4.116 0.000 -1.322) 4.323 7.727 ( 1.159 0.000 4.282) 4.436 7.754 ( 0.338 0.000 6.478) 6.486 8.012 ( -6.360 0.000 12.753) 14.251 8.037 ( 12.626 0.000 7.127) 14.498 8.150 ( -1.173 0.000 8.253) 8.336 8.326 ( 7.006 0.000 0.884) 7.061 8.360 ( -4.321 0.000 5.450) 6.955 8.571 ( 0.119 0.000 2.232) 2.235 8.749 ( -1.178 0.000 -0.662) 1.352 8.807 ( 4.084 0.000 -1.323) 4.293 8.894 ( -5.676 0.000 -5.152) 7.666 8.972 ( -4.790 0.000 -4.007) 6.245 9.113 ( -4.703 0.000 3.205) 5.691 9.128 ( 0.639 0.000 -6.578) 6.609 9.192 ( 2.464 0.000 2.048) 3.204 9.245 ( 4.850 0.000 4.072) 6.333 9.256 ( -3.833 0.000 -1.796) 4.232 9.327 ( -4.726 0.000 -4.135) 6.280 9.442 ( -1.819 0.000 1.789) 2.551 9.575 ( 1.841 0.000 -2.310) 2.954 9.639 ( -0.300 0.000 -0.582) 0.655 9.708 ( -0.382 0.000 0.070) 0.388 9.797 ( -7.263 0.000 -1.705) 7.461 9.861 ( -6.338 0.000 0.595) 6.366 9.911 ( -0.664 0.000 -0.039) 0.665 10.052 ( 12.373 0.000 1.304) 12.441 10.061 ( 1.897 0.000 -5.196) 5.532 10.228 ( 0.245 0.000 0.031) 0.247 10.312 ( -0.702 0.000 0.493) 0.858 10.329 ( 11.905 0.000 -8.391) 14.565 10.502 ( -4.182 0.000 6.971) 8.129 10.530 ( 4.309 0.000 -1.963) 4.735 10.573 ( -3.809 0.000 -3.732) 5.333 10.640 ( -2.106 0.000 -2.985) 3.654 10.670 ( -0.503 0.000 -1.259) 1.356 10.775 ( 3.943 0.000 3.291) 5.136 10.797 ( 1.064 0.000 -0.752) 1.303 10.899 ( 1.693 0.000 -0.902) 1.918 10.947 ( -4.650 0.000 -3.922) 6.083 11.023 ( -2.709 0.000 -0.948) 2.870 11.093 ( 2.588 0.000 -3.906) 4.686 11.138 ( 6.652 0.000 3.994) 7.759 11.182 ( 0.576 0.000 3.274) 3.324 11.419 ( -2.655 0.000 -0.039) 2.655 11.440 ( -0.468 0.000 0.545) 0.719 11.490 ( -0.687 0.000 4.774) 4.824 11.498 ( 0.277 0.000 2.141) 2.159 11.674 ( 3.653 0.000 1.410) 3.916 11.687 ( -2.081 0.000 -0.718) 2.201 11.810 ( -2.557 0.000 5.834) 6.369 11.878 ( -1.639 0.000 -0.358) 1.677 11.945 ( -1.235 0.000 0.165) 1.246 11.963 ( 4.467 0.000 -0.178) 4.470 12.385 ( 0.619 0.000 -2.253) 2.337 12.408 ( 0.571 0.000 -3.211) 3.261 12.554 ( -1.627 0.000 6.353) 6.558 12.805 ( -1.809 0.000 2.949) 3.459 13.086 ( -0.663 0.000 -3.518) 3.580 13.511 ( 5.866 0.000 -0.872) 5.930 13.580 ( -0.722 0.000 -1.486) 1.652 13.671 ( 6.775 0.000 -19.334) 20.486 13.691 ( -2.145 0.000 4.111) 4.636 13.925 ( -2.123 0.000 -3.728) 4.290 14.516 ( 0.231 0.000 3.113) 3.121 14.570 ( 0.597 0.000 0.732) 0.945 14.605 ( -3.761 0.000 9.256) 9.991 14.616 ( 1.728 0.000 2.460) 3.007 15.077 ( -1.579 0.000 5.285) 5.515 15.276 ( 1.043 0.000 -1.278) 1.650 15.297 ( 1.809 0.000 -1.241) 2.194 15.534 ( -0.043 0.000 8.709) 8.709 15.634 ( 3.174 0.000 -7.448) 8.096 15.906 ( -1.428 0.000 3.524) 3.803 16.056 ( 0.016 0.000 -2.045) 2.045 16.240 ( -11.916 0.000 -2.693) 12.217 17.603 ( -6.421 0.000 0.348) 6.430 17.676 ( -3.083 0.000 -0.768) 3.177 17.789 ( -0.499 0.000 0.337) 0.602 17.859 ( 3.020 0.000 -0.377) 3.043 18.327 ( -1.713 0.000 2.634) 3.142 18.701 ( -2.812 0.000 -7.795) 8.286 18.932 ( -1.300 0.000 4.313) 4.504 18.998 ( 3.667 0.000 5.196) 6.360 19.162 ( -1.349 0.000 -0.200) 1.363 19.279 ( 1.157 0.000 -4.139) 4.298 19.995 ( 0.778 0.000 0.380) 0.866 20.015 ( -6.014 0.000 0.002) 6.014 20.111 ( 0.610 0.000 1.604) 1.716 20.127 ( 0.779 0.000 0.457) 0.903 20.472 ( 0.634 0.000 0.459) 0.783 20.581 ( -0.479 0.000 -2.207) 2.258 21.164 ( -2.621 0.000 1.664) 3.104 21.203 ( 0.407 0.000 2.283) 2.319 21.251 ( 31.286 0.000 -0.282) 31.288 21.470 ( -4.594 0.000 -3.928) 6.044 21.545 ( 3.216 0.000 0.968) 3.359 21.764 ( -4.272 0.000 -4.702) 6.353 22.139 ( 0.939 0.000 1.126) 1.466 22.151 ( 1.148 0.000 0.557) 1.276 23.005 ( 1.457 0.000 1.433) 2.043 23.095 ( -2.567 0.000 0.982) 2.748 23.115 ( -1.476 0.000 -1.331) 1.988 23.165 ( -0.258 0.000 -0.683) 0.730 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 15.942 0.000 18.684) 24.561 1.081 ( 19.247 0.000 23.366) 30.272 1.622 ( -7.445 0.000 -6.240) 9.714 1.789 ( 30.087 0.000 10.215) 31.773 1.962 ( 7.975 0.000 -2.545) 8.371 2.225 ( 8.191 0.000 -16.538) 18.455 2.309 ( 0.461 0.000 10.919) 10.929 2.503 ( 1.826 0.000 12.461) 12.594 2.578 ( 3.675 0.000 -2.441) 4.412 2.745 ( -6.243 0.000 -0.412) 6.256 2.762 ( -1.271 0.000 4.744) 4.911 2.799 ( 3.017 0.000 4.411) 5.344 2.855 ( 1.044 0.000 -1.555) 1.873 3.047 ( -0.571 0.000 3.241) 3.291 3.073 ( -1.506 0.000 -6.451) 6.624 3.114 ( 12.976 0.000 1.694) 13.086 3.284 ( -7.596 0.000 0.604) 7.620 3.358 ( 7.598 0.000 -2.717) 8.069 3.405 ( 2.241 0.000 -2.845) 3.622 3.490 ( 4.384 0.000 -7.265) 8.485 3.529 ( -6.487 0.000 -1.027) 6.567 3.648 ( 2.647 0.000 -8.167) 8.585 3.695 ( 5.576 0.000 0.227) 5.581 3.719 ( 1.175 0.000 0.183) 1.189 3.725 ( -5.763 0.000 -1.002) 5.850 3.853 ( 1.319 0.000 5.215) 5.379 3.867 ( 9.706 0.000 -0.286) 9.711 3.967 ( -5.224 0.000 -6.756) 8.540 3.995 ( -8.250 0.000 -8.681) 11.976 4.022 ( 0.026 0.000 4.494) 4.494 4.073 ( 6.434 0.000 -4.600) 7.909 4.209 ( 8.143 0.000 3.295) 8.784 4.255 ( 1.209 0.000 1.633) 2.032 4.271 ( -0.431 0.000 -1.131) 1.211 4.377 ( -2.956 0.000 0.557) 3.008 4.442 ( 3.259 0.000 -3.432) 4.733 4.456 ( 6.057 0.000 0.046) 6.057 4.526 ( -0.856 0.000 3.320) 3.428 4.679 ( 2.202 0.000 2.573) 3.386 4.714 ( 0.691 0.000 -7.082) 7.115 4.778 ( -3.230 0.000 -0.430) 3.258 4.811 ( 3.854 0.000 -3.532) 5.228 4.861 ( -2.867 0.000 6.237) 6.864 4.867 ( -3.241 0.000 5.293) 6.206 5.022 ( 1.764 0.000 -2.941) 3.429 5.111 ( 2.081 0.000 -3.526) 4.094 5.217 ( 4.253 0.000 1.066) 4.384 5.237 ( 0.276 0.000 -1.312) 1.340 5.459 ( 3.160 0.000 0.943) 3.298 5.549 ( -2.473 0.000 -7.132) 7.548 5.563 ( 4.553 0.000 7.608) 8.866 5.781 ( 2.461 0.000 -1.735) 3.011 5.860 ( -0.395 0.000 0.489) 0.629 5.943 ( -12.093 0.000 2.972) 12.453 6.064 ( 2.844 0.000 -5.893) 6.544 6.076 ( 2.611 0.000 -2.485) 3.605 6.153 ( -3.688 0.000 8.273) 9.058 6.292 ( -1.387 0.000 1.340) 1.929 6.431 ( 2.129 0.000 4.649) 5.114 6.473 ( -7.413 0.000 3.014) 8.003 6.527 ( -1.155 0.000 4.360) 4.510 6.538 ( -4.833 0.000 -10.540) 11.596 6.744 ( 0.855 0.000 6.449) 6.505 6.747 ( -5.364 0.000 -0.325) 5.374 6.818 ( -3.567 0.000 0.087) 3.568 6.866 ( 0.197 0.000 -0.485) 0.524 6.895 ( 2.352 0.000 5.540) 6.018 6.996 ( 6.720 0.000 0.853) 6.774 7.098 ( -1.447 0.000 0.104) 1.450 7.109 ( 1.032 0.000 -5.324) 5.423 7.201 ( 2.821 0.000 -4.767) 5.539 7.263 ( -2.186 0.000 -7.068) 7.399 7.354 ( -6.640 0.000 -1.051) 6.723 7.385 ( -3.990 0.000 -6.120) 7.306 7.494 ( -3.631 0.000 -1.054) 3.781 7.612 ( -4.779 0.000 3.356) 5.840 7.758 ( -1.402 0.000 1.296) 1.910 7.772 ( 4.977 0.000 0.824) 5.044 7.789 ( -2.062 0.000 6.505) 6.824 7.954 ( -6.811 0.000 11.659) 13.503 8.169 ( 0.298 0.000 12.285) 12.289 8.217 ( -13.151 0.000 5.325) 14.188 8.306 ( 5.353 0.000 3.676) 6.494 8.539 ( 5.029 0.000 -5.271) 7.285 8.674 ( -1.815 0.000 -1.265) 2.212 8.697 ( -2.831 0.000 -5.431) 6.125 8.709 ( 7.671 0.000 -2.123) 7.959 8.733 ( -7.639 0.000 1.243) 7.740 8.978 ( 4.344 0.000 -6.811) 8.078 9.001 ( -6.469 0.000 -5.027) 8.193 9.084 ( 1.233 0.000 4.598) 4.760 9.169 ( -7.626 0.000 -2.489) 8.022 9.259 ( 0.412 0.000 3.121) 3.148 9.353 ( 6.589 0.000 0.346) 6.598 9.356 ( 2.852 0.000 2.050) 3.513 9.433 ( 0.428 0.000 -0.101) 0.440 9.536 ( -7.343 0.000 0.113) 7.344 9.588 ( 0.050 0.000 -0.717) 0.719 9.669 ( -1.239 0.000 -1.626) 2.044 9.698 ( -0.278 0.000 -3.526) 3.537 9.896 ( 6.141 0.000 2.919) 6.799 9.938 ( 2.134 0.000 -0.519) 2.196 10.092 ( 2.105 0.000 -0.210) 2.115 10.121 ( 0.862 0.000 1.403) 1.647 10.165 ( -9.060 0.000 -7.121) 11.524 10.218 ( -0.498 0.000 3.240) 3.278 10.309 ( -7.120 0.000 -6.611) 9.716 10.452 ( -3.697 0.000 2.928) 4.716 10.488 ( 0.154 0.000 -2.805) 2.809 10.612 ( 2.912 0.000 -1.448) 3.253 10.660 ( 0.093 0.000 -1.862) 1.865 10.681 ( 4.656 0.000 1.280) 4.829 10.840 ( 3.443 0.000 -2.121) 4.044 10.866 ( 3.011 0.000 1.745) 3.480 10.880 ( -0.095 0.000 -1.074) 1.078 10.967 ( -1.239 0.000 0.310) 1.278 11.005 ( 0.833 0.000 -0.018) 0.834 11.167 ( 0.577 0.000 0.440) 0.726 11.202 ( -1.381 0.000 1.987) 2.419 11.330 ( -2.757 0.000 -2.303) 3.592 11.422 ( 9.860 0.000 -10.774) 14.605 11.424 ( -2.145 0.000 2.294) 3.140 11.551 ( 0.846 0.000 0.993) 1.304 11.561 ( 7.859 0.000 -2.896) 8.375 11.637 ( 1.538 0.000 -1.429) 2.099 11.733 ( 1.443 0.000 -3.007) 3.335 11.800 ( -1.583 0.000 1.429) 2.133 11.946 ( 7.606 0.000 1.721) 7.799 11.968 ( 3.187 0.000 -1.722) 3.623 12.045 ( 2.341 0.000 4.326) 4.918 12.397 ( -0.092 0.000 -0.734) 0.739 12.418 ( 4.891 0.000 -3.995) 6.316 12.599 ( 1.066 0.000 7.077) 7.157 12.806 ( 0.045 0.000 2.877) 2.878 13.042 ( -1.465 0.000 -2.951) 3.295 13.450 ( -9.160 0.000 -5.926) 10.910 13.563 ( 0.031 0.000 2.139) 2.139 13.653 ( 5.347 0.000 -20.567) 21.251 13.736 ( 3.022 0.000 3.291) 4.468 14.008 ( 9.844 0.000 -9.128) 13.425 14.507 ( -1.258 0.000 0.726) 1.452 14.569 ( -1.360 0.000 1.266) 1.858 14.608 ( -2.673 0.000 11.004) 11.324 14.648 ( -0.427 0.000 3.124) 3.153 15.034 ( -6.821 0.000 4.952) 8.429 15.305 ( 4.185 0.000 -2.451) 4.850 15.378 ( 6.352 0.000 -0.714) 6.392 15.573 ( -2.035 0.000 10.904) 11.092 15.651 ( 2.616 0.000 -6.671) 7.166 15.890 ( -1.109 0.000 1.859) 2.164 15.895 ( -14.348 0.000 12.206) 18.837 15.993 ( -5.051 0.000 -1.732) 5.339 17.646 ( 0.103 0.000 -1.564) 1.568 17.802 ( 2.808 0.000 -0.061) 2.809 17.816 ( 13.015 0.000 -8.482) 15.535 17.958 ( 6.224 0.000 -0.581) 6.251 18.396 ( 7.261 0.000 3.756) 8.174 18.657 ( 2.721 0.000 -6.128) 6.705 19.009 ( 4.126 0.000 2.128) 4.642 19.125 ( 5.827 0.000 4.134) 7.145 19.173 ( 4.594 0.000 -2.685) 5.321 19.310 ( 4.084 0.000 -3.726) 5.528 19.926 ( -3.747 0.000 1.681) 4.106 19.965 ( -4.005 0.000 0.928) 4.111 20.160 ( 1.399 0.000 1.293) 1.905 20.188 ( 5.364 0.000 1.750) 5.643 20.468 ( -1.401 0.000 0.947) 1.691 20.510 ( -5.029 0.000 -2.814) 5.763 20.899 ( -14.564 0.000 -0.031) 14.564 21.279 ( -9.789 0.000 -7.441) 12.296 21.339 ( 3.091 0.000 3.136) 4.403 21.395 ( -5.921 0.000 4.572) 7.480 21.595 ( -8.829 0.000 -4.927) 10.111 21.629 ( 3.503 0.000 2.824) 4.499 21.978 ( -12.015 0.000 6.859) 13.834 22.146 ( -2.386 0.000 0.038) 2.386 23.077 ( 4.319 0.000 2.142) 4.821 23.081 ( -0.385 0.000 -2.192) 2.226 23.145 ( 4.240 0.000 0.462) 4.265 23.162 ( 0.296 0.000 -0.929) 0.975 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 24.436 0.000 6.124) 25.191 1.376 ( 3.479 0.000 -3.855) 5.193 1.776 ( 21.318 0.000 19.387) 28.815 2.021 ( 10.438 0.000 -6.112) 12.096 2.136 ( 4.643 0.000 -4.397) 6.395 2.197 ( 0.232 0.000 -9.869) 9.872 2.447 ( 5.884 0.000 -0.870) 5.948 2.516 ( -5.940 0.000 -1.451) 6.114 2.653 ( -4.697 0.000 8.984) 10.137 2.671 ( -5.145 0.000 -0.779) 5.203 2.681 ( -4.837 0.000 1.927) 5.207 2.928 ( -9.291 0.000 2.382) 9.592 2.951 ( 8.629 0.000 -0.306) 8.635 3.063 ( -3.572 0.000 -1.086) 3.733 3.136 ( -4.423 0.000 -2.867) 5.271 3.190 ( 16.294 0.000 8.279) 18.277 3.285 ( 2.729 0.000 -2.244) 3.533 3.357 ( -10.170 0.000 -3.817) 10.863 3.421 ( 4.633 0.000 -2.609) 5.317 3.529 ( 8.102 0.000 -4.513) 9.274 3.578 ( 12.653 0.000 10.285) 16.306 3.620 ( 2.038 0.000 0.249) 2.053 3.691 ( 1.896 0.000 -3.033) 3.576 3.733 ( -0.061 0.000 -0.829) 0.831 3.762 ( 1.356 0.000 -2.980) 3.274 3.856 ( 3.239 0.000 3.548) 4.804 3.950 ( 5.147 0.000 -0.080) 5.148 3.973 ( 3.286 0.000 8.693) 9.294 4.050 ( -1.193 0.000 3.749) 3.934 4.052 ( 6.177 0.000 -2.170) 6.547 4.130 ( 1.943 0.000 0.143) 1.949 4.131 ( -4.395 0.000 -1.314) 4.587 4.339 ( 1.043 0.000 -0.564) 1.186 4.370 ( 8.528 0.000 1.809) 8.717 4.373 ( 2.051 0.000 0.399) 2.089 4.499 ( 5.252 0.000 -4.191) 6.719 4.566 ( 3.777 0.000 1.545) 4.081 4.576 ( -4.785 0.000 -0.922) 4.873 4.654 ( -1.401 0.000 -2.886) 3.208 4.672 ( 4.498 0.000 0.602) 4.538 4.780 ( -3.754 0.000 0.497) 3.787 4.870 ( 0.821 0.000 0.534) 0.979 4.930 ( 12.171 0.000 1.667) 12.284 4.941 ( 12.287 0.000 -7.253) 14.268 5.088 ( 5.204 0.000 2.089) 5.608 5.114 ( 3.698 0.000 -10.849) 11.462 5.243 ( 1.148 0.000 -1.411) 1.819 5.286 ( 4.790 0.000 -6.822) 8.335 5.451 ( -5.669 0.000 -1.437) 5.848 5.479 ( -1.729 0.000 4.881) 5.179 5.681 ( -11.824 0.000 -5.076) 12.868 5.712 ( 4.058 0.000 2.985) 5.038 5.789 ( -1.680 0.000 3.737) 4.097 5.875 ( -0.043 0.000 6.538) 6.538 5.990 ( -5.176 0.000 -13.265) 14.239 6.090 ( -1.528 0.000 1.413) 2.081 6.198 ( 2.230 0.000 8.244) 8.540 6.264 ( -9.613 0.000 -7.511) 12.200 6.366 ( 3.248 0.000 7.820) 8.467 6.429 ( -2.877 0.000 0.999) 3.046 6.462 ( -5.337 0.000 -1.938) 5.678 6.551 ( 3.855 0.000 4.852) 6.197 6.663 ( -0.543 0.000 -5.090) 5.119 6.711 ( -3.488 0.000 4.106) 5.388 6.734 ( 1.073 0.000 2.187) 2.436 6.949 ( -1.026 0.000 1.274) 1.636 6.990 ( 0.987 0.000 2.080) 2.302 7.044 ( -2.126 0.000 1.518) 2.613 7.065 ( -0.766 0.000 -3.337) 3.424 7.074 ( -3.325 0.000 0.149) 3.329 7.222 ( 1.199 0.000 -0.277) 1.230 7.246 ( -1.897 0.000 -7.268) 7.511 7.251 ( -3.216 0.000 0.492) 3.254 7.300 ( 4.483 0.000 8.430) 9.548 7.430 ( -0.760 0.000 -3.878) 3.952 7.511 ( -7.461 0.000 2.075) 7.744 7.740 ( -7.490 0.000 2.058) 7.768 7.741 ( 0.777 0.000 -1.086) 1.336 7.803 ( -11.397 0.000 -0.199) 11.398 7.849 ( -0.246 0.000 2.440) 2.452 8.078 ( -4.520 0.000 12.260) 13.066 8.197 ( -4.612 0.000 7.405) 8.724 8.304 ( -5.182 0.000 -5.716) 7.715 8.505 ( 0.871 0.000 -1.120) 1.419 8.543 ( -8.241 0.000 0.320) 8.247 8.653 ( 0.215 0.000 -4.542) 4.547 8.655 ( -2.826 0.000 -1.665) 3.280 8.917 ( 2.070 0.000 -2.485) 3.235 8.932 ( 11.541 0.000 -0.282) 11.545 8.971 ( -1.924 0.000 -5.198) 5.542 9.067 ( 1.681 0.000 0.998) 1.955 9.206 ( 3.973 0.000 5.742) 6.982 9.215 ( -4.549 0.000 -0.828) 4.624 9.337 ( -3.854 0.000 -2.952) 4.855 9.411 ( -0.072 0.000 -0.317) 0.325 9.421 ( -4.870 0.000 2.614) 5.527 9.451 ( 2.436 0.000 -1.490) 2.856 9.641 ( 3.724 0.000 -1.303) 3.945 9.680 ( -0.180 0.000 -1.207) 1.221 9.688 ( 5.329 0.000 -1.087) 5.438 9.870 ( -5.049 0.000 -3.070) 5.909 9.937 ( -4.929 0.000 -3.917) 6.296 10.083 ( 1.196 0.000 2.248) 2.546 10.096 ( -8.611 0.000 0.503) 8.626 10.101 ( 0.127 0.000 -2.995) 2.997 10.257 ( 8.964 0.000 3.169) 9.507 10.296 ( 5.356 0.000 3.533) 6.416 10.397 ( -2.056 0.000 -0.052) 2.057 10.439 ( -2.249 0.000 -2.231) 3.168 10.629 ( 0.189 0.000 -6.615) 6.617 10.716 ( 3.635 0.000 3.307) 4.914 10.773 ( 2.019 0.000 2.319) 3.075 10.838 ( -0.727 0.000 -3.528) 3.602 10.867 ( -0.278 0.000 -0.291) 0.403 10.920 ( 3.019 0.000 -0.917) 3.155 10.999 ( 2.076 0.000 0.345) 2.105 11.056 ( 3.024 0.000 3.096) 4.328 11.094 ( -6.052 0.000 2.742) 6.644 11.184 ( -0.676 0.000 2.536) 2.624 11.299 ( 0.427 0.000 -2.492) 2.529 11.383 ( -3.192 0.000 1.551) 3.549 11.461 ( 0.129 0.000 -1.402) 1.408 11.514 ( -3.012 0.000 1.504) 3.366 11.628 ( -0.344 0.000 0.858) 0.924 11.712 ( 3.705 0.000 -2.029) 4.224 11.727 ( 2.739 0.000 -8.672) 9.094 11.776 ( -0.136 0.000 -0.783) 0.795 12.033 ( 5.142 0.000 -3.457) 6.196 12.072 ( 1.458 0.000 4.995) 5.203 12.142 ( 7.053 0.000 -0.836) 7.102 12.389 ( -1.658 0.000 2.173) 2.733 12.508 ( 6.238 0.000 -4.116) 7.473 12.661 ( -0.680 0.000 8.849) 8.876 12.837 ( 0.756 0.000 3.756) 3.832 12.998 ( -1.357 0.000 -2.099) 2.499 13.212 ( -9.142 0.000 -6.568) 11.257 13.573 ( -0.454 0.000 2.138) 2.185 13.642 ( 6.514 0.000 -19.711) 20.759 13.807 ( 1.903 0.000 3.474) 3.961 14.120 ( 7.365 0.000 -8.168) 10.998 14.494 ( -0.252 0.000 0.369) 0.446 14.538 ( -2.094 0.000 0.293) 2.115 14.633 ( -1.543 0.000 9.097) 9.226 14.637 ( -2.562 0.000 2.987) 3.936 14.916 ( -7.822 0.000 6.315) 10.053 15.389 ( 5.259 0.000 -2.445) 5.799 15.493 ( 5.164 0.000 -2.205) 5.615 15.599 ( -2.417 0.000 10.045) 10.332 15.654 ( 2.300 0.000 -4.816) 5.337 15.794 ( -4.641 0.000 7.552) 8.864 15.859 ( -4.556 0.000 -5.612) 7.229 15.907 ( -0.086 0.000 3.342) 3.343 17.643 ( -0.126 0.000 1.152) 1.159 17.905 ( 6.938 0.000 -0.226) 6.942 17.914 ( 3.343 0.000 -4.679) 5.750 18.062 ( 4.762 0.000 -2.039) 5.180 18.627 ( 11.675 0.000 4.591) 12.545 18.724 ( 7.106 0.000 -3.196) 7.792 19.074 ( 1.329 0.000 2.723) 3.030 19.254 ( 4.729 0.000 2.143) 5.192 19.318 ( 11.568 0.000 -5.137) 12.658 19.354 ( 1.206 0.000 -2.912) 3.152 19.868 ( -5.491 0.000 1.075) 5.595 19.875 ( -2.592 0.000 0.494) 2.639 20.185 ( -0.258 0.000 1.538) 1.559 20.303 ( 4.283 0.000 1.098) 4.421 20.375 ( -5.958 0.000 -1.950) 6.269 20.435 ( -2.378 0.000 0.981) 2.573 20.677 ( -6.748 0.000 -1.936) 7.020 21.028 ( -8.739 0.000 -10.878) 13.953 21.256 ( -10.740 0.000 3.482) 11.290 21.365 ( -2.012 0.000 3.321) 3.883 21.451 ( -3.866 0.000 4.667) 6.061 21.697 ( 1.860 0.000 1.577) 2.438 21.792 ( -10.744 0.000 3.801) 11.396 22.055 ( -5.620 0.000 -2.341) 6.088 23.082 ( 1.507 0.000 -1.373) 2.039 23.163 ( 0.336 0.000 -0.490) 0.594 23.172 ( 3.595 0.000 1.553) 3.916 23.220 ( 2.994 0.000 -0.026) 2.994 ======================= Grid point 38 (16/54) ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 6.692 0.000 5.238) 8.498 1.793 ( 16.899 0.000 3.367) 17.231 2.134 ( -1.245 0.000 3.233) 3.465 2.205 ( 4.269 0.000 0.482) 4.296 2.263 ( 8.574 0.000 -10.722) 13.729 2.303 ( 8.757 0.000 9.024) 12.575 2.370 ( -8.359 0.000 5.901) 10.232 2.398 ( -0.486 0.000 1.603) 1.675 2.584 ( 2.417 0.000 1.383) 2.785 2.624 ( 10.011 0.000 -5.562) 11.453 2.722 ( -4.250 0.000 -1.299) 4.444 2.728 ( -22.655 0.000 -5.855) 23.399 2.804 ( -1.303 0.000 13.227) 13.291 2.901 ( -4.218 0.000 -2.089) 4.707 3.120 ( -6.069 0.000 -2.771) 6.672 3.162 ( 8.358 0.000 -0.639) 8.382 3.345 ( -0.523 0.000 -2.603) 2.655 3.375 ( 0.848 0.000 4.043) 4.131 3.512 ( 5.185 0.000 -0.453) 5.205 3.628 ( -4.575 0.000 -2.461) 5.195 3.630 ( -1.126 0.000 -1.779) 2.106 3.701 ( 9.177 0.000 -3.267) 9.741 3.733 ( -1.843 0.000 -3.588) 4.034 3.762 ( 3.305 0.000 1.148) 3.498 3.839 ( 2.451 0.000 2.645) 3.607 3.950 ( -1.914 0.000 0.076) 1.915 4.019 ( -0.294 0.000 2.380) 2.399 4.043 ( -3.401 0.000 1.813) 3.854 4.119 ( 4.422 0.000 -2.564) 5.112 4.148 ( 2.708 0.000 2.648) 3.788 4.166 ( 2.753 0.000 -2.067) 3.443 4.272 ( -4.976 0.000 -2.370) 5.511 4.350 ( 16.434 0.000 15.296) 22.451 4.414 ( 0.597 0.000 2.528) 2.598 4.441 ( -2.346 0.000 -0.684) 2.444 4.519 ( 0.021 0.000 2.695) 2.695 4.548 ( 1.025 0.000 -3.504) 3.651 4.624 ( 3.184 0.000 -0.632) 3.246 4.638 ( -8.193 0.000 -1.464) 8.323 4.670 ( -3.685 0.000 2.160) 4.272 4.777 ( 10.569 0.000 -1.446) 10.668 4.887 ( 1.117 0.000 2.333) 2.587 5.064 ( -6.822 0.000 -1.008) 6.896 5.085 ( 3.664 0.000 -12.394) 12.924 5.173 ( 11.255 0.000 -8.113) 13.875 5.174 ( -1.551 0.000 2.863) 3.256 5.270 ( -0.537 0.000 -0.203) 0.574 5.335 ( 6.158 0.000 -11.493) 13.039 5.378 ( 14.661 0.000 3.598) 15.096 5.558 ( 6.200 0.000 2.942) 6.863 5.620 ( 8.154 0.000 0.818) 8.195 5.707 ( -5.696 0.000 -7.027) 9.046 5.741 ( -3.348 0.000 4.125) 5.313 5.806 ( -6.455 0.000 2.185) 6.815 5.859 ( -8.346 0.000 0.393) 8.355 6.054 ( -1.301 0.000 2.671) 2.971 6.138 ( 0.690 0.000 -4.225) 4.281 6.218 ( -5.703 0.000 1.281) 5.845 6.333 ( -4.367 0.000 0.505) 4.396 6.347 ( -1.662 0.000 6.324) 6.539 6.536 ( 7.634 0.000 0.156) 7.636 6.581 ( -3.297 0.000 2.692) 4.257 6.688 ( 2.117 0.000 -0.378) 2.150 6.718 ( -4.068 0.000 -2.322) 4.684 6.756 ( -0.677 0.000 9.934) 9.957 6.891 ( -2.631 0.000 -7.884) 8.312 6.947 ( -2.507 0.000 0.537) 2.564 6.993 ( 2.665 0.000 -7.263) 7.737 7.039 ( -0.075 0.000 -1.492) 1.493 7.041 ( -1.664 0.000 6.481) 6.691 7.208 ( -0.701 0.000 -4.608) 4.661 7.211 ( -1.628 0.000 1.177) 2.009 7.298 ( 3.068 0.000 4.752) 5.657 7.371 ( -2.860 0.000 1.969) 3.472 7.393 ( -5.173 0.000 0.679) 5.218 7.469 ( 1.778 0.000 9.609) 9.772 7.549 ( -5.052 0.000 -2.108) 5.474 7.604 ( -5.135 0.000 -4.581) 6.881 7.778 ( 3.938 0.000 -5.509) 6.772 7.827 ( -4.082 0.000 4.883) 6.365 8.056 ( -8.961 0.000 -2.895) 9.417 8.117 ( 0.586 0.000 10.050) 10.067 8.197 ( -1.242 0.000 -2.731) 3.000 8.461 ( -1.459 0.000 3.007) 3.342 8.517 ( -0.361 0.000 -2.081) 2.112 8.579 ( -2.281 0.000 -0.195) 2.289 8.686 ( 4.659 0.000 -0.790) 4.726 8.908 ( -2.563 0.000 0.206) 2.572 8.967 ( 3.567 0.000 -0.830) 3.663 9.105 ( -1.270 0.000 1.388) 1.882 9.140 ( 2.406 0.000 -0.965) 2.592 9.142 ( 5.129 0.000 -5.816) 7.754 9.210 ( -2.648 0.000 -1.538) 3.062 9.318 ( 1.301 0.000 6.745) 6.870 9.386 ( 0.146 0.000 3.261) 3.264 9.417 ( 0.305 0.000 2.780) 2.796 9.501 ( 5.218 0.000 -5.094) 7.292 9.656 ( -2.311 0.000 -0.246) 2.324 9.698 ( -2.259 0.000 -4.400) 4.946 9.775 ( 2.432 0.000 -0.814) 2.564 9.785 ( -0.998 0.000 -2.784) 2.957 9.819 ( 0.123 0.000 -0.504) 0.518 9.940 ( -6.202 0.000 0.403) 6.215 10.066 ( -1.437 0.000 0.009) 1.437 10.144 ( 2.393 0.000 1.598) 2.878 10.295 ( -3.366 0.000 -3.207) 4.649 10.358 ( 0.858 0.000 -1.630) 1.843 10.458 ( 5.120 0.000 4.899) 7.087 10.532 ( 6.391 0.000 0.669) 6.426 10.582 ( 0.212 0.000 -2.649) 2.657 10.709 ( -4.803 0.000 -3.762) 6.101 10.718 ( -2.211 0.000 1.318) 2.574 10.845 ( 0.925 0.000 -1.373) 1.655 10.883 ( -3.867 0.000 -4.686) 6.076 10.976 ( 2.368 0.000 1.329) 2.715 10.976 ( 3.508 0.000 2.465) 4.287 11.130 ( 1.367 0.000 4.824) 5.014 11.132 ( 1.994 0.000 9.034) 9.251 11.185 ( -1.610 0.000 1.292) 2.064 11.272 ( -0.618 0.000 -4.030) 4.077 11.354 ( 0.061 0.000 1.837) 1.838 11.449 ( -0.075 0.000 -0.152) 0.169 11.475 ( -2.358 0.000 3.823) 4.492 11.598 ( -3.445 0.000 3.276) 4.754 11.731 ( 1.030 0.000 -3.576) 3.721 11.733 ( 3.311 0.000 -8.641) 9.254 11.797 ( 1.447 0.000 0.810) 1.658 12.104 ( -1.452 0.000 5.405) 5.597 12.119 ( 5.962 0.000 -4.171) 7.277 12.247 ( 5.751 0.000 -7.684) 9.598 12.354 ( -3.841 0.000 3.913) 5.484 12.582 ( 2.901 0.000 -3.434) 4.495 12.618 ( -8.317 0.000 4.297) 9.362 12.870 ( -0.306 0.000 4.598) 4.608 12.965 ( -0.285 0.000 -2.613) 2.629 13.126 ( 3.104 0.000 3.122) 4.403 13.553 ( -2.375 0.000 -0.947) 2.557 13.655 ( 7.178 0.000 -18.684) 20.015 13.859 ( 0.559 0.000 5.371) 5.400 14.199 ( 4.936 0.000 -4.449) 6.646 14.500 ( -1.318 0.000 -1.443) 1.954 14.504 ( 0.614 0.000 1.612) 1.725 14.596 ( -2.928 0.000 2.060) 3.580 14.655 ( 0.258 0.000 1.005) 1.037 14.827 ( -6.999 0.000 12.191) 14.057 15.460 ( 3.109 0.000 -1.925) 3.657 15.533 ( 1.798 0.000 -4.396) 4.749 15.588 ( -4.159 0.000 5.916) 7.232 15.694 ( 3.369 0.000 -3.986) 5.219 15.750 ( -2.713 0.000 -3.064) 4.093 15.769 ( -2.723 0.000 5.825) 6.430 15.930 ( 0.648 0.000 0.586) 0.874 17.659 ( 0.181 0.000 3.795) 3.799 17.942 ( 2.363 0.000 -2.094) 3.157 18.020 ( 3.813 0.000 0.072) 3.814 18.108 ( 1.357 0.000 -2.267) 2.642 18.844 ( 6.029 0.000 6.348) 8.755 18.886 ( 9.278 0.000 0.832) 9.315 19.102 ( -0.490 0.000 2.428) 2.477 19.286 ( -5.101 0.000 -1.705) 5.378 19.311 ( 0.287 0.000 -0.856) 0.903 19.494 ( 8.947 0.000 -8.471) 12.321 19.819 ( -0.591 0.000 2.041) 2.125 19.833 ( -1.730 0.000 1.635) 2.380 20.149 ( -3.476 0.000 -1.082) 3.641 20.268 ( -2.495 0.000 -2.564) 3.577 20.353 ( 0.107 0.000 -0.158) 0.191 20.401 ( -1.475 0.000 1.470) 2.082 20.609 ( 0.033 0.000 -2.307) 2.307 20.828 ( -4.546 0.000 -13.541) 14.283 21.121 ( -2.599 0.000 4.975) 5.613 21.324 ( -3.174 0.000 1.498) 3.510 21.468 ( -0.837 0.000 9.195) 9.233 21.628 ( -6.447 0.000 1.917) 6.726 21.720 ( 0.010 0.000 -0.692) 0.692 21.940 ( -2.713 0.000 -3.912) 4.761 23.112 ( 1.679 0.000 0.357) 1.717 23.173 ( 0.635 0.000 0.509) 0.814 23.218 ( 0.410 0.000 0.005) 0.410 23.256 ( 0.852 0.000 -0.654) 1.074 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 1.485 0.000 9.428) 9.544 1.869 ( -26.260 0.000 2.925) 26.423 1.941 ( -29.350 0.000 -1.455) 29.386 2.076 ( 8.982 0.000 3.847) 9.771 2.145 ( 0.042 0.000 -3.029) 3.029 2.330 ( 2.902 0.000 6.165) 6.814 2.354 ( -1.523 0.000 -10.551) 10.660 2.515 ( -3.057 0.000 -1.195) 3.282 2.555 ( 3.103 0.000 1.851) 3.613 2.678 ( -0.835 0.000 3.461) 3.560 2.741 ( 5.501 0.000 3.763) 6.665 2.888 ( 8.432 0.000 -0.601) 8.454 2.889 ( 2.993 0.000 7.078) 7.685 3.014 ( 19.217 0.000 8.333) 20.946 3.127 ( 7.014 0.000 -4.102) 8.125 3.283 ( 2.731 0.000 1.814) 3.278 3.341 ( -4.092 0.000 3.989) 5.714 3.347 ( 1.034 0.000 -3.715) 3.856 3.505 ( -0.265 0.000 -9.116) 9.119 3.532 ( -4.346 0.000 -8.274) 9.346 3.584 ( -4.254 0.000 4.378) 6.105 3.667 ( -1.819 0.000 -4.404) 4.765 3.723 ( -22.317 0.000 0.510) 22.323 3.790 ( 0.756 0.000 -1.526) 1.703 3.809 ( -5.342 0.000 -2.105) 5.741 3.857 ( -0.361 0.000 -1.410) 1.455 3.969 ( -0.451 0.000 10.364) 10.373 4.006 ( -1.112 0.000 2.688) 2.909 4.086 ( -7.652 0.000 4.940) 9.108 4.120 ( -5.531 0.000 0.163) 5.533 4.198 ( 2.235 0.000 -6.759) 7.119 4.251 ( 3.731 0.000 0.942) 3.848 4.265 ( -3.183 0.000 4.892) 5.837 4.393 ( 1.035 0.000 -0.943) 1.400 4.394 ( -1.706 0.000 -0.278) 1.729 4.461 ( -7.784 0.000 -1.653) 7.957 4.510 ( -0.217 0.000 -1.542) 1.557 4.633 ( 1.939 0.000 0.542) 2.013 4.646 ( -0.962 0.000 -2.957) 3.110 4.752 ( -0.858 0.000 -2.326) 2.479 4.846 ( -0.922 0.000 -10.998) 11.037 4.920 ( -0.762 0.000 2.889) 2.988 5.060 ( -3.226 0.000 -2.085) 3.841 5.115 ( -2.909 0.000 -2.898) 4.106 5.118 ( -1.128 0.000 -5.809) 5.917 5.212 ( 0.444 0.000 9.711) 9.722 5.323 ( 4.145 0.000 8.049) 9.053 5.380 ( 4.398 0.000 -13.081) 13.800 5.524 ( 1.231 0.000 5.582) 5.716 5.541 ( -15.997 0.000 3.495) 16.375 5.632 ( -7.249 0.000 -1.328) 7.370 5.691 ( -0.818 0.000 1.153) 1.414 5.726 ( 4.802 0.000 4.627) 6.669 5.761 ( 10.365 0.000 -7.180) 12.609 6.008 ( 18.250 0.000 7.642) 19.786 6.019 ( -2.433 0.000 -7.690) 8.066 6.199 ( 5.307 0.000 -1.539) 5.526 6.219 ( 4.694 0.000 7.377) 8.744 6.296 ( 2.333 0.000 3.639) 4.322 6.425 ( 1.653 0.000 3.052) 3.471 6.536 ( -1.208 0.000 7.696) 7.790 6.549 ( -7.398 0.000 -3.143) 8.037 6.649 ( 1.513 0.000 0.039) 1.514 6.651 ( -10.447 0.000 2.051) 10.647 6.728 ( 4.527 0.000 -1.056) 4.649 6.807 ( -2.527 0.000 -8.225) 8.604 6.930 ( -0.760 0.000 1.473) 1.658 6.965 ( -1.349 0.000 -6.682) 6.817 7.009 ( -3.825 0.000 -2.901) 4.800 7.048 ( -3.452 0.000 3.148) 4.672 7.181 ( 5.448 0.000 -4.124) 6.833 7.203 ( 1.817 0.000 0.235) 1.832 7.362 ( 2.521 0.000 -0.502) 2.571 7.383 ( 6.514 0.000 -3.044) 7.190 7.405 ( 1.812 0.000 4.217) 4.590 7.489 ( 3.760 0.000 -3.020) 4.822 7.526 ( 0.721 0.000 4.090) 4.153 7.655 ( 1.316 0.000 9.174) 9.268 7.733 ( -3.962 0.000 -6.207) 7.364 7.839 ( 4.051 0.000 7.032) 8.115 7.905 ( -4.584 0.000 -3.835) 5.977 8.181 ( -2.802 0.000 11.735) 12.065 8.258 ( 8.246 0.000 -4.137) 9.226 8.456 ( -2.514 0.000 -5.726) 6.254 8.496 ( 2.685 0.000 3.393) 4.326 8.581 ( 2.232 0.000 0.732) 2.349 8.805 ( 4.578 0.000 2.745) 5.338 8.889 ( 2.590 0.000 0.642) 2.668 9.015 ( -0.140 0.000 -1.353) 1.360 9.067 ( -0.706 0.000 1.446) 1.610 9.082 ( -2.605 0.000 -2.401) 3.543 9.162 ( -0.822 0.000 -5.412) 5.474 9.238 ( 0.587 0.000 3.764) 3.809 9.399 ( 2.143 0.000 2.341) 3.173 9.438 ( -1.378 0.000 1.973) 2.406 9.455 ( 3.148 0.000 7.670) 8.291 9.520 ( -4.334 0.000 -6.914) 8.160 9.584 ( 5.586 0.000 -7.688) 9.503 9.590 ( -2.161 0.000 -1.056) 2.405 9.743 ( -3.739 0.000 -0.677) 3.800 9.815 ( 1.409 0.000 -0.536) 1.507 9.826 ( 0.823 0.000 -1.402) 1.625 9.942 ( 2.357 0.000 1.713) 2.914 10.047 ( -0.310 0.000 -2.931) 2.948 10.193 ( 0.710 0.000 4.226) 4.285 10.243 ( 1.644 0.000 -2.628) 3.100 10.374 ( 0.846 0.000 -0.144) 0.858 10.488 ( -2.606 0.000 -3.152) 4.089 10.517 ( -2.918 0.000 6.983) 7.568 10.602 ( -1.487 0.000 -4.483) 4.723 10.652 ( 1.393 0.000 -2.260) 2.655 10.763 ( 2.890 0.000 3.768) 4.748 10.784 ( -1.399 0.000 -4.281) 4.503 10.833 ( 0.093 0.000 -3.868) 3.869 11.001 ( -1.421 0.000 1.474) 2.048 11.017 ( -1.899 0.000 1.397) 2.358 11.136 ( -0.585 0.000 -0.475) 0.753 11.184 ( -1.671 0.000 6.852) 7.053 11.210 ( 1.308 0.000 5.912) 6.055 11.298 ( 4.445 0.000 1.437) 4.671 11.380 ( 0.557 0.000 3.054) 3.104 11.449 ( -1.238 0.000 0.914) 1.539 11.485 ( 0.933 0.000 2.240) 2.427 11.562 ( -1.151 0.000 2.045) 2.347 11.720 ( -0.612 0.000 -1.455) 1.578 11.751 ( 4.066 0.000 -7.495) 8.527 11.826 ( 0.812 0.000 0.689) 1.066 12.056 ( -5.246 0.000 -3.147) 6.117 12.213 ( 6.091 0.000 -3.167) 6.866 12.261 ( 2.158 0.000 -11.463) 11.664 12.292 ( -5.526 0.000 5.483) 7.785 12.457 ( -7.188 0.000 6.727) 9.845 12.627 ( 2.083 0.000 -1.341) 2.477 12.877 ( -2.402 0.000 5.916) 6.385 12.966 ( 2.839 0.000 -4.062) 4.956 13.295 ( 8.196 0.000 7.791) 11.308 13.473 ( -3.504 0.000 -4.737) 5.892 13.680 ( 7.077 0.000 -18.055) 19.392 13.885 ( -2.091 0.000 6.081) 6.430 14.259 ( 3.048 0.000 -0.627) 3.111 14.474 ( 0.112 0.000 -2.392) 2.394 14.530 ( -0.062 0.000 2.190) 2.191 14.562 ( -1.245 0.000 0.496) 1.340 14.635 ( 0.838 0.000 -10.340) 10.374 14.820 ( -4.282 0.000 21.496) 21.918 15.467 ( -3.253 0.000 0.622) 3.312 15.520 ( -0.898 0.000 -4.097) 4.195 15.522 ( -3.596 0.000 1.810) 4.026 15.665 ( 0.395 0.000 -7.404) 7.415 15.756 ( -2.286 0.000 5.952) 6.376 15.768 ( 2.385 0.000 0.421) 2.422 15.942 ( 0.814 0.000 0.109) 0.821 17.695 ( 0.578 0.000 4.905) 4.939 17.989 ( 3.566 0.000 -1.593) 3.906 18.033 ( -2.752 0.000 0.575) 2.811 18.086 ( -1.974 0.000 -2.287) 3.021 18.899 ( -6.344 0.000 7.153) 9.561 18.970 ( -4.251 0.000 5.268) 6.770 19.095 ( 0.154 0.000 2.591) 2.595 19.249 ( -4.765 0.000 -4.222) 6.366 19.292 ( 7.648 0.000 -1.730) 7.841 19.535 ( 3.244 0.000 -10.919) 11.391 19.821 ( -3.673 0.000 5.834) 6.894 19.823 ( -0.685 0.000 2.059) 2.169 20.078 ( -0.978 0.000 -4.258) 4.369 20.241 ( 1.280 0.000 -4.624) 4.798 20.358 ( 1.244 0.000 1.602) 2.028 20.403 ( 0.406 0.000 1.442) 1.498 20.603 ( 0.923 0.000 -2.086) 2.281 20.660 ( -3.655 0.000 -14.026) 14.495 21.243 ( 10.051 0.000 5.022) 11.236 21.288 ( -0.287 0.000 -0.678) 0.737 21.460 ( -4.380 0.000 10.643) 11.509 21.642 ( 5.136 0.000 1.325) 5.304 21.680 ( -2.681 0.000 -2.546) 3.697 21.938 ( 4.481 0.000 -3.616) 5.758 23.144 ( 0.721 0.000 1.830) 1.967 23.188 ( 0.244 0.000 1.152) 1.177 23.189 ( -2.787 0.000 -1.436) 3.135 23.244 ( -1.369 0.000 -1.200) 1.820 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -32.723 0.000 3.227) 32.881 1.304 ( -31.947 0.000 0.937) 31.961 1.738 ( 2.979 0.000 4.616) 5.494 2.078 ( -5.578 0.000 0.744) 5.628 2.228 ( 1.439 0.000 1.606) 2.156 2.252 ( 1.053 0.000 -12.556) 12.600 2.346 ( -25.227 0.000 5.689) 25.860 2.438 ( -23.017 0.000 -0.256) 23.019 2.459 ( 4.551 0.000 -2.392) 5.142 2.664 ( 7.592 0.000 4.625) 8.890 2.703 ( -3.132 0.000 1.791) 3.608 2.935 ( 1.533 0.000 2.179) 2.664 3.031 ( -7.863 0.000 5.824) 9.785 3.115 ( 5.014 0.000 0.498) 5.039 3.185 ( -1.742 0.000 3.793) 4.174 3.297 ( -5.643 0.000 1.441) 5.824 3.327 ( 1.975 0.000 6.578) 6.868 3.399 ( 0.399 0.000 -13.421) 13.427 3.424 ( -3.287 0.000 -7.133) 7.854 3.478 ( 9.230 0.000 0.284) 9.235 3.484 ( -3.136 0.000 1.682) 3.558 3.652 ( 4.804 0.000 -1.516) 5.038 3.680 ( 10.403 0.000 -3.916) 11.116 3.721 ( -1.088 0.000 -0.207) 1.107 3.748 ( -1.004 0.000 -2.393) 2.595 3.879 ( -0.003 0.000 0.879) 0.879 3.958 ( -10.055 0.000 -0.612) 10.074 3.999 ( -4.204 0.000 5.052) 6.572 4.048 ( -0.479 0.000 2.985) 3.024 4.089 ( 4.150 0.000 7.867) 8.894 4.173 ( -1.221 0.000 -0.679) 1.397 4.219 ( -2.099 0.000 1.140) 2.388 4.250 ( -10.845 0.000 -0.049) 10.845 4.287 ( 1.873 0.000 -2.255) 2.931 4.397 ( -0.014 0.000 5.114) 5.114 4.483 ( 1.438 0.000 0.935) 1.715 4.505 ( -5.775 0.000 -5.914) 8.266 4.562 ( -3.053 0.000 -0.403) 3.080 4.647 ( 5.530 0.000 -0.867) 5.598 4.677 ( -3.908 0.000 -13.687) 14.233 4.716 ( -2.473 0.000 1.514) 2.899 4.814 ( -10.937 0.000 3.611) 11.518 4.857 ( -7.702 0.000 -1.117) 7.783 5.004 ( -3.102 0.000 -2.274) 3.846 5.094 ( 1.251 0.000 -4.368) 4.544 5.225 ( -9.890 0.000 -7.015) 12.125 5.274 ( -9.146 0.000 4.378) 10.140 5.363 ( -2.206 0.000 -2.725) 3.506 5.446 ( 7.081 0.000 7.107) 10.033 5.472 ( -7.905 0.000 5.547) 9.657 5.639 ( 9.039 0.000 -3.576) 9.721 5.747 ( 4.216 0.000 -0.130) 4.218 5.778 ( -2.714 0.000 -6.261) 6.824 5.975 ( 8.394 0.000 14.869) 17.075 5.990 ( 0.741 0.000 -1.514) 1.685 6.056 ( -5.588 0.000 -5.256) 7.672 6.280 ( -3.446 0.000 3.564) 4.958 6.334 ( 7.125 0.000 7.545) 10.378 6.398 ( 0.459 0.000 -4.234) 4.259 6.430 ( -4.222 0.000 -6.334) 7.612 6.516 ( 5.077 0.000 2.452) 5.638 6.579 ( 2.644 0.000 -0.812) 2.766 6.629 ( 3.060 0.000 -5.024) 5.883 6.686 ( 9.267 0.000 6.838) 11.517 6.745 ( -0.392 0.000 0.713) 0.814 6.777 ( -4.039 0.000 0.063) 4.039 6.833 ( -6.568 0.000 -1.307) 6.696 6.929 ( 1.287 0.000 1.798) 2.211 7.022 ( 8.436 0.000 1.232) 8.525 7.052 ( 1.358 0.000 1.094) 1.744 7.282 ( 5.640 0.000 -2.593) 6.207 7.289 ( 4.725 0.000 -3.049) 5.624 7.395 ( 3.470 0.000 -2.079) 4.045 7.484 ( 6.562 0.000 -6.181) 9.015 7.491 ( 0.445 0.000 0.366) 0.577 7.529 ( 3.985 0.000 3.052) 5.019 7.598 ( 3.835 0.000 1.081) 3.984 7.708 ( 5.687 0.000 -0.017) 5.687 7.715 ( -1.390 0.000 12.937) 13.011 7.807 ( -3.315 0.000 -2.781) 4.327 8.015 ( 3.601 0.000 6.476) 7.410 8.176 ( -1.223 0.000 14.192) 14.244 8.217 ( -9.005 0.000 -11.854) 14.886 8.471 ( 6.283 0.000 -4.924) 7.982 8.578 ( 3.490 0.000 0.756) 3.571 8.666 ( 5.118 0.000 0.943) 5.204 8.846 ( 0.001 0.000 4.718) 4.718 8.929 ( -4.620 0.000 0.055) 4.620 9.001 ( 0.745 0.000 -0.856) 1.135 9.065 ( -3.089 0.000 -3.837) 4.926 9.082 ( 7.258 0.000 -1.197) 7.356 9.122 ( 3.166 0.000 -1.572) 3.535 9.249 ( -2.328 0.000 2.553) 3.455 9.381 ( -3.015 0.000 3.724) 4.791 9.384 ( -0.649 0.000 -6.939) 6.969 9.455 ( -2.314 0.000 -0.422) 2.352 9.510 ( 0.310 0.000 4.172) 4.183 9.617 ( -0.105 0.000 -1.339) 1.343 9.708 ( 1.633 0.000 -1.331) 2.106 9.718 ( 11.806 0.000 0.769) 11.831 9.827 ( 0.515 0.000 -2.405) 2.460 9.830 ( 0.120 0.000 -3.534) 3.536 9.926 ( -2.297 0.000 -1.233) 2.607 9.993 ( -2.032 0.000 -4.967) 5.366 10.221 ( -0.700 0.000 3.522) 3.591 10.334 ( 5.743 0.000 2.479) 6.255 10.363 ( -2.778 0.000 3.202) 4.239 10.459 ( 1.822 0.000 -4.121) 4.505 10.536 ( -1.302 0.000 8.474) 8.573 10.548 ( 0.716 0.000 -5.211) 5.260 10.666 ( 2.505 0.000 -0.929) 2.672 10.718 ( -1.457 0.000 -3.054) 3.384 10.813 ( -0.342 0.000 -3.173) 3.191 10.831 ( 0.506 0.000 -0.623) 0.802 10.955 ( -2.577 0.000 -0.473) 2.620 10.978 ( -1.798 0.000 2.001) 2.690 11.105 ( -3.716 0.000 2.363) 4.404 11.199 ( 0.044 0.000 2.145) 2.145 11.259 ( 0.733 0.000 1.565) 1.728 11.398 ( 1.836 0.000 5.588) 5.882 11.409 ( -1.963 0.000 1.766) 2.641 11.427 ( 1.222 0.000 5.842) 5.968 11.493 ( -0.643 0.000 -2.775) 2.848 11.578 ( 2.211 0.000 -1.468) 2.654 11.696 ( -1.148 0.000 0.483) 1.246 11.799 ( 4.356 0.000 -6.612) 7.918 11.834 ( -0.863 0.000 2.261) 2.420 11.882 ( -6.587 0.000 -7.907) 10.292 12.189 ( -8.188 0.000 5.237) 9.720 12.215 ( 0.672 0.000 -12.073) 12.091 12.321 ( 5.550 0.000 -1.552) 5.763 12.420 ( -1.985 0.000 5.180) 5.548 12.649 ( 0.099 0.000 0.573) 0.582 12.859 ( -2.994 0.000 5.450) 6.218 13.025 ( 4.924 0.000 -2.379) 5.469 13.386 ( -0.624 0.000 -7.269) 7.296 13.484 ( 5.953 0.000 5.363) 8.012 13.694 ( 6.108 0.000 -18.810) 19.777 13.845 ( -5.348 0.000 4.594) 7.050 14.322 ( 