----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:15:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.618425450000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.120933190000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.026912249999999 Atomic positions (fractional): *1 O 0.10191000076532 0.25000000000000 0.34598925327706 15.999 2 O 0.89808999923468 0.75000000000000 0.65401074672294 15.999 3 O 0.60191000076532 0.25000000000000 0.15401074672294 15.999 4 O 0.39808999923468 0.75000000000000 0.84598925327706 15.999 *5 O 0.04795809409779 0.42078267112729 0.79264687358827 15.999 6 O 0.95204190590221 0.92078267112729 0.20735312641173 15.999 7 O 0.54795809409779 0.42078267112729 0.70735312641173 15.999 8 O 0.45204190590221 0.92078267112729 0.29264687358827 15.999 9 O 0.04795809409779 0.07921732887271 0.79264687358827 15.999 10 O 0.95204190590221 0.57921732887271 0.20735312641173 15.999 11 O 0.54795809409779 0.07921732887271 0.70735312641173 15.999 12 O 0.45204190590221 0.57921732887271 0.29264687358827 15.999 *13 O 0.92008476530123 0.25000000000000 0.56259872059979 15.999 14 O 0.07991523469877 0.75000000000000 0.43740127940021 15.999 15 O 0.42008476530123 0.25000000000000 0.93740127940021 15.999 16 O 0.57991523469877 0.75000000000000 0.06259872059979 15.999 *17 O 0.73359123889992 0.58388531503957 0.99068955224355 15.999 18 O 0.26640876110008 0.08388531503957 0.00931044775645 15.999 19 O 0.23359123889992 0.58388531503957 0.50931044775645 15.999 20 O 0.76640876110008 0.08388531503957 0.49068955224355 15.999 21 O 0.73359123889992 0.91611468496043 0.99068955224355 15.999 22 O 0.26640876110008 0.41611468496042 0.00931044775645 15.999 23 O 0.23359123889992 0.91611468496043 0.50931044775645 15.999 24 O 0.76640876110008 0.41611468496042 0.49068955224355 15.999 *25 O 0.65537372820744 0.75000000000000 0.56371594567826 15.999 26 O 0.34462627179256 0.25000000000000 0.43628405432174 15.999 27 O 0.15537372820744 0.75000000000000 0.93628405432174 15.999 28 O 0.84462627179256 0.25000000000000 0.06371594567826 15.999 *29 Si 0.04167051599776 0.25000000000000 0.62511953211253 28.085 30 Si 0.95832948400224 0.75000000000000 0.37488046788747 28.085 31 Si 0.54167051599776 0.25000000000000 0.87488046788747 28.085 32 Si 0.45832948400224 0.75000000000000 0.12511953211253 28.085 *33 Si 0.81774835374612 0.25000000000000 0.37707225111995 28.085 34 Si 0.18225164625388 0.75000000000000 0.62292774888005 28.085 35 Si 0.31774835374612 0.25000000000000 0.12292774888005 28.085 36 Si 0.68225164625388 0.75000000000000 0.87707225111995 28.085 *37 Y 0.62514377829776 0.51072467778602 0.33806764439894 88.906 38 Y 0.37485622170224 0.01072467778602 0.66193235560106 88.906 39 Y 0.12514377829776 0.51072467778602 0.16193235560106 88.906 40 Y 0.87485622170224 0.01072467778602 0.83806764439894 88.906 41 Y 0.62514377829776 0.98927532221398 0.33806764439894 88.906 42 Y 0.37485622170224 0.48927532221398 0.66193235560106 88.906 43 Y 0.12514377829776 0.98927532221398 0.16193235560106 88.906 44 Y 0.87485622170224 0.48927532221398 0.83806764439894 88.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.618425450000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.120933190000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.026912249999999 Atomic positions (fractional): *1 O 0.10191000076532 0.25000000000000 0.34598925327706 15.999 > 1 2 O 0.89808999923468 0.75000000000000 0.65401074672294 15.999 > 2 3 O 0.60191000076532 0.25000000000000 0.15401074672294 15.999 > 3 4 O 0.39808999923468 0.75000000000000 0.84598925327706 15.999 > 4 *5 O 0.04795809409779 0.42078267112729 0.79264687358827 15.999 > 5 6 O 0.95204190590221 0.92078267112729 0.20735312641173 15.999 > 6 7 O 0.54795809409779 0.42078267112729 0.70735312641173 15.999 > 7 8 O 0.45204190590221 0.92078267112729 0.29264687358827 15.999 > 8 9 O 0.04795809409779 0.07921732887271 0.79264687358827 15.999 > 9 10 O 0.95204190590221 0.57921732887271 0.20735312641173 15.999 > 10 11 O 0.54795809409779 0.07921732887271 0.70735312641173 15.999 > 11 12 O 0.45204190590221 0.57921732887271 0.29264687358827 15.999 > 12 *13 O 0.92008476530123 0.25000000000000 0.56259872059979 15.999 > 13 14 O 0.07991523469877 0.75000000000000 0.43740127940021 15.999 > 14 15 O 0.42008476530123 0.25000000000000 0.93740127940021 15.999 > 15 16 O 0.57991523469877 0.75000000000000 0.06259872059979 15.999 > 16 *17 O 0.73359123889992 0.58388531503957 0.99068955224355 15.999 > 17 18 O 0.26640876110008 0.08388531503957 0.00931044775645 15.999 > 18 19 O 0.23359123889992 0.58388531503957 0.50931044775645 15.999 > 19 20 O 0.76640876110008 0.08388531503957 0.49068955224355 15.999 > 20 21 O 0.73359123889992 0.91611468496043 0.99068955224355 15.999 > 21 22 O 0.26640876110008 0.41611468496042 0.00931044775645 15.999 > 22 23 O 0.23359123889992 0.91611468496043 0.50931044775645 15.999 > 23 24 O 0.76640876110008 0.41611468496042 0.49068955224355 15.999 > 24 *25 O 0.65537372820744 0.75000000000000 0.56371594567826 15.999 > 25 26 O 0.34462627179256 0.25000000000000 0.43628405432174 15.999 > 26 27 O 0.15537372820744 0.75000000000000 0.93628405432174 15.999 > 27 28 O 0.84462627179256 0.25000000000000 0.06371594567826 15.999 > 28 *29 Si 0.04167051599776 0.25000000000000 0.62511953211253 28.085 > 29 30 Si 0.95832948400224 0.75000000000000 0.37488046788747 28.085 > 30 31 Si 0.54167051599776 0.25000000000000 0.87488046788747 28.085 > 31 32 Si 0.45832948400224 0.75000000000000 0.12511953211253 28.085 > 32 *33 Si 0.81774835374612 0.25000000000000 0.37707225111995 28.085 > 33 34 Si 0.18225164625388 0.75000000000000 0.62292774888005 28.085 > 34 35 Si 0.31774835374612 0.25000000000000 0.12292774888005 28.085 > 35 36 Si 0.68225164625388 0.75000000000000 0.87707225111995 28.085 > 36 *37 Y 0.62514377829776 0.51072467778602 0.33806764439894 88.906 > 37 38 Y 0.37485622170224 0.01072467778602 0.66193235560106 88.906 > 38 39 Y 0.12514377829776 0.51072467778602 0.16193235560106 88.906 > 39 40 Y 0.87485622170224 0.01072467778602 0.83806764439894 88.906 > 40 41 Y 0.62514377829776 0.98927532221398 0.33806764439894 88.906 > 41 42 Y 0.37485622170224 0.48927532221398 0.66193235560106 88.906 > 42 43 Y 0.12514377829776 0.98927532221398 0.16193235560106 88.906 > 43 44 Y 0.87485622170224 0.48927532221398 0.83806764439894 88.906 > 44 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.618425450000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.120933190000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.053824499999997 Atomic positions (fractional): *1 O 0.10191000076532 0.25000000000000 0.17299462663853 15.999 > 1 2 O 0.10191000076532 0.25000000000000 0.67299462663853 15.999 > 1 3 O 0.89808999923468 0.75000000000000 0.32700537336147 15.999 > 2 4 O 0.89808999923468 0.75000000000000 0.82700537336147 15.999 > 2 5 O 0.60191000076532 0.25000000000000 0.07700537336147 15.999 > 3 6 O 0.60191000076532 0.25000000000000 0.57700537336147 15.999 > 3 7 O 0.39808999923468 0.75000000000000 0.42299462663853 15.999 > 4 8 O 0.39808999923468 0.75000000000000 0.92299462663853 15.999 > 4 *9 O 0.04795809409779 0.42078267112729 0.39632343679413 15.999 > 5 10 O 0.04795809409779 0.42078267112729 0.89632343679413 15.999 > 5 11 O 0.95204190590221 0.92078267112729 0.10367656320587 15.999 > 6 12 O 0.95204190590221 0.92078267112729 0.60367656320587 15.999 > 6 13 O 0.54795809409779 0.42078267112729 0.35367656320587 15.999 > 7 14 O 0.54795809409779 0.42078267112729 0.85367656320587 15.999 > 7 15 O 0.45204190590221 0.92078267112729 0.14632343679413 15.999 > 8 16 O 0.45204190590221 0.92078267112729 0.64632343679413 15.999 > 8 17 O 0.04795809409779 0.07921732887271 0.39632343679413 15.999 > 9 18 O 0.04795809409779 0.07921732887271 0.89632343679413 15.999 > 9 19 O 0.95204190590221 0.57921732887271 0.10367656320587 15.999 > 10 20 O 0.95204190590221 0.57921732887271 0.60367656320587 15.999 > 10 21 O 0.54795809409779 0.07921732887271 0.35367656320587 15.999 > 11 22 O 0.54795809409779 0.07921732887271 0.85367656320587 15.999 > 11 23 O 0.45204190590221 0.57921732887271 0.14632343679413 15.999 > 12 24 O 0.45204190590221 0.57921732887271 0.64632343679413 15.999 > 12 *25 O 0.92008476530123 0.25000000000000 0.28129936029989 15.999 > 13 26 O 0.92008476530123 0.25000000000000 0.78129936029989 15.999 > 13 27 O 0.07991523469877 0.75000000000000 0.21870063970011 15.999 > 14 28 O 0.07991523469877 0.75000000000000 0.71870063970011 15.999 > 14 29 O 0.42008476530123 0.25000000000000 0.46870063970011 15.999 > 15 30 O 0.42008476530123 0.25000000000000 0.96870063970011 15.999 > 15 31 O 0.57991523469877 0.75000000000000 0.03129936029989 15.999 > 16 32 O 0.57991523469877 0.75000000000000 0.53129936029989 15.999 > 16 *33 O 0.73359123889992 0.58388531503957 0.49534477612178 15.999 > 17 34 O 0.73359123889992 0.58388531503957 0.99534477612178 15.999 > 17 35 O 0.26640876110008 0.08388531503957 0.00465522387822 15.999 > 18 36 O 0.26640876110008 0.08388531503957 0.50465522387822 15.999 > 18 37 O 0.23359123889992 0.58388531503957 0.25465522387822 15.999 > 19 38 O 0.23359123889992 0.58388531503957 0.75465522387822 15.999 > 19 39 O 0.76640876110008 0.08388531503957 0.24534477612178 15.999 > 20 40 O 0.76640876110008 0.08388531503957 0.74534477612178 15.999 > 20 41 O 0.73359123889992 0.91611468496043 0.49534477612178 15.999 > 21 42 O 0.73359123889992 0.91611468496043 0.99534477612178 15.999 > 21 43 O 0.26640876110008 0.41611468496042 0.00465522387822 15.999 > 22 44 O 0.26640876110008 0.41611468496042 0.50465522387822 15.999 > 22 45 O 0.23359123889992 0.91611468496043 0.25465522387822 15.999 > 23 46 O 0.23359123889992 0.91611468496043 0.75465522387822 15.999 > 23 47 O 0.76640876110008 0.41611468496042 0.24534477612178 15.999 > 24 48 O 0.76640876110008 0.41611468496042 0.74534477612178 15.999 > 24 *49 O 0.65537372820744 0.75000000000000 0.28185797283913 15.999 > 25 50 O 0.65537372820744 0.75000000000000 0.78185797283913 15.999 > 25 51 O 0.34462627179256 0.25000000000000 0.21814202716087 15.999 > 26 52 O 0.34462627179256 0.25000000000000 0.71814202716087 15.999 > 26 53 O 0.15537372820744 0.75000000000000 0.46814202716087 15.999 > 27 54 O 0.15537372820744 0.75000000000000 0.96814202716087 15.999 > 27 55 O 0.84462627179256 0.25000000000000 0.03185797283913 15.999 > 28 56 O 0.84462627179256 0.25000000000000 0.53185797283913 15.999 > 28 *57 Si 0.04167051599776 0.25000000000000 0.31255976605626 28.085 > 29 58 Si 0.04167051599776 0.25000000000000 0.81255976605626 28.085 > 29 59 Si 0.95832948400224 0.75000000000000 0.18744023394374 28.085 > 30 60 Si 0.95832948400224 0.75000000000000 0.68744023394374 28.085 > 30 61 Si 0.54167051599776 0.25000000000000 0.43744023394374 28.085 > 31 62 Si 0.54167051599776 0.25000000000000 0.93744023394374 28.085 > 31 63 Si 0.45832948400224 0.75000000000000 0.06255976605626 28.085 > 32 64 Si 0.45832948400224 0.75000000000000 0.56255976605626 28.085 > 32 *65 Si 0.81774835374612 0.25000000000000 0.18853612555997 28.085 > 33 66 Si 0.81774835374612 0.25000000000000 0.68853612555997 28.085 > 33 67 Si 0.18225164625388 0.75000000000000 0.31146387444003 28.085 > 34 68 Si 0.18225164625388 0.75000000000000 0.81146387444003 28.085 > 34 69 Si 0.31774835374612 0.25000000000000 0.06146387444003 28.085 > 35 70 Si 0.31774835374612 0.25000000000000 0.56146387444003 28.085 > 35 71 Si 0.68225164625388 0.75000000000000 0.43853612555997 28.085 > 36 72 Si 0.68225164625388 0.75000000000000 0.93853612555997 28.085 > 36 *73 Y 0.62514377829776 0.51072467778602 0.16903382219947 88.906 > 37 74 Y 0.62514377829776 0.51072467778602 0.66903382219947 88.906 > 37 75 Y 0.37485622170224 0.01072467778602 0.33096617780053 88.906 > 38 76 Y 0.37485622170224 0.01072467778602 0.83096617780053 88.906 > 38 77 Y 0.12514377829776 0.51072467778602 0.08096617780053 88.906 > 39 78 Y 0.12514377829776 0.51072467778602 0.58096617780053 88.906 > 39 79 Y 0.87485622170224 0.01072467778602 0.41903382219947 88.906 > 40 80 Y 0.87485622170224 0.01072467778602 0.91903382219947 88.906 > 40 81 Y 0.62514377829776 0.98927532221398 0.16903382219947 88.906 > 41 82 Y 0.62514377829776 0.98927532221398 0.66903382219947 88.906 > 41 83 Y 0.37485622170224 0.48927532221398 0.33096617780053 88.906 > 42 84 Y 0.37485622170224 0.48927532221398 0.83096617780053 88.906 > 42 85 Y 0.12514377829776 0.98927532221398 0.08096617780053 88.906 > 43 86 Y 0.12514377829776 0.98927532221398 0.58096617780053 88.906 > 43 87 Y 0.87485622170224 0.48927532221398 0.41903382219947 88.906 > 44 88 Y 0.87485622170224 0.48927532221398 0.91903382219947 88.906 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3449755 0.0000000 0.0000000 0.0000000 3.3976023 0.0000000 0.0000000 0.0000000 3.3588104 -------------------------- Born effective charges -------------------------- 1 O -1.4924229 0.0000000 0.6626762 0.0000000 -2.3837459 0.0000000 0.5683120 0.0000000 -2.1781196 2 O -1.4924229 0.0000000 0.6626762 0.0000000 -2.3837459 0.0000000 0.5683120 0.0000000 -2.1781196 3 O -1.4924229 0.0000000 -0.6626762 0.0000000 -2.3837459 0.0000000 -0.5683120 0.0000000 -2.1781196 4 O -1.4924229 0.0000000 -0.6626762 0.0000000 -2.3837459 0.0000000 -0.5683120 0.0000000 -2.1781196 5 O -1.9075736 -0.1683701 -0.3279475 -0.0083197 -1.9814635 -0.6409946 -0.1850881 -0.5568985 -2.0761287 6 O -1.9075736 0.1683701 -0.3279475 0.0083197 -1.9814635 0.6409946 -0.1850881 0.5568985 -2.0761287 7 O -1.9075736 -0.1683701 0.3279475 -0.0083197 -1.9814635 0.6409946 0.1850881 0.5568985 -2.0761287 8 O -1.9075736 0.1683701 0.3279475 0.0083197 -1.9814635 -0.6409946 0.1850881 -0.5568985 -2.0761287 9 O -1.9075736 0.1683701 -0.3279475 0.0083197 -1.9814635 0.6409946 -0.1850881 0.5568985 -2.0761287 10 O -1.9075736 -0.1683701 -0.3279475 -0.0083197 -1.9814635 -0.6409946 -0.1850881 -0.5568985 -2.0761287 11 O -1.9075736 0.1683701 0.3279475 0.0083197 -1.9814635 -0.6409946 0.1850881 -0.5568985 -2.0761287 12 O -1.9075736 -0.1683701 0.3279475 -0.0083197 -1.9814635 0.6409946 0.1850881 0.5568985 -2.0761287 13 O -2.7370129 0.0000000 -0.4607073 0.0000000 -1.6925825 0.0000000 -0.5632854 0.0000000 -1.7432634 14 O -2.7370129 0.0000000 -0.4607073 0.0000000 -1.6925825 0.0000000 -0.5632854 0.0000000 -1.7432634 15 O -2.7370129 0.0000000 0.4607073 0.0000000 -1.6925825 0.0000000 0.5632854 0.0000000 -1.7432634 16 O -2.7370129 0.0000000 0.4607073 0.0000000 -1.6925825 0.0000000 0.5632854 0.0000000 -1.7432634 17 O -2.3259580 0.4919222 0.4065866 0.4927647 -1.9194376 0.3037226 0.5036971 0.2345664 -1.7721832 18 O -2.3259580 -0.4919222 0.4065866 -0.4927647 -1.9194376 -0.3037226 0.5036971 -0.2345664 -1.7721832 19 O -2.3259580 0.4919222 -0.4065866 0.4927647 -1.9194376 -0.3037226 -0.5036971 -0.2345664 -1.7721832 20 O -2.3259580 -0.4919222 -0.4065866 -0.4927647 -1.9194376 0.3037226 -0.5036971 0.2345664 -1.7721832 21 O -2.3259580 -0.4919222 0.4065866 -0.4927647 -1.9194376 -0.3037226 0.5036971 -0.2345664 -1.7721832 22 O -2.3259580 0.4919222 0.4065866 0.4927647 -1.9194376 0.3037226 0.5036971 0.2345664 -1.7721832 23 O -2.3259580 -0.4919222 -0.4065866 -0.4927647 -1.9194376 0.3037226 -0.5036971 0.2345664 -1.7721832 24 O -2.3259580 0.4919222 -0.4065866 0.4927647 -1.9194376 -0.3037226 -0.5036971 -0.2345664 -1.7721832 25 O -1.2525877 0.0000000 -0.3885041 0.0000000 -2.3369840 0.0000000 -0.4424042 0.0000000 -2.4980289 26 O -1.2525877 0.0000000 -0.3885041 0.0000000 -2.3369840 0.0000000 -0.4424042 0.0000000 -2.4980289 27 O -1.2525877 0.0000000 0.3885041 0.0000000 -2.3369840 0.0000000 0.4424042 0.0000000 -2.4980289 28 O -1.2525877 0.0000000 0.3885041 0.0000000 -2.3369840 0.0000000 0.4424042 0.0000000 -2.4980289 29 Si 3.0642556 0.0000000 -0.2847026 0.0000000 3.1733405 0.0000000 -0.2694302 0.0000000 3.1860354 30 Si 3.0642556 0.0000000 -0.2847026 0.0000000 3.1733405 0.0000000 -0.2694302 0.0000000 3.1860354 31 Si 3.0642556 0.0000000 0.2847026 0.0000000 3.1733405 0.0000000 0.2694302 0.0000000 3.1860354 32 Si 3.0642556 0.0000000 0.2847026 0.0000000 3.1733405 0.0000000 0.2694302 0.0000000 3.1860354 33 Si 3.0571914 0.0000000 -0.1037383 0.0000000 3.1772448 0.0000000 0.1199361 0.0000000 3.3869526 34 Si 3.0571914 0.0000000 -0.1037383 0.0000000 3.1772448 0.0000000 0.1199361 0.0000000 3.3869526 35 Si 3.0571914 0.0000000 0.1037383 0.0000000 3.1772448 0.0000000 -0.1199361 0.0000000 3.3869526 36 Si 3.0571914 0.0000000 0.1037383 0.0000000 3.1772448 0.0000000 -0.1199361 0.0000000 3.3869526 37 Y 3.9138199 0.0334874 -0.1337357 -0.1078097 3.9322646 -0.1860713 -0.0965643 0.0595267 3.7715237 38 Y 3.9138199 -0.0334874 -0.1337357 0.1078097 3.9322646 0.1860713 -0.0965643 -0.0595267 3.7715237 39 Y 3.9138199 0.0334874 0.1337357 -0.1078097 3.9322646 0.1860713 0.0965643 -0.0595267 3.7715237 40 Y 3.9138199 -0.0334874 0.1337357 0.1078097 3.9322646 -0.1860713 0.0965643 0.0595267 3.7715237 41 Y 3.9138199 -0.0334874 -0.1337357 0.1078097 3.9322646 0.1860713 -0.0965643 -0.0595267 3.7715237 42 Y 3.9138199 0.0334874 -0.1337357 -0.1078097 3.9322646 -0.1860713 -0.0965643 0.0595267 3.7715237 43 Y 3.9138199 -0.0334874 0.1337357 0.1078097 3.9322646 -0.1860713 0.0965643 0.0595267 3.7715237 44 Y 3.9138199 0.0334874 0.1337357 -0.1078097 3.9322646 0.1860713 0.0965643 -0.0595267 3.7715237 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2327 Number of blocks in projector: 2327 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: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 234 eigenvectors found. (2) Block: 500 / 584 (2) 236 eigenvectors found. (2) Block: 584 / 584 (2) 75 eigenvectors found. (2) Complementary block size: 39 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 568 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 325 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 325 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 325 Use standard eigh solver. Tree of FC basis block matrices: - (2327, 2275), data: False |-- (325, 317), data: True |-- (325, 317), data: True |-- (325, 317), data: True |-- (384, 378), data: True |-- (384, 378), data: True |-- (584, 568), data: False |-- (584, 568), data: False |-- (584, 23), data: (584, 39) @ (39, 23) |-- (84, 75), data: True |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.567 Solver_block: 200 / 720 - Time: 0.449 Solver_block: 300 / 720 - Time: 0.452 Solver_block: 400 / 720 - Time: 0.450 Solver_block: 500 / 720 - Time: 0.451 Solver_block: 600 / 720 - Time: 0.451 Solver_block: 700 / 720 - Time: 0.449 Solver_block: 720 / 720 - Time: 0.170 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.527 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2327 Number of blocks in projector: 2327 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: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 234 eigenvectors found. (2) Block: 500 / 584 (2) 236 eigenvectors found. (2) Block: 584 / 584 (2) 75 eigenvectors found. (2) Complementary block size: 39 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 568 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 325 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 325 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 325 Use standard eigh solver. Tree of FC basis block matrices: - (2327, 2275), data: False |-- (325, 317), data: True |-- (325, 317), data: True |-- (325, 317), data: True |-- (384, 378), data: True |-- (384, 378), data: True |-- (584, 568), data: False |-- (584, 568), data: False |-- (584, 23), data: (584, 39) @ (39, 23) |-- (84, 75), data: True |-- (250, 236), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:16:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:16:02]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.618425450000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.120933190000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.026912249999999 Atomic positions (fractional): 1 O 0.10191000076532 0.25000000000000 0.34598925327706 15.999 2 O 0.89808999923468 0.75000000000000 0.65401074672294 15.999 3 O 0.60191000076532 0.25000000000000 0.15401074672294 15.999 4 O 0.39808999923468 0.75000000000000 0.84598925327706 15.999 5 O 0.04795809409779 0.42078267112729 0.79264687358827 15.999 6 O 0.95204190590221 0.92078267112729 0.20735312641173 15.999 7 O 0.54795809409779 0.42078267112729 0.70735312641173 15.999 8 O 0.45204190590221 0.92078267112729 0.29264687358827 15.999 9 O 0.04795809409779 0.07921732887271 0.79264687358827 15.999 10 O 0.95204190590221 0.57921732887271 0.20735312641173 15.999 11 O 0.54795809409779 0.07921732887271 0.70735312641173 15.999 12 O 0.45204190590221 0.57921732887271 0.29264687358827 15.999 13 O 0.92008476530123 0.25000000000000 0.56259872059979 15.999 14 O 0.07991523469877 0.75000000000000 0.43740127940021 15.999 15 O 0.42008476530123 0.25000000000000 0.93740127940021 15.999 16 O 0.57991523469877 0.75000000000000 0.06259872059979 15.999 17 O 0.73359123889992 0.58388531503957 0.99068955224355 15.999 18 O 0.26640876110008 0.08388531503957 0.00931044775645 15.999 19 O 0.23359123889992 0.58388531503957 0.50931044775645 15.999 20 O 0.76640876110008 0.08388531503957 0.49068955224355 15.999 21 O 0.73359123889992 0.91611468496043 0.99068955224355 15.999 22 O 0.26640876110008 0.41611468496042 0.00931044775645 15.999 23 O 0.23359123889992 0.91611468496043 0.50931044775645 15.999 24 O 0.76640876110008 0.41611468496042 0.49068955224355 15.999 25 O 0.65537372820744 0.75000000000000 0.56371594567826 15.999 26 O 0.34462627179256 0.25000000000000 0.43628405432174 15.999 27 O 0.15537372820744 0.75000000000000 0.93628405432174 15.999 28 O 0.84462627179256 0.25000000000000 0.06371594567826 15.999 29 Si 0.04167051599776 0.25000000000000 0.62511953211253 28.085 30 Si 0.95832948400224 0.75000000000000 0.37488046788747 28.085 31 Si 0.54167051599776 0.25000000000000 0.87488046788747 28.085 32 Si 0.45832948400224 0.75000000000000 0.12511953211253 28.085 33 Si 0.81774835374612 0.25000000000000 0.37707225111995 28.085 34 Si 0.18225164625388 0.75000000000000 0.62292774888005 28.085 35 Si 0.31774835374612 0.25000000000000 0.12292774888005 28.085 36 Si 0.68225164625388 0.75000000000000 0.87707225111995 28.085 37 Y 0.62514377829776 0.51072467778602 0.33806764439894 88.906 38 Y 0.37485622170224 0.01072467778602 0.66193235560106 88.906 39 Y 0.12514377829776 0.51072467778602 0.16193235560106 88.906 40 Y 0.87485622170224 0.01072467778602 0.83806764439894 88.906 41 Y 0.62514377829776 0.98927532221398 0.33806764439894 88.906 42 Y 0.37485622170224 0.48927532221398 0.66193235560106 88.906 43 Y 0.12514377829776 0.98927532221398 0.16193235560106 88.906 44 Y 0.87485622170224 0.48927532221398 0.83806764439894 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.618425450000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.120933190000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.053824499999997 Atomic positions (fractional): 1 O 0.10191000076532 0.25000000000000 0.17299462663853 15.999 > 1 2 O 0.10191000076532 0.25000000000000 0.67299462663853 15.999 > 1 3 O 0.89808999923468 0.75000000000000 0.32700537336147 15.999 > 3 4 O 0.89808999923468 0.75000000000000 0.82700537336147 15.999 > 3 5 O 0.60191000076532 0.25000000000000 0.07700537336147 15.999 > 5 6 O 0.60191000076532 0.25000000000000 0.57700537336147 15.999 > 5 7 O 0.39808999923468 0.75000000000000 0.42299462663853 15.999 > 7 8 O 0.39808999923468 0.75000000000000 0.92299462663853 15.999 > 7 9 O 0.04795809409779 0.42078267112729 0.39632343679413 15.999 > 9 10 O 0.04795809409779 0.42078267112729 0.89632343679413 15.999 > 9 11 O 0.95204190590221 0.92078267112729 0.10367656320587 15.999 > 11 12 O 0.95204190590221 0.92078267112729 0.60367656320587 15.999 > 11 13 O 0.54795809409779 0.42078267112729 0.35367656320587 15.999 > 13 14 O 0.54795809409779 0.42078267112729 0.85367656320587 15.999 > 13 15 O 0.45204190590221 0.92078267112729 0.14632343679413 15.999 > 15 16 O 0.45204190590221 0.92078267112729 0.64632343679413 15.999 > 15 17 O 0.04795809409779 0.07921732887271 0.39632343679413 15.999 > 17 18 O 0.04795809409779 0.07921732887271 0.89632343679413 15.999 > 17 19 O 0.95204190590221 0.57921732887271 0.10367656320587 15.999 > 19 20 O 0.95204190590221 0.57921732887271 0.60367656320587 15.999 > 19 21 O 0.54795809409779 0.07921732887271 0.35367656320587 15.999 > 21 22 O 0.54795809409779 0.07921732887271 0.85367656320587 15.999 > 21 23 O 0.45204190590221 0.57921732887271 0.14632343679413 15.999 > 23 24 O 0.45204190590221 0.57921732887271 0.64632343679413 15.999 > 23 25 O 0.92008476530123 0.25000000000000 0.28129936029989 15.999 > 25 26 O 0.92008476530123 0.25000000000000 0.78129936029989 15.999 > 25 27 O 0.07991523469877 0.75000000000000 0.21870063970011 15.999 > 27 28 O 0.07991523469877 0.75000000000000 0.71870063970011 15.999 > 27 29 O 0.42008476530123 0.25000000000000 0.46870063970011 15.999 > 29 30 O 0.42008476530123 0.25000000000000 0.96870063970011 15.999 > 29 31 O 0.57991523469877 0.75000000000000 0.03129936029989 15.999 > 31 32 O 0.57991523469877 0.75000000000000 0.53129936029989 15.999 > 31 33 O 0.73359123889992 0.58388531503957 0.49534477612178 15.999 > 33 34 O 0.73359123889992 0.58388531503957 0.99534477612178 15.999 > 33 35 O 0.26640876110008 0.08388531503957 0.00465522387822 15.999 > 35 36 O 0.26640876110008 0.08388531503957 0.50465522387822 15.999 > 35 37 O 0.23359123889992 0.58388531503957 0.25465522387822 15.999 > 37 38 O 0.23359123889992 0.58388531503957 0.75465522387822 15.999 > 37 39 O 0.76640876110008 0.08388531503957 0.24534477612178 15.999 > 39 40 O 0.76640876110008 0.08388531503957 0.74534477612178 15.999 > 39 41 O 0.73359123889992 0.91611468496043 0.49534477612178 15.999 > 41 42 O 0.73359123889992 0.91611468496043 0.99534477612178 15.999 > 41 43 O 0.26640876110008 0.41611468496042 0.00465522387822 15.999 > 43 44 O 0.26640876110008 0.41611468496042 0.50465522387822 15.999 > 43 45 O 0.23359123889992 0.91611468496043 0.25465522387822 15.999 > 45 46 O 0.23359123889992 0.91611468496043 0.75465522387822 15.999 > 45 47 O 0.76640876110008 0.41611468496042 0.24534477612178 15.999 > 47 48 O 0.76640876110008 0.41611468496042 0.74534477612178 15.999 > 47 49 O 0.65537372820744 0.75000000000000 0.28185797283913 15.999 > 49 50 O 0.65537372820744 0.75000000000000 0.78185797283913 15.999 > 49 51 O 0.34462627179256 0.25000000000000 0.21814202716087 15.999 > 51 52 O 0.34462627179256 0.25000000000000 0.71814202716087 15.999 > 51 53 O 0.15537372820744 0.75000000000000 0.46814202716087 15.999 > 53 54 O 0.15537372820744 0.75000000000000 0.96814202716087 15.999 > 53 55 O 0.84462627179256 0.25000000000000 0.03185797283913 15.999 > 55 56 O 0.84462627179256 0.25000000000000 0.53185797283913 15.999 > 55 57 Si 0.04167051599776 0.25000000000000 0.31255976605626 28.085 > 57 58 Si 0.04167051599776 0.25000000000000 0.81255976605626 28.085 > 57 59 Si 0.95832948400224 0.75000000000000 0.18744023394374 28.085 > 59 60 Si 0.95832948400224 0.75000000000000 0.68744023394374 28.085 > 59 61 Si 0.54167051599776 0.25000000000000 0.43744023394374 28.085 > 61 62 Si 0.54167051599776 0.25000000000000 0.93744023394374 28.085 > 61 63 Si 0.45832948400224 0.75000000000000 0.06255976605626 28.085 > 63 64 Si 0.45832948400224 0.75000000000000 0.56255976605626 28.085 > 63 65 Si 0.81774835374612 0.25000000000000 0.18853612555997 28.085 > 65 66 Si 0.81774835374612 0.25000000000000 0.68853612555997 28.085 > 65 67 Si 0.18225164625388 0.75000000000000 0.31146387444003 28.085 > 67 68 Si 0.18225164625388 0.75000000000000 0.81146387444003 28.085 > 67 69 Si 0.31774835374612 0.25000000000000 0.06146387444003 28.085 > 69 70 Si 0.31774835374612 0.25000000000000 0.56146387444003 28.085 > 69 71 Si 0.68225164625388 0.75000000000000 0.43853612555997 28.085 > 71 72 Si 0.68225164625388 0.75000000000000 0.93853612555997 28.085 > 71 73 Y 0.62514377829776 0.51072467778602 0.16903382219947 88.906 > 73 74 Y 0.62514377829776 0.51072467778602 0.66903382219947 88.906 > 73 75 Y 0.37485622170224 0.01072467778602 0.33096617780053 88.906 > 75 76 Y 0.37485622170224 0.01072467778602 0.83096617780053 88.906 > 75 77 Y 0.12514377829776 0.51072467778602 0.08096617780053 88.906 > 77 78 Y 0.12514377829776 0.51072467778602 0.58096617780053 88.906 > 77 79 Y 0.87485622170224 0.01072467778602 0.41903382219947 88.906 > 79 80 Y 0.87485622170224 0.01072467778602 0.91903382219947 88.906 > 79 81 Y 0.62514377829776 0.98927532221398 0.16903382219947 88.906 > 81 82 Y 0.62514377829776 0.98927532221398 0.66903382219947 88.906 > 81 83 Y 0.37485622170224 0.48927532221398 0.33096617780053 88.906 > 83 84 Y 0.37485622170224 0.48927532221398 0.83096617780053 88.906 > 83 85 Y 0.12514377829776 0.98927532221398 0.08096617780053 88.906 > 85 86 Y 0.12514377829776 0.98927532221398 0.58096617780053 88.906 > 85 87 Y 0.87485622170224 0.48927532221398 0.41903382219947 88.906 > 87 88 Y 0.87485622170224 0.48927532221398 0.91903382219947 88.906 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3449755 0.0000000 0.0000000 0.0000000 3.3976023 0.0000000 0.0000000 0.0000000 3.3588104 -------------------------- Born effective charges -------------------------- 1 O -1.4924229 0.0000000 0.6626762 0.0000000 -2.3837459 0.0000000 0.5683120 0.0000000 -2.1781196 2 O -1.4924229 0.0000000 0.6626762 0.0000000 -2.3837459 0.0000000 0.5683120 0.0000000 -2.1781196 3 O -1.4924229 0.0000000 -0.6626762 0.0000000 -2.3837459 0.0000000 -0.5683120 0.0000000 -2.1781196 4 O -1.4924229 0.0000000 -0.6626762 0.0000000 -2.3837459 0.0000000 -0.5683120 0.0000000 -2.1781196 5 O -1.9075736 -0.1683701 -0.3279475 -0.0083197 -1.9814635 -0.6409946 -0.1850881 -0.5568985 -2.0761287 6 O -1.9075736 0.1683701 -0.3279475 0.0083197 -1.9814635 0.6409946 -0.1850881 0.5568985 -2.0761287 7 O -1.9075736 -0.1683701 0.3279475 -0.0083197 -1.9814635 0.6409946 0.1850881 0.5568985 -2.0761287 8 O -1.9075736 0.1683701 0.3279475 0.0083197 -1.9814635 -0.6409946 0.1850881 -0.5568985 -2.0761287 9 O -1.9075736 0.1683701 -0.3279475 0.0083197 -1.9814635 0.6409946 -0.1850881 0.5568985 -2.0761287 10 O -1.9075736 -0.1683701 -0.3279475 -0.0083197 -1.9814635 -0.6409946 -0.1850881 -0.5568985 -2.0761287 11 O -1.9075736 0.1683701 0.3279475 0.0083197 -1.9814635 -0.6409946 0.1850881 -0.5568985 -2.0761287 12 O -1.9075736 -0.1683701 0.3279475 -0.0083197 -1.9814635 0.6409946 0.1850881 0.5568985 -2.0761287 13 O -2.7370129 0.0000000 -0.4607073 0.0000000 -1.6925825 0.0000000 -0.5632854 0.0000000 -1.7432634 14 O -2.7370129 0.0000000 -0.4607073 0.0000000 -1.6925825 0.0000000 -0.5632854 0.0000000 -1.7432634 15 O -2.7370129 0.0000000 0.4607073 0.0000000 -1.6925825 0.0000000 0.5632854 0.0000000 -1.7432634 16 O -2.7370129 0.0000000 0.4607073 0.0000000 -1.6925825 0.0000000 0.5632854 0.0000000 -1.7432634 17 O -2.3259580 0.4919222 0.4065866 0.4927647 -1.9194376 0.3037226 0.5036971 0.2345664 -1.7721832 18 O -2.3259580 -0.4919222 0.4065866 -0.4927647 -1.9194376 -0.3037226 0.5036971 -0.2345664 -1.7721832 19 O -2.3259580 0.4919222 -0.4065866 0.4927647 -1.9194376 -0.3037226 -0.5036971 -0.2345664 -1.7721832 20 O -2.3259580 -0.4919222 -0.4065866 -0.4927647 -1.9194376 0.3037226 -0.5036971 0.2345664 -1.7721832 21 O -2.3259580 -0.4919222 0.4065866 -0.4927647 -1.9194376 -0.3037226 0.5036971 -0.2345664 -1.7721832 22 O -2.3259580 0.4919222 0.4065866 0.4927647 -1.9194376 0.3037226 0.5036971 0.2345664 -1.7721832 23 O -2.3259580 -0.4919222 -0.4065866 -0.4927647 -1.9194376 0.3037226 -0.5036971 0.2345664 -1.7721832 24 O -2.3259580 0.4919222 -0.4065866 0.4927647 -1.9194376 -0.3037226 -0.5036971 -0.2345664 -1.7721832 25 O -1.2525877 0.0000000 -0.3885041 0.0000000 -2.3369840 0.0000000 -0.4424042 0.0000000 -2.4980289 26 O -1.2525877 0.0000000 -0.3885041 0.0000000 -2.3369840 0.0000000 -0.4424042 0.0000000 -2.4980289 27 O -1.2525877 0.0000000 0.3885041 0.0000000 -2.3369840 0.0000000 0.4424042 0.0000000 -2.4980289 28 O -1.2525877 0.0000000 0.3885041 0.0000000 -2.3369840 0.0000000 0.4424042 0.0000000 -2.4980289 29 Si 3.0642556 0.0000000 -0.2847026 0.0000000 3.1733405 0.0000000 -0.2694302 0.0000000 3.1860354 30 Si 3.0642556 0.0000000 -0.2847026 0.0000000 3.1733405 0.0000000 -0.2694302 0.0000000 3.1860354 31 Si 3.0642556 0.0000000 0.2847026 0.0000000 3.1733405 0.0000000 0.2694302 0.0000000 3.1860354 32 Si 3.0642556 0.0000000 0.2847026 0.0000000 3.1733405 0.0000000 0.2694302 0.0000000 3.1860354 33 Si 3.0571914 0.0000000 -0.1037383 0.0000000 3.1772448 0.0000000 0.1199361 0.0000000 3.3869526 34 Si 3.0571914 0.0000000 -0.1037383 0.0000000 3.1772448 0.0000000 0.1199361 0.0000000 3.3869526 35 Si 3.0571914 0.0000000 0.1037383 0.0000000 3.1772448 0.0000000 -0.1199361 0.0000000 3.3869526 36 Si 3.0571914 0.0000000 0.1037383 0.0000000 3.1772448 0.0000000 -0.1199361 0.0000000 3.3869526 37 Y 3.9138199 0.0334874 -0.1337357 -0.1078097 3.9322646 -0.1860713 -0.0965643 0.0595267 3.7715237 38 Y 3.9138199 -0.0334874 -0.1337357 0.1078097 3.9322646 0.1860713 -0.0965643 -0.0595267 3.7715237 39 Y 3.9138199 0.0334874 0.1337357 -0.1078097 3.9322646 0.1860713 0.0965643 -0.0595267 3.7715237 40 Y 3.9138199 -0.0334874 0.1337357 0.1078097 3.9322646 -0.1860713 0.0965643 0.0595267 3.7715237 41 Y 3.9138199 -0.0334874 -0.1337357 0.1078097 3.9322646 0.1860713 -0.0965643 -0.0595267 3.7715237 42 Y 3.9138199 0.0334874 -0.1337357 -0.1078097 3.9322646 -0.1860713 -0.0965643 0.0595267 3.7715237 43 Y 3.9138199 -0.0334874 0.1337357 0.1078097 3.9322646 -0.1860713 0.0965643 0.0595267 3.7715237 44 Y 3.9138199 0.0334874 0.1337357 -0.1078097 3.9322646 0.1860713 0.0965643 -0.0595267 3.7715237 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yzy) 0.00000001 (yzy) 0.00000001 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:16:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:16:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.618425450000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.120933190000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.026912249999999 Atomic positions (fractional): 1 O 0.10191000076532 0.25000000000000 0.34598925327706 15.999 2 O 0.89808999923468 0.75000000000000 0.65401074672294 15.999 3 O 0.60191000076532 0.25000000000000 0.15401074672294 15.999 4 O 0.39808999923468 0.75000000000000 0.84598925327706 15.999 5 O 0.04795809409779 0.42078267112729 0.79264687358827 15.999 6 O 0.95204190590221 0.92078267112729 0.20735312641173 15.999 7 O 0.54795809409779 0.42078267112729 0.70735312641173 15.999 8 O 0.45204190590221 0.92078267112729 0.29264687358827 15.999 9 O 0.04795809409779 0.07921732887271 0.79264687358827 15.999 10 O 0.95204190590221 0.57921732887271 0.20735312641173 15.999 11 O 0.54795809409779 0.07921732887271 0.70735312641173 15.999 12 O 0.45204190590221 0.57921732887271 0.29264687358827 15.999 13 O 0.92008476530123 0.25000000000000 0.56259872059979 15.999 14 O 0.07991523469877 0.75000000000000 0.43740127940021 15.999 15 O 0.42008476530123 0.25000000000000 0.93740127940021 15.999 16 O 0.57991523469877 0.75000000000000 0.06259872059979 15.999 17 O 0.73359123889992 0.58388531503957 0.99068955224355 15.999 18 O 0.26640876110008 0.08388531503957 0.00931044775645 15.999 19 O 0.23359123889992 0.58388531503957 0.50931044775645 15.999 20 O 0.76640876110008 0.08388531503957 0.49068955224355 15.999 21 O 0.73359123889992 0.91611468496043 0.99068955224355 15.999 22 O 0.26640876110008 0.41611468496042 0.00931044775645 15.999 23 O 0.23359123889992 0.91611468496043 0.50931044775645 15.999 24 O 0.76640876110008 0.41611468496042 0.49068955224355 15.999 25 O 0.65537372820744 0.75000000000000 0.56371594567826 15.999 26 O 0.34462627179256 0.25000000000000 0.43628405432174 15.999 27 O 0.15537372820744 0.75000000000000 0.93628405432174 15.999 28 O 0.84462627179256 0.25000000000000 0.06371594567826 15.999 29 Si 0.04167051599776 0.25000000000000 0.62511953211253 28.085 30 Si 0.95832948400224 0.75000000000000 0.37488046788747 28.085 31 Si 0.54167051599776 0.25000000000000 0.87488046788747 28.085 32 Si 0.45832948400224 0.75000000000000 0.12511953211253 28.085 33 Si 0.81774835374612 0.25000000000000 0.37707225111995 28.085 34 Si 0.18225164625388 0.75000000000000 0.62292774888005 28.085 35 Si 0.31774835374612 0.25000000000000 0.12292774888005 28.085 36 Si 0.68225164625388 0.75000000000000 0.87707225111995 28.085 37 Y 0.62514377829776 0.51072467778602 0.33806764439894 88.906 38 Y 0.37485622170224 0.01072467778602 0.66193235560106 88.906 39 Y 0.12514377829776 0.51072467778602 0.16193235560106 88.906 40 Y 0.87485622170224 0.01072467778602 0.83806764439894 88.906 41 Y 0.62514377829776 0.98927532221398 0.33806764439894 88.906 42 Y 0.37485622170224 0.48927532221398 0.66193235560106 88.906 43 Y 0.12514377829776 0.98927532221398 0.16193235560106 88.906 44 Y 0.87485622170224 0.48927532221398 0.83806764439894 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.618425450000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.120933190000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.053824499999997 Atomic positions (fractional): 1 O 0.10191000076532 0.25000000000000 0.17299462663853 15.999 > 1 2 O 0.10191000076532 0.25000000000000 0.67299462663853 15.999 > 1 3 O 0.89808999923468 0.75000000000000 0.32700537336147 15.999 > 3 4 O 0.89808999923468 0.75000000000000 0.82700537336147 15.999 > 3 5 O 0.60191000076532 0.25000000000000 0.07700537336147 15.999 > 5 6 O 0.60191000076532 0.25000000000000 0.57700537336147 15.999 > 5 7 O 0.39808999923468 0.75000000000000 0.42299462663853 15.999 > 7 8 O 0.39808999923468 0.75000000000000 0.92299462663853 15.999 > 7 9 O 0.04795809409779 0.42078267112729 0.39632343679413 15.999 > 9 10 O 0.04795809409779 0.42078267112729 0.89632343679413 15.999 > 9 11 O 0.95204190590221 0.92078267112729 0.10367656320587 15.999 > 11 12 O 0.95204190590221 0.92078267112729 0.60367656320587 15.999 > 11 13 O 0.54795809409779 0.42078267112729 0.35367656320587 15.999 > 13 14 O 0.54795809409779 0.42078267112729 0.85367656320587 15.999 > 13 15 O 0.45204190590221 0.92078267112729 0.14632343679413 15.999 > 15 16 O 0.45204190590221 0.92078267112729 0.64632343679413 15.999 > 15 17 O 0.04795809409779 0.07921732887271 0.39632343679413 15.999 > 17 18 O 0.04795809409779 0.07921732887271 0.89632343679413 15.999 > 17 19 O 0.95204190590221 0.57921732887271 0.10367656320587 15.999 > 19 20 O 0.95204190590221 0.57921732887271 0.60367656320587 15.999 > 19 21 O 0.54795809409779 0.07921732887271 0.35367656320587 15.999 > 21 22 O 0.54795809409779 0.07921732887271 0.85367656320587 15.999 > 21 23 O 0.45204190590221 0.57921732887271 0.14632343679413 15.999 > 23 24 O 0.45204190590221 0.57921732887271 0.64632343679413 15.999 > 23 25 O 0.92008476530123 0.25000000000000 0.28129936029989 15.999 > 25 26 O 0.92008476530123 0.25000000000000 0.78129936029989 15.999 > 25 27 O 0.07991523469877 0.75000000000000 0.21870063970011 15.999 > 27 28 O 0.07991523469877 0.75000000000000 0.71870063970011 15.999 > 27 29 O 0.42008476530123 0.25000000000000 0.46870063970011 15.999 > 29 30 O 0.42008476530123 0.25000000000000 0.96870063970011 15.999 > 29 31 O 0.57991523469877 0.75000000000000 0.03129936029989 15.999 > 31 32 O 0.57991523469877 0.75000000000000 0.53129936029989 15.999 > 31 33 O 0.73359123889992 0.58388531503957 0.49534477612178 15.999 > 33 34 O 0.73359123889992 0.58388531503957 0.99534477612178 15.999 > 33 35 O 0.26640876110008 0.08388531503957 0.00465522387822 15.999 > 35 36 O 0.26640876110008 0.08388531503957 0.50465522387822 15.999 > 35 37 O 0.23359123889992 0.58388531503957 0.25465522387822 15.999 > 37 38 O 0.23359123889992 0.58388531503957 0.75465522387822 15.999 > 37 39 O 0.76640876110008 0.08388531503957 0.24534477612178 15.999 > 39 40 O 0.76640876110008 0.08388531503957 0.74534477612178 15.999 > 39 41 O 0.73359123889992 0.91611468496043 0.49534477612178 15.999 > 41 42 O 0.73359123889992 0.91611468496043 0.99534477612178 15.999 > 41 43 O 0.26640876110008 0.41611468496042 0.00465522387822 15.999 > 43 44 O 0.26640876110008 0.41611468496042 0.50465522387822 15.999 > 43 45 O 0.23359123889992 0.91611468496043 0.25465522387822 15.999 > 45 46 O 0.23359123889992 0.91611468496043 0.75465522387822 15.999 > 45 47 O 0.76640876110008 0.41611468496042 0.24534477612178 15.999 > 47 48 O 0.76640876110008 0.41611468496042 0.74534477612178 15.999 > 47 49 O 0.65537372820744 0.75000000000000 0.28185797283913 15.999 > 49 50 O 0.65537372820744 0.75000000000000 0.78185797283913 15.999 > 49 51 O 0.34462627179256 0.25000000000000 0.21814202716087 15.999 > 51 52 O 0.34462627179256 0.25000000000000 0.71814202716087 15.999 > 51 53 O 0.15537372820744 0.75000000000000 0.46814202716087 15.999 > 53 54 O 0.15537372820744 0.75000000000000 0.96814202716087 15.999 > 53 55 O 0.84462627179256 0.25000000000000 0.03185797283913 15.999 > 55 56 O 0.84462627179256 0.25000000000000 0.53185797283913 15.999 > 55 57 Si 0.04167051599776 0.25000000000000 0.31255976605626 28.085 > 57 58 Si 0.04167051599776 0.25000000000000 0.81255976605626 28.085 > 57 59 Si 0.95832948400224 0.75000000000000 0.18744023394374 28.085 > 59 60 Si 0.95832948400224 0.75000000000000 0.68744023394374 28.085 > 59 61 Si 0.54167051599776 0.25000000000000 0.43744023394374 28.085 > 61 62 Si 0.54167051599776 0.25000000000000 0.93744023394374 28.085 > 61 63 Si 0.45832948400224 0.75000000000000 0.06255976605626 28.085 > 63 64 Si 0.45832948400224 0.75000000000000 0.56255976605626 28.085 > 63 65 Si 0.81774835374612 0.25000000000000 0.18853612555997 28.085 > 65 66 Si 0.81774835374612 0.25000000000000 0.68853612555997 28.085 > 65 67 Si 0.18225164625388 0.75000000000000 0.31146387444003 28.085 > 67 68 Si 0.18225164625388 0.75000000000000 0.81146387444003 28.085 > 67 69 Si 0.31774835374612 0.25000000000000 0.06146387444003 28.085 > 69 70 Si 0.31774835374612 0.25000000000000 0.56146387444003 28.085 > 69 71 Si 0.68225164625388 0.75000000000000 0.43853612555997 28.085 > 71 72 Si 0.68225164625388 0.75000000000000 0.93853612555997 28.085 > 71 73 Y 0.62514377829776 0.51072467778602 0.16903382219947 88.906 > 73 74 Y 0.62514377829776 0.51072467778602 0.66903382219947 88.906 > 73 75 Y 0.37485622170224 0.01072467778602 0.33096617780053 88.906 > 75 76 Y 0.37485622170224 0.01072467778602 0.83096617780053 88.906 > 75 77 Y 0.12514377829776 0.51072467778602 0.08096617780053 88.906 > 77 78 Y 0.12514377829776 0.51072467778602 0.58096617780053 88.906 > 77 79 Y 0.87485622170224 0.01072467778602 0.41903382219947 88.906 > 79 80 Y 0.87485622170224 0.01072467778602 0.91903382219947 88.906 > 79 81 Y 0.62514377829776 0.98927532221398 0.16903382219947 88.906 > 81 82 Y 0.62514377829776 0.98927532221398 0.66903382219947 88.906 > 81 83 Y 0.37485622170224 0.48927532221398 0.33096617780053 88.906 > 83 84 Y 0.37485622170224 0.48927532221398 0.83096617780053 88.906 > 83 85 Y 0.12514377829776 0.98927532221398 0.08096617780053 88.906 > 85 86 Y 0.12514377829776 0.98927532221398 0.58096617780053 88.906 > 85 87 Y 0.87485622170224 0.48927532221398 0.41903382219947 88.906 > 87 88 Y 0.87485622170224 0.48927532221398 0.91903382219947 88.906 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3449755 0.0000000 0.0000000 0.0000000 3.3976023 0.0000000 0.0000000 0.0000000 3.3588104 -------------------------- Born effective charges -------------------------- 1 O -1.4924229 0.0000000 0.6626762 0.0000000 -2.3837459 0.0000000 0.5683120 0.0000000 -2.1781196 2 O -1.4924229 0.0000000 0.6626762 0.0000000 -2.3837459 0.0000000 0.5683120 0.0000000 -2.1781196 3 O -1.4924229 0.0000000 -0.6626762 0.0000000 -2.3837459 0.0000000 -0.5683120 0.0000000 -2.1781196 4 O -1.4924229 0.0000000 -0.6626762 0.0000000 -2.3837459 0.0000000 -0.5683120 0.0000000 -2.1781196 5 O -1.9075736 -0.1683701 -0.3279475 -0.0083197 -1.9814635 -0.6409946 -0.1850881 -0.5568985 -2.0761287 6 O -1.9075736 0.1683701 -0.3279475 0.0083197 -1.9814635 0.6409946 -0.1850881 0.5568985 -2.0761287 7 O -1.9075736 -0.1683701 0.3279475 -0.0083197 -1.9814635 0.6409946 0.1850881 0.5568985 -2.0761287 8 O -1.9075736 0.1683701 0.3279475 0.0083197 -1.9814635 -0.6409946 0.1850881 -0.5568985 -2.0761287 9 O -1.9075736 0.1683701 -0.3279475 0.0083197 -1.9814635 0.6409946 -0.1850881 0.5568985 -2.0761287 10 O -1.9075736 -0.1683701 -0.3279475 -0.0083197 -1.9814635 -0.6409946 -0.1850881 -0.5568985 -2.0761287 11 O -1.9075736 0.1683701 0.3279475 