3.089 0.000 2.918) 4.249 14.450 ( -5.579 0.000 -11.627) 12.896 14.485 ( 2.244 0.000 -0.931) 2.429 14.552 ( 0.396 0.000 -1.086) 1.156 14.621 ( 0.780 0.000 0.583) 0.974 14.920 ( 0.615 0.000 20.046) 20.056 15.347 ( -8.641 0.000 4.020) 9.531 15.436 ( -4.649 0.000 -3.412) 5.767 15.489 ( -1.813 0.000 1.689) 2.478 15.648 ( 2.543 0.000 -9.397) 9.735 15.772 ( -0.009 0.000 8.847) 8.847 15.817 ( 1.824 0.000 3.483) 3.931 15.977 ( 2.942 0.000 -0.837) 3.058 17.739 ( 0.658 0.000 4.552) 4.599 17.935 ( -7.126 0.000 1.002) 7.196 17.976 ( -4.090 0.000 -4.775) 6.288 18.085 ( 4.403 0.000 -1.708) 4.723 18.731 ( -11.332 0.000 2.474) 11.599 18.907 ( -4.317 0.000 6.352) 7.680 19.083 ( -7.809 0.000 -6.926) 10.438 19.156 ( 1.825 0.000 6.128) 6.394 19.379 ( 0.222 0.000 -2.417) 2.427 19.510 ( 0.181 0.000 -14.477) 14.478 19.768 ( -4.386 0.000 14.548) 15.195 19.860 ( 4.031 0.000 0.506) 4.063 20.061 ( 1.156 0.000 -2.448) 2.707 20.205 ( -2.670 0.000 -2.549) 3.692 20.423 ( 0.571 0.000 0.797) 0.980 20.454 ( 6.221 0.000 1.685) 6.445 20.489 ( -4.934 0.000 -15.050) 15.838 20.668 ( 8.125 0.000 -0.386) 8.134 21.304 ( 1.962 0.000 -0.435) 2.010 21.441 ( 4.093 0.000 3.612) 5.459 21.572 ( 10.303 0.000 11.725) 15.609 21.603 ( -3.213 0.000 -3.048) 4.429 21.760 ( 5.539 0.000 -0.206) 5.543 22.027 ( 5.842 0.000 -2.878) 6.513 23.103 ( -4.459 0.000 -1.775) 4.800 23.156 ( -0.835 0.000 2.134) 2.292 23.194 ( -0.344 0.000 0.758) 0.833 23.198 ( -2.171 0.000 -1.192) 2.477 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -29.794 0.000 7.936) 30.833 0.739 ( -27.382 0.000 16.876) 32.165 1.431 ( -52.584 0.000 28.803) 59.956 1.829 ( 4.790 0.000 -2.656) 5.477 2.036 ( -3.751 0.000 -2.560) 4.542 2.200 ( 1.657 0.000 -16.941) 17.022 2.230 ( 0.753 0.000 1.028) 1.275 2.342 ( -1.019 0.000 8.175) 8.238 2.464 ( -0.402 0.000 -2.274) 2.309 2.725 ( 3.870 0.000 -4.391) 5.853 2.850 ( -6.713 0.000 3.535) 7.587 2.852 ( -8.657 0.000 0.150) 8.658 2.916 ( 9.450 0.000 9.594) 13.467 3.108 ( -4.474 0.000 -4.232) 6.159 3.153 ( -7.169 0.000 -5.711) 9.166 3.247 ( 5.447 0.000 -0.882) 5.518 3.285 ( -5.504 0.000 -1.427) 5.686 3.343 ( -4.070 0.000 6.788) 7.915 3.410 ( 1.538 0.000 -0.260) 1.560 3.469 ( -0.701 0.000 -1.123) 1.324 3.562 ( 2.934 0.000 -4.868) 5.684 3.716 ( -6.625 0.000 -1.373) 6.766 3.726 ( 9.441 0.000 4.285) 10.368 3.740 ( -1.497 0.000 -5.372) 5.577 3.779 ( -2.694 0.000 1.985) 3.346 3.835 ( -5.464 0.000 -0.390) 5.478 3.850 ( 6.834 0.000 -8.878) 11.204 3.918 ( -10.054 0.000 -1.607) 10.182 3.944 ( -1.618 0.000 0.578) 1.718 4.106 ( 0.883 0.000 -5.126) 5.202 4.210 ( -0.996 0.000 5.617) 5.705 4.236 ( -1.913 0.000 0.750) 2.055 4.272 ( 3.126 0.000 -0.263) 3.137 4.289 ( 0.930 0.000 5.091) 5.175 4.332 ( -9.376 0.000 0.076) 9.377 4.358 ( 4.914 0.000 0.383) 4.929 4.426 ( -0.462 0.000 5.573) 5.592 4.545 ( -9.581 0.000 -3.881) 10.337 4.547 ( -8.551 0.000 -0.820) 8.590 4.612 ( 8.065 0.000 -6.446) 10.325 4.774 ( 4.836 0.000 3.735) 6.110 4.788 ( 3.664 0.000 1.158) 3.843 4.884 ( 6.229 0.000 0.755) 6.274 4.938 ( -1.440 0.000 0.680) 1.592 5.010 ( -6.021 0.000 -7.110) 9.317 5.151 ( 5.189 0.000 0.568) 5.220 5.190 ( -4.263 0.000 5.293) 6.796 5.225 ( -5.375 0.000 -8.035) 9.668 5.361 ( -8.757 0.000 10.175) 13.424 5.502 ( -3.979 0.000 2.973) 4.967 5.707 ( 4.184 0.000 -10.184) 11.010 5.786 ( 1.766 0.000 -6.501) 6.736 5.867 ( 1.829 0.000 2.963) 3.482 5.916 ( -3.536 0.000 1.941) 4.034 6.006 ( 9.739 0.000 1.808) 9.905 6.219 ( 3.784 0.000 12.774) 13.322 6.252 ( -5.342 0.000 -0.435) 5.359 6.270 ( -2.459 0.000 -5.017) 5.587 6.369 ( 1.708 0.000 -5.187) 5.460 6.488 ( 2.041 0.000 -3.398) 3.964 6.551 ( 1.302 0.000 3.271) 3.521 6.568 ( -3.932 0.000 2.518) 4.669 6.634 ( -0.858 0.000 0.323) 0.917 6.692 ( -0.630 0.000 4.491) 4.535 6.721 ( -2.794 0.000 4.750) 5.511 6.814 ( 6.427 0.000 -3.648) 7.390 6.940 ( 7.407 0.000 -0.481) 7.422 7.040 ( 4.540 0.000 4.049) 6.083 7.092 ( 1.802 0.000 -0.349) 1.836 7.162 ( 5.169 0.000 1.847) 5.490 7.321 ( 1.626 0.000 -2.116) 2.669 7.372 ( 6.272 0.000 -8.333) 10.430 7.411 ( -2.375 0.000 -3.734) 4.426 7.447 ( 0.848 0.000 4.020) 4.109 7.580 ( 4.440 0.000 -3.586) 5.707 7.615 ( 0.220 0.000 -0.366) 0.427 7.707 ( 0.145 0.000 3.676) 3.679 7.742 ( -4.272 0.000 11.395) 12.169 7.764 ( 0.860 0.000 3.697) 3.796 7.863 ( -5.066 0.000 -4.254) 6.616 7.963 ( 9.237 0.000 -3.601) 9.914 8.023 ( -3.523 0.000 10.992) 11.542 8.331 ( 3.031 0.000 9.749) 10.209 8.513 ( -0.796 0.000 -3.828) 3.910 8.658 ( 6.053 0.000 -0.835) 6.110 8.664 ( -7.380 0.000 -5.369) 9.126 8.832 ( -3.143 0.000 -1.257) 3.385 8.908 ( 1.968 0.000 -3.049) 3.629 9.007 ( 4.987 0.000 -4.678) 6.837 9.021 ( 2.296 0.000 2.071) 3.092 9.161 ( -2.689 0.000 3.438) 4.365 9.204 ( 0.055 0.000 -3.410) 3.410 9.255 ( 8.019 0.000 2.936) 8.539 9.299 ( -4.012 0.000 -5.143) 6.523 9.384 ( -1.119 0.000 3.407) 3.586 9.438 ( 1.037 0.000 0.146) 1.048 9.564 ( 3.866 0.000 1.593) 4.181 9.609 ( 0.560 0.000 3.333) 3.380 9.690 ( -4.708 0.000 1.649) 4.988 9.758 ( -2.888 0.000 -1.606) 3.305 9.797 ( 3.651 0.000 -4.110) 5.497 9.922 ( 1.495 0.000 -2.236) 2.690 9.927 ( 1.415 0.000 -1.598) 2.134 10.007 ( 8.462 0.000 -1.027) 8.524 10.202 ( -0.971 0.000 -1.150) 1.505 10.325 ( -2.652 0.000 3.036) 4.031 10.416 ( 1.820 0.000 -6.400) 6.654 10.471 ( 2.216 0.000 -3.522) 4.161 10.523 ( -3.777 0.000 7.706) 8.582 10.588 ( 4.813 0.000 -3.991) 6.253 10.705 ( 0.819 0.000 2.527) 2.657 10.723 ( -0.073 0.000 -5.558) 5.558 10.767 ( -4.869 0.000 -2.838) 5.636 10.792 ( -0.794 0.000 4.332) 4.404 10.957 ( 5.154 0.000 1.381) 5.336 10.991 ( 1.635 0.000 -0.456) 1.697 11.040 ( -3.716 0.000 0.419) 3.740 11.152 ( -5.545 0.000 -2.353) 6.023 11.224 ( -4.234 0.000 0.075) 4.235 11.402 ( -0.078 0.000 -1.875) 1.876 11.450 ( -0.938 0.000 -1.124) 1.464 11.460 ( 0.795 0.000 5.096) 5.158 11.483 ( 0.393 0.000 4.209) 4.227 11.597 ( -5.226 0.000 -10.353) 11.597 11.647 ( -6.265 0.000 -9.677) 11.527 11.691 ( 0.566 0.000 -0.300) 0.640 11.827 ( -2.438 0.000 5.914) 6.397 11.883 ( 4.504 0.000 -2.694) 5.248 12.042 ( -8.655 0.000 2.710) 9.069 12.067 ( -7.808 0.000 -21.264) 22.652 12.395 ( 2.998 0.000 -2.421) 3.854 12.407 ( -1.740 0.000 1.043) 2.028 12.609 ( -4.989 0.000 0.760) 5.046 12.831 ( -2.939 0.000 4.202) 5.128 13.093 ( 2.301 0.000 -1.847) 2.951 13.394 ( 6.048 0.000 -5.428) 8.127 13.568 ( 0.668 0.000 1.056) 1.250 13.680 ( 4.864 0.000 -18.354) 18.987 13.754 ( -5.892 0.000 3.558) 6.883 14.173 ( -11.980 0.000 -17.764) 21.426 14.432 ( 3.773 0.000 7.749) 8.618 14.538 ( 2.418 0.000 0.929) 2.590 14.566 ( 1.865 0.000 -0.555) 1.946 14.627 ( -2.475 0.000 5.415) 5.953 15.056 ( 1.311 0.000 8.833) 8.930 15.249 ( -3.279 0.000 8.665) 9.264 15.330 ( -3.521 0.000 -2.435) 4.281 15.483 ( -0.761 0.000 6.401) 6.446 15.634 ( 2.260 0.000 -9.001) 9.280 15.880 ( 1.201 0.000 5.083) 5.223 15.946 ( 12.962 0.000 17.380) 21.682 16.032 ( 3.342 0.000 -2.490) 4.167 17.759 ( -3.237 0.000 3.783) 4.979 17.807 ( -3.780 0.000 -0.517) 3.815 17.869 ( -2.949 0.000 -3.095) 4.275 18.111 ( -1.525 0.000 -17.343) 17.410 18.503 ( -13.678 0.000 -5.269) 14.658 18.848 ( -6.561 0.000 -3.669) 7.517 18.936 ( -0.966 0.000 1.669) 1.928 19.186 ( -6.289 0.000 -4.813) 7.919 19.203 ( -13.844 0.000 -14.954) 20.379 19.320 ( -2.384 0.000 -3.887) 4.560 19.944 ( 3.768 0.000 -0.089) 3.769 20.039 ( 7.829 0.000 3.958) 8.773 20.136 ( -3.015 0.000 0.257) 3.026 20.175 ( 17.528 0.000 28.253) 33.249 20.263 ( -3.211 0.000 2.278) 3.937 20.465 ( 2.307 0.000 3.215) 3.957 20.557 ( 3.694 0.000 -0.818) 3.784 20.914 ( 14.470 0.000 2.108) 14.623 21.325 ( -2.172 0.000 2.040) 2.979 21.510 ( 1.075 0.000 1.295) 1.683 21.527 ( -1.624 0.000 -2.698) 3.149 21.810 ( 1.531 0.000 1.590) 2.207 21.889 ( 12.229 0.000 6.978) 14.079 22.107 ( 3.540 0.000 -1.176) 3.730 23.017 ( -2.904 0.000 -0.669) 2.980 23.143 ( -1.256 0.000 0.673) 1.425 23.157 ( -1.443 0.000 -1.072) 1.798 23.183 ( -0.994 0.000 -0.015) 0.994 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -4.739 20.480 18.360) 27.910 0.892 ( 6.866 22.717 21.704) 32.160 1.578 ( -0.042 38.055 24.364) 45.187 1.805 ( -2.838 3.244 -2.827) 5.154 1.994 ( 0.342 -1.811 1.767) 2.553 2.106 ( 6.134 -5.564 -15.309) 17.405 2.221 ( 2.030 -3.656 4.890) 6.434 2.389 ( 0.690 -2.040 6.256) 6.617 2.543 ( 4.040 0.867 0.419) 4.153 2.578 ( -0.183 -8.070 1.381) 8.190 2.721 ( 0.439 -4.141 -3.961) 5.748 2.802 ( -4.589 -1.375 -2.721) 5.510 2.939 ( 2.067 -0.163 -2.148) 2.986 3.000 ( -9.476 -4.434 -0.397) 10.470 3.057 ( -3.350 3.645 -5.346) 7.286 3.087 ( 0.112 -0.027 3.591) 3.592 3.174 ( 4.121 -3.460 3.984) 6.695 3.393 ( 0.804 4.057 -0.690) 4.193 3.505 ( -4.761 7.270 0.960) 8.743 3.553 ( -0.545 -1.899 -1.846) 2.704 3.629 ( 5.974 0.456 1.985) 6.312 3.648 ( -2.132 0.177 -0.746) 2.265 3.712 ( 1.545 -0.077 1.741) 2.329 3.740 ( -2.008 1.749 1.254) 2.944 3.762 ( 0.313 3.208 -2.556) 4.113 3.823 ( -1.365 2.388 -0.777) 2.858 3.867 ( 1.955 3.878 4.246) 6.074 3.919 ( -0.638 5.050 -2.889) 5.853 3.986 ( 3.562 0.047 -7.549) 8.347 4.052 ( 1.422 -4.771 -4.904) 6.988 4.128 ( -4.064 -0.840 -3.613) 5.503 4.196 ( 1.496 5.693 -2.167) 6.272 4.242 ( -2.089 1.680 -2.421) 3.612 4.316 ( -3.312 3.463 -2.584) 5.444 4.359 ( 0.187 1.131 1.528) 1.910 4.425 ( 1.496 -0.752 1.594) 2.312 4.436 ( -0.216 2.341 2.053) 3.122 4.486 ( 3.505 -3.259 3.378) 5.858 4.558 ( 3.339 1.899 5.610) 6.799 4.692 ( 1.346 -1.448 -4.082) 4.536 4.741 ( -1.655 -2.164 -2.666) 3.812 4.843 ( -0.405 -0.635 1.714) 1.872 4.912 ( -2.642 -1.067 -0.771) 2.952 4.960 ( 3.341 -7.930 0.642) 8.629 5.063 ( 0.335 8.110 -1.262) 8.215 5.074 ( 1.424 -5.634 -1.686) 6.051 5.162 ( -0.191 2.221 4.171) 4.729 5.264 ( 1.056 -3.137 3.228) 4.623 5.311 ( -1.079 -6.157 4.498) 7.701 5.350 ( 0.489 0.215 8.182) 8.200 5.552 ( 1.347 -10.937 3.423) 11.539 5.681 ( -3.414 -7.205 -4.515) 9.162 5.820 ( -4.307 -2.755 1.078) 5.225 5.855 ( 0.206 -1.579 -5.753) 5.969 6.037 ( -1.108 -4.392 -4.756) 6.567 6.125 ( -2.654 -10.377 2.898) 11.096 6.220 ( -2.423 3.865 5.294) 6.988 6.247 ( 0.038 -11.866 -9.147) 14.983 6.292 ( 7.794 1.088 5.223) 9.445 6.381 ( 3.879 -8.642 -3.088) 9.964 6.509 ( -1.654 0.355 0.115) 1.695 6.552 ( 0.958 0.664 -4.973) 5.108 6.697 ( -1.928 -1.718 -7.737) 8.157 6.829 ( -5.362 -1.780 6.724) 8.782 6.845 ( 3.064 1.586 -2.842) 4.470 6.893 ( -3.490 2.052 0.559) 4.087 7.034 ( 1.118 4.916 -0.379) 5.056 7.090 ( -0.963 5.988 1.722) 6.304 7.129 ( -0.405 -0.489 -1.949) 2.050 7.187 ( -1.210 -3.090 -6.536) 7.330 7.232 ( 0.806 8.868 -0.641) 8.928 7.319 ( -1.376 -4.768 0.877) 5.039 7.392 ( -1.341 1.961 -4.291) 4.905 7.450 ( 2.010 -4.177 2.691) 5.360 7.579 ( -0.881 2.449 3.972) 4.749 7.701 ( 1.493 -1.287 2.211) 2.962 7.723 ( 0.695 3.321 1.028) 3.545 7.793 ( -1.574 5.499 0.821) 5.779 7.878 ( -1.173 9.084 5.493) 10.680 7.936 ( 0.077 0.632 6.186) 6.218 8.073 ( 3.072 1.600 8.262) 8.958 8.189 ( -4.570 -0.121 6.205) 7.708 8.406 ( 10.475 6.312 1.647) 12.340 8.494 ( -0.630 3.064 -4.426) 5.420 8.564 ( -2.185 4.553 0.283) 5.058 8.755 ( -1.307 0.527 0.424) 1.471 8.814 ( 3.225 0.148 -4.639) 5.652 8.887 ( -12.576 2.392 -1.674) 12.910 8.996 ( 0.671 -0.947 -5.304) 5.429 9.039 ( -1.060 -5.950 -1.180) 6.158 9.148 ( 7.350 -2.126 -1.315) 7.764 9.209 ( 0.435 7.116 3.081) 7.767 9.236 ( -0.789 -0.368 -1.046) 1.361 9.291 ( -1.749 1.352 0.423) 2.251 9.345 ( -3.636 2.504 -2.078) 4.880 9.470 ( 0.518 -0.367 -0.935) 1.131 9.549 ( 3.660 0.030 -0.265) 3.669 9.600 ( -1.800 -2.057 3.009) 4.065 9.734 ( 0.176 1.363 -1.232) 1.846 9.750 ( -2.020 -2.435 -0.695) 3.239 9.891 ( 0.415 1.501 0.602) 1.669 9.915 ( 4.069 -1.278 3.977) 5.832 10.010 ( 5.497 -1.697 -0.117) 5.754 10.085 ( 2.520 0.953 -3.389) 4.330 10.140 ( -4.539 -5.646 9.942) 12.301 10.268 ( -4.485 0.963 4.079) 6.139 10.357 ( 2.149 4.879 -5.175) 7.429 10.435 ( -2.604 -2.275 -4.679) 5.818 10.535 ( -5.065 -2.994 -0.045) 5.884 10.557 ( 3.766 -0.651 -0.726) 3.890 10.608 ( 1.176 -0.933 -3.351) 3.672 10.680 ( -1.203 -2.525 -0.647) 2.871 10.780 ( 1.940 2.915 -2.245) 4.159 10.830 ( 3.260 1.686 -1.149) 3.846 10.868 ( -4.917 -5.159 -2.955) 7.715 10.944 ( 1.020 -0.641 -0.805) 1.449 10.958 ( 0.040 -3.571 1.441) 3.851 11.125 ( -0.505 -1.821 0.762) 2.037 11.177 ( 1.866 3.786 -4.961) 6.514 11.186 ( 0.440 -0.659 1.046) 1.313 11.390 ( -0.096 -3.982 -0.430) 4.007 11.464 ( 0.048 -1.640 -2.624) 3.095 11.534 ( 0.013 1.667 1.913) 2.537 11.573 ( -1.319 5.434 1.703) 5.846 11.639 ( 0.265 -2.059 1.045) 2.324 11.747 ( -4.663 -0.271 1.822) 5.014 11.780 ( 5.196 6.223 1.195) 8.195 11.928 ( -1.108 5.393 2.088) 5.888 11.950 ( 3.824 -0.647 0.570) 3.920 12.037 ( -1.075 1.714 -7.946) 8.199 12.310 ( -0.766 -2.473 1.157) 2.836 12.446 ( 1.500 2.694 -0.842) 3.196 12.643 ( -1.958 -10.858 7.477) 13.328 12.745 ( -0.263 12.360 -2.221) 12.561 12.980 ( -0.163 -9.300 -1.941) 9.502 13.367 ( 4.757 -7.893 -2.735) 9.613 13.595 ( -1.871 -0.199 -4.441) 4.823 13.620 ( 1.197 3.125 -6.379) 7.203 13.783 ( -1.015 3.349 0.312) 3.514 14.151 ( 1.261 8.747 -12.264) 15.117 14.435 ( 3.429 -3.769 3.950) 6.447 14.472 ( -0.925 -4.969 4.297) 6.634 14.625 ( 0.362 0.090 1.116) 1.177 14.712 ( -4.424 1.526 0.676) 4.728 14.990 ( -3.045 -4.594 15.405) 16.361 15.200 ( 0.613 2.601 3.290) 4.239 15.337 ( 1.952 -1.516 -0.196) 2.479 15.544 ( 0.973 -4.157 0.405) 4.288 15.612 ( 0.841 4.581 4.439) 6.434 15.880 ( 0.153 -1.601 8.104) 8.262 16.054 ( 0.795 0.803 -4.060) 4.214 16.135 ( -6.534 -2.857 -0.041) 7.131 17.622 ( 2.596 2.865 0.371) 3.884 17.770 ( -0.358 1.040 -3.006) 3.201 17.826 ( -2.345 -0.736 -1.694) 2.984 17.851 ( 2.053 0.103 -1.834) 2.755 18.450 ( -1.901 12.509 0.938) 12.688 18.844 ( -4.279 4.892 -10.383) 12.249 18.944 ( -1.322 1.189 3.939) 4.322 19.075 ( 3.523 4.111 0.042) 5.414 19.121 ( -0.785 -3.572 -0.401) 3.680 19.386 ( -0.769 9.185 -6.309) 11.170 19.845 ( -4.019 -10.235 2.602) 11.299 20.044 ( 2.351 1.605 -2.349) 3.691 20.110 ( -4.223 -2.428 -0.112) 4.872 20.131 ( 4.437 1.077 0.248) 4.572 20.479 ( 0.202 0.590 0.569) 0.844 20.564 ( 0.280 -1.717 -1.307) 2.176 21.000 ( 10.227 -9.819 7.734) 16.150 21.142 ( -1.574 -7.429 1.929) 7.835 21.166 ( 4.035 -0.079 1.574) 4.332 21.362 ( 0.097 -6.943 -1.915) 7.203 21.635 ( -0.786 5.583 -0.593) 5.669 21.771 ( -4.160 0.794 -3.516) 5.504 22.077 ( 0.288 6.341 5.244) 8.233 22.405 ( 3.343 4.719 -9.967) 11.523 23.012 ( 1.372 0.738 1.361) 2.069 23.081 ( -0.753 -1.158 1.240) 1.856 23.120 ( -1.444 0.403 -1.460) 2.093 23.159 ( -0.352 -0.598 -0.736) 1.011 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 15.544 16.868 12.203) 25.982 1.342 ( 16.888 17.761 16.058) 29.300 1.603 ( -1.716 0.910 -6.742) 7.016 2.010 ( 12.255 4.590 4.698) 13.905 2.039 ( 6.077 12.230 -3.983) 14.226 2.226 ( 10.682 0.440 -13.460) 17.189 2.330 ( 6.688 6.279 15.895) 18.353 2.407 ( 0.741 -5.615 9.006) 10.639 2.571 ( 3.516 -4.203 -3.930) 6.743 2.651 ( -4.804 -4.267 2.016) 6.734 2.688 ( 3.256 -7.949 4.857) 9.868 2.829 ( 3.213 5.560 5.523) 8.470 2.882 ( -4.566 -6.502 -4.119) 8.949 2.959 ( 3.024 5.894 3.135) 7.329 3.049 ( 8.572 -3.179 -4.608) 10.238 3.134 ( 2.397 0.826 0.925) 2.699 3.256 ( -4.249 -3.137 -1.487) 5.487 3.377 ( 1.333 1.028 2.122) 2.708 3.397 ( -0.414 2.130 -1.029) 2.401 3.520 ( -2.543 2.258 -2.909) 4.475 3.554 ( -5.078 -0.953 -2.367) 5.683 3.648 ( -1.668 1.534 -7.032) 7.389 3.700 ( -5.722 3.354 -0.041) 6.633 3.740 ( 3.374 -3.241 2.740) 5.422 3.808 ( 1.651 5.164 -5.804) 7.942 3.862 ( 5.308 3.026 5.056) 7.931 3.895 ( 0.373 0.215 -7.368) 7.380 3.968 ( 0.001 0.268 -2.587) 2.601 3.990 ( 4.669 1.080 7.158) 8.614 4.088 ( 5.354 4.065 -6.889) 9.626 4.131 ( 3.408 -2.109 -1.556) 4.299 4.157 ( -0.282 3.196 -1.142) 3.406 4.257 ( 3.187 3.255 1.529) 4.805 4.272 ( -2.182 0.767 3.360) 4.079 4.374 ( 2.123 -3.601 1.473) 4.432 4.452 ( 5.756 4.973 0.890) 7.659 4.499 ( 1.991 0.494 -0.326) 2.078 4.554 ( -0.575 1.517 -2.078) 2.636 4.627 ( 7.211 -3.737 1.016) 8.185 4.699 ( 2.447 -0.523 -5.248) 5.814 4.742 ( -1.457 3.595 -5.762) 6.946 4.795 ( 1.101 1.255 2.027) 2.626 4.886 ( -2.137 2.728 5.429) 6.441 4.936 ( -4.543 -0.007 -3.414) 5.683 5.042 ( -1.417 1.410 5.242) 5.610 5.121 ( 3.166 -8.651 -3.185) 9.747 5.201 ( 2.443 1.611 3.434) 4.512 5.289 ( 0.586 3.768 0.050) 3.813 5.421 ( 5.563 -11.694 5.949) 14.251 5.451 ( 3.492 -1.124 -0.217) 3.675 5.541 ( -3.125 -2.436 -0.726) 4.028 5.684 ( 6.802 -5.897 3.438) 9.637 5.796 ( -2.675 -3.307 -3.402) 5.447 5.857 ( 5.519 -6.722 -2.072) 8.941 6.012 ( -7.027 -4.916 0.931) 8.626 6.066 ( 2.832 -1.021 2.671) 4.024 6.173 ( -2.029 3.144 -2.437) 4.465 6.213 ( 1.920 -12.086 -8.052) 14.649 6.361 ( -5.112 -2.921 -8.154) 10.057 6.404 ( 0.577 -4.665 8.884) 10.051 6.462 ( -2.582 0.322 3.292) 4.196 6.558 ( -2.188 -11.334 -4.334) 12.330 6.626 ( 2.444 2.402 -6.967) 7.765 6.778 ( -1.892 -1.336 1.330) 2.671 6.817 ( -2.145 0.305 -0.201) 2.176 6.934 ( 2.783 2.775 6.327) 7.448 6.957 ( -5.221 5.417 -1.282) 7.632 7.039 ( -1.855 -2.129 -0.221) 2.833 7.114 ( -3.817 -1.790 -2.682) 4.997 7.165 ( 1.064 4.069 2.696) 4.996 7.233 ( -3.774 -0.774 -0.695) 3.915 7.247 ( 2.027 11.664 -1.619) 11.949 7.339 ( -3.401 -0.861 -1.306) 3.743 7.489 ( -1.660 0.530 -2.421) 2.984 7.538 ( -4.507 7.101 -0.043) 8.410 7.624 ( -4.473 -0.948 2.940) 5.436 7.765 ( -3.018 1.843 9.333) 9.980 7.809 ( -0.808 6.032 0.206) 6.090 7.856 ( 1.787 7.288 -0.983) 7.568 7.933 ( -5.584 -1.604 11.517) 12.899 8.170 ( -2.280 0.496 6.403) 6.815 8.253 ( 0.868 -2.024 3.873) 4.456 8.334 ( -7.923 6.479 2.161) 10.461 8.519 ( 1.539 -1.109 -0.201) 1.908 8.617 ( -10.000 -1.662 -1.979) 10.328 8.656 ( 4.778 -1.325 -2.561) 5.581 8.763 ( 2.525 2.722 -0.893) 3.819 8.825 ( 2.377 3.181 -2.927) 4.933 8.936 ( -2.877 -2.620 -5.360) 6.624 9.041 ( 2.089 1.800 -4.977) 5.690 9.103 ( -7.405 -5.115 -1.895) 9.197 9.158 ( -3.993 5.730 0.193) 6.987 9.258 ( 1.152 -0.585 2.205) 2.556 9.292 ( 0.067 -0.942 3.677) 3.796 9.385 ( 4.432 2.204 0.455) 4.971 9.482 ( -0.569 -0.720 -1.999) 2.200 9.569 ( -5.222 4.837 2.978) 7.716 9.588 ( 3.428 0.884 0.362) 3.559 9.686 ( -0.104 2.199 -1.608) 2.726 9.719 ( -2.163 1.467 -3.672) 4.507 9.906 ( 5.063 0.975 2.890) 5.911 9.978 ( 2.688 3.204 0.216) 4.187 10.034 ( 1.413 -5.895 -0.551) 6.087 10.099 ( -4.169 -1.899 2.060) 5.023 10.195 ( -1.725 2.098 -0.513) 2.765 10.226 ( -3.337 1.132 -4.979) 6.100 10.329 ( -5.756 0.955 -5.085) 7.739 10.336 ( 3.759 -6.228 2.585) 7.720 10.491 ( -1.018 -1.339 -0.882) 1.900 10.606 ( 0.833 -5.154 -3.086) 6.065 10.624 ( 3.749 1.872 0.404) 4.209 10.715 ( 4.123 -1.694 0.250) 4.464 10.811 ( 2.437 -1.055 -1.250) 2.935 10.826 ( 1.532 -1.061 1.241) 2.239 10.908 ( -1.491 1.728 -0.666) 2.377 10.958 ( 1.788 -1.505 -0.224) 2.347 10.979 ( 3.567 -0.263 -1.242) 3.786 11.122 ( 0.295 -3.625 2.277) 4.291 11.200 ( -2.206 -1.793 1.291) 3.122 11.245 ( 5.950 -3.919 -4.263) 8.303 11.358 ( -0.833 -1.451 -5.527) 5.774 11.506 ( 2.754 1.001 1.280) 3.198 11.544 ( 1.413 -2.374 0.883) 2.900 11.575 ( -1.447 1.047 -2.158) 2.802 11.624 ( 0.927 1.682 0.929) 2.134 11.733 ( -0.139 -0.224 3.256) 3.267 11.843 ( -0.963 2.925 -2.561) 4.005 11.938 ( 3.326 -2.685 -2.397) 4.901 12.034 ( 6.461 4.487 -1.684) 8.044 12.039 ( 2.387 2.074 2.191) 3.847 12.320 ( 0.935 -1.251 2.028) 2.560 12.492 ( 3.460 2.898 0.256) 4.521 12.682 ( 1.055 -11.225 5.423) 12.511 12.747 ( 1.336 12.032 -0.932) 12.141 12.957 ( -1.099 -7.463 -1.118) 7.625 13.444 ( 4.128 -11.693 -9.463) 15.599 13.464 ( -5.698 -0.261 -6.540) 8.678 13.629 ( 2.208 5.846 -1.942) 6.544 13.768 ( -0.187 1.721 0.308) 1.759 14.124 ( 2.531 3.775 -8.538) 9.672 14.433 ( -2.792 -5.928 1.167) 6.656 14.521 ( 1.229 -0.459 4.791) 4.967 14.577 ( -6.594 -5.780 0.316) 8.775 14.685 ( 0.091 2.312 5.270) 5.755 15.013 ( -3.073 0.498 10.970) 11.403 15.274 ( 4.864 1.326 0.768) 5.099 15.399 ( 4.596 -0.793 0.033) 4.664 15.566 ( 0.399 -3.816 1.728) 4.208 15.657 ( 0.397 4.736 4.632) 6.637 15.909 ( -1.584 1.281 6.582) 6.890 15.955 ( -7.602 3.503 -0.393) 8.380 16.004 ( -3.312 0.848 -4.043) 5.295 17.664 ( 0.620 2.008 -0.579) 2.180 17.791 ( 2.381 -0.603 -0.167) 2.462 17.869 ( 8.530 1.632 -6.418) 10.799 17.966 ( 7.393 0.320 -0.145) 7.401 18.508 ( 6.652 11.518 1.732) 13.414 18.738 ( 0.132 6.013 -7.315) 9.471 19.001 ( 3.533 -0.275 2.433) 4.298 19.126 ( 2.747 -2.525 0.085) 3.732 19.189 ( 6.354 2.478 1.314) 6.945 19.367 ( 2.641 7.133 -5.517) 9.396 19.799 ( -3.241 -10.604 4.563) 11.991 20.014 ( -4.884 1.632 0.474) 5.171 20.084 ( 1.856 -4.412 -2.044) 5.205 20.222 ( 4.253 0.783 0.706) 4.382 20.469 ( -1.637 0.174 1.031) 1.942 20.510 ( -4.100 -0.147 -1.538) 4.381 20.848 ( -13.664 -3.803 -0.236) 14.185 21.127 ( -2.495 -13.155 4.662) 14.178 21.269 ( -6.487 -1.303 -3.256) 7.374 21.368 ( 4.418 -6.099 2.490) 7.931 21.593 ( -6.135 4.029 -1.329) 7.459 21.665 ( -1.281 1.219 -0.353) 1.803 22.035 ( -7.291 6.696 4.142) 10.731 22.266 ( -8.655 5.719 -3.260) 10.874 23.080 ( 3.364 0.415 1.380) 3.659 23.088 ( 0.660 0.654 -1.320) 1.614 23.136 ( 3.629 -0.867 0.835) 3.823 23.153 ( 0.424 -0.913 -1.117) 1.504 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 15.693 9.744 -0.329) 18.475 1.483 ( 9.172 8.659 0.650) 12.630 1.882 ( 17.844 6.975 13.034) 23.172 2.100 ( 6.260 4.090 -4.183) 8.568 2.129 ( 2.639 -0.275 -1.077) 2.864 2.244 ( 1.080 5.761 -5.280) 7.889 2.444 ( 3.908 -4.058 1.196) 5.759 2.496 ( -3.237 1.339 -0.983) 3.638 2.605 ( 0.473 -3.362 1.897) 3.889 2.674 ( -4.469 -1.752 -4.934) 6.884 2.708 ( -0.213 3.711 8.845) 9.594 2.840 ( -2.954 -2.883 -0.793) 4.203 2.912 ( 7.354 -3.641 1.696) 8.380 3.038 ( -6.535 -6.048 -1.234) 8.989 3.087 ( -0.972 -1.538 -1.900) 2.631 3.204 ( 7.124 -3.031 -1.692) 7.925 3.287 ( -7.468 3.177 -3.227) 8.734 3.317 ( -4.581 -3.614 -4.847) 7.585 3.402 ( -8.066 -4.142 0.274) 9.072 3.463 ( 4.197 -4.336 2.039) 6.370 3.509 ( 9.598 -0.470 4.937) 10.803 3.589 ( 9.960 2.219 5.114) 11.414 3.701 ( 5.227 0.594 -2.289) 5.737 3.775 ( -0.867 3.033 -2.226) 3.861 3.869 ( 3.960 0.552 6.782) 7.873 3.940 ( 7.219 3.036 -1.400) 7.956 3.945 ( 1.246 7.346 -1.161) 7.541 4.001 ( 0.209 2.270 2.425) 3.328 4.071 ( 0.488 1.618 -0.903) 1.917 4.087 ( 3.279 0.108 2.886) 4.370 4.178 ( 2.907 5.481 2.256) 6.601 4.248 ( 3.618 9.345 2.552) 10.340 4.296 ( 7.839 -2.509 -0.469) 8.244 4.387 ( 7.477 1.509 2.779) 8.119 4.464 ( -4.106 -2.288 2.304) 5.235 4.480 ( -2.097 3.879 -2.850) 5.251 4.558 ( 8.289 -1.149 0.095) 8.368 4.603 ( 4.462 1.637 -2.300) 5.280 4.626 ( -5.591 -0.041 -3.083) 6.385 4.719 ( 4.696 7.092 -3.203) 9.089 4.779 ( -1.614 5.094 -0.749) 5.396 4.822 ( 2.780 -4.578 -2.402) 5.870 4.862 ( 7.687 -1.189 -0.959) 7.838 4.992 ( 10.885 3.921 -1.512) 11.668 5.091 ( 1.713 -5.285 -0.113) 5.557 5.155 ( 5.182 -5.044 -1.909) 7.480 5.279 ( 2.692 7.466 -5.890) 9.883 5.303 ( 2.369 2.729 1.266) 3.830 5.420 ( -5.299 -4.918 5.896) 9.328 5.475 ( -1.243 -2.108 -6.296) 6.755 5.564 ( 3.229 -0.104 2.762) 4.250 5.728 ( -3.778 -3.004 -2.967) 5.666 5.761 ( -3.333 -4.937 -0.969) 6.035 5.932 ( 7.200 -9.021 0.344) 11.547 6.005 ( -0.846 4.121 8.478) 9.464 6.061 ( -5.019 3.154 -5.089) 7.813 6.125 ( -0.232 2.441 -1.050) 2.668 6.189 ( 1.872 -8.195 -7.195) 11.065 6.312 ( 1.013 -3.420 3.310) 4.866 6.383 ( -6.656 -8.283 -1.977) 10.808 6.459 ( -0.069 0.032 3.789) 3.790 6.522 ( 4.401 -3.081 3.771) 6.564 6.622 ( 1.509 1.194 -5.284) 5.624 6.685 ( -2.753 -1.037 1.667) 3.381 6.852 ( -4.288 3.512 3.989) 6.829 6.880 ( 1.129 -3.599 0.962) 3.893 7.005 ( 0.338 -0.445 -2.481) 2.543 7.016 ( -2.881 1.606 2.366) 4.059 7.023 ( -2.243 -3.824 -0.019) 4.433 7.166 ( -5.961 2.898 0.186) 6.630 7.174 ( 0.175 -0.423 -0.941) 1.047 7.239 ( -2.340 -0.541 0.305) 2.421 7.279 ( -1.068 -0.860 -0.759) 1.567 7.371 ( -5.447 3.642 -0.675) 6.588 7.470 ( -1.199 6.407 0.418) 6.532 7.555 ( -5.395 4.064 3.031) 7.404 7.728 ( -5.490 -1.856 4.304) 7.218 7.782 ( -2.526 4.322 2.811) 5.741 7.803 ( -9.439 0.306 0.974) 9.494 7.902 ( -4.158 5.681 -2.709) 7.543 8.052 ( -4.054 -1.871 8.679) 9.760 8.203 ( -6.589 -0.303 6.569) 9.309 8.275 ( -6.780 -1.187 -4.831) 8.410 8.452 ( -0.172 -4.655 -0.789) 4.724 8.560 ( -1.232 1.206 -0.946) 1.967 8.638 ( 0.039 1.212 -3.296) 3.512 8.766 ( -5.513 6.430 -0.000) 8.470 8.862 ( 0.623 -6.117 1.524) 6.334 8.918 ( 3.792 -0.790 -3.127) 4.978 8.972 ( 2.748 0.131 -4.832) 5.561 9.112 ( 3.809 3.678 -1.628) 5.539 9.170 ( 1.555 -1.190 1.945) 2.760 9.236 ( -0.834 1.380 3.098) 3.493 9.294 ( -2.256 -1.940 -2.482) 3.875 9.407 ( -0.784 -1.065 1.447) 1.960 9.443 ( -3.287 2.222 0.756) 4.039 9.524 ( 1.566 4.323 0.821) 4.670 9.647 ( -1.214 -0.755 -2.541) 2.915 9.688 ( 1.999 0.692 -1.603) 2.654 9.707 ( 3.618 3.213 0.429) 4.858 9.886 ( -6.010 0.066 -0.893) 6.077 9.914 ( -4.767 -1.659 -4.182) 6.555 10.081 ( -1.117 1.795 -0.901) 2.298 10.126 ( -0.099 1.469 1.981) 2.468 10.148 ( 0.635 4.040 -2.671) 4.884 10.250 ( 5.171 0.164 0.021) 5.174 10.274 ( 4.187 -1.850 3.643) 5.850 10.382 ( 1.674 -0.455 1.176) 2.096 10.443 ( -1.487 -0.524 -2.300) 2.789 10.593 ( 0.333 -3.990 -4.227) 5.823 10.716 ( -1.783 -1.015 0.475) 2.106 10.734 ( 2.530 -2.434 0.146) 3.514 10.833 ( 0.761 -0.588 -1.836) 2.073 10.889 ( 1.302 1.204 3.624) 4.035 10.912 ( 4.405 -1.294 -0.612) 4.632 10.971 ( 0.057 -1.035 -0.410) 1.115 11.050 ( 1.957 0.506 2.907) 3.540 11.108 ( -3.206 0.876 2.232) 4.004 11.189 ( 2.070 -0.127 2.050) 2.916 11.301 ( -1.213 -1.542 -3.373) 3.902 11.314 ( 2.529 -3.089 -2.691) 4.814 11.496 ( -2.353 2.831 0.757) 3.758 11.531 ( -1.525 0.804 -1.256) 2.133 11.607 ( 1.232 -2.652 -0.622) 2.990 11.645 ( 1.331 -3.316 0.342) 3.589 11.737 ( -0.140 -0.635 -2.735) 2.811 11.820 ( 1.152 3.188 -0.589) 3.441 11.977 ( 2.486 -5.723 -2.432) 6.697 12.091 ( 1.199 2.238 3.088) 3.998 12.181 ( 7.841 3.931 -2.099) 9.019 12.360 ( 0.862 1.232 3.528) 3.835 12.574 ( 3.366 1.431 2.618) 4.498 12.720 ( 0.315 -4.517 1.113) 4.663 12.783 ( 1.626 5.787 2.380) 6.465 12.926 ( -1.657 -6.409 0.169) 6.622 13.248 ( -8.054 3.943 -6.392) 11.013 13.489 ( 5.774 -11.190 -13.762) 18.653 13.661 ( 1.814 6.595 -0.052) 6.840 13.786 ( 0.845 -2.898 1.672) 3.450 14.137 ( 3.243 -1.051 -5.461) 6.437 14.388 ( -2.150 -8.270 -1.132) 8.619 14.441 ( -5.114 -12.258 -1.515) 13.368 14.564 ( -0.662 3.233 4.850) 5.866 14.703 ( -2.734 2.169 8.399) 9.095 15.011 ( -3.161 6.994 7.335) 10.616 15.371 ( 4.563 -0.170 -0.791) 4.634 15.496 ( 4.305 -1.310 0.815) 4.573 15.578 ( 0.303 -2.527 -0.440) 2.583 15.681 ( 0.314 4.033 1.945) 4.489 15.854 ( -3.244 4.993 2.742) 6.555 15.894 ( -4.697 1.971 -2.221) 5.557 15.941 ( 1.060 2.935 1.058) 3.295 17.673 ( 0.571 3.003 0.728) 3.142 17.880 ( 6.216 -2.190 -0.315) 6.598 17.955 ( 3.912 3.437 -4.170) 6.671 18.087 ( 4.833 1.498 -1.125) 5.183 18.693 ( 9.173 6.821 2.816) 11.773 18.762 ( 5.631 3.522 -2.746) 7.187 19.072 ( 2.250 0.107 2.486) 3.355 19.229 ( 6.586 -2.400 -0.747) 7.050 19.321 ( 6.098 -0.267 -1.268) 6.234 19.396 ( 2.440 5.267 -3.048) 6.556 19.746 ( -4.824 -9.471 2.850) 11.005 19.930 ( -2.918 2.103 0.226) 3.604 20.099 ( 0.528 -6.929 -1.064) 7.030 20.275 ( 0.136 -4.233 -0.319) 4.247 20.408 ( -3.655 1.918 -2.635) 4.897 20.447 ( -2.023 1.023 1.961) 2.998 20.630 ( -7.659 -1.163 -0.983) 7.809 21.050 ( -4.398 -3.007 -8.187) 9.768 21.135 ( -5.624 -3.365 5.525) 8.572 21.369 ( -4.076 -4.712 -0.156) 6.233 21.490 ( -3.044 5.605 4.466) 7.786 21.663 ( -1.364 -2.005 2.257) 3.313 21.880 ( -9.301 6.801 2.178) 11.726 22.083 ( -8.188 1.763 -2.661) 8.788 23.088 ( 1.388 0.656 -1.305) 2.015 23.152 ( 0.522 -1.000 -0.557) 1.258 23.175 ( 3.510 0.250 1.414) 3.792 23.212 ( 3.035 -0.757 0.212) 3.135 ======================= Grid point 45 (23/54) ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 6.169 7.025 2.893) 9.787 1.842 ( 13.107 4.510 4.699) 14.636 2.090 ( 1.855 -5.437 -1.587) 5.960 2.161 ( 2.700 -1.919 0.175) 3.317 2.297 ( 3.886 2.641 3.729) 5.999 2.320 ( -3.489 1.801 4.902) 6.281 2.429 ( 2.653 3.239 2.613) 4.935 2.485 ( -3.189 5.493 -1.153) 6.456 2.584 ( 4.871 1.336 2.730) 5.742 2.637 ( 3.277 1.064 -4.289) 5.501 2.723 ( 0.592 1.348 0.662) 1.614 2.794 ( -2.886 2.246 7.063) 7.953 2.833 ( -13.871 5.866 -2.384) 15.248 2.878 ( -3.546 -1.409 -2.515) 4.570 3.042 ( -1.631 -6.208 1.174) 6.525 3.125 ( 1.791 -2.714 -5.732) 6.590 3.233 ( 3.378 -7.222 -0.578) 7.994 3.309 ( 4.162 -5.724 2.679) 7.567 3.415 ( -0.346 -8.002 0.476) 8.023 3.498 ( 4.407 -11.789 -4.204) 13.269 3.646 ( -4.193 -1.208 -2.416) 4.988 3.681 ( 1.386 1.200 4.200) 4.582 3.740 ( 2.233 2.626 -1.619) 3.809 3.782 ( -0.986 1.296 0.215) 1.643 3.900 ( 0.789 1.474 -5.962) 6.193 3.997 ( -3.561 1.955 -4.250) 5.879 4.035 ( 2.597 1.624 2.523) 3.969 4.091 ( -0.219 6.041 2.282) 6.461 4.154 ( 6.848 0.300 -0.461) 6.870 4.166 ( 2.270 5.951 2.553) 6.862 4.282 ( -4.123 1.414 2.105) 4.840 4.330 ( -0.498 7.723 0.818) 7.782 4.373 ( 0.106 1.042 -0.596) 1.206 4.400 ( 5.984 -0.499 6.478) 8.833 4.466 ( -2.627 -0.795 0.608) 2.811 4.530 ( 4.687 2.894 5.187) 7.566 4.578 ( 5.327 6.064 1.882) 8.288 4.618 ( -0.368 0.472 -1.449) 1.568 4.660 ( 0.347 -1.111 -1.371) 1.799 4.672 ( -2.824 4.164 -3.695) 6.242 4.841 ( 5.550 5.175 -5.901) 9.613 4.882 ( 4.521 0.073 1.446) 4.747 5.008 ( -6.098 -0.960 -0.029) 6.173 5.064 ( 3.524 -0.714 -4.465) 5.733 5.148 ( 3.918 -3.663 2.499) 5.918 5.200 ( 1.053 1.081 1.769) 2.325 5.316 ( 6.453 -0.902 -3.475) 7.384 5.359 ( -1.236 5.180 -0.633) 5.363 5.419 ( 11.723 2.558 -9.573) 15.350 5.502 ( 8.104 -4.779 2.665) 9.778 5.584 ( -2.725 -6.429 -6.534) 9.563 5.690 ( 3.589 2.696 2.822) 5.302 5.719 ( -1.580 0.991 6.345) 6.613 5.873 ( -7.916 3.323 2.097) 8.837 5.958 ( -6.041 7.033 -1.761) 9.437 6.019 ( 0.198 -0.781 1.796) 1.968 6.137 ( -0.042 -3.653 -2.205) 4.267 6.173 ( 1.142 -3.985 -4.774) 6.323 6.306 ( 0.590 2.056 6.451) 6.796 6.427 ( -4.563 4.857 0.027) 6.665 6.461 ( 3.484 -5.589 5.900) 8.842 6.575 ( 3.457 -0.885 -2.985) 4.652 6.648 ( -5.073 -3.899 0.437) 6.413 6.677 ( 3.098 -1.522 0.920) 3.572 6.820 ( -2.879 2.698 5.573) 6.828 6.886 ( 1.382 -4.623 1.269) 4.990 6.916 ( -5.149 1.022 -4.010) 6.606 7.003 ( -0.265 0.648 -3.497) 3.566 7.007 ( 0.112 -1.079 -2.096) 2.360 7.066 ( -0.289 1.082 -0.354) 1.174 7.154 ( 0.843 -3.647 -2.905) 4.738 7.193 ( -0.963 -2.576 -2.397) 3.648 7.274 ( 1.190 -3.229 4.027) 5.297 7.342 ( -2.108 -3.144 -0.720) 3.853 7.449 ( -7.300 5.613 4.841) 10.403 7.501 ( -3.175 3.023 7.468) 8.660 7.550 ( -5.545 -0.014 -0.081) 5.546 7.610 ( -6.609 0.316 -3.945) 7.703 7.778 ( 2.370 0.129 -4.710) 5.274 7.825 ( -2.814 0.554 3.473) 4.504 8.024 ( -7.391 -3.062 -1.345) 8.113 8.113 ( -1.702 -2.292 4.233) 5.106 8.163 ( -0.614 -0.056 4.361) 4.405 8.445 ( -0.310 -3.258 -3.282) 4.635 8.559 ( 1.111 3.767 2.139) 4.472 8.643 ( -1.770 5.470 0.989) 5.834 8.691 ( 1.189 1.791 -0.600) 2.232 8.851 ( -1.108 -5.159 0.750) 5.330 8.982 ( 4.015 0.619 -0.759) 4.132 9.049 ( 4.420 -3.241 -0.014) 5.481 9.107 ( -3.276 -0.334 -1.380) 3.570 9.165 ( -1.616 -0.504 -4.175) 4.505 9.257 ( 3.335 2.686 1.644) 4.586 9.344 ( 1.908 2.904 3.177) 4.708 9.367 ( 1.336 0.379 1.826) 2.294 9.439 ( -0.586 1.251 1.734) 2.217 9.568 ( 2.409 2.006 -1.531) 3.489 9.623 ( -1.977 -2.895 0.234) 3.513 9.669 ( -3.290 -0.759 -3.427) 4.811 9.766 ( 2.081 0.120 -0.598) 2.169 9.804 ( -0.081 1.692 -4.330) 4.650 9.822 ( -1.120 0.288 -1.623) 1.993 9.986 ( -4.130 4.209 0.061) 5.897 10.098 ( -1.012 2.625 -1.795) 3.337 10.201 ( 2.651 5.030 1.257) 5.823 10.257 ( -2.621 -2.245 -0.417) 3.476 10.355 ( 1.427 -0.588 -1.352) 2.051 10.485 ( 6.140 1.287 2.258) 6.668 10.513 ( 5.568 -2.010 1.518) 6.111 10.556 ( -2.003 -2.168 -2.539) 3.894 10.623 ( -3.569 -4.503 -1.234) 5.877 10.736 ( -1.836 -1.077 -2.718) 3.452 10.863 ( 1.595 0.271 0.277) 1.642 10.900 ( -2.202 2.476 -1.704) 3.725 10.976 ( 1.076 -0.644 1.410) 1.887 10.983 ( 2.432 0.779 1.780) 3.113 11.088 ( 0.167 -2.951 4.904) 5.726 11.121 ( 0.028 -0.262 6.287) 6.292 11.216 ( -1.157 1.293 -1.147) 2.080 11.266 ( 1.317 -0.957 -2.791) 3.231 11.360 ( 2.874 2.281 1.392) 3.925 11.465 ( -0.870 1.748 0.731) 2.085 11.505 ( -1.273 2.106 2.509) 3.514 11.587 ( -2.197 -0.948 2.339) 3.346 11.678 ( 1.829 -4.423 -2.184) 5.261 11.721 ( 1.597 -1.654 -5.792) 6.232 11.844 ( 0.470 3.346 0.580) 3.428 12.015 ( 2.841 -7.789 -1.254) 8.386 12.116 ( -0.368 1.502 1.650) 2.262 12.280 ( 4.404 2.477 -4.958) 7.079 12.383 ( -0.785 4.752 2.836) 5.589 12.594 ( -5.597 -2.226 3.122) 6.784 12.717 ( 1.005 4.599 -2.740) 5.446 12.818 ( -0.422 1.021 4.287) 4.427 12.893 ( -0.809 -6.897 -1.944) 7.211 13.170 ( 2.908 4.675 2.541) 6.063 13.498 ( 3.253 -5.816 -11.235) 13.063 13.689 ( 2.902 3.253 -7.904) 9.027 13.812 ( -0.403 -4.845 5.974) 7.703 14.173 ( 2.675 -3.077 -2.408) 4.735 14.324 ( -2.071 -14.460 -2.686) 14.852 14.380 ( -0.877 -10.823 -1.947) 11.032 14.576 ( -0.472 4.175 3.930) 5.753 14.694 ( -3.242 -0.036 8.068) 8.696 14.980 ( -4.227 10.914 5.826) 13.074 15.430 ( 1.911 -1.780 -0.723) 2.710 15.549 ( -0.910 -1.658 2.767) 3.351 15.570 ( 1.168 -0.188 -5.295) 5.425 15.706 ( 1.300 2.271 -1.082) 2.832 15.790 ( -2.561 3.196 -1.287) 4.293 15.849 ( -1.006 6.423 2.965) 7.145 15.966 ( 0.745 2.868 0.464) 3.000 17.697 ( 0.495 3.946 3.268) 5.148 17.972 ( 2.377 -0.806 -2.321) 3.419 18.006 ( 3.623 2.430 0.098) 4.364 18.135 ( 1.205 1.730 -2.062) 2.949 18.857 ( 5.260 1.425 4.870) 7.309 18.901 ( 7.038 1.203 1.989) 7.412 19.125 ( 1.114 2.657 2.440) 3.776 19.290 ( -2.568 -0.263 -1.903) 3.207 19.323 ( -0.650 1.244 -1.871) 2.339 19.459 ( 5.046 -2.553 -5.927) 8.192 19.703 ( -0.931 -7.329 3.484) 8.168 19.919 ( 1.126 4.747 0.458) 4.900 20.085 ( -1.494 -7.337 -0.633) 7.515 20.233 ( -2.789 -4.645 -3.138) 6.261 20.329 ( -2.061 -0.926 -3.829) 4.446 20.396 ( -2.524 -3.913 -3.052) 5.567 20.556 ( -0.595 3.310 2.217) 4.029 20.918 ( -4.005 2.408 -8.384) 9.599 21.110 ( 1.192 1.064 4.558) 4.830 21.316 ( -1.790 -1.376 1.048) 2.489 21.486 ( -1.657 1.977 7.194) 7.643 21.611 ( -4.846 -1.386 2.679) 5.708 21.762 ( -2.572 3.770 -0.967) 4.665 21.936 ( -3.613 -0.672 -3.811) 5.294 23.116 ( 1.561 0.418 0.327) 1.649 23.165 ( 0.737 -0.780 0.431) 1.156 23.220 ( 0.480 0.216 -0.008) 0.527 23.249 ( 0.824 -0.602 -0.535) 1.152 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 1.478 5.027 7.373) 9.045 1.919 ( -20.670 4.211 6.313) 22.019 1.991 ( -15.531 2.648 -2.134) 15.899 2.114 ( 3.172 1.192 2.044) 3.957 2.165 ( -2.855 5.046 -4.783) 7.516 2.310 ( -3.932 -2.471 -1.149) 4.784 2.367 ( 1.759 2.565 3.376) 4.590 2.501 ( -5.933 -4.204 -0.729) 7.308 2.575 ( 0.449 2.428 -0.082) 2.470 2.676 ( -3.014 1.772 2.939) 4.567 2.738 ( 4.208 -3.424 2.479) 5.965 2.878 ( 4.860 -0.166 6.541) 8.151 2.900 ( 8.213 3.013 -0.542) 8.765 2.974 ( 12.009 -3.318 1.001) 12.499 3.128 ( 9.818 -1.250 0.136) 9.898 3.215 ( 5.195 -3.392 2.998) 6.891 3.288 ( 1.052 -2.567 0.224) 2.783 3.367 ( -0.738 -5.653 3.170) 6.523 3.417 ( 3.845 -2.060 -2.261) 4.913 3.502 ( -6.763 -0.492 -3.921) 7.833 3.563 ( 0.880 -1.956 -2.410) 3.226 3.643 ( -1.296 -0.768 -7.217) 7.373 3.743 ( -8.911 -0.308 -3.587) 9.611 3.816 ( -15.405 5.229 -0.102) 16.269 3.824 ( 2.061 -2.166 5.862) 6.581 3.858 ( -2.442 -2.419 -0.396) 3.460 3.912 ( -0.444 2.504 -1.322) 2.866 4.088 ( -4.131 0.215 -0.970) 4.249 4.143 ( -4.913 0.398 1.034) 5.036 4.191 ( -3.783 5.736 3.969) 7.935 4.201 ( 0.500 2.876 -2.180) 3.643 4.287 ( -3.690 3.678 0.567) 5.241 4.323 ( -5.885 6.921 1.158) 9.159 4.380 ( -1.169 -0.128 -1.127) 1.629 4.439 ( -4.119 -0.156 -0.609) 4.167 4.486 ( -3.738 5.352 1.381) 6.673 4.558 ( 4.863 -1.542 -5.197) 7.282 4.640 ( -0.052 0.016 -2.578) 2.579 4.663 ( -0.304 0.645 -4.610) 4.665 4.696 ( 1.503 6.396 1.684) 6.782 4.862 ( -1.787 1.651 -6.274) 6.730 4.891 ( -2.979 -3.684 1.765) 5.056 5.034 ( -2.798 -3.430 -0.916) 4.521 5.094 ( 1.932 -0.311 -0.751) 2.096 5.178 ( -1.199 3.017 -4.113) 5.240 5.272 ( -7.945 3.553 6.335) 10.765 5.313 ( 4.936 -0.287 9.293) 10.527 5.376 ( 2.349 -0.183 -8.588) 8.906 5.464 ( -8.154 -5.485 6.172) 11.605 5.539 ( -6.383 -1.714 -0.800) 6.658 5.630 ( 4.990 -2.029 1.805) 5.681 5.688 ( 8.835 -0.631 -0.152) 8.859 5.776 ( -3.841 5.412 3.297) 7.410 5.819 ( -2.067 7.509 -1.820) 7.999 6.020 ( -5.991 -1.501 -6.907) 9.266 6.039 ( 18.030 4.396 7.407) 19.982 6.171 ( 2.399 -1.961 -4.558) 5.511 6.202 ( 11.322 -1.571 4.011) 12.114 6.315 ( -2.432 2.240 5.526) 6.440 6.397 ( 0.299 -2.638 0.365) 2.680 6.509 ( -7.168 0.123 3.374) 7.923 6.532 ( 2.472 -0.558 3.058) 3.972 6.627 ( -1.346 -2.214 2.446) 3.563 6.695 ( -5.760 1.435 -4.501) 7.450 6.725 ( 3.700 -0.777 -1.296) 3.996 6.827 ( -3.359 0.418 -7.098) 7.864 6.931 ( -1.616 -2.508 1.196) 3.214 6.957 ( 3.155 0.545 -3.054) 4.425 7.033 ( 0.312 2.821 -4.184) 5.056 7.049 ( -5.256 -0.718 3.940) 6.608 7.154 ( 1.417 -1.909 -0.380) 2.408 7.196 ( 4.168 -0.130 -3.278) 5.305 7.306 ( 1.655 -5.683 -0.817) 5.976 7.344 ( 1.098 -1.515 -0.921) 2.085 7.394 ( 6.172 -1.773 1.466) 6.586 7.468 ( 1.085 -2.014 -4.713) 5.239 7.533 ( 1.213 0.746 4.476) 4.697 7.620 ( 1.732 -1.044 5.179) 5.560 7.785 ( -0.435 1.845 -0.704) 2.022 7.842 ( 2.194 -0.995 0.647) 2.495 7.927 ( 1.821 3.928 2.235) 4.872 8.190 ( 4.269 -1.399 4.409) 6.294 8.212 ( 1.440 -0.604 3.669) 3.988 8.413 ( -0.590 -3.151 -3.000) 4.390 8.574 ( -2.695 5.266 0.687) 5.956 8.645 ( 4.552 4.732 1.276) 6.689 8.764 ( 4.362 -2.916 1.755) 5.532 8.841 ( -0.501 -3.400 1.725) 3.845 9.040 ( 0.906 1.694 -2.553) 3.195 9.060 ( -0.491 -0.167 0.390) 0.649 9.104 ( -0.375 0.871 -0.754) 1.212 9.116 ( 1.678 -2.729 -1.524) 3.548 9.303 ( -2.212 4.602 -0.042) 5.106 9.360 ( -2.060 -1.988 -0.068) 2.864 9.403 ( 1.286 -2.217 4.144) 4.873 9.472 ( 1.739 0.456 4.077) 4.455 9.511 ( -3.732 -2.253 -2.608) 5.080 9.565 ( -1.623 -2.585 -0.488) 3.091 9.648 ( 3.411 5.798 -4.674) 8.191 9.770 ( -0.806 2.607 -4.168) 4.982 9.804 ( 2.081 -1.050 -2.533) 3.442 9.829 ( 1.240 1.568 0.826) 2.163 9.963 ( 0.105 1.680 -0.384) 1.727 10.066 ( -0.508 0.467 -4.693) 4.744 10.221 ( 0.345 1.701 2.099) 2.724 10.267 ( 2.280 3.995 1.817) 4.945 10.372 ( -0.021 0.159 -0.524) 0.548 10.473 ( -1.955 -1.253 0.503) 2.376 10.513 ( -2.415 -2.225 1.738) 3.715 10.577 ( -1.971 -1.133 -3.522) 4.192 10.620 ( 4.777 -2.065 -0.951) 5.290 10.748 ( 2.395 -2.313 0.640) 3.391 10.822 ( -3.103 4.436 -1.536) 5.627 10.874 ( -0.316 3.106 -2.397) 3.936 10.985 ( -1.482 -2.203 1.481) 3.040 10.997 ( -2.221 -1.502 1.563) 3.104 11.097 ( -1.444 -4.601 3.057) 5.710 11.126 ( -2.496 -2.049 2.223) 3.920 11.226 ( 1.802 0.654 4.618) 5.000 11.315 ( 4.824 1.253 -1.844) 5.315 11.424 ( 1.628 4.251 3.958) 6.032 11.467 ( -0.878 1.153 2.023) 2.489 11.508 ( -0.534 1.712 2.826) 3.346 11.576 ( -0.326 1.473 2.508) 2.927 11.679 ( -0.667 -4.758 -2.098) 5.242 11.734 ( 4.117 -0.754 -6.681) 7.883 11.835 ( -1.638 -0.054 0.283) 1.664 12.070 ( 0.750 -6.117 3.759) 7.219 12.087 ( -0.395 0.740 -6.782) 6.833 12.288 ( -1.265 1.768 -2.560) 3.358 12.359 ( -1.780 5.045 -2.575) 5.937 12.459 ( -6.841 0.342 4.988) 8.474 12.732 ( 0.791 1.040 -0.394) 1.365 12.822 ( -1.808 1.284 5.155) 5.612 12.896 ( 2.801 -5.779 -4.056) 7.596 13.328 ( 7.772 3.326 6.935) 10.934 13.469 ( 0.167 0.269 -8.513) 8.519 13.675 ( 3.474 -3.019 -14.324) 15.046 13.844 ( -1.294 -3.036 7.803) 8.472 14.196 ( 0.152 -5.852 0.285) 5.861 14.294 ( 1.439 -15.414 -4.978) 16.261 14.364 ( 0.829 -8.833 -3.066) 9.387 14.609 ( 1.178 4.534 4.758) 6.677 14.691 ( -1.298 -2.029 5.316) 5.836 14.926 ( -5.363 10.976 7.651) 14.414 15.434 ( -1.339 -2.747 -0.395) 3.082 15.488 ( -5.817 -0.879 1.593) 6.095 15.561 ( 0.797 0.854 -5.322) 5.448 15.677 ( -2.119 2.315 -2.759) 4.179 15.783 ( 0.814 1.577 -0.784) 1.940 15.872 ( 1.561 8.172 4.041) 9.250 15.979 ( 0.785 3.056 0.017) 3.155 17.727 ( -0.119 3.508 4.258) 5.518 17.966 ( -1.641 -1.698 -1.790) 2.963 18.060 ( 1.524 1.759 0.931) 2.507 18.104 ( -2.830 1.344 -2.977) 4.323 18.928 ( -3.550 2.594 6.815) 8.110 18.976 ( -2.572 0.693 5.360) 5.986 19.108 ( -2.417 1.441 1.646) 3.260 19.257 ( -2.785 0.981 -3.744) 4.768 19.309 ( 5.493 1.017 -2.508) 6.123 19.483 ( 2.653 -4.490 -7.576) 9.197 19.707 ( -2.638 -5.268 6.129) 8.502 19.921 ( -2.226 3.878 0.730) 4.531 20.059 ( 0.517 -2.373 -2.184) 3.266 20.194 ( 3.045 -5.076 -3.651) 6.955 20.281 ( -0.594 -3.729 -5.114) 6.357 20.349 ( 0.556 -8.246 -5.473) 9.912 20.591 ( 1.534 6.698 3.901) 7.901 20.795 ( -3.421 5.598 -6.805) 9.452 21.224 ( 5.186 -0.608 3.455) 6.261 21.303 ( 1.383 -0.038 0.098) 1.387 21.490 ( -1.771 2.747 8.690) 9.284 21.605 ( 2.453 -2.171 1.700) 3.691 21.733 ( 1.018 4.047 -2.368) 4.798 21.932 ( 5.231 -0.818 -3.590) 6.397 23.146 ( 0.628 0.184 1.662) 1.786 23.177 ( -0.479 -0.680 0.355) 0.905 23.197 ( -1.935 0.405 -0.565) 2.056 23.236 ( -1.535 -0.745 -1.129) 2.046 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -27.997 11.413 -0.188) 30.235 1.545 ( -24.142 19.136 4.166) 31.086 1.761 ( -0.073 2.297 4.334) 4.906 2.074 ( -2.674 -1.614 -5.647) 6.454 2.189 ( 1.974 -1.271 -4.717) 5.269 2.281 ( -5.265 -3.616 -3.908) 7.488 2.294 ( -7.278 -0.184 4.537) 8.578 2.502 ( -19.586 7.055 4.930) 21.394 2.514 ( 3.988 3.244 0.542) 5.169 2.627 ( -0.594 -3.931 3.772) 5.480 2.759 ( -9.062 -1.600 -1.949) 9.407 2.803 ( -2.570 -0.136 3.645) 4.462 3.057 ( -1.032 -4.359 4.245) 6.171 3.100 ( 8.233 -0.350 -0.252) 8.244 3.153 ( -4.793 2.398 5.216) 7.479 3.217 ( -5.574 -6.589 -5.258) 10.106 3.341 ( -3.194 0.322 7.262) 7.939 3.363 ( -3.543 -2.465 -6.323) 7.655 3.409 ( 1.673 -3.081 -4.146) 5.430 3.438 ( 10.849 0.961 -0.347) 10.897 3.487 ( -4.107 1.314 0.253) 4.319 3.644 ( 4.673 -1.218 -2.612) 5.490 3.695 ( 10.201 1.906 0.979) 10.423 3.733 ( -1.364 1.776 -4.774) 5.273 3.866 ( 0.857 -0.997 -0.092) 1.318 3.905 ( 1.188 5.320 1.045) 5.550 3.941 ( 0.308 -0.358 3.414) 3.446 4.014 ( -3.540 2.821 1.233) 4.692 4.057 ( -3.050 -0.053 3.560) 4.688 4.107 ( -3.313 1.475 3.134) 4.793 4.169 ( -1.104 -0.084 -5.608) 5.716 4.204 ( -7.405 -1.267 1.959) 7.764 4.221 ( -0.784 -0.501 -2.107) 2.303 4.317 ( -5.786 3.889 4.428) 8.259 4.385 ( -1.541 -1.014 -1.796) 2.574 4.514 ( 1.948 -6.863 -4.203) 8.281 4.530 ( -2.149 3.808 -2.407) 4.992 4.560 ( -5.451 3.704 -4.897) 8.211 4.701 ( 4.129 4.455 -0.857) 6.134 4.707 ( -4.520 0.657 -0.086) 4.568 4.761 ( 1.627 8.562 -2.291) 9.011 4.786 ( -7.467 -0.895 4.265) 8.645 4.916 ( -7.119 4.010 1.423) 8.294 5.026 ( -4.055 -2.463 -1.306) 4.921 5.057 ( -4.812 -2.409 -3.333) 6.330 5.225 ( -10.974 -2.333 0.030) 11.219 5.256 ( -6.087 2.287 -7.286) 9.766 5.299 ( -0.024 -3.561 3.099) 4.721 5.416 ( -1.636 -11.651 5.732) 13.087 5.523 ( 0.644 1.246 4.058) 4.294 5.587 ( -6.034 2.427 -0.774) 6.549 5.748 ( 0.358 2.837 -3.985) 4.905 5.844 ( -2.040 -1.394 2.172) 3.290 5.884 ( 4.483 2.806 0.979) 5.379 5.968 ( 7.441 -2.066 4.539) 8.958 6.110 ( -4.314 2.943 1.509) 5.436 6.215 ( -1.202 -0.810 -3.461) 3.752 6.316 ( -5.066 -4.646 3.139) 7.557 6.329 ( -1.532 -4.762 -0.580) 5.036 6.439 ( 1.252 -2.324 0.756) 2.746 6.505 ( 8.797 1.568 -0.014) 8.935 6.633 ( 4.049 0.037 1.573) 4.344 6.663 ( 5.077 -2.441 -9.026) 10.640 6.695 ( 6.347 2.201 0.552) 6.741 6.726 ( 0.741 -0.231 -0.680) 1.032 6.761 ( 0.869 1.529 2.927) 3.415 6.869 ( -6.662 1.517 1.682) 7.036 6.963 ( 3.627 -1.522 -1.012) 4.062 7.025 ( 3.109 4.750 1.669) 5.917 7.075 ( 2.856 0.664 2.704) 3.989 7.244 ( 5.591 -2.833 -4.608) 7.779 7.260 ( 1.790 -3.429 0.833) 3.957 7.335 ( 3.050 -1.920 -5.481) 6.559 7.379 ( 7.912 -3.356 -4.365) 9.639 7.482 ( -0.301 -3.478 0.677) 3.556 7.570 ( 8.240 2.497 5.895) 10.435 7.623 ( 4.110 0.746 3.914) 5.724 7.687 ( -0.961 -1.622 5.559) 5.869 7.778 ( 4.679 4.605 0.674) 6.599 7.875 ( 0.308 5.365 -1.720) 5.642 8.109 ( 7.332 9.206 5.183) 12.860 8.195 ( -0.581 2.607 7.424) 7.890 8.251 ( -4.087 1.926 -4.797) 6.590 8.414 ( 3.645 -4.562 -2.064) 6.193 8.522 ( -1.382 -2.397 -1.182) 3.009 8.766 ( 5.386 5.955 1.331) 8.139 8.841 ( 0.830 -4.403 2.041) 4.924 8.875 ( 2.909 -1.477 3.982) 5.148 9.004 ( -2.294 0.007 -5.425) 5.890 9.055 ( -1.568 -0.320 -1.486) 2.184 9.091 ( 1.913 0.507 0.148) 1.985 9.136 ( 2.899 1.029 -1.782) 3.555 9.243 ( -2.447 -0.731 -0.876) 2.700 9.308 ( -2.588 -2.779 0.337) 3.813 9.412 ( -0.208 -0.959 0.099) 0.986 9.453 ( -1.074 -0.146 1.130) 1.566 9.521 ( 0.309 0.628 2.676) 2.766 9.611 ( -1.725 -0.066 0.048) 1.727 9.700 ( 9.177 -1.614 -0.521) 9.332 9.768 ( 2.765 5.364 -2.964) 6.724 9.821 ( -0.340 -0.431 -1.474) 1.573 9.847 ( 0.170 1.869 -3.341) 3.832 9.927 ( -0.154 0.427 -1.737) 1.796 9.997 ( -3.373 -0.779 -4.530) 5.701 10.251 ( -0.305 3.430 2.958) 4.539 10.336 ( -1.088 -1.111 1.791) 2.372 10.371 ( 4.719 2.358 4.351) 6.838 10.477 ( 0.996 1.334 -3.660) 4.020 10.515 ( 0.209 -1.751 -2.906) 3.399 10.540 ( 0.522 -0.511 5.750) 5.796 10.679 ( 3.580 -0.329 -3.162) 4.788 10.708 ( -3.650 -0.615 -2.752) 4.613 10.804 ( -2.115 -1.057 0.387) 2.396 10.845 ( -0.176 2.298 -0.878) 2.466 10.927 ( -3.593 -1.807 -0.019) 4.022 10.982 ( -0.328 -1.061 2.348) 2.597 11.069 ( -3.664 -2.697 1.660) 4.843 11.097 ( -0.423 -5.586 -0.133) 5.604 11.280 ( -0.296 -0.813 4.208) 4.296 11.398 ( 1.857 0.437 0.778) 2.060 11.429 ( -1.758 1.865 0.871) 2.707 11.478 ( 0.648 2.868 4.073) 5.023 11.498 ( -1.622 0.488 -2.151) 2.738 11.600 ( 1.934 1.295 -0.112) 2.330 11.642 ( -1.314 -4.285 0.077) 4.483 11.753 ( -1.920 -3.350 -4.546) 5.965 11.811 ( 2.156 -0.880 -1.490) 2.764 11.986 ( -3.892 9.056 -1.892) 10.036 12.109 ( 0.307 -9.266 -4.791) 10.436 12.207 ( -7.450 1.294 5.151) 9.149 12.313 ( 0.549 0.494 -4.024) 4.092 12.427 ( -0.601 1.576 3.107) 3.535 12.724 ( -2.632 -7.492 3.283) 8.593 12.822 ( -0.698 9.291 1.080) 9.379 12.936 ( 3.145 -8.351 -2.423) 9.247 13.405 ( 0.178 2.747 -8.430) 8.868 13.513 ( 5.789 2.413 4.713) 7.845 13.648 ( 3.191 -6.835 -15.430) 17.175 13.843 ( -3.460 1.168 6.285) 7.269 14.209 ( 1.339 -9.722 1.860) 9.989 14.300 ( 3.344 -8.126 -9.531) 12.964 14.370 ( 1.272 -9.005 -1.490) 9.216 14.674 ( 1.742 5.806 5.039) 7.882 14.700 ( -0.032 0.512 -0.078) 0.519 14.892 ( -4.878 4.268 15.941) 17.209 15.356 ( -7.237 2.349 1.097) 7.687 15.381 ( -4.496 -4.552 0.473) 6.415 15.538 ( -0.032 1.021 -3.366) 3.518 15.620 ( -1.819 1.618 -1.966) 3.129 15.786 ( 0.162 1.105 0.116) 1.123 15.955 ( 3.613 7.922 4.607) 9.850 16.012 ( 3.108 3.159 -0.599) 4.471 17.737 ( -1.559 0.684 3.127) 3.560 17.886 ( -5.078 -2.399 -0.835) 5.678 17.991 ( -5.995 0.306 -3.613) 7.006 18.078 ( -0.413 -1.343 -0.699) 1.569 18.780 ( -11.118 5.381 1.254) 12.415 18.955 ( -2.259 3.755 5.216) 6.813 19.114 ( -5.835 2.427 -1.958) 6.616 19.142 ( 0.125 -1.064 2.126) 2.381 19.339 ( -3.143 -5.751 -7.185) 9.725 19.479 ( 0.147 -3.953 -2.157) 4.506 19.716 ( 0.897 0.325 9.067) 9.117 19.927 ( 3.842 2.459 0.496) 4.589 20.084 ( 3.917 2.514 -1.260) 4.821 20.192 ( -2.597 -1.525 -6.835) 7.469 20.281 ( 1.880 -5.787 -2.388) 6.536 20.368 ( 5.447 -7.178 -3.322) 9.603 20.673 ( 4.989 8.055 1.603) 9.609 20.710 ( -0.137 5.127 -3.498) 6.208 21.271 ( 0.855 -2.426 0.748) 2.679 21.382 ( 2.608 -5.146 0.465) 5.788 21.576 ( 3.359 2.627 4.566) 6.247 21.680 ( 5.098 2.042 5.644) 7.875 21.805 ( 6.967 6.030 -2.059) 9.441 22.054 ( 8.828 1.633 -3.327) 9.574 23.107 ( -4.240 0.391 -1.655) 4.569 23.159 ( -0.760 0.228 1.885) 2.045 23.176 ( -2.150 -1.372 -0.526) 2.604 23.195 ( -1.069 -0.494 0.245) 1.203 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -21.611 21.082 2.778) 30.319 1.118 ( -23.743 24.012 10.374) 35.326 1.759 ( -33.993 30.503 22.189) 50.777 1.802 ( 3.087 -1.797 -2.486) 4.352 2.019 ( -2.705 -2.040 -1.157) 3.580 2.162 ( -0.509 -5.355 1.421) 5.564 2.206 ( -1.630 -0.947 -11.228) 11.385 2.324 ( -2.515 -0.096 3.862) 4.609 2.517 ( -1.251 2.930 0.352) 3.205 2.628 ( -3.827 -7.756 -0.258) 8.653 2.762 ( 1.304 -3.723 -3.175) 5.063 2.821 ( 5.821 -1.958 1.251) 6.267 2.980 ( -7.685 3.288 4.805) 9.642 3.046 ( -3.473 -4.654 -4.790) 7.527 3.112 ( -0.926 -1.052 -2.345) 2.732 3.195 ( -5.905 -5.742 -1.888) 8.450 3.242 ( -5.335 -4.222 2.257) 7.168 3.334 ( 3.461 4.522 5.005) 7.581 3.425 ( 3.993 -1.789 0.773) 4.443 3.524 ( -0.720 2.854 1.530) 3.317 3.598 ( 3.595 -0.811 0.655) 3.743 3.646 ( 2.849 -2.041 -0.303) 3.518 3.747 ( 3.625 3.534 -5.028) 7.136 3.761 ( -4.948 1.862 0.654) 5.327 3.809 ( -7.044 0.979 -0.273) 7.117 3.885 ( -2.138 3.919 1.131) 4.606 3.911 ( -5.090 3.302 -6.748) 9.075 3.949 ( -0.691 4.276 -3.903) 5.831 3.986 ( -0.245 6.239 -0.256) 6.249 4.093 ( -0.968 -2.356 -1.916) 3.187 4.163 ( 5.981 -2.313 -1.014) 6.492 4.226 ( -2.509 2.029 3.656) 4.876 4.251 ( -4.886 1.613 -1.994) 5.518 4.282 ( 4.924 -3.854 4.338) 7.610 4.349 ( 3.342 -0.240 2.832) 4.387 4.399 ( -0.039 -2.032 -2.470) 3.199 4.451 ( -2.757 4.444 0.979) 5.321 4.501 ( -9.567 -0.666 -2.805) 9.991 4.594 ( -6.842 3.346 -0.201) 7.619 4.674 ( 1.214 3.942 -4.490) 6.096 4.753 ( 4.573 -1.470 3.073) 5.702 4.844 ( -1.599 3.355 -2.503) 4.481 4.883 ( 1.056 0.446 2.887) 3.106 4.948 ( -1.308 -1.333 -2.004) 2.740 5.016 ( 3.024 -7.473 0.134) 8.063 5.098 ( -3.644 -1.851 2.450) 4.765 5.149 ( 0.537 2.927 -3.842) 4.860 5.272 ( -3.567 -0.225 3.378) 4.918 5.353 ( -6.738 -10.658 4.739) 13.471 5.423 ( -8.624 5.520 5.056) 11.420 5.546 ( -1.666 -13.022 -1.312) 13.193 5.738 ( -0.093 -6.455 -2.225) 6.828 5.873 ( -0.411 -2.657 -1.067) 2.892 5.920 ( 3.071 0.186 0.022) 3.077 6.016 ( -1.600 8.515 0.471) 8.677 6.121 ( 1.830 -4.232 7.231) 8.576 6.185 ( -1.898 0.357 -2.287) 2.993 6.211 ( -0.487 -6.133 -4.078) 7.381 6.296 ( -0.158 -8.052 -4.639) 9.294 6.437 ( -3.541 -5.057 -7.795) 9.944 6.546 ( 2.547 -0.692 1.413) 2.994 6.569 ( -4.843 -2.154 0.305) 5.310 6.754 ( -1.308 4.436 -0.478) 4.650 6.771 ( 6.117 2.252 -4.440) 7.887 6.805 ( -1.197 2.682 7.090) 7.674 6.889 ( 12.973 1.798 -1.967) 13.244 6.918 ( 5.354 1.766 4.666) 7.318 7.038 ( 2.192 2.766 2.243) 4.182 7.102 ( 3.999 0.561 0.366) 4.054 7.156 ( 4.041 1.246 0.843) 4.312 7.254 ( 1.221 -6.092 -2.934) 6.871 7.326 ( 0.089 -1.160 -3.328) 3.526 7.363 ( 4.932 -0.406 -2.860) 5.715 7.462 ( -1.289 -1.142 0.159) 1.729 7.533 ( 5.053 -3.029 0.086) 5.892 7.651 ( -1.923 0.148 4.848) 5.217 7.707 ( 1.267 0.648 5.038) 5.235 7.776 ( 5.613 2.623 9.790) 11.586 7.839 ( -2.617 9.083 2.471) 9.770 7.946 ( 6.737 0.914 1.588) 6.982 7.993 ( -9.174 9.502 -6.640) 14.783 8.180 ( 2.427 9.536 6.757) 11.937 8.352 ( -1.250 2.158 2.891) 3.818 8.462 ( 3.957 -3.573 -1.584) 5.562 8.545 ( 4.999 -3.318 0.190) 6.003 8.792 ( -3.239 3.718 -2.898) 5.719 8.868 ( -4.470 0.240 -6.417) 7.824 8.893 ( 4.696 -0.196 1.951) 5.089 8.996 ( 6.094 0.740 -0.947) 6.211 9.026 ( 0.934 -1.033 1.162) 1.814 9.136 ( -3.822 -3.155 -6.199) 7.936 9.180 ( 2.840 0.016 1.456) 3.192 9.251 ( 5.525 0.413 3.733) 6.681 9.271 ( -1.813 -1.734 -2.067) 3.250 9.410 ( -1.127 1.872 -0.980) 2.395 9.479 ( 1.526 3.005 1.206) 3.580 9.510 ( -1.346 -3.115 -0.545) 3.437 9.581 ( -0.441 -1.759 4.727) 5.063 9.730 ( -4.121 2.334 0.488) 4.761 9.784 ( -1.528 1.440 -0.044) 2.100 9.815 ( 1.823 0.921 -4.324) 4.782 9.846 ( 1.381 -2.774 0.291) 3.113 9.972 ( 5.850 -1.158 -2.845) 6.607 9.993 ( 3.360 1.453 -0.050) 3.661 10.252 ( 1.286 4.029 -0.887) 4.322 10.319 ( -2.358 -0.076 3.569) 4.279 10.423 ( -5.996 0.211 -2.083) 6.351 10.479 ( 1.712 1.428 -2.229) 3.152 10.514 ( -0.931 -0.533 1.865) 2.152 10.562 ( 3.516 -2.784 -2.738) 5.254 10.640 ( -3.396 -4.148 0.158) 5.363 10.724 ( -2.931 -0.068 0.964) 3.086 10.759 ( 3.177 -0.541 -3.586) 4.822 10.823 ( -2.202 0.570 0.764) 2.399 10.902 ( 1.407 -0.825 1.477) 2.200 10.977 ( -2.614 -3.773 0.937) 4.685 11.035 ( -1.547 -1.393 -1.159) 2.383 11.069 ( -0.521 -3.375 -0.264) 3.426 11.234 ( -4.784 -0.350 -0.434) 4.816 11.321 ( -6.845 -7.220 -4.700) 11.003 11.414 ( -2.818 -1.344 -1.621) 3.518 11.471 ( 1.604 0.848 -0.333) 1.845 11.515 ( 0.655 1.661 2.079) 2.740 11.617 ( 0.189 -4.524 -1.568) 4.792 11.646 ( -4.937 -0.207 -0.741) 4.997 11.677 ( 3.391 3.152 1.944) 5.022 11.856 ( 1.623 0.130 -1.665) 2.329 11.936 ( -2.344 7.949 0.771) 8.323 11.953 ( -8.661 -0.260 -3.070) 9.193 12.125 ( -2.641 -1.858 -4.310) 5.385 12.316 ( 0.123 -2.874 0.072) 2.877 12.436 ( 0.090 2.130 0.423) 2.174 12.675 ( -5.101 -12.356 6.179) 14.726 12.787 ( -2.060 13.995 -2.625) 14.387 12.977 ( 1.847 -10.687 -1.360) 10.931 13.353 ( -0.080 -1.527 -7.142) 7.304 13.611 ( 2.069 2.064 1.557) 3.311 13.619 ( 3.281 -3.269 -11.611) 12.501 13.806 ( -2.653 3.890 2.799) 5.477 14.219 ( 0.889 0.504 -11.867) 11.911 14.337 ( 4.234 -4.736 1.628) 6.558 14.411 ( 3.388 -9.642 1.233) 10.294 14.658 ( -2.290 3.554 -1.924) 4.645 14.739 ( 0.020 6.063 5.213) 7.996 14.938 ( -2.844 -4.776 18.875) 19.676 15.231 ( -6.030 3.111 3.819) 7.786 15.321 ( -1.264 -3.054 0.892) 3.423 15.528 ( 0.594 -0.806 -0.935) 1.370 15.591 ( -0.463 2.175 0.314) 2.246 15.812 ( 1.351 -0.757 4.792) 5.036 16.033 ( 2.787 3.112 -1.026) 4.302 16.109 ( 5.440 3.509 2.573) 6.966 17.679 ( -5.551 -2.798 -0.087) 6.217 17.803 ( -2.255 -0.494 -0.219) 2.318 17.863 ( -3.981 -0.496 -2.624) 4.794 18.001 ( -6.665 -5.553 -4.452) 9.751 18.570 ( -9.697 8.849 -0.699) 13.146 18.948 ( -2.386 1.515 -0.910) 2.969 18.983 ( -3.442 5.929 2.502) 7.298 19.145 ( -6.644 -3.996 -9.919) 12.589 19.152 ( -2.756 -4.178 0.046) 5.005 19.450 ( -1.668 2.197 -3.470) 4.433 19.852 ( 3.451 -3.260 6.173) 7.787 20.030 ( 4.760 -0.475 -1.271) 4.950 20.074 ( -1.899 -0.380 -6.598) 6.876 20.181 ( -1.105 -2.451 0.674) 2.772 20.375 ( 15.297 3.539 7.869) 17.562 20.450 ( 2.976 -0.447 -0.373) 3.032 20.688 ( 4.040 9.329 0.084) 10.166 20.907 ( 13.081 -0.042 2.727) 13.362 21.279 ( -2.366 -3.663 1.741) 4.696 21.377 ( -1.288 -7.722 -2.212) 8.136 21.633 ( 1.535 5.473 0.407) 5.699 21.805 ( 1.851 -0.614 1.821) 2.668 21.962 ( 7.808 7.929 3.588) 11.693 22.237 ( 12.872 6.340 -4.357) 14.995 23.024 ( -2.808 0.739 -0.565) 2.958 23.123 ( -2.554 -2.350 -0.257) 3.480 23.148 ( -1.019 0.105 0.528) 1.152 23.179 ( -1.118 -0.478 -0.063) 1.217 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -0.259 24.509 4.492) 24.918 1.372 ( 1.083 25.804 10.343) 27.821 1.632 ( 0.605 -12.113 -2.221) 12.330 1.804 ( -4.633 -13.087 3.052) 14.215 1.898 ( 5.210 -7.255 -0.310) 8.938 2.018 ( 2.191 -12.891 1.810) 13.200 2.384 ( 5.163 5.984 3.818) 8.778 2.485 ( -1.163 8.101 -4.316) 9.253 2.507 ( 1.050 -4.741 -0.282) 4.865 2.573 ( -0.349 6.469 1.318) 6.612 2.727 ( 3.935 15.247 -1.005) 15.779 2.808 ( -5.973 2.969 -2.416) 7.095 2.867 ( -7.118 -1.466 -4.188) 8.388 3.036 ( 0.695 0.122 3.679) 3.746 3.074 ( 2.155 2.317 7.165) 7.833 3.181 ( 2.133 3.589 0.785) 4.248 3.273 ( 1.101 20.235 3.477) 20.561 3.377 ( -1.038 -5.301 3.204) 6.281 3.396 ( -0.372 -8.679 3.569) 9.391 3.635 ( -1.452 2.328 2.194) 3.513 3.667 ( 4.260 5.033 -0.452) 6.609 3.696 ( -4.363 3.311 -0.518) 5.501 3.735 ( -3.286 0.311 -2.293) 4.019 3.749 ( 3.500 -0.783 1.744) 3.988 3.788 ( -0.054 1.868 -1.012) 2.125 3.843 ( 1.886 -1.142 -1.554) 2.697 3.923 ( -0.414 -6.914 -2.490) 7.360 3.954 ( -1.270 3.526 -1.450) 4.018 4.003 ( -4.401 1.276 -7.203) 8.537 4.060 ( -0.366 -4.426 -1.937) 4.845 4.093 ( -2.384 -11.264 1.720) 11.641 4.177 ( -0.214 -17.652 -0.689) 17.667 4.283 ( -0.275 1.221 3.011) 3.261 4.320 ( -0.210 2.437 0.136) 2.449 4.369 ( 0.662 0.116 0.386) 0.775 4.389 ( 0.637 4.859 -0.341) 4.913 4.445 ( 2.381 1.757 -2.284) 3.738 4.492 ( 4.943 0.985 -1.306) 5.206 4.536 ( 2.791 -1.528 0.732) 3.265 4.555 ( 1.298 -0.385 0.910) 1.632 4.673 ( -5.232 -0.187 -2.399) 5.759 4.728 ( 5.555 -4.931 -2.187) 7.743 4.949 ( 2.360 8.598 2.274) 9.201 5.043 ( 2.223 5.784 0.685) 6.235 5.061 ( -3.844 7.479 7.048) 10.972 5.158 ( -0.416 -5.199 4.382) 6.812 5.176 ( -0.113 0.722 -0.594) 0.942 5.215 ( 1.606 0.521 -1.764) 2.442 5.243 ( -2.640 -4.076 5.900) 7.642 5.368 ( 1.995 -9.041 10.177) 13.759 5.471 ( 0.473 4.484 1.815) 4.860 5.496 ( -4.324 -3.650 -3.729) 6.777 5.775 ( -3.015 -2.941 -4.474) 6.144 5.818 ( -3.285 -7.891 -6.798) 10.922 5.918 ( -1.520 -0.709 -4.860) 5.141 5.977 ( -3.006 -4.917 -3.190) 6.587 6.083 ( 3.212 -0.899 -7.819) 8.501 6.174 ( 7.844 -8.337 -3.468) 11.961 6.335 ( -1.552 5.672 4.764) 7.568 6.403 ( -1.117 7.011 -6.383) 9.547 6.449 ( -1.664 -5.211 1.311) 5.625 6.561 ( -2.628 -8.403 -9.610) 13.034 6.639 ( -0.403 5.132 -4.561) 6.877 6.742 ( -0.668 -5.133 -5.221) 7.352 6.902 ( 0.962 2.641 4.576) 5.371 6.924 ( 0.335 0.305 3.833) 3.859 7.074 ( -0.387 -0.844 -0.413) 1.016 7.089 ( 0.500 -1.120 -1.749) 2.136 7.126 ( 1.877 2.703 0.005) 3.290 7.206 ( -0.088 -4.184 3.104) 5.210 7.260 ( -1.247 4.240 1.284) 4.602 7.354 ( -0.196 -4.818 1.554) 5.066 7.390 ( -1.274 4.602 -2.232) 5.271 7.451 ( -1.910 -0.224 -1.184) 2.259 7.666 ( 5.590 6.650 5.297) 10.174 7.724 ( -4.735 4.350 6.746) 9.319 7.763 ( 5.895 -1.323 6.600) 8.948 7.815 ( -5.977 -2.959 9.282) 11.430 7.931 ( 1.374 6.371 -1.529) 6.695 8.044 ( 1.298 0.590 0.496) 1.510 8.148 ( 0.093 3.621 5.166) 6.310 8.168 ( -4.422 -1.306 6.257) 7.772 8.449 ( 3.263 0.578 3.360) 4.720 8.488 ( 5.106 -0.729 1.998) 5.531 8.685 ( -2.358 4.923 -5.422) 7.693 8.781 ( -0.495 -4.699 -5.145) 6.986 8.795 ( -2.833 4.176 -0.468) 5.068 8.906 ( 0.108 -5.885 -0.808) 5.941 8.977 ( -0.838 5.694 -2.676) 6.347 9.012 ( -3.941 3.483 -0.328) 5.270 9.102 ( 3.014 -3.078 -3.898) 5.809 9.165 ( -3.236 -6.665 -2.894) 7.955 9.335 ( 0.764 3.597 2.031) 4.201 9.346 ( 1.358 3.697 2.555) 4.695 9.404 ( 0.535 2.979 -0.507) 3.069 9.444 ( 1.047 -1.328 -0.593) 1.792 9.540 ( 1.088 0.672 1.947) 2.330 9.591 ( 3.037 -1.892 3.649) 5.110 9.734 ( 0.985 0.040 -2.198) 2.409 9.742 ( 1.331 -0.491 -1.302) 1.925 9.879 ( 2.248 1.595 6.924) 7.452 9.914 ( 0.231 0.440 -0.212) 0.540 9.987 ( 1.583 -0.343 -2.883) 3.307 10.049 ( 5.775 -5.685 -3.461) 8.812 10.160 ( -10.361 5.029 5.490) 12.759 10.250 ( -8.589 -3.697 5.518) 10.857 10.410 ( -2.036 2.865 -4.801) 5.950 10.455 ( 2.962 0.401 -5.177) 5.977 10.522 ( -4.049 2.312 -3.070) 5.583 10.562 ( 4.242 1.956 -2.498) 5.298 10.591 ( -0.211 -1.295 -3.128) 3.392 10.618 ( -0.104 -2.402 -0.644) 2.489 10.732 ( -1.591 -2.955 -0.607) 3.410 10.789 ( 1.741 -5.682 1.025) 6.031 10.855 ( 1.529 2.292 -0.601) 2.820 10.907 ( 1.363 -2.894 -0.716) 3.278 11.015 ( 0.844 6.479 0.089) 6.534 11.090 ( -3.059 -1.664 0.418) 3.508 11.179 ( 0.807 1.457 0.109) 1.670 11.251 ( 2.350 4.066 -3.879) 6.091 11.292 ( 1.354 -7.551 -1.275) 7.777 11.345 ( -2.224 -6.073 -2.669) 6.997 11.578 ( 0.952 2.745 -0.566) 2.960 11.613 ( 0.829 -0.191 1.618) 1.828 11.659 ( -0.325 2.072 2.650) 3.380 11.698 ( -0.731 -2.410 3.603) 4.396 11.882 ( -0.234 1.798 -1.783) 2.543 11.937 ( -1.958 -3.816 -3.613) 5.608 12.038 ( -0.120 7.875 3.233) 8.513 12.086 ( 1.941 4.450 0.876) 4.933 12.294 ( -0.804 0.634 2.832) 3.011 12.406 ( -1.036 -10.462 2.306) 10.763 12.542 ( 1.264 6.633 -0.093) 6.753 12.728 ( 0.706 -11.918 -2.597) 12.218 13.040 ( -0.033 12.646 -3.154) 13.033 13.233 ( 0.736 -7.601 -6.042) 9.738 13.604 ( -0.000 1.827 -3.363) 3.827 13.657 ( 2.180 -2.021 -5.185) 5.977 13.884 ( -2.677 9.635 3.568) 10.618 14.098 ( -0.846 -10.566 -2.875) 10.982 14.436 ( 3.406 1.051 3.364) 4.901 14.444 ( 5.863 1.537 0.315) 6.069 14.609 ( -3.558 -1.081 0.899) 3.826 14.634 ( -5.944 -4.475 1.869) 7.671 15.079 ( -1.817 9.135 10.087) 13.729 15.231 ( -0.288 -4.922 3.551) 6.076 15.321 ( 1.996 4.269 1.954) 5.102 15.431 ( 1.363 -6.340 -0.532) 6.507 15.740 ( 0.886 6.621 4.611) 8.116 15.837 ( 1.442 -3.488 4.941) 6.217 16.083 ( -0.866 1.693 -3.739) 4.195 16.108 ( -3.135 -0.980 -2.461) 4.104 17.695 ( 2.508 4.449 0.370) 5.121 17.775 ( 1.622 -3.600 -0.018) 3.949 17.789 ( -0.897 1.197 -1.292) 1.976 17.823 ( 0.138 -2.212 -1.080) 2.465 18.710 ( -0.574 12.498 -1.862) 12.649 18.862 ( -2.528 -3.123 -4.797) 6.257 18.977 ( -0.705 2.516 0.939) 2.776 19.043 ( -0.750 -4.161 -0.444) 4.252 19.153 ( 2.306 7.043 5.727) 9.366 19.360 ( 0.917 -11.758 9.078) 14.883 19.819 ( -4.269 7.441 -10.131) 13.275 19.979 ( -2.471 -7.800 -6.310) 10.332 20.112 ( 1.920 2.101 0.784) 2.953 20.139 ( 4.187 -0.498 0.827) 4.297 20.493 ( 0.381 1.050 1.304) 1.717 20.524 ( 0.630 -2.135 0.383) 2.259 20.944 ( 0.348 1.931 0.498) 2.024 21.018 ( -3.478 -5.321 -1.292) 6.487 21.179 ( 3.451 1.865 1.302) 4.133 21.245 ( 2.494 -5.050 0.177) 5.635 21.725 ( -2.038 3.636 -1.267) 4.357 21.770 ( -3.036 -1.143 -2.134) 3.883 22.238 ( 1.247 8.956 0.588) 9.061 22.381 ( 2.119 -5.417 -4.214) 7.183 23.032 ( 1.107 1.238 1.208) 2.053 23.057 ( 0.549 -1.367 1.133) 1.858 23.130 ( -1.087 0.650 -1.085) 1.668 23.145 ( -0.709 -0.842 -0.854) 1.394 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 10.520 20.399 5.018) 23.494 1.578 ( 5.559 2.898 2.218) 6.650 1.675 ( 9.690 8.353 0.391) 12.800 1.884 ( 8.591 -9.600 2.088) 13.051 2.056 ( 5.251 -8.267 -2.342) 10.070 2.118 ( 12.286 -9.517 0.569) 15.552 2.426 ( 1.640 5.062 -0.226) 5.326 2.495 ( -1.247 -2.481 3.098) 4.160 2.585 ( 5.000 0.928 -1.901) 5.429 2.622 ( 2.628 5.240 0.194) 5.865 2.651 ( -3.477 2.662 -1.113) 4.518 2.729 ( -2.933 -6.400 -2.514) 7.475 2.919 ( 7.975 9.097 1.101) 12.148 3.060 ( 2.833 -0.931 0.558) 3.034 3.155 ( -5.388 8.693 -0.457) 10.237 3.220 ( 3.554 4.049 3.857) 6.626 3.300 ( -0.369 13.295 8.647) 15.864 3.330 ( -3.569 0.336 -0.469) 3.616 3.388 ( -3.514 -6.330 0.620) 7.267 3.537 ( -1.526 -0.707 0.708) 1.825 3.581 ( -4.058 5.337 1.213) 6.813 3.669 ( -3.839 0.432 2.321) 4.507 3.696 ( -4.838 1.816 -7.172) 8.840 3.747 ( -5.908 -1.404 -2.131) 6.435 3.860 ( 6.276 -1.218 -0.292) 6.400 3.894 ( 5.796 -1.410 -2.688) 6.542 3.915 ( 2.632 4.368 -3.080) 5.958 3.931 ( 2.263 -0.012 3.200) 3.919 3.988 ( 4.491 -1.305 -1.986) 5.081 4.081 ( 2.934 -1.969 0.829) 3.629 4.145 ( 5.628 -1.726 1.587) 6.097 4.200 ( 0.874 -15.171 3.860) 15.678 4.264 ( -1.845 1.207 1.881) 2.899 4.304 ( 0.546 -2.835 2.072) 3.554 4.366 ( 2.024 5.816 -0.601) 6.187 4.446 ( 1.542 -4.466 0.509) 4.752 4.483 ( 3.467 2.134 0.801) 4.149 4.534 ( 4.177 -0.053 0.807) 4.255 4.603 ( 3.386 0.237 -2.257) 4.076 4.670 ( 8.236 -7.108 0.344) 10.885 4.755 ( 10.486 5.629 -1.631) 12.012 4.844 ( 5.409 -2.063 -1.705) 6.035 4.965 ( -0.031 10.882 -4.736) 11.868 4.986 ( -7.475 11.863 2.240) 14.200 5.050 ( 1.133 3.129 0.744) 3.410 5.094 ( -5.945 2.579 -0.965) 6.552 5.173 ( -2.393 -6.421 4.942) 8.449 5.248 ( 1.776 -9.150 5.346) 10.745 5.345 ( 7.484 0.792 4.871) 8.964 5.468 ( 2.262 0.756 1.076) 2.617 5.503 ( 4.878 1.064 -3.189) 5.925 5.520 ( 6.196 -12.477 -2.983) 14.246 5.716 ( -2.038 -4.879 -4.665) 7.051 5.729 ( 1.078 -4.628 -5.153) 7.009 5.926 ( 3.539 1.153 3.062) 4.820 6.021 ( 4.227 -5.682 0.735) 7.120 6.087 ( 2.872 2.986 -9.354) 10.230 6.246 ( -2.385 -2.031 -2.829) 4.221 6.265 ( 0.780 -3.841 -8.210) 9.098 6.341 ( -4.375 -3.018 -11.189) 12.387 6.423 ( 0.690 0.519 6.819) 6.874 6.458 ( -2.585 -1.780 8.394) 8.961 6.647 ( 3.571 1.276 -9.052) 9.814 6.702 ( 1.169 -4.611 -7.925) 9.243 6.875 ( -5.087 4.809 0.105) 7.001 6.953 ( -0.951 -1.256 2.139) 2.656 7.002 ( -4.341 0.524 1.802) 4.729 7.050 ( -4.793 -3.386 -1.591) 6.080 7.089 ( -2.798 5.984 4.194) 7.825 7.194 ( -1.307 -3.511 3.280) 4.979 7.254 ( -3.054 3.326 4.892) 6.657 7.308 ( -5.030 -1.463 2.085) 5.638 7.379 ( -1.568 2.323 -3.004) 4.108 7.439 ( 0.524 -3.720 -2.175) 4.341 7.652 ( -4.208 3.934 6.496) 8.682 7.731 ( -3.961 -2.420 6.874) 8.295 7.752 ( -4.178 11.508 4.479) 13.036 7.897 ( -1.361 -2.090 10.104) 10.407 7.943 ( -0.560 6.507 -2.171) 6.882 8.063 ( -2.843 9.584 2.267) 10.251 8.123 ( 1.026 -10.006 0.455) 10.069 8.170 ( -2.904 -1.403 3.568) 4.809 8.455 ( -5.363 4.137 -0.223) 6.777 8.546 ( -4.317 -4.993 0.557) 6.624 8.576 ( -6.279 7.030 0.254) 9.429 8.668 ( -1.051 -0.088 -3.200) 3.369 8.812 ( 3.118 1.209 -2.023) 3.908 8.844 ( -4.813 -0.199 -1.849) 5.160 8.881 ( 3.753 -0.349 -3.222) 4.959 8.982 ( -7.705 -6.690 -2.443) 10.493 9.079 ( 4.105 2.912 -1.692) 5.310 9.159 ( 2.199 -4.790 -1.456) 5.468 9.310 ( -3.032 4.965 1.768) 6.080 9.337 ( -4.656 2.236 1.335) 5.335 9.420 ( 0.151 1.451 0.194) 1.471 9.452 ( 0.115 -1.843 0.608) 1.944 9.625 ( 3.778 3.234 2.720) 5.668 9.646 ( -1.044 2.090 0.892) 2.500 9.722 ( -2.098 0.529 -3.265) 3.917 9.743 ( -0.103 -0.214 0.538) 0.588 9.920 ( 0.680 1.249 1.252) 1.894 9.967 ( 4.711 1.064 3.984) 6.261 10.013 ( -5.848 -4.708 -1.572) 7.670 10.038 ( 2.669 -0.118 0.220) 2.681 10.157 ( 3.795 -2.194 -0.199) 4.388 10.202 ( 4.682 -4.033 1.896) 6.464 10.349 ( -0.786 5.648 -3.642) 6.766 10.392 ( -5.156 4.554 -4.448) 8.192 10.449 ( -0.408 -3.157 -4.353) 5.392 10.516 ( -1.738 -4.696 -4.132) 6.492 10.635 ( 3.422 0.623 0.369) 3.498 10.682 ( 2.965 -1.501 0.529) 3.365 10.764 ( 3.591 0.880 0.689) 3.761 10.833 ( 0.310 -3.072 0.874) 3.209 10.904 ( 2.265 0.605 0.025) 2.345 10.936 ( 1.573 -1.877 -0.139) 2.453 11.036 ( 2.565 3.457 -0.052) 4.305 11.085 ( 3.286 -1.819 -0.736) 3.827 11.139 ( -3.590 2.359 2.598) 5.020 11.251 ( 0.946 -2.694 -1.426) 3.192 11.310 ( 1.289 0.067 -6.282) 6.414 11.396 ( 5.686 -6.492 -2.490) 8.982 11.577 ( -0.112 2.128 -1.089) 2.393 11.601 ( -2.025 0.247 -0.715) 2.161 11.671 ( -0.666 2.731 3.354) 4.376 11.716 ( -0.564 -1.701 4.686) 5.017 11.854 ( -2.233 -1.057 -3.754) 4.494 11.871 ( 0.142 -2.615 -1.716) 3.131 12.121 ( 4.392 7.406 3.694) 9.370 12.162 ( 4.953 5.560 0.482) 7.462 12.317 ( 1.609 0.101 2.987) 3.394 12.432 ( 1.737 -11.421 2.977) 11.930 12.581 ( 2.025 5.389 1.536) 5.958 12.738 ( 1.594 -10.221 -2.055) 10.547 13.025 ( 0.648 11.987 -3.317) 12.454 13.227 ( 3.311 -9.880 -8.246) 13.288 13.527 ( -4.932 5.508 -4.675) 8.748 13.653 ( 0.550 -5.732 -4.959) 7.599 13.866 ( -1.913 10.606 4.861) 11.822 14.067 ( -0.592 -8.470 -1.304) 8.590 14.358 ( -6.842 -0.524 0.862) 6.916 14.422 ( -9.181 -6.724 -0.153) 11.381 14.602 ( 3.510 5.340 2.795) 6.974 14.683 ( 3.104 -2.560 2.666) 4.827 15.111 ( -0.972 8.508 9.297) 12.640 15.265 ( 1.251 -5.661 4.134) 7.120 15.397 ( 4.463 2.955 0.878) 5.424 15.475 ( 3.293 -4.692 -1.050) 5.828 15.782 ( -0.157 6.887 5.190) 8.625 15.888 ( -0.123 -3.717 5.784) 6.877 16.007 ( -3.943 1.839 -3.528) 5.601 16.020 ( -2.201 0.453 -4.961) 5.446 17.714 ( 0.935 2.973 -0.969) 3.264 17.765 ( 1.330 -2.197 -0.895) 2.720 17.895 ( 8.478 1.954 -1.374) 8.808 17.942 ( 8.226 -2.481 0.588) 8.612 18.741 ( 4.368 9.848 -1.451) 10.870 18.816 ( 0.882 1.279 -5.177) 5.405 19.010 ( 3.004 1.415 1.664) 3.714 19.061 ( 3.357 -3.677 0.127) 4.981 19.257 ( 3.849 6.697 5.723) 9.613 19.443 ( 1.857 -8.020 6.381) 10.416 19.679 ( -3.676 6.557 -6.559) 9.976 19.885 ( -2.925 -11.123 -5.164) 12.607 20.124 ( -0.989 4.552 -1.533) 4.904 20.200 ( 1.046 -2.971 -0.655) 3.217 20.478 ( -2.165 0.749 1.185) 2.579 20.497 ( -2.734 -1.112 0.434) 2.983 20.826 ( -8.785 2.183 0.324) 9.058 20.923 ( -3.986 -7.895 3.003) 9.340 21.255 ( -1.209 0.183 -1.715) 2.107 21.283 ( 2.007 -2.841 -0.668) 3.542 21.657 ( -4.347 2.193 -0.375) 4.883 21.677 ( -3.598 -0.049 -0.613) 3.650 22.182 ( -7.022 7.525 0.787) 10.323 22.288 ( -8.173 -2.904 -2.353) 8.987 23.093 ( 3.116 0.853 1.158) 3.432 23.102 ( 1.919 0.521 -0.534) 2.059 23.119 ( 2.035 -0.541 0.602) 2.190 23.132 ( 0.471 -1.231 -1.158) 1.754 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 5.044 9.859 -3.701) 11.676 1.685 ( 14.547 10.568 4.028) 18.426 1.897 ( 8.191 -2.951 -1.850) 8.901 2.023 ( 5.583 -10.179 -1.749) 11.740 2.185 ( 7.530 5.875 7.670) 12.249 2.311 ( 3.098 -5.114 5.649) 8.225 2.415 ( -1.809 4.715 -0.261) 5.057 2.530 ( -1.745 -6.291 1.479) 6.694 2.565 ( -0.226 6.379 0.466) 6.400 2.651 ( 9.070 3.997 -8.126) 12.817 2.712 ( 6.944 -4.763 1.743) 8.599 2.803 ( 3.953 -6.970 5.179) 9.541 2.934 ( -10.366 2.537 -3.870) 11.352 3.007 ( 0.737 11.100 -1.339) 11.205 3.032 ( -8.739 -3.776 -1.099) 9.583 3.176 ( -0.386 1.301 -4.515) 4.715 3.215 ( -1.711 -6.820 -2.513) 7.467 3.254 ( -4.555 -6.738 -2.286) 8.448 3.385 ( -14.069 1.512 -5.673) 15.245 3.415 ( -8.688 -1.278 -5.640) 10.436 3.596 ( 6.188 5.319 5.999) 10.128 3.631 ( 3.179 0.948 2.032) 3.890 3.734 ( 5.422 3.894 2.453) 7.111 3.791 ( 2.368 -1.198 0.842) 2.785 3.942 ( 3.910 6.123 9.038) 11.596 3.965 ( 3.974 0.433 -0.591) 4.041 3.988 ( 8.092 1.672 1.108) 8.337 4.038 ( 5.484 0.188 3.797) 6.673 4.089 ( 2.249 -2.130 1.118) 3.293 4.144 ( 2.468 2.239 0.324) 3.348 4.200 ( 5.922 2.701 1.963) 6.799 4.325 ( 3.686 2.147 -2.376) 4.883 4.335 ( 6.238 -1.322 2.567) 6.874 4.381 ( 2.032 -3.611 -0.240) 4.150 4.414 ( 4.739 0.521 4.176) 6.339 4.489 ( 5.551 -6.269 0.093) 8.374 4.552 ( 4.899 6.498 1.218) 8.228 4.632 ( 1.512 1.209 -4.022) 4.463 4.684 ( -1.445 -2.685 -3.186) 4.410 4.746 ( 4.435 -4.075 2.343) 6.463 4.823 ( -1.482 8.609 1.315) 8.834 4.904 ( 4.150 -3.518 5.267) 7.572 4.939 ( -2.794 6.824 2.565) 7.807 5.000 ( 5.891 -1.118 -1.033) 6.084 5.066 ( 7.210 10.599 -4.924) 13.732 5.105 ( 3.778 2.421 -0.333) 4.499 5.223 ( 5.873 -3.787 3.000) 7.604 5.292 ( -1.550 -7.726 7.126) 10.625 5.450 ( 1.754 2.803 -16.145) 16.480 5.461 ( 2.504 -0.676 -12.186) 12.459 5.567 ( 2.688 -5.106 -2.442) 6.265 5.603 ( 5.312 -4.848 -3.115) 7.837 5.714 ( 3.685 2.031 8.902) 9.847 5.811 ( 6.466 -3.379 2.309) 7.652 5.913 ( -5.252 -0.392 -2.396) 5.786 6.066 ( 1.397 -7.875 -0.646) 8.024 6.176 ( -0.030 0.636 -6.357) 6.389 6.182 ( 3.921 -1.840 -1.715) 4.659 6.248 ( 2.867 0.991 1.805) 3.530 6.287 ( 0.486 0.573 -1.910) 2.053 6.466 ( 0.634 1.686 9.245) 9.419 6.487 ( -0.238 -0.361 3.933) 3.956 6.630 ( -0.331 -0.176 -7.560) 7.570 