0.0083197 -1.9814635 -0.6409946 0.1850881 -0.5568985 -2.0761287 12 O -1.9075736 -0.1683701 0.3279475 -0.0083197 -1.9814635 0.6409946 0.1850881 0.5568985 -2.0761287 13 O -2.7370129 0.0000000 -0.4607073 0.0000000 -1.6925825 0.0000000 -0.5632854 0.0000000 -1.7432634 14 O -2.7370129 0.0000000 -0.4607073 0.0000000 -1.6925825 0.0000000 -0.5632854 0.0000000 -1.7432634 15 O -2.7370129 0.0000000 0.4607073 0.0000000 -1.6925825 0.0000000 0.5632854 0.0000000 -1.7432634 16 O -2.7370129 0.0000000 0.4607073 0.0000000 -1.6925825 0.0000000 0.5632854 0.0000000 -1.7432634 17 O -2.3259580 0.4919222 0.4065866 0.4927647 -1.9194376 0.3037226 0.5036971 0.2345664 -1.7721832 18 O -2.3259580 -0.4919222 0.4065866 -0.4927647 -1.9194376 -0.3037226 0.5036971 -0.2345664 -1.7721832 19 O -2.3259580 0.4919222 -0.4065866 0.4927647 -1.9194376 -0.3037226 -0.5036971 -0.2345664 -1.7721832 20 O -2.3259580 -0.4919222 -0.4065866 -0.4927647 -1.9194376 0.3037226 -0.5036971 0.2345664 -1.7721832 21 O -2.3259580 -0.4919222 0.4065866 -0.4927647 -1.9194376 -0.3037226 0.5036971 -0.2345664 -1.7721832 22 O -2.3259580 0.4919222 0.4065866 0.4927647 -1.9194376 0.3037226 0.5036971 0.2345664 -1.7721832 23 O -2.3259580 -0.4919222 -0.4065866 -0.4927647 -1.9194376 0.3037226 -0.5036971 0.2345664 -1.7721832 24 O -2.3259580 0.4919222 -0.4065866 0.4927647 -1.9194376 -0.3037226 -0.5036971 -0.2345664 -1.7721832 25 O -1.2525877 0.0000000 -0.3885041 0.0000000 -2.3369840 0.0000000 -0.4424042 0.0000000 -2.4980289 26 O -1.2525877 0.0000000 -0.3885041 0.0000000 -2.3369840 0.0000000 -0.4424042 0.0000000 -2.4980289 27 O -1.2525877 0.0000000 0.3885041 0.0000000 -2.3369840 0.0000000 0.4424042 0.0000000 -2.4980289 28 O -1.2525877 0.0000000 0.3885041 0.0000000 -2.3369840 0.0000000 0.4424042 0.0000000 -2.4980289 29 Si 3.0642556 0.0000000 -0.2847026 0.0000000 3.1733405 0.0000000 -0.2694302 0.0000000 3.1860354 30 Si 3.0642556 0.0000000 -0.2847026 0.0000000 3.1733405 0.0000000 -0.2694302 0.0000000 3.1860354 31 Si 3.0642556 0.0000000 0.2847026 0.0000000 3.1733405 0.0000000 0.2694302 0.0000000 3.1860354 32 Si 3.0642556 0.0000000 0.2847026 0.0000000 3.1733405 0.0000000 0.2694302 0.0000000 3.1860354 33 Si 3.0571914 0.0000000 -0.1037383 0.0000000 3.1772448 0.0000000 0.1199361 0.0000000 3.3869526 34 Si 3.0571914 0.0000000 -0.1037383 0.0000000 3.1772448 0.0000000 0.1199361 0.0000000 3.3869526 35 Si 3.0571914 0.0000000 0.1037383 0.0000000 3.1772448 0.0000000 -0.1199361 0.0000000 3.3869526 36 Si 3.0571914 0.0000000 0.1037383 0.0000000 3.1772448 0.0000000 -0.1199361 0.0000000 3.3869526 37 Y 3.9138199 0.0334874 -0.1337357 -0.1078097 3.9322646 -0.1860713 -0.0965643 0.0595267 3.7715237 38 Y 3.9138199 -0.0334874 -0.1337357 0.1078097 3.9322646 0.1860713 -0.0965643 -0.0595267 3.7715237 39 Y 3.9138199 0.0334874 0.1337357 -0.1078097 3.9322646 0.1860713 0.0965643 -0.0595267 3.7715237 40 Y 3.9138199 -0.0334874 0.1337357 0.1078097 3.9322646 -0.1860713 0.0965643 0.0595267 3.7715237 41 Y 3.9138199 -0.0334874 -0.1337357 0.1078097 3.9322646 0.1860713 -0.0965643 -0.0595267 3.7715237 42 Y 3.9138199 0.0334874 -0.1337357 -0.1078097 3.9322646 -0.1860713 -0.0965643 0.0595267 3.7715237 43 Y 3.9138199 -0.0334874 0.1337357 0.1078097 3.9322646 -0.1860713 0.0965643 0.0595267 3.7715237 44 Y 3.9138199 0.0334874 0.1337357 -0.1078097 3.9322646 0.1860713 0.0965643 -0.0595267 3.7715237 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yzy) 0.00000001 (yzy) 0.00000001 (yyz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 4 6 10 ] 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: 0.51, Number of G-points: 305, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 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 2.376 ( 0.000 0.000 0.000) 0.000 2.553 ( 0.000 0.000 0.000) 0.000 2.699 ( 0.000 0.000 0.000) 0.000 2.825 ( 0.000 0.000 0.000) 0.000 3.261 ( 0.000 0.000 0.000) 0.000 3.329 ( 0.000 0.000 0.000) 0.000 3.500 ( 0.000 0.000 0.000) 0.000 3.828 ( 0.000 0.000 0.000) 0.000 3.829 ( 0.000 0.000 0.000) 0.000 4.361 ( 0.000 0.000 0.000) 0.000 4.435 ( 0.000 0.000 0.000) 0.000 4.467 ( 0.000 0.000 0.000) 0.000 4.571 ( 0.000 0.000 0.000) 0.000 4.574 ( 0.000 0.000 0.000) 0.000 4.667 ( 0.000 0.000 0.000) 0.000 4.680 ( 0.000 0.000 0.000) 0.000 4.799 ( 0.000 0.000 0.000) 0.000 4.979 ( 0.000 0.000 0.000) 0.000 4.991 ( 0.000 0.000 0.000) 0.000 5.031 ( 0.000 0.000 0.000) 0.000 5.358 ( 0.000 0.000 0.000) 0.000 5.633 ( 0.000 0.000 0.000) 0.000 5.651 ( 0.000 0.000 0.000) 0.000 5.686 ( 0.000 0.000 0.000) 0.000 5.702 ( 0.000 0.000 0.000) 0.000 5.707 ( 0.000 0.000 0.000) 0.000 5.774 ( 0.000 0.000 0.000) 0.000 6.009 ( 0.000 0.000 0.000) 0.000 6.044 ( 0.000 0.000 0.000) 0.000 6.051 ( 0.000 0.000 0.000) 0.000 6.079 ( 0.000 0.000 0.000) 0.000 6.163 ( 0.000 0.000 0.000) 0.000 6.462 ( 0.000 0.000 0.000) 0.000 6.525 ( 0.000 0.000 0.000) 0.000 6.668 ( 0.000 0.000 0.000) 0.000 6.720 ( 0.000 0.000 0.000) 0.000 6.958 ( 0.000 0.000 0.000) 0.000 6.976 ( 0.000 0.000 0.000) 0.000 7.140 ( 0.000 0.000 0.000) 0.000 7.147 ( 0.000 0.000 0.000) 0.000 7.156 ( 0.000 0.000 0.000) 0.000 7.259 ( 0.000 0.000 0.000) 0.000 7.263 ( 0.000 0.000 0.000) 0.000 7.322 ( 0.000 0.000 0.000) 0.000 7.495 ( 0.000 0.000 0.000) 0.000 7.604 ( 0.000 0.000 0.000) 0.000 7.643 ( 0.000 0.000 0.000) 0.000 7.675 ( 0.000 0.000 0.000) 0.000 7.805 ( 0.000 0.000 0.000) 0.000 7.866 ( 0.000 0.000 0.000) 0.000 8.001 ( 0.000 0.000 0.000) 0.000 8.209 ( 0.000 0.000 0.000) 0.000 8.401 ( 0.000 0.000 0.000) 0.000 8.683 ( 0.000 0.000 0.000) 0.000 8.878 ( 0.000 0.000 0.000) 0.000 9.232 ( 0.000 0.000 0.000) 0.000 9.426 ( 0.000 0.000 0.000) 0.000 9.441 ( 0.000 0.000 0.000) 0.000 9.564 ( 0.000 0.000 0.000) 0.000 10.003 ( 0.000 0.000 0.000) 0.000 10.281 ( 0.000 0.000 0.000) 0.000 10.540 ( 0.000 0.000 0.000) 0.000 10.586 ( 0.000 0.000 0.000) 0.000 10.760 ( 0.000 0.000 0.000) 0.000 11.092 ( 0.000 0.000 0.000) 0.000 11.267 ( 0.000 0.000 0.000) 0.000 11.800 ( 0.000 0.000 0.000) 0.000 11.834 ( 0.000 0.000 0.000) 0.000 11.953 ( 0.000 0.000 0.000) 0.000 12.038 ( 0.000 0.000 0.000) 0.000 12.212 ( 0.000 0.000 0.000) 0.000 12.242 ( 0.000 0.000 0.000) 0.000 12.282 ( 0.000 0.000 0.000) 0.000 12.520 ( 0.000 0.000 0.000) 0.000 12.761 ( 0.000 0.000 0.000) 0.000 12.919 ( 0.000 0.000 0.000) 0.000 13.003 ( 0.000 0.000 0.000) 0.000 13.517 ( 0.000 0.000 0.000) 0.000 13.522 ( 0.000 0.000 0.000) 0.000 13.585 ( 0.000 0.000 0.000) 0.000 13.649 ( 0.000 0.000 0.000) 0.000 13.963 ( 0.000 0.000 0.000) 0.000 14.320 ( 0.000 0.000 0.000) 0.000 14.506 ( 0.000 0.000 0.000) 0.000 14.561 ( 0.000 0.000 0.000) 0.000 15.035 ( 0.000 0.000 0.000) 0.000 15.037 ( 0.000 0.000 0.000) 0.000 15.055 ( 0.000 0.000 0.000) 0.000 15.058 ( 0.000 0.000 0.000) 0.000 15.129 ( 0.000 0.000 0.000) 0.000 15.293 ( 0.000 0.000 0.000) 0.000 15.866 ( 0.000 0.000 0.000) 0.000 15.960 ( 0.000 0.000 0.000) 0.000 16.040 ( 0.000 0.000 0.000) 0.000 16.836 ( 0.000 0.000 0.000) 0.000 16.965 ( 0.000 0.000 0.000) 0.000 17.533 ( 0.000 0.000 0.000) 0.000 18.165 ( 0.000 0.000 0.000) 0.000 18.236 ( 0.000 0.000 0.000) 0.000 18.658 ( 0.000 0.000 0.000) 0.000 19.021 ( 0.000 0.000 0.000) 0.000 24.546 ( 0.000 0.000 0.000) 0.000 24.671 ( 0.000 0.000 0.000) 0.000 24.903 ( 0.000 0.000 0.000) 0.000 25.345 ( 0.000 0.000 0.000) 0.000 26.294 ( 0.000 0.000 0.000) 0.000 26.446 ( 0.000 0.000 0.000) 0.000 26.485 ( 0.000 0.000 0.000) 0.000 26.500 ( 0.000 0.000 0.000) 0.000 27.921 ( 0.000 0.000 0.000) 0.000 27.964 ( 0.000 0.000 0.000) 0.000 27.972 ( 0.000 0.000 0.000) 0.000 28.028 ( 0.000 0.000 0.000) 0.000 28.062 ( 0.000 0.000 0.000) 0.000 28.069 ( 0.000 0.000 0.000) 0.000 28.147 ( 0.000 0.000 0.000) 0.000 28.296 ( 0.000 0.000 0.000) 0.000 28.589 ( 0.000 0.000 0.000) 0.000 28.736 ( 0.000 0.000 0.000) 0.000 28.820 ( 0.000 0.000 0.000) 0.000 28.890 ( 0.000 0.000 0.000) 0.000 29.515 ( 0.000 0.000 0.000) 0.000 29.669 ( 0.000 0.000 0.000) 0.000 29.726 ( 0.000 0.000 0.000) 0.000 29.933 ( 0.000 0.000 0.000) 0.000 30.083 ( 0.000 0.000 0.000) 0.000 30.136 ( 0.000 0.000 0.000) 0.000 30.701 ( 0.000 0.000 0.000) 0.000 30.841 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 38.179 0.000 0.000) 38.179 0.753 ( 40.405 0.000 0.000) 40.405 1.142 ( 58.949 0.000 0.000) 58.949 2.056 ( -26.711 0.000 0.000) 26.711 2.107 ( -31.454 0.000 0.000) 31.454 2.991 ( 14.906 0.000 0.000) 14.906 3.055 ( -25.853 0.000 0.000) 25.853 3.078 ( 17.717 0.000 0.000) 17.717 3.300 ( -3.358 0.000 0.000) 3.358 3.485 ( -1.180 0.000 0.000) 1.180 3.587 ( -9.662 0.000 0.000) 9.662 3.819 ( -33.031 0.000 0.000) 33.031 4.103 ( 12.979 0.000 0.000) 12.979 4.366 ( -0.765 0.000 0.000) 0.765 4.455 ( -0.443 0.000 0.000) 0.443 4.479 ( -2.007 0.000 0.000) 2.007 4.650 ( -2.607 0.000 0.000) 2.607 4.714 ( -5.192 0.000 0.000) 5.192 4.821 ( 16.357 0.000 0.000) 16.357 4.976 ( 4.863 0.000 0.000) 4.863 5.020 ( 2.390 0.000 0.000) 2.390 5.113 ( 6.671 0.000 0.000) 6.671 5.228 ( 24.404 0.000 0.000) 24.404 5.322 ( -3.668 0.000 0.000) 3.668 5.490 ( -13.952 0.000 0.000) 13.952 5.598 ( -3.356 0.000 0.000) 3.356 5.673 ( -1.289 0.000 0.000) 1.289 5.691 ( -1.983 0.000 0.000) 1.983 5.790 ( 2.630 0.000 0.000) 2.630 5.796 ( 6.907 0.000 0.000) 6.907 5.981 ( -3.292 0.000 0.000) 3.292 6.040 ( -2.139 0.000 0.000) 2.139 6.084 ( 0.318 0.000 0.000) 0.318 6.116 ( -3.680 0.000 0.000) 3.680 6.471 ( 0.436 0.000 0.000) 0.436 6.510 ( -3.102 0.000 0.000) 3.102 6.652 ( 4.891 0.000 0.000) 4.891 6.744 ( 3.155 0.000 0.000) 3.155 6.866 ( 10.707 0.000 0.000) 10.707 6.900 ( -4.988 0.000 0.000) 4.988 7.028 ( -8.386 0.000 0.000) 8.386 7.166 ( 0.950 0.000 0.000) 0.950 7.170 ( 1.830 0.000 0.000) 1.830 7.254 ( -0.633 0.000 0.000) 0.633 7.262 ( 0.142 0.000 0.000) 0.142 7.360 ( -10.845 0.000 0.000) 10.845 7.457 ( 10.879 0.000 0.000) 10.879 7.549 ( 3.431 0.000 0.000) 3.431 7.649 ( 0.781 0.000 0.000) 0.781 7.705 ( 3.007 0.000 0.000) 3.007 7.817 ( -0.407 0.000 0.000) 0.407 7.823 ( 1.869 0.000 0.000) 1.869 7.840 ( -2.782 0.000 0.000) 2.782 8.134 ( -15.589 0.000 0.000) 15.589 8.232 ( 2.341 0.000 0.000) 2.341 8.362 ( -3.549 0.000 0.000) 3.549 8.770 ( 8.827 0.000 0.000) 8.827 9.050 ( 7.240 0.000 0.000) 7.240 9.260 ( -14.531 0.000 0.000) 14.531 9.307 ( 6.599 0.000 0.000) 6.599 9.374 ( -6.850 0.000 0.000) 6.850 9.528 ( -3.866 0.000 0.000) 3.866 10.105 ( 7.816 0.000 0.000) 7.816 10.269 ( -1.393 0.000 0.000) 1.393 10.546 ( 2.454 0.000 0.000) 2.454 10.682 ( 8.059 0.000 0.000) 8.059 10.721 ( -4.114 0.000 0.000) 4.114 11.020 ( -8.254 0.000 0.000) 8.254 11.356 ( 8.298 0.000 0.000) 8.298 11.740 ( -9.168 0.000 0.000) 9.168 11.761 ( 0.206 0.000 0.000) 0.206 12.039 ( -12.158 0.000 0.000) 12.158 12.130 ( 13.926 0.000 0.000) 13.926 12.291 ( 7.618 0.000 0.000) 7.618 12.412 ( 3.760 0.000 0.000) 3.760 12.505 ( 5.240 0.000 0.000) 5.240 12.530 ( -0.785 0.000 0.000) 0.785 12.716 ( -4.184 0.000 0.000) 4.184 12.902 ( -1.102 0.000 0.000) 1.102 12.975 ( -2.906 0.000 0.000) 2.906 13.428 ( -6.590 0.000 0.000) 6.590 13.434 ( -5.520 0.000 0.000) 5.520 13.646 ( 3.621 0.000 0.000) 3.621 13.687 ( 1.791 0.000 0.000) 1.791 14.396 ( 7.269 0.000 0.000) 7.269 14.534 ( 2.286 0.000 0.000) 2.286 14.580 ( 1.909 0.000 0.000) 1.909 14.735 ( -3.886 0.000 0.000) 3.886 15.017 ( -0.889 0.000 0.000) 0.889 15.024 ( -1.024 0.000 0.000) 1.024 15.074 ( 2.586 0.000 0.000) 2.586 15.089 ( 2.130 0.000 0.000) 2.130 15.134 ( 0.086 0.000 0.000) 0.086 15.493 ( -20.615 0.000 0.000) 20.615 16.122 ( 8.575 0.000 0.000) 8.575 16.358 ( 23.709 0.000 0.000) 23.709 16.607 ( -15.338 0.000 0.000) 15.338 17.110 ( -14.282 0.000 0.000) 14.282 17.165 ( 12.317 0.000 0.000) 12.317 17.490 ( -4.688 0.000 0.000) 4.688 18.194 ( 2.344 0.000 0.000) 2.344 18.235 ( -0.118 0.000 0.000) 0.118 18.829 ( 3.597 0.000 0.000) 3.597 18.991 ( -3.225 0.000 0.000) 3.225 24.698 ( 2.862 0.000 0.000) 2.862 24.857 ( -4.324 0.000 0.000) 4.324 25.402 ( 5.539 0.000 0.000) 5.539 25.637 ( -5.040 0.000 0.000) 5.040 26.322 ( 2.766 0.000 0.000) 2.766 26.426 ( -1.970 0.000 0.000) 1.970 26.494 ( 0.745 0.000 0.000) 0.745 26.519 ( -0.468 0.000 0.000) 0.468 27.939 ( 1.952 0.000 0.000) 1.952 27.962 ( -0.149 0.000 0.000) 0.149 27.967 ( -0.421 0.000 0.000) 0.421 28.034 ( 0.680 0.000 0.000) 0.680 28.043 ( -2.290 0.000 0.000) 2.290 28.070 ( -1.149 0.000 0.000) 1.149 28.164 ( 1.689 0.000 0.000) 1.689 28.260 ( -3.052 0.000 0.000) 3.052 28.688 ( 9.726 0.000 0.000) 9.726 28.753 ( 1.675 0.000 0.000) 1.675 28.811 ( -0.911 0.000 0.000) 0.911 29.231 ( -18.460 0.000 0.000) 18.460 29.659 ( -0.034 0.000 0.000) 0.034 29.666 ( -0.309 0.000 0.000) 0.309 29.965 ( 3.263 0.000 0.000) 3.263 30.026 ( 20.052 0.000 0.000) 20.052 30.108 ( -2.917 0.000 0.000) 2.917 30.613 ( -9.412 0.000 0.000) 9.412 30.848 ( 0.772 0.000 0.000) 0.772 30.883 ( -0.694 0.000 0.000) 0.694 ======================= Grid point 2 (3/72) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -32.662 0.000 0.000) 32.662 1.379 ( 32.662 0.000 0.000) 32.662 1.470 ( -37.319 0.000 0.000) 37.319 1.470 ( 37.319 0.000 0.000) 37.319 2.292 ( -51.276 0.000 0.000) 51.276 2.292 ( 51.276 0.000 0.000) 51.276 3.198 ( -8.030 0.000 0.000) 8.030 3.198 ( 8.030 0.000 0.000) 8.030 3.392 ( -17.310 0.000 0.000) 17.310 3.392 ( 17.310 0.000 0.000) 17.310 3.484 ( -1.982 0.000 0.000) 1.982 3.484 ( 1.982 0.000 0.000) 1.982 4.289 ( -7.341 0.000 0.000) 7.341 4.289 ( 7.341 0.000 0.000) 7.341 4.467 ( -0.532 0.000 0.000) 0.532 4.467 ( 0.532 0.000 0.000) 0.532 4.631 ( -1.933 0.000 0.000) 1.933 4.631 ( 1.933 0.000 0.000) 1.933 5.036 ( -1.388 0.000 0.000) 1.388 5.036 ( 1.388 0.000 0.000) 1.388 5.172 ( -19.675 0.000 0.000) 19.675 5.172 ( 19.675 0.000 0.000) 19.675 5.232 ( -5.951 0.000 0.000) 5.951 5.232 ( 5.951 0.000 0.000) 5.951 5.516 ( -7.396 0.000 0.000) 7.396 5.516 ( 7.396 0.000 0.000) 7.396 5.657 ( -0.463 0.000 0.000) 0.463 5.657 ( 0.463 0.000 0.000) 0.463 5.885 ( -6.650 0.000 0.000) 6.650 5.885 ( 6.650 0.000 0.000) 6.650 5.937 ( -7.816 0.000 0.000) 7.816 5.937 ( 7.816 0.000 0.000) 7.816 6.087 ( -0.197 0.000 0.000) 0.197 6.087 ( 0.197 0.000 0.000) 0.197 6.473 ( -0.455 0.000 0.000) 0.455 6.473 ( 0.455 0.000 0.000) 0.455 6.761 ( -4.624 0.000 0.000) 4.624 6.761 ( 4.624 0.000 0.000) 4.624 6.880 ( -5.904 0.000 0.000) 5.904 6.880 ( 5.904 0.000 0.000) 5.904 7.112 ( -14.880 0.000 0.000) 14.880 7.112 ( 14.880 0.000 0.000) 14.880 7.183 ( -0.588 0.000 0.000) 0.588 7.183 ( 0.588 0.000 0.000) 0.588 7.256 ( -0.699 0.000 0.000) 0.699 7.256 ( 0.699 0.000 0.000) 0.699 7.590 ( -0.266 0.000 0.000) 0.266 7.590 ( 0.266 0.000 0.000) 0.266 7.741 ( -9.703 0.000 0.000) 9.703 7.741 ( 9.703 0.000 0.000) 9.703 7.774 ( -4.059 0.000 0.000) 4.059 7.774 ( 4.059 0.000 0.000) 4.059 7.884 ( -6.847 0.000 0.000) 6.847 7.884 ( 6.847 0.000 0.000) 6.847 8.290 ( -3.854 0.000 0.000) 3.854 8.290 ( 3.854 0.000 0.000) 3.854 8.985 ( -14.120 0.000 0.000) 14.120 8.985 ( 14.120 0.000 0.000) 14.120 9.214 ( -9.733 0.000 0.000) 9.733 9.214 ( 9.733 0.000 0.000) 9.733 9.431 ( -6.366 0.000 0.000) 6.366 9.431 ( 6.366 0.000 0.000) 6.366 10.220 ( -4.303 0.000 0.000) 4.303 10.220 ( 4.303 0.000 0.000) 4.303 10.626 ( -5.529 0.000 0.000) 5.529 10.626 ( 5.529 0.000 0.000) 5.529 10.850 ( -9.708 0.000 0.000) 9.708 10.850 ( 9.708 0.000 0.000) 9.708 11.543 ( -11.330 0.000 0.000) 11.330 11.543 ( 11.330 0.000 0.000) 11.330 11.843 ( -8.336 0.000 0.000) 8.336 11.843 ( 8.336 0.000 0.000) 8.336 12.362 ( -9.208 0.000 0.000) 9.208 12.362 ( 9.208 0.000 0.000) 9.208 12.444 ( -7.824 0.000 0.000) 7.824 12.444 ( 7.824 0.000 0.000) 7.824 12.621 ( -6.331 0.000 0.000) 6.331 12.621 ( 6.331 0.000 0.000) 6.331 12.916 ( -2.763 0.000 0.000) 2.763 12.916 ( 2.763 0.000 0.000) 2.763 13.366 ( -0.710 0.000 0.000) 0.710 13.366 ( 0.710 0.000 0.000) 0.710 13.692 ( -1.224 0.000 0.000) 1.224 13.692 ( 1.224 0.000 0.000) 1.224 14.522 ( -4.555 0.000 0.000) 4.555 14.522 ( 4.555 0.000 0.000) 4.555 14.647 ( -5.048 0.000 0.000) 5.048 14.647 ( 5.048 0.000 0.000) 5.048 15.011 ( -0.264 0.000 0.000) 0.264 15.011 ( 0.264 0.000 0.000) 0.264 15.122 ( -1.344 0.000 0.000) 1.344 15.122 ( 1.344 0.000 0.000) 1.344 15.190 ( -11.301 0.000 0.000) 11.301 15.190 ( 11.301 0.000 0.000) 11.301 16.334 ( -13.830 0.000 0.000) 13.830 16.334 ( 13.830 0.000 0.000) 13.830 16.775 ( -21.180 0.000 0.000) 21.180 16.775 ( 21.180 0.000 0.000) 21.180 17.363 ( -9.001 0.000 0.000) 9.001 17.363 ( 9.001 0.000 0.000) 9.001 18.227 ( -0.996 0.000 0.000) 0.996 18.227 ( 0.996 0.000 0.000) 0.996 18.912 ( -4.930 0.000 0.000) 4.930 18.912 ( 4.930 0.000 0.000) 4.930 24.769 ( -4.703 0.000 0.000) 4.703 24.769 ( 4.703 0.000 0.000) 4.703 25.522 ( -6.923 0.000 0.000) 6.923 25.522 ( 6.923 0.000 0.000) 6.923 26.379 ( -3.053 0.000 0.000) 3.053 26.379 ( 3.053 0.000 0.000) 3.053 26.508 ( -0.741 0.000 0.000) 0.741 26.508 ( 0.741 0.000 0.000) 0.741 27.961 ( -0.155 0.000 0.000) 0.155 27.961 ( 0.155 0.000 0.000) 0.155 27.988 ( -3.184 0.000 0.000) 3.184 27.988 ( 3.184 0.000 0.000) 3.184 28.050 ( -1.012 0.000 0.000) 1.012 28.050 ( 1.012 0.000 0.000) 1.012 28.205 ( -2.708 0.000 0.000) 2.708 28.205 ( 2.708 0.000 0.000) 2.708 28.787 ( -1.729 0.000 0.000) 1.729 28.787 ( 1.729 0.000 0.000) 1.729 28.919 ( -15.121 0.000 0.000) 15.121 28.919 ( 15.121 0.000 0.000) 15.121 29.661 ( -0.247 0.000 0.000) 0.247 29.661 ( 0.247 0.000 0.000) 0.247 30.039 ( -4.312 0.000 0.000) 4.312 30.039 ( 4.312 0.000 0.000) 4.312 30.369 ( -16.632 0.000 0.000) 16.632 30.369 ( 16.632 0.000 0.000) 16.632 30.866 ( -1.030 0.000 0.000) 1.030 30.866 ( 1.030 0.000 0.000) 1.030 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 0.000 37.203 0.000) 37.203 0.907 ( 0.000 44.261 0.000) 44.261 1.377 ( 0.000 64.171 0.000) 64.171 2.457 ( 0.000 8.668 0.000) 8.668 2.598 ( 0.000 2.588 0.000) 2.588 2.767 ( 0.000 3.924 0.000) 3.924 2.936 ( 0.000 10.903 0.000) 10.903 3.307 ( 0.000 4.807 0.000) 4.807 3.340 ( 0.000 -15.508 0.000) 15.508 3.457 ( 0.000 9.235 0.000) 9.235 3.751 ( 0.000 -3.739 0.000) 3.739 3.753 ( 0.000 -7.677 0.000) 7.677 4.273 ( 0.000 -18.757 0.000) 18.757 4.368 ( 0.000 -11.392 0.000) 11.392 4.400 ( 0.000 3.238 0.000) 3.238 4.430 ( 0.000 -7.499 0.000) 7.499 4.509 ( 0.000 2.669 0.000) 2.669 4.648 ( 0.000 -2.523 0.000) 2.523 4.843 ( 0.000 3.936 0.000) 3.936 4.889 ( 0.000 9.823 0.000) 9.823 5.021 ( 0.000 1.905 0.000) 1.905 5.077 ( 0.000 8.528 0.000) 8.528 5.142 ( 0.000 11.687 0.000) 11.687 5.328 ( 0.000 -4.580 0.000) 4.580 5.355 ( 0.000 -9.169 0.000) 9.169 5.555 ( 0.000 -9.880 0.000) 9.880 5.598 ( 0.000 -12.185 0.000) 12.185 5.671 ( 0.000 -3.594 0.000) 3.594 5.767 ( 0.000 0.256 0.000) 0.256 5.941 ( 0.000 10.204 0.000) 10.204 5.991 ( 0.000 -1.667 0.000) 1.667 6.071 ( 0.000 5.046 0.000) 5.046 6.081 ( 0.000 3.158 0.000) 3.158 6.275 ( 0.000 -4.194 0.000) 4.194 6.290 ( 0.000 7.628 0.000) 7.628 6.510 ( 0.000 -1.481 0.000) 1.481 6.529 ( 0.000 5.769 0.000) 5.769 6.622 ( 0.000 -2.403 0.000) 2.403 6.690 ( 0.000 -1.643 0.000) 1.643 6.868 ( 0.000 -11.227 0.000) 11.227 6.942 ( 0.000 -3.423 0.000) 3.423 7.096 ( 0.000 -4.228 0.000) 4.228 7.103 ( 0.000 -3.364 0.000) 3.364 7.128 ( 0.000 -11.909 0.000) 11.909 7.197 ( 0.000 1.210 0.000) 1.210 7.291 ( 0.000 1.877 0.000) 1.877 7.346 ( 0.000 7.110 0.000) 7.110 7.467 ( 0.000 -13.716 0.000) 13.716 7.533 ( 0.000 4.433 0.000) 4.433 7.597 ( 0.000 -1.448 0.000) 1.448 7.721 ( 0.000 -4.347 0.000) 4.347 7.902 ( 0.000 -4.279 0.000) 4.279 8.021 ( 0.000 22.991 0.000) 22.991 8.397 ( 0.000 12.945 0.000) 12.945 8.509 ( 0.000 7.876 0.000) 7.876 8.714 ( 0.000 3.199 0.000) 3.199 8.924 ( 0.000 4.705 0.000) 4.705 9.170 ( 0.000 -5.659 0.000) 5.659 9.440 ( 0.000 0.029 0.000) 0.029 9.448 ( 0.000 1.865 0.000) 1.865 9.548 ( 0.000 -1.550 0.000) 1.550 9.721 ( 0.000 -6.476 0.000) 6.476 10.101 ( 0.000 -12.991 0.000) 12.991 10.113 ( 0.000 -11.479 0.000) 11.479 10.551 ( 0.000 -2.835 0.000) 2.835 10.651 ( 0.000 4.752 0.000) 4.752 10.827 ( 0.000 5.462 0.000) 5.462 11.082 ( 0.000 -0.814 0.000) 0.814 11.338 ( 0.000 6.164 0.000) 6.164 11.592 ( 0.000 -12.607 0.000) 12.607 11.890 ( 0.000 -4.599 0.000) 4.599 11.944 ( 0.000 4.334 0.000) 4.334 12.087 ( 0.000 2.997 0.000) 2.997 12.228 ( 0.000 1.753 0.000) 1.753 12.234 ( 0.000 -6.328 0.000) 6.328 12.447 ( 0.000 0.217 0.000) 0.217 12.571 ( 0.000 17.635 0.000) 17.635 12.778 ( 0.000 1.865 0.000) 1.865 12.874 ( 0.000 -10.312 0.000) 10.312 12.908 ( 0.000 -1.042 0.000) 1.042 13.613 ( 0.000 6.906 0.000) 6.906 13.614 ( 0.000 7.210 0.000) 7.210 13.618 ( 0.000 -2.452 0.000) 2.452 13.981 ( 0.000 2.055 0.000) 2.055 14.197 ( 0.000 -5.720 0.000) 5.720 14.302 ( 0.000 -1.774 0.000) 1.774 14.444 ( 0.000 -4.241 0.000) 4.241 14.563 ( 0.000 0.155 0.000) 0.155 14.995 ( 0.000 -4.029 0.000) 4.029 15.082 ( 0.000 4.340 0.000) 4.340 15.094 ( 0.000 3.401 0.000) 3.401 15.205 ( 0.000 5.682 0.000) 5.682 15.293 ( 0.000 -0.125 0.000) 0.125 15.494 ( 0.000 -1.684 0.000) 1.684 15.556 ( 0.000 -19.128 0.000) 19.128 15.788 ( 0.000 -6.652 0.000) 6.652 16.495 ( 0.000 23.874 0.000) 23.874 16.981 ( 0.000 1.679 0.000) 1.679 17.558 ( 0.000 -8.787 0.000) 8.787 17.562 ( 0.000 1.580 0.000) 1.580 18.235 ( 0.000 0.683 0.000) 0.683 18.241 ( 0.000 6.084 0.000) 6.084 18.640 ( 0.000 -1.778 0.000) 1.778 18.942 ( 0.000 -7.379 0.000) 7.379 24.553 ( 0.000 0.732 0.000) 0.732 24.662 ( 0.000 -0.862 0.000) 0.862 24.885 ( 0.000 -1.385 0.000) 1.385 25.240 ( 0.000 -8.997 0.000) 8.997 26.314 ( 0.000 1.920 0.000) 1.920 26.410 ( 0.000 -2.490 0.000) 2.490 26.454 ( 0.000 -2.514 0.000) 2.514 26.493 ( 0.000 -0.711 0.000) 0.711 27.904 ( 0.000 -5.313 0.000) 5.313 27.905 ( 0.000 -1.217 0.000) 1.217 28.033 ( 0.000 -1.588 0.000) 1.588 28.063 ( 0.000 -0.568 0.000) 0.568 28.142 ( 0.000 13.841 0.000) 13.841 28.231 ( 0.000 4.669 0.000) 4.669 28.353 ( 0.000 12.153 0.000) 12.153 28.569 ( 0.000 -1.916 0.000) 1.916 28.749 ( 0.000 1.290 0.000) 1.290 28.857 ( 0.000 3.644 0.000) 3.644 28.886 ( 0.000 -0.444 0.000) 0.444 29.448 ( 0.000 -5.690 0.000) 5.690 29.675 ( 0.000 -0.177 0.000) 0.177 29.706 ( 0.000 -1.724 0.000) 1.724 29.935 ( 0.000 0.221 0.000) 0.221 30.061 ( 0.000 -2.027 0.000) 2.027 30.183 ( 0.000 4.538 0.000) 4.538 30.717 ( 0.000 1.539 0.000) 1.539 30.794 ( 0.000 -4.417 0.000) 4.417 30.998 ( 0.000 -2.807 0.000) 2.807 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 25.797 24.821 0.000) 35.799 1.138 ( 22.342 33.723 0.000) 40.452 1.769 ( 31.552 44.769 0.000) 54.771 2.163 ( -30.267 5.149 0.000) 30.701 2.194 ( -18.261 15.184 0.000) 23.749 3.061 ( 11.136 4.340 0.000) 11.952 3.142 ( 15.675 7.417 0.000) 17.341 3.179 ( -12.094 8.335 0.000) 14.688 3.341 ( 0.681 -13.728 0.000) 13.745 3.432 ( -2.792 9.295 0.000) 9.705 3.539 ( -10.373 -2.609 0.000) 10.696 3.811 ( -14.571 -0.496 0.000) 14.579 4.105 ( -9.584 -1.476 0.000) 9.697 4.220 ( -4.132 -17.696 0.000) 18.172 4.328 ( -1.016 -10.718 0.000) 10.766 4.410 ( 0.058 -0.137 0.000) 0.149 4.604 ( -2.992 -1.853 0.000) 3.519 4.673 ( 11.882 -5.657 0.000) 13.160 4.724 ( -1.307 1.294 0.000) 1.839 5.052 ( 2.780 2.927 0.000) 4.037 5.108 ( 6.580 2.302 0.000) 6.971 5.177 ( 3.310 8.265 0.000) 8.903 5.251 ( -7.649 -11.772 0.000) 14.039 5.312 ( -3.171 -1.915 0.000) 3.704 5.319 ( 17.442 6.850 0.000) 18.739 5.570 ( -0.953 -10.613 0.000) 10.655 5.603 ( 2.055 -7.528 0.000) 7.803 5.747 ( 7.431 -0.052 0.000) 7.431 5.750 ( -4.736 -1.642 0.000) 5.013 5.827 ( -3.557 9.636 0.000) 10.272 5.973 ( -1.905 -0.041 0.000) 1.905 6.048 ( -3.871 1.615 0.000) 4.195 6.138 ( 3.503 5.468 0.000) 6.494 6.238 ( -4.375 7.619 0.000) 8.786 6.464 ( 5.968 -4.508 0.000) 7.479 6.534 ( -0.401 2.512 0.000) 2.543 6.597 ( 2.925 -4.689 0.000) 5.527 6.613 ( 8.943 -3.125 0.000) 9.473 6.818 ( 10.866 -2.750 0.000) 11.209 6.859 ( -4.589 -4.834 0.000) 6.666 6.930 ( -7.908 -7.973 0.000) 11.230 6.988 ( 10.129 -18.103 0.000) 20.744 7.121 ( 1.922 -3.433 0.000) 3.934 7.221 ( -1.407 -0.430 0.000) 1.472 7.226 ( 2.579 -4.525 0.000) 5.208 7.323 ( -2.214 4.454 0.000) 4.974 7.371 ( 0.626 -4.097 0.000) 4.144 7.393 ( -12.681 3.702 0.000) 13.210 7.447 ( 7.609 -8.804 0.000) 11.637 7.673 ( 4.890 -1.419 0.000) 5.092 7.746 ( 2.221 -4.584 0.000) 5.093 7.874 ( -3.402 -3.419 0.000) 4.823 8.085 ( 6.953 23.285 0.000) 24.301 8.391 ( -0.803 12.867 0.000) 12.892 8.481 ( -2.068 8.992 0.000) 9.227 8.799 ( 8.481 2.738 0.000) 8.912 8.859 ( -16.606 15.542 0.000) 22.745 9.203 ( -15.180 3.119 0.000) 15.497 9.236 ( -10.663 4.720 0.000) 11.661 9.317 ( -5.052 1.744 0.000) 5.344 9.364 ( -7.399 -0.712 0.000) 7.433 9.511 ( -4.103 -1.602 0.000) 4.405 10.061 ( 3.663 -6.203 0.000) 7.204 10.117 ( 1.296 -11.657 0.000) 11.729 10.579 ( 2.818 -0.958 0.000) 2.977 10.707 ( 5.958 2.583 0.000) 6.494 10.752 ( -5.277 3.021 0.000) 6.080 11.004 ( -7.189 -0.269 0.000) 7.194 11.299 ( 3.901 -0.535 0.000) 3.937 11.542 ( -5.116 -10.602 0.000) 11.772 11.820 ( -0.658 4.204 0.000) 4.256 12.090 ( -11.990 -0.001 0.000) 11.990 12.141 ( 11.025 -1.703 0.000) 11.156 12.341 ( 11.103 3.585 0.000) 11.668 12.420 ( 16.951 -3.835 0.000) 17.379 12.427 ( -2.157 -4.497 0.000) 4.988 12.637 ( 1.781 14.505 0.000) 14.614 12.728 ( -4.486 1.341 0.000) 4.682 12.859 ( -1.271 -9.124 0.000) 9.212 12.887 ( -2.000 -1.508 0.000) 2.505 13.485 ( -5.841 3.947 0.000) 7.050 13.575 ( -6.492 10.078 0.000) 11.988 13.705 ( 2.852 2.435 0.000) 3.750 13.725 ( -3.769 6.078 0.000) 7.151 14.347 ( 4.431 -4.298 0.000) 6.173 14.451 ( 0.196 -5.894 0.000) 5.897 14.545 ( 10.768 -12.911 0.000) 16.812 14.581 ( 1.925 0.058 0.000) 1.925 14.992 ( -0.214 -4.372 0.000) 4.377 15.012 ( -3.553 0.747 0.000) 3.630 15.110 ( 0.857 6.433 0.000) 6.489 15.193 ( -1.466 5.431 0.000) 5.625 15.222 ( 0.441 5.358 0.000) 5.376 15.449 ( -10.453 -4.488 0.000) 11.375 15.819 ( 4.945 -16.922 0.000) 17.630 15.891 ( 15.178 -30.254 0.000) 33.848 16.662 ( 14.998 18.229 0.000) 23.605 16.997 ( 1.432 1.912 0.000) 2.389 17.537 ( -2.526 2.951 0.000) 3.885 17.549 ( -3.449 2.298 0.000) 4.145 18.185 ( -1.332 3.392 0.000) 3.645 18.228 ( -0.783 0.149 0.000) 0.797 18.701 ( 5.101 -6.327 0.000) 8.127 18.904 ( -3.990 -7.817 0.000) 8.776 24.687 ( 2.977 -0.954 0.000) 3.127 24.844 ( -4.006 -1.057 0.000) 4.143 24.924 ( 24.381 -23.400 0.000) 33.793 25.251 ( 0.335 -12.223 0.000) 12.228 26.316 ( 0.550 1.402 0.000) 1.506 26.385 ( -2.203 -2.353 0.000) 3.223 26.469 ( 1.142 -2.075 0.000) 2.369 26.494 ( -0.032 -1.122 0.000) 1.123 27.915 ( 1.315 -4.405 0.000) 4.597 27.925 ( 2.059 -1.287 0.000) 2.428 28.007 ( -2.626 -2.023 0.000) 3.314 28.036 ( -2.740 -0.645 0.000) 2.815 28.151 ( 0.900 12.705 0.000) 12.737 28.209 ( -1.968 6.557 0.000) 6.846 28.373 ( 2.251 12.860 0.000) 13.056 28.559 ( -4.451 3.111 0.000) 5.430 28.750 ( 2.041 2.837 0.000) 3.495 28.837 ( -0.197 7.502 0.000) 7.505 28.849 ( -0.946 3.584 0.000) 3.707 29.210 ( -16.532 -2.060 0.000) 16.659 29.665 ( 1.412 0.122 0.000) 1.417 29.869 ( -12.185 9.926 0.000) 15.716 29.967 ( 14.397 -4.182 0.000) 14.992 29.970 ( 2.845 0.569 0.000) 2.902 30.182 ( 2.081 5.697 0.000) 6.065 30.622 ( -9.738 1.268 0.000) 9.820 30.800 ( 0.657 -4.540 0.000) 4.588 30.883 ( -5.747 -1.140 0.000) 5.859 ======================= Grid point 7 (6/72) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -32.422 10.695 0.000) 34.141 1.572 ( 32.422 10.695 0.000) 34.141 1.619 ( -26.838 21.600 0.000) 34.450 1.619 ( 26.838 21.600 0.000) 34.450 2.604 ( -39.532 26.390 0.000) 47.531 2.604 ( 39.532 26.390 0.000) 47.531 3.309 ( -7.228 -1.033 0.000) 7.302 3.309 ( 7.228 -1.033 0.000) 7.302 3.398 ( -5.499 1.814 0.000) 5.790 3.398 ( 5.499 1.814 0.000) 5.790 3.449 ( -15.391 4.584 0.000) 16.059 3.449 ( 15.391 4.584 0.000) 16.059 4.138 ( -4.790 -15.362 0.000) 16.091 4.138 ( 4.790 -15.362 0.000) 16.091 4.366 ( -3.907 -8.113 0.000) 9.005 4.366 ( 3.907 -8.113 0.000) 9.005 4.614 ( -3.963 1.223 0.000) 4.148 4.614 ( 3.963 1.223 0.000) 4.148 4.972 ( -12.841 -3.708 0.000) 13.366 4.972 ( 12.841 -3.708 0.000) 13.366 5.195 ( -1.284 -0.174 0.000) 1.296 5.195 ( 1.284 -0.174 0.000) 1.296 5.228 ( -5.737 -0.089 0.000) 5.738 5.228 ( 5.737 -0.089 0.000) 5.738 5.533 ( -9.354 -0.357 0.000) 9.360 5.533 ( 9.354 -0.357 0.000) 9.360 5.611 ( -4.462 -4.006 0.000) 5.997 5.611 ( 4.462 -4.006 0.000) 5.997 5.878 ( -2.453 1.300 0.000) 2.777 5.878 ( 2.453 1.300 0.000) 2.777 5.945 ( -4.147 2.688 0.000) 4.942 5.945 ( 4.147 2.688 0.000) 4.942 6.180 ( -1.840 6.527 0.000) 6.781 6.180 ( 1.840 6.527 0.000) 6.781 6.509 ( -1.280 2.700 0.000) 2.988 6.509 ( 1.280 2.700 0.000) 2.988 6.681 ( -2.998 -5.935 0.000) 6.650 6.681 ( 2.998 -5.935 0.000) 6.650 6.815 ( -2.907 -6.815 0.000) 7.409 6.815 ( 2.907 -6.815 0.000) 7.409 7.085 ( -15.962 -1.283 0.000) 16.014 7.085 ( 15.962 -1.283 0.000) 16.014 7.164 ( -3.609 -4.770 0.000) 5.982 7.164 ( 3.609 -4.770 0.000) 5.982 7.213 ( -8.320 -16.690 0.000) 18.649 7.213 ( 8.320 -16.690 0.000) 18.649 7.303 ( -1.026 3.261 0.000) 3.419 7.303 ( 1.026 3.261 0.000) 3.419 7.674 ( -8.146 -0.511 0.000) 8.162 7.674 ( 8.146 -0.511 0.000) 8.162 7.791 ( -3.403 -5.097 0.000) 6.129 7.791 ( 3.403 -5.097 0.000) 6.129 8.292 ( -14.194 22.404 0.000) 26.522 8.292 ( 14.194 22.404 0.000) 26.522 8.481 ( -5.919 15.756 0.000) 16.831 8.481 ( 5.919 15.756 0.000) 16.831 9.004 ( -13.293 1.448 0.000) 13.371 9.004 ( 13.293 1.448 0.000) 13.371 9.207 ( -8.261 -0.619 0.000) 8.285 9.207 ( 8.261 -0.619 0.000) 8.285 9.408 ( -6.761 -1.981 0.000) 7.046 9.408 ( 6.761 -1.981 0.000) 7.046 10.121 ( -1.556 -9.216 0.000) 9.346 10.121 ( 1.556 -9.216 0.000) 9.346 10.653 ( -5.086 0.787 0.000) 5.146 10.653 ( 5.086 0.787 0.000) 5.146 10.849 ( -8.825 0.614 0.000) 8.847 10.849 ( 8.825 0.614 0.000) 8.847 11.421 ( -7.596 -6.178 0.000) 9.791 11.421 ( 7.596 -6.178 0.000) 9.791 11.889 ( -8.243 2.918 0.000) 8.744 11.889 ( 8.243 2.918 0.000) 8.744 12.333 ( -8.490 -4.768 0.000) 9.737 12.333 ( 8.490 -4.768 0.000) 9.737 12.546 ( -9.855 6.892 0.000) 12.026 12.546 ( 9.855 6.892 0.000) 12.026 12.636 ( -7.370 2.874 0.000) 7.911 12.636 ( 7.370 2.874 0.000) 7.911 12.852 ( -1.095 -5.035 0.000) 5.152 12.852 ( 1.095 -5.035 0.000) 5.152 13.461 ( -3.568 8.127 0.000) 8.875 13.461 ( 3.568 8.127 0.000) 8.875 13.724 ( -0.454 3.315 0.000) 3.346 13.724 ( 0.454 3.315 0.000) 3.346 14.426 ( -3.229 -7.292 0.000) 7.975 14.426 ( 3.229 -7.292 0.000) 7.975 14.616 ( -0.724 -3.048 0.000) 3.133 14.616 ( 0.724 -3.048 0.000) 3.133 14.987 ( -0.175 -4.550 0.000) 4.553 14.987 ( 0.175 -4.550 0.000) 4.553 15.147 ( -3.119 6.943 0.000) 7.612 15.147 ( 3.119 6.943 0.000) 7.612 15.279 ( -6.094 4.476 0.000) 7.561 15.279 ( 6.094 4.476 0.000) 7.561 15.935 ( -5.425 -25.570 0.000) 26.139 15.935 ( 5.425 -25.570 0.000) 26.139 16.928 ( -10.922 8.445 0.000) 13.806 16.928 ( 10.922 8.445 0.000) 13.806 17.496 ( -0.383 7.239 0.000) 7.249 17.496 ( 0.383 7.239 0.000) 7.249 18.205 ( -1.777 -0.546 0.000) 1.859 18.205 ( 1.777 -0.546 0.000) 1.859 18.807 ( -6.084 -8.323 0.000) 10.309 18.807 ( 6.084 -8.323 0.000) 10.309 24.760 ( -4.635 -0.805 0.000) 4.704 24.760 ( 4.635 -0.805 0.000) 4.704 25.205 ( -7.039 -20.840 0.000) 21.996 25.205 ( 7.039 -20.840 0.000) 21.996 26.342 ( -2.148 -0.832 0.000) 2.303 26.342 ( 2.148 -0.832 0.000) 2.303 26.487 ( -0.705 -1.582 0.000) 1.732 26.487 ( 0.705 -1.582 0.000) 1.732 27.953 ( -2.787 -3.007 0.000) 4.100 27.953 ( 2.787 -3.007 0.000) 4.100 27.977 ( -3.326 -0.933 0.000) 3.455 27.977 ( 3.326 -0.933 0.000) 3.455 28.174 ( -1.632 9.949 0.000) 10.082 28.174 ( 1.632 9.949 0.000) 10.082 28.442 ( -5.552 13.275 0.000) 14.389 28.442 ( 5.552 13.275 0.000) 14.389 28.819 ( -2.545 2.729 0.000) 3.732 28.819 ( 2.545 2.729 0.000) 3.732 28.941 ( -11.682 2.229 0.000) 11.893 28.941 ( 11.682 2.229 0.000) 11.893 29.718 ( -4.789 5.201 0.000) 7.071 29.718 ( 4.789 5.201 0.000) 7.071 30.034 ( -2.995 -0.673 0.000) 3.069 30.034 ( 2.995 -0.673 0.000) 3.069 30.384 ( -15.251 1.756 0.000) 15.352 30.384 ( 15.251 1.756 0.000) 15.352 30.821 ( -1.810 -4.116 0.000) 4.496 30.821 ( 1.810 -4.116 0.000) 4.496 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 0.000 37.412 0.000) 37.412 1.810 ( 0.000 43.295 0.000) 43.295 2.546 ( 0.000 46.520 0.000) 46.520 2.613 ( 0.000 -0.536 0.000) 0.536 2.746 ( 0.000 19.162 0.000) 19.162 2.758 ( 0.000 -4.451 0.000) 4.451 2.899 ( 0.000 -26.700 0.000) 26.700 3.289 ( 0.000 24.156 0.000) 24.156 3.407 ( 0.000 -26.131 0.000) 26.131 3.444 ( 0.000 6.090 0.000) 6.090 3.530 ( 0.000 -5.242 0.000) 5.242 3.722 ( 0.000 -2.516 0.000) 2.516 3.793 ( 0.000 -25.683 0.000) 25.683 4.265 ( 0.000 4.476 0.000) 4.476 4.382 ( 0.000 -9.606 0.000) 9.606 4.387 ( 0.000 7.276 0.000) 7.276 4.589 ( 0.000 1.833 0.000) 1.833 4.671 ( 0.000 6.953 0.000) 6.953 4.879 ( 0.000 -8.014 0.000) 8.014 4.925 ( 0.000 4.249 0.000) 4.249 5.023 ( 0.000 -2.989 0.000) 2.989 5.216 ( 0.000 0.067 0.000) 0.067 5.220 ( 0.000 0.023 0.000) 0.023 5.293 ( 0.000 -0.937 0.000) 0.937 5.344 ( 0.000 -8.851 0.000) 8.851 5.387 ( 0.000 -2.046 0.000) 2.046 5.568 ( 0.000 -5.859 0.000) 5.859 5.571 ( 0.000 23.938 0.000) 23.938 5.692 ( 0.000 -9.148 0.000) 9.148 5.968 ( 0.000 0.609 0.000) 0.609 6.004 ( 0.000 0.163 0.000) 0.163 6.189 ( 0.000 6.576 0.000) 6.576 6.219 ( 0.000 -0.194 0.000) 0.194 6.297 ( 0.000 12.724 0.000) 12.724 6.376 ( 0.000 1.196 0.000) 1.196 6.430 ( 0.000 -6.662 0.000) 6.662 6.565 ( 0.000 -15.744 0.000) 15.744 6.605 ( 0.000 -1.259 0.000) 1.259 6.653 ( 0.000 3.317 0.000) 3.317 6.718 ( 0.000 3.428 0.000) 3.428 6.839 ( 0.000 -3.397 0.000) 3.397 6.895 ( 0.000 -7.180 0.000) 7.180 6.951 ( 0.000 -9.817 0.000) 9.817 7.035 ( 0.000 -3.973 0.000) 3.973 7.160 ( 0.000 -10.209 0.000) 10.209 7.179 ( 0.000 -3.864 0.000) 3.864 7.377 ( 0.000 3.280 0.000) 3.280 7.440 ( 0.000 1.816 0.000) 1.816 7.529 ( 0.000 -4.193 0.000) 4.193 7.590 ( 0.000 -7.216 0.000) 7.216 7.703 ( 0.000 10.109 0.000) 10.109 7.877 ( 0.000 0.550 0.000) 0.550 8.494 ( 0.000 17.917 0.000) 17.917 8.642 ( 0.000 4.244 0.000) 4.244 8.655 ( 0.000 11.236 0.000) 11.236 8.853 ( 0.000 13.137 0.000) 13.137 9.024 ( 0.000 -8.073 0.000) 8.073 9.082 ( 0.000 10.880 0.000) 10.880 9.455 ( 0.000 1.816 0.000) 1.816 9.492 ( 0.000 -4.587 0.000) 4.587 9.492 ( 0.000 2.550 0.000) 2.550 9.560 ( 0.000 -8.783 0.000) 8.783 9.796 ( 0.000 -16.504 0.000) 16.504 9.829 ( 0.000 -14.743 0.000) 14.743 10.502 ( 0.000 -1.252 0.000) 1.252 10.630 ( 0.000 -5.668 0.000) 5.668 10.945 ( 0.000 5.347 0.000) 5.347 11.064 ( 0.000 -1.048 0.000) 1.048 11.486 ( 0.000 7.712 0.000) 7.712 11.508 ( 0.000 4.422 0.000) 4.422 11.779 ( 0.000 -6.120 0.000) 6.120 11.975 ( 0.000 -14.707 0.000) 14.707 12.045 ( 0.000 4.746 0.000) 4.746 12.130 ( 0.000 0.912 0.000) 0.912 12.295 ( 0.000 5.042 0.000) 5.042 12.598 ( 0.000 10.747 0.000) 10.747 12.646 ( 0.000 -11.055 0.000) 11.055 12.778 ( 0.000 3.214 0.000) 3.214 12.872 ( 0.000 4.109 0.000) 4.109 12.877 ( 0.000 -1.951 0.000) 1.951 13.601 ( 0.000 2.307 0.000) 2.307 13.725 ( 0.000 2.534 0.000) 2.534 13.757 ( 0.000 6.547 0.000) 6.547 14.052 ( 0.000 -7.779 0.000) 7.779 14.054 ( 0.000 4.834 0.000) 4.834 14.247 ( 0.000 -3.544 0.000) 3.544 14.404 ( 0.000 1.410 0.000) 1.410 14.562 ( 0.000 -0.818 0.000) 0.818 14.897 ( 0.000 -3.916 0.000) 3.916 15.156 ( 0.000 -13.620 0.000) 13.620 15.172 ( 0.000 3.727 0.000) 3.727 15.193 ( 0.000 5.680 0.000) 5.680 15.287 ( 0.000 -0.215 0.000) 0.215 15.378 ( 0.000 4.817 0.000) 4.817 15.439 ( 0.000 -3.732 0.000) 3.732 15.638 ( 0.000 -7.267 0.000) 7.267 16.955 ( 0.000 20.431 0.000) 20.431 17.041 ( 0.000 4.382 0.000) 4.382 17.355 ( 0.000 -10.149 0.000) 10.149 17.529 ( 0.000 -5.896 0.000) 5.896 18.306 ( 0.000 6.794 0.000) 6.794 18.374 ( 0.000 6.435 0.000) 6.435 18.585 ( 0.000 -3.554 0.000) 3.554 18.742 ( 0.000 -11.434 0.000) 11.434 24.575 ( 0.000 1.310 0.000) 1.310 24.637 ( 0.000 -1.451 0.000) 1.451 24.867 ( 0.000 0.121 0.000) 0.121 25.043 ( 0.000 -8.827 0.000) 8.827 26.366 ( 0.000 2.903 0.000) 2.903 26.374 ( 0.000 -0.823 0.000) 0.823 26.403 ( 0.000 -2.077 0.000) 2.077 26.469 ( 0.000 -1.649 0.000) 1.649 27.841 ( 0.000 -1.133 0.000) 1.133 27.874 ( 0.000 -1.701 0.000) 1.701 28.016 ( 0.000 -0.060 0.000) 0.060 28.047 ( 0.000 -0.984 0.000) 0.984 28.333 ( 0.000 5.024 0.000) 5.024 28.429 ( 0.000 12.089 0.000) 12.089 28.513 ( 0.000 -3.451 0.000) 3.451 28.554 ( 0.000 6.397 0.000) 6.397 28.786 ( 0.000 2.197 0.000) 2.197 28.869 ( 0.000 -1.289 0.000) 1.289 28.968 ( 0.000 7.039 0.000) 7.039 29.306 ( 0.000 -7.838 0.000) 7.838 29.655 ( 0.000 -1.375 0.000) 1.375 29.665 ( 0.000 -1.970 0.000) 1.970 29.944 ( 0.000 0.734 0.000) 0.734 30.012 ( 0.000 -2.476 0.000) 2.476 30.315 ( 0.000 7.966 0.000) 7.966 30.668 ( 0.000 -7.661 0.000) 7.661 30.763 ( 0.000 2.894 0.000) 2.894 30.922 ( 0.000 -4.249 0.000) 4.249 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 11.373 33.360 0.000) 35.245 1.905 ( 9.808 38.677 0.000) 39.901 2.324 ( -20.321 11.321 0.000) 23.261 2.478 ( -13.696 25.313 0.000) 28.781 2.802 ( 14.514 32.749 0.000) 35.821 2.925 ( 7.652 -15.764 0.000) 17.523 2.938 ( 3.403 -20.452 0.000) 20.733 3.361 ( -6.508 -3.521 0.000) 7.399 3.391 ( 5.542 8.024 0.000) 9.751 3.408 ( -2.641 -7.971 0.000) 8.397 3.513 ( 2.338 2.954 0.000) 3.767 3.722 ( 0.577 -4.775 0.000) 4.810 3.788 ( -0.488 -20.543 0.000) 20.549 4.158 ( -8.850 5.427 0.000) 10.381 4.249 ( -18.001 7.276 0.000) 19.416 4.336 ( -4.925 -8.549 0.000) 9.866 4.647 ( 12.652 2.654 0.000) 12.928 4.672 ( 0.720 7.924 0.000) 7.957 4.793 ( -2.129 4.369 0.000) 4.860 5.044 ( 0.657 -5.612 0.000) 5.650 5.113 ( 9.182 -2.257 0.000) 9.456 5.144 ( -4.468 3.493 0.000) 5.671 5.282 ( 4.028 1.180 0.000) 4.198 5.284 ( -1.198 -0.025 0.000) 1.198 5.331 ( -3.152 -6.669 0.000) 7.377 5.398 ( 3.319 -10.407 0.000) 10.924 5.439 ( -1.476 -1.389 0.000) 2.027 5.642 ( -5.447 -9.183 0.000) 10.678 5.840 ( 13.183 10.336 0.000) 16.752 5.979 ( -1.066 5.191 0.000) 5.300 6.011 ( 3.024 3.260 0.000) 4.447 6.142 ( -4.290 7.446 0.000) 8.593 6.298 ( 1.703 7.819 0.000) 8.002 6.331 ( 8.103 -3.401 0.000) 8.788 6.366 ( -1.476 4.061 0.000) 4.321 6.456 ( 1.797 -7.197 0.000) 7.418 6.559 ( 0.227 -13.298 0.000) 13.300 6.582 ( -1.526 -3.745 0.000) 4.044 6.698 ( -5.348 -6.545 0.000) 8.452 6.717 ( 6.210 -3.559 0.000) 7.157 6.759 ( -6.848 -1.552 0.000) 7.022 6.849 ( 7.420 2.525 0.000) 7.838 7.032 ( -0.276 -5.684 0.000) 5.691 7.052 ( -3.687 -8.093 0.000) 8.894 7.143 ( 0.766 -8.441 0.000) 8.476 7.219 ( 6.640 -5.334 0.000) 8.517 7.389 ( -4.722 3.092 0.000) 5.644 7.446 ( 8.855 3.027 0.000) 9.358 7.519 ( -7.586 2.698 0.000) 8.052 7.628 ( 2.995 -6.147 0.000) 6.838 7.647 ( -0.309 2.648 0.000) 2.666 7.837 ( -5.164 -1.311 0.000) 5.328 8.558 ( 7.332 17.970 0.000) 19.408 8.656 ( 1.273 7.359 0.000) 7.468 8.665 ( 0.763 12.704 0.000) 12.727 8.897 ( 4.978 9.076 0.000) 10.351 9.034 ( 2.710 -0.009 0.000) 2.710 9.120 ( -2.603 2.097 0.000) 3.342 9.329 ( -18.820 -0.363 0.000) 18.824 9.352 ( -8.507 -0.874 0.000) 8.551 9.368 ( -9.855 3.340 0.000) 10.406 9.469 ( -3.763 -1.820 0.000) 4.180 9.822 ( 1.377 -15.547 0.000) 15.608 9.825 ( 2.161 -16.700 0.000) 16.839 10.550 ( 5.001 -0.288 0.000) 5.009 10.689 ( 6.194 -4.496 0.000) 7.654 10.844 ( -8.988 5.205 0.000) 10.386 10.993 ( -7.024 -1.554 0.000) 7.194 11.392 ( -1.751 8.668 0.000) 8.843 11.482 ( -2.688 4.729 0.000) 5.440 11.817 ( -0.335 -6.971 0.000) 6.979 11.929 ( -4.554 -12.845 0.000) 13.629 12.143 ( 9.203 5.308 0.000) 10.624 12.354 ( 18.678 -0.837 0.000) 18.697 12.440 ( 12.941 2.811 0.000) 13.243 12.492 ( -8.479 8.989 0.000) 12.357 12.661 ( 1.791 -9.493 0.000) 9.660 12.766 ( -4.315 1.910 0.000) 4.718 12.836 ( -4.477 -3.103 0.000) 5.447 12.845 ( -3.337 3.549 0.000) 4.872 13.585 ( 0.574 6.741 0.000) 6.765 13.761 ( -0.956 7.796 0.000) 7.854 13.771 ( 3.411 2.091 0.000) 4.001 13.863 ( -7.291 6.263 0.000) 9.611 14.239 ( 3.400 -5.692 0.000) 6.630 14.317 ( 10.676 -8.653 0.000) 13.743 14.371 ( -3.397 -0.644 0.000) 3.458 14.559 ( -1.097 -3.319 0.000) 3.496 14.904 ( 1.526 -1.598 0.000) 2.209 15.089 ( -6.641 6.213 0.000) 9.094 15.209 ( 4.588 -9.379 0.000) 10.441 15.231 ( 2.901 4.846 0.000) 5.648 15.292 ( 1.478 1.587 0.000) 2.168 15.372 ( -0.643 2.610 0.000) 2.688 15.486 ( 2.037 -13.223 0.000) 13.379 15.571 ( -6.006 -7.147 0.000) 9.335 17.024 ( 6.149 16.670 0.000) 17.768 17.077 ( 3.410 5.782 0.000) 6.712 17.430 ( 6.054 -9.645 0.000) 11.388 17.526 ( -0.453 -5.200 0.000) 5.220 18.289 ( -1.489 6.452 0.000) 6.622 18.319 ( -4.418 7.695 0.000) 8.873 18.589 ( 0.711 -5.319 0.000) 5.366 18.703 ( -3.847 -11.026 0.000) 11.677 24.663 ( 4.412 -1.155 0.000) 4.561 24.697 ( 9.670 -3.955 0.000) 10.448 24.830 ( -3.692 0.204 0.000) 3.697 25.010 ( -3.903 -9.721 0.000) 10.475 26.361 ( -0.405 2.695 0.000) 2.726 26.363 ( -0.704 0.151 0.000) 0.720 26.422 ( 1.467 -2.277 0.000) 2.708 26.464 ( -0.560 -1.855 0.000) 1.938 27.861 ( 2.139 -0.952 0.000) 2.341 27.895 ( 2.218 -1.648 0.000) 2.763 27.984 ( -3.206 -0.238 0.000) 3.215 28.016 ( -3.064 -1.168 0.000) 3.279 28.338 ( 0.646 6.013 0.000) 6.048 28.403 ( -2.325 10.728 0.000) 10.977 28.536 ( 2.014 -3.157 0.000) 3.745 28.566 ( 0.754 4.749 0.000) 4.809 28.805 ( 2.380 2.881 0.000) 3.737 28.898 ( 2.978 -0.275 0.000) 2.990 28.947 ( -2.354 5.418 0.000) 5.907 29.149 ( -11.642 -3.866 0.000) 12.267 29.688 ( 6.272 2.464 0.000) 6.739 29.870 ( 12.763 -5.088 0.000) 13.740 29.957 ( -1.597 1.249 0.000) 2.027 29.985 ( -0.602 0.238 0.000) 0.647 30.325 ( 2.161 8.013 0.000) 8.299 30.668 ( -9.802 3.096 0.000) 10.280 30.672 ( 0.720 -7.627 0.000) 7.661 30.828 ( -7.893 -3.820 0.000) 8.769 ======================= Grid point 12 (9/72) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( -18.213 22.398 0.000) 28.868 1.918 ( 18.213 22.398 0.000) 28.868 2.182 ( -14.998 31.229 0.000) 34.644 2.182 ( 14.998 31.229 0.000) 34.644 2.980 ( -1.453 -23.014 0.000) 23.059 2.980 ( 1.453 -23.014 0.000) 23.059 3.146 ( -16.789 21.330 0.000) 27.145 3.146 ( 16.789 21.330 0.000) 27.145 3.385 ( -1.015 -13.455 0.000) 13.493 3.385 ( 1.015 -13.455 0.000) 13.493 3.712 ( -8.805 8.438 0.000) 12.195 3.712 ( 8.805 8.438 0.000) 12.195 3.806 ( -9.799 -2.608 0.000) 10.140 3.806 ( 9.799 -2.608 0.000) 10.140 4.231 ( -5.132 -3.821 0.000) 6.399 4.231 ( 5.132 -3.821 0.000) 6.399 4.705 ( -2.483 6.716 0.000) 7.161 4.705 ( 2.483 6.716 0.000) 7.161 4.923 ( -11.263 -0.262 0.000) 11.266 4.923 ( 11.263 -0.262 0.000) 11.266 5.186 ( -5.602 -0.163 0.000) 5.604 5.186 ( 5.602 -0.163 0.000) 5.604 5.239 ( -3.336 1.343 0.000) 3.596 5.239 ( 3.336 1.343 0.000) 3.596 5.409 ( -2.899 -10.317 0.000) 10.717 5.409 ( 2.899 -10.317 0.000) 10.717 5.505 ( -8.005 -6.924 0.000) 10.584 5.505 ( 8.005 -6.924 0.000) 10.584 5.964 ( -0.862 6.584 0.000) 6.640 5.964 ( 0.862 6.584 0.000) 6.640 6.079 ( -2.623 8.805 0.000) 9.187 6.079 ( 2.623 8.805 0.000) 9.187 6.315 ( -2.235 6.570 0.000) 6.940 6.315 ( 2.235 6.570 0.000) 6.940 6.456 ( -3.206 -8.569 0.000) 9.149 6.456 ( 3.206 -8.569 0.000) 9.149 6.597 ( -2.811 -12.525 0.000) 12.837 6.597 ( 2.811 -12.525 0.000) 12.837 6.625 ( -4.611 -1.510 0.000) 4.852 6.625 ( 4.611 -1.510 0.000) 4.852 6.888 ( -10.368 -8.004 0.000) 13.098 6.888 ( 10.368 -8.004 0.000) 13.098 7.018 ( -3.270 -5.685 0.000) 6.558 7.018 ( 3.270 -5.685 0.000) 6.558 7.211 ( -11.272 5.463 0.000) 12.526 7.211 ( 11.272 5.463 0.000) 12.526 7.367 ( -7.136 1.911 0.000) 7.388 7.367 ( 7.136 1.911 0.000) 7.388 7.648 ( -5.293 -2.067 0.000) 5.682 7.648 ( 5.293 -2.067 0.000) 5.682 7.682 ( -7.619 -4.774 0.000) 8.991 7.682 ( 7.619 -4.774 0.000) 8.991 8.668 ( -0.704 14.176 0.000) 14.194 8.668 ( 0.704 14.176 0.000) 14.194 8.803 ( -19.054 12.938 0.000) 23.032 8.803 ( 19.054 12.938 0.000) 23.032 9.033 ( -8.362 2.309 0.000) 8.675 9.033 ( 8.362 2.309 0.000) 8.675 9.196 ( -6.298 -0.512 0.000) 6.319 9.196 ( 6.298 -0.512 0.000) 6.319 9.374 ( -5.623 -0.204 0.000) 5.627 9.374 ( 5.623 -0.204 0.000) 5.627 9.845 ( -0.300 -17.053 0.000) 17.055 9.845 ( 0.300 -17.053 0.000) 17.055 10.677 ( -8.506 2.637 0.000) 8.905 10.677 ( 8.506 2.637 0.000) 8.905 10.837 ( -9.150 -2.705 0.000) 9.541 10.837 ( 9.150 -2.705 0.000) 9.541 11.421 ( -3.360 6.083 0.000) 6.949 11.421 ( 3.360 6.083 0.000) 6.949 11.842 ( -3.725 -8.835 0.000) 9.588 11.842 ( 3.725 -8.835 0.000) 9.588 12.325 ( -9.726 6.334 0.000) 11.607 12.325 ( 9.726 6.334 0.000) 11.607 12.630 ( -10.903 3.085 0.000) 11.331 12.630 ( 10.903 3.085 0.000) 11.331 12.700 ( -12.799 -0.221 0.000) 12.801 12.700 ( 12.799 -0.221 0.000) 12.801 12.724 ( -5.460 -6.524 0.000) 8.508 12.724 ( 5.460 -6.524 0.000) 8.508 13.660 ( -6.934 10.191 0.000) 12.326 13.660 ( 6.934 10.191 0.000) 12.326 13.816 ( -1.168 4.420 0.000) 4.572 13.816 ( 1.168 4.420 0.000) 4.572 14.297 ( -3.958 -4.017 0.000) 5.639 14.297 ( 3.958 -4.017 0.000) 5.639 14.491 ( -6.797 -8.813 0.000) 11.130 14.491 ( 6.797 -8.813 0.000) 11.130 14.971 ( -5.568 3.826 0.000) 6.756 14.971 ( 5.568 3.826 0.000) 6.756 15.266 ( -0.393 2.413 0.000) 2.445 15.266 ( 0.393 2.413 0.000) 2.445 15.343 ( -3.179 1.617 0.000) 3.567 15.343 ( 3.179 1.617 0.000) 