6.655 ( -0.124 -2.743 -4.601) 5.358 6.819 ( -0.579 1.701 0.660) 1.914 6.900 ( -3.639 -5.136 1.678) 6.514 6.949 ( -1.912 1.469 -0.894) 2.571 6.972 ( -0.024 -1.439 -1.467) 2.055 7.088 ( -3.398 3.170 3.810) 6.009 7.140 ( -2.771 -2.242 0.327) 3.579 7.211 ( -7.273 1.155 3.150) 8.010 7.227 ( -5.505 -0.688 2.439) 6.061 7.291 ( -2.638 2.488 -3.139) 4.796 7.355 ( -5.388 -3.575 -5.257) 8.334 7.584 ( -5.917 4.015 3.015) 7.760 7.647 ( -8.869 -1.418 4.720) 10.146 7.700 ( -3.938 5.463 6.741) 9.529 7.793 ( -7.933 -1.675 7.357) 10.949 7.921 ( -9.351 7.480 0.088) 11.975 8.014 ( -11.216 -0.183 -4.273) 12.004 8.023 ( 1.073 4.004 2.515) 4.849 8.143 ( -3.577 -5.938 -0.044) 6.932 8.293 ( -8.753 2.555 0.268) 9.122 8.358 ( -4.776 -4.378 0.747) 6.522 8.604 ( 1.948 3.833 -0.788) 4.371 8.686 ( 3.176 1.311 -2.394) 4.188 8.736 ( -3.343 -3.770 1.377) 5.223 8.802 ( -2.791 -3.674 0.155) 4.616 8.925 ( 2.706 2.455 -1.527) 3.960 8.964 ( 2.879 -1.244 -2.440) 3.974 9.172 ( 1.809 1.957 -3.650) 4.519 9.177 ( 2.894 1.023 -1.243) 3.312 9.272 ( -0.792 1.493 2.590) 3.093 9.280 ( 0.417 0.039 0.097) 0.430 9.401 ( -0.545 1.748 2.167) 2.837 9.462 ( -1.274 -2.008 1.770) 2.965 9.566 ( -4.422 1.767 2.317) 5.296 9.613 ( -4.570 -2.488 0.259) 5.210 9.724 ( 2.733 3.000 -2.091) 4.565 9.766 ( 1.016 0.621 -0.152) 1.200 9.865 ( -2.929 -0.034 -2.962) 4.166 9.892 ( -3.217 -1.127 -3.871) 5.158 10.118 ( 2.183 0.690 3.792) 4.429 10.135 ( 1.645 -0.705 2.011) 2.692 10.232 ( 5.612 4.347 -4.433) 8.369 10.260 ( 3.177 0.712 -1.227) 3.480 10.287 ( -1.820 3.603 -0.791) 4.114 10.380 ( 1.453 -2.351 3.034) 4.104 10.420 ( 2.377 0.218 -4.132) 4.772 10.487 ( 1.102 -5.874 -2.690) 6.554 10.672 ( -1.793 0.189 -0.549) 1.885 10.721 ( 0.472 -2.725 -0.963) 2.929 10.820 ( 1.973 1.026 1.478) 2.670 10.860 ( 2.547 -2.323 2.898) 4.504 10.926 ( 1.678 1.355 0.449) 2.203 10.956 ( 0.813 -1.426 0.448) 1.702 11.081 ( -2.129 2.306 3.364) 4.601 11.115 ( 1.224 -0.785 2.640) 3.014 11.190 ( 5.072 1.320 -0.732) 5.292 11.244 ( 0.250 -3.199 -4.816) 5.787 11.331 ( 4.869 4.249 -3.902) 7.549 11.456 ( 3.461 -7.334 -4.654) 9.350 11.555 ( -1.649 2.544 -1.143) 3.240 11.583 ( 1.098 -0.712 0.004) 1.309 11.646 ( -3.800 3.373 3.069) 5.936 11.711 ( -2.692 -2.205 2.820) 4.479 11.833 ( 1.610 -0.807 -1.760) 2.518 11.870 ( 0.695 -4.574 -1.485) 4.859 12.206 ( 1.830 9.706 3.467) 10.468 12.273 ( 5.636 4.419 -0.781) 7.205 12.391 ( 3.349 0.046 3.129) 4.584 12.492 ( 1.854 -11.951 3.187) 12.507 12.624 ( 0.163 3.632 3.679) 5.172 12.753 ( 0.396 -8.572 -0.072) 8.582 13.032 ( 2.634 12.901 -4.014) 13.765 13.259 ( 5.530 -11.031 -9.649) 15.664 13.387 ( -4.904 9.649 -5.242) 12.026 13.616 ( -1.248 -12.023 -3.780) 12.665 13.864 ( -1.542 11.408 4.455) 12.343 14.065 ( 0.349 -7.352 0.649) 7.389 14.243 ( -7.265 -5.517 -1.513) 9.247 14.254 ( -4.178 -4.973 -0.355) 6.505 14.653 ( -0.204 4.842 2.929) 5.663 14.716 ( -1.812 -1.318 4.161) 4.726 15.156 ( -0.190 8.603 7.294) 11.281 15.317 ( 1.168 -7.061 3.910) 8.156 15.488 ( 4.285 1.888 -0.464) 4.706 15.533 ( 3.572 -2.257 -3.266) 5.340 15.786 ( -1.437 6.023 1.571) 6.389 15.878 ( -3.118 -2.948 0.522) 4.323 15.950 ( -0.545 3.552 -0.065) 3.594 15.981 ( 0.693 0.494 -0.743) 1.130 17.746 ( 2.635 4.337 -0.335) 5.085 17.824 ( 4.717 -3.657 -0.766) 6.017 18.026 ( 5.500 3.715 -1.562) 6.819 18.084 ( 5.564 -1.925 -0.387) 5.900 18.825 ( 3.171 4.219 -1.693) 5.543 18.833 ( 4.037 3.155 -0.396) 5.139 19.104 ( 5.531 3.885 1.697) 6.969 19.178 ( 7.645 -3.041 -0.647) 8.253 19.335 ( 0.987 3.355 1.266) 3.719 19.470 ( -3.111 -6.228 2.387) 7.360 19.617 ( 0.300 5.515 -1.438) 5.708 19.830 ( 0.344 -12.081 -2.071) 12.262 20.069 ( -2.621 4.035 -1.752) 5.120 20.168 ( -2.377 -5.934 -1.184) 6.501 20.427 ( -3.465 0.676 -1.336) 3.775 20.443 ( -3.403 -0.991 -0.675) 3.608 20.708 ( -3.824 7.902 1.866) 8.975 20.883 ( -2.421 -10.030 2.409) 10.595 21.185 ( -1.977 4.316 -2.796) 5.510 21.273 ( -1.129 -4.929 -1.406) 5.248 21.578 ( -3.952 3.483 2.886) 6.007 21.628 ( -3.107 -1.950 2.777) 4.601 22.007 ( -10.105 5.879 -0.036) 11.690 22.085 ( -10.245 -2.022 -2.030) 10.638 23.105 ( 1.134 1.127 -1.118) 1.950 23.129 ( 0.813 -1.323 -0.852) 1.771 23.182 ( 3.374 0.544 1.158) 3.608 23.196 ( 3.161 -0.861 0.705) 3.351 ======================= Grid point 52 (30/54) ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 4.600 10.131 -0.948) 11.167 1.891 ( 4.007 -4.397 1.253) 6.079 2.006 ( 5.592 1.927 0.523) 5.938 2.104 ( 1.930 -5.029 3.670) 6.518 2.348 ( 2.603 2.512 6.683) 7.599 2.368 ( -2.383 1.897 5.103) 5.943 2.448 ( 1.087 0.407 3.189) 3.393 2.492 ( -3.103 -2.507 -1.005) 4.114 2.637 ( -2.313 1.666 0.200) 2.857 2.656 ( 3.872 -0.482 6.084) 7.227 2.741 ( -3.081 2.772 0.016) 4.145 2.808 ( -2.787 -3.302 -1.344) 4.525 2.891 ( 2.607 3.398 -2.059) 4.753 2.924 ( 1.284 -0.143 1.100) 1.696 3.018 ( -4.501 5.444 -3.203) 7.756 3.082 ( -1.347 -1.628 -5.592) 5.977 3.188 ( 7.654 2.140 -2.148) 8.233 3.223 ( 3.010 -1.365 3.012) 4.472 3.272 ( -3.090 -6.822 -0.764) 7.529 3.303 ( 6.939 -7.474 -5.118) 11.411 3.616 ( -1.276 -0.581 0.385) 1.454 3.643 ( -1.608 -3.113 1.856) 3.965 3.791 ( -0.493 2.414 0.154) 2.468 3.820 ( -0.656 -0.165 -1.387) 1.543 3.945 ( -5.886 3.132 -1.345) 6.801 3.986 ( -1.884 -0.495 -2.148) 2.900 4.111 ( 4.873 -0.688 0.729) 4.975 4.115 ( -0.299 1.685 -2.009) 2.639 4.157 ( 0.164 -1.734 2.658) 3.178 4.203 ( -1.006 -1.816 -2.298) 3.097 4.304 ( 2.566 5.959 -0.388) 6.500 4.372 ( -1.486 0.076 -1.054) 1.823 4.411 ( 5.809 2.706 2.560) 6.901 4.466 ( 1.711 0.769 -0.254) 1.893 4.501 ( 3.083 2.721 1.446) 4.359 4.553 ( -3.117 0.629 -5.018) 5.941 4.601 ( 2.559 -2.941 -0.220) 3.904 4.653 ( 6.059 -3.178 -2.925) 7.441 4.755 ( 5.281 10.163 7.551) 13.718 4.781 ( -0.600 7.996 -0.571) 8.039 4.855 ( -0.917 4.749 -0.963) 4.932 4.936 ( -0.735 -2.625 2.223) 3.517 4.988 ( 3.759 -3.311 5.704) 7.592 5.046 ( -0.766 -3.679 4.701) 6.019 5.122 ( -4.440 3.993 -2.157) 6.349 5.242 ( 8.027 -4.421 2.551) 9.512 5.322 ( -0.218 1.569 5.069) 5.310 5.335 ( 3.273 2.774 -9.639) 10.551 5.367 ( 4.582 -6.010 -2.984) 8.125 5.447 ( 5.310 -1.677 -3.513) 6.584 5.608 ( 4.545 9.011 -3.074) 10.550 5.750 ( -4.849 4.404 1.437) 6.706 5.812 ( 3.974 1.351 4.685) 6.290 5.829 ( 4.053 -6.574 0.616) 7.748 5.936 ( 5.807 -2.846 -1.698) 6.686 5.999 ( -0.208 -3.843 -2.338) 4.503 6.138 ( -4.530 3.176 -1.453) 5.720 6.227 ( 1.135 8.964 0.835) 9.074 6.258 ( -0.320 -6.982 0.721) 7.027 6.365 ( 4.204 -4.215 5.126) 7.856 6.540 ( 2.891 3.565 1.509) 4.831 6.566 ( 0.306 1.525 2.712) 3.127 6.600 ( -0.936 -0.357 -4.886) 4.988 6.635 ( 4.290 -3.433 0.840) 5.559 6.802 ( -1.160 0.208 -0.066) 1.180 6.868 ( -3.970 -3.075 -4.132) 6.503 6.913 ( -4.054 2.532 8.424) 9.685 6.982 ( 0.578 -1.380 -3.763) 4.050 7.027 ( -3.890 0.092 -5.059) 6.383 7.058 ( -3.739 -2.024 -2.894) 5.143 7.097 ( 2.813 -1.555 -2.538) 4.096 7.122 ( -1.798 -2.989 2.190) 4.119 7.244 ( 0.916 0.903 -2.364) 2.691 7.281 ( -1.621 -2.768 -3.080) 4.447 7.528 ( -2.445 0.271 7.341) 7.742 7.532 ( -4.805 0.041 7.511) 8.916 7.580 ( -14.459 4.210 -0.627) 15.073 7.619 ( -10.006 0.385 -0.098) 10.014 7.796 ( -1.313 2.300 -3.881) 4.698 7.843 ( -1.716 -0.560 0.155) 1.812 7.974 ( -5.309 -0.293 1.319) 5.478 8.032 ( -2.879 -4.770 1.694) 5.823 8.228 ( -0.027 5.661 5.021) 7.567 8.348 ( 0.144 -6.321 0.194) 6.325 8.624 ( 0.684 3.489 1.842) 4.004 8.703 ( -2.351 -3.013 2.221) 4.420 8.741 ( 2.872 3.506 -0.895) 4.619 8.786 ( 0.687 -0.229 -0.804) 1.081 8.980 ( 3.190 0.309 1.057) 3.375 9.006 ( 2.448 -1.798 1.226) 3.275 9.120 ( -1.655 1.322 -3.265) 3.892 9.146 ( -1.835 -1.286 -4.758) 5.259 9.319 ( 1.825 4.501 3.693) 6.102 9.387 ( -3.159 2.019 2.850) 4.710 9.393 ( 6.300 -0.371 0.647) 6.344 9.436 ( -1.992 -2.916 2.599) 4.385 9.519 ( -2.735 -0.881 0.091) 2.875 9.559 ( -1.419 -3.377 -1.043) 3.809 9.738 ( 1.555 4.205 -3.245) 5.534 9.776 ( 0.813 0.094 -0.757) 1.115 9.822 ( 0.749 0.450 -3.958) 4.053 9.832 ( -0.231 0.103 -4.359) 4.366 10.069 ( -3.754 3.883 -1.163) 5.525 10.119 ( -2.465 -1.149 -3.137) 4.152 10.252 ( -0.801 2.713 3.028) 4.144 10.301 ( 1.849 0.971 -2.203) 3.035 10.341 ( 3.854 2.213 1.198) 4.603 10.438 ( 2.738 -4.858 -0.188) 5.579 10.493 ( 2.919 -0.449 -1.710) 3.413 10.513 ( 0.572 -1.978 0.074) 2.060 10.607 ( -1.265 2.970 0.479) 3.264 10.685 ( -0.982 -4.072 -2.369) 4.812 10.868 ( 1.478 1.118 1.940) 2.683 10.914 ( -0.298 -2.909 3.824) 4.814 10.971 ( 0.436 1.685 -0.635) 1.853 10.991 ( 2.800 -0.425 0.201) 2.840 11.068 ( -2.089 1.625 5.178) 5.815 11.115 ( -3.241 -1.727 4.002) 5.432 11.223 ( 1.976 1.210 -4.787) 5.319 11.249 ( 3.469 -0.955 -4.107) 5.460 11.435 ( 5.220 3.729 1.334) 6.552 11.503 ( 2.591 -2.960 -0.694) 3.995 11.526 ( -0.973 4.486 -0.367) 4.605 11.591 ( -0.912 -0.659 1.253) 1.684 11.603 ( -1.655 0.513 3.792) 4.169 11.678 ( -0.365 -3.199 -0.386) 3.242 11.847 ( -0.201 -1.792 -0.744) 1.950 11.878 ( 1.436 -5.411 -2.145) 5.995 12.244 ( 0.402 11.085 2.098) 11.289 12.345 ( 2.521 3.268 -2.184) 4.669 12.450 ( 0.239 -0.442 1.465) 1.549 12.528 ( 0.254 -9.017 1.478) 9.140 12.616 ( -3.934 1.298 4.852) 6.380 12.740 ( -2.085 -8.380 0.333) 8.642 13.070 ( 3.574 16.246 -5.122) 17.405 13.298 ( 3.049 4.324 -0.729) 5.341 13.353 ( 5.959 -4.841 -8.971) 11.808 13.570 ( -1.390 -14.440 -2.033) 14.649 13.854 ( -1.521 8.809 1.657) 9.092 14.053 ( -1.892 -11.581 -2.172) 11.933 14.144 ( -1.736 -0.321 0.824) 1.948 14.207 ( -1.079 -6.731 0.764) 6.860 14.650 ( -1.057 3.086 2.250) 3.962 14.688 ( -2.816 -0.856 3.560) 4.619 15.177 ( -2.220 9.947 5.646) 11.651 15.349 ( -0.622 -7.439 3.275) 8.151 15.537 ( 1.184 1.207 -1.850) 2.507 15.563 ( 2.010 -0.962 -4.440) 4.968 15.770 ( -0.351 3.690 -1.113) 3.870 15.818 ( -1.835 -0.755 -1.708) 2.618 15.961 ( 0.489 4.493 2.072) 4.972 16.002 ( 0.808 0.208 0.947) 1.262 17.798 ( 1.759 6.128 1.866) 6.643 17.906 ( 2.897 -4.820 0.377) 5.636 18.090 ( 2.283 4.296 -1.933) 5.235 18.144 ( 1.394 -1.158 -1.981) 2.684 18.892 ( 3.346 1.951 3.019) 4.911 18.915 ( 3.567 -0.152 2.742) 4.502 19.212 ( 2.222 6.275 2.672) 7.173 19.293 ( 3.441 0.419 -2.743) 4.420 19.310 ( -2.371 -1.547 -1.780) 3.344 19.396 ( -1.569 -6.371 -0.979) 6.634 19.652 ( 2.010 5.530 1.360) 6.039 19.855 ( 1.834 -13.004 -0.407) 13.139 20.029 ( -0.444 4.887 -1.013) 5.010 20.129 ( -0.972 -5.478 -2.214) 5.988 20.321 ( -4.392 0.013 -5.616) 7.130 20.336 ( -4.505 -1.742 -5.466) 7.294 20.693 ( -0.068 8.772 4.240) 9.743 20.852 ( -1.833 -7.257 1.550) 7.644 21.186 ( 2.646 4.961 -0.749) 5.673 21.268 ( 0.909 -3.560 -0.188) 3.679 21.534 ( -2.936 2.733 4.746) 6.214 21.580 ( -3.659 -1.998 3.640) 5.535 21.842 ( -4.806 4.183 -1.856) 6.636 21.907 ( -4.891 -2.503 -3.116) 6.316 23.128 ( 1.297 0.850 0.296) 1.578 23.147 ( 0.995 -1.035 0.330) 1.473 23.226 ( 0.616 0.407 -0.111) 0.747 23.237 ( 0.741 -0.674 -0.301) 1.046 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 1.325 7.466 3.469) 8.338 1.918 ( -2.556 -4.045 3.380) 5.858 2.100 ( 2.831 2.137 1.444) 3.830 2.119 ( -17.976 8.126 -2.431) 19.876 2.189 ( 2.553 -4.257 6.952) 8.542 2.309 ( -13.576 -6.664 1.265) 15.176 2.378 ( -7.165 3.769 -2.176) 8.383 2.437 ( 0.278 -0.351 2.619) 2.657 2.592 ( -4.446 0.593 2.765) 5.269 2.646 ( 0.018 -4.109 -0.259) 4.117 2.777 ( -3.251 6.089 -0.973) 6.971 2.876 ( 2.242 -4.493 1.603) 5.271 2.905 ( 9.957 4.123 1.989) 10.959 2.994 ( 7.162 0.697 0.637) 7.224 3.071 ( 6.789 -1.477 -2.534) 7.395 3.147 ( 4.160 -6.011 3.546) 8.125 3.266 ( 3.610 2.484 2.726) 5.161 3.303 ( 4.609 -0.775 3.792) 6.018 3.413 ( 9.982 1.486 -0.512) 10.105 3.468 ( 8.954 -3.676 -2.417) 9.976 3.567 ( -4.340 2.339 -2.073) 5.348 3.648 ( 2.255 -2.538 0.479) 3.429 3.717 ( -4.444 0.516 -8.793) 9.866 3.767 ( -0.677 -2.251 1.048) 2.574 3.839 ( -4.561 2.444 -1.254) 5.324 3.913 ( -5.395 -2.560 -0.263) 5.978 3.970 ( -9.833 7.886 -2.323) 12.817 4.083 ( -4.436 -2.896 -2.813) 5.998 4.105 ( -3.493 0.193 0.590) 3.548 4.183 ( -2.074 -5.737 -0.688) 6.139 4.316 ( -3.971 5.135 -0.143) 6.493 4.331 ( -0.157 3.949 -2.180) 4.514 4.387 ( -3.378 -0.450 -0.107) 3.410 4.414 ( -7.264 -1.239 -3.579) 8.193 4.435 ( -7.951 4.624 1.086) 9.261 4.571 ( -1.903 8.092 -1.277) 8.411 4.602 ( -2.883 -7.715 1.502) 8.372 4.670 ( 0.291 6.646 0.895) 6.712 4.705 ( -0.464 2.319 -4.396) 4.992 4.764 ( -2.966 -0.148 -2.168) 3.677 4.844 ( 1.102 -1.477 -2.237) 2.898 4.872 ( -2.998 -2.544 -2.071) 4.444 5.031 ( -2.404 4.739 -2.267) 5.777 5.054 ( -4.583 -0.374 2.742) 5.353 5.164 ( 2.822 -3.202 5.433) 6.909 5.254 ( 0.480 -8.642 5.620) 10.319 5.345 ( -1.884 2.534 3.533) 4.739 5.390 ( -8.541 -1.666 6.552) 10.893 5.401 ( -2.557 5.598 -5.415) 8.198 5.487 ( -4.325 -2.565 -3.733) 6.263 5.626 ( 5.129 2.313 3.589) 6.674 5.684 ( 6.274 -1.278 2.618) 6.917 5.855 ( -4.812 4.514 3.562) 7.498 5.961 ( -3.012 -5.089 0.336) 5.923 5.997 ( 2.870 5.893 0.838) 6.608 6.066 ( 7.968 -1.619 -1.642) 8.295 6.161 ( 7.603 5.075 6.447) 11.186 6.238 ( 6.771 -0.080 -1.699) 6.981 6.326 ( -4.793 0.755 2.391) 5.409 6.371 ( 2.571 -0.325 -0.956) 2.762 6.496 ( -5.706 -1.520 -2.592) 6.449 6.537 ( -3.512 -3.276 1.652) 5.079 6.627 ( -0.022 7.204 1.706) 7.404 6.714 ( 5.937 0.037 0.475) 5.956 6.744 ( -4.085 4.380 -4.633) 7.572 6.795 ( 0.273 -2.657 -5.580) 6.186 6.832 ( -0.035 -5.598 0.377) 5.611 6.917 ( -2.400 -10.437 -3.078) 11.143 6.999 ( -0.103 1.396 -0.259) 1.424 7.038 ( -2.003 -1.780 -3.342) 4.284 7.184 ( 4.572 1.182 1.531) 4.964 7.206 ( 7.563 1.942 0.358) 7.816 7.263 ( 3.535 2.235 -0.771) 4.253 7.332 ( 4.255 -1.881 1.618) 4.926 7.363 ( -1.147 0.723 -3.671) 3.913 7.415 ( -3.735 -3.351 -5.979) 7.806 7.559 ( 1.774 1.940 5.994) 6.545 7.598 ( 2.238 -1.774 6.456) 7.060 7.790 ( 0.228 0.043 -1.227) 1.249 7.811 ( 4.289 -1.860 -2.366) 5.239 8.032 ( 8.408 5.864 3.607) 10.867 8.124 ( 8.798 -3.884 0.525) 9.632 8.267 ( -0.637 4.076 6.480) 7.682 8.345 ( -0.420 -3.923 1.741) 4.313 8.643 ( -4.277 1.239 1.256) 4.626 8.657 ( 0.346 -1.480 1.091) 1.871 8.779 ( 2.018 2.397 0.297) 3.147 8.798 ( 0.314 -0.643 1.227) 1.420 9.047 ( 1.387 -0.280 1.354) 1.958 9.060 ( 2.328 -1.495 2.493) 3.724 9.092 ( 0.341 2.084 -4.556) 5.022 9.118 ( 2.369 -0.159 -3.641) 4.347 9.338 ( -3.333 0.691 1.386) 3.675 9.367 ( -2.355 -1.715 2.325) 3.727 9.383 ( -4.193 2.324 -0.084) 4.795 9.435 ( -2.209 -4.216 3.036) 5.646 9.484 ( 1.703 1.406 0.886) 2.380 9.522 ( -0.052 -2.036 -0.945) 2.245 9.743 ( -0.394 3.372 -2.403) 4.159 9.782 ( 0.891 -1.206 -2.981) 3.337 9.836 ( 4.831 3.569 -5.138) 7.904 9.865 ( 3.793 0.959 -1.133) 4.074 9.993 ( -2.970 1.702 -3.059) 4.591 10.038 ( -2.305 -2.763 -5.809) 6.833 10.279 ( 1.564 4.207 3.000) 5.399 10.333 ( 0.806 0.456 3.003) 3.143 10.388 ( -1.966 1.541 -0.340) 2.521 10.437 ( -0.276 -3.620 1.812) 4.057 10.470 ( 0.880 1.282 -1.536) 2.185 10.526 ( 1.792 -3.547 -2.576) 4.736 10.639 ( 1.659 2.861 -0.280) 3.319 10.697 ( 1.420 -2.932 -1.031) 3.416 10.896 ( -1.866 1.452 1.913) 3.042 10.906 ( -0.905 -0.612 3.901) 4.051 10.952 ( -1.081 1.572 -1.632) 2.511 10.991 ( -3.328 1.041 0.138) 3.490 11.026 ( -3.029 -2.693 1.756) 4.417 11.065 ( -3.987 -3.639 2.358) 5.891 11.271 ( 3.675 3.411 -0.582) 5.048 11.319 ( 5.528 -1.113 -2.302) 6.091 11.492 ( -0.178 1.527 1.198) 1.949 11.515 ( -1.500 2.970 2.267) 4.026 11.523 ( -0.690 0.468 2.562) 2.694 11.574 ( -1.980 -3.860 -0.504) 4.367 11.629 ( 1.812 3.818 3.446) 5.453 11.720 ( 4.098 -2.726 0.002) 4.922 11.807 ( -2.798 0.080 -2.167) 3.540 11.898 ( 1.803 -8.025 -1.663) 8.392 12.249 ( -0.685 11.444 -0.165) 11.466 12.338 ( -2.269 2.708 -1.303) 3.766 12.397 ( -5.873 -0.499 0.676) 5.933 12.528 ( -0.266 0.662 -0.763) 1.044 12.550 ( -5.297 -6.159 5.900) 10.039 12.708 ( -0.066 -9.809 -0.814) 9.843 13.100 ( 2.541 17.521 -4.318) 18.223 13.408 ( 6.003 -2.923 0.077) 6.677 13.425 ( 6.491 -3.062 -6.390) 9.609 13.525 ( -2.003 -6.968 -2.659) 7.722 13.847 ( 0.533 4.177 1.936) 4.634 14.007 ( -0.252 -11.872 -3.169) 12.291 14.144 ( 0.767 -0.276 0.483) 0.947 14.210 ( 0.124 -6.446 1.277) 6.573 14.660 ( 0.537 1.243 2.544) 2.882 14.676 ( -0.037 -0.059 3.006) 3.007 15.138 ( -4.934 10.903 4.925) 12.941 15.325 ( -3.736 -8.320 2.849) 9.554 15.514 ( -2.095 2.543 -2.371) 4.059 15.554 ( -0.157 -1.327 -4.100) 4.312 15.743 ( -1.299 3.751 -1.881) 4.392 15.792 ( -0.041 -1.031 -1.835) 2.105 15.994 ( 1.537 4.047 2.603) 5.051 16.023 ( 0.931 0.811 0.940) 1.552 17.822 ( -1.101 5.888 2.749) 6.591 17.919 ( -2.042 -3.739 0.518) 4.292 18.091 ( -1.177 1.532 -1.592) 2.503 18.114 ( -2.735 -0.547 -2.869) 4.002 18.971 ( 0.252 1.684 5.489) 5.747 18.990 ( 1.224 0.044 6.088) 6.210 19.163 ( -5.472 4.661 -1.387) 7.321 19.265 ( 0.268 -4.535 -4.169) 6.166 19.305 ( -2.197 3.123 -1.255) 4.019 19.395 ( -0.243 -5.168 -0.733) 5.225 19.698 ( 2.013 5.814 3.440) 7.049 19.875 ( 0.166 -9.998 0.587) 10.017 20.038 ( 2.825 2.417 -0.816) 3.806 20.098 ( 1.851 -3.779 -3.674) 5.586 20.234 ( -0.271 -0.805 -8.031) 8.076 20.251 ( -0.217 -2.478 -6.554) 7.010 20.735 ( 0.671 7.150 4.946) 8.720 20.829 ( -1.562 -2.036 0.606) 2.637 21.235 ( 1.641 1.737 0.246) 2.402 21.277 ( 0.376 -2.266 -0.417) 2.335 21.540 ( 0.755 2.136 5.517) 5.964 21.572 ( 1.642 -1.468 3.440) 4.084 21.820 ( 4.008 4.766 -2.782) 6.820 21.897 ( 5.675 -3.035 -3.285) 7.225 23.152 ( 0.392 0.494 1.287) 1.433 23.164 ( 0.056 -0.694 0.842) 1.093 23.206 ( -2.093 0.580 -0.840) 2.329 23.220 ( -1.869 -0.879 -0.998) 2.294 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -19.679 16.898 -2.866) 26.097 1.804 ( -9.260 3.558 2.592) 10.253 1.831 ( -5.879 5.547 4.837) 9.420 2.021 ( -7.841 -12.305 -0.922) 14.620 2.119 ( -12.459 5.296 -0.267) 13.541 2.226 ( 1.313 3.681 -2.692) 4.745 2.320 ( 4.500 -3.988 -0.763) 6.061 2.383 ( -8.741 -15.523 1.913) 17.917 2.573 ( 0.991 3.508 0.668) 3.706 2.620 ( -1.221 -0.110 -0.218) 1.245 2.746 ( -2.705 7.799 4.094) 9.214 2.896 ( 2.048 -6.486 2.281) 7.174 3.001 ( -5.313 3.852 -0.834) 6.615 3.083 ( 1.056 -3.861 -0.189) 4.007 3.173 ( 3.045 4.982 0.931) 5.913 3.273 ( 2.568 3.995 2.747) 5.486 3.307 ( -5.385 -2.796 -2.199) 6.454 3.345 ( 1.508 -0.663 -3.001) 3.424 3.424 ( -9.683 9.266 0.653) 13.419 3.460 ( -0.253 2.082 1.285) 2.460 3.541 ( 0.690 3.654 0.034) 3.719 3.614 ( 4.095 -2.460 -1.986) 5.173 3.700 ( 2.096 -0.443 0.421) 2.183 3.773 ( 0.926 0.193 -8.420) 8.473 3.843 ( 5.550 -0.402 1.318) 5.719 3.871 ( 7.424 -3.020 3.993) 8.954 3.957 ( -0.421 2.054 3.838) 4.373 4.046 ( -2.814 -4.313 6.659) 8.418 4.085 ( 1.210 0.813 4.055) 4.309 4.105 ( -2.664 0.091 1.911) 3.280 4.175 ( -7.032 1.753 -6.645) 9.833 4.224 ( -4.029 4.063 -6.559) 8.704 4.268 ( -5.067 -1.601 -1.846) 5.625 4.306 ( -4.623 0.722 1.194) 4.829 4.338 ( -1.483 -6.522 -4.601) 8.118 4.449 ( -10.097 -4.951 1.644) 11.365 4.528 ( -5.362 -1.220 -1.596) 5.725 4.595 ( -4.763 -4.040 -2.025) 6.565 4.667 ( -2.523 2.399 -1.339) 3.731 4.717 ( -4.005 -1.121 -3.668) 5.545 4.824 ( 3.675 5.672 2.159) 7.095 4.902 ( -4.128 5.877 -1.378) 7.313 4.960 ( 0.272 -2.845 2.274) 3.652 4.999 ( 0.104 4.773 0.360) 4.787 5.102 ( -9.218 5.144 -2.826) 10.929 5.164 ( -9.224 -5.654 -2.053) 11.012 5.246 ( -6.190 0.344 3.238) 6.995 5.271 ( -3.568 -1.838 6.219) 7.401 5.309 ( -3.272 1.058 -1.630) 3.805 5.412 ( -5.425 -8.903 2.420) 10.703 5.679 ( -6.995 5.115 2.057) 8.906 5.772 ( -0.844 -4.748 5.052) 6.984 5.829 ( -0.625 4.784 -0.555) 4.857 5.930 ( 1.939 -3.659 2.707) 4.948 6.038 ( 1.807 10.697 -2.819) 11.209 6.154 ( -0.535 2.173 3.404) 4.073 6.199 ( -3.906 -3.880 2.074) 5.883 6.225 ( -3.212 -4.826 -3.567) 6.807 6.311 ( -5.172 5.767 -0.694) 7.778 6.404 ( 1.151 -0.313 1.453) 1.880 6.470 ( 0.120 -6.136 -0.969) 6.214 6.506 ( 7.771 -7.742 -1.269) 11.043 6.715 ( 8.335 4.606 -0.424) 9.532 6.718 ( -0.888 2.313 -6.913) 7.344 6.743 ( 3.042 0.740 -4.739) 5.680 6.807 ( 2.097 3.817 0.675) 4.408 6.845 ( 0.705 -4.268 0.906) 4.420 6.947 ( 4.934 -8.069 2.351) 9.746 6.969 ( 1.287 1.176 -1.871) 2.558 7.029 ( 3.641 -4.090 0.284) 5.483 7.256 ( 1.778 5.254 -0.579) 5.577 7.330 ( 5.085 0.149 -5.571) 7.545 7.337 ( 5.518 -0.815 -3.315) 6.489 7.380 ( 2.903 5.805 5.698) 8.637 7.385 ( 3.283 -2.168 1.408) 4.178 7.538 ( 6.505 -5.389 5.659) 10.168 7.651 ( 3.865 2.092 3.067) 5.359 7.681 ( 5.657 -0.049 1.833) 5.947 7.864 ( 6.611 4.183 0.724) 7.856 7.925 ( 5.100 -1.049 0.237) 5.212 8.257 ( 8.312 3.185 0.823) 8.939 8.264 ( 3.434 2.544 -2.293) 4.851 8.292 ( 2.840 4.222 3.049) 5.932 8.354 ( -0.243 -1.876 5.249) 5.579 8.521 ( -6.333 4.230 -2.076) 7.894 8.686 ( 2.246 -10.074 0.726) 10.346 8.834 ( 3.312 1.704 2.980) 4.770 8.863 ( 5.175 -1.281 2.165) 5.754 9.021 ( -5.360 1.935 -1.512) 5.896 9.056 ( -5.000 -0.849 -0.290) 5.080 9.102 ( 2.473 1.603 -1.786) 3.446 9.140 ( 3.211 -1.070 -5.330) 6.313 9.244 ( -1.960 1.414 -0.833) 2.556 9.278 ( -3.063 -1.410 0.066) 3.372 9.399 ( 1.989 0.104 2.647) 3.312 9.422 ( 0.023 -2.136 1.460) 2.587 9.536 ( 1.491 1.563 2.732) 3.482 9.585 ( 2.585 -3.005 2.432) 4.651 9.716 ( 1.441 3.289 -3.749) 5.191 9.782 ( 1.117 -2.940 -3.972) 5.066 9.882 ( 0.834 4.597 -0.973) 4.772 9.890 ( -4.001 2.336 -3.313) 5.695 9.928 ( -0.348 -0.377 -0.748) 0.907 9.966 ( 0.604 -2.382 -3.492) 4.270 10.315 ( 0.346 2.189 1.565) 2.713 10.329 ( -1.345 0.153 1.141) 1.771 10.421 ( 5.080 2.970 4.268) 7.270 10.476 ( 2.308 -1.826 -0.511) 2.987 10.516 ( 0.391 1.131 -4.320) 4.483 10.526 ( 1.799 -0.326 2.519) 3.113 10.649 ( 0.742 -1.544 -3.256) 3.679 10.665 ( -3.886 -2.865 -2.039) 5.241 10.835 ( -4.727 3.844 3.222) 6.892 10.897 ( -5.950 -0.128 4.033) 7.189 10.907 ( -0.197 1.783 -0.756) 1.946 10.942 ( -1.119 -1.409 0.768) 1.956 11.005 ( -0.471 -3.469 -1.800) 3.937 11.013 ( 0.238 -3.965 0.551) 4.010 11.294 ( -3.219 3.185 1.655) 4.821 11.374 ( -1.980 -3.536 -1.861) 4.460 11.470 ( -0.744 2.073 1.210) 2.513 11.495 ( -1.270 -0.697 -1.212) 1.889 11.511 ( 0.096 0.581 -2.246) 2.322 11.533 ( -1.147 -3.041 -1.354) 3.521 11.670 ( -0.150 3.200 3.195) 4.525 11.716 ( -3.678 -1.336 0.939) 4.025 11.813 ( 3.949 2.221 -0.865) 4.613 11.924 ( 1.703 -8.903 -1.432) 9.176 12.187 ( -4.467 9.739 -2.495) 11.001 12.255 ( -8.780 3.161 5.111) 10.639 12.303 ( -1.313 0.246 0.901) 1.611 12.492 ( -4.253 -13.588 4.188) 14.841 12.525 ( 0.638 8.576 -1.024) 8.660 12.723 ( 1.634 -11.534 -1.064) 11.697 13.103 ( 0.164 16.023 -3.691) 16.443 13.394 ( -3.527 -12.172 -6.511) 14.248 13.518 ( 6.270 1.551 -7.757) 10.094 13.547 ( 4.331 0.425 1.265) 4.532 13.899 ( 0.890 4.614 5.501) 7.235 14.026 ( 4.285 -8.743 -0.767) 9.767 14.186 ( 4.719 -2.765 -2.885) 6.184 14.217 ( 0.421 -5.752 0.033) 5.768 14.692 ( 0.592 1.231 3.381) 3.646 14.721 ( 1.462 -0.700 3.598) 3.946 15.068 ( -5.254 10.934 6.570) 13.795 15.257 ( -4.473 -8.483 3.058) 10.066 15.430 ( -4.937 4.443 -1.606) 6.833 15.504 ( -2.341 -3.151 -3.492) 5.254 15.711 ( -0.857 5.335 -0.733) 5.453 15.783 ( 0.137 -1.896 -1.319) 2.314 16.050 ( 2.045 2.575 1.875) 3.785 16.063 ( 2.972 1.247 1.107) 3.408 17.783 ( -4.061 3.686 0.717) 5.531 17.847 ( -4.604 -2.527 -0.367) 5.264 17.999 ( -5.908 1.099 -2.488) 6.504 18.037 ( -4.455 -2.531 -0.778) 5.183 18.923 ( -6.362 8.778 0.786) 10.870 19.031 ( -2.577 3.093 3.904) 5.608 19.075 ( -1.257 -3.050 1.306) 3.548 19.181 ( -6.487 -8.612 -4.441) 11.661 19.212 ( -5.140 5.494 -2.252) 7.853 19.350 ( -4.065 -8.146 2.840) 9.536 19.802 ( 5.191 6.574 4.862) 9.685 19.911 ( 3.406 -3.920 2.140) 5.617 20.140 ( 8.274 2.713 -6.033) 10.593 20.168 ( -0.436 -0.179 -8.980) 8.992 20.213 ( 0.853 -2.406 -2.147) 3.335 20.237 ( 10.591 -4.938 0.964) 11.725 20.778 ( 1.624 4.205 3.557) 5.742 20.805 ( -0.043 2.120 -0.011) 2.120 21.243 ( -0.056 0.116 -0.721) 0.733 21.287 ( 0.391 -4.225 -1.573) 4.525 21.633 ( 4.534 2.842 3.998) 6.680 21.675 ( 5.277 -1.549 4.847) 7.331 21.946 ( 9.796 7.234 -2.309) 12.395 22.047 ( 10.958 -2.884 -3.175) 11.767 23.120 ( -3.674 1.023 -1.367) 4.051 23.145 ( -2.774 -1.499 -0.937) 3.289 23.169 ( -1.219 0.551 1.362) 1.909 23.182 ( -1.000 -0.765 0.917) 1.557 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -11.567 23.716 -1.108) 26.410 1.544 ( -16.977 19.266 4.164) 26.014 1.719 ( -8.989 -6.868 -2.847) 11.666 1.871 ( -4.096 -3.660 4.336) 6.998 1.984 ( -0.783 -9.336 3.141) 9.881 2.032 ( -17.978 -17.727 -0.331) 25.250 2.280 ( 3.943 8.088 -0.627) 9.020 2.453 ( 4.540 -5.449 -2.573) 7.544 2.585 ( -2.031 10.671 5.171) 12.031 2.606 ( -4.159 2.411 -2.227) 5.298 2.694 ( -0.321 15.964 1.150) 16.009 2.911 ( 0.198 -0.173 -3.371) 3.382 2.993 ( 0.507 -2.515 7.212) 7.655 3.007 ( -5.415 -4.858 -2.247) 7.614 3.067 ( -5.266 6.010 -1.443) 8.120 3.181 ( -2.562 -0.910 -3.799) 4.672 3.266 ( -3.472 15.181 4.449) 16.196 3.355 ( -1.872 -3.878 2.156) 4.815 3.378 ( -0.796 -4.541 2.247) 5.129 3.506 ( 7.349 3.604 2.890) 8.681 3.638 ( 0.029 2.614 2.592) 3.681 3.666 ( 5.687 0.471 0.268) 5.713 3.764 ( 3.427 -2.035 0.346) 4.000 3.788 ( 3.007 -0.751 -5.221) 6.072 3.864 ( -7.782 2.835 -0.886) 8.330 3.921 ( -5.650 0.269 -1.437) 5.836 3.922 ( -1.787 -3.121 -1.911) 4.072 3.965 ( -3.312 2.847 -2.638) 5.102 4.036 ( 2.565 -4.884 0.558) 5.545 4.132 ( -5.407 -13.387 1.816) 14.551 4.182 ( 3.822 3.903 -0.035) 5.463 4.195 ( 2.148 1.308 -1.583) 2.972 4.248 ( -5.814 -8.064 0.916) 9.983 4.266 ( 3.738 -1.251 2.363) 4.596 4.300 ( 6.966 0.165 0.189) 6.970 4.359 ( 1.181 -2.595 -2.783) 3.984 4.405 ( -3.332 3.307 -2.227) 5.196 4.505 ( -2.867 -4.214 -2.728) 5.781 4.567 ( -6.066 2.982 2.196) 7.107 4.624 ( -6.112 -2.660 0.784) 6.711 4.719 ( -4.406 3.333 -3.056) 6.313 4.875 ( -9.040 -3.949 -5.205) 11.154 4.896 ( -0.779 9.540 0.614) 9.591 5.012 ( 0.237 5.251 2.172) 5.687 5.073 ( 2.550 1.898 3.750) 4.916 5.091 ( 2.921 1.491 2.850) 4.345 5.172 ( -2.779 -0.698 2.949) 4.112 5.223 ( -1.734 1.846 -0.367) 2.559 5.290 ( -3.147 -6.233 2.062) 7.281 5.302 ( -3.600 -9.109 6.589) 11.805 5.544 ( -7.844 6.831 2.550) 10.709 5.648 ( -8.122 -1.851 -1.240) 8.422 5.823 ( -1.220 -1.164 0.571) 1.781 5.929 ( -3.893 -9.698 -0.358) 10.456 6.002 ( -1.466 6.718 -8.808) 11.174 6.092 ( -1.671 -3.178 -3.453) 4.981 6.119 ( -2.675 -5.886 -5.763) 8.661 6.152 ( -5.179 -6.430 -4.177) 9.253 6.286 ( 2.196 10.382 3.522) 11.181 6.416 ( 0.691 1.836 -1.907) 2.736 6.463 ( 1.470 -1.704 -0.166) 2.256 6.620 ( 0.396 -1.705 -4.980) 5.279 6.680 ( 0.516 -3.505 -5.500) 6.542 6.760 ( 0.772 -4.855 -0.535) 4.945 6.841 ( 5.258 0.896 3.813) 6.556 6.850 ( 2.346 0.610 2.317) 3.354 6.962 ( 8.812 1.904 0.912) 9.061 7.023 ( 5.947 -3.159 -1.134) 6.828 7.091 ( 3.492 -1.361 1.389) 3.997 7.126 ( 4.171 -2.623 1.149) 5.059 7.278 ( 0.932 5.433 0.609) 5.545 7.375 ( 2.914 2.641 -3.161) 5.046 7.393 ( -1.167 -4.230 1.898) 4.781 7.436 ( 3.814 -1.314 0.126) 4.036 7.509 ( 5.382 7.143 3.376) 9.560 7.631 ( 2.153 -3.293 4.356) 5.870 7.741 ( 1.343 4.019 5.249) 6.746 7.807 ( 2.037 -0.757 6.026) 6.406 7.978 ( 0.961 3.307 2.132) 4.050 7.998 ( 3.081 3.139 0.723) 4.457 8.160 ( -7.671 7.311 -0.778) 10.625 8.247 ( -5.295 -1.158 5.095) 7.439 8.363 ( 2.221 -1.042 -2.198) 3.294 8.407 ( 2.185 -2.946 0.304) 3.681 8.608 ( 13.377 9.099 0.502) 16.186 8.762 ( 3.660 -5.759 -2.211) 7.173 8.862 ( -5.696 0.973 -0.723) 5.824 8.919 ( -2.685 0.562 0.406) 2.773 8.940 ( 1.244 -2.646 2.179) 3.646 9.006 ( 6.204 -3.085 -3.162) 7.616 9.130 ( 0.089 2.091 -2.765) 3.468 9.173 ( 2.859 -0.883 -3.529) 4.627 9.264 ( 3.266 1.558 1.193) 3.811 9.280 ( 2.633 0.415 1.140) 2.899 9.431 ( -0.280 0.737 0.027) 0.789 9.458 ( 0.044 -1.834 0.441) 1.887 9.541 ( -1.913 2.454 0.759) 3.203 9.564 ( -2.580 -0.414 3.127) 4.075 9.735 ( -0.840 -0.317 -2.080) 2.265 9.763 ( -1.404 -2.661 -2.703) 4.044 9.829 ( 0.064 3.419 1.958) 3.941 9.898 ( 0.597 -0.888 2.269) 2.509 9.927 ( 6.025 2.153 -3.011) 7.071 10.000 ( 0.890 -2.316 -1.549) 2.925 10.311 ( -2.797 1.924 2.474) 4.201 10.330 ( -2.204 0.171 3.317) 3.986 10.454 ( -2.753 2.603 -2.679) 4.641 10.472 ( -2.037 -0.601 -3.096) 3.755 10.523 ( 1.330 1.078 -1.791) 2.478 10.553 ( 2.267 0.766 1.153) 2.657 10.582 ( -1.263 -0.899 -3.728) 4.037 10.671 ( 1.323 -6.354 -0.024) 6.490 10.755 ( -3.984 3.240 1.017) 5.235 10.840 ( -1.593 0.101 2.192) 2.711 10.875 ( -4.740 -4.266 -1.051) 6.463 10.911 ( -1.648 -3.972 0.132) 4.302 10.989 ( 1.271 4.827 -1.022) 5.095 11.086 ( 5.655 -2.416 0.033) 6.149 11.183 ( -6.418 0.669 0.003) 6.453 11.262 ( -3.556 -2.795 -3.941) 5.999 11.387 ( -5.489 -0.401 -3.657) 6.608 11.433 ( -4.140 -3.767 -2.323) 6.060 11.544 ( 2.984 1.259 -1.220) 3.461 11.559 ( 3.136 -0.559 0.405) 3.212 11.667 ( -2.157 1.363 3.282) 4.157 11.688 ( -0.518 -0.847 2.926) 3.090 11.872 ( 2.374 2.191 -0.613) 3.288 11.944 ( 1.363 -3.977 -1.804) 4.575 12.096 ( -3.313 6.185 -0.080) 7.017 12.116 ( -7.502 3.563 3.191) 8.897 12.298 ( -1.104 1.463 2.805) 3.350 12.437 ( -3.453 -11.293 2.906) 12.161 12.531 ( 0.468 7.716 -0.805) 7.772 12.736 ( 0.431 -12.739 -1.823) 12.876 13.069 ( -0.722 14.110 -3.625) 14.586 13.286 ( -2.417 -7.566 -6.290) 10.132 13.585 ( 4.619 0.852 -6.373) 7.917 13.624 ( 3.472 -1.695 -1.363) 4.097 13.913 ( -2.256 8.358 4.255) 9.646 14.112 ( 2.024 -11.053 -1.347) 11.317 14.274 ( 6.901 -0.370 0.608) 6.938 14.302 ( 8.411 -2.531 -1.441) 8.901 14.690 ( -3.411 1.412 1.626) 4.034 14.731 ( -3.774 -2.737 4.267) 6.320 15.048 ( -1.930 10.128 9.655) 14.125 15.220 ( -1.400 -7.376 4.276) 8.641 15.329 ( -3.781 6.034 -0.093) 7.121 15.441 ( -1.535 -5.586 -2.201) 6.197 15.707 ( 0.170 6.196 1.785) 6.450 15.790 ( 0.902 -2.473 1.376) 2.971 16.090 ( 1.544 2.658 -0.922) 3.209 16.126 ( 1.890 -0.910 0.352) 2.127 17.697 ( -3.085 3.430 -1.401) 4.821 17.768 ( -2.114 -3.277 -1.146) 4.065 17.871 ( -5.565 1.657 -0.873) 5.871 17.920 ( -6.608 -3.337 -0.447) 7.417 18.787 ( -5.644 12.421 -2.160) 13.813 18.973 ( -5.250 -2.893 -1.875) 6.281 19.019 ( -4.012 -1.819 -0.911) 4.498 19.073 ( -1.910 -3.821 0.980) 4.383 19.124 ( -2.394 6.719 1.531) 7.295 19.316 ( -2.218 -11.740 7.632) 14.177 19.904 ( 2.042 5.867 -2.049) 6.541 20.003 ( 3.704 -3.410 0.202) 5.038 20.081 ( -0.170 1.028 -6.037) 6.126 20.118 ( -1.544 -3.109 -5.599) 6.588 20.406 ( 9.396 1.186 3.544) 10.112 20.434 ( 7.248 -1.472 0.806) 7.440 20.839 ( 5.561 6.354 0.194) 8.446 20.909 ( 8.495 -0.872 2.359) 8.859 21.223 ( -2.217 -1.459 -0.472) 2.696 21.252 ( -2.097 -4.703 -2.927) 5.923 21.724 ( 2.364 3.986 1.203) 4.788 21.781 ( 2.287 -2.033 1.671) 3.487 22.132 ( 8.814 8.651 -0.330) 12.354 22.256 ( 11.522 -3.646 -3.370) 12.546 23.045 ( -2.649 1.496 -0.421) 3.071 23.079 ( -2.695 -2.077 -0.266) 3.413 23.154 ( -1.130 0.526 0.476) 1.334 23.167 ( -1.151 -0.740 0.213) 1.385 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -6.319 0.000 28.768) 29.454 1.201 ( 2.414 0.000 26.272) 26.383 1.500 ( 3.367 0.000 0.512) 3.405 1.688 ( -1.287 0.000 -22.241) 22.279 1.776 ( 5.201 0.000 -3.165) 6.088 1.837 ( -2.575 0.000 -7.168) 7.617 2.403 ( 0.970 0.000 6.226) 6.301 2.468 ( 1.703 0.000 -2.327) 2.883 2.635 ( 0.860 0.000 12.571) 12.601 2.787 ( -2.555 0.000 -4.363) 5.056 2.804 ( 3.671 0.000 5.409) 6.537 2.846 ( 3.248 0.000 8.180) 8.801 2.854 ( -3.170 0.000 -2.370) 3.958 2.966 ( 3.875 0.000 6.151) 7.270 3.049 ( -3.560 0.000 -8.216) 8.954 3.183 ( -6.214 0.000 7.973) 10.108 3.248 ( -3.113 0.000 -7.192) 7.837 3.290 ( 2.450 0.000 -10.265) 10.553 3.356 ( 2.574 0.000 1.810) 3.147 3.397 ( -1.472 0.000 -0.937) 1.745 3.561 ( 0.559 0.000 -2.869) 2.923 3.597 ( -0.242 0.000 -3.803) 3.811 3.656 ( -0.270 0.000 2.592) 2.606 3.715 ( 0.581 0.000 -3.542) 3.589 3.725 ( -9.818 0.000 -1.906) 10.001 3.758 ( 6.673 0.000 -4.524) 8.062 3.880 ( 3.259 0.000 2.921) 4.376 3.908 ( -3.519 0.000 2.715) 4.444 3.977 ( 1.875 0.000 -2.841) 3.404 4.000 ( -1.486 0.000 -7.417) 7.564 4.071 ( 8.659 0.000 1.127) 8.732 4.072 ( 7.642 0.000 1.036) 7.712 4.140 ( -10.807 0.000 -5.882) 12.304 4.153 ( -5.491 0.000 -6.308) 8.363 4.473 ( 3.430 0.000 2.997) 4.555 4.488 ( -4.524 0.000 2.359) 5.102 4.522 ( 0.343 0.000 4.480) 4.493 4.563 ( -0.547 0.000 0.214) 0.587 4.583 ( 6.466 0.000 2.146) 6.813 4.664 ( 0.944 0.000 -3.060) 3.202 4.750 ( -4.790 0.000 -2.200) 5.271 4.794 ( 1.750 0.000 -3.247) 3.688 4.895 ( 3.533 0.000 0.976) 3.665 4.932 ( -3.000 0.000 -3.313) 4.470 5.045 ( 0.901 0.000 8.487) 8.534 5.103 ( 1.755 0.000 7.536) 7.738 5.216 ( -1.429 0.000 -3.969) 4.219 5.242 ( -1.820 0.000 -4.011) 4.405 5.449 ( 2.661 0.000 0.190) 2.668 5.474 ( -4.104 0.000 0.863) 4.194 5.648 ( 6.697 0.000 2.504) 7.150 5.659 ( -2.408 0.000 6.223) 6.673 5.849 ( -2.522 0.000 -5.765) 6.293 5.931 ( 1.580 0.000 -9.086) 9.222 6.069 ( 4.204 0.000 7.685) 8.759 6.187 ( -8.927 0.000 -3.766) 9.689 6.266 ( 1.738 0.000 5.573) 5.837 6.348 ( -0.072 0.000 2.958) 2.959 6.409 ( 2.898 0.000 -6.926) 7.507 6.436 ( -1.676 0.000 -3.087) 3.513 6.602 ( 9.205 0.000 5.236) 10.590 6.665 ( 1.449 0.000 8.399) 8.523 6.676 ( -8.017 0.000 -1.146) 8.098 6.777 ( -3.664 0.000 -3.680) 5.193 6.880 ( 5.379 0.000 0.018) 5.379 6.906 ( 0.745 0.000 0.664) 0.997 6.922 ( -7.098 0.000 -1.447) 7.244 6.966 ( -1.127 0.000 5.152) 5.274 7.038 ( 0.454 0.000 -1.811) 1.867 7.085 ( -1.182 0.000 -4.438) 4.593 7.164 ( -3.809 0.000 -2.482) 4.546 7.168 ( 2.298 0.000 -8.163) 8.480 7.374 ( 1.665 0.000 0.397) 1.711 7.451 ( -2.452 0.000 -4.775) 5.368 7.579 ( -4.919 0.000 2.528) 5.530 7.629 ( 5.381 0.000 -1.937) 5.719 7.734 ( 3.273 0.000 5.388) 6.305 7.790 ( -2.375 0.000 0.387) 2.406 7.957 ( -4.328 0.000 11.912) 12.674 8.115 ( 8.187 0.000 -2.148) 8.464 8.209 ( -7.241 0.000 5.972) 9.386 8.223 ( 11.191 0.000 1.567) 11.301 8.402 ( -1.078 0.000 6.246) 6.338 8.449 ( -2.735 0.000 2.670) 3.823 8.612 ( 3.545 0.000 1.383) 3.805 8.656 ( -3.054 0.000 -4.969) 5.833 8.826 ( -5.176 0.000 -0.529) 5.203 8.849 ( 3.548 0.000 1.501) 3.852 8.885 ( -1.873 0.000 -2.767) 3.342 8.973 ( 0.344 0.000 -8.642) 8.649 9.172 ( -8.072 0.000 2.417) 8.426 9.213 ( 5.473 0.000 -1.789) 5.758 9.253 ( 4.674 0.000 2.476) 5.289 9.279 ( -4.511 0.000 -0.632) 4.555 9.330 ( 3.827 0.000 4.900) 6.217 9.422 ( -1.347 0.000 -4.189) 4.401 9.577 ( -0.949 0.000 3.126) 3.266 9.656 ( -1.984 0.000 0.347) 2.014 9.666 ( -0.945 0.000 -2.132) 2.332 9.733 ( 1.555 0.000 -4.208) 4.486 9.902 ( -5.749 0.000 2.949) 6.461 9.931 ( -2.873 0.000 1.845) 3.414 9.982 ( 5.798 0.000 -2.262) 6.223 10.035 ( 1.102 0.000 -4.135) 4.279 10.180 ( -3.296 0.000 -2.221) 3.974 10.188 ( 13.346 0.000 -4.084) 13.956 10.384 ( -1.480 0.000 5.114) 5.324 10.469 ( -4.958 0.000 -3.487) 6.061 10.518 ( 7.362 0.000 -2.092) 7.654 10.530 ( -5.274 0.000 -2.561) 5.863 10.673 ( -0.856 0.000 1.054) 1.358 10.680 ( -1.554 0.000 3.009) 3.387 10.782 ( 0.246 0.000 2.690) 2.701 10.829 ( 4.287 0.000 2.818) 5.130 10.874 ( 3.739 0.000 -3.059) 4.831 10.885 ( -4.022 0.000 -3.034) 5.038 11.004 ( -0.420 0.000 -1.024) 1.107 11.013 ( -3.080 0.000 -3.031) 4.322 11.218 ( 2.901 0.000 3.768) 4.755 11.241 ( 0.619 0.000 1.693) 1.802 11.417 ( -4.717 0.000 0.432) 4.736 11.438 ( 2.066 0.000 -1.080) 2.332 11.536 ( 0.477 0.000 2.123) 2.176 11.561 ( -0.922 0.000 0.917) 1.301 11.683 ( -4.000 0.000 0.350) 4.015 11.685 ( 4.302 0.000 0.193) 4.306 11.881 ( 3.529 0.000 1.307) 3.764 11.910 ( -7.269 0.000 2.411) 7.658 11.932 ( -1.340 0.000 -0.499) 1.430 11.958 ( 6.514 0.000 -0.641) 6.545 12.355 ( -1.980 0.000 -0.959) 2.200 12.357 ( 1.992 0.000 -1.524) 2.508 12.695 ( -0.718 0.000 8.284) 8.315 12.824 ( -1.087 0.000 -3.623) 3.783 13.079 ( -1.919 0.000 6.318) 6.603 13.315 ( 3.914 0.000 -17.203) 17.642 13.514 ( 6.902 0.000 1.206) 7.007 13.548 ( -5.108 0.000 -2.080) 5.516 13.769 ( -1.634 0.000 4.147) 4.457 13.847 ( 0.383 0.000 -4.264) 4.281 14.559 ( -1.535 0.000 1.741) 2.321 14.577 ( 1.477 0.000 -0.161) 1.486 14.672 ( 1.403 0.000 3.022) 3.332 14.702 ( -0.918 0.000 0.807) 1.222 15.209 ( -1.679 0.000 5.754) 5.994 15.266 ( 2.265 0.000 -2.035) 3.045 15.303 ( -5.059 0.000 6.089) 7.917 15.474 ( 5.210 0.000 -9.661) 10.976 15.713 ( 0.331 0.000 9.818) 9.823 15.875 ( -0.945 0.000 -6.706) 6.772 16.079 ( 0.330 0.000 4.429) 4.441 16.170 ( -2.968 0.000 -4.632) 5.502 17.619 ( 0.907 0.000 1.410) 1.677 17.651 ( -3.636 0.000 -1.781) 4.049 17.807 ( -1.883 0.000 1.583) 2.459 17.840 ( 3.486 0.000 -1.654) 3.859 18.411 ( -1.074 0.000 6.244) 6.336 18.549 ( -1.091 0.000 -8.182) 8.255 19.033 ( -2.035 0.000 5.850) 6.194 19.077 ( 2.851 0.000 2.546) 3.822 19.151 ( -2.580 0.000 -0.904) 2.734 19.183 ( 2.414 0.000 -5.322) 5.844 20.004 ( 1.628 0.000 0.543) 1.716 20.013 ( -3.049 0.000 -0.309) 3.065 20.136 ( 0.415 0.000 0.788) 0.890 20.137 ( 0.447 0.000 0.490) 0.663 20.490 ( 0.952 0.000 1.537) 1.808 20.531 ( -0.889 0.000 -2.767) 2.906 21.203 ( -11.085 0.000 2.234) 11.308 21.238 ( 17.969 0.000 -1.295) 18.016 21.272 ( 5.941 0.000 4.964) 7.742 21.376 ( -7.489 0.000 -5.763) 9.450 21.581 ( 5.634 0.000 3.068) 6.415 21.662 ( -6.002 0.000 -5.437) 8.098 22.157 ( -0.332 0.000 0.651) 0.731 22.160 ( 1.314 0.000 0.246) 1.336 23.040 ( 2.306 0.000 2.200) 3.187 23.082 ( -2.303 0.000 -2.131) 3.137 23.119 ( -0.240 0.000 1.479) 1.499 23.146 ( -0.364 0.000 -1.305) 1.355 ======================= Grid point 71 (35/54) ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 1.503 0.000 17.514) 17.579 1.304 ( -3.286 0.000 -6.028) 6.865 1.643 ( 10.415 0.000 -15.918) 19.022 1.677 ( 12.989 0.000 13.199) 18.518 1.937 ( 10.779 0.000 -1.060) 10.831 1.976 ( 11.207 0.000 -5.690) 12.568 2.423 ( -1.212 0.000 1.949) 2.295 2.515 ( 4.847 0.000 -3.710) 6.104 2.731 ( -5.908 0.000 -1.828) 6.184 2.767 ( 1.384 0.000 7.408) 7.536 2.794 ( 3.875 0.000 -6.403) 7.484 2.826 ( 0.902 0.000 4.077) 4.176 2.939 ( 3.073 0.000 -6.206) 6.925 3.043 ( 6.462 0.000 12.902) 14.429 3.119 ( 3.420 0.000 -18.175) 18.494 3.162 ( 5.345 0.000 13.294) 14.328 3.216 ( 1.520 0.000 4.467) 4.719 3.329 ( -5.584 0.000 2.609) 6.163 3.353 ( -4.014 0.000 -1.327) 4.228 3.458 ( 9.662 0.000 0.153) 9.663 3.554 ( 4.302 0.000 0.928) 4.401 3.569 ( 0.905 0.000 6.092) 6.159 3.600 ( 2.197 0.000 -7.234) 7.561 3.735 ( 2.635 0.000 1.680) 3.125 3.741 ( -0.025 0.000 -3.377) 3.377 3.845 ( 4.117 0.000 1.665) 4.441 3.853 ( -7.239 0.000 -4.572) 8.562 3.911 ( -1.403 0.000 -1.793) 2.277 3.937 ( 5.615 0.000 4.179) 6.999 3.957 ( 2.624 0.000 -5.129) 5.762 4.085 ( 4.161 0.000 2.088) 4.656 4.151 ( 11.124 0.000 -6.206) 12.737 4.282 ( 3.564 0.000 2.801) 4.533 4.298 ( 9.464 0.000 4.811) 10.617 4.367 ( -4.122 0.000 -2.192) 4.669 4.439 ( -4.095 0.000 0.255) 4.103 4.479 ( -2.104 0.000 2.582) 3.331 4.537 ( -1.838 0.000 -2.183) 2.854 4.635 ( -2.533 0.000 -1.858) 3.141 4.676 ( -0.295 0.000 -2.438) 2.456 4.708 ( 5.553 0.000 -3.100) 6.360 4.774 ( 2.702 0.000 0.066) 2.703 4.889 ( -3.013 0.000 -0.750) 3.105 4.971 ( 0.463 0.000 2.317) 2.363 5.083 ( -9.039 0.000 2.335) 9.336 5.114 ( 1.003 0.000 7.488) 7.555 5.147 ( 0.692 0.000 -7.334) 7.367 5.180 ( -0.018 0.000 -3.145) 3.145 5.452 ( 1.852 0.000 -0.194) 1.862 5.585 ( 7.322 0.000 4.450) 8.569 5.642 ( -0.316 0.000 3.481) 3.495 5.807 ( 3.485 0.000 -3.775) 5.138 5.853 ( -2.276 0.000 -6.119) 6.529 5.857 ( 4.496 0.000 -0.318) 4.507 5.926 ( -12.667 0.000 -2.746) 12.961 6.143 ( -2.530 0.000 8.040) 8.429 6.278 ( 0.582 0.000 4.554) 4.591 6.301 ( -5.115 0.000 -8.767) 10.150 6.401 ( 0.956 0.000 3.193) 3.333 6.426 ( 1.955 0.000 -0.423) 2.000 6.608 ( -4.764 0.000 7.417) 8.815 6.656 ( 2.385 0.000 -5.240) 5.757 6.692 ( -4.860 0.000 7.353) 8.814 6.743 ( -9.690 0.000 -3.635) 10.349 6.799 ( -1.380 0.000 -3.320) 3.595 6.947 ( -2.528 0.000 -0.396) 2.558 6.949 ( 7.170 0.000 -3.553) 8.002 6.986 ( 1.949 0.000 7.248) 7.505 7.056 ( -1.525 0.000 -2.631) 3.041 7.118 ( 2.146 0.000 -8.452) 8.720 7.119 ( 8.683 0.000 10.161) 13.365 7.202 ( 2.040 0.000 1.949) 2.822 7.339 ( -5.378 0.000 -3.924) 6.658 7.384 ( -0.692 0.000 6.865) 6.900 7.470 ( -6.465 0.000 1.416) 6.618 7.637 ( -3.161 0.000 -1.226) 3.391 7.737 ( -2.688 0.000 -3.901) 4.738 7.833 ( 2.230 0.000 3.505) 4.154 7.909 ( -5.164 0.000 5.255) 7.368 8.046 ( -11.811 0.000 -3.235) 12.246 8.193 ( 3.599 0.000 -8.734) 9.447 8.348 ( 1.215 0.000 -1.047) 1.604 8.370 ( -7.431 0.000 9.482) 12.047 8.504 ( 4.452 0.000 2.137) 4.938 8.602 ( 0.668 0.000 -3.835) 3.893 8.642 ( -5.007 0.000 -1.457) 5.214 8.755 ( -9.412 0.000 1.479) 9.527 8.764 ( 5.228 0.000 5.277) 7.428 8.881 ( 0.150 0.000 -1.397) 1.405 8.891 ( -1.880 0.000 -4.009) 4.428 9.144 ( -4.303 0.000 0.717) 4.362 9.190 ( 2.587 0.000 3.653) 4.476 9.288 ( -3.371 0.000 -1.211) 3.582 9.353 ( 2.619 0.000 -1.909) 3.240 9.383 ( -1.043 0.000 2.410) 2.626 9.403 ( 6.207 0.000 -2.449) 6.673 9.579 ( 0.131 0.000 2.869) 2.872 9.586 ( -5.856 0.000 5.097) 7.764 9.649 ( 1.182 0.000 -2.048) 2.364 9.666 ( -3.619 0.000 0.146) 3.622 9.926 ( 1.246 0.000 -1.448) 1.910 9.930 ( -4.096 0.000 -1.243) 4.280 9.956 ( -4.411 0.000 -8.097) 9.220 10.081 ( 8.119 0.000 -2.343) 8.450 10.147 ( 8.339 0.000 2.095) 8.598 10.184 ( -5.499 0.000 -5.760) 7.964 10.319 ( -5.591 0.000 6.140) 8.304 10.469 ( 3.564 0.000 -2.176) 4.176 10.484 ( -3.761 0.000 1.049) 3.905 10.557 ( -2.186 0.000 -0.242) 2.200 10.695 ( 2.498 0.000 3.626) 4.403 10.718 ( 4.328 0.000 1.273) 4.511 10.815 ( 0.503 0.000 -0.913) 1.042 10.855 ( 1.776 0.000 0.096) 1.778 10.861 ( -0.130 0.000 -3.119) 3.121 10.984 ( 0.288 0.000 1.324) 1.355 11.040 ( 3.576 0.000 3.953) 5.331 11.087 ( 11.830 0.000 -5.712) 13.137 11.246 ( -0.666 0.000 -5.867) 5.905 11.247 ( -0.810 0.000 2.302) 2.440 11.363 ( 0.976 0.000 3.917) 4.037 11.471 ( -0.059 0.000 2.004) 2.005 11.561 ( 0.561 0.000 -0.816) 0.990 11.565 ( -3.347 0.000 0.824) 3.446 11.609 ( 2.773 0.000 -1.223) 3.030 11.723 ( 0.103 0.000 -0.329) 0.344 11.812 ( -3.840 0.000 -0.058) 3.840 11.926 ( 1.780 0.000 -2.581) 3.135 11.977 ( 4.487 0.000 1.073) 4.614 12.107 ( 7.446 0.000 1.791) 7.658 12.341 ( 2.136 0.000 -3.314) 3.942 12.400 ( 2.204 0.000 0.892) 2.378 12.761 ( 1.479 0.000 9.300) 9.416 12.805 ( 1.560 0.000 -4.806) 5.053 13.085 ( -2.632 0.000 9.635) 9.988 13.290 ( 4.505 0.000 -16.699) 17.296 13.357 ( -11.119 0.000 -3.810) 11.754 13.590 ( 1.059 0.000 0.925) 1.406 13.818 ( 2.625 0.000 5.321) 5.933 13.900 ( 6.670 0.000 -4.193) 7.878 14.527 ( -1.991 0.000 1.138) 2.294 14.577 ( -1.418 0.000 -0.679) 1.572 14.678 ( -1.411 0.000 -2.197) 2.611 14.699 ( -0.283 0.000 2.081) 2.100 15.204 ( -6.426 0.000 11.878) 13.505 15.277 ( 2.564 0.000 0.190) 2.571 15.337 ( 5.960 0.000 -3.775) 7.054 15.507 ( 4.161 0.000 -8.688) 9.633 15.771 ( -1.139 0.000 9.885) 9.950 15.809 ( -0.978 0.000 -7.895) 7.956 16.011 ( -8.961 0.000 1.315) 9.057 16.040 ( -6.301 0.000 4.168) 7.555 17.650 ( 2.435 0.000 2.538) 3.517 17.757 ( 8.368 0.000 0.297) 8.373 17.808 ( 2.265 0.000 0.802) 2.403 17.912 ( 5.284 0.000 -3.758) 6.484 18.521 ( 7.258 0.000 8.779) 11.391 18.553 ( 5.406 0.000 -4.911) 7.304 19.094 ( 3.366 0.000 5.893) 6.786 19.117 ( 1.296 0.000 -3.479) 3.712 19.171 ( 5.782 0.000 -0.107) 5.783 19.233 ( 4.854 0.000 -3.236) 5.834 19.942 ( -3.678 0.000 0.363) 3.696 19.985 ( -3.925 0.000 1.267) 4.124 20.170 ( 1.964 0.000 -0.240) 1.979 20.204 ( 5.594 0.000 -0.029) 5.594 20.461 ( -4.534 0.000 -2.153) 5.020 20.492 ( -1.654 0.000 1.653) 2.338 20.876 ( -17.233 0.000 -3.097) 17.509 21.118 ( -12.301 0.000 -8.480) 14.941 21.418 ( 2.682 0.000 4.864) 5.554 21.441 ( 1.337 0.000 1.553) 2.049 21.485 ( -5.527 0.000 -5.937) 8.111 21.686 ( 2.568 0.000 3.452) 4.303 22.060 ( -8.990 0.000 2.396) 9.304 22.124 ( -4.504 0.000 -2.650) 5.226 23.042 ( 0.091 0.000 -1.822) 1.824 23.115 ( 3.828 0.000 1.877) 4.264 23.146 ( 0.714 0.000 -0.680) 0.986 23.162 ( 2.875 0.000 1.020) 3.050 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 12.023 0.000 -0.699) 12.043 1.483 ( 15.928 0.000 7.848) 17.756 1.811 ( 17.644 0.000 -15.553) 23.520 2.021 ( 9.020 0.000 -2.233) 9.292 2.097 ( 5.740 0.000 0.535) 5.765 2.183 ( 15.671 0.000 15.922) 22.340 2.410 ( 1.173 0.000 -2.194) 2.487 2.478 ( -6.102 0.000 -1.465) 6.275 2.598 ( -3.058 0.000 -6.491) 7.176 2.719 ( -6.346 0.000 1.140) 6.448 2.841 ( -8.815 0.000 13.984) 16.530 2.964 ( 6.374 0.000 3.321) 7.188 3.051 ( 0.408 0.000 -6.597) 6.610 3.051 ( -8.385 0.000 6.381) 10.537 3.066 ( -1.880 0.000 -2.089) 2.810 3.181 ( -1.401 0.000 -2.169) 2.582 3.288 ( 9.288 0.000 1.233) 9.370 3.288 ( 5.614 0.000 -4.363) 7.110 3.409 ( -2.478 0.000 -6.034) 6.523 3.453 ( 0.037 0.000 3.277) 3.277 3.628 ( 3.818 0.000 -1.500) 4.102 3.632 ( 2.747 0.000 -1.792) 3.280 3.670 ( 0.650 0.000 0.732) 0.979 3.714 ( -1.647 0.000 -0.312) 1.676 3.804 ( 6.566 0.000 4.499) 7.959 3.895 ( 5.359 0.000 -8.308) 9.887 3.976 ( 7.250 0.000 -4.919) 8.761 3.979 ( 11.495 0.000 3.320) 11.964 4.080 ( 9.018 0.000 -3.449) 9.655 4.092 ( -5.292 0.000 5.785) 7.840 4.139 ( 2.815 0.000 6.983) 7.529 4.250 ( 9.046 0.000 12.135) 15.135 4.301 ( 0.509 0.000 -2.839) 2.884 4.370 ( 2.342 0.000 -3.770) 4.438 4.371 ( 2.415 0.000 -1.225) 2.708 4.428 ( 5.759 0.000 -0.082) 5.759 4.545 ( -0.888 0.000 -2.305) 2.470 4.613 ( 8.156 0.000 2.548) 8.545 4.628 ( -1.154 0.000 -0.468) 1.245 4.642 ( 2.690 0.000 -2.908) 3.962 4.760 ( 2.704 0.000 -6.838) 7.353 4.791 ( -4.492 0.000 1.059) 4.615 4.897 ( -4.465 0.000 -10.786) 11.673 4.939 ( -1.764 0.000 4.200) 4.556 4.971 ( 15.771 0.000 6.445) 17.037 5.134 ( 2.480 0.000 -4.306) 4.969 5.163 ( 3.596 0.000 -2.538) 4.402 5.274 ( 4.703 0.000 9.353) 10.469 5.460 ( -6.589 0.000 -0.753) 6.632 5.598 ( -9.944 0.000 -3.399) 10.509 5.661 ( -0.921 0.000 3.875) 3.983 5.693 ( -4.004 0.000 -9.733) 10.525 5.740 ( 5.436 0.000 5.985) 8.086 5.932 ( -0.442 0.000 7.523) 7.536 5.972 ( 3.742 0.000 1.883) 4.189 6.119 ( -6.792 0.000 -7.444) 10.077 6.126 ( -1.759 0.000 2.299) 2.895 6.324 ( -1.605 0.000 3.641) 3.979 6.429 ( -1.672 0.000 -3.333) 3.729 6.459 ( -1.064 0.000 1.869) 2.151 6.478 ( -4.427 0.000 4.806) 6.534 6.583 ( -5.752 0.000 -2.607) 6.315 6.684 ( 0.498 0.000 4.392) 4.421 6.723 ( 1.969 0.000 -0.490) 2.029 6.733 ( 3.113 0.000 -0.707) 3.192 6.895 ( -1.585 0.000 0.427) 1.641 6.937 ( -1.367 0.000 -6.447) 6.590 6.979 ( -4.530 0.000 -4.852) 6.638 7.053 ( -0.866 0.000 1.075) 1.380 7.150 ( 3.210 0.000 -0.904) 3.335 7.186 ( -4.750 0.000 -2.412) 5.327 7.255 ( 1.423 0.000 -1.411) 2.004 7.291 ( -2.373 0.000 7.977) 8.323 7.442 ( -1.099 0.000 1.205) 1.631 7.482 ( 4.810 0.000 12.963) 13.827 7.551 ( -1.517 0.000 4.058) 4.332 7.648 ( -1.906 0.000 -8.667) 8.874 7.681 ( -14.452 0.000 -6.619) 15.896 7.753 ( -12.155 0.000 -2.176) 12.348 7.953 ( 2.567 0.000 4.395) 5.089 8.129 ( -4.155 0.000 -7.704) 8.753 8.272 ( -7.210 0.000 -3.940) 8.216 8.292 ( -7.711 0.000 9.016) 11.863 8.516 ( 0.124 0.000 0.611) 0.623 8.583 ( -5.672 0.000 3.560) 6.696 8.600 ( -0.778 0.000 -2.938) 3.039 8.642 ( 1.861 0.000 4.898) 5.240 8.899 ( 4.513 0.000 0.452) 4.536 8.910 ( 2.104 0.000 -0.376) 2.138 8.924 ( 5.828 0.000 0.552) 5.854 9.098 ( 0.162 0.000 1.603) 1.612 9.167 ( -5.401 0.000 -5.093) 7.424 9.251 ( -1.138 0.000 0.396) 1.205 9.377 ( 3.932 0.000 -3.759) 5.440 9.384 ( 0.139 0.000 5.664) 5.666 9.448 ( -1.001 0.000 1.520) 1.820 9.492 ( -5.749 0.000 5.574) 8.007 9.629 ( 2.388 0.000 0.222) 2.399 9.637 ( -0.310 0.000 -3.788) 3.801 9.693 ( 4.505 0.000 1.650) 4.797 9.807 ( 0.134 0.000 -1.751) 1.756 9.829 ( -6.637 0.000 -6.516) 9.301 10.002 ( -5.028 0.000 -6.937) 8.568 10.008 ( 5.448 0.000 -3.459) 6.453 10.225 ( -4.769 0.000 7.629) 8.997 10.333 ( 10.160 0.000 1.914) 10.339 10.358 ( 5.088 0.000 3.145) 5.981 10.394 ( -2.240 0.000 -0.141) 2.245 10.451 ( -5.663 0.000 2.983) 6.401 10.510 ( 1.472 0.000 -4.749) 4.972 10.754 ( -2.931 0.000 -3.057) 4.235 10.764 ( -0.012 0.000 -0.112) 0.113 10.816 ( 2.237 0.000 0.057) 2.238 10.873 ( 3.722 0.000 1.948) 4.201 10.920 ( 3.260 0.000 1.957) 3.802 10.952 ( -3.174 0.000 -4.963) 5.891 11.149 ( 2.441 0.000 1.347) 2.788 11.163 ( 3.374 0.000 6.953) 7.728 11.250 ( 1.018 0.000 -2.374) 2.583 11.252 ( -0.324 0.000 5.221) 5.231 11.422 ( -3.735 0.000 2.776) 4.653 11.428 ( 2.350 0.000 -0.633) 2.434 11.561 ( -1.330 0.000 2.509) 2.840 11.582 ( 2.433 0.000 -0.636) 2.514 11.638 ( 2.559 0.000 -4.234) 4.947 11.702 ( -1.655 0.000 -0.950) 1.908 11.785 ( 0.401 0.000 1.147) 1.215 11.971 ( 4.619 0.000 -2.703) 5.351 12.037 ( 2.541 0.000 -5.665) 6.209 12.215 ( 0.400 0.000 5.074) 5.090 12.406 ( 7.379 0.000 -6.083) 9.563 12.434 ( -0.020 0.000 2.561) 2.561 12.808 ( 1.991 0.000 -6.345) 6.650 12.825 ( -3.251 0.000 7.688) 8.347 13.094 ( -3.589 0.000 11.800) 12.334 13.151 ( -4.692 0.000 0.304) 4.702 13.290 ( 5.987 0.000 -16.234) 17.303 13.590 ( -1.573 0.000 -0.251) 1.593 13.912 ( 2.611 0.000 7.886) 8.307 14.020 ( 7.791 0.000 -4.118) 8.813 14.513 ( -0.099 0.000 1.266) 1.270 14.524 ( -2.731 0.000 -1.962) 3.362 14.614 ( -2.157 0.000 -6.235) 6.598 14.682 ( -2.687 0.000 1.494) 3.074 15.159 ( -6.386 0.000 15.731) 16.978 15.360 ( 4.938 0.000 -0.081) 4.939 15.402 ( 3.715 0.000 -7.633) 8.489 15.546 ( 5.050 0.000 -6.605) 8.314 15.735 ( -1.548 0.000 -7.090) 7.257 15.776 ( -4.806 0.000 8.234) 9.534 15.892 ( -4.078 0.000 2.639) 4.857 15.952 ( -3.216 0.000 0.752) 3.303 17.718 ( 0.876 0.000 6.998) 7.053 17.860 ( 3.010 0.000 -1.759) 3.486 17.914 ( 6.659 0.000 1.441) 6.814 18.004 ( 5.883 0.000 -3.406) 6.798 18.687 ( 10.095 0.000 -0.555) 10.110 18.763 ( 10.400 0.000 8.957) 13.726 19.123 ( 1.581 0.000 -0.103) 1.585 19.244 ( 7.754 0.000 -0.825) 7.798 19.270 ( 3.403 0.000 -0.388) 3.425 19.297 ( 2.483 0.000 -2.723) 3.685 19.876 ( -2.983 0.000 -0.171) 2.988 19.898 ( -4.740 0.000 2.161) 5.209 20.190 ( -0.390 0.000 -0.640) 0.750 20.296 ( 0.142 0.000 -2.372) 2.376 20.344 ( -2.842 0.000 -1.110) 3.051 20.456 ( -2.476 0.000 1.165) 2.737 20.601 ( -5.908 0.000 -6.226) 8.584 20.824 ( -10.669 0.000 -9.553) 14.321 21.285 ( -8.319 0.000 0.807) 8.358 21.434 ( -3.547 0.000 3.584) 5.043 21.512 ( 1.966 0.000 2.004) 2.807 21.717 ( -0.513 0.000 0.612) 0.798 21.883 ( -10.915 0.000 4.957) 11.988 21.972 ( -6.775 0.000 -6.683) 9.517 23.067 ( 2.751 0.000 -0.137) 2.754 23.161 ( 1.025 0.000 0.338) 1.080 23.194 ( 2.728 0.000 0.763) 2.833 23.214 ( 2.065 0.000 -0.677) 2.173 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 11.234 0.000 10.830) 15.604 1.843 ( 14.928 0.000 1.564) 15.010 2.058 ( 8.740 0.000 -7.237) 11.347 2.160 ( 7.639 0.000 -4.454) 8.843 2.190 ( 8.118 0.000 -2.203) 8.411 2.355 ( -2.585 0.000 -1.254) 2.873 2.455 ( -5.430 0.000 1.154) 5.551 2.467 ( 2.122 0.000 -1.490) 2.593 2.579 ( -4.875 0.000 5.290) 7.194 2.652 ( -10.237 0.000 0.369) 10.244 2.718 ( -5.833 0.000 2.280) 6.262 2.755 ( 8.685 0.000 13.130) 15.742 2.839 ( -7.484 0.000 -3.063) 8.086 3.036 ( 1.050 0.000 9.893) 9.948 3.125 ( -6.259 0.000 5.539) 8.358 3.201 ( 4.604 0.000 3.421) 5.736 3.382 ( 4.373 0.000 -7.358) 8.559 3.390 ( -2.389 0.000 6.813) 7.220 3.432 ( -1.282 0.000 -7.238) 7.351 3.581 ( 1.221 0.000 -2.545) 2.823 3.598 ( 0.499 0.000 -2.394) 2.446 3.613 ( 1.972 0.000 -6.737) 7.020 3.648 ( 1.961 0.000 -1.757) 2.633 3.724 ( 3.832 0.000 -4.666) 6.038 3.892 ( -0.506 0.000 4.646) 4.674 3.955 ( 4.654 0.000 -5.465) 7.178 4.024 ( -0.438 0.000 8.190) 8.201 4.076 ( 5.310 0.000 -4.405) 6.899 4.124 ( -4.227 0.000 5.850) 7.217 4.153 ( 2.167 0.000 -1.447) 2.606 4.193 ( 1.415 0.000 0.925) 1.691 4.250 ( -2.836 0.000 1.116) 3.048 4.351 ( 1.553 0.000 -1.799) 2.376 4.412 ( -1.409 0.000 -1.937) 2.396 4.531 ( 5.397 0.000 -4.008) 6.722 4.543 ( -5.923 0.000 -3.755) 7.013 4.545 ( -0.304 0.000 -4.005) 4.016 4.550 ( 4.450 0.000 0.432) 4.471 4.626 ( 3.304 0.000 1.127) 3.491 4.715 ( -1.661 0.000 -9.298) 9.445 4.749 ( -7.554 0.000 8.445) 11.331 4.811 ( 10.551 0.000 -10.485) 14.875 4.902 ( 9.175 0.000 0.682) 9.200 5.026 ( 8.224 0.000 -0.068) 8.224 5.072 ( -7.797 0.000 -1.266) 7.900 5.199 ( -4.711 0.000 -1.097) 4.837 5.239 ( 5.632 0.000 0.056) 5.632 5.337 ( 4.710 0.000 8.474) 9.694 5.514 ( 16.785 0.000 4.511) 17.380 5.538 ( 1.725 0.000 -2.571) 3.096 5.655 ( -2.617 0.000 4.267) 5.006 5.736 ( 12.162 0.000 6.897) 13.981 5.791 ( -5.956 0.000 -2.057) 6.301 5.867 ( -6.619 0.000 4.783) 8.166 5.930 ( -11.685 0.000 7.848) 14.076 6.052 ( -5.782 0.000 -2.304) 6.225 6.058 ( 4.825 0.000 -1.058) 4.939 6.275 ( -0.421 0.000 2.336) 2.373 6.371 ( -1.476 0.000 4.089) 4.348 6.436 ( 0.872 0.000 0.365) 0.946 6.539 ( 4.376 0.000 0.537) 4.409 6.554 ( 1.168 0.000 -1.515) 1.913 6.611 ( -4.322 0.000 -7.715) 8.843 6.758 ( -2.135 0.000 5.128) 5.554 6.763 ( -5.312 0.000 -5.817) 7.877 6.875 ( -6.442 0.000 -4.784) 8.024 6.896 ( 2.549 0.000 3.574) 4.390 6.914 ( 0.195 0.000 -0.829) 0.851 7.028 ( -1.206 0.000 -11.295) 11.359 7.046 ( 1.835 0.000 -2.964) 3.486 7.163 ( -5.636 0.000 3.142) 6.453 7.236 ( -2.416 0.000 -0.210) 2.425 7.303 ( -2.666 0.000 1.251) 2.945 7.373 ( 2.024 0.000 -2.277) 3.047 7.410 ( -2.235 0.000 1.752) 2.840 7.494 ( -7.598 0.000 5.320) 9.276 7.524 ( -2.743 0.000 -7.876) 8.340 7.659 ( 3.542 0.000 -3.910) 5.276 7.736 ( 4.335 0.000 11.114) 11.930 7.980 ( -4.525 0.000 9.011) 10.083 7.992 ( -5.473 0.000 -3.222) 6.351 8.112 ( -2.430 0.000 -6.698) 7.126 8.271 ( 2.700 0.000 5.871) 6.462 8.482 ( -4.261 0.000 -2.069) 4.737 8.541 ( -1.792 0.000 4.119) 4.492 8.575 ( -0.521 0.000 -0.333) 0.618 8.741 ( 3.212 0.000 7.733) 8.374 8.925 ( -0.917 0.000 2.188) 2.372 8.948 ( 2.895 0.000 -3.747) 4.735 9.023 ( 1.328 0.000 -4.615) 4.802 9.077 ( 2.032 0.000 -3.814) 4.322 9.122 ( -1.391 0.000 -0.908) 1.661 9.234 ( 2.407 0.000 3.826) 4.520 9.395 ( -0.704 0.000 3.054) 3.134 9.417 ( 1.121 0.000 -3.238) 3.427 9.470 ( 3.208 0.000 0.301) 3.222 9.516 ( 1.367 0.000 8.314) 8.425 9.581 ( -9.191 0.000 -4.044) 10.042 9.613 ( -0.310 0.000 -3.820) 3.832 9.719 ( 0.614 0.000 -5.855) 5.887 9.778 ( 4.959 0.000 0.484) 4.983 9.821 ( 0.190 0.000 0.409) 0.451 9.921 ( -0.118 0.000 0.366) 0.385 10.051 ( -1.812 0.000 -1.699) 2.484 10.202 ( 1.482 0.000 3.491) 3.792 10.291 ( -6.938 0.000 2.052) 7.235 10.338 ( -0.077 0.000 -0.011) 0.078 10.448 ( 0.072 0.000 -6.444) 6.444 10.534 ( 7.416 0.000 1.986) 7.677 10.579 ( 3.782 0.000 0.151) 3.785 10.657 ( -4.431 0.000 -0.453) 4.454 10.744 ( -0.282 0.000 -0.063) 0.289 10.805 ( -4.166 0.000 -3.442) 5.403 10.832 ( -0.855 0.000 -0.214) 0.881 10.997 ( 3.139 0.000 1.828) 3.632 11.012 ( 4.514 0.000 1.278) 4.691 11.165 ( -3.469 0.000 0.579) 3.517 11.195 ( -1.159 0.000 -3.468) 3.657 11.269 ( 4.869 0.000 3.983) 6.291 11.326 ( -0.186 0.000 10.311) 10.313 11.424 ( 0.590 0.000 6.005) 6.033 11.457 ( 1.070 0.000 1.062) 1.508 11.509 ( -2.225 0.000 -1.175) 2.516 11.631 ( 1.947 0.000 1.199) 2.287 11.648 ( -2.760 0.000 -2.316) 3.603 11.684 ( 2.412 0.000 -0.795) 2.540 11.802 ( 1.179 0.000 -0.575) 1.311 11.991 ( -1.392 0.000 -12.165) 12.244 12.067 ( 5.907 0.000 -0.209) 5.911 12.203 ( -2.609 0.000 -0.032) 2.609 12.436 ( -2.099 0.000 4.948) 5.374 12.510 ( 5.809 0.000 -4.729) 7.491 12.706 ( -9.517 0.000 6.053) 11.279 12.803 ( 2.642 0.000 -8.040) 8.463 13.087 ( -4.879 0.000 11.941) 12.899 13.230 ( 7.259 0.000 6.205) 9.550 13.318 ( 6.984 0.000 -15.387) 16.898 13.513 ( -5.066 0.000 -3.313) 6.053 14.003 ( 0.277 0.000 9.873) 9.877 14.136 ( 6.464 0.000 -3.984) 7.593 14.463 ( -1.681 0.000 -2.227) 2.790 14.518 ( -1.651 0.000 -5.225) 5.479 14.549 ( 1.516 0.000 -0.608) 1.633 14.624 ( -3.558 0.000 0.612) 3.610 15.152 ( -5.063 0.000 17.037) 17.774 15.408 ( 3.091 0.000 -9.381) 9.877 15.447 ( 3.277 0.000 1.007) 3.428 15.576 ( 0.855 0.000 -6.637) 6.691 15.699 ( -6.535 0.000 5.162) 8.328 15.700 ( 2.455 0.000 -3.526) 4.297 15.864 ( -1.926 0.000 4.084) 4.515 15.922 ( 0.027 0.000 -1.709) 1.710 17.769 ( -0.371 0.000 7.459) 7.468 17.891 ( 2.458 0.000 -3.757) 4.490 18.029 ( 3.424 0.000 0.922) 3.546 18.067 ( 1.891 0.000 -1.722) 2.558 18.931 ( 13.138 0.000 3.747) 13.662 18.994 ( 6.743 0.000 8.784) 11.073 19.157 ( -0.443 0.000 2.927) 2.960 19.252 ( -4.781 0.000 -1.821) 5.116 19.274 ( -2.371 0.000 -2.584) 3.507 19.308 ( 1.833 0.000 -10.287) 10.450 19.870 ( 3.198 0.000 1.816) 3.678 19.880 ( 0.081 0.000 4.506) 4.507 20.119 ( -6.235 0.000 -1.159) 6.342 20.170 ( -3.251 0.000 -8.069) 8.699 20.366 ( 0.612 0.000 1.769) 1.872 20.425 ( -1.114 0.000 0.492) 1.218 20.550 ( 1.555 0.000 -3.606) 3.927 20.620 ( -4.880 0.000 -7.505) 8.952 21.205 ( -0.364 0.000 4.026) 4.042 21.344 ( -5.892 0.000 0.266) 5.898 21.579 ( 3.380 0.000 3.041) 4.547 21.694 ( -1.351 0.000 -1.888) 2.322 21.721 ( -8.985 0.000 7.138) 11.476 21.832 ( -1.515 0.000 -7.492) 7.643 23.129 ( 2.762 0.000 1.363) 3.080 23.190 ( 1.208 0.000 1.285) 1.764 23.209 ( -0.881 0.000 -1.034) 1.359 23.237 ( 0.618 0.000 -1.267) 1.410 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( -4.001 0.000 7.411) 8.422 1.824 ( -17.085 0.000 -6.536) 18.293 2.000 ( -28.814 0.000 4.615) 29.181 2.104 ( -2.622 0.000 -0.023) 2.623 2.145 ( -0.969 0.000 -6.023) 6.100 2.244 ( 0.970 0.000 9.797) 9.845 2.435 ( -1.530 0.000 2.883) 3.264 2.491 ( 0.360 0.000 -1.821) 1.856 2.598 ( 3.487 0.000 2.213) 4.129 2.673 ( 5.710 0.000 -1.809) 5.990 2.799 ( 13.354 0.000 0.908) 13.385 2.820 ( 12.403 0.000 -5.796) 13.690 2.994 ( -4.293 0.000 -6.993) 8.206 3.107 ( -4.815 0.000 12.518) 13.412 3.170 ( 14.098 0.000 2.783) 14.370 3.247 ( 2.193 0.000 -4.908) 5.376 3.295 ( -6.776 0.000 -5.794) 8.915 3.353 ( -2.233 0.000 -6.443) 6.819 3.444 ( 5.742 0.000 8.517) 10.272 3.455 ( -5.727 0.000 5.756) 8.120 3.571 ( 0.047 0.000 -5.153) 5.153 3.642 ( -4.908 0.000 0.190) 4.912 3.653 ( -4.668 0.000 -6.775) 8.227 3.713 ( 0.193 0.000 -3.484) 3.489 3.846 ( -9.414 0.000 6.557) 11.472 3.942 ( -5.891 0.000 7.894) 9.850 4.002 ( 1.909 0.000 -5.832) 6.137 4.129 ( -1.532 0.000 -1.264) 1.986 4.136 ( -3.012 0.000 1.379) 3.313 4.149 ( -1.231 0.000 3.555) 3.762 4.196 ( -0.221 0.000 10.366) 10.368 4.218 ( 3.085 0.000 -3.759) 4.862 4.317 ( -8.691 0.000 2.728) 9.109 4.411 ( -0.004 0.000 -0.711) 0.711 4.450 ( 1.752 0.000 2.165) 2.785 4.490 ( -5.147 0.000 -0.438) 5.165 4.507 ( -1.843 0.000 -3.269) 3.753 4.509 ( 0.068 0.000 4.138) 4.139 4.597 ( -3.266 0.000 -1.131) 3.456 4.658 ( -0.799 0.000 -4.221) 4.296 4.731 ( 1.096 0.000 0.197) 1.114 4.961 ( 5.302 0.000 -11.845) 12.977 4.996 ( -7.975 0.000 -5.297) 9.573 5.017 ( 4.005 0.000 4.943) 6.362 5.039 ( -3.248 0.000 -2.727) 4.241 5.186 ( 5.762 0.000 -3.157) 6.570 5.324 ( -3.892 0.000 -6.642) 7.698 5.376 ( 2.463 0.000 4.751) 5.351 5.509 ( -11.666 0.000 -3.108) 12.073 5.621 ( -5.385 0.000 -2.667) 6.009 5.659 ( 4.195 0.000 6.838) 8.023 5.721 ( 0.451 0.000 1.881) 1.934 5.792 ( -1.342 0.000 6.016) 6.164 5.883 ( -5.987 0.000 -5.521) 8.144 5.904 ( 11.878 0.000 10.448) 15.819 6.060 ( 7.850 0.000 -1.627) 8.016 6.278 ( 6.665 0.000 6.449) 9.274 6.291 ( -4.555 0.000 -13.004) 13.779 6.375 ( -3.116 0.000 1.176) 3.331 6.431 ( -3.294 0.000 -0.132) 3.297 6.474 ( -1.980 0.000 -0.263) 1.997 6.489 ( 4.266 0.000 3.823) 5.728 6.598 ( -2.065 0.000 -4.279) 4.751 6.703 ( -3.254 0.000 2.298) 3.984 6.745 ( 14.380 0.000 5.634) 15.444 6.777 ( 3.077 0.000 1.490) 3.419 6.912 ( -1.031 0.000 -0.286) 1.070 6.912 ( -1.304 0.000 -0.174) 1.315 6.965 ( -7.227 0.000 -4.063) 8.291 7.075 ( 4.334 0.000 -5.451) 6.964 7.169 ( 4.537 0.000 3.714) 5.863 7.225 ( 1.668 0.000 0.408) 1.717 7.302 ( -5.109 0.000 3.425) 6.151 7.347 ( 4.341 0.000 3.813) 5.777 7.394 ( 1.597 0.000 -5.352) 5.585 7.517 ( 3.469 0.000 -4.327) 5.546 7.571 ( 3.655 0.000 6.060) 7.077 7.598 ( -0.932 0.000 -6.890) 6.953 7.865 ( 1.899 0.000 10.843) 11.008 7.876 ( -4.460 0.000 -2.688) 5.207 7.988 ( 2.525 0.000 6.964) 7.408 8.139 ( 5.350 0.000 -7.837) 9.489 8.354 ( -4.187 0.000 -4.462) 6.119 8.388 ( 1.381 0.000 8.934) 9.040 8.554 ( 0.933 0.000 2.263) 2.448 8.585 ( 2.352 0.000 -0.790) 2.481 8.852 ( 4.162 0.000 3.644) 5.531 8.938 ( 1.548 0.000 4.610) 4.863 8.941 ( -0.112 0.000 -10.078) 10.079 8.996 ( 0.372 0.000 -5.653) 5.665 9.055 ( -4.138 0.000 -0.841) 4.222 9.107 ( 0.686 0.000 0.595) 0.908 9.324 ( 0.959 0.000 5.495) 5.579 9.345 ( -5.153 0.000 -8.009) 9.524 9.448 ( 1.124 0.000 -2.662) 2.890 9.448 ( 2.893 0.000 2.271) 3.678 9.542 ( 1.825 0.000 2.735) 3.287 9.571 ( -0.147 0.000 0.533) 0.552 9.591 ( 1.262 0.000 5.565) 5.707 9.663 ( -0.978 0.000 -7.011) 7.079 9.795 ( -2.057 0.000 -1.466) 2.526 9.823 ( -0.245 0.000 0.330) 0.412 9.973 ( -2.287 0.000 -4.233) 4.811 9.997 ( 1.289 0.000 3.894) 4.102 10.229 ( 1.995 0.000 0.137) 2.000 10.284 ( 2.247 0.000 4.500) 5.030 10.376 ( 3.676 0.000 0.387) 3.697 10.393 ( -0.602 0.000 -5.604) 5.636 10.548 ( -4.656 0.000 -1.203) 4.809 10.580 ( -2.857 0.000 -0.048) 2.857 10.681 ( 4.137 0.000 4.634) 6.212 10.701 ( -0.579 0.000 -3.926) 3.969 10.789 ( -1.963 0.000 -0.634) 2.063 10.817 ( 1.734 0.000 1.520) 2.306 11.018 ( -3.157 0.000 0.523) 3.200 11.030 ( -2.310 0.000 -0.666) 2.404 11.142 ( 1.529 0.000 1.793) 2.356 11.189 ( 3.393 0.000 -2.188) 4.038 11.288 ( -5.797 0.000 2.040) 6.145 11.409 ( 5.957 0.000 3.189) 6.757 11.466 ( -1.356 0.000 0.655) 1.506 11.483 ( -0.775 0.000 -1.548) 1.731 11.505 ( 1.199 0.000 10.259) 10.329 11.564 ( -3.402 0.000 -3.805) 5.104 11.681 ( 2.362 0.000 0.214) 2.371 11.693 ( -0.173 0.000 -2.732) 2.738 11.849 ( 2.823 0.000 2.953) 4.086 11.856 ( -3.700 0.000 -10.965) 11.572 12.125 ( -3.558 0.000 -5.292) 6.377 12.187 ( 5.991 0.000 0.485) 6.011 12.403 ( -5.433 0.000 6.260) 8.289 12.523 ( -1.924 0.000 -2.941) 3.514 12.650 ( -0.347 0.000 6.940) 6.949 12.836 ( 6.168 0.000 -7.173) 9.461 13.057 ( -5.494 0.000 11.116) 12.400 13.348 ( 6.660 0.000 -15.831) 17.175 13.368 ( -5.912 0.000 -6.494) 8.782 13.427 ( 7.189 0.000 5.679) 9.161 14.021 ( -4.501 0.000 7.806) 9.011 14.199 ( 3.015 0.000 -8.779) 9.283 14.446 ( -1.506 0.000 -2.498) 2.917 14.448 ( 1.066 0.000 0.504) 1.179 14.565 ( -2.323 0.000 -0.397) 2.356 14.610 ( 3.113 0.000 2.070) 3.738 15.174 ( -3.469 0.000 15.795) 16.172 15.409 ( 2.910 0.000 -9.418) 9.857 15.488 ( -0.799 0.000 2.630) 2.748 15.512 ( -2.271 0.000 -6.706) 7.080 15.609 ( -5.440 0.000 5.777) 7.936 15.763 ( 4.900 0.000 -1.554) 5.141 15.862 ( -0.827 0.000 4.752) 4.823 15.922 ( 1.090 0.000 -2.205) 2.460 17.800 ( -0.678 0.000 5.741) 5.781 17.908 ( 2.237 0.000 -6.598) 6.967 18.045 ( -2.314 0.000 0.793) 2.446 18.053 ( -2.006 0.000 -1.557) 2.539 18.983 ( -12.952 0.000 0.313) 12.956 19.096 ( -5.479 0.000 7.804) 9.535 19.146 ( -6.426 0.000 -6.617) 9.224 19.176 ( 3.602 0.000 5.445) 6.529 19.246 ( 8.906 0.000 -2.761) 9.324 19.318 ( 4.897 0.000 -8.549) 9.852 19.868 ( -3.374 0.000 2.084) 3.966 19.977 ( -5.949 0.000 -1.145) 6.058 19.991 ( 5.327 0.000 5.914) 7.960 20.147 ( 4.185 0.000 -4.292) 5.995 20.400 ( 1.955 0.000 2.618) 3.267 20.413 ( -0.139 0.000 -2.014) 2.019 20.506 ( -4.443 0.000 -1.008) 4.556 20.568 ( 2.353 0.000 -0.924) 2.528 21.264 ( -0.694 0.000 -2.149) 2.258 21.320 ( 8.431 0.000 2.958) 8.935 21.629 ( -3.236 0.000 -2.743) 4.242 21.644 ( -1.762 0.000 6.068) 6.319 21.684 ( 3.651 0.000 5.548) 6.642 21.847 ( 6.431 0.000 -5.984) 8.784 23.159 ( -3.178 0.000 -1.700) 3.604 23.180 ( 1.247 0.000 1.904) 2.276 23.212 ( -0.097 0.000 1.345) 1.348 23.217 ( -1.447 0.000 -1.548) 2.119 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( -27.436 0.000 1.129) 27.460 1.472 ( -27.744 0.000 13.651) 30.920 1.690 ( -3.692 0.000 -7.811) 8.639 2.032 ( -2.624 0.000 -3.872) 4.677 2.117 ( -2.282 0.000 -1.884) 2.959 2.301 ( -4.858 0.000 3.768) 6.148 2.406 ( 0.797 0.000 -2.084) 2.231 2.467 ( -0.743 0.000 4.490) 4.551 2.555 ( -12.250 0.000 -0.272) 12.253 2.717 ( 7.690 0.000 1.050) 7.761 2.745 ( -26.567 0.000 15.095) 30.555 3.004 ( 2.022 0.000 2.893) 3.530 3.078 ( 12.216 0.000 -1.737) 12.339 3.108 ( -5.679 0.000 -6.810) 8.868 3.153 ( -6.346 0.000 -7.171) 9.576 3.209 ( -5.890 0.000 -3.101) 6.656 3.231 ( 11.794 0.000 -2.287) 12.014 3.269 ( 1.166 0.000 -4.346) 4.500 3.402 ( -0.048 0.000 -2.187) 2.188 3.487 ( -1.318 0.000 0.712) 1.498 3.602 ( -6.079 0.000 1.227) 6.202 3.627 ( 3.068 0.000 -0.499) 3.108 3.666 ( 5.812 0.000 11.568) 12.946 3.715 ( 6.259 0.000 -3.192) 7.026 3.730 ( -4.383 0.000 1.079) 4.514 3.903 ( -7.251 0.000 -6.073) 9.458 3.914 ( -2.796 0.000 2.828) 3.977 4.004 ( -6.415 0.000 -1.787) 6.660 4.028 ( -8.409 0.000 1.469) 8.536 4.218 ( -7.201 0.000 -3.668) 8.081 4.236 ( 1.451 0.000 -4.446) 4.677 4.240 ( 0.765 0.000 6.064) 6.112 4.289 ( 1.773 0.000 4.027) 4.400 4.296 ( 2.567 0.000 5.556) 6.120 4.389 ( -2.834 0.000 -4.730) 5.514 4.415 ( -7.379 0.000 -0.283) 7.384 4.521 ( -1.242 0.000 7.059) 7.167 4.534 ( -8.519 0.000 -1.368) 8.628 4.594 ( 4.420 0.000 2.280) 4.973 4.687 ( -6.992 0.000 -3.821) 7.968 4.697 ( 6.403 0.000 3.912) 7.504 4.814 ( 0.987 0.000 -2.020) 2.248 4.832 ( -6.526 0.000 -2.749) 7.081 5.013 ( 2.096 0.000 -3.956) 4.477 5.027 ( -4.010 0.000 5.546) 6.844 5.129 ( -16.342 0.000 -6.355) 17.534 5.214 ( -2.561 0.000 -7.429) 7.858 5.348 ( 0.750 0.000 5.157) 5.212 5.491 ( -0.038 0.000 -10.333) 10.333 5.536 ( 10.487 0.000 2.091) 10.693 5.690 ( -6.498 0.000 7.977) 10.289 5.694 ( -1.977 0.000 -4.330) 4.760 5.708 ( -1.750 0.000 0.310) 1.777 5.996 ( 3.034 0.000 2.466) 3.910 6.016 ( -3.408 0.000 -0.384) 3.429 6.166 ( 3.219 0.000 -15.336) 15.670 6.210 ( 4.602 0.000 -4.994) 6.791 6.267 ( 3.699 0.000 6.717) 7.668 6.343 ( 0.924 0.000 3.822) 3.932 6.454 ( 4.291 0.000 2.822) 5.136 6.560 ( -0.426 0.000 -1.235) 1.306 6.562 ( 3.451 0.000 6.199) 7.095 6.593 ( 2.362 0.000 -2.093) 3.156 6.752 ( -1.394 0.000 -1.391) 1.969 6.808 ( -2.375 0.000 -0.709) 2.479 6.829 ( -5.340 0.000 3.290) 6.272 6.839 ( 3.463 0.000 8.312) 9.005 6.947 ( 4.732 0.000 -1.579) 4.988 7.080 ( 8.204 0.000 5.009) 9.613 7.095 ( 0.485 0.000 -1.927) 1.987 7.188 ( 0.502 0.000 -3.819) 3.852 7.258 ( 2.875 0.000 0.208) 2.883 7.410 ( 7.265 0.000 0.454) 7.279 7.412 ( -3.263 0.000 -5.809) 6.663 7.463 ( 4.428 0.000 8.593) 9.667 7.563 ( 16.271 0.000 1.238) 16.318 7.607 ( -0.463 0.000 -0.426) 0.629 7.708 ( 8.266 0.000 0.382) 8.275 7.781 ( -2.369 0.000 -7.315) 7.689 7.963 ( -0.158 0.000 11.132) 11.133 8.013 ( -10.330 0.000 -5.807) 11.850 8.148 ( 6.336 0.000 7.775) 10.030 8.397 ( 8.123 0.000 -3.366) 8.793 8.424 ( -1.441 0.000 10.664) 10.761 8.578 ( 0.622 0.000 -0.319) 0.699 8.646 ( 3.500 0.000 -2.860) 4.520 8.829 ( -2.815 0.000 -12.502) 12.815 8.911 ( -3.092 0.000 0.774) 3.187 8.942 ( -2.482 0.000 -2.463) 3.497 8.973 ( 1.010 0.000 -2.968) 3.135 9.070 ( 7.521 0.000 2.510) 7.928 9.132 ( 2.568 0.000 -1.845) 3.162 9.277 ( 1.213 0.000 -2.606) 2.875 9.295 ( -6.121 0.000 3.848) 7.230 9.443 ( -0.465 0.000 -0.920) 1.031 9.458 ( 0.260 0.000 2.111) 2.127 9.584 ( 0.682 0.000 -0.983) 1.197 9.592 ( -1.827 0.000 4.458) 4.818 9.634 ( 4.014 0.000 -6.770) 7.871 9.729 ( 4.139 0.000 -0.309) 4.150 9.772 ( 5.451 0.000 -2.056) 5.826 9.801 ( -2.125 0.000 -0.287) 2.145 9.927 ( 0.257 0.000 -0.263) 0.368 9.947 ( -4.920 0.000 3.004) 5.765 10.298 ( -4.635 0.000 4.293) 6.318 10.341 ( 4.428 0.000 -3.687) 5.762 10.390 ( 4.160 0.000 -1.073) 4.297 10.432 ( -2.054 0.000 3.294) 3.882 10.440 ( -2.942 0.000 -5.507) 6.243 10.553 ( 4.154 0.000 -5.363) 6.783 10.706 ( 1.758 0.000 1.454) 2.281 10.707 ( -2.346 0.000 4.830) 5.370 10.817 ( -2.233 0.000 -0.392) 2.267 10.844 ( 4.208 0.000 5.467) 6.899 10.925 ( -4.281 0.000 -2.538) 4.977 10.976 ( -1.663 0.000 -2.468) 2.976 11.143 ( -4.458 0.000 1.550) 4.720 11.220 ( -1.707 0.000 0.797) 1.884 11.244 ( 1.495 0.000 -2.089) 2.569 11.390 ( -3.480 0.000 -5.392) 6.417 11.441 ( -1.587 0.000 -1.925) 2.495 11.494 ( -0.423 0.000 -3.388) 3.414 11.537 ( 4.092 0.000 2.417) 4.753 11.563 ( -1.189 0.000 5.813) 5.933 11.651 ( -4.119 0.000 -6.443) 7.647 11.672 ( 0.318 0.000 -1.308) 1.346 11.796 ( 1.624 0.000 -0.169) 1.633 11.920 ( 0.857 0.000 6.173) 6.233 11.999 ( -4.920 0.000 -7.529) 8.994 12.283 ( -2.084 0.000 -0.995) 2.310 12.296 ( -3.316 0.000 4.328) 5.452 12.469 ( -2.277 0.000 -0.402) 2.313 12.688 ( -0.670 0.000 4.961) 5.006 12.928 ( 3.640 0.000 -2.736) 4.554 13.034 ( -1.630 0.000 8.497) 8.652 13.246 ( -0.443 0.000 -6.995) 7.009 13.361 ( 5.072 0.000 -16.180) 16.956 13.562 ( 3.374 0.000 2.784) 4.374 13.938 ( -7.405 0.000 4.895) 8.876 14.112 ( -3.721 0.000 -13.876) 14.366 14.463 ( 2.038 0.000 4.489) 4.930 14.509 ( 3.249 0.000 3.844) 5.034 14.534 ( -0.196 0.000 -1.010) 1.029 14.679 ( 2.122 0.000 2.176) 3.040 15.210 ( -2.370 0.000 12.574) 12.796 15.375 ( -3.145 0.000 -3.421) 4.647 15.435 ( -6.076 0.000 4.985) 7.859 15.442 ( 2.505 0.000 -12.156) 12.412 15.594 ( -0.971 0.000 7.902) 7.961 15.864 ( 5.899 0.000 0.336) 5.908 15.915 ( 3.959 0.000 5.115) 6.469 15.930 ( 1.332 0.000 -3.358) 3.613 17.817 ( -0.578 0.000 3.382) 3.431 17.873 ( -1.341 0.000 -7.401) 7.522 17.956 ( -7.198 0.000 1.554) 7.364 17.980 ( -3.140 0.000 -6.487) 7.207 18.710 ( -12.778 0.000 -2.728) 13.066 18.932 ( -9.460 0.000 -8.643) 12.814 19.036 ( -4.125 0.000 6.650) 7.826 19.243 ( -0.370 0.000 3.085) 3.107 19.288 ( -5.138 0.000 -4.265) 6.677 19.307 ( -1.366 0.000 -4.922) 5.108 19.870 ( 3.111 0.000 0.466) 3.146 19.940 ( 3.356 0.000 -1.339) 3.613 20.168 ( 8.472 0.000 12.174) 14.832 20.180 ( -0.338 0.000 -0.102) 0.353 20.351 ( -4.494 0.000 -2.376) 5.083 20.470 ( 3.698 0.000 -0.063) 3.698 20.476 ( 1.053 0.000 5.386) 5.488 20.696 ( 10.666 0.000 3.949) 11.373 21.297 ( 4.457 0.000 -0.493) 4.484 21.475 ( 4.679 0.000 -0.219) 4.684 21.551 ( -3.180 0.000 -2.436) 4.006 21.722 ( 5.407 0.000 0.771) 5.462 21.814 ( 6.275 0.000 9.173) 11.114 21.964 ( 8.009 0.000 -3.836) 8.880 23.076 ( -3.908 0.000 -1.050) 4.047 23.175 ( -1.689 0.000 -1.101) 2.016 23.191 ( -1.868 0.000 1.417) 2.344 23.203 ( -0.827 0.000 0.205) 0.852 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -6.309 0.000 21.253) 22.169 1.150 ( -15.020 0.000 22.749) 27.260 1.640 ( 6.190 0.000 -14.957) 16.187 1.805 ( -22.515 0.000 0.710) 22.527 1.979 ( -9.048 0.000 -6.322) 11.038 2.058 ( -15.291 0.000 -2.444) 15.485 2.335 ( -5.475 0.000 17.712) 18.539 2.442 ( 2.430 0.000 -0.604) 2.504 2.546 ( 0.694 0.000 14.040) 14.057 2.649 ( 6.111 0.000 0.647) 6.145 2.839 ( 2.587 0.000 -2.120) 3.345 2.868 ( -9.150 0.000 1.598) 9.288 2.972 ( -5.964 0.000 -9.770) 11.447 2.985 ( -3.667 0.000 -5.206) 6.368 3.093 ( -2.867 0.000 4.004) 4.925 3.234 ( 3.551 0.000 -0.397) 3.573 3.298 ( 0.585 0.000 1.991) 2.075 3.338 ( -4.584 0.000 1.069) 4.707 3.435 ( -0.838 0.000 -9.357) 9.394 3.472 ( 0.177 0.000 3.839) 3.843 3.473 ( -3.526 0.000 -0.328) 3.542 3.648 ( 3.954 0.000 -7.193) 8.208 3.696 ( -0.015 0.000 0.294) 0.295 3.703 ( -6.479 0.000 -4.195) 7.718 3.776 ( -1.641 0.000 -2.564) 3.045 3.829 ( 0.060 0.000 3.873) 3.874 3.859 ( -2.098 0.000 -3.979) 4.498 3.883 ( 3.405 0.000 2.811) 4.416 3.933 ( 1.053 0.000 -1.518) 1.847 4.035 ( -6.413 0.000 -3.062) 7.107 4.131 ( -12.488 0.000 -3.355) 12.930 4.197 ( -8.835 0.000 -12.072) 14.959 4.299 ( -1.654 0.000 3.519) 3.888 4.342 ( 0.942 0.000 2.185) 2.380 4.348 ( 4.183 0.000 -2.080) 4.672 4.429 ( 4.755 0.000 3.370) 5.828 4.477 ( -6.519 0.000 0.104) 6.520 4.531 ( 0.558 0.000 -2.611) 2.670 4.533 ( -2.398 0.000 6.431) 6.863 4.591 ( 4.992 0.000 5.521) 7.443 4.761 ( 2.336 0.000 -4.442) 5.019 4.822 ( 0.188 0.000 -2.691) 2.698 4.886 ( -2.934 0.000 -2.705) 3.991 4.911 ( 4.013 0.000 4.777) 6.239 5.020 ( -0.164 0.000 7.993) 7.995 5.099 ( -5.726 0.000 -4.012) 6.991 5.163 ( 11.719 0.000 -1.850) 11.864 5.276 ( -4.830 0.000 -0.568) 4.864 5.482 ( -1.388 0.000 -5.016) 5.204 5.562 ( -9.648 0.000 8.976) 13.178 5.611 ( 1.263 0.000 5.287) 5.436 5.653 ( -2.962 0.000 -4.189) 5.130 5.868 ( 12.929 0.000 -0.852) 12.957 5.946 ( -0.932 0.000 -3.333) 3.461 5.999 ( -2.665 0.000 -8.785) 9.181 6.119 ( 2.672 0.000 8.002) 8.436 6.261 ( 7.209 0.000 -4.717) 8.615 6.333 ( -4.165 0.000 -1.200) 4.334 6.431 ( -2.988 0.000 -1.005) 3.152 6.443 ( 1.276 0.000 4.127) 4.320 6.573 ( -4.858 0.000 -1.785) 5.176 6.656 ( 7.475 0.000 7.351) 10.484 6.674 ( -1.826 0.000 6.399) 6.655 6.742 ( 6.638 0.000 -4.043) 7.773 6.783 ( 3.400 0.000 1.063) 3.562 6.858 ( 3.602 0.000 9.348) 10.018 6.886 ( -0.371 0.000 -0.991) 1.059 7.018 ( 0.481 0.000 -4.489) 4.515 7.074 ( -1.362 0.000 -1.824) 2.276 7.188 ( 2.796 0.000 -10.350) 10.721 7.217 ( 1.083 0.000 3.831) 3.981 7.290 ( 3.530 0.000 -2.697) 4.443 7.331 ( -7.941 0.000 -7.161) 10.693 7.483 ( 1.211 0.000 -1.431) 1.875 7.560 ( -0.683 0.000 -9.875) 9.898 7.597 ( 1.483 0.000 1.615) 2.192 7.633 ( 4.104 0.000 5.515) 6.874 7.835 ( -3.028 0.000 4.522) 5.443 7.909 ( 9.637 0.000 4.975) 10.846 7.972 ( -5.834 0.000 13.077) 14.319 7.979 ( 13.424 0.000 0.659) 13.441 8.243 ( -1.704 0.000 10.500) 10.637 8.463 ( -3.547 0.000 -1.100) 3.714 8.479 ( -1.959 0.000 4.976) 5.348 8.601 ( -1.996 0.000 -2.740) 3.390 8.643 ( 7.960 0.000 -0.982) 8.020 8.798 ( -4.594 0.000 -0.822) 4.667 8.809 ( 5.911 0.000 -5.111) 7.814 8.927 ( 4.601 0.000 -4.527) 6.455 8.967 ( -1.090 0.000 -8.042) 8.115 9.178 ( 3.872 0.000 -4.001) 5.568 9.206 ( 4.370 0.000 5.694) 7.178 9.246 ( -3.676 0.000 -2.997) 4.742 9.267 ( -0.404 0.000 5.410) 5.425 9.400 ( -8.158 0.000 -0.753) 8.193 9.453 ( 0.810 0.000 -2.890) 3.001 9.591 ( -0.917 0.000 2.793) 2.940 9.621 ( 2.925 0.000 2.976) 4.173 9.692 ( -0.671 0.000 -4.994) 5.038 9.699 ( 4.852 0.000 -6.172) 7.851 9.816 ( 8.547 0.000 6.166) 10.539 9.888 ( 3.883 0.000 0.008) 3.883 9.927 ( 1.040 0.000 0.787) 1.304 10.029 ( 3.013 0.000 3.222) 4.411 10.164 ( -4.725 0.000 -2.305) 5.258 10.241 ( -7.764 0.000 -8.654) 11.626 10.394 ( -2.970 0.000 4.137) 5.093 10.414 ( 4.061 0.000 -3.531) 5.382 10.520 ( 4.998 0.000 -3.189) 5.929 10.606 ( 1.555 0.000 -3.144) 3.508 10.699 ( -2.492 0.000 5.920) 6.423 10.728 ( -4.327 0.000 -0.449) 4.350 10.769 ( 1.080 0.000 2.946) 3.138 10.808 ( -3.696 0.000 -1.259) 3.905 10.921 ( -2.358 0.000 -5.439) 5.928 10.995 ( 4.348 0.000 1.112) 4.488 11.043 ( -6.929 0.000 0.287) 6.935 11.147 ( -3.567 0.000 3.292) 4.855 11.149 ( -6.870 0.000 -7.200) 9.952 11.285 ( -4.697 0.000 -3.050) 5.601 11.424 ( 0.694 0.000 -1.847) 1.973 11.481 ( -2.529 0.000 0.434) 2.566 11.545 ( -1.777 0.000 1.076) 2.077 11.565 ( 0.361 0.000 2.773) 2.797 11.601 ( 2.179 0.000 -1.116) 2.448 11.695 ( 0.932 0.000 1.808) 2.034 11.834 ( 2.752 0.000 -3.357) 4.340 11.894 ( -1.014 0.000 -0.233) 1.041 11.948 ( -1.559 0.000 4.977) 5.215 12.093 ( -11.799 0.000 2.614) 12.085 12.338 ( 2.001 0.000 -2.772) 3.419 12.415 ( -3.189 0.000 -0.328) 3.206 12.685 ( -2.647 0.000 6.413) 6.938 12.891 ( -3.501 0.000 -1.650) 3.871 13.074 ( -0.601 0.000 4.160) 4.203 13.329 ( 10.129 0.000 -0.983) 10.176 13.346 ( 4.163 0.000 -16.751) 17.261 13.595 ( -0.506 0.000 0.479) 0.697 13.826 ( -6.237 0.000 3.949) 7.382 13.942 ( -5.049 0.000 -8.516) 9.900 14.538 ( 2.012 0.000 3.559) 4.088 14.543 ( 1.642 0.000 -0.560) 1.735 14.604 ( 3.189 0.000 4.238) 5.303 14.708 ( -0.317 0.000 1.748) 1.776 15.222 ( -3.551 0.000 8.922) 9.602 15.287 ( -2.883 0.000 -1.888) 3.446 15.357 ( -5.001 0.000 6.094) 7.883 15.441 ( 4.740 0.000 -11.612) 12.542 15.645 ( 0.245 0.000 9.328) 9.331 15.921 ( 0.170 0.000 -4.746) 4.749 15.990 ( 5.828 0.000 1.609) 6.046 16.089 ( 10.329 0.000 0.305) 10.333 17.768 ( -6.938 0.000 -10.550) 12.627 17.783 ( -6.504 0.000 -1.682) 6.718 17.835 ( -3.494 0.000 4.166) 5.437 17.837 ( -3.765 0.000 -3.225) 4.957 18.483 ( -9.110 0.000 2.227) 9.378 18.697 ( -7.748 0.000 -9.557) 12.303 19.029 ( -0.629 0.000 5.439) 5.475 19.115 ( -9.102 0.000 3.197) 9.647 19.214 ( -3.314 0.000 0.492) 3.350 19.218 ( -2.000 0.000 -6.534) 6.834 19.945 ( 3.683 0.000 0.020) 3.683 20.013 ( 3.492 0.000 -1.748) 3.905 20.154 ( -2.049 0.000 1.281) 2.416 20.197 ( -6.126 0.000 0.193) 6.129 20.431 ( 4.987 0.000 1.364) 5.171 20.528 ( 2.557 0.000 -2.032) 3.266 20.745 ( 23.209 0.000 12.772) 26.491 20.984 ( 13.969 0.000 5.557) 15.034 21.384 ( -0.920 0.000 4.304) 4.401 21.480 ( 0.311 0.000 -2.314) 2.334 21.496 ( -1.516 0.000 -2.785) 3.171 21.759 ( -0.453 0.000 -4.163) 4.188 22.040 ( 8.932 0.000 6.551) 11.077 22.088 ( 5.829 0.000 -1.010) 5.916 23.018 ( -1.379 0.000 0.748) 1.568 23.141 ( -1.509 0.000 -0.285) 1.536 23.142 ( -2.758 0.000 -0.819) 2.877 23.177 ( -1.711 0.000 -0.567) 1.802 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -3.566 4.875 21.044) 21.894 1.330 ( 3.141 12.006 23.429) 26.513 1.533 ( -1.811 0.594 -14.048) 14.177 1.747 ( 4.401 5.215 -20.788) 21.879 1.952 ( 1.835 13.351 3.380) 13.894 1.997 ( -2.320 4.091 -2.450) 5.303 2.417 ( -0.628 6.422 7.441) 9.849 2.474 ( 1.193 2.427 0.181) 2.710 2.552 ( -2.937 -6.697 4.268) 8.467 2.617 ( 3.379 -10.822 0.131) 11.338 2.750 ( 8.376 -6.818 8.186) 13.552 2.816 ( -2.437 -2.969 7.435) 8.368 2.887 ( -0.630 2.268 -3.693) 4.379 2.933 ( -3.286 -7.015 -6.309) 9.991 3.039 ( -0.855 9.683 7.986) 12.580 3.174 ( -2.762 1.696 5.300) 6.213 3.214 ( 2.395 -2.865 -1.097) 3.891 3.378 ( -3.649 6.848 -12.523) 14.733 3.424 ( -0.904 4.408 1.534) 4.754 3.502 ( 1.238 6.418 -3.548) 7.438 3.602 ( -2.486 3.123 -0.121) 3.994 3.647 ( 1.701 2.682 -1.173) 3.386 3.703 ( -4.187 4.978 -0.338) 6.513 3.731 ( 2.459 1.769 -1.296) 3.295 3.765 ( 1.861 2.951 -1.199) 3.689 3.803 ( -0.034 4.362 -5.253) 6.828 3.890 ( -2.290 -0.492 3.069) 3.861 3.908 ( 3.252 -0.608 5.120) 6.095 3.965 ( 3.079 -0.709 -2.524) 4.044 3.984 ( 1.850 -2.770 2.251) 4.020 4.070 ( -6.575 1.046 -2.308) 7.047 4.105 ( -2.809 3.394 -10.249) 11.156 4.170 ( 4.562 7.768 -0.472) 9.021 4.228 ( -1.546 5.161 -6.259) 8.258 4.411 ( -0.015 -3.012 2.512) 3.922 4.432 ( 2.192 -3.358 0.123) 4.012 4.490 ( -0.757 -2.479 3.000) 3.965 4.521 ( 3.002 -3.764 -0.025) 4.814 4.612 ( -3.262 2.692 0.994) 4.345 4.646 ( 3.789 -2.526 -1.057) 4.675 4.718 ( -5.972 -4.385 0.727) 7.445 4.777 ( 3.908 -3.564 -5.254) 7.455 4.903 ( -1.258 2.421 -0.096) 2.730 4.922 ( 2.249 2.452 -2.414) 4.110 5.139 ( 0.425 0.298 7.601) 7.619 5.158 ( 1.273 6.733 8.798) 11.151 5.244 ( 2.558 -3.644 0.560) 4.487 5.293 ( -3.490 3.937 -1.040) 5.363 5.402 ( 2.304 -5.489 4.019) 7.182 5.447 ( -6.019 -1.733 0.637) 6.296 5.574 ( 3.160 -1.854 -0.622) 3.716 5.640 ( 0.264 -9.216 1.873) 9.408 5.770 ( -3.092 -4.885 -2.834) 6.438 5.817 ( 0.073 -8.918 2.781) 9.342 5.964 ( 1.972 -1.449 -7.521) 7.909 6.037 ( -1.998 -14.531 -10.182) 17.855 6.186 ( -0.256 -10.866 5.613) 12.233 6.287 ( -0.553 -7.423 -5.418) 9.207 6.351 ( 10.873 -4.942 2.692) 12.243 6.376 ( -5.854 -2.770 9.199) 11.250 6.487 ( 0.405 -5.012 -3.863) 6.342 6.520 ( -0.818 -5.498 -7.977) 9.722 6.615 ( -2.625 -3.096 7.389) 8.431 6.743 ( -2.013 -5.549 -6.324) 8.651 6.904 ( -0.338 2.586 -0.008) 2.608 6.907 ( -1.005 3.899 -0.133) 4.028 7.028 ( -0.799 2.478 0.079) 2.605 7.057 ( 0.550 1.305 -3.471) 3.749 7.118 ( -1.393 6.281 0.299) 6.441 7.140 ( 1.371 0.943 1.220) 2.063 7.257 ( 4.773 11.240 2.916) 12.555 7.296 ( -5.962 9.442 -2.375) 11.417 7.374 ( -0.022 -1.774 2.288) 2.895 7.435 ( 1.091 -1.784 -3.434) 4.021 7.650 ( -2.109 6.372 2.777) 7.264 7.683 ( 1.562 6.366 -1.340) 6.690 7.789 ( 2.988 4.588 4.363) 7.000 7.854 ( -2.283 2.722 -0.833) 3.649 7.948 ( -3.101 5.974 9.241) 11.433 8.094 ( 6.006 -1.021 -2.985) 6.784 8.162 ( -3.637 -3.642 9.060) 10.420 8.299 ( 2.053 2.544 -4.891) 5.884 8.414 ( 1.928 1.833 8.330) 8.744 8.507 ( -0.252 4.546 2.042) 4.990 8.584 ( 1.698 -0.564 1.567) 2.379 8.694 ( 0.203 0.897 -3.593) 3.709 8.813 ( -2.761 -2.443 -2.946) 4.719 8.826 ( -2.550 -0.085 -4.179) 4.896 8.894 ( -3.405 1.382 0.942) 3.794 8.971 ( 1.267 0.223 -4.617) 4.793 9.168 ( 4.706 -4.157 1.627) 6.487 9.197 ( -0.372 -2.080 -1.664) 2.690 9.268 ( -3.064 5.174 2.225) 6.411 9.298 ( -0.141 2.591 -0.838) 2.727 9.357 ( 2.441 2.650 3.625) 5.111 9.429 ( -0.436 0.654 -3.426) 3.515 9.573 ( -0.855 -0.146 3.362) 3.472 9.653 ( -0.797 -0.476 -0.862) 1.267 9.680 ( -0.435 1.297 -1.401) 1.958 9.714 ( 0.286 -1.383 -2.206) 2.619 9.911 ( -0.594 -0.036 2.245) 2.322 9.951 ( 1.216 0.396 -0.246) 1.303 9.998 ( 1.361 0.656 0.254) 1.532 10.036 ( 0.422 1.259 -2.195) 2.566 10.199 ( 5.518 2.081 -1.339) 6.047 10.239 ( -0.805 4.218 -4.981) 6.576 10.376 ( -2.105 -1.744 5.268) 5.935 10.425 ( -7.485 -4.666 1.392) 8.929 10.495 ( -1.040 -0.609 -1.687) 2.073 10.517 ( 5.691 0.110 -3.644) 6.759 10.601 ( -0.972 -6.738 2.248) 7.170 10.643 ( 0.341 -2.931 -2.123) 3.635 10.772 ( 1.202 -0.309 1.271) 1.776 10.818 ( -3.855 -2.411 -2.882) 5.383 10.844 ( 3.124 0.626 2.409) 3.994 10.903 ( -0.649 -0.223 -3.256) 3.327 10.998 ( 0.032 1.434 2.804) 3.149 11.063 ( -0.085 2.741 -4.230) 5.041 11.184 ( -1.254 -2.752 3.131) 4.353 11.218 ( 2.867 -2.493 0.372) 3.817 11.387 ( -3.130 -3.882 0.368) 5.000 11.413 ( 2.128 -3.802 -2.450) 4.998 11.571 ( 0.273 0.671 2.579) 2.678 11.612 ( 0.125 4.501 0.056) 4.503 11.662 ( -2.022 -0.783 1.992) 2.945 11.718 ( 1.021 4.354 -3.194) 5.496 11.836 ( 3.165 -1.901 3.652) 5.193 11.907 ( -2.513 -1.764 -3.782) 4.871 11.973 ( -2.328 4.328 1.697) 5.199 11.986 ( 2.748 3.111 0.034) 4.151 12.352 ( -0.610 1.450 3.276) 3.634 12.413 ( 1.136 3.260 -2.721) 4.395 12.730 ( -0.737 -4.075 1.833) 4.529 12.752 ( -0.544 -2.902 0.908) 3.090 13.000 ( -1.049 -4.841 6.844) 8.448 13.215 ( 2.481 -7.851 -13.254) 15.603 13.501 ( 6.160 1.780 -0.114) 6.413 13.543 ( -5.355 0.633 -3.463) 6.409 13.864 ( -2.838 6.690 5.765) 9.276 13.982 ( 2.248 8.356 -7.101) 11.194 14.498 ( 2.419 -4.067 2.661) 5.429 14.522 ( -1.253 -4.139 0.481) 4.351 14.659 ( 4.204 -1.354 2.427) 5.040 14.702 ( -5.375 -1.627 -1.718) 5.873 15.238 ( -2.036 1.354 9.172) 9.493 15.247 ( -1.157 1.185 2.493) 2.993 15.317 ( -0.662 0.648 0.738) 1.185 15.458 ( 4.538 -1.776 -7.975) 9.346 15.762 ( 0.394 4.394 9.303) 10.296 15.921 ( -0.902 3.895 -6.771) 7.863 16.031 ( 2.747 -4.651 4.657) 7.132 16.108 ( -4.763 -4.273 -2.977) 7.058 17.642 ( 3.554 2.747 1.914) 4.882 17.695 ( -3.043 2.856 -3.766) 5.621 17.818 ( -3.849 -0.011 0.581) 3.893 17.834 ( 4.471 -0.772 -0.922) 4.630 18.513 ( -0.780 9.885 5.684) 11.429 18.653 ( -1.845 8.210 -9.050) 12.358 19.034 ( -1.551 -0.656 4.796) 5.084 19.099 ( -0.065 -2.273 -1.981) 3.016 19.137 ( 2.236 4.080 4.953) 6.795 19.254 ( -0.464 8.109 -7.199) 10.854 19.920 ( -3.214 -9.751 4.457) 11.193 19.995 ( 2.968 -3.773 -3.408) 5.887 20.119 ( -3.505 -0.634 1.001) 3.699 20.134 ( 3.878 0.883 -0.292) 3.988 20.494 ( 0.698 0.396 1.290) 1.519 20.529 ( -0.594 -0.309 -2.226) 2.325 21.088 ( 5.378 -9.950 3.322) 11.788 21.137 ( -6.039 -8.422 -1.723) 10.505 21.231 ( 9.608 -2.332 4.096) 10.702 21.307 ( -4.130 -4.197 -3.840) 7.029 21.641 ( 1.906 4.218 1.649) 4.913 21.697 ( -4.431 2.396 -3.975) 6.417 22.172 ( -0.915 4.193 4.841) 6.470 22.265 ( 2.386 4.979 -5.608) 7.870 23.046 ( 2.179 0.568 2.095) 3.075 23.085 ( -2.206 0.227 -1.925) 2.936 23.111 ( 0.335 -0.696 1.472) 1.663 23.139 ( -0.656 -0.704 -1.388) 1.689 ======================= Grid point 78 (42/54) ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 3.349 7.387 12.744) 15.106 1.365 ( -0.017 6.596 -9.019) 11.174 1.708 ( 14.451 5.556 9.378) 18.101 1.863 ( 14.434 12.786 -13.683) 23.644 1.995 ( 4.563 1.105 -2.486) 5.312 2.052 ( 5.986 5.778 1.194) 8.405 2.441 ( -0.799 1.875 2.406) 3.153 2.514 ( 1.873 1.468 -1.932) 3.065 2.565 ( 3.188 -10.373 3.546) 11.416 2.689 ( -0.894 -6.746 -5.998) 9.071 2.752 ( 1.099 -12.761 -3.496) 13.277 2.793 ( 0.447 2.408 3.308) 4.116 2.906 ( 1.209 5.654 2.795) 6.422 3.018 ( 8.000 -9.104 1.972) 12.279 3.142 ( -0.022 2.829 -2.904) 4.054 3.203 ( -0.027 2.855 9.208) 9.640 3.277 ( 0.912 -0.968 0.122) 1.336 3.293 ( 2.717 10.072 -1.340) 10.517 3.445 ( 0.230 4.783 3.656) 6.024 3.479 ( -2.701 4.888 0.813) 5.644 3.491 ( 1.637 -2.936 -0.261) 3.372 3.616 ( -1.080 1.551 1.651) 2.510 3.689 ( -7.594 1.420 -2.653) 8.168 3.721 ( -0.869 1.885 -1.673) 2.666 3.778 ( 4.722 3.297 0.794) 5.814 3.807 ( 0.039 -0.449 -0.101) 0.462 3.904 ( 7.745 -0.004 -3.155) 8.363 3.949 ( 1.115 2.141 -0.289) 2.431 3.989 ( 5.319 8.667 -0.155) 10.170 4.079 ( 3.107 4.196 -2.761) 5.906 4.101 ( 7.630 5.963 2.627) 10.034 4.165 ( 3.271 -1.718 3.789) 5.292 4.235 ( 5.697 -0.635 -6.104) 8.374 4.282 ( 4.848 -0.717 1.518) 5.130 4.379 ( 1.182 2.736 -0.532) 3.028 4.434 ( 2.589 -2.771 -0.051) 3.792 4.474 ( -2.176 -1.644 -3.912) 4.769 4.534 ( -2.924 -2.328 1.551) 4.046 4.611 ( 4.180 0.496 -2.315) 4.804 4.643 ( 3.196 -2.229 0.431) 3.920 4.686 ( -1.995 3.940 -0.083) 4.417 4.805 ( 1.273 3.275 -1.486) 3.815 4.889 ( -4.716 0.100 -0.555) 4.749 4.926 ( 3.525 -4.043 -0.847) 5.430 5.086 ( -6.921 -0.530 2.572) 7.402 5.145 ( -4.030 4.045 -1.594) 5.928 5.248 ( -0.959 8.292 -0.293) 8.353 5.296 ( 1.791 0.979 0.591) 2.125 5.437 ( 2.965 -2.529 1.905) 4.338 5.518 ( 3.696 -7.729 3.773) 9.361 5.588 ( 0.746 -3.591 2.992) 4.733 5.697 ( 2.520 -8.309 -6.527) 10.862 5.795 ( 3.812 -7.039 6.726) 10.456 5.827 ( -1.539 -6.376 2.179) 6.911 5.965 ( 2.876 -2.649 -8.260) 9.139 6.000 ( 2.710 -3.046 -0.791) 4.153 6.091 ( -5.623 -9.626 -5.346) 12.364 6.230 ( -3.821 -0.664 3.984) 5.560 6.339 ( 1.776 -9.168 5.551) 10.864 6.403 ( -1.908 -12.862 -5.917) 14.286 6.517 ( 4.232 0.269 -0.628) 4.286 6.559 ( 0.920 -1.488 2.719) 3.233 6.641 ( -4.913 -3.417 6.667) 8.959 6.717 ( 0.308 -5.415 -3.526) 6.469 6.827 ( 0.601 0.283 2.000) 2.107 6.951 ( -1.004 -0.055 -1.313) 1.654 6.965 ( -4.065 3.335 -0.299) 5.267 7.063 ( -1.154 0.119 -0.603) 1.307 7.106 ( 5.002 3.365 4.169) 7.330 7.140 ( -5.354 7.532 -3.336) 9.825 7.237 ( 1.223 4.086 1.143) 4.416 7.287 ( -3.568 0.875 0.309) 3.687 7.332 ( -2.840 5.144 -0.721) 5.920 7.440 ( -0.659 1.101 0.603) 1.418 7.557 ( -6.483 9.086 2.210) 11.378 7.671 ( -2.446 5.772 0.730) 6.311 7.780 ( -4.094 3.302 -5.797) 7.827 7.850 ( -0.599 1.071 3.315) 3.535 7.935 ( -2.526 5.137 6.777) 8.872 8.061 ( -5.911 2.903 -2.486) 7.039 8.188 ( 0.304 -2.671 0.214) 2.697 8.304 ( 0.819 -3.985 -0.215) 4.074 8.397 ( -9.632 3.545 0.995) 10.312 8.502 ( 1.889 0.324 -0.509) 1.983 8.556 ( -6.993 -1.668 -2.097) 7.489 8.656 ( -1.069 -1.491 0.829) 2.013 8.779 ( 3.505 1.700 1.843) 4.310 8.804 ( 2.765 2.639 1.150) 3.991 8.863 ( -1.454 -1.256 0.505) 1.986 8.951 ( -4.232 4.273 -2.880) 6.668 9.106 ( -3.255 -4.433 0.820) 5.560 9.156 ( 0.349 -0.710 -0.549) 0.962 9.287 ( -1.412 0.165 0.388) 1.474 9.339 ( -2.031 -0.457 -0.491) 2.139 9.396 ( 1.549 1.906 1.231) 2.747 9.442 ( 4.467 2.060 -1.701) 5.205 9.588 ( 1.119 1.911 2.640) 3.446 9.632 ( -1.836 1.530 2.087) 3.173 9.655 ( -3.355 2.060 -2.741) 4.797 9.696 ( -0.717 2.869 2.139) 3.649 9.905 ( 0.253 -2.133 -4.266) 4.776 9.953 ( 1.270 1.921 -2.237) 3.210 9.990 ( -6.510 1.123 -5.110) 8.352 10.073 ( 6.070 -0.671 -1.110) 6.207 10.155 ( 3.323 2.754 1.768) 4.664 10.215 ( -2.174 2.822 -3.412) 4.932 10.303 ( -5.900 -1.878 5.995) 8.619 10.399 ( 0.229 -4.932 2.649) 5.603 10.501 ( 1.376 0.037 -2.346) 2.720 10.539 ( -2.758 -2.351 1.650) 3.982 10.662 ( 3.811 -3.086 0.820) 4.972 10.704 ( 3.976 -2.406 -1.482) 4.878 10.799 ( 3.877 -1.150 0.757) 4.115 10.846 ( 0.414 -0.308 -1.724) 1.800 10.894 ( 2.289 1.809 2.232) 3.673 10.956 ( 7.324 -2.826 0.305) 7.856 10.979 ( -1.072 0.701 0.255) 1.306 11.119 ( 4.545 0.836 -2.294) 5.159 11.168 ( 0.211 -4.019 -1.038) 4.157 11.265 ( 1.457 -2.061 -2.126) 3.300 11.297 ( -3.114 -3.948 4.259) 6.590 11.498 ( 3.448 -4.220 -1.726) 5.716 11.556 ( -2.301 -0.623 0.446) 2.425 11.573 ( -2.773 1.384 -0.459) 3.133 11.637 ( 0.849 4.845 1.648) 5.188 11.758 ( 0.132 2.846 -1.077) 3.045 11.818 ( -0.887 -0.334 -0.233) 0.976 11.887 ( 0.777 -2.386 -1.968) 3.189 12.012 ( 4.599 4.319 0.166) 6.312 12.101 ( 6.136 0.833 1.993) 6.505 12.359 ( 0.908 1.749 0.963) 2.193 12.466 ( 4.788 4.590 -2.210) 6.991 12.744 ( 0.479 -5.151 3.118) 6.040 12.766 ( 1.223 -2.936 -0.610) 3.238 13.030 ( -1.476 -3.180 10.167) 10.755 13.189 ( 4.369 -8.312 -14.590) 17.351 13.365 ( -9.444 2.183 -3.580) 10.334 13.607 ( 3.396 1.386 0.443) 3.694 13.856 ( -1.397 5.314 6.439) 8.465 14.000 ( 3.619 5.146 -5.393) 8.286 14.432 ( -4.028 -6.144 -1.014) 7.416 14.525 ( -5.410 -8.863 -2.932) 10.789 14.610 ( 0.288 1.541 2.285) 2.771 14.769 ( 3.012 1.208 2.949) 4.385 15.225 ( -5.143 1.528 11.152) 12.375 15.283 ( 3.118 2.196 0.500) 3.846 15.358 ( 5.163 1.065 -3.371) 6.257 15.488 ( 3.610 -2.085 -8.124) 9.131 15.806 ( -2.570 2.896 8.889) 9.696 15.853 ( -1.126 3.461 -8.016) 8.804 15.966 ( -6.004 -1.541 -0.456) 6.216 16.051 ( -3.583 -0.929 5.306) 6.470 17.652 ( 1.886 0.965 -0.323) 2.142 17.792 ( 2.544 -0.934 -0.695) 2.798 17.799 ( 6.715 2.821 0.088) 7.284 17.943 ( 6.797 1.579 -1.807) 7.208 18.605 ( 5.093 8.222 5.419) 11.086 18.632 ( 4.371 7.077 -1.595) 8.469 19.071 ( 1.454 -1.900 3.362) 4.127 19.105 ( 2.923 -1.070 -1.176) 3.327 19.231 ( 3.640 2.055 -0.185) 4.184 19.262 ( 5.702 7.641 -2.483) 9.852 19.878 ( -3.975 -6.874 3.738) 8.776 20.024 ( -5.532 0.796 0.348) 5.600 20.035 ( 3.046 -8.335 -3.035) 9.379 20.219 ( 3.877 -1.004 -1.025) 4.134 20.465 ( -3.941 0.452 -1.590) 4.273 20.497 ( -1.527 0.143 0.825) 1.742 20.832 ( -14.747 -2.711 -1.999) 15.126 21.093 ( -8.946 -3.647 -6.222) 11.490 21.253 ( 0.170 -7.483 2.579) 7.917 21.380 ( 2.419 -7.241 -2.066) 7.909 21.587 ( -3.267 6.049 1.318) 7.001 21.702 ( 0.955 0.952 3.523) 3.772 22.103 ( -8.235 4.456 3.102) 9.864 22.187 ( -6.142 4.085 -5.064) 8.947 23.050 ( 0.219 0.768 -1.741) 1.915 23.119 ( 3.729 0.338 1.803) 4.156 23.132 ( 0.605 -1.298 -0.915) 1.699 23.157 ( 2.835 -0.498 1.083) 3.076 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 11.557 6.263 -0.652) 13.161 1.581 ( 15.882 9.477 6.150) 19.490 1.903 ( 9.491 2.651 -5.695) 11.382 2.068 ( 10.117 7.426 -9.402) 15.681 2.104 ( 4.617 1.363 -0.236) 4.820 2.277 ( 14.699 4.862 8.763) 17.791 2.442 ( 2.125 3.344 1.678) 4.303 2.464 ( -2.879 -0.313 0.741) 2.990 2.571 ( -2.954 -2.562 -5.908) 7.085 2.652 ( -1.819 -4.877 3.396) 6.215 2.874 ( -1.928 2.236 4.994) 5.801 2.884 ( 3.448 -5.970 4.203) 8.074 2.945 ( 1.435 -5.797 2.876) 6.628 3.007 ( -0.796 -2.028 -0.443) 2.223 3.102 ( -5.139 -0.626 1.582) 5.413 3.191 ( -10.406 0.286 -2.218) 10.644 3.228 ( -0.570 -2.554 0.046) 2.617 3.267 ( 4.120 -3.804 1.046) 5.704 3.397 ( -5.902 -5.213 -2.338) 8.214 3.454 ( -4.845 -3.299 2.998) 6.584 3.596 ( 3.009 1.273 -1.910) 3.784 3.613 ( 7.398 1.392 -0.845) 7.575 3.631 ( 4.656 4.986 -3.048) 7.472 3.761 ( 4.017 -3.869 -0.857) 5.643 3.882 ( -0.129 5.229 -3.307) 6.188 3.908 ( 6.441 5.402 -1.858) 8.609 4.013 ( 0.159 2.831 -1.708) 3.310 4.024 ( 0.429 4.320 -0.413) 4.361 4.093 ( 8.000 0.186 -0.250) 8.006 4.122 ( 8.406 0.997 7.136) 11.072 4.223 ( 6.569 2.236 -1.202) 7.042 4.288 ( 7.043 2.583 0.857) 7.550 4.300 ( 3.043 0.940 0.766) 3.276 4.399 ( 3.368 1.969 -2.171) 4.465 4.426 ( 3.927 -0.061 -3.101) 5.005 4.457 ( 4.758 6.661 -0.413) 8.197 4.536 ( -0.039 -3.354 -2.918) 4.446 4.545 ( 1.213 -0.284 -1.136) 1.686 4.603 ( 8.045 0.100 2.873) 8.543 4.694 ( 3.620 7.546 -0.560) 8.388 4.725 ( -7.322 0.096 -0.958) 7.385 4.795 ( 0.238 2.478 0.577) 2.555 4.879 ( 6.393 -3.196 3.733) 8.064 5.016 ( 8.604 2.823 1.864) 9.245 5.033 ( -1.138 6.646 -7.963) 10.434 5.054 ( 4.756 -2.926 1.118) 5.695 5.252 ( 1.776 5.977 -3.305) 7.057 5.352 ( 1.513 0.876 6.593) 6.821 5.434 ( -4.103 -4.866 -1.121) 6.463 5.512 ( -8.913 -5.132 -0.623) 10.304 5.584 ( 0.733 -4.079 -3.611) 5.497 5.715 ( 1.393 2.650 10.659) 11.071 5.789 ( 2.505 -2.560 1.145) 3.760 5.943 ( 1.986 -5.670 -6.857) 9.117 5.985 ( 3.857 3.903 2.318) 5.957 6.060 ( 0.228 4.609 -1.060) 4.735 6.083 ( 2.145 -15.094 9.716) 18.079 6.199 ( -7.234 1.336 0.165) 7.359 6.304 ( 3.729 -6.892 -5.090) 9.344 6.400 ( 1.109 -5.225 -0.523) 5.367 6.503 ( -3.272 -1.692 0.892) 3.790 6.597 ( -2.547 -0.956 7.227) 7.722 6.649 ( 3.755 -2.921 4.222) 6.360 6.679 ( -1.020 -0.142 -1.885) 2.149 6.867 ( -0.594 0.541 0.103) 0.810 6.901 ( -1.238 1.627 -0.143) 2.049 6.908 ( -1.467 -1.388 -5.465) 5.826 6.983 ( -5.320 2.484 -1.583) 6.081 7.057 ( -2.336 -1.986 -2.496) 3.953 7.102 ( -3.203 -0.290 0.116) 3.218 7.169 ( -5.847 -1.510 -7.414) 9.562 7.267 ( 0.859 -0.197 1.846) 2.046 7.296 ( -4.118 0.810 5.189) 6.674 7.396 ( -3.489 -4.537 0.275) 5.730 7.542 ( 1.679 4.863 7.005) 8.691 7.622 ( -2.746 4.418 -4.158) 6.659 7.648 ( -4.062 3.582 -1.266) 5.562 7.731 ( -10.538 3.442 -3.409) 11.598 7.831 ( -12.984 6.612 -2.359) 14.761 7.969 ( -0.574 1.620 6.892) 7.103 8.130 ( -5.422 -0.245 -5.603) 7.801 8.247 ( -7.764 -2.466 -1.390) 8.264 8.271 ( -4.352 -0.721 7.004) 8.278 8.447 ( -1.847 -4.330 0.367) 4.722 8.532 ( 2.565 -0.299 -1.782) 3.138 8.656 ( 1.052 1.583 5.687) 5.996 8.771 ( -5.052 8.807 0.177) 10.154 8.859 ( 0.249 -5.052 -0.432) 5.077 8.906 ( 5.226 -0.227 1.492) 5.440 8.943 ( 3.464 1.624 1.235) 4.021 9.091 ( 1.474 -0.392 0.157) 1.534 9.154 ( -2.819 -1.098 -4.104) 5.099 9.248 ( 0.347 0.336 -0.408) 0.633 9.327 ( 0.551 -2.244 2.681) 3.539 9.398 ( 1.682 1.574 -1.640) 2.828 9.489 ( -3.754 0.258 4.468) 5.842 9.532 ( -0.925 4.792 0.821) 4.949 9.608 ( 0.585 0.219 -2.559) 2.634 9.681 ( 0.979 -0.923 1.140) 1.764 9.716 ( 1.772 4.371 0.679) 4.765 9.803 ( -5.791 -2.159 -6.165) 8.730 9.853 ( -2.424 3.448 -1.579) 4.501 9.984 ( 0.493 0.886 -6.898) 6.972 10.071 ( 0.118 3.265 -4.248) 5.359 10.216 ( -2.366 -0.170 5.353) 5.855 10.292 ( 5.106 -3.100 2.820) 6.605 10.349 ( 5.156 -0.977 3.671) 6.404 10.402 ( 3.200 0.627 1.137) 3.453 10.455 ( -5.864 -0.257 2.805) 6.505 10.512 ( 1.013 -0.031 -3.271) 3.425 10.694 ( -2.973 -3.917 -1.518) 5.146 10.726 ( 1.275 -2.746 -2.062) 3.662 10.850 ( 2.771 1.178 2.157) 3.704 10.887 ( 1.038 -0.279 -1.416) 1.778 10.940 ( 0.891 3.529 1.305) 3.867 10.969 ( 0.861 0.881 -1.139) 1.678 11.091 ( 5.678 -3.955 1.394) 7.059 11.145 ( 0.156 -1.361 2.056) 2.470 11.216 ( 4.054 -1.874 0.086) 4.467 11.277 ( -1.480 -1.630 2.305) 3.188 11.328 ( 2.807 -2.656 4.392) 5.850 11.477 ( -0.232 0.395 -0.570) 0.731 11.519 ( -1.918 -2.376 -0.509) 3.096 11.603 ( 2.609 -3.126 -3.049) 5.086 11.636 ( -0.644 3.275 2.357) 4.087 11.729 ( -2.093 1.839 -0.451) 2.822 11.836 ( 0.943 4.435 1.193) 4.688 11.902 ( 2.837 -5.406 -3.178) 6.883 12.087 ( 3.509 4.838 -3.864) 7.117 12.198 ( 1.534 -0.080 3.063) 3.427 12.412 ( 3.387 2.301 1.160) 4.256 12.542 ( 4.890 6.472 -4.553) 9.302 12.759 ( -2.117 -6.187 2.731) 7.087 12.778 ( 0.628 -3.374 -1.692) 3.826 13.066 ( -3.452 -2.144 13.050) 13.668 13.186 ( -4.071 3.937 -1.143) 5.777 13.204 ( 6.047 -7.229 -13.620) 16.563 13.630 ( -0.571 2.515 -1.895) 3.201 13.896 ( 0.432 -0.576 7.841) 7.874 14.057 ( 5.038 1.966 -3.761) 6.588 14.344 ( -4.058 -10.101 -3.456) 11.421 14.402 ( -3.758 -11.320 -2.275) 12.143 14.628 ( -0.493 4.060 2.262) 4.673 14.797 ( -1.569 2.789 1.302) 3.455 15.199 ( -4.873 4.170 11.827) 13.454 15.357 ( 4.028 0.525 -1.011) 4.186 15.423 ( 3.909 1.364 -6.478) 7.688 15.517 ( 4.416 -2.934 -5.567) 7.688 15.765 ( -4.589 -0.081 4.267) 6.267 15.778 ( -1.531 2.824 -6.701) 7.432 15.916 ( -1.111 3.485 2.918) 4.679 16.002 ( -3.206 2.953 2.798) 5.179 17.718 ( 2.743 0.607 3.970) 4.863 17.865 ( 4.823 -1.307 -1.560) 5.235 17.914 ( 5.269 2.636 0.126) 5.893 18.050 ( 4.797 2.529 -1.905) 5.747 18.728 ( 8.494 4.089 0.280) 9.431 18.818 ( 8.431 5.151 8.514) 13.042 19.110 ( 2.558 -1.025 -0.274) 2.769 19.202 ( 5.486 -1.574 -0.709) 5.752 19.281 ( 2.303 -0.781 -3.317) 4.113 19.369 ( 3.398 6.953 0.703) 7.770 19.802 ( -5.105 -7.079 3.089) 9.259 19.932 ( -2.989 1.564 0.041) 3.374 20.073 ( 1.954 -9.133 -1.388) 9.443 20.245 ( -0.929 -5.413 -2.790) 6.160 20.354 ( -5.393 0.824 -3.309) 6.381 20.431 ( -5.245 -3.275 -3.544) 7.127 20.621 ( -4.441 4.777 0.436) 6.536 20.888 ( -5.591 3.983 -7.789) 10.382 21.222 ( -4.623 -5.118 3.630) 7.794 21.360 ( -1.252 -5.525 -0.276) 5.672 21.578 ( -0.922 4.208 3.807) 5.749 21.711 ( -1.855 -0.467 2.512) 3.157 21.925 ( -10.936 3.774 2.761) 11.894 21.996 ( -8.468 1.923 -6.609) 10.912 23.074 ( 2.578 0.689 -0.179) 2.675 23.148 ( 1.278 -1.245 0.175) 1.793 23.195 ( 2.658 0.073 0.678) 2.744 23.210 ( 2.094 -0.366 -0.480) 2.179 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 10.410 2.683 9.090) 14.078 1.914 ( 12.497 6.036 1.224) 13.933 2.058 ( 6.224 -6.077 -1.178) 8.778 2.109 ( 0.166 2.811 -5.203) 5.916 2.251 ( 10.890 4.815 -3.276) 12.349 2.413 ( 0.297 4.397 -1.827) 4.770 2.487 ( -5.443 1.700 1.384) 5.867 2.528 ( 6.448 5.373 -2.524) 8.764 2.566 ( -3.073 -1.680 5.446) 6.474 2.682 ( -0.415 1.821 4.443) 4.820 2.754 ( -9.916 3.953 0.481) 10.686 2.785 ( -5.056 -1.412 -3.221) 6.159 2.799 ( 0.291 2.836 7.980) 8.474 3.026 ( -8.460 -7.290 2.742) 11.500 3.053 ( 2.828 0.511 9.612) 10.033 3.145 ( 3.522 -4.425 4.483) 7.217 3.283 ( 3.025 -7.319 4.836) 9.279 3.345 ( 4.823 -2.439 0.316) 5.414 3.413 ( -0.407 -7.196 -3.590) 8.052 3.421 ( 2.733 -9.543 -3.084) 10.395 3.564 ( -5.186 -2.456 -3.409) 6.674 3.665 ( 2.794 5.208 -2.860) 6.566 3.685 ( -4.852 -0.561 -7.483) 8.936 3.743 ( 2.964 0.216 -3.987) 4.973 3.856 ( 2.722 1.408 3.642) 4.760 3.963 ( -1.069 -1.799 1.022) 2.329 4.059 ( 2.320 3.275 -0.493) 4.044 4.092 ( 6.056 1.242 -4.244) 7.498 4.126 ( -2.702 2.942 -0.096) 3.996 4.213 ( -1.018 2.705 -0.292) 2.905 4.271 ( -0.828 -3.171 -0.977) 3.419 4.319 ( -0.606 5.158 1.124) 5.314 4.356 ( 1.239 6.769 -1.768) 7.105 4.450 ( 0.571 -2.188 -1.318) 2.618 4.473 ( 0.174 -2.244 -1.030) 2.475 4.502 ( -0.635 3.264 -4.839) 5.871 4.563 ( 3.028 1.906 -3.644) 5.106 4.596 ( 2.289 0.169 -3.664) 4.323 4.631 ( 5.555 5.057 1.917) 7.753 4.753 ( -1.230 3.237 3.661) 5.039 4.778 ( 2.949 1.774 -2.180) 4.074 4.829 ( -0.651 1.306 -3.771) 4.043 4.939 ( 1.210 2.932 -0.786) 3.267 5.027 ( 4.791 2.357 1.011) 5.434 5.123 ( 3.303 2.340 -3.317) 5.234 5.173 ( -2.734 -1.642 -4.177) 5.256 5.301 ( 2.743 2.965 1.985) 4.501 5.386 ( 6.796 4.699 8.325) 11.729 5.477 ( 11.532 -1.000 2.847) 11.921 5.536 ( 4.646 1.046 5.571) 7.329 5.602 ( 0.984 -3.347 3.993) 5.303 5.771 ( -0.218 -0.386 6.633) 6.648 5.877 ( -1.417 1.681 5.168) 5.616 5.887 ( -7.859 6.675 -0.693) 10.334 5.971 ( 7.020 -5.694 -5.973) 10.834 6.001 ( -6.558 5.929 8.284) 12.116 6.073 ( -4.028 -0.691 -1.922) 4.516 6.172 ( 0.266 -4.388 3.656) 5.717 6.372 ( 3.897 -2.724 -4.682) 6.673 6.427 ( 0.979 -2.579 4.085) 4.928 6.510 ( 2.696 -0.377 -1.670) 3.194 6.556 ( -0.258 1.133 1.508) 1.904 6.609 ( -2.399 -0.712 -4.669) 5.298 6.740 ( -0.302 -1.693 6.347) 6.576 6.769 ( -8.165 -0.925 -5.783) 10.048 6.877 ( -4.207 -0.101 -3.024) 5.182 6.893 ( 1.119 -0.652 -0.315) 1.333 6.921 ( 2.853 0.848 -3.254) 4.410 6.951 ( -6.393 -4.429 -5.713) 9.650 7.066 ( 1.123 -1.718 -5.064) 5.464 7.130 ( 1.236 -0.978 2.497) 2.953 7.218 ( -2.846 -2.299 2.997) 4.729 7.252 ( 1.539 -4.566 -2.959) 5.655 7.357 ( -3.302 -3.609 1.700) 5.179 7.433 ( -5.093 3.201 -2.506) 6.517 7.495 ( -6.560 1.184 -0.970) 6.737 7.584 ( -5.851 5.892 -1.452) 8.429 7.642 ( -2.915 -1.871 -2.651) 4.362 7.728 ( 5.307 -0.695 7.473) 9.192 7.945 ( -5.385 -2.744 2.448) 6.521 8.005 ( -4.055 0.854 3.047) 5.144 8.103 ( -2.865 -1.212 -3.370) 4.586 8.291 ( 2.826 1.994 5.346) 6.367 8.426 ( -2.888 -3.228 1.230) 4.502 8.582 ( 3.309 3.528 0.006) 4.837 8.670 ( -5.022 6.952 0.481) 8.590 8.738 ( 1.843 0.158 7.277) 7.508 8.861 ( 0.429 -5.466 -0.048) 5.483 8.973 ( 2.237 1.836 -1.645) 3.329 9.026 ( 1.914 0.287 -1.537) 2.472 9.069 ( 0.682 -1.331 -4.960) 5.180 9.104 ( -1.446 -1.241 0.701) 2.030 9.273 ( 3.152 3.652 1.801) 5.149 9.402 ( 1.222 0.839 2.570) 2.967 9.419 ( 1.868 0.348 -1.169) 2.231 9.471 ( 1.655 0.162 2.720) 3.188 9.554 ( -3.168 1.734 -0.198) 3.617 9.582 ( -3.184 0.261 0.205) 3.201 9.613 ( -1.502 -0.032 -3.693) 3.987 9.730 ( -0.402 1.355 -3.630) 3.896 9.761 ( 5.102 -1.166 -1.373) 5.410 9.809 ( -3.036 -1.080 1.268) 3.462 9.942 ( 0.415 2.179 -2.100) 3.054 10.045 ( -2.402 -0.697 -3.646) 4.422 10.243 ( 2.463 3.698 2.855) 5.281 10.291 ( -3.394 0.646 2.238) 4.116 10.350 ( -1.358 0.936 1.741) 2.398 10.463 ( 0.000 0.558 -4.668) 4.701 10.502 ( 5.008 -2.428 -1.114) 5.676 10.545 ( 1.895 -3.455 -0.116) 3.942 10.639 ( -1.359 -0.648 2.939) 3.303 10.707 ( -0.390 -2.681 -0.369) 2.734 10.842 ( -1.310 2.595 -1.735) 3.386 10.886 ( -1.388 4.020 -1.429) 4.486 10.990 ( 2.678 -0.717 0.867) 2.905 10.998 ( 1.653 -0.787 0.368) 1.868 11.144 ( 1.390 -1.008 -1.374) 2.199 11.213 ( -4.004 0.499 -0.619) 4.082 11.221 ( 3.711 -3.911 4.858) 7.257 11.284 ( -0.731 -4.102 5.998) 7.303 11.434 ( 3.708 2.211 5.324) 6.855 11.478 ( 0.958 1.639 1.474) 2.403 11.528 ( 1.189 -0.291 -0.299) 1.260 11.603 ( 1.224 -0.952 0.804) 1.747 11.657 ( -0.512 0.150 -0.928) 1.070 11.677 ( -1.970 -0.382 -0.688) 2.121 11.845 ( 0.608 3.172 -1.338) 3.496 11.932 ( 1.122 -5.538 -4.727) 7.367 12.106 ( 1.616 4.662 -2.216) 5.409 12.207 ( -0.470 1.670 -1.963) 2.620 12.466 ( -0.566 3.214 5.310) 6.233 12.593 ( 2.218 4.062 -5.346) 7.071 12.691 ( -4.250 -0.126 3.050) 5.233 12.766 ( 1.172 -3.511 -5.165) 6.354 13.032 ( -6.044 -3.792 11.999) 13.960 13.232 ( 6.701 -4.324 -11.385) 13.900 13.274 ( 6.701 1.286 3.858) 7.838 13.562 ( -3.814 2.762 -5.738) 7.423 13.957 ( 0.122 -4.571 8.835) 9.948 14.126 ( 3.828 -2.047 -4.300) 6.110 14.267 ( -0.996 -12.967 -2.168) 13.185 14.332 ( -2.413 -9.216 -2.674) 9.895 14.639 ( 0.590 4.186 2.914) 5.134 14.745 ( -3.060 2.797 -1.132) 4.297 15.184 ( -4.896 4.535 13.294) 14.875 15.396 ( 2.370 -0.140 -6.476) 6.898 15.462 ( 3.222 0.472 -2.005) 3.824 15.551 ( 0.538 -2.383 -3.751) 4.476 15.710 ( -3.320 1.535 2.206) 4.271 15.734 ( 1.060 2.179 -3.610) 4.348 15.919 ( -0.760 4.981 3.398) 6.078 15.972 ( -0.770 3.990 -0.342) 4.078 17.789 ( 0.914 2.213 6.048) 6.505 17.912 ( 2.078 1.598 -3.918) 4.714 18.022 ( 4.175 0.183 1.350) 4.392 18.094 ( 0.823 1.589 -1.875) 2.592 18.941 ( 10.786 1.063 4.468) 11.723 19.012 ( 5.343 1.177 8.431) 10.050 19.177 ( 2.548 2.525 2.255) 4.237 19.234 ( -2.480 -1.776 -4.285) 5.260 19.255 ( -0.670 -0.906 -5.100) 5.223 19.348 ( -3.603 3.187 -4.227) 6.404 19.799 ( 1.780 -5.390 6.405) 8.559 19.932 ( 2.148 2.995 0.853) 3.784 20.068 ( -2.018 -7.159 -1.603) 7.609 20.125 ( -5.440 -3.898 -7.377) 9.960 20.272 ( -1.925 -5.136 -1.929) 5.814 20.305 ( -2.939 -7.507 -4.924) 9.446 20.619 ( 1.175 8.065 3.958) 9.060 20.782 ( -2.203 8.247 -6.153) 10.522 21.197 ( 0.734 -0.689 4.392) 4.506 21.321 ( -2.945 -2.390 -0.522) 3.828 21.595 ( 0.763 1.466 4.080) 4.402 21.679 ( -2.729 -1.036 2.089) 3.590 21.751 ( -7.447 2.467 2.017) 8.100 21.831 ( -2.420 -0.150 -7.209) 7.606 23.132 ( 2.589 0.307 1.267) 2.899 23.179 ( 1.132 -0.944 0.960) 1.759 23.213 ( -0.475 0.239 -0.769) 0.935 23.233 ( 0.495 -0.385 -1.148) 1.308 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -2.023 2.830 8.281) 8.982 1.864 ( -14.424 3.172 -9.561) 17.593 2.049 ( -10.601 2.459 -1.399) 10.972 2.077 ( -4.374 -2.601 3.390) 6.115 2.170 ( -13.148 7.834 1.249) 15.356 2.315 ( -0.771 4.609 6.106) 7.689 2.470 ( -5.798 1.768 4.047) 7.288 2.527 ( -1.336 1.775 -0.462) 2.269 2.571 ( 2.060 -1.087 2.312) 3.281 2.699 ( 2.622 1.443 -0.510) 3.036 2.765 ( 7.881 -3.542 -0.646) 8.664 2.841 ( 13.711 2.513 -4.022) 14.508 2.931 ( 4.281 -3.937 -3.172) 6.625 3.081 ( 4.885 -3.240 7.873) 9.816 3.122 ( 2.993 -5.403 0.292) 6.184 3.239 ( -3.722 1.944 -4.383) 6.069 3.307 ( 1.576 -0.336 -1.225) 2.024 3.334 ( 0.245 -6.640 -0.216) 6.648 3.349 ( -5.332 1.811 -8.565) 10.250 3.460 ( 1.608 -3.235 -2.559) 4.427 3.502 ( 1.988 -3.475 7.890) 8.848 3.608 ( 3.231 -2.757 2.124) 4.749 3.640 ( -6.204 -1.724 -5.246) 8.306 3.759 ( 0.772 2.236 -5.745) 6.213 3.891 ( -2.862 -1.855 3.429) 4.837 3.928 ( -6.572 1.099 5.385) 8.568 4.009 ( -4.701 1.323 0.689) 4.933 4.094 ( 0.955 1.656 5.485) 5.809 4.106 ( -1.096 -0.489 -3.541) 3.739 4.155 ( -1.073 -1.561 -1.585) 2.470 4.273 ( -5.172 -1.659 0.807) 5.491 4.308 ( -6.732 4.888 7.126) 10.954 4.325 ( -2.729 7.754 0.700) 8.250 4.396 ( -0.634 0.581 -2.167) 2.332 4.413 ( -0.100 -2.330 -0.114) 2.335 4.498 ( -2.962 2.093 3.511) 5.048 4.526 ( -5.541 2.128 -1.392) 6.097 4.571 ( 1.740 4.061 -2.779) 5.220 4.640 ( -1.771 2.327 3.681) 4.702 4.721 ( -0.732 5.573 -2.857) 6.305 4.751 ( 1.404 3.187 -0.532) 3.523 4.925 ( 4.197 -2.773 -3.599) 6.186 5.008 ( -2.599 -0.839 0.797) 2.845 5.027 ( -2.813 -0.102 -5.609) 6.276 5.091 ( 3.453 4.151 -1.610) 5.634 5.168 ( 2.338 -0.376 -6.033) 6.481 5.350 ( -9.038 1.467 -3.304) 9.734 5.432 ( -2.491 5.625 4.376) 7.550 5.558 ( -7.754 -2.049 2.159) 8.306 5.583 ( -4.857 6.025 -5.949) 9.762 5.627 ( 0.289 -1.905 4.388) 4.793 5.787 ( 12.157 -2.086 5.798) 13.630 5.837 ( -1.134 2.473 2.147) 3.466 5.889 ( -1.500 0.202 5.993) 6.181 5.904 ( -1.693 4.659 1.028) 5.063 6.063 ( 8.521 -2.207 -5.426) 10.340 6.156 ( -2.894 -0.415 1.364) 3.227 6.298 ( 8.060 -1.798 -2.272) 8.565 6.360 ( -7.574 -1.691 -8.495) 11.506 6.412 ( 2.695 -3.859 2.769) 5.461 6.484 ( 1.156 0.584 7.234) 7.349 6.543 ( -1.056 3.214 -4.007) 5.244 6.567 ( -6.382 -1.685 -3.707) 7.570 6.697 ( -0.313 -0.982 4.355) 4.476 6.735 ( 3.040 -1.415 4.589) 5.683 6.764 ( 8.290 0.258 2.322) 8.613 6.876 ( -1.641 -2.185 -1.168) 2.972 6.961 ( 0.159 0.077 -4.324) 4.328 6.968 ( 0.370 1.358 -1.867) 2.338 7.052 ( 4.449 -2.960 -6.400) 8.338 7.144 ( 0.450 -2.179 2.862) 3.625 7.207 ( 2.327 -1.924 -2.227) 3.752 7.243 ( -3.988 -4.762 0.462) 6.228 7.344 ( -2.018 1.994 7.856) 8.353 7.411 ( 6.716 -0.966 -1.580) 6.967 7.491 ( 0.028 -1.892 -1.243) 2.264 7.570 ( 5.169 1.512 2.790) 6.065 7.608 ( 5.429 0.864 -3.279) 6.401 7.835 ( -4.900 -2.631 -1.124) 5.675 7.877 ( 4.394 -0.890 6.211) 7.660 8.023 ( 3.414 3.101 5.128) 6.896 8.114 ( 4.873 -1.803 -5.939) 7.891 8.330 ( -4.143 -0.330 1.043) 4.285 8.417 ( 2.833 0.995 3.502) 4.613 8.578 ( -4.377 3.232 -0.088) 5.441 8.665 ( 4.822 5.994 0.809) 7.736 8.810 ( 2.235 -3.933 3.555) 5.753 8.877 ( 1.393 -3.542 -1.399) 4.056 8.963 ( -1.249 1.307 -2.612) 3.176 9.016 ( 2.308 0.945 -4.588) 5.222 9.059 ( -2.945 0.565 -1.483) 3.345 9.113 ( 1.554 -0.188 -0.007) 1.565 9.330 ( -4.851 -0.096 -1.360) 5.038 9.345 ( -1.444 1.755 1.955) 2.997 9.424 ( -0.978 -0.324 -0.475) 1.134 9.509 ( 0.559 0.384 3.712) 3.774 9.527 ( 4.059 1.948 -0.678) 4.553 9.562 ( 0.470 -2.080 -0.464) 2.182 9.642 ( 1.812 4.497 4.211) 6.422 9.668 ( -1.284 0.872 -5.332) 5.553 9.759 ( -1.529 -2.806 -1.693) 3.616 9.840 ( 1.764 1.156 -0.801) 2.256 9.956 ( -2.186 -0.797 -1.498) 2.768 9.987 ( 1.807 -1.596 -0.194) 2.419 10.253 ( 0.398 2.792 1.398) 3.147 10.323 ( 2.480 2.924 0.657) 3.890 10.379 ( 1.536 1.504 2.443) 3.254 10.417 ( 0.719 1.109 -4.123) 4.330 10.499 ( -3.053 -3.417 -1.407) 4.793 10.550 ( -0.796 -3.370 -1.205) 3.667 10.650 ( 0.142 -1.171 3.161) 3.374 10.725 ( 0.991 -0.544 -2.702) 2.929 10.835 ( -1.303 3.219 -0.619) 3.528 10.842 ( 0.319 3.590 2.024) 4.133 10.998 ( -2.178 -1.893 0.132) 2.888 11.011 ( -0.868 -1.767 -0.212) 1.980 11.117 ( -3.024 -1.225 0.329) 3.279 11.186 ( -0.875 -1.168 3.154) 3.475 11.256 ( 0.295 -2.011 -0.234) 2.046 11.349 ( 4.911 -4.398 1.674) 6.802 11.481 ( -1.210 1.007 0.349) 1.612 11.504 ( -0.922 1.207 -1.998) 2.510 11.547 ( -1.458 1.497 5.158) 5.565 11.592 ( -1.011 2.978 -0.967) 3.290 11.647 ( -0.751 -3.133 -1.706) 3.646 11.671 ( 2.862 0.078 -0.386) 2.889 11.833 ( -2.429 -1.039 -0.654) 2.722 11.911 ( 3.055 1.970 -5.703) 6.763 12.116 ( -2.673 0.707 0.551) 2.819 12.197 ( 3.333 2.911 -3.667) 5.747 12.446 ( -6.160 3.712 7.815) 10.621 12.533 ( -3.811 -0.311 1.135) 3.988 12.706 ( 2.477 4.250 -0.318) 4.929 12.788 ( 4.743 -4.113 -5.941) 8.643 12.990 ( -5.825 -5.275 11.381) 13.830 13.269 ( 4.907 -3.081 -12.386) 13.674 13.429 ( -3.509 1.316 -10.549) 11.194 13.454 ( 6.884 2.260 6.009) 9.413 13.997 ( -2.048 -3.126 8.172) 8.986 14.135 ( 1.712 -7.753 -9.220) 12.167 14.239 ( -2.313 -10.646 1.667) 11.021 14.315 ( 2.652 -7.603 -1.464) 8.185 14.683 ( -0.994 3.954 -0.733) 4.142 14.698 ( 2.182 3.645 2.449) 4.904 15.180 ( -4.397 2.385 14.624) 15.456 15.391 ( 1.664 -0.236 -6.965) 7.165 15.485 ( -2.792 -2.031 -2.177) 4.082 15.499 ( -1.084 0.444 -0.032) 1.172 15.654 ( -3.417 3.347 2.720) 5.502 15.764 ( 2.690 0.091 -1.930) 3.312 15.940 ( 1.386 6.068 2.730) 6.796 15.966 ( 0.736 3.966 -1.374) 4.261 17.818 ( -1.654 2.150 4.977) 5.668 17.905 ( -0.062 0.207 -4.742) 4.747 18.054 ( -3.511 0.321 -2.144) 4.126 18.072 ( 0.281 1.371 0.560) 1.508 19.008 ( -11.479 2.395 -0.397) 11.733 19.090 ( -3.453 -0.132 6.338) 7.219 19.151 ( 0.757 -0.777 -0.234) 1.110 19.182 ( -3.034 1.378 -1.152) 3.526 19.240 ( 3.988 -0.671 -3.779) 5.534 19.345 ( 7.319 2.991 -4.419) 9.057 19.843 ( -3.612 -3.467 5.325) 7.309 19.957 ( -3.257 -2.218 3.889) 5.536 19.990 ( 2.848 0.350 -4.845) 5.631 20.105 ( 4.988 -5.096 -3.617) 7.996 20.242 ( 0.544 -7.190 1.210) 7.312 20.272 ( 0.997 -8.389 -2.002) 8.682 20.677 ( 1.185 9.615 4.957) 10.882 20.697 ( -2.525 8.452 -4.174) 9.759 21.258 ( -0.586 -0.762 -1.214) 1.549 21.301 ( 5.179 -2.022 0.990) 5.647 21.628 ( -2.322 0.358 2.263) 3.262 21.674 ( 3.405 -0.873 5.469) 6.502 21.689 ( 0.775 3.827 0.799) 3.985 21.844 ( 6.932 -0.432 -5.603) 8.924 23.159 ( -2.851 0.056 -1.447) 3.198 23.178 ( 0.914 -0.231 1.365) 1.659 23.208 ( -0.793 -0.346 0.636) 1.074 23.214 ( -0.842 -0.316 -0.533) 1.045 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -24.931 8.624 -0.451) 26.385 1.679 ( -17.545 11.921 1.801) 21.288 1.735 ( -9.667 8.949 3.178) 13.551 2.052 ( -1.102 1.041 -4.108) 4.379 2.070 ( -1.399 -3.200 0.727) 3.568 2.289 ( -8.559 -1.684 2.785) 9.157 2.396 ( -0.307 -1.087 3.897) 4.057 2.503 ( -0.346 2.678 0.326) 2.720 2.617 ( -3.698 3.383 -2.303) 5.516 2.684 ( 2.077 -0.858 0.621) 2.331 2.803 ( -13.587 0.744 10.599) 17.248 2.879 ( -13.483 -6.504 3.746) 15.431 3.000 ( -3.557 -5.448 -7.525) 9.948 3.088 ( 5.718 -0.986 -0.717) 5.846 3.146 ( -0.919 1.201 1.897) 2.426 3.198 ( -0.497 2.041 -5.309) 5.710 3.239 ( -1.013 -2.679 -5.471) 6.175 3.262 ( 12.410 0.541 -5.978) 13.785 3.436 ( 3.291 -4.465 -3.794) 6.720 3.492 ( -2.086 1.809 4.184) 5.013 3.534 ( 3.226 0.989 -1.047) 3.533 3.555 ( 0.414 -4.277 7.481) 8.627 3.710 ( -3.974 4.685 -0.868) 6.205 3.719 ( 2.587 -2.326 -3.579) 4.991 3.849 ( 4.619 1.179 0.741) 4.824 3.903 ( -3.351 4.300 -5.054) 7.434 3.959 ( -1.190 4.981 5.092) 7.222 4.010 ( -3.045 3.490 -1.564) 4.889 4.044 ( -10.614 -0.270 2.173) 10.837 4.133 ( -4.445 -4.298 2.889) 6.825 4.213 ( -3.135 -4.418 2.337) 5.900 4.252 ( -5.350 -0.561 2.185) 5.806 4.284 ( 3.915 0.515 8.261) 9.156 4.347 ( -0.623 2.690 -3.700) 4.616 4.401 ( -4.015 -0.665 0.251) 4.078 4.421 ( -8.071 2.427 0.859) 8.471 4.515 ( -3.353 0.385 1.508) 3.697 4.545 ( 6.057 -0.255 1.130) 6.167 4.671 ( -6.675 -0.101 -2.989) 7.314 4.687 ( -4.819 9.878 -0.488) 11.001 4.743 ( 5.428 6.913 -0.975) 8.843 4.841 ( -2.295 -0.500 -1.958) 3.058 4.911 ( -4.039 1.669 -0.307) 4.381 4.970 ( -3.517 -0.359 -1.729) 3.935 5.035 ( -3.575 0.175 -0.489) 3.613 5.141 ( -8.837 -0.159 -3.795) 9.619 5.202 ( -2.494 0.236 0.538) 2.562 5.401 ( -2.342 0.987 1.770) 3.098 5.457 ( -2.095 -4.095 -3.295) 5.659 5.505 ( 4.744 4.835 -2.424) 7.195 5.570 ( -3.744 -6.787 0.980) 7.812 5.752 ( -7.058 -9.406 -0.212) 11.762 5.858 ( -1.621 6.020 2.531) 6.729 5.878 ( -0.203 10.087 -0.773) 10.118 6.078 ( 5.997 -1.025 -0.662) 6.120 6.124 ( -1.598 -2.021 -3.203) 4.111 6.158 ( -6.249 -6.308 -1.617) 9.026 6.218 ( -0.135 -7.254 -7.898) 10.724 6.262 ( 6.367 2.098 0.460) 6.720 6.416 ( -3.455 -5.937 -7.386) 10.087 6.507 ( 2.473 -2.801 3.584) 5.177 6.579 ( 4.576 0.244 4.921) 6.724 6.643 ( 6.178 1.086 -0.633) 6.304 6.738 ( -3.607 -2.693 2.315) 5.062 6.796 ( -2.084 -1.768 0.664) 2.812 6.842 ( 9.203 0.337 8.457) 12.504 6.890 ( -2.960 2.926 0.341) 4.176 6.980 ( 3.307 5.848 -4.691) 8.194 7.029 ( 6.108 -3.511 5.698) 9.061 7.088 ( 3.845 -1.502 -3.170) 5.204 7.162 ( 1.161 -6.063 -4.301) 7.524 7.236 ( 2.919 -1.784 1.054) 3.579 7.351 ( 8.890 -1.430 1.948) 9.213 7.356 ( 0.006 2.035 3.401) 3.964 7.483 ( 2.733 -1.369 1.921) 3.610 7.641 ( 12.274 5.269 0.356) 13.362 7.678 ( 4.046 3.170 1.987) 5.510 7.733 ( -1.131 -3.607 -3.057) 4.862 7.778 ( 8.093 6.544 1.300) 10.488 7.975 ( 0.616 1.667 8.459) 8.644 8.082 ( -4.538 5.359 -5.443) 8.885 8.195 ( 8.289 4.689 3.658) 10.202 8.331 ( 4.503 -3.598 0.912) 5.836 8.448 ( 0.334 0.046 3.317) 3.334 8.497 ( -4.297 -3.098 -0.067) 5.298 8.766 ( 3.743 6.383 -0.947) 7.460 8.814 ( -1.050 -1.120 -7.843) 7.991 8.884 ( 1.053 -4.250 -2.649) 5.118 8.941 ( -3.580 1.485 -0.479) 3.906 8.999 ( 1.987 2.502 -3.137) 4.477 9.069 ( 4.106 -0.494 1.177) 4.300 9.113 ( 0.282 -1.882 -1.603) 2.488 9.241 ( -2.425 -1.003 0.958) 2.794 9.317 ( -2.988 -0.947 1.086) 3.317 9.399 ( 0.519 0.416 -0.609) 0.902 9.520 ( -0.592 0.642 4.138) 4.229 9.546 ( -1.566 1.507 0.012) 2.173 9.612 ( 2.307 -0.874 -4.599) 5.219 9.682 ( 2.602 1.162 2.632) 3.879 9.725 ( 2.183 1.273 -1.222) 2.807 9.758 ( 5.841 -0.144 -3.096) 6.612 9.845 ( -0.572 3.882 1.003) 4.051 9.904 ( -0.916 -0.128 -0.141) 0.936 9.987 ( -2.410 0.979 3.779) 4.588 10.284 ( -1.116 0.442 -0.678) 1.378 10.344 ( 1.759 -1.938 -1.655) 3.096 10.401 ( -0.871 2.657 -1.114) 3.010 10.421 ( -0.452 -1.226 -4.282) 4.477 10.464 ( -0.317 1.898 2.883) 3.466 10.546 ( 5.662 -0.949 -5.683) 8.078 10.672 ( 0.503 -2.740 1.858) 3.348 10.686 ( -3.312 -1.933 0.740) 3.905 10.839 ( -2.062 1.595 2.847) 3.860 10.868 ( 2.687 1.952 2.335) 4.060 10.909 ( -5.046 -0.354 -0.572) 5.091 10.997 ( 0.164 0.902 -1.247) 1.548 11.086 ( -3.956 -4.893 0.630) 6.324 11.128 ( -2.875 -4.301 3.171) 6.068 11.281 ( -1.610 0.133 -3.612) 3.957 11.368 ( -2.925 -3.780 -6.204) 7.831 11.425 ( -2.615 -0.600 -4.342) 5.104 11.476 ( 0.068 -1.267 3.485) 3.708 11.497 ( -0.007 -1.132 -2.046) 2.338 11.595 ( -0.747 -3.782 -1.850) 4.276 11.652 ( 1.317 4.492 1.969) 5.078 11.695 ( -0.029 1.895 0.154) 1.901 11.815 ( 0.801 0.368 1.757) 1.966 11.934 ( -0.326 0.250 -3.975) 3.996 12.029 ( -4.106 5.152 -0.054) 6.588 12.247 ( 0.898 -1.645 -2.389) 3.037 12.340 ( -7.612 3.576 7.501) 11.270 12.490 ( -2.339 1.360 2.158) 3.461 12.743 ( 0.970 1.836 0.108) 2.079 12.833 ( 0.919 -6.546 -2.897) 7.217 12.966 ( -2.558 -5.800 9.070) 11.065 13.258 ( 0.467 2.883 -6.536) 7.159 13.342 ( 4.128 -3.095 -15.937) 16.752 13.586 ( 3.387 1.606 3.024) 4.816 13.964 ( -5.359 2.526 5.450) 8.050 14.078 ( -0.515 -3.930 -10.652) 11.366 14.275 ( 4.326 -10.156 3.375) 11.543 14.368 ( 2.729 -9.347 1.094) 9.799 14.659 ( -0.251 5.042 -1.441) 5.250 14.775 ( 2.255 4.277 3.347) 5.880 15.198 ( -3.207 -0.011 14.111) 14.471 15.364 ( -2.432 -0.431 -1.536) 2.908 15.403 ( -2.945 -1.608 -1.014) 3.505 15.451 ( -2.367 0.144 -3.517) 4.242 15.643 ( -0.466 4.255 5.922) 7.307 15.807 ( 2.917 -2.219 0.501) 3.699 15.972 ( 1.250 3.804 -2.892) 4.939 16.019 ( 4.833 5.337 1.232) 7.305 17.779 ( -4.245 -2.431 -0.124) 4.893 17.852 ( -2.842 -0.300 -1.603) 3.277 17.939 ( -6.152 0.433 -2.095) 6.513 18.043 ( -3.141 1.725 -1.533) 3.897 18.758 ( -11.336 4.916 -2.555) 12.618 18.992 ( -7.412 4.779 -8.881) 12.516 19.050 ( -2.562 1.433 4.403) 5.292 19.202 ( -2.438 -2.689 0.961) 3.755 19.231 ( -3.583 -3.417 0.021) 4.951 19.416 ( 0.608 6.567 -3.788) 7.606 19.837 ( 2.745 -4.633 0.917) 5.463 19.935 ( 2.688 -0.539 -0.250) 2.752 20.064 ( -1.408 -6.187 -0.755) 6.390 20.170 ( 5.335 -3.155 4.825) 7.854 20.284 ( 2.915 -2.325 2.828) 4.680 20.365 ( 6.769 -4.960 2.302) 8.702 20.644 ( 0.160 8.349 -1.874) 8.559 20.766 ( 5.671 5.946 5.435) 9.852 21.269 ( 2.742 -2.772 -1.212) 4.083 21.369 ( 0.720 -7.001 -1.188) 7.137 21.615 ( 0.325 3.779 0.026) 3.793 21.753 ( 4.000 0.863 -1.954) 4.535 21.846 ( 9.258 4.148 8.892) 13.490 21.986 ( 9.889 1.621 -3.653) 10.667 23.081 ( -3.720 0.573 -0.954) 3.883 23.159 ( -2.029 -1.498 -0.883) 2.672 23.191 ( -1.757 0.016 1.281) 2.175 23.202 ( -1.015 -0.164 0.192) 1.046 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -8.612 11.209 15.214) 20.767 1.413 ( -15.061 16.964 16.584) 28.101 1.608 ( -1.295 1.786 -11.444) 11.655 1.946 ( -7.246 2.503 -9.173) 11.955 2.002 ( -6.262 6.034 -0.734) 8.727 2.101 ( -8.824 -1.538 0.016) 8.957 2.423 ( -8.914 8.726 16.446) 20.642 2.455 ( -2.155 5.827 8.422) 10.466 2.520 ( 0.213 -0.200 2.125) 2.145 2.609 ( 1.641 -4.670 -2.773) 5.674 2.681 ( -6.889 -12.740 1.870) 14.604 2.805 ( 1.549 -2.203 0.779) 2.803 2.914 ( -2.277 -2.207 -4.460) 5.472 3.048 ( -1.886 3.703 -3.046) 5.152 3.076 ( -5.945 -2.153 0.155) 6.324 3.209 ( -3.374 -2.335 3.251) 5.235 3.242 ( 1.093 0.064 0.886) 1.408 3.396 ( -2.555 -2.612 -1.129) 3.824 3.462 ( 7.360 6.411 0.522) 9.774 3.507 ( -0.558 2.096 -2.402) 3.236 3.548 ( 0.782 4.510 -5.582) 7.218 3.632 ( 6.506 -0.639 -0.572) 6.563 3.698 ( 4.005 -1.130 -0.199) 4.167 3.743 ( -3.630 2.491 -3.762) 5.791 3.796 ( -4.737 -0.688 -1.308) 4.962 3.834 ( 0.033 2.255 -1.396) 2.652 3.868 ( -3.026 2.272 -0.489) 3.816 3.947 ( -4.611 6.702 2.320) 8.460 3.982 ( -3.471 5.305 0.196) 6.343 4.063 ( -2.756 2.246 -0.816) 3.648 4.138 ( -5.296 -0.837 -0.414) 5.378 4.197 ( -4.631 0.823 -4.362) 6.414 4.273 ( -0.537 -3.512 -1.267) 3.771 4.316 ( -1.544 -2.783 -1.738) 3.626 4.349 ( -0.379 1.429 0.960) 1.763 4.414 ( 4.206 0.945 2.202) 4.840 4.436 ( -7.830 -3.092 -1.031) 8.482 4.530 ( -3.324 1.678 3.940) 5.422 4.599 ( -1.881 2.777 0.256) 3.364 4.628 ( 3.100 6.235 -0.901) 7.021 4.758 ( 0.557 -5.986 -5.110) 7.890 4.794 ( -0.872 2.745 -1.549) 3.270 4.886 ( 1.971 1.729 -0.415) 2.655 4.926 ( -3.289 -1.089 -0.069) 3.466 5.032 ( 2.385 -0.111 4.108) 4.751 5.118 ( 6.004 -3.312 -0.054) 6.857 5.168 ( -0.973 3.150 4.375) 5.478 5.348 ( -4.092 5.765 2.616) 7.538 5.433 ( -5.713 -9.948 3.992) 12.146 5.483 ( 3.344 -4.905 -0.819) 5.992 5.582 ( -4.582 0.643 4.479) 6.439 5.678 ( -3.373 -6.981 -0.735) 7.788 5.808 ( -1.038 -2.336 1.401) 2.915 5.885 ( -1.898 1.045 -8.498) 8.770 6.009 ( 0.034 -0.589 -8.175) 8.196 6.076 ( 5.491 1.102 -0.710) 5.645 6.154 ( -1.526 -14.209 -8.960) 16.867 6.167 ( 1.469 -13.652 3.732) 14.229 6.287 ( -2.763 -6.547 1.329) 7.229 6.390 ( -0.423 -0.101 5.666) 5.682 6.538 ( -3.078 -2.778 -2.391) 4.786 6.625 ( -3.896 -7.357 -4.973) 9.697 6.663 ( 0.509 -1.448 3.062) 3.425 6.719 ( 4.158 0.146 -2.158) 4.687 6.871 ( 5.148 5.556 -0.356) 7.583 6.942 ( 5.228 0.568 2.793) 5.955 6.963 ( -1.183 -2.083 -1.530) 2.843 7.057 ( 6.165 10.488 1.325) 12.237 7.097 ( 0.714 0.834 0.234) 1.123 7.155 ( -0.360 -1.969 -1.254) 2.362 7.196 ( 2.608 -1.463 0.213) 2.998 7.274 ( 3.931 0.402 -0.140) 3.954 7.369 ( 0.115 6.026 -0.984) 6.107 7.465 ( 0.442 -2.297 -0.521) 2.396 7.597 ( 2.865 -0.022 6.237) 6.863 7.636 ( 2.889 3.278 -5.700) 7.182 7.715 ( 2.137 7.748 0.288) 8.043 7.899 ( 2.892 0.531 -0.167) 2.945 7.932 ( 0.828 8.398 6.297) 10.529 7.981 ( -0.441 3.767 5.455) 6.644 8.080 ( 7.285 5.154 8.595) 12.390 8.274 ( -0.473 3.962 3.508) 5.313 8.404 ( -4.876 -4.045 4.592) 7.825 8.444 ( 3.191 -3.581 -2.152) 5.257 8.569 ( 7.755 -0.196 0.515) 7.775 8.692 ( -1.071 0.338 -4.127) 4.277 8.809 ( -3.717 2.635 -1.608) 4.832 8.871 ( 2.650 2.699 -3.819) 5.375 8.919 ( 4.633 -0.109 -4.019) 6.134 8.989 ( -0.784 2.145 -6.656) 7.037 9.114 ( -0.548 -5.804 2.701) 6.425 9.149 ( 3.597 -2.861 -2.695) 5.328 9.277 ( -0.839 1.062 3.657) 3.899 9.283 ( 4.186 1.847 0.465) 4.599 9.413 ( -5.084 1.191 0.412) 5.238 9.458 ( -1.886 0.620 -3.017) 3.612 9.557 ( 0.549 0.338 5.256) 5.295 9.666 ( 1.319 0.083 1.768) 2.207 9.685 ( -0.995 -0.439 -4.888) 5.008 9.734 ( 1.894 3.188 -2.503) 4.474 9.811 ( 4.125 -0.262 1.967) 4.578 9.888 ( 2.301 -0.560 4.263) 4.877 9.948 ( 4.774 2.318 -0.026) 5.307 10.027 ( -0.048 -0.366 3.631) 3.650 10.199 ( -0.401 3.795 -3.845) 5.417 10.277 ( -5.279 2.715 -6.957) 9.146 10.398 ( 0.007 0.175 -0.968) 0.984 10.418 ( 2.750 -0.063 -2.324) 3.601 10.488 ( 1.328 -3.351 -1.939) 4.093 10.587 ( -1.739 -1.622 -0.014) 2.379 10.641 ( -1.919 -4.342 0.903) 4.832 10.693 ( -1.114 -2.072 -1.096) 2.595 10.780 ( -2.769 0.925 3.851) 4.832 10.817 ( -3.650 0.377 -0.977) 3.797 10.953 ( -0.836 -2.229 2.049) 3.141 10.976 ( -2.798 -1.548 -1.964) 3.752 10.982 ( -3.753 0.043 -3.183) 4.922 11.105 ( 0.046 -3.446 4.196) 5.430 11.143 ( -4.312 0.322 -5.303) 6.843 11.259 ( -4.417 -2.861 -1.255) 5.410 11.382 ( -0.062 -4.198 -3.240) 5.304 11.468 ( -1.337 -3.802 0.493) 4.060 11.537 ( 1.480 -0.123 1.152) 1.879 11.587 ( 1.907 0.042 -1.253) 2.282 11.663 ( -1.279 4.071 0.452) 4.291 11.718 ( 1.929 4.244 2.459) 5.271 11.832 ( -3.999 -2.157 -2.282) 5.085 11.866 ( 3.053 2.135 -0.352) 3.742 11.995 ( -1.980 4.533 2.713) 5.641 12.119 ( -9.672 0.973 0.167) 9.722 12.331 ( 0.618 1.003 2.198) 2.494 12.449 ( -2.766 2.445 0.328) 3.707 12.743 ( -1.053 -0.651 0.883) 1.521 12.787 ( -3.307 -5.534 0.698) 6.485 12.984 ( -0.995 -6.841 5.220) 8.662 13.241 ( 2.044 -5.071 -8.127) 9.795 13.382 ( 7.596 2.800 -8.431) 11.688 13.621 ( -0.861 1.119 -0.429) 1.476 13.895 ( -4.267 5.565 4.849) 8.526 14.008 ( 0.215 4.615 -8.980) 10.098 14.396 ( 4.765 -6.730 2.818) 8.714 14.459 ( 5.425 -9.521 3.574) 11.526 14.638 ( -1.319 3.238 -0.891) 3.608 14.792 ( -2.309 2.909 0.529) 3.752 15.220 ( -2.802 0.290 11.060) 11.413 15.291 ( -4.263 0.882 1.736) 4.686 15.345 ( -3.448 -0.955 3.685) 5.136 15.427 ( 3.599 -1.290 -8.665) 9.471 15.693 ( 0.559 4.364 8.535) 9.602 15.907 ( 6.030 -4.903 2.926) 8.304 15.965 ( 0.295 3.919 -4.761) 6.174 16.122 ( 4.561 0.483 -1.819) 4.934 17.663 ( -5.575 -2.630 -1.293) 6.298 17.792 ( -2.481 -0.639 -0.631) 2.638 17.823 ( -3.848 0.748 -1.827) 4.325 17.930 ( -6.758 1.866 -1.361) 7.142 18.568 ( -7.056 8.185 1.336) 10.889 18.796 ( -5.772 7.028 -10.893) 14.191 19.051 ( -0.108 0.536 2.298) 2.362 19.104 ( -5.442 1.071 3.895) 6.778 19.160 ( -3.998 -3.369 0.649) 5.268 19.342 ( -3.328 10.010 -6.450) 12.364 19.915 ( 2.790 -7.442 1.018) 8.013 19.992 ( -1.348 -7.970 -0.061) 8.083 20.033 ( 4.268 1.853 -0.810) 4.723 20.194 ( -3.068 -3.182 1.304) 4.608 20.442 ( 4.724 0.924 0.771) 4.875 20.502 ( 5.044 -2.213 1.510) 5.712 20.760 ( 14.256 2.385 5.488) 15.461 20.980 ( 11.378 -0.422 5.138) 12.492 21.315 ( -4.829 -8.314 -2.312) 9.888 21.327 ( 1.809 -5.525 1.615) 6.034 21.621 ( 0.555 6.000 -1.614) 6.238 21.775 ( -0.339 0.769 -3.685) 3.779 22.075 ( 7.089 4.016 6.675) 10.533 22.162 ( 9.787 4.661 -3.358) 11.349 23.026 ( -1.374 0.832 0.772) 1.783 23.121 ( -1.549 -1.832 0.226) 2.410 23.145 ( -2.639 0.261 -0.838) 2.781 23.173 ( -1.804 -0.417 -0.600) 1.946 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 1.028 11.247 7.394) 13.499 1.519 ( 0.810 -1.724 -7.409) 7.650 1.617 ( -2.366 13.621 12.646) 18.737 1.805 ( 1.564 -2.743 -5.662) 6.483 1.912 ( 0.156 -3.049 2.525) 3.961 1.981 ( 0.025 -7.253 -4.733) 8.661 2.401 ( -1.293 -2.746 -0.323) 3.052 2.459 ( 4.690 -6.020 -2.968) 8.188 2.531 ( 2.338 -0.561 4.706) 5.284 2.562 ( 2.789 -3.736 3.575) 5.875 2.674 ( -1.198 4.218 -4.142) 6.032 2.755 ( -5.835 -5.362 -7.493) 10.906 2.940 ( -2.426 12.646 9.500) 16.002 3.044 ( 1.466 4.225 -2.296) 5.027 3.187 ( 1.454 4.372 3.198) 5.609 3.216 ( -0.547 3.803 0.801) 3.925 3.334 ( 2.658 8.456 4.374) 9.884 3.406 ( -1.246 -4.637 -2.044) 5.219 3.490 ( 0.190 9.506 7.235) 11.948 3.603 ( -2.721 3.230 -4.331) 6.050 3.653 ( -0.549 2.313 -0.585) 2.448 3.672 ( -1.424 0.563 -2.253) 2.725 3.768 ( -1.481 0.808 0.671) 1.816 3.782 ( 1.762 2.494 0.648) 3.122 3.814 ( 6.971 -2.533 2.209) 7.739 3.831 ( -4.923 -2.188 2.109) 5.785 3.868 ( 2.568 6.483 1.408) 7.114 3.895 ( 0.041 3.079 -0.592) 3.136 3.938 ( -4.713 1.365 0.987) 5.005 4.047 ( -4.452 4.790 0.469) 6.556 4.132 ( -1.503 2.551 0.516) 3.005 4.219 ( -1.210 -8.316 1.660) 8.566 4.275 ( 3.060 4.323 -6.508) 8.391 4.306 ( 7.129 -0.460 -5.907) 9.270 4.351 ( 1.579 0.355 3.978) 4.295 4.399 ( -2.024 1.266 0.943) 2.567 4.461 ( -3.405 0.851 1.080) 3.672 4.510 ( 3.514 -3.659 -2.727) 5.759 4.513 ( 3.111 -9.418 6.261) 11.730 4.557 ( 2.808 -5.856 -0.216) 6.498 4.595 ( -5.055 -2.340 -3.427) 6.540 4.688 ( 1.096 -3.087 -4.033) 5.196 4.949 ( 0.643 2.656 0.024) 2.733 5.009 ( 0.115 5.652 -1.133) 5.766 5.092 ( 0.158 2.838 -1.380) 3.160 5.162 ( 0.509 -1.500 -5.197) 5.433 5.226 ( 2.526 -4.623 2.548) 5.852 5.308 ( 0.144 -7.158 -3.360) 7.909 5.336 ( -3.168 -2.120 4.912) 6.217 5.360 ( -0.228 -2.817 4.832) 5.598 5.487 ( -4.102 -0.729 -0.368) 4.183 5.522 ( 1.409 -4.078 3.000) 5.255 5.730 ( -1.333 1.412 2.037) 2.815 5.770 ( -4.076 2.269 1.758) 4.985 5.905 ( 4.280 0.565 -6.330) 7.662 5.939 ( -0.187 -5.707 2.468) 6.220 5.960 ( -2.370 -4.143 -1.406) 4.976 6.064 ( 5.054 -12.278 -7.066) 15.041 6.322 ( -5.654 0.022 1.007) 5.743 6.350 ( -2.015 -0.438 -3.299) 3.890 6.399 ( 4.512 -1.865 -5.544) 7.387 6.444 ( 3.760 -4.495 -3.939) 7.061 6.605 ( -3.372 1.020 1.575) 3.859 6.643 ( -3.506 -3.443 -2.981) 5.747 6.959 ( 1.967 2.567 0.841) 3.342 6.972 ( -0.252 1.766 0.459) 1.842 7.055 ( -1.767 0.288 -1.093) 2.098 7.057 ( 0.325 0.234 -0.920) 1.004 7.186 ( 0.701 4.193 5.535) 6.979 7.257 ( 1.592 4.922 -1.851) 5.494 7.286 ( -0.562 -3.987 4.355) 5.931 7.343 ( 1.436 -1.109 -1.513) 2.362 7.399 ( -0.353 0.936 1.252) 1.603 7.426 ( -1.911 0.450 -1.442) 2.436 7.773 ( 2.187 3.164 4.502) 5.921 7.801 ( -2.565 1.330 1.235) 3.143 7.862 ( 4.578 8.083 3.745) 10.016 7.922 ( -3.616 7.725 0.656) 8.555 8.031 ( 3.236 -6.529 7.048) 10.137 8.063 ( -2.174 -3.944 4.068) 6.069 8.200 ( -1.632 9.393 3.070) 10.015 8.298 ( -2.804 -1.037 -2.350) 3.803 8.463 ( 3.166 3.873 4.554) 6.765 8.547 ( 4.360 -2.346 4.342) 6.585 8.607 ( -2.323 2.600 -4.383) 5.600 8.667 ( 1.298 -3.292 -5.872) 6.856 8.768 ( -2.960 0.215 -1.104) 3.167 8.811 ( -1.304 -2.584 -6.276) 6.911 8.968 ( 0.233 5.806 1.487) 5.998 9.008 ( -2.854 4.241 -1.836) 5.432 9.077 ( 6.997 -5.428 1.596) 8.998 9.115 ( -5.337 -5.756 -2.273) 8.172 9.355 ( 0.010 3.037 0.552) 3.087 9.368 ( -0.502 2.610 -0.201) 2.666 9.416 ( 2.122 2.699 1.602) 3.789 9.439 ( 0.356 -0.039 -0.550) 0.657 9.584 ( -0.320 1.768 2.498) 3.077 9.629 ( 0.614 -2.138 -1.186) 2.521 9.700 ( 1.850 0.882 -0.360) 2.081 9.711 ( 0.183 0.462 -0.563) 0.751 9.913 ( 1.697 1.054 0.228) 2.011 9.938 ( -1.431 -0.564 -1.947) 2.481 9.992 ( 1.683 -0.706 3.966) 4.366 10.031 ( 2.455 -3.409 0.170) 4.205 10.250 ( -4.044 3.449 2.839) 6.026 10.300 ( -2.429 2.344 -3.548) 4.897 10.343 ( -4.248 -2.049 1.745) 5.029 10.372 ( -0.814 -1.671 -1.950) 2.693 10.482 ( -5.213 -1.791 -0.653) 5.551 10.504 ( 7.707 -0.587 -2.792) 8.218 10.534 ( 0.665 0.867 -1.248) 1.659 10.570 ( 0.275 -3.201 -3.754) 4.941 10.768 ( -2.633 1.482 3.701) 4.778 10.829 ( 1.535 0.541 -1.156) 1.996 10.831 ( 1.212 -1.397 1.526) 2.397 10.879 ( 0.476 -2.554 -2.313) 3.478 11.044 ( 0.877 3.423 2.645) 4.414 11.085 ( -2.698 -0.401 -1.206) 2.982 11.175 ( 1.078 1.803 -0.049) 2.101 11.196 ( 1.635 2.492 -1.994) 3.586 11.278 ( 3.057 -7.323 -0.035) 7.935 11.297 ( -2.873 -6.537 -2.119) 7.448 11.577 ( 0.274 0.769 0.732) 1.097 11.605 ( 0.812 -2.049 -1.837) 2.869 11.724 ( -1.003 3.587 3.963) 5.438 11.764 ( -0.274 -0.536 1.743) 1.844 11.839 ( 1.311 1.460 -1.674) 2.579 11.868 ( -2.236 -1.884 -3.248) 4.370 12.090 ( -0.021 7.558 1.804) 7.770 12.101 ( 0.910 7.024 0.420) 7.096 12.362 ( -1.214 -1.087 3.941) 4.264 12.419 ( 0.469 -5.757 -1.595) 5.993 12.581 ( 0.116 -1.541 4.175) 4.452 12.663 ( 0.720 -7.742 -4.190) 8.833 13.017 ( -0.115 4.795 1.600) 5.056 13.104 ( 0.357 -4.314 -6.892) 8.139 13.552 ( 1.646 2.631 -1.168) 3.316 13.573 ( -0.736 1.090 -3.194) 3.454 13.965 ( -1.773 4.305 4.467) 6.452 14.039 ( 0.283 -2.300 -3.480) 4.181 14.471 ( 4.820 1.194 1.754) 5.267 14.482 ( 0.199 0.009 1.018) 1.037 14.623 ( 1.720 -1.694 0.867) 2.565 14.641 ( -6.758 -3.547 -0.738) 7.668 15.269 ( -2.198 2.395 7.876) 8.521 15.291 ( -0.440 0.932 3.167) 3.331 15.334 ( 0.818 2.126 -0.171) 2.284 15.402 ( 2.439 -3.972 -3.448) 5.798 15.850 ( 1.217 4.473 6.702) 8.149 15.933 ( 2.792 -4.490 3.057) 6.107 15.996 ( -1.553 2.966 -3.752) 5.029 16.045 ( -3.460 -2.543 -4.110) 5.944 17.710 ( 2.926 4.064 1.400) 5.200 17.746 ( -1.197 2.516 -2.320) 3.625 17.787 ( -0.675 -2.767 0.679) 2.928 17.803 ( 0.986 -2.425 -1.029) 2.813 18.705 ( -0.046 8.106 1.578) 8.258 18.765 ( -1.574 2.220 -4.610) 5.353 19.007 ( -0.055 -1.085 1.731) 2.044 19.032 ( -0.456 -3.381 -0.922) 3.533 19.299 ( 1.407 12.039 9.055) 15.130 19.446 ( -0.395 6.042 -3.589) 7.038 19.700 ( -1.530 -7.375 1.999) 7.793 19.831 ( -0.549 -11.974 -8.791) 14.865 20.141 ( -0.522 1.740 1.638) 2.446 20.155 ( 2.736 0.502 0.312) 2.799 20.503 ( 0.289 0.609 0.323) 0.748 20.517 ( -0.041 -0.813 -0.982) 1.276 20.961 ( 1.480 -2.540 1.343) 3.232 20.990 ( -3.114 -5.238 -1.598) 6.300 21.212 ( 3.663 0.171 1.876) 4.119 21.240 ( -0.026 -2.719 -0.935) 2.875 21.707 ( -0.621 2.362 -0.205) 2.451 21.725 ( -2.552 0.375 -2.105) 3.329 22.260 ( 0.170 4.140 1.827) 4.528 22.308 ( 1.671 -0.437 -3.283) 3.710 23.061 ( 1.690 0.975 1.762) 2.629 23.080 ( 0.244 -0.880 0.716) 1.161 23.107 ( -0.855 0.522 -0.785) 1.273 23.123 ( -1.127 -0.934 -1.428) 2.045 ======================= Grid point 85 (49/54) ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 4.679 10.613 -2.632) 11.894 1.520 ( 6.870 6.795 0.406) 9.671 1.774 ( 5.477 1.188 3.918) 6.838 1.898 ( 6.863 -9.420 0.336) 11.660 2.046 ( 11.727 2.344 3.204) 12.381 2.083 ( 16.649 3.858 -5.853) 18.065 2.374 ( -1.403 -2.681 -0.425) 3.055 2.497 ( 1.707 -12.047 -7.609) 14.351 2.553 ( -0.866 1.054 -2.585) 2.922 2.566 ( -0.501 -1.297 -3.410) 3.683 2.622 ( -0.615 5.844 4.333) 7.302 2.778 ( 4.909 -10.002 5.450) 12.403 2.959 ( -0.185 12.059 2.529) 12.323 3.089 ( 3.183 3.912 0.001) 5.044 3.161 ( -3.719 3.612 0.454) 5.204 3.237 ( -3.606 0.288 1.764) 4.024 3.298 ( -6.533 0.263 -2.230) 6.908 3.374 ( -7.873 -8.000 -1.095) 11.278 3.500 ( 3.331 5.363 4.813) 7.939 3.517 ( -1.536 3.645 -1.170) 4.125 3.599 ( -4.777 4.538 1.464) 6.749 3.644 ( -5.184 1.815 1.929) 5.822 3.687 ( -4.455 2.441 -2.038) 5.474 3.752 ( -0.343 1.613 -1.971) 2.570 3.843 ( 4.919 2.783 -1.488) 5.845 3.871 ( 5.962 0.963 1.394) 6.198 3.904 ( 6.284 2.610 2.266) 7.172 3.970 ( 1.021 -0.397 2.867) 3.069 4.051 ( 3.990 0.827 3.853) 5.608 4.103 ( 4.472 4.596 4.119) 7.621 4.189 ( 8.058 2.902 1.307) 8.663 4.214 ( 0.537 -5.278 -2.401) 5.823 4.265 ( -2.245 5.123 -0.046) 5.593 4.333 ( 3.798 -0.525 -1.390) 4.078 4.381 ( 2.519 0.838 1.081) 2.866 4.411 ( 8.597 3.175 -11.787) 14.930 4.439 ( -1.387 -1.467 -0.813) 2.176 4.515 ( 4.997 7.102 2.942) 9.169 4.594 ( 3.970 -4.372 0.387) 5.918 4.667 ( 7.332 0.588 -3.298) 8.061 4.696 ( 3.950 -5.844 -0.729) 7.092 4.802 ( 9.229 -5.980 -4.904) 12.041 4.930 ( -0.526 0.524 4.777) 4.834 4.949 ( -1.316 -1.018 -4.705) 4.990 5.038 ( -3.517 4.522 -1.360) 5.888 5.137 ( -3.384 -2.472 4.988) 6.515 5.213 ( 1.728 0.205 -5.893) 6.144 5.271 ( -0.974 -6.319 0.162) 6.395 5.341 ( 0.126 -4.283 5.227) 6.759 5.402 ( -1.827 -2.894 -1.961) 3.944 5.524 ( 5.859 -3.361 3.814) 7.757 5.567 ( 0.360 -4.126 3.055) 5.147 5.736 ( -0.785 2.080 -0.677) 2.324 5.760 ( 1.658 -1.271 4.881) 5.309 5.932 ( 1.032 4.516 -4.194) 6.249 5.999 ( 4.614 -2.819 0.295) 5.415 6.014 ( 5.687 -1.349 0.036) 5.845 6.109 ( 5.928 -10.058 -6.193) 13.216 6.222 ( 0.624 -1.525 2.070) 2.645 6.235 ( -5.233 -4.267 3.057) 7.412 6.496 ( 3.772 -1.244 -5.145) 6.500 6.513 ( 3.231 -3.128 -6.724) 8.089 6.605 ( -1.037 0.408 7.505) 7.587 6.640 ( 1.960 -2.090 6.802) 7.381 6.876 ( -4.536 3.749 0.450) 5.902 6.932 ( -3.237 -1.969 -2.333) 4.449 7.027 ( -4.505 2.728 0.797) 5.327 7.059 ( -4.022 -0.532 2.645) 4.843 7.152 ( 0.619 1.808 -0.734) 2.047 7.190 ( -4.631 -1.921 -3.395) 6.054 7.305 ( -2.184 3.393 -1.147) 4.195 7.326 ( -4.041 4.868 -0.112) 6.328 7.378 ( -2.661 -2.458 2.863) 4.617 7.394 ( -2.388 -2.843 -0.809) 3.800 7.721 ( -5.341 5.226 0.832) 7.518 7.780 ( -5.376 -1.193 -2.969) 6.257 7.839 ( -2.086 8.398 2.253) 8.942 7.905 ( -2.544 4.414 -1.367) 5.275 8.084 ( 2.156 -3.344 6.397) 7.534 8.114 ( -1.845 -0.326 1.605) 2.467 8.120 ( -6.024 6.507 0.876) 8.911 8.229 ( -3.310 -2.017 4.080) 5.627 8.468 ( -7.389 1.986 -0.436) 7.664 8.509 ( -5.427 -2.793 -5.416) 8.160 8.547 ( -4.423 4.101 -1.131) 6.136 8.624 ( 1.303 -1.911 -0.332) 2.337 8.790 ( 2.568 0.325 0.928) 2.750 8.820 ( 1.532 -1.737 0.148) 2.321 8.861 ( -0.157 2.749 1.845) 3.315 8.944 ( -5.357 -4.912 -0.692) 7.301 9.085 ( 2.335 2.642 1.119) 3.700 9.139 ( -0.064 -2.160 -1.713) 2.758 9.312 ( -3.131 2.475 -0.369) 4.009 9.343 ( -4.199 -0.174 -1.193) 4.369 9.437 ( 0.166 2.202 1.228) 2.527 9.462 ( 2.537 -0.147 0.170) 2.547 9.624 ( 2.034 1.258 0.097) 2.393 9.635 ( 0.408 -0.208 -1.212) 1.295 9.719 ( -1.674 3.637 -1.532) 4.287 9.760 ( 2.030 1.756 1.262) 2.966 9.859 ( -3.379 -0.348 -4.511) 5.647 9.931 ( -1.245 -4.649 -2.143) 5.268 10.027 ( 2.204 3.452 -2.749) 4.932 10.058 ( 6.263 -0.145 1.470) 6.435 10.229 ( -4.928 -0.331 4.158) 6.457 10.240 ( -5.661 -1.237 1.605) 6.012 10.299 ( 0.168 4.431 0.928) 4.530 10.352 ( 3.212 2.185 1.321) 4.103 10.417 ( 0.302 -6.302 0.408) 6.322 10.474 ( -0.718 -5.511 0.834) 5.620 10.640 ( 3.775 0.981 0.106) 3.902 10.662 ( 3.850 -0.940 -2.290) 4.577 10.805 ( 3.691 2.434 3.066) 5.381 10.844 ( 0.198 -0.338 -0.424) 0.577 10.885 ( 3.873 -0.745 -1.249) 4.137 10.925 ( 4.181 -3.736 -0.293) 5.615 11.045 ( 0.473 4.028 0.559) 4.094 11.099 ( 2.682 -0.737 1.782) 3.303 11.176 ( -1.145 1.048 -3.044) 3.417 11.189 ( 0.503 0.660 -2.516) 2.649 11.246 ( 0.619 -2.145 1.039) 2.463 11.349 ( 3.008 -9.356 -1.437) 9.932 11.559 ( -1.160 0.702 -0.621) 1.491 11.577 ( -1.957 -0.880 -1.632) 2.696 11.734 ( -0.834 4.317 3.081) 5.369 11.789 ( 1.213 -1.636 1.762) 2.693 11.802 ( -1.944 1.843 -1.537) 3.088 11.852 ( -0.360 -2.549 0.591) 2.641 12.146 ( 4.988 7.946 -1.258) 9.466 12.176 ( 4.881 6.101 0.981) 7.875 12.369 ( 1.024 -0.697 1.950) 2.310 12.471 ( 3.807 -7.634 0.547) 8.548 12.623 ( 2.070 -0.938 1.871) 2.944 12.681 ( 3.278 -5.257 -3.120) 6.937 13.024 ( -0.815 1.848 3.706) 4.221 13.073 ( 1.298 -3.618 -6.903) 7.901 13.457 ( -6.254 7.165 -2.048) 9.729 13.588 ( 0.234 -4.747 -1.376) 4.948 13.965 ( -1.694 5.593 5.069) 7.736 14.040 ( 1.502 -1.074 -1.816) 2.590 14.346 ( -7.223 -1.760 -1.763) 7.641 14.387 ( -9.699 -5.311 -3.004) 11.459 14.663 ( 3.647 4.196 2.893) 6.267 14.744 ( 4.305 -3.442 2.970) 6.262 15.275 ( -1.929 3.600 6.980) 8.087 15.321 ( 1.639 0.057 1.629) 2.312 15.376 ( 4.270 1.484 -2.486) 5.159 15.428 ( 2.703 -3.764 -4.681) 6.587 15.860 ( -3.987 2.846 1.426) 5.102 15.895 ( -2.447 0.122 -6.273) 6.734 15.976 ( -0.819 1.738 1.293) 2.316 16.013 ( -0.106 -2.308 5.488) 5.955 17.691 ( 1.135 2.896 -1.192) 3.332 17.750 ( 1.031 -2.923 -0.588) 3.155 17.870 ( 7.995 3.915 -0.940) 8.952 17.934 ( 7.993 -2.376 -1.076) 8.407 18.750 ( 2.222 5.321 -1.474) 5.952 18.765 ( 4.039 4.581 3.550) 7.064 19.037 ( 2.359 -0.808 0.291) 2.510 19.064 ( 3.907 -2.902 0.603) 4.904 19.353 ( -0.635 10.954 0.613) 10.989 19.449 ( 3.586 8.958 -0.935) 9.694 19.688 ( -3.382 -10.014 4.518) 11.495 19.788 ( 0.963 -13.652 -2.648) 13.939 20.103 ( -2.961 4.218 -1.188) 5.289 20.175 ( -0.353 -3.239 -2.237) 3.952 20.475 ( -3.068 0.591 -0.998) 3.280 20.489 ( -2.354 -0.802 -0.601) 2.559 20.840 ( -7.562 3.895 0.691) 8.534 20.961 ( -3.556 -8.153 0.747) 8.926 21.203 ( -1.812 1.150 -2.272) 3.125 21.262 ( 0.545 -4.802 -1.711) 5.127 21.673 ( -2.263 3.098 2.128) 4.387 21.707 ( -0.923 -0.624 3.183) 3.372 22.190 ( -7.681 3.819 0.296) 8.583 22.229 ( -7.039 0.031 -3.682) 7.944 23.070 ( 0.460 1.366 -1.534) 2.105 23.100 ( 0.773 -1.702 -1.176) 2.208 23.131 ( 3.046 0.662 1.453) 3.439 23.145 ( 2.876 -0.735 1.271) 3.229 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 9.161 10.978 -2.070) 14.447 1.738 ( 11.029 -1.618 -0.815) 11.177 1.878 ( 7.066 4.991 3.884) 9.483 2.049 ( 6.998 -6.817 1.679) 9.912 2.299 ( 6.829 8.282 -2.837) 11.103 2.332 ( 8.135 3.535 -5.742) 10.567 2.401 ( 6.697 -2.057 -1.366) 7.138 2.456 ( 3.464 -2.307 2.857) 5.049 2.556 ( 0.909 1.018 -0.325) 1.403 2.657 ( 5.534 -8.069 -2.348) 10.062 2.703 ( 7.409 2.336 4.357) 8.906 2.830 ( -0.435 -5.770 0.526) 5.810 3.006 ( 3.552 3.491 2.112) 5.410 3.031 ( -7.869 6.087 7.593) 12.514 3.086 ( -10.169 1.195 3.163) 10.717 3.159 ( -3.402 -3.079 5.567) 7.215 3.176 ( -8.887 -3.498 1.320) 9.641 3.191 ( 0.164 -3.169 -1.466) 3.495 3.336 ( -13.123 -0.367 -1.218) 13.185 3.382 ( -11.149 -4.076 2.275) 12.086 3.633 ( -0.153 3.027 -1.996) 3.629 3.653 ( 4.781 1.446 0.047) 4.995 3.724 ( 4.145 3.254 -6.571) 8.423 3.754 ( 4.228 1.139 -0.375) 4.395 3.929 ( -1.157 0.955 -4.351) 4.602 3.958 ( 4.947 0.448 -1.650) 5.234 4.028 ( 4.299 -0.851 -1.987) 4.812 4.082 ( 5.171 -3.241 1.011) 6.186 4.132 ( 3.468 3.487 0.889) 4.998 4.164 ( 2.944 2.287 1.651) 4.078 4.233 ( 2.897 6.855 1.242) 7.546 4.256 ( 7.022 -2.944 -2.558) 8.033 4.372 ( -0.919 -2.638 -1.701) 3.271 4.377 ( 4.375 1.119 0.200) 4.521 4.480 ( 7.609 4.031 1.447) 8.731 4.496 ( 5.847 2.257 -4.267) 7.582 4.529 ( 5.493 0.516 -4.292) 6.990 4.609 ( 2.600 -0.482 -2.250) 3.472 4.648 ( -2.289 1.311 -4.520) 5.234 4.704 ( 8.768 7.691 1.944) 11.824 4.795 ( 5.490 -2.549 1.492) 6.234 4.853 ( 3.839 -3.046 -9.573) 10.755 4.951 ( -1.754 5.893 0.118) 6.149 5.026 ( 9.300 3.319 2.655) 10.225 5.051 ( 3.776 -0.611 -3.896) 5.460 5.146 ( -2.012 0.854 2.078) 3.016 5.225 ( 6.093 -0.385 1.517) 6.291 5.302 ( -0.153 -4.062 1.718) 4.413 5.344 ( 2.823 0.325 9.047) 9.483 5.441 ( -0.075 -3.522 5.971) 6.933 5.570 ( -0.731 1.780 3.888) 4.339 5.659 ( 11.193 -5.464 1.632) 12.562 5.762 ( 4.182 -5.930 -0.484) 7.272 5.814 ( 1.499 -4.800 -0.826) 5.096 5.914 ( -2.260 4.737 4.903) 7.182 6.049 ( -2.333 -7.092 -1.561) 7.627 6.126 ( 6.363 5.018 1.266) 8.202 6.204 ( 0.896 0.329 2.807) 2.964 6.262 ( 5.147 0.525 -1.101) 5.289 6.328 ( 4.611 -1.725 2.032) 5.326 6.469 ( -1.005 0.029 -1.820) 2.079 6.523 ( 2.563 -4.660 -2.281) 5.787 6.614 ( 0.706 1.164 3.776) 4.014 6.674 ( -3.700 -2.414 4.984) 6.660 6.847 ( -1.717 -0.058 2.027) 2.657 6.875 ( -3.334 -2.430 -1.382) 4.351 6.929 ( -1.313 2.363 -3.711) 4.591 6.979 ( -3.518 -2.500 1.360) 4.525 7.061 ( -6.035 0.914 -5.377) 8.134 7.081 ( -5.120 -1.189 -7.385) 9.065 7.229 ( -7.165 5.819 -3.039) 9.718 7.243 ( -2.709 -0.937 3.416) 4.459 7.268 ( -6.718 -2.958 -0.511) 7.358 7.320 ( -5.595 -3.595 1.588) 6.837 7.622 ( -2.890 3.116 0.605) 4.293 7.658 ( -4.116 -0.635 -2.255) 4.736 7.763 ( -5.415 6.114 -2.986) 8.696 7.800 ( -9.002 2.775 -4.870) 10.605 7.935 ( -13.352 3.338 -0.141) 13.764 7.983 ( -7.637 -1.396 6.280) 9.986 8.128 ( -5.267 1.608 2.027) 5.869 8.188 ( -7.943 -3.576 3.125) 9.254 8.309 ( -2.918 3.943 3.112) 5.809 8.379 ( -2.085 -3.217 1.915) 4.285 8.564 ( 4.578 4.129 -2.999) 6.856 8.674 ( 3.614 -3.921 0.370) 5.345 8.757 ( -2.203 0.119 3.326) 3.991 8.828 ( -2.183 -3.561 3.101) 5.202 8.938 ( 2.906 3.574 1.419) 4.820 8.968 ( 2.913 0.436 2.129) 3.634 9.099 ( 0.525 1.419 -3.261) 3.595 9.131 ( -0.765 -1.463 -3.661) 4.016 9.268 ( 1.669 1.519 -0.857) 2.414 9.298 ( 2.087 -1.483 -0.558) 2.620 9.443 ( 0.119 3.305 1.721) 3.728 9.494 ( -0.428 -0.942 1.919) 2.180 9.580 ( -4.058 1.393 -0.326) 4.302 9.621 ( -3.032 -2.113 1.586) 4.022 9.676 ( 0.073 3.745 -3.401) 5.059 9.752 ( -1.595 -2.870 -4.425) 5.510 9.800 ( -0.990 3.394 -0.076) 3.536 9.861 ( -4.027 -2.627 0.759) 4.868 10.049 ( 0.148 4.877 -8.014) 9.383 10.104 ( -1.652 -0.289 -6.303) 6.522 10.233 ( 3.937 1.454 3.840) 5.689 10.256 ( 5.943 -0.664 1.973) 6.297 10.334 ( 0.493 0.270 4.100) 4.139 10.381 ( -0.503 -3.319 2.432) 4.145 10.456 ( 0.611 1.200 2.973) 3.264 10.492 ( 1.714 -2.041 1.647) 3.134 10.650 ( -1.946 0.119 -1.589) 2.516 10.682 ( 0.245 -2.221 -2.638) 3.457 10.864 ( 0.810 1.621 2.122) 2.790 10.897 ( 5.121 0.545 0.790) 5.210 10.940 ( 1.442 -1.773 0.327) 2.309 10.971 ( 0.917 -1.954 0.878) 2.330 11.098 ( 3.261 4.177 -2.638) 5.920 11.141 ( -0.285 0.572 -1.843) 1.951 11.177 ( 4.104 -1.798 0.286) 4.490 11.202 ( 0.399 -3.705 4.005) 5.471 11.326 ( 5.773 1.302 2.829) 6.559 11.400 ( 3.654 -5.808 -0.252) 6.866 11.529 ( -1.046 1.396 -1.534) 2.323 11.554 ( 1.263 -1.631 -1.798) 2.737 11.718 ( -2.623 5.547 3.598) 7.113 11.758 ( -3.105 1.648 0.982) 3.650 11.814 ( 0.825 -3.321 -1.571) 3.766 11.849 ( 0.156 -4.065 0.846) 4.155 12.225 ( 3.289 8.734 -2.128) 9.573 12.261 ( 2.865 5.410 0.171) 6.124 12.429 ( 3.602 -0.925 0.770) 3.798 12.534 ( 1.601 -9.677 0.992) 9.858 12.681 ( 3.448 1.925 -1.214) 4.132 12.726 ( 1.726 -2.094 -0.574) 2.774 13.039 ( -1.179 -0.161 5.964) 6.082 13.078 ( 4.279 -4.533 -8.429) 10.484 13.334 ( -4.087 11.279 0.090) 11.997 13.565 ( -1.248 -10.409 -1.262) 10.559 13.943 ( -3.694 6.243 3.542) 8.073 14.061 ( 0.348 -3.221 -1.440) 3.545 14.197 ( -6.011 -2.944 -2.652) 7.199 14.239 ( -2.540 -5.653 -0.914) 6.264 14.705 ( -0.785 4.254 2.063) 4.792 14.782 ( -1.857 -3.264 2.027) 4.267 15.292 ( -0.763 5.030 6.334) 8.124 15.365 ( 2.075 -1.395 0.650) 2.584 15.440 ( 3.320 0.491 -5.864) 6.756 15.458 ( 3.932 -2.079 -2.797) 5.254 15.783 ( -2.792 1.958 -0.899) 3.527 15.811 ( -2.016 -0.137 -5.593) 5.947 15.991 ( -0.098 3.460 3.369) 4.830 16.029 ( -0.970 -0.316 3.578) 3.720 17.754 ( 4.604 3.056 1.192) 5.653 17.818 ( 5.390 -3.239 0.181) 6.291 17.992 ( 5.111 4.450 -1.746) 6.998 18.057 ( 5.018 -1.885 -1.880) 5.681 18.826 ( 5.353 5.397 1.894) 7.834 18.889 ( 4.864 0.119 5.621) 7.434 19.113 ( 5.910 2.129 -1.146) 6.386 19.167 ( 5.807 -2.683 -0.600) 6.425 19.324 ( -1.270 6.876 -2.588) 7.456 19.475 ( -2.693 -1.731 -0.988) 3.350 19.661 ( -0.452 -0.663 5.289) 5.350 19.819 ( 1.465 -11.298 2.012) 11.569 20.036 ( -2.259 3.701 -1.916) 4.741 20.127 ( -2.184 -5.823 -3.388) 7.082 20.368 ( -6.410 0.671 -4.307) 7.752 20.386 ( -6.523 -1.422 -4.523) 8.064 20.752 ( -1.972 8.119 2.324) 8.673 20.890 ( -2.228 -4.818 -1.340) 5.475 21.173 ( -0.691 1.549 1.500) 2.264 21.251 ( 0.181 -5.529 -0.649) 5.570 21.648 ( -2.519 3.140 3.707) 5.472 21.694 ( -2.815 -1.603 3.687) 4.908 21.994 ( -11.172 2.834 -0.928) 11.563 22.020 ( -10.484 0.143 -4.596) 11.448 23.093 ( 2.215 1.264 -0.191) 2.557 23.120 ( 1.770 -1.562 -0.067) 2.362 23.197 ( 2.458 0.161 0.385) 2.493 23.202 ( 2.223 -0.374 -0.050) 2.255 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 7.663 6.109 4.589) 10.822 1.886 ( 5.277 -7.319 -0.477) 9.036 2.077 ( 6.254 6.008 3.994) 9.547 2.144 ( 2.200 -0.330 -0.563) 2.295 2.361 ( 2.936 6.238 -0.941) 6.958 2.454 ( 2.542 -1.606 -0.460) 3.042 2.480 ( 0.336 -0.585 0.505) 0.843 2.511 ( -1.924 -3.336 2.231) 4.451 2.624 ( 10.625 3.797 -5.349) 12.487 2.687 ( 5.134 -3.278 -1.751) 6.338 2.782 ( -8.221 6.992 4.790) 11.807 2.856 ( -2.962 1.103 -0.417) 3.188 2.905 ( -12.772 1.797 2.450) 13.129 2.931 ( -4.447 2.724 1.058) 5.322 3.005 ( -0.234 -3.989 12.073) 12.717 3.086 ( 2.396 -3.200 2.892) 4.934 3.188 ( 2.204 -2.407 2.116) 3.890 3.240 ( 6.638 -7.996 -0.026) 10.392 3.284 ( 4.202 -0.713 3.400) 5.452 3.328 ( 4.588 -2.053 5.884) 7.739 3.565 ( -2.958 2.177 -6.195) 7.202 3.622 ( -4.723 -3.750 -5.950) 8.471 3.717 ( -2.013 0.534 -5.282) 5.677 3.744 ( -3.257 -1.234 -5.912) 6.862 3.920 ( 2.018 3.670 -1.758) 4.542 3.944 ( -2.707 1.753 -1.143) 3.422 4.069 ( 1.452 -2.448 -3.555) 4.554 4.091 ( -2.814 -2.506 -0.528) 3.805 4.180 ( -0.088 -0.438 -0.337) 0.559 4.188 ( -2.319 -0.832 -0.257) 2.477 4.285 ( 4.182 4.719 -0.778) 6.353 4.349 ( -0.228 -0.150 -1.511) 1.536 4.425 ( 2.426 1.113 -0.804) 2.788 4.454 ( 3.000 0.737 -1.278) 3.343 4.505 ( 3.021 4.001 0.726) 5.065 4.552 ( 0.563 0.527 3.229) 3.319 4.598 ( 1.785 0.789 -0.073) 1.952 4.642 ( 5.316 -0.969 -0.326) 5.414 4.730 ( 5.586 9.316 -6.749) 12.788 4.777 ( -2.300 3.498 -1.091) 4.327 4.839 ( 3.014 -0.424 -7.236) 7.850 4.859 ( -2.499 0.951 -0.819) 2.797 4.974 ( -2.782 -0.095 -6.089) 6.695 5.046 ( 0.153 -9.105 -9.346) 13.048 5.107 ( 3.584 6.319 5.764) 9.273 5.193 ( 6.780 1.569 3.749) 7.904 5.318 ( 5.089 1.899 1.127) 5.548 5.437 ( 6.288 -6.627 6.424) 11.168 5.514 ( 2.921 3.953 12.925) 13.829 5.570 ( 7.028 1.114 11.301) 13.355 5.621 ( 1.096 10.843 4.124) 11.653 5.750 ( -8.137 -1.280 -0.108) 8.238 5.848 ( 7.902 -4.208 -6.556) 11.096 5.890 ( 2.692 -3.020 5.845) 7.109 5.948 ( 1.122 -0.989 4.804) 5.031 5.995 ( 0.684 -3.568 0.219) 3.640 6.117 ( -2.811 5.769 2.803) 7.003 6.244 ( 6.034 -1.051 -1.761) 6.373 6.270 ( -2.871 2.485 2.560) 4.580 6.381 ( 1.341 -2.064 -0.982) 2.650 6.525 ( 3.840 1.195 -2.562) 4.768 6.576 ( -0.318 -2.582 -6.225) 6.747 6.618 ( -0.539 4.418 3.772) 5.834 6.692 ( 0.559 -2.766 6.899) 7.454 6.739 ( -5.147 -0.658 -5.394) 7.485 6.804 ( -3.125 -6.214 -0.924) 7.016 6.877 ( -5.590 0.302 -2.973) 6.339 6.904 ( -1.472 -2.164 -5.113) 5.744 6.954 ( 1.384 2.452 -4.784) 5.551 7.011 ( -1.022 -2.909 -2.400) 3.907 7.147 ( -0.798 1.271 -2.550) 2.959 7.168 ( 0.141 -2.658 -5.970) 6.536 7.188 ( -0.541 0.375 4.976) 5.019 7.256 ( -1.522 -5.552 5.738) 8.128 7.496 ( -9.549 2.652 -4.738) 10.985 7.524 ( -12.022 0.338 -3.244) 12.457 7.625 ( -1.717 1.215 0.098) 2.106 7.662 ( -1.715 -0.953 1.944) 2.762 7.758 ( -3.584 6.192 0.888) 7.209 7.875 ( -6.058 -4.991 0.222) 7.852 8.028 ( -3.021 1.672 3.951) 5.247 8.067 ( -2.928 -2.285 1.464) 3.992 8.335 ( 1.024 2.369 4.670) 5.336 8.376 ( -1.454 -2.143 3.188) 4.107 8.657 ( 5.122 4.072 0.252) 6.548 8.748 ( 2.514 -5.661 0.434) 6.210 8.760 ( -1.575 2.315 3.222) 4.269 8.772 ( -3.207 2.114 1.586) 4.155 9.005 ( 2.445 1.323 -0.798) 2.893 9.027 ( 2.863 -0.762 0.346) 2.983 9.049 ( -1.941 0.536 -3.943) 4.428 9.077 ( -1.255 -1.727 0.389) 2.170 9.351 ( 4.255 4.084 0.122) 5.899 9.402 ( 6.931 -1.038 -0.174) 7.010 9.448 ( -2.020 2.030 -0.587) 2.923 9.478 ( -1.197 0.087 4.345) 4.508 9.522 ( -5.134 -1.806 0.282) 5.450 9.556 ( -2.213 -2.770 2.395) 4.278 9.670 ( 2.093 3.952 -4.196) 6.132 9.727 ( 2.445 -1.858 -5.112) 5.964 9.769 ( -1.459 1.293 -0.281) 1.970 9.789 ( -3.556 -0.948 0.620) 3.732 9.989 ( -1.057 2.359 -5.180) 5.789 10.025 ( -2.440 -1.405 -5.855) 6.497 10.314 ( 0.538 3.249 3.084) 4.512 10.325 ( 0.044 2.277 3.329) 4.033 10.366 ( 2.146 0.775 1.578) 2.774 10.413 ( 3.846 -4.003 -0.423) 5.567 10.489 ( -0.545 -1.448 -0.452) 1.612 10.491 ( -1.369 -0.476 -2.533) 2.918 10.636 ( 0.984 0.445 1.945) 2.224 10.661 ( -0.542 -2.021 0.093) 2.095 10.891 ( 1.327 3.158 0.465) 3.457 10.952 ( -0.761 2.576 -1.963) 3.327 10.961 ( 0.598 -3.356 0.805) 3.503 10.982 ( 0.916 -0.723 -0.989) 1.530 11.153 ( 3.820 1.570 -1.092) 4.272 11.167 ( 2.572 -0.860 0.850) 2.842 11.201 ( -2.279 -1.381 3.023) 4.030 11.206 ( -2.468 -2.922 4.174) 5.661 11.451 ( 3.602 -0.137 0.193) 3.610 11.480 ( 3.503 -3.212 -1.312) 4.930 11.551 ( 3.437 4.667 2.665) 6.379 11.597 ( 4.211 -0.401 0.816) 4.308 11.681 ( -3.387 2.905 3.335) 5.571 11.694 ( -3.698 1.441 0.878) 4.065 11.821 ( 1.847 -3.815 -2.959) 5.169 11.843 ( -1.557 -4.275 -0.401) 4.568 12.244 ( 0.043 8.666 -0.908) 8.713 12.287 ( 1.177 4.864 -3.518) 6.117 12.492 ( 1.668 -1.768 1.611) 2.916 12.538 ( -1.336 -6.615 0.271) 6.754 12.706 ( -3.291 0.889 4.255) 5.452 12.742 ( 1.878 -0.438 -2.723) 3.337 13.025 ( -2.725 4.108 3.896) 6.284 13.129 ( 6.954 -5.633 -11.045) 14.216 13.357 ( 4.463 7.410 3.964) 9.515 13.530 ( -1.838 -7.687 -2.163) 8.194 13.886 ( -2.665 0.222 1.904) 3.283 13.985 ( -3.455 -8.983 -4.423) 10.593 14.174 ( 0.949 0.691 1.741) 2.100 14.215 ( -0.361 -3.561 -0.007) 3.579 14.690 ( -0.942 1.910 1.671) 2.707 14.732 ( -2.975 -2.373 0.667) 3.863 15.305 ( -2.699 6.858 7.299) 10.372 15.400 ( 0.675 -1.614 0.325) 1.779 15.458 ( 2.559 0.508 -4.637) 5.320 15.498 ( 1.200 -2.753 -2.667) 4.016 15.742 ( -1.273 1.688 -0.779) 2.254 15.760 ( 0.062 0.174 -3.732) 3.737 16.007 ( 0.083 3.343 2.220) 4.014 16.028 ( -0.464 1.233 1.198) 1.781 17.851 ( 2.902 3.918 3.352) 5.917 17.913 ( 2.993 -1.976 -0.050) 3.587 18.053 ( 2.519 2.883 -1.365) 4.065 18.099 ( 0.717 -1.291 -2.303) 2.736 18.972 ( 6.650 2.149 5.325) 8.786 19.011 ( 3.727 -1.428 6.798) 7.883 19.213 ( 0.259 0.111 -5.356) 5.363 19.228 ( 1.851 -1.091 -5.112) 5.545 19.278 ( 0.175 6.802 2.323) 7.190 19.385 ( -3.556 -1.652 -0.501) 3.953 19.717 ( 1.814 0.172 5.477) 5.772 19.850 ( 0.530 -11.548 -0.184) 11.562 19.999 ( -0.223 3.086 -2.096) 3.737 20.059 ( -2.077 -3.175 -4.437) 5.838 20.216 ( -4.703 -0.863 -4.506) 6.570 20.227 ( -4.755 -1.940 -4.872) 7.079 20.773 ( 1.281 7.347 3.819) 8.379 20.861 ( -0.900 -0.665 -0.842) 1.401 21.200 ( 2.009 1.794 2.014) 3.363 21.260 ( 0.418 -3.733 -0.581) 3.801 21.626 ( -1.885 1.714 4.315) 5.010 21.657 ( -2.843 -1.416 3.551) 4.764 21.798 ( -6.449 2.108 -1.910) 7.048 21.824 ( -4.527 -0.730 -5.318) 7.022 23.142 ( 2.147 0.761 1.076) 2.519 23.159 ( 1.575 -1.049 0.932) 2.110 23.217 ( -0.129 0.283 -0.806) 0.864 23.224 ( 0.202 -0.465 -0.945) 1.072 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -1.227 1.031 2.668) 3.112 1.881 ( -5.139 -1.053 -7.268) 8.964 2.110 ( -2.521 4.275 1.621) 5.221 2.113 ( -6.661 4.517 0.317) 8.054 2.342 ( -9.424 7.087 0.394) 11.798 2.353 ( -4.314 -0.910 8.593) 9.658 2.416 ( -12.627 -3.997 7.662) 15.301 2.501 ( -0.418 -4.285 3.245) 5.392 2.600 ( -4.428 2.338 -2.079) 5.422 2.656 ( -4.101 -4.782 0.475) 6.317 2.790 ( -0.348 6.105 1.364) 6.265 2.855 ( 4.962 -0.884 -1.616) 5.293 2.930 ( 14.365 1.987 -1.503) 14.579 3.017 ( 3.722 -4.621 0.754) 5.981 3.064 ( 8.743 2.746 2.390) 9.470 3.176 ( 4.880 -7.521 -0.487) 8.979 3.298 ( 1.919 0.965 -3.899) 4.451 3.315 ( -3.336 -0.117 -9.146) 9.736 3.385 ( 0.915 0.988 -3.324) 3.587 3.426 ( 0.271 -2.870 -2.386) 3.742 3.435 ( 4.273 3.274 1.098) 5.494 3.558 ( 2.907 -3.585 -6.230) 7.753 3.638 ( 1.549 0.938 3.483) 3.926 3.719 ( 1.392 -5.575 -4.147) 7.087 3.866 ( -4.949 3.696 2.690) 6.737 3.941 ( -0.357 -0.471 0.355) 0.690 4.013 ( -3.977 -0.448 3.621) 5.397 4.071 ( 2.112 -3.948 1.959) 4.888 4.145 ( -2.410 1.237 3.013) 4.052 4.156 ( -2.681 0.293 0.549) 2.752 4.301 ( -3.457 3.469 -1.423) 5.100 4.322 ( -0.432 0.040 0.531) 0.686 4.404 ( -7.380 0.335 2.270) 7.729 4.406 ( -4.234 -0.127 2.465) 4.901 4.487 ( -14.944 10.126 3.973) 18.484 4.567 ( -0.595 4.041 1.334) 4.297 4.605 ( -3.781 4.299 -3.974) 6.969 4.617 ( 1.210 1.284 -1.294) 2.188 4.714 ( 1.970 2.730 2.256) 4.052 4.755 ( -4.780 -4.152 -2.624) 6.854 4.779 ( -5.897 -2.590 1.314) 6.574 4.837 ( 5.037 -3.845 -0.998) 6.415 4.959 ( 3.043 -1.363 -2.216) 4.003 4.993 ( 1.129 -2.930 -5.557) 6.383 5.201 ( -0.760 8.058 1.989) 8.335 5.235 ( -4.129 5.912 -6.924) 9.996 5.362 ( -9.009 -1.317 -3.608) 9.794 5.425 ( -0.827 -8.318 5.208) 9.849 5.561 ( -6.257 2.639 9.078) 11.337 5.587 ( -7.431 0.766 10.188) 12.633 5.747 ( -2.370 4.820 -1.506) 5.578 5.777 ( 5.707 3.221 0.930) 6.619 5.794 ( 1.583 -0.234 -2.014) 2.572 5.908 ( 3.588 -6.667 -1.569) 7.732 5.984 ( 2.953 4.696 -0.817) 5.608 6.024 ( 6.644 1.608 -1.546) 7.009 6.225 ( -3.541 1.897 -4.310) 5.892 6.265 ( 0.165 -3.523 -2.896) 4.564 6.354 ( 0.677 1.683 2.179) 2.835 6.375 ( -2.381 5.626 -4.429) 7.545 6.454 ( 0.537 -4.934 3.382) 6.006 6.504 ( -4.628 -5.379 -1.277) 7.210 6.600 ( 0.531 4.009 -0.815) 4.125 6.667 ( 2.622 -2.162 1.733) 3.814 6.725 ( -2.020 1.008 2.112) 3.092 6.769 ( 5.967 -2.078 1.381) 6.468 6.847 ( -2.211 1.424 3.323) 4.238 6.929 ( 0.938 -3.831 1.344) 4.167 6.950 ( 1.222 -2.057 -5.125) 5.656 6.970 ( 0.766 -3.641 -4.780) 6.057 7.125 ( 2.938 0.272 -2.730) 4.020 7.144 ( 2.677 -2.163 -4.173) 5.409 7.240 ( -1.111 3.309 -1.588) 3.835 7.338 ( 4.442 -5.696 -2.053) 7.510 7.404 ( 4.570 3.434 6.457) 8.624 7.458 ( 5.125 -2.102 5.223) 7.614 7.614 ( 0.269 3.594 0.698) 3.671 7.653 ( 3.373 1.342 1.162) 3.811 7.789 ( -0.612 -0.751 -0.934) 1.345 7.831 ( 6.210 -3.491 3.581) 7.973 8.074 ( 5.530 1.825 0.872) 5.888 8.093 ( 4.909 -0.554 -2.806) 5.681 8.356 ( -1.213 2.662 2.189) 3.653 8.407 ( 2.684 -2.004 2.163) 3.987 8.649 ( -6.999 3.647 0.300) 7.898 8.717 ( -2.950 -3.328 3.526) 5.675 8.776 ( 4.024 2.966 -0.437) 5.018 8.822 ( 3.289 -2.215 0.355) 3.981 9.001 ( 0.097 2.321 -2.556) 3.454 9.025 ( 1.533 0.026 -3.829) 4.124 9.068 ( -0.459 0.375 -1.325) 1.451 9.090 ( 1.812 -1.841 0.113) 2.586 9.348 ( -6.614 2.010 0.087) 6.913 9.382 ( -7.144 -0.085 1.301) 7.262 9.425 ( 1.153 1.716 1.828) 2.760 9.485 ( -0.676 -3.339 2.585) 4.276 9.526 ( 1.900 0.764 2.492) 3.226 9.554 ( 2.884 -0.765 2.933) 4.184 9.684 ( -1.932 0.910 -4.286) 4.789 9.694 ( 1.152 -0.292 -4.331) 4.491 9.765 ( 3.369 4.247 -0.733) 5.470 9.836 ( 5.825 -2.260 -2.758) 6.830 9.948 ( -2.254 -0.027 -1.034) 2.480 9.956 ( -0.679 -1.015 -0.429) 1.294 10.330 ( 0.824 4.915 1.828) 5.308 10.371 ( -0.060 2.358 -1.715) 2.916 10.403 ( 0.758 -1.439 1.970) 2.555 10.418 ( -0.264 -1.531 -1.488) 2.151 10.451 ( 0.343 0.037 -0.856) 0.923 10.487 ( 0.529 -2.714 -1.041) 2.955 10.642 ( -0.598 0.814 0.731) 1.246 10.683 ( 0.953 -2.920 -1.060) 3.249 10.903 ( -1.525 3.688 -0.707) 4.053 10.920 ( -0.050 3.885 0.136) 3.887 10.960 ( -1.237 -2.165 0.723) 2.596 10.978 ( -0.265 -2.067 -0.497) 2.143 11.100 ( -6.309 -0.448 3.315) 7.141 11.129 ( -6.015 -3.516 4.920) 8.530 11.254 ( 5.533 1.315 -1.892) 5.994 11.286 ( 5.301 -2.126 -1.985) 6.047 11.474 ( -0.487 -0.935 -1.445) 1.789 11.487 ( -0.681 -2.235 -3.347) 4.082 11.577 ( -5.214 2.162 1.786) 5.920 11.604 ( -4.435 -0.569 0.758) 4.535 11.681 ( 2.956 4.692 1.983) 5.889 11.716 ( 4.496 3.646 -0.610) 5.820 11.789 ( -2.748 -2.859 0.270) 3.975 11.852 ( 2.641 -6.372 -2.109) 7.213 12.225 ( -1.811 8.173 0.540) 8.389 12.283 ( 1.020 3.734 -3.448) 5.184 12.476 ( -4.596 -0.521 3.553) 5.832 12.534 ( 0.003 -2.049 1.376) 2.468 12.645 ( -4.589 -1.301 4.309) 6.428 12.741 ( -1.812 -6.384 2.802) 7.203 13.017 ( 0.871 9.451 -1.413) 9.595 13.199 ( 7.361 -6.882 -12.176) 15.805 13.442 ( -4.025 2.115 -4.575) 6.450 13.483 ( 4.452 -0.222 2.653) 5.187 13.902 ( 2.498 -4.153 3.391) 5.915 13.942 ( 2.134 -8.386 -3.149) 9.209 14.170 ( -2.329 1.310 1.847) 3.248 14.221 ( 0.570 -3.413 -0.310) 3.474 14.702 ( 0.182 0.064 0.796) 0.819 14.716 ( 2.039 -0.930 1.793) 2.870 15.279 ( -4.875 6.772 8.863) 12.173 15.388 ( -2.748 -3.200 2.164) 4.740 15.455 ( -0.658 1.009 -3.608) 3.804 15.491 ( -0.117 -1.470 -2.173) 2.626 15.716 ( -0.927 2.940 0.172) 3.088 15.756 ( 0.942 -1.173 -1.852) 2.386 16.029 ( 1.003 2.614 0.447) 2.836 16.033 ( 0.980 2.131 0.301) 2.365 17.877 ( -2.877 3.323 2.305) 4.964 17.913 ( -2.092 -0.158 -1.261) 2.448 18.059 ( -2.861 0.431 -1.736) 3.374 18.076 ( -0.378 -0.906 -0.266) 1.017 19.060 ( -6.090 2.868 0.414) 6.744 19.108 ( -2.234 1.977 0.392) 3.009 19.115 ( 1.378 -2.620 4.821) 5.658 19.158 ( -1.180 -2.909 -5.675) 6.485 19.301 ( -2.956 5.902 0.302) 6.608 19.384 ( 3.387 -0.900 -0.574) 3.551 19.772 ( 0.458 -0.604 2.949) 3.045 19.865 ( 3.467 -7.947 -2.563) 9.041 19.997 ( 0.122 0.479 -4.065) 4.095 20.015 ( 1.884 -1.913 -0.300) 2.702 20.168 ( 1.541 -1.118 0.735) 2.041 20.181 ( 1.521 -2.218 -0.628) 2.762 20.817 ( -0.232 4.599 2.795) 5.387 20.825 ( -1.417 3.872 -0.639) 4.172 21.239 ( -0.464 -0.718 -0.731) 1.125 21.254 ( 0.990 -2.288 -0.944) 2.666 21.639 ( -0.328 0.785 3.569) 3.669 21.656 ( 2.137 -0.953 4.428) 5.008 21.767 ( 4.709 3.863 -1.535) 6.282 21.823 ( 6.892 -1.945 -4.005) 8.205 23.163 ( -1.967 0.382 -0.874) 2.186 23.172 ( -0.442 -0.466 0.116) 0.652 23.203 ( -0.807 -0.041 0.481) 0.940 23.207 ( -0.498 -0.375 0.329) 0.705 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -15.703 10.493 -4.798) 19.486 1.739 ( -8.819 -2.835 -2.885) 9.703 1.945 ( -9.349 7.251 2.048) 12.007 2.052 ( -6.751 -2.128 -1.010) 7.150 2.160 ( -9.893 13.932 6.955) 18.448 2.248 ( -5.585 -0.148 4.411) 7.118 2.322 ( -4.280 -6.363 3.004) 8.235 2.486 ( -6.201 -16.710 5.396) 18.622 2.570 ( 1.044 3.086 -1.118) 3.445 2.608 ( -2.777 -2.981 -0.944) 4.182 2.811 ( 1.498 5.403 0.761) 5.658 2.859 ( -2.246 -1.573 -5.128) 5.815 3.010 ( 1.148 1.246 1.416) 2.208 3.062 ( -3.421 -3.201 -2.449) 5.286 3.164 ( -5.712 0.799 -0.825) 5.826 3.214 ( -2.958 -1.842 -5.145) 6.214 3.272 ( 6.168 5.179 -1.155) 8.136 3.321 ( 10.795 3.548 -0.964) 11.404 3.348 ( 6.284 1.054 -11.339) 13.007 3.494 ( 10.417 -5.275 -6.127) 13.187 3.543 ( -0.993 6.634 5.827) 8.885 3.603 ( 3.364 3.430 3.271) 5.812 3.670 ( -2.841 -0.765 -3.503) 4.574 3.725 ( -3.121 -3.664 3.180) 5.768 3.850 ( 4.458 1.393 1.868) 5.030 3.919 ( 0.942 -3.926 2.290) 4.642 4.013 ( -7.029 4.141 -2.584) 8.558 4.086 ( -0.620 5.268 3.418) 6.310 4.114 ( -4.384 -0.405 3.084) 5.375 4.153 ( -8.298 2.480 2.628) 9.051 4.170 ( -0.886 4.767 4.826) 6.841 4.234 ( -5.138 -1.251 2.595) 5.890 4.271 ( -0.594 -5.089 3.035) 5.955 4.325 ( -4.227 2.843 2.556) 5.699 4.359 ( -4.152 -2.425 3.766) 6.107 4.489 ( -9.691 -0.819 0.587) 9.744 4.503 ( -6.700 0.542 2.698) 7.243 4.610 ( -6.942 -9.944 -1.235) 12.190 4.629 ( 2.472 -1.273 1.200) 3.029 4.669 ( -2.724 -0.681 -0.284) 2.823 4.828 ( -4.389 0.026 -3.774) 5.789 4.853 ( 3.621 4.153 -4.425) 7.066 4.908 ( -4.129 0.752 -0.264) 4.206 5.021 ( 1.256 -1.779 3.221) 3.889 5.087 ( -5.584 6.675 -3.581) 9.410 5.125 ( -0.755 5.014 1.482) 5.283 5.256 ( -4.059 0.276 -1.690) 4.406 5.365 ( -5.281 -6.285 3.469) 8.912 5.408 ( -9.831 3.657 3.040) 10.921 5.502 ( -7.199 0.244 7.799) 10.617 5.632 ( -2.256 1.829 -9.313) 9.755 5.705 ( -4.319 9.426 -8.518) 13.419 5.849 ( 0.794 -9.937 -0.350) 9.975 5.937 ( -4.198 -12.150 -8.491) 15.406 5.976 ( -2.483 4.002 -4.170) 6.291 6.071 ( -5.030 -5.283 -7.120) 10.194 6.149 ( 0.273 5.509 0.762) 5.568 6.185 ( -2.656 2.542 2.323) 4.349 6.296 ( 0.945 2.110 -6.421) 6.825 6.364 ( 0.179 -1.139 -2.946) 3.164 6.462 ( 0.024 -0.950 1.629) 1.886 6.522 ( 1.186 -5.911 0.796) 6.081 6.633 ( 0.041 2.178 -0.005) 2.179 6.702 ( 1.762 -3.131 0.839) 3.689 6.812 ( 2.108 1.459 3.252) 4.141 6.822 ( 7.587 0.047 6.991) 10.317 6.874 ( 1.687 -0.454 0.159) 1.755 6.965 ( 0.013 -5.658 3.168) 6.484 7.008 ( 6.461 -2.056 -0.318) 6.788 7.034 ( 6.457 -2.914 -0.875) 7.138 7.181 ( 5.943 7.578 -0.979) 9.680 7.237 ( 6.879 1.464 -1.306) 7.154 7.306 ( 6.473 -1.407 -1.084) 6.712 7.375 ( 2.638 -4.892 -2.880) 6.260 7.528 ( 1.965 7.260 7.197) 10.410 7.652 ( 3.037 -5.047 3.402) 6.802 7.706 ( 7.433 1.345 2.461) 7.945 7.714 ( 7.144 1.149 2.320) 7.599 7.907 ( 9.438 6.134 3.615) 11.823 7.988 ( 6.343 -1.744 4.765) 8.123 8.167 ( 3.612 3.801 -4.558) 6.948 8.233 ( 9.435 -2.186 -1.870) 9.864 8.355 ( 0.075 5.031 -0.003) 5.032 8.424 ( -2.040 -2.095 -0.384) 2.949 8.513 ( -5.472 5.749 1.916) 8.165 8.686 ( 0.151 -9.917 -0.886) 9.957 8.854 ( 2.335 1.949 -2.895) 4.199 8.871 ( 3.374 1.032 -1.368) 3.784 8.968 ( -3.366 2.082 -2.293) 4.574 9.024 ( -0.717 -3.047 -3.763) 4.894 9.059 ( 1.362 2.364 0.283) 2.743 9.088 ( -0.369 -0.773 -0.205) 0.881 9.247 ( -1.982 1.228 1.170) 2.609 9.278 ( -2.582 -2.027 0.635) 3.344 9.440 ( 0.102 2.510 1.878) 3.136 9.487 ( -0.822 -2.471 3.623) 4.462 9.597 ( 2.961 2.398 1.623) 4.141 9.629 ( -0.376 2.938 -2.749) 4.041 9.655 ( 2.935 -2.796 3.701) 5.489 9.686 ( 1.515 -3.086 -4.462) 5.633 9.833 ( 2.764 4.391 -2.367) 5.703 9.893 ( -0.232 -1.435 -0.577) 1.564 9.926 ( 2.126 3.547 2.340) 4.752 9.976 ( -0.348 -1.702 5.488) 5.757 10.306 ( -2.126 0.806 -3.009) 3.772 10.316 ( -0.798 -0.617 -3.060) 3.222 10.412 ( 1.325 1.745 -4.248) 4.780 10.449 ( -2.233 0.383 -2.292) 3.223 10.488 ( 2.548 0.860 1.821) 3.248 10.514 ( 5.772 -2.008 -3.814) 7.204 10.630 ( -1.069 -1.134 1.078) 1.895 10.643 ( -3.873 -2.078 0.337) 4.408 10.876 ( -1.683 2.910 0.537) 3.404 10.912 ( -1.664 2.809 -0.085) 3.266 10.918 ( -2.706 -0.143 1.095) 2.922 10.971 ( -1.499 -3.081 0.958) 3.558 11.029 ( -2.028 -0.872 2.545) 3.369 11.058 ( -3.535 -3.188 5.696) 7.423 11.279 ( -2.898 -0.228 -6.197) 6.845 11.288 ( -4.495 -2.536 -4.214) 6.663 11.408 ( -2.701 -0.298 -5.639) 6.260 11.439 ( -1.734 -2.725 -3.765) 4.961 11.502 ( -0.421 1.299 1.353) 1.922 11.533 ( -1.526 -2.126 0.350) 2.640 11.734 ( 0.221 3.518 2.853) 4.535 11.742 ( -0.520 2.485 1.628) 3.016 11.803 ( 2.921 0.083 -0.786) 3.026 11.882 ( 1.766 -5.484 -2.185) 6.162 12.182 ( -3.476 8.839 1.733) 9.655 12.266 ( -2.469 1.203 -0.791) 2.858 12.399 ( -5.093 3.530 4.741) 7.802 12.521 ( -2.407 -2.445 1.826) 3.887 12.597 ( -3.427 -3.718 4.695) 6.900 12.725 ( -1.305 -9.667 1.417) 9.857 13.019 ( 0.525 10.190 -2.877) 10.601 13.214 ( 0.557 -9.116 -11.049) 14.335 13.388 ( 3.901 9.296 -5.359) 11.417 13.558 ( 2.646 -6.175 0.032) 6.719 13.998 ( 5.503 -1.996 -2.405) 6.329 14.002 ( 1.107 0.031 4.769) 4.896 14.163 ( 3.374 -0.599 0.680) 3.494 14.226 ( 0.605 -5.703 0.577) 5.764 14.722 ( 0.774 2.805 0.162) 2.914 14.780 ( 2.041 -2.706 2.052) 3.962 15.248 ( -4.046 4.662 10.332) 12.035 15.334 ( -3.976 -3.639 4.021) 6.725 15.408 ( -2.400 2.172 -1.692) 3.653 15.443 ( -2.981 -1.116 -2.173) 3.854 15.723 ( 0.761 3.584 2.807) 4.616 15.773 ( 1.729 -1.884 0.078) 2.558 16.044 ( 1.214 3.110 -1.887) 3.835 16.073 ( 2.538 0.407 -0.815) 2.697 17.780 ( -6.051 2.171 -1.083) 6.519 17.831 ( -5.142 -2.321 -1.037) 5.736 17.974 ( -4.944 3.075 -0.090) 5.823 18.032 ( -4.430 -2.396 0.498) 5.062 18.884 ( -7.581 7.870 -3.796) 11.568 19.021 ( -5.006 -4.894 -7.994) 10.627 19.075 ( -4.153 2.745 2.369) 5.513 19.139 ( -2.931 -3.741 2.492) 5.366 19.257 ( -3.124 7.490 3.927) 9.015 19.428 ( 0.364 -7.363 4.086) 8.429 19.791 ( 2.174 3.985 -7.107) 8.433 19.903 ( 2.591 -4.346 -4.508) 6.776 20.016 ( 1.532 0.210 -1.642) 2.255 20.063 ( 2.975 -5.325 1.388) 6.256 20.276 ( 7.816 0.769 5.156) 9.395 20.302 ( 8.407 -1.998 4.186) 9.601 20.787 ( 0.076 6.465 -1.256) 6.586 20.848 ( 1.619 1.065 2.960) 3.538 21.217 ( 0.121 -1.281 -2.377) 2.703 21.254 ( -0.735 -4.648 -1.107) 4.834 21.683 ( 2.597 3.344 0.618) 4.278 21.736 ( 3.507 -2.103 0.191) 4.094 21.940 ( 11.093 4.576 2.639) 12.287 21.996 ( 11.545 -1.087 -1.598) 11.706 23.099 ( -3.273 1.232 -0.800) 3.587 23.127 ( -2.696 -1.683 -0.753) 3.266 23.192 ( -1.538 0.151 0.914) 1.796 23.197 ( -1.287 -0.312 0.486) 1.411 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -6.524 16.050 4.125) 17.809 1.578 ( -4.682 -3.253 -2.775) 6.341 1.757 ( -14.307 12.638 7.665) 20.571 1.875 ( -5.675 -3.259 -2.073) 6.864 2.038 ( -5.966 -2.356 0.176) 6.417 2.078 ( -14.445 -2.666 2.349) 14.876 2.328 ( 3.106 -5.958 6.620) 9.433 2.402 ( 1.242 -11.392 -1.668) 11.581 2.530 ( -3.959 0.784 -2.338) 4.664 2.578 ( -0.321 -0.966 -3.905) 4.035 2.758 ( -3.077 9.899 -6.610) 12.294 2.847 ( 0.242 -2.008 0.193) 2.032 2.977 ( -5.064 4.556 2.286) 7.186 3.037 ( -0.250 12.680 0.697) 12.701 3.135 ( 1.514 -3.323 4.014) 5.426 3.181 ( 1.489 -2.902 4.237) 5.347 3.338 ( -2.943 2.798 -1.041) 4.192 3.375 ( 4.461 -0.167 0.317) 4.475 3.441 ( -1.341 8.690 5.771) 10.517 3.585 ( 4.271 5.433 -0.029) 6.911 3.611 ( 2.574 1.485 0.037) 2.972 3.640 ( 5.665 1.690 -2.649) 6.478 3.715 ( 3.342 -0.311 -1.812) 3.814 3.750 ( 8.927 -3.162 -6.268) 11.357 3.823 ( -5.643 3.841 -0.864) 6.881 3.868 ( -8.235 3.671 1.885) 9.211 3.920 ( -3.312 1.443 1.486) 3.906 3.976 ( -8.644 0.077 2.246) 8.931 4.052 ( 1.498 -4.963 -0.070) 5.184 4.137 ( -1.739 -0.393 1.140) 2.116 4.165 ( -3.986 6.493 -0.055) 7.619 4.197 ( -2.947 2.476 1.048) 3.989 4.229 ( 3.474 -5.499 -0.943) 6.573 4.280 ( -0.645 0.308 0.167) 0.734 4.336 ( -4.586 -3.732 0.110) 5.913 4.407 ( -0.397 -8.126 8.366) 11.669 4.430 ( -1.544 2.030 2.515) 3.582 4.479 ( -4.263 -11.181 1.905) 12.117 4.599 ( -7.374 3.660 -1.545) 8.376 4.642 ( -4.498 1.502 0.644) 4.786 4.693 ( -0.822 -4.217 1.629) 4.595 4.760 ( -5.651 -2.236 -7.257) 9.466 4.924 ( 0.846 8.089 0.349) 8.140 5.008 ( 1.030 6.768 -2.568) 7.311 5.059 ( 0.868 8.885 -3.383) 9.547 5.159 ( 1.977 1.756 1.826) 3.214 5.183 ( -1.241 -3.076 1.226) 3.536 5.283 ( -3.584 -4.417 2.928) 6.397 5.345 ( -0.108 -4.470 5.815) 7.335 5.453 ( -3.988 -12.508 -3.126) 13.495 5.480 ( -2.518 6.891 0.335) 7.345 5.633 ( -5.914 -3.494 -2.551) 7.328 5.774 ( -1.404 -3.657 -6.260) 7.385 5.864 ( -3.337 3.056 -4.109) 6.112 5.893 ( -0.688 -9.839 0.294) 9.867 5.949 ( -1.892 -4.150 -4.749) 6.585 6.049 ( -4.274 2.666 -0.882) 5.115 6.127 ( -9.661 -6.391 -1.513) 11.682 6.244 ( 5.164 8.368 -4.910) 10.991 6.388 ( 1.775 -1.737 -4.483) 5.125 6.459 ( -3.185 -6.953 -5.290) 9.299 6.469 ( -1.248 -3.644 -0.914) 3.959 6.672 ( 0.416 1.696 1.594) 2.364 6.712 ( -0.959 -1.707 -2.326) 3.040 6.913 ( 1.293 -0.685 -2.275) 2.705 6.918 ( 2.070 -1.106 0.183) 2.354 6.996 ( 10.125 5.181 6.022) 12.870 7.059 ( 3.591 -1.413 6.316) 7.402 7.087 ( 0.821 -1.187 -0.101) 1.447 7.137 ( 6.437 -3.855 -0.735) 7.539 7.290 ( 0.719 7.409 0.741) 7.480 7.324 ( 5.099 4.783 -0.416) 7.003 7.395 ( 0.844 -4.311 -1.737) 4.724 7.423 ( 3.513 -3.612 -0.736) 5.092 7.644 ( 5.138 5.995 9.180) 12.108 7.704 ( 4.772 0.864 2.301) 5.368 7.823 ( 2.893 4.763 2.939) 6.300 7.895 ( 4.832 -1.412 1.839) 5.359 8.040 ( -3.456 3.231 4.172) 6.307 8.075 ( -1.719 -0.071 6.089) 6.328 8.171 ( 2.389 7.737 -0.558) 8.117 8.311 ( 0.151 -5.342 2.370) 5.846 8.390 ( 3.484 1.504 1.016) 3.929 8.402 ( 2.986 2.666 3.068) 5.043 8.592 ( 9.555 3.455 -2.540) 10.473 8.676 ( -0.222 -2.848 -4.955) 5.719 8.841 ( -2.715 1.653 -2.695) 4.168 8.877 ( 0.519 -0.642 -4.506) 4.581 8.917 ( -0.340 -0.595 -4.315) 4.369 8.957 ( 0.916 -5.299 -1.206) 5.511 9.092 ( 0.085 2.368 -0.126) 2.373 9.116 ( 3.092 -0.426 -0.844) 3.233 9.300 ( 3.511 1.405 1.946) 4.253 9.313 ( 5.544 0.651 1.244) 5.719 9.438 ( -2.743 1.434 1.050) 3.269 9.462 ( -2.812 -0.664 -0.154) 2.894 9.595 ( -2.085 2.889 3.795) 5.205 9.646 ( -2.100 -2.112 2.936) 4.182 9.683 ( 1.940 0.805 -2.374) 3.170 9.720 ( 0.677 -2.817 0.896) 3.033 9.867 ( 3.697 4.181 -3.190) 6.428 9.907 ( 1.440 1.429 4.163) 4.631 9.956 ( -0.072 -0.122 2.084) 2.089 10.004 ( -1.588 -2.583 4.163) 5.150 10.285 ( 4.458 3.858 -4.301) 7.298 10.324 ( 1.665 0.245 -3.878) 4.227 10.389 ( 0.814 1.225 -6.273) 6.443 10.405 ( -0.805 -0.573 -3.122) 3.275 10.441 ( -4.405 -0.536 -2.212) 4.959 10.518 ( -2.456 -6.175 -3.054) 7.314 10.603 ( -3.053 1.778 2.762) 4.485 10.657 ( 0.890 -2.855 -0.854) 3.110 10.807 ( -4.892 2.276 2.959) 6.154 10.838 ( -2.910 1.913 -0.661) 3.544 10.879 ( -4.808 -2.908 0.270) 5.625 10.924 ( -3.663 -3.998 0.366) 5.435 11.024 ( -1.891 3.309 3.732) 5.334 11.092 ( 5.718 0.364 0.984) 5.813 11.164 ( -0.824 -1.558 -1.354) 2.223 11.171 ( -4.219 -1.600 -3.430) 5.668 11.311 ( -3.278 -1.536 -4.381) 5.683 11.368 ( -2.900 -5.659 -3.131) 7.088 11.544 ( 2.158 0.692 0.852) 2.421 11.563 ( 3.242 -1.349 0.010) 3.511 11.731 ( -1.742 2.375 3.055) 4.243 11.753 ( -0.176 -0.243 3.195) 3.209 11.837 ( 1.417 2.716 -3.069) 4.337 11.896 ( 1.150 -1.785 -2.903) 3.596 12.116 ( -3.666 7.605 1.729) 8.617 12.166 ( -6.712 3.400 1.816) 7.740 12.362 ( -1.576 2.087 2.934) 3.930 12.466 ( -3.525 -5.616 0.382) 6.641 12.572 ( -2.058 -1.393 4.647) 5.270 12.695 ( -1.310 -9.806 -2.369) 10.173 13.012 ( 0.246 7.818 -0.852) 7.868 13.146 ( -0.211 -5.693 -7.980) 9.805 13.473 ( 6.311 6.633 -3.980) 9.983 13.595 ( 1.251 -4.593 -1.523) 4.999 13.987 ( -2.903 4.426 3.323) 6.250 14.055 ( 1.460 -0.931 -3.982) 4.342 14.304 ( 7.017 -2.190 2.296) 7.700 14.327 ( 9.832 -3.731 3.000) 10.936 14.696 ( -3.765 3.544 -0.659) 5.212 14.773 ( -4.160 -3.844 0.107) 5.665 15.255 ( -2.141 2.945 9.733) 10.392 15.302 ( -2.238 -1.308 3.872) 4.659 15.345 ( -2.974 2.032 1.599) 3.941 15.393 ( 0.201 -2.364 -3.402) 4.148 15.776 ( 1.783 3.792 5.572) 6.972 15.836 ( 3.809 -2.956 2.801) 5.577 16.041 ( 0.094 3.692 -3.974) 5.425 16.099 ( 0.740 -2.351 -3.254) 4.082 17.680 ( -2.433 3.201 -0.186) 4.025 17.749 ( -1.442 -3.446 -0.583) 3.780 17.863 ( -6.236 2.955 -0.089) 6.901 17.918 ( -7.062 -2.305 0.409) 7.440 18.748 ( -4.361 9.356 -1.313) 10.406 18.866 ( -4.949 -1.342 -6.607) 8.363 19.024 ( -2.363 -0.097 0.980) 2.560 19.076 ( -3.249 -4.154 -0.260) 5.280 19.241 ( -1.597 11.008 7.992) 13.696 19.454 ( -0.759 -5.591 4.723) 7.359 19.749 ( -0.812 1.461 -8.189) 8.358 19.891 ( 0.570 -7.547 -8.944) 11.717 20.073 ( 3.838 2.092 1.713) 4.695 20.118 ( 1.250 -3.244 3.479) 4.918 20.455 ( 4.940 0.458 1.124) 5.087 20.468 ( 5.757 -1.112 2.135) 6.240 20.844 ( 6.457 5.950 0.172) 8.782 20.949 ( 6.277 -3.819 1.751) 7.553 21.200 ( -1.471 -2.118 -1.821) 3.157 21.232 ( -0.309 -4.248 1.207) 4.427 21.717 ( 0.934 3.993 -1.895) 4.517 21.769 ( 0.396 -1.486 -2.699) 3.106 22.160 ( 8.139 4.095 3.101) 9.624 22.206 ( 9.710 -0.270 -1.621) 9.848 23.048 ( -1.405 1.525 0.748) 2.204 23.082 ( -1.503 -2.013 0.619) 2.587 23.152 ( -2.329 0.484 -0.692) 2.477 23.163 ( -2.008 -0.596 -0.620) 2.184 =================== 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 3/31500 10.0 932.615 889.929 973.304 0.000 -6.224 0.000 3/31500 20.0 139.970 126.179 92.397 0.000 -4.724 0.000 3/31500 30.0 49.139 42.166 30.042 0.000 -1.958 0.000 3/31500 40.0 25.581 21.505 15.371 0.000 -0.944 0.000 3/31500 50.0 16.331 13.596 9.775 0.000 -0.539 0.000 3/31500 60.0 11.705 9.697 7.011 0.000 -0.346 0.000 3/31500 70.0 9.017 7.448 5.416 0.000 -0.240 0.000 3/31500 80.0 7.289 6.010 4.393 0.000 -0.177 0.000 3/31500 90.0 6.098 5.021 3.689 0.000 -0.137 0.000 3/31500 100.0 5.234 4.305 3.178 0.000 -0.110 0.000 3/31500 110.0 4.581 3.766 2.792 0.000 -0.091 0.000 3/31500 120.0 4.072 3.346 2.490 0.000 -0.077 0.000 3/31500 130.0 3.664 3.011 2.249 0.000 -0.067 0.000 3/31500 140.0 3.332 2.738 2.052 0.000 -0.059 0.000 3/31500 150.0 3.056 2.511 1.887 0.000 -0.053 0.000 3/31500 160.0 2.823 2.320 1.748 0.000 -0.048 0.000 3/31500 170.0 2.623 2.157 1.629 0.000 -0.044 0.000 3/31500 180.0 2.451 2.017 1.526 0.000 -0.040 0.000 3/31500 190.0 2.301 1.894 1.436 0.000 -0.037 0.000 3/31500 200.0 2.168 1.786 1.356 0.000 -0.035 0.000 3/31500 210.0 2.051 1.690 1.285 0.000 -0.033 0.000 3/31500 220.0 1.946 1.604 1.221 0.000 -0.031 0.000 3/31500 230.0 1.852 1.527 1.164 0.000 -0.029 0.000 3/31500 240.0 1.766 1.457 1.112 0.000 -0.028 0.000 3/31500 250.0 1.689 1.393 1.065 0.000 -0.026 0.000 3/31500 260.0 1.618 1.335 1.022 0.000 -0.025 0.000 3/31500 270.0 1.553 1.282 0.982 0.000 -0.024 0.000 3/31500 280.0 1.493 1.233 0.945 0.000 -0.023 0.000 3/31500 290.0 1.438 1.188 0.911 0.000 -0.022 0.000 3/31500 300.0 1.387 1.146 0.880 0.000 -0.021 0.000 3/31500 310.0 1.339 1.107 0.851 0.000 -0.021 0.000 3/31500 320.0 1.295 1.071 0.823 0.000 -0.020 0.000 3/31500 330.0 1.254 1.037 0.798 0.000 -0.019 0.000 3/31500 340.0 1.215 1.005 0.774 0.000 -0.019 0.000 3/31500 350.0 1.179 0.975 0.751 0.000 -0.018 0.000 3/31500 360.0 1.145 0.947 0.730 0.000 -0.017 0.000 3/31500 370.0 1.112 0.921 0.710 0.000 -0.017 0.000 3/31500 380.0 1.082 0.896 0.691 0.000 -0.016 0.000 3/31500 390.0 1.053 0.872 0.673 0.000 -0.016 0.000 3/31500 400.0 1.026 0.850 0.655 0.000 -0.016 0.000 3/31500 410.0 1.000 0.828 0.639 0.000 -0.015 0.000 3/31500 420.0 0.976 0.808 0.624 0.000 -0.015 0.000 3/31500 430.0 0.952 0.789 0.609 0.000 -0.014 0.000 3/31500 440.0 0.930 0.771 0.595 0.000 -0.014 0.000 3/31500 450.0 0.909 0.753 0.582 0.000 -0.014 0.000 3/31500 460.0 0.888 0.736 0.569 0.000 -0.013 0.000 3/31500 470.0 0.869 0.720 0.557 0.000 -0.013 0.000 3/31500 480.0 0.851 0.705 0.545 0.000 -0.013 0.000 3/31500 490.0 0.833 0.690 0.534 0.000 -0.012 0.000 3/31500 500.0 0.816 0.676 0.523 0.000 -0.012 0.000 3/31500 510.0 0.800 0.663 0.513 0.000 -0.012 0.000 3/31500 520.0 0.784 0.650 0.503 0.000 -0.012 0.000 3/31500 530.0 0.769 0.638 0.493 0.000 -0.011 0.000 3/31500 540.0 0.754 0.626 0.484 0.000 -0.011 0.000 3/31500 550.0 0.740 0.614 0.475 0.000 -0.011 0.000 3/31500 560.0 0.727 0.603 0.467 0.000 -0.011 0.000 3/31500 570.0 0.714 0.592 0.459 0.000 -0.011 0.000 3/31500 580.0 0.702 0.582 0.451 0.000 -0.010 0.000 3/31500 590.0 0.689 0.572 0.443 0.000 -0.010 0.000 3/31500 600.0 0.678 0.562 0.436 0.000 -0.010 0.000 3/31500 610.0 0.667 0.553 0.429 0.000 -0.010 0.000 3/31500 620.0 0.656 0.544 0.422 0.000 -0.010 0.000 3/31500 630.0 0.645 0.535 0.415 0.000 -0.010 0.000 3/31500 640.0 0.635 0.527 0.408 0.000 -0.009 0.000 3/31500 650.0 0.625 0.519 0.402 0.000 -0.009 0.000 3/31500 660.0 0.616 0.511 0.396 0.000 -0.009 0.000 3/31500 670.0 0.606 0.503 0.390 0.000 -0.009 0.000 3/31500 680.0 0.597 0.496 0.384 0.000 -0.009 0.000 3/31500 690.0 0.588 0.488 0.379 0.000 -0.009 0.000 3/31500 700.0 0.580 0.481 0.373 0.000 -0.009 0.000 3/31500 710.0 0.572 0.474 0.368 0.000 -0.008 0.000 3/31500 720.0 0.564 0.468 0.363 0.000 -0.008 0.000 3/31500 730.0 0.556 0.461 0.358 0.000 -0.008 0.000 3/31500 740.0 0.548 0.455 0.353 0.000 -0.008 0.000 3/31500 750.0 0.541 0.449 0.348 0.000 -0.008 0.000 3/31500 760.0 0.534 0.443 0.344 0.000 -0.008 0.000 3/31500 770.0 0.527 0.437 0.339 0.000 -0.008 0.000 3/31500 780.0 0.520 0.432 0.335 0.000 -0.008 0.000 3/31500 790.0 0.513 0.426 0.331 0.000 -0.008 0.000 3/31500 800.0 0.507 0.421 0.327 0.000 -0.007 0.000 3/31500 810.0 0.501 0.416 0.323 0.000 -0.007 0.000 3/31500 820.0 0.495 0.410 0.319 0.000 -0.007 0.000 3/31500 830.0 0.489 0.405 0.315 0.000 -0.007 0.000 3/31500 840.0 0.483 0.401 0.311 0.000 -0.007 0.000 3/31500 850.0 0.477 0.396 0.307 0.000 -0.007 0.000 3/31500 860.0 0.471 0.391 0.304 0.000 -0.007 0.000 3/31500 870.0 0.466 0.387 0.300 0.000 -0.007 0.000 3/31500 880.0 0.461 0.382 0.297 0.000 -0.007 0.000 3/31500 890.0 0.455 0.378 0.294 0.000 -0.007 0.000 3/31500 900.0 0.450 0.374 0.290 0.000 -0.007 0.000 3/31500 910.0 0.445 0.370 0.287 0.000 -0.007 0.000 3/31500 920.0 0.440 0.366 0.284 0.000 -0.006 0.000 3/31500 930.0 0.436 0.362 0.281 0.000 -0.006 0.000 3/31500 940.0 0.431 0.358 0.278 0.000 -0.006 0.000 3/31500 950.0 0.426 0.354 0.275 0.000 -0.006 0.000 3/31500 960.0 0.422 0.350 0.272 0.000 -0.006 0.000 3/31500 970.0 0.418 0.347 0.269 0.000 -0.006 0.000 3/31500 980.0 0.413 0.343 0.267 0.000 -0.006 0.000 3/31500 990.0 0.409 0.340 0.264 0.000 -0.006 0.000 3/31500 1000.0 0.405 0.336 0.261 0.000 -0.006 0.000 3/31500 Thermal conductivity related properties were written into "kappa-m755.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:11:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|