3.567 15.493 ( -0.809 -15.583 0.000) 15.604 15.493 ( 0.809 -15.583 0.000) 15.604 17.110 ( -1.489 9.696 0.000) 9.810 17.110 ( 1.489 9.696 0.000) 9.810 17.507 ( -2.032 -5.953 0.000) 6.290 17.507 ( 2.032 -5.953 0.000) 6.290 18.271 ( -0.290 6.943 0.000) 6.949 18.271 ( 0.290 6.943 0.000) 6.949 18.627 ( -3.581 -8.863 0.000) 9.559 18.627 ( 3.581 -8.863 0.000) 9.559 24.747 ( -4.929 -0.122 0.000) 4.931 24.747 ( 4.929 -0.122 0.000) 4.931 24.890 ( -9.203 -9.657 0.000) 13.340 24.890 ( 9.203 -9.657 0.000) 13.340 26.356 ( -0.014 1.736 0.000) 1.736 26.356 ( 0.014 1.736 0.000) 1.736 26.448 ( -1.200 -2.196 0.000) 2.503 26.448 ( 1.200 -2.196 0.000) 2.503 27.916 ( -3.688 -0.576 0.000) 3.733 27.916 ( 3.688 -0.576 0.000) 3.733 27.951 ( -3.638 -1.466 0.000) 3.922 27.951 ( 3.638 -1.466 0.000) 3.922 28.361 ( -1.910 8.247 0.000) 8.465 28.361 ( 1.910 8.247 0.000) 8.465 28.566 ( -0.887 0.169 0.000) 0.903 28.566 ( 0.887 0.169 0.000) 0.903 28.878 ( -4.891 3.053 0.000) 5.765 28.878 ( 4.891 3.053 0.000) 5.765 28.978 ( -6.268 0.154 0.000) 6.270 28.978 ( 6.268 0.154 0.000) 6.270 29.838 ( -8.792 5.594 0.000) 10.420 29.838 ( 8.792 5.594 0.000) 10.420 30.003 ( -1.089 -2.431 0.000) 2.664 30.003 ( 1.089 -2.431 0.000) 2.664 30.453 ( -11.566 4.918 0.000) 12.568 30.453 ( 11.566 4.918 0.000) 12.568 30.711 ( -4.051 -6.329 0.000) 7.514 30.711 ( 4.051 -6.329 0.000) 7.514 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 0.000 -34.187 0.000) 34.187 2.265 ( 0.000 34.187 0.000) 34.187 2.579 ( 0.000 -13.817 0.000) 13.817 2.579 ( 0.000 13.817 0.000) 13.817 2.751 ( 0.000 -22.542 0.000) 22.542 2.751 ( 0.000 22.542 0.000) 22.542 3.178 ( 0.000 -5.061 0.000) 5.061 3.178 ( 0.000 5.061 0.000) 5.061 3.273 ( 0.000 -2.027 0.000) 2.027 3.273 ( 0.000 2.027 0.000) 2.027 3.599 ( 0.000 -7.747 0.000) 7.747 3.599 ( 0.000 7.747 0.000) 7.747 3.945 ( 0.000 -30.790 0.000) 30.790 3.945 ( 0.000 30.790 0.000) 30.790 4.480 ( 0.000 -11.184 0.000) 11.184 4.480 ( 0.000 11.184 0.000) 11.184 4.640 ( 0.000 -13.505 0.000) 13.505 4.640 ( 0.000 13.505 0.000) 13.505 4.870 ( 0.000 -10.503 0.000) 10.503 4.870 ( 0.000 10.503 0.000) 10.503 5.074 ( 0.000 -9.876 0.000) 9.876 5.074 ( 0.000 9.876 0.000) 9.876 5.247 ( 0.000 -1.381 0.000) 1.381 5.247 ( 0.000 1.381 0.000) 1.381 5.429 ( 0.000 -13.653 0.000) 13.653 5.429 ( 0.000 13.653 0.000) 13.653 5.450 ( 0.000 -5.457 0.000) 5.457 5.450 ( 0.000 5.457 0.000) 5.457 5.996 ( 0.000 -1.043 0.000) 1.043 5.996 ( 0.000 1.043 0.000) 1.043 6.065 ( 0.000 -20.650 0.000) 20.650 6.065 ( 0.000 20.650 0.000) 20.650 6.300 ( 0.000 -8.639 0.000) 8.639 6.300 ( 0.000 8.639 0.000) 8.639 6.386 ( 0.000 -1.084 0.000) 1.084 6.386 ( 0.000 1.084 0.000) 1.084 6.542 ( 0.000 -10.456 0.000) 10.456 6.542 ( 0.000 10.456 0.000) 10.456 6.619 ( 0.000 -7.949 0.000) 7.949 6.619 ( 0.000 7.949 0.000) 7.949 6.876 ( 0.000 -0.908 0.000) 0.908 6.876 ( 0.000 0.908 0.000) 0.908 6.919 ( 0.000 -7.051 0.000) 7.051 6.919 ( 0.000 7.051 0.000) 7.051 7.075 ( 0.000 -3.079 0.000) 3.079 7.075 ( 0.000 3.079 0.000) 3.079 7.462 ( 0.000 -5.062 0.000) 5.062 7.462 ( 0.000 5.062 0.000) 5.062 7.467 ( 0.000 -1.683 0.000) 1.683 7.467 ( 0.000 1.683 0.000) 1.683 7.856 ( 0.000 -3.884 0.000) 3.884 7.856 ( 0.000 3.884 0.000) 3.884 8.668 ( 0.000 -2.083 0.000) 2.083 8.668 ( 0.000 2.083 0.000) 2.083 8.853 ( 0.000 -8.585 0.000) 8.585 8.853 ( 0.000 8.585 0.000) 8.585 9.255 ( 0.000 -20.309 0.000) 20.309 9.255 ( 0.000 20.309 0.000) 20.309 9.343 ( 0.000 -12.852 0.000) 12.852 9.343 ( 0.000 12.852 0.000) 12.852 9.530 ( 0.000 -6.498 0.000) 6.498 9.530 ( 0.000 6.498 0.000) 6.498 9.583 ( 0.000 -7.640 0.000) 7.640 9.583 ( 0.000 7.640 0.000) 7.640 10.521 ( 0.000 -3.437 0.000) 3.437 10.521 ( 0.000 3.437 0.000) 3.437 11.029 ( 0.000 -2.721 0.000) 2.721 11.029 ( 0.000 2.721 0.000) 2.721 11.641 ( 0.000 -7.244 0.000) 7.244 11.641 ( 0.000 7.244 0.000) 7.244 11.694 ( 0.000 -12.149 0.000) 12.149 11.694 ( 0.000 12.149 0.000) 12.149 12.118 ( 0.000 -2.151 0.000) 2.151 12.118 ( 0.000 2.151 0.000) 2.151 12.439 ( 0.000 -8.840 0.000) 8.840 12.439 ( 0.000 8.840 0.000) 8.840 12.809 ( 0.000 -7.589 0.000) 7.589 12.809 ( 0.000 7.589 0.000) 7.589 12.833 ( 0.000 -1.431 0.000) 1.431 12.833 ( 0.000 1.431 0.000) 1.431 13.696 ( 0.000 -4.700 0.000) 4.700 13.696 ( 0.000 4.700 0.000) 4.700 13.895 ( 0.000 -7.228 0.000) 7.228 13.895 ( 0.000 7.228 0.000) 7.228 14.159 ( 0.000 -4.950 0.000) 4.950 14.159 ( 0.000 4.950 0.000) 4.950 14.492 ( 0.000 -5.610 0.000) 5.610 14.492 ( 0.000 5.610 0.000) 5.610 14.922 ( 0.000 -7.236 0.000) 7.236 14.922 ( 0.000 7.236 0.000) 7.236 15.233 ( 0.000 -1.857 0.000) 1.857 15.233 ( 0.000 1.857 0.000) 1.857 15.343 ( 0.000 -5.260 0.000) 5.260 15.343 ( 0.000 5.260 0.000) 5.260 15.500 ( 0.000 -6.277 0.000) 6.277 15.500 ( 0.000 6.277 0.000) 6.277 17.166 ( 0.000 -7.839 0.000) 7.839 17.166 ( 0.000 7.839 0.000) 7.839 17.316 ( 0.000 -14.403 0.000) 14.403 17.316 ( 0.000 14.403 0.000) 14.403 18.495 ( 0.000 -5.206 0.000) 5.206 18.495 ( 0.000 5.206 0.000) 5.206 18.501 ( 0.000 -11.386 0.000) 11.386 18.501 ( 0.000 11.386 0.000) 11.386 24.605 ( 0.000 -1.593 0.000) 1.593 24.605 ( 0.000 1.593 0.000) 1.593 24.908 ( 0.000 -4.198 0.000) 4.198 24.908 ( 0.000 4.198 0.000) 4.198 26.374 ( 0.000 -0.736 0.000) 0.736 26.374 ( 0.000 0.736 0.000) 0.736 26.425 ( 0.000 -2.624 0.000) 2.624 26.425 ( 0.000 2.624 0.000) 2.624 27.843 ( 0.000 -1.067 0.000) 1.067 27.843 ( 0.000 1.067 0.000) 1.067 28.026 ( 0.000 -0.906 0.000) 0.906 28.026 ( 0.000 0.906 0.000) 0.906 28.431 ( 0.000 -4.461 0.000) 4.461 28.431 ( 0.000 4.461 0.000) 4.461 28.590 ( 0.000 -3.120 0.000) 3.120 28.590 ( 0.000 3.120 0.000) 3.120 28.833 ( 0.000 -2.152 0.000) 2.152 28.833 ( 0.000 2.152 0.000) 2.152 29.134 ( 0.000 -8.665 0.000) 8.665 29.134 ( 0.000 8.665 0.000) 8.665 29.640 ( 0.000 -0.223 0.000) 0.223 29.640 ( 0.000 0.223 0.000) 0.223 29.968 ( 0.000 -1.661 0.000) 1.661 29.968 ( 0.000 1.661 0.000) 1.661 30.493 ( 0.000 -8.981 0.000) 8.981 30.493 ( 0.000 8.981 0.000) 8.981 30.835 ( 0.000 -4.024 0.000) 4.024 30.835 ( 0.000 4.024 0.000) 4.024 ======================= Grid point 17 (11/72) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 5.124 -32.237 0.000) 32.642 2.314 ( 5.124 32.237 0.000) 32.642 2.554 ( -3.807 -19.827 0.000) 20.190 2.554 ( -3.807 19.827 0.000) 20.190 2.756 ( 2.014 -33.635 0.000) 33.695 2.756 ( 2.014 33.635 0.000) 33.695 3.027 ( -10.374 -26.189 0.000) 28.169 3.027 ( -10.374 26.189 0.000) 28.169 3.392 ( 7.312 -20.496 0.000) 21.762 3.392 ( 7.312 20.496 0.000) 21.762 3.579 ( -2.358 -8.949 0.000) 9.255 3.579 ( -2.358 8.949 0.000) 9.255 3.990 ( 4.726 -25.231 0.000) 25.670 3.990 ( 4.726 25.231 0.000) 25.670 4.306 ( -11.688 -5.524 0.000) 12.927 4.306 ( -11.688 5.524 0.000) 12.927 4.786 ( 8.180 -7.786 0.000) 11.293 4.786 ( 8.180 7.786 0.000) 11.293 4.874 ( 0.336 -10.636 0.000) 10.642 4.874 ( 0.336 10.636 0.000) 10.642 5.125 ( 5.143 -7.407 0.000) 9.017 5.125 ( 5.143 7.407 0.000) 9.017 5.247 ( -0.439 -4.785 0.000) 4.805 5.247 ( -0.439 4.785 0.000) 4.805 5.374 ( -5.467 -4.386 0.000) 7.009 5.374 ( -5.467 4.386 0.000) 7.009 5.399 ( -3.021 -11.981 0.000) 12.356 5.399 ( -3.021 11.981 0.000) 12.356 6.052 ( 4.986 -0.748 0.000) 5.042 6.052 ( 4.986 0.748 0.000) 5.042 6.122 ( 3.635 -14.728 0.000) 15.170 6.122 ( 3.635 14.728 0.000) 15.170 6.315 ( 2.061 -6.117 0.000) 6.455 6.315 ( 2.061 6.117 0.000) 6.455 6.365 ( -1.279 -7.958 0.000) 8.060 6.365 ( -1.279 7.958 0.000) 8.060 6.524 ( -2.135 -10.441 0.000) 10.657 6.524 ( -2.135 10.441 0.000) 10.657 6.584 ( -4.210 -8.650 0.000) 9.620 6.584 ( -4.210 8.650 0.000) 9.620 6.891 ( -1.639 -7.717 0.000) 7.889 6.891 ( -1.639 7.717 0.000) 7.889 6.923 ( 1.204 -5.063 0.000) 5.205 6.923 ( 1.204 5.063 0.000) 5.205 7.104 ( 7.572 -4.989 0.000) 9.068 7.104 ( 7.572 4.989 0.000) 9.068 7.466 ( -1.543 -4.245 0.000) 4.517 7.466 ( -1.543 4.245 0.000) 4.517 7.519 ( 5.082 -4.269 0.000) 6.637 7.519 ( 5.082 4.269 0.000) 6.637 7.772 ( -8.246 -5.543 0.000) 9.936 7.772 ( -8.246 5.543 0.000) 9.936 8.722 ( 5.899 -1.790 0.000) 6.165 8.722 ( 5.899 1.790 0.000) 6.165 8.889 ( 2.922 -9.256 0.000) 9.706 8.889 ( 2.922 9.256 0.000) 9.706 9.217 ( -3.756 -15.241 0.000) 15.697 9.217 ( -3.756 15.241 0.000) 15.697 9.273 ( -8.726 -5.581 0.000) 10.358 9.273 ( -8.726 5.581 0.000) 10.358 9.509 ( -3.804 -12.409 0.000) 12.979 9.509 ( -3.804 12.409 0.000) 12.979 9.518 ( -1.183 -8.963 0.000) 9.040 9.518 ( -1.183 8.963 0.000) 9.040 10.589 ( 7.012 -3.969 0.000) 8.058 10.589 ( 7.012 3.969 0.000) 8.058 10.938 ( -8.582 -3.713 0.000) 9.351 10.938 ( -8.582 3.713 0.000) 9.351 11.607 ( -1.632 -11.436 0.000) 11.552 11.607 ( -1.632 11.436 0.000) 11.552 11.666 ( -2.752 -11.785 0.000) 12.102 11.666 ( -2.752 11.785 0.000) 12.102 12.291 ( 14.273 -6.345 0.000) 15.620 12.291 ( 14.273 6.345 0.000) 15.620 12.505 ( 7.203 -4.745 0.000) 8.625 12.505 ( 7.203 4.745 0.000) 8.625 12.690 ( -8.471 -8.722 0.000) 12.159 12.690 ( -8.471 8.722 0.000) 12.159 12.837 ( -3.890 -2.454 0.000) 4.599 12.837 ( -3.890 2.454 0.000) 4.599 13.732 ( 3.950 -5.805 0.000) 7.022 13.732 ( 3.950 5.805 0.000) 7.022 13.895 ( -1.388 -4.139 0.000) 4.366 13.895 ( -1.388 4.139 0.000) 4.366 14.193 ( 4.499 -2.922 0.000) 5.365 14.193 ( 4.499 2.922 0.000) 5.365 14.441 ( -5.233 -6.473 0.000) 8.323 14.441 ( -5.233 6.473 0.000) 8.323 14.986 ( 6.329 -8.969 0.000) 10.977 14.986 ( 6.329 8.969 0.000) 10.977 15.245 ( -1.835 -7.913 0.000) 8.123 15.245 ( -1.835 7.913 0.000) 8.123 15.306 ( -0.573 -2.765 0.000) 2.824 15.306 ( -0.573 2.765 0.000) 2.824 15.462 ( -3.905 -4.649 0.000) 6.072 15.462 ( -3.905 4.649 0.000) 6.072 17.231 ( 5.846 -8.988 0.000) 10.722 17.231 ( 5.846 8.988 0.000) 10.722 17.332 ( 1.088 -12.892 0.000) 12.938 17.332 ( 1.088 12.892 0.000) 12.938 18.468 ( -2.290 -6.591 0.000) 6.977 18.468 ( -2.290 6.591 0.000) 6.977 18.475 ( -2.346 -10.737 0.000) 10.990 18.475 ( -2.346 10.737 0.000) 10.990 24.657 ( 5.215 -0.723 0.000) 5.265 24.657 ( 5.215 0.723 0.000) 5.265 24.870 ( -4.000 -4.077 0.000) 5.712 24.870 ( -4.000 4.077 0.000) 5.712 26.382 ( 0.792 -1.549 0.000) 1.740 26.382 ( 0.792 1.549 0.000) 1.740 26.418 ( -0.729 -2.615 0.000) 2.715 26.418 ( -0.729 2.615 0.000) 2.715 27.865 ( 2.291 -1.073 0.000) 2.530 27.865 ( 2.291 1.073 0.000) 2.530 27.993 ( -3.308 -0.962 0.000) 3.445 27.993 ( -3.308 0.962 0.000) 3.445 28.451 ( 2.123 -4.935 0.000) 5.373 28.451 ( 2.123 4.935 0.000) 5.373 28.564 ( -2.647 -4.479 0.000) 5.203 28.564 ( -2.647 4.479 0.000) 5.203 28.864 ( 3.210 -2.587 0.000) 4.122 28.864 ( 3.210 2.587 0.000) 4.122 29.055 ( -6.484 -5.051 0.000) 8.220 29.055 ( -6.484 5.051 0.000) 8.220 29.766 ( 10.826 -4.817 0.000) 11.850 29.766 ( 10.826 4.817 0.000) 11.850 29.976 ( 0.246 -0.802 0.000) 0.839 29.976 ( 0.246 0.802 0.000) 0.839 30.501 ( 1.320 -8.788 0.000) 8.887 30.501 ( 1.320 8.788 0.000) 8.887 30.743 ( -8.911 -4.110 0.000) 9.813 30.743 ( -8.911 4.110 0.000) 9.813 ======================= Grid point 19 (12/72) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( -7.620 -26.415 0.000) 27.492 2.438 ( 7.620 -26.415 0.000) 27.492 2.438 ( -7.620 26.415 0.000) 27.492 2.438 ( 7.620 26.415 0.000) 27.492 2.852 ( -7.997 -30.658 0.000) 31.684 2.852 ( 7.997 -30.658 0.000) 31.684 2.852 ( -7.997 30.658 0.000) 31.684 2.852 ( 7.997 30.658 0.000) 31.684 3.509 ( -5.258 -13.588 0.000) 14.569 3.509 ( 5.258 -13.588 0.000) 14.569 3.509 ( -5.258 13.588 0.000) 14.569 3.509 ( 5.258 13.588 0.000) 14.569 4.115 ( -8.795 -11.228 0.000) 14.263 4.115 ( 8.795 -11.228 0.000) 14.263 4.115 ( -8.795 11.228 0.000) 14.263 4.115 ( 8.795 11.228 0.000) 14.263 4.871 ( -1.441 -7.814 0.000) 7.946 4.871 ( 1.441 -7.814 0.000) 7.946 4.871 ( -1.441 7.814 0.000) 7.946 4.871 ( 1.441 7.814 0.000) 7.946 5.216 ( -3.333 -4.198 0.000) 5.360 5.216 ( 3.333 -4.198 0.000) 5.360 5.216 ( -3.333 4.198 0.000) 5.360 5.216 ( 3.333 4.198 0.000) 5.360 5.338 ( -2.229 -7.192 0.000) 7.530 5.338 ( 2.229 -7.192 0.000) 7.530 5.338 ( -2.229 7.192 0.000) 7.530 5.338 ( 2.229 7.192 0.000) 7.530 6.131 ( -2.692 -8.252 0.000) 8.680 6.131 ( 2.692 -8.252 0.000) 8.680 6.131 ( -2.692 8.252 0.000) 8.680 6.131 ( 2.692 8.252 0.000) 8.680 6.361 ( -0.858 -8.105 0.000) 8.150 6.361 ( 0.858 -8.105 0.000) 8.150 6.361 ( -0.858 8.105 0.000) 8.150 6.361 ( 0.858 8.105 0.000) 8.150 6.501 ( -2.196 -8.620 0.000) 8.895 6.501 ( 2.196 -8.620 0.000) 8.895 6.501 ( -2.196 8.620 0.000) 8.895 6.501 ( 2.196 8.620 0.000) 8.895 6.895 ( -1.949 -5.287 0.000) 5.634 6.895 ( 1.949 -5.287 0.000) 5.634 6.895 ( -1.949 5.287 0.000) 5.634 6.895 ( 1.949 5.287 0.000) 5.634 7.337 ( -12.967 -5.094 0.000) 13.932 7.337 ( -12.967 5.094 0.000) 13.932 7.337 ( 12.967 -5.094 0.000) 13.932 7.337 ( 12.967 5.094 0.000) 13.932 7.622 ( -6.510 -0.865 0.000) 6.567 7.622 ( -6.510 0.865 0.000) 6.567 7.622 ( 6.510 -0.865 0.000) 6.567 7.622 ( 6.510 0.865 0.000) 6.567 8.865 ( -7.463 -5.125 0.000) 9.054 8.865 ( 7.463 -5.125 0.000) 9.054 8.865 ( -7.463 5.125 0.000) 9.054 8.865 ( 7.463 5.125 0.000) 9.054 9.156 ( -0.489 -5.001 0.000) 5.025 9.156 ( 0.489 -5.001 0.000) 5.025 9.156 ( -0.489 5.001 0.000) 5.025 9.156 ( 0.489 5.001 0.000) 5.025 9.494 ( -1.001 -13.930 0.000) 13.966 9.494 ( 1.001 -13.930 0.000) 13.966 9.494 ( -1.001 13.930 0.000) 13.966 9.494 ( 1.001 13.930 0.000) 13.966 10.756 ( -10.379 -4.505 0.000) 11.315 10.756 ( -10.379 4.505 0.000) 11.315 10.756 ( 10.379 -4.505 0.000) 11.315 10.756 ( 10.379 4.505 0.000) 11.315 11.614 ( -2.181 -11.446 0.000) 11.652 11.614 ( 2.181 -11.446 0.000) 11.652 11.614 ( -2.181 11.446 0.000) 11.652 11.614 ( 2.181 11.446 0.000) 11.652 12.520 ( -10.235 -10.711 0.000) 14.815 12.520 ( 10.235 -10.711 0.000) 14.815 12.520 ( -10.235 10.711 0.000) 14.815 12.520 ( 10.235 10.711 0.000) 14.815 12.689 ( -11.059 -2.282 0.000) 11.292 12.689 ( -11.059 2.282 0.000) 11.292 12.689 ( 11.059 -2.282 0.000) 11.292 12.689 ( 11.059 2.282 0.000) 11.292 13.826 ( -5.415 -4.594 0.000) 7.101 13.826 ( 5.415 -4.594 0.000) 7.101 13.826 ( -5.415 4.594 0.000) 7.101 13.826 ( 5.415 4.594 0.000) 7.101 14.316 ( -7.733 -6.218 0.000) 9.923 14.316 ( 7.733 -6.218 0.000) 9.923 14.316 ( -7.733 6.218 0.000) 9.923 14.316 ( 7.733 6.218 0.000) 9.923 15.127 ( -8.221 -10.541 0.000) 13.368 15.127 ( 8.221 -10.541 0.000) 13.368 15.127 ( -8.221 10.541 0.000) 13.368 15.127 ( 8.221 10.541 0.000) 13.368 15.373 ( -5.204 -1.502 0.000) 5.417 15.373 ( -5.204 1.502 0.000) 5.417 15.373 ( 5.204 -1.502 0.000) 5.417 15.373 ( 5.204 1.502 0.000) 5.417 17.322 ( -2.910 -10.552 0.000) 10.946 17.322 ( 2.910 -10.552 0.000) 10.946 17.322 ( -2.910 10.552 0.000) 10.946 17.322 ( 2.910 10.552 0.000) 10.946 18.443 ( -0.286 -8.992 0.000) 8.997 18.443 ( 0.286 -8.992 0.000) 8.997 18.443 ( -0.286 8.992 0.000) 8.997 18.443 ( 0.286 8.992 0.000) 8.997 24.771 ( -6.402 -2.887 0.000) 7.023 24.771 ( -6.402 2.887 0.000) 7.023 24.771 ( 6.402 -2.887 0.000) 7.023 24.771 ( 6.402 2.887 0.000) 7.023 26.400 ( -1.074 -2.350 0.000) 2.583 26.400 ( 1.074 -2.350 0.000) 2.583 26.400 ( -1.074 2.350 0.000) 2.583 26.400 ( 1.074 2.350 0.000) 2.583 27.923 ( -3.834 -1.047 0.000) 3.974 27.923 ( -3.834 1.047 0.000) 3.974 27.923 ( 3.834 -1.047 0.000) 3.974 27.923 ( 3.834 1.047 0.000) 3.974 28.504 ( -3.443 -5.438 0.000) 6.436 28.504 ( 3.443 -5.438 0.000) 6.436 28.504 ( -3.443 5.438 0.000) 6.436 28.504 ( 3.443 5.438 0.000) 6.436 28.943 ( -5.340 -2.960 0.000) 6.105 28.943 ( 5.340 -2.960 0.000) 6.105 28.943 ( -5.340 2.960 0.000) 6.105 28.943 ( 5.340 2.960 0.000) 6.105 29.936 ( -5.844 -4.016 0.000) 7.091 29.936 ( 5.844 -4.016 0.000) 7.091 29.936 ( -5.844 4.016 0.000) 7.091 29.936 ( 5.844 4.016 0.000) 7.091 30.575 ( -7.429 -6.606 0.000) 9.941 30.575 ( 7.429 -6.606 0.000) 9.941 30.575 ( -7.429 6.606 0.000) 9.941 30.575 ( 7.429 6.606 0.000) 9.941 ======================= Grid point 35 (13/72) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 0.000 0.000 39.039) 39.039 0.957 ( 0.000 0.000 46.964) 46.964 1.295 ( 0.000 0.000 63.646) 63.646 2.510 ( 0.000 0.000 11.903) 11.903 2.629 ( 0.000 0.000 7.275) 7.275 2.722 ( 0.000 0.000 2.438) 2.438 2.997 ( 0.000 0.000 15.733) 15.733 3.245 ( 0.000 0.000 -7.848) 7.848 3.450 ( 0.000 0.000 17.879) 17.879 3.539 ( 0.000 0.000 3.641) 3.641 3.776 ( 0.000 0.000 -5.687) 5.687 3.830 ( 0.000 0.000 -0.816) 0.816 4.342 ( 0.000 0.000 -11.340) 11.340 4.356 ( 0.000 0.000 -2.631) 2.631 4.468 ( 0.000 0.000 4.614) 4.614 4.510 ( 0.000 0.000 -4.550) 4.550 4.530 ( 0.000 0.000 -4.463) 4.463 4.585 ( 0.000 0.000 -10.286) 10.286 4.613 ( 0.000 0.000 -2.266) 2.266 4.927 ( 0.000 0.000 8.957) 8.957 4.929 ( 0.000 0.000 -9.691) 9.691 5.011 ( 0.000 0.000 -1.809) 1.809 5.111 ( 0.000 0.000 7.587) 7.587 5.368 ( 0.000 0.000 0.433) 0.433 5.567 ( 0.000 0.000 -6.526) 6.526 5.609 ( 0.000 0.000 -5.801) 5.801 5.629 ( 0.000 0.000 -7.856) 7.856 5.696 ( 0.000 0.000 -0.594) 0.594 5.795 ( 0.000 0.000 11.891) 11.891 5.910 ( 0.000 0.000 4.409) 4.409 5.978 ( 0.000 0.000 -3.333) 3.333 6.049 ( 0.000 0.000 -2.569) 2.569 6.073 ( 0.000 0.000 5.620) 5.620 6.099 ( 0.000 0.000 3.455) 3.455 6.174 ( 0.000 0.000 0.617) 0.617 6.297 ( 0.000 0.000 -12.960) 12.960 6.528 ( 0.000 0.000 -12.132) 12.132 6.590 ( 0.000 0.000 4.543) 4.543 6.807 ( 0.000 0.000 0.116) 0.116 6.995 ( 0.000 0.000 1.244) 1.244 7.084 ( 0.000 0.000 -1.994) 1.994 7.090 ( 0.000 0.000 8.418) 8.418 7.167 ( 0.000 0.000 -3.407) 3.407 7.221 ( 0.000 0.000 -10.979) 10.979 7.228 ( 0.000 0.000 2.779) 2.779 7.348 ( 0.000 0.000 2.532) 2.532 7.441 ( 0.000 0.000 -10.298) 10.298 7.456 ( 0.000 0.000 -5.921) 5.921 7.510 ( 0.000 0.000 -4.739) 4.739 7.714 ( 0.000 0.000 3.912) 3.912 7.865 ( 0.000 0.000 6.693) 6.693 7.909 ( 0.000 0.000 4.336) 4.336 8.066 ( 0.000 0.000 2.324) 2.324 8.231 ( 0.000 0.000 2.200) 2.200 8.385 ( 0.000 0.000 -1.237) 1.237 8.652 ( 0.000 0.000 -3.095) 3.095 8.881 ( 0.000 0.000 -6.852) 6.852 8.937 ( 0.000 0.000 5.273) 5.273 9.267 ( 0.000 0.000 3.480) 3.480 9.353 ( 0.000 0.000 -6.464) 6.464 9.420 ( 0.000 0.000 -2.300) 2.300 9.836 ( 0.000 0.000 -14.143) 14.143 10.044 ( 0.000 0.000 -4.347) 4.347 10.285 ( 0.000 0.000 -1.883) 1.883 10.605 ( 0.000 0.000 1.980) 1.980 10.613 ( 0.000 0.000 -8.980) 8.980 10.804 ( 0.000 0.000 0.836) 0.836 11.046 ( 0.000 0.000 -5.004) 5.004 11.381 ( 0.000 0.000 10.109) 10.109 11.840 ( 0.000 0.000 3.545) 3.545 11.949 ( 0.000 0.000 -0.331) 0.331 11.974 ( 0.000 0.000 -5.083) 5.083 11.999 ( 0.000 0.000 0.356) 0.356 12.213 ( 0.000 0.000 0.053) 0.053 12.226 ( 0.000 0.000 -1.943) 1.943 12.243 ( 0.000 0.000 -3.737) 3.737 12.485 ( 0.000 0.000 -3.740) 3.740 12.922 ( 0.000 0.000 -0.040) 0.040 12.997 ( 0.000 0.000 -0.536) 0.536 12.999 ( 0.000 0.000 1.241) 1.241 13.490 ( 0.000 0.000 4.036) 4.036 13.638 ( 0.000 0.000 5.079) 5.079 13.694 ( 0.000 0.000 4.245) 4.245 13.732 ( 0.000 0.000 13.048) 13.048 13.997 ( 0.000 0.000 3.177) 3.177 14.362 ( 0.000 0.000 3.862) 3.862 14.533 ( 0.000 0.000 2.722) 2.722 14.668 ( 0.000 0.000 -6.271) 6.271 14.855 ( 0.000 0.000 -9.807) 9.807 14.863 ( 0.000 0.000 -9.926) 9.926 15.071 ( 0.000 0.000 1.130) 1.130 15.199 ( 0.000 0.000 6.150) 6.150 15.267 ( 0.000 0.000 7.079) 7.079 15.292 ( 0.000 0.000 -0.018) 0.018 15.925 ( 0.000 0.000 -3.545) 3.545 15.968 ( 0.000 0.000 -6.438) 6.438 16.491 ( 0.000 0.000 -7.793) 7.793 16.746 ( 0.000 0.000 -8.173) 8.173 17.015 ( 0.000 0.000 4.462) 4.462 17.583 ( 0.000 0.000 4.002) 4.002 18.194 ( 0.000 0.000 1.838) 1.838 18.434 ( 0.000 0.000 -0.956) 0.956 18.622 ( 0.000 0.000 -3.830) 3.830 18.823 ( 0.000 0.000 -17.563) 17.563 24.521 ( 0.000 0.000 -1.995) 1.995 24.655 ( 0.000 0.000 -1.511) 1.511 24.898 ( 0.000 0.000 -1.028) 1.028 25.490 ( 0.000 0.000 -14.942) 14.942 26.351 ( 0.000 0.000 3.846) 3.846 26.459 ( 0.000 0.000 0.213) 0.213 26.472 ( 0.000 0.000 2.226) 2.226 26.594 ( 0.000 0.000 5.926) 5.926 27.892 ( 0.000 0.000 -4.075) 4.075 27.992 ( 0.000 0.000 2.759) 2.759 27.998 ( 0.000 0.000 2.557) 2.557 28.107 ( 0.000 0.000 3.751) 3.751 28.164 ( 0.000 0.000 1.672) 1.672 28.269 ( 0.000 0.000 9.961) 9.961 28.298 ( 0.000 0.000 1.534) 1.534 28.304 ( 0.000 0.000 0.818) 0.818 28.578 ( 0.000 0.000 -1.089) 1.089 28.826 ( 0.000 0.000 8.314) 8.314 28.952 ( 0.000 0.000 5.893) 5.893 29.464 ( 0.000 0.000 -5.048) 5.048 29.690 ( 0.000 0.000 -3.453) 3.453 29.748 ( 0.000 0.000 7.328) 7.328 29.941 ( 0.000 0.000 0.785) 0.785 30.085 ( 0.000 0.000 0.624) 0.624 30.153 ( 0.000 0.000 1.703) 1.703 30.613 ( 0.000 0.000 -8.622) 8.622 30.788 ( 0.000 0.000 -3.017) 3.017 31.437 ( 0.000 0.000 -3.015) 3.015 ======================= Grid point 36 (14/72) ======================= q-point: ( 0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 24.225 0.000 26.448) 35.865 1.199 ( 23.313 0.000 35.566) 42.526 1.715 ( 33.103 0.000 44.683) 55.609 2.199 ( -21.805 0.000 13.938) 25.879 2.231 ( -27.044 0.000 11.794) 29.504 2.977 ( 11.949 0.000 -1.046) 11.995 3.207 ( -3.159 0.000 16.035) 16.343 3.217 ( -3.010 0.000 -7.444) 8.029 3.292 ( -1.846 0.000 19.182) 19.271 3.526 ( -0.842 0.000 3.699) 3.794 3.613 ( -7.280 0.000 1.584) 7.451 3.967 ( -27.565 0.000 14.040) 30.935 4.024 ( 10.597 0.000 -8.096) 13.336 4.281 ( -4.177 0.000 -12.740) 13.407 4.347 ( -0.584 0.000 -3.849) 3.893 4.447 ( -3.990 0.000 -5.633) 6.903 4.611 ( 3.686 0.000 1.241) 3.889 4.768 ( 6.102 0.000 -13.198) 14.540 4.776 ( 12.744 0.000 -3.216) 13.144 4.849 ( -1.494 0.000 7.490) 7.638 4.907 ( -1.339 0.000 -10.843) 10.925 5.104 ( 6.678 0.000 -0.518) 6.698 5.313 ( 14.019 0.000 2.100) 14.175 5.325 ( -4.282 0.000 -0.231) 4.289 5.448 ( -11.711 0.000 -3.336) 12.177 5.573 ( -2.674 0.000 -4.907) 5.588 5.648 ( 0.864 0.000 -4.052) 4.143 5.725 ( -4.957 0.000 6.930) 8.520 5.777 ( 7.063 0.000 -1.463) 7.213 5.946 ( 4.716 0.000 12.909) 13.744 6.037 ( -2.606 0.000 -2.712) 3.761 6.062 ( -0.647 0.000 6.258) 6.292 6.073 ( -1.586 0.000 1.852) 2.438 6.137 ( -2.973 0.000 0.868) 3.097 6.259 ( 11.904 0.000 -17.639) 21.280 6.318 ( 5.075 0.000 -14.624) 15.480 6.508 ( -0.514 0.000 -9.640) 9.654 6.639 ( 0.714 0.000 -0.240) 0.753 6.791 ( 2.094 0.000 -3.538) 4.111 6.919 ( -3.335 0.000 0.514) 3.375 7.095 ( 1.103 0.000 -2.504) 2.736 7.152 ( -0.733 0.000 3.636) 3.709 7.153 ( -1.422 0.000 -3.181) 3.484 7.201 ( 3.048 0.000 -12.639) 13.001 7.260 ( 3.023 0.000 2.586) 3.978 7.334 ( -8.897 0.000 -2.253) 9.178 7.344 ( -0.669 0.000 2.790) 2.869 7.440 ( -5.478 0.000 -5.976) 8.107 7.608 ( 11.489 0.000 -2.950) 11.862 7.744 ( 3.080 0.000 3.981) 5.033 7.868 ( -0.429 0.000 5.008) 5.026 7.881 ( -2.865 0.000 4.227) 5.106 8.019 ( -0.692 0.000 5.918) 5.958 8.254 ( 2.373 0.000 2.179) 3.221 8.363 ( -2.281 0.000 0.074) 2.283 8.566 ( -25.846 0.000 15.894) 30.342 8.720 ( 7.278 0.000 -4.550) 8.583 9.085 ( 11.023 0.000 2.986) 11.420 9.176 ( -14.668 0.000 -7.343) 16.403 9.311 ( 5.342 0.000 0.288) 5.350 9.409 ( -1.650 0.000 -0.528) 1.732 9.720 ( -21.911 0.000 11.857) 24.914 9.979 ( 11.142 0.000 -11.019) 15.670 10.256 ( -3.259 0.000 -3.116) 4.509 10.509 ( 2.710 0.000 -3.686) 4.575 10.675 ( 6.101 0.000 0.207) 6.104 10.707 ( -4.137 0.000 -0.491) 4.166 10.992 ( -7.293 0.000 -3.539) 8.107 11.413 ( 3.727 0.000 5.891) 6.971 11.721 ( -11.224 0.000 -1.679) 11.349 11.779 ( -1.263 0.000 1.809) 2.206 11.996 ( -8.726 0.000 -3.184) 9.289 12.146 ( 9.690 0.000 0.614) 9.709 12.263 ( 8.344 0.000 -4.062) 9.281 12.301 ( 6.792 0.000 -5.179) 8.542 12.374 ( 3.503 0.000 -3.752) 5.133 12.620 ( 8.893 0.000 -1.226) 8.977 12.854 ( -6.321 0.000 6.189) 8.847 12.903 ( -4.958 0.000 2.463) 5.536 12.956 ( -4.214 0.000 -1.294) 4.408 13.455 ( -2.139 0.000 6.102) 6.466 13.564 ( -6.510 0.000 7.761) 10.130 13.713 ( 2.666 0.000 5.869) 6.446 13.763 ( 0.986 0.000 8.050) 8.110 14.287 ( 13.244 0.000 -10.752) 17.059 14.497 ( 6.188 0.000 -0.102) 6.188 14.555 ( 1.657 0.000 0.408) 1.706 14.670 ( -1.833 0.000 -5.064) 5.386 14.856 ( 0.147 0.000 -9.526) 9.527 14.862 ( -0.099 0.000 -9.520) 9.520 15.090 ( 3.654 0.000 1.310) 3.881 15.214 ( 1.367 0.000 6.209) 6.358 15.261 ( -0.687 0.000 6.843) 6.877 15.471 ( -7.705 0.000 -1.873) 7.929 15.996 ( 26.211 0.000 -21.641) 33.990 16.049 ( 8.515 0.000 -6.590) 10.767 16.542 ( -15.452 0.000 -6.218) 16.656 16.636 ( 3.331 0.000 -21.023) 21.285 17.191 ( 12.533 0.000 2.528) 12.785 17.536 ( -5.082 0.000 3.738) 6.308 18.213 ( 2.340 0.000 2.067) 3.122 18.348 ( -5.311 0.000 3.295) 6.250 18.671 ( 3.723 0.000 -8.731) 9.492 18.814 ( -1.984 0.000 -16.011) 16.134 24.668 ( 2.679 0.000 -3.117) 4.110 24.722 ( 5.055 0.000 -10.170) 11.357 25.018 ( 15.882 0.000 -10.555) 19.070 25.445 ( -4.986 0.000 -15.320) 16.111 26.360 ( 0.974 0.000 2.839) 3.001 26.422 ( -2.202 0.000 0.524) 2.264 26.514 ( 2.693 0.000 2.791) 3.878 26.588 ( -0.788 0.000 5.202) 5.262 27.903 ( 1.290 0.000 -2.632) 2.931 27.989 ( -0.191 0.000 2.710) 2.717 27.993 ( -0.397 0.000 2.578) 2.608 28.057 ( -6.070 0.000 4.573) 7.600 28.179 ( 1.557 0.000 1.553) 2.199 28.215 ( -2.678 0.000 7.530) 7.992 28.257 ( -2.420 0.000 8.060) 8.416 28.269 ( -2.906 0.000 0.935) 3.053 28.675 ( 9.484 0.000 -1.283) 9.570 28.854 ( 2.695 0.000 8.711) 9.119 28.944 ( -1.121 0.000 7.773) 7.854 29.199 ( -17.640 0.000 -3.154) 17.920 29.761 ( 1.612 0.000 8.485) 8.637 29.950 ( -6.353 0.000 7.267) 9.652 29.969 ( 19.050 0.000 -5.517) 19.832 29.986 ( -0.204 0.000 5.251) 5.255 30.120 ( -2.967 0.000 1.658) 3.398 30.529 ( -8.977 0.000 -8.222) 12.174 30.815 ( 2.857 0.000 -1.945) 3.456 31.108 ( -18.539 0.000 11.004) 21.559 ======================= Grid point 37 (15/72) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -31.301 0.000 14.917) 34.674 1.542 ( 31.301 0.000 14.917) 34.674 1.703 ( -29.516 0.000 21.174) 36.325 1.703 ( 29.516 0.000 21.174) 36.325 2.597 ( -42.389 0.000 28.410) 51.029 2.597 ( 42.389 0.000 28.410) 51.029 3.136 ( -5.986 0.000 -5.335) 8.018 3.136 ( 5.986 0.000 -5.335) 8.018 3.532 ( -1.965 0.000 3.773) 4.254 3.532 ( 1.965 0.000 3.773) 4.254 3.580 ( -17.322 0.000 17.789) 24.830 3.580 ( 17.322 0.000 17.789) 24.830 4.185 ( -6.884 0.000 -11.020) 12.994 4.185 ( 6.884 0.000 -11.020) 12.994 4.370 ( -3.356 0.000 -6.457) 7.277 4.370 ( 3.356 0.000 -6.457) 7.277 4.708 ( -6.392 0.000 5.111) 8.184 4.708 ( 6.392 0.000 5.111) 8.184 4.863 ( -3.974 0.000 -14.117) 14.665 4.863 ( 3.974 0.000 -14.117) 14.665 5.143 ( -16.795 0.000 -2.503) 16.981 5.143 ( 16.795 0.000 -2.503) 16.981 5.236 ( -4.779 0.000 0.452) 4.800 5.236 ( 4.779 0.000 0.452) 4.800 5.497 ( -6.253 0.000 -3.114) 6.985 5.497 ( 6.253 0.000 -3.114) 6.985 5.667 ( -1.579 0.000 1.706) 2.325 5.667 ( 1.579 0.000 1.706) 2.325 5.922 ( -8.082 0.000 -1.353) 8.195 5.922 ( 8.082 0.000 -1.353) 8.195 6.019 ( -3.926 0.000 9.701) 10.466 6.019 ( 3.926 0.000 9.701) 10.466 6.088 ( -2.206 0.000 -0.011) 2.206 6.088 ( 2.206 0.000 -0.011) 2.206 6.361 ( -3.710 0.000 -11.092) 11.696 6.361 ( 3.710 0.000 -11.092) 11.696 6.569 ( -5.086 0.000 -9.803) 11.043 6.569 ( 5.086 0.000 -9.803) 11.043 6.902 ( -5.853 0.000 -7.251) 9.318 6.902 ( 5.853 0.000 -7.251) 9.318 7.122 ( -1.746 0.000 -3.063) 3.526 7.122 ( 1.746 0.000 -3.063) 3.526 7.131 ( -7.590 0.000 2.435) 7.971 7.131 ( 7.590 0.000 2.435) 7.971 7.316 ( -2.496 0.000 2.797) 3.749 7.316 ( 2.496 0.000 2.797) 3.749 7.332 ( -6.478 0.000 -8.760) 10.895 7.332 ( 6.478 0.000 -8.760) 10.895 7.814 ( -7.251 0.000 1.563) 7.418 7.814 ( 7.251 0.000 1.563) 7.418 7.814 ( -4.124 0.000 4.095) 5.812 7.814 ( 4.124 0.000 4.095) 5.812 8.141 ( -16.215 0.000 14.887) 22.012 8.141 ( 16.215 0.000 14.887) 22.012 8.309 ( -3.323 0.000 1.615) 3.695 8.309 ( 3.323 0.000 1.615) 3.695 8.911 ( -13.115 0.000 -6.480) 14.628 8.911 ( 13.115 0.000 -6.480) 14.628 9.307 ( -10.685 0.000 6.203) 12.355 9.307 ( 10.685 0.000 6.203) 12.355 9.436 ( -8.807 0.000 0.763) 8.840 9.436 ( 8.807 0.000 0.763) 8.840 10.158 ( -7.615 0.000 -6.583) 10.065 10.158 ( 7.615 0.000 -6.583) 10.065 10.612 ( -6.184 0.000 -1.682) 6.408 10.612 ( 6.184 0.000 -1.682) 6.408 10.828 ( -9.562 0.000 -2.037) 9.777 10.828 ( 9.562 0.000 -2.037) 9.777 11.529 ( -8.948 0.000 -0.312) 8.954 11.529 ( 8.948 0.000 -0.312) 8.954 11.832 ( -6.759 0.000 -0.750) 6.800 11.832 ( 6.759 0.000 -0.750) 6.800 12.334 ( -7.605 0.000 -2.610) 8.040 12.334 ( 7.605 0.000 -2.610) 8.040 12.366 ( -1.274 0.000 -4.441) 4.620 12.366 ( 1.274 0.000 -4.441) 4.620 12.744 ( -5.208 0.000 7.764) 9.349 12.744 ( 5.208 0.000 7.764) 9.349 12.876 ( -2.986 0.000 -3.441) 4.556 12.876 ( 2.986 0.000 -3.441) 4.556 13.463 ( -3.466 0.000 8.404) 9.091 13.463 ( 3.466 0.000 8.404) 9.091 13.756 ( -1.601 0.000 6.238) 6.440 13.756 ( 1.601 0.000 6.238) 6.440 14.483 ( -7.358 0.000 -5.389) 9.120 14.483 ( 7.358 0.000 -5.389) 9.120 14.605 ( -3.769 0.000 -0.927) 3.882 14.605 ( 3.769 0.000 -0.927) 3.882 14.859 ( -0.176 0.000 -9.212) 9.214 14.859 ( 0.176 0.000 -9.212) 9.214 15.229 ( -11.841 0.000 2.923) 12.196 15.229 ( 11.841 0.000 2.923) 12.196 15.241 ( -1.433 0.000 6.453) 6.610 15.241 ( 1.433 0.000 6.453) 6.610 16.263 ( -14.146 0.000 -6.511) 15.572 16.263 ( 14.146 0.000 -6.511) 15.572 16.472 ( -19.603 0.000 -24.155) 31.109 16.472 ( 19.603 0.000 -24.155) 31.109 17.399 ( -9.650 0.000 3.052) 10.121 17.399 ( 9.650 0.000 3.052) 10.121 18.271 ( -3.561 0.000 2.909) 4.598 18.271 ( 3.561 0.000 2.909) 4.598 18.749 ( -4.495 0.000 -12.980) 13.737 18.749 ( 4.495 0.000 -12.980) 13.737 24.717 ( -2.543 0.000 -4.352) 5.041 24.717 ( 2.543 0.000 -4.352) 5.041 25.296 ( -11.635 0.000 -16.454) 20.153 25.296 ( 11.635 0.000 -16.454) 20.153 26.385 ( -1.719 0.000 1.176) 2.083 26.385 ( 1.719 0.000 1.176) 2.083 26.561 ( -2.149 0.000 4.148) 4.672 26.561 ( 2.149 0.000 4.148) 4.672 27.950 ( -4.214 0.000 1.675) 4.534 27.950 ( 4.214 0.000 1.675) 4.534 27.988 ( -0.117 0.000 2.630) 2.632 27.988 ( 0.117 0.000 2.630) 2.632 28.216 ( -1.708 0.000 7.749) 7.935 28.216 ( 1.708 0.000 7.749) 7.935 28.217 ( -2.512 0.000 1.257) 2.809 28.217 ( 2.512 0.000 1.257) 2.809 28.899 ( -14.615 0.000 -1.963) 14.746 28.899 ( 14.615 0.000 -1.963) 14.746 28.907 ( -2.720 0.000 9.104) 9.502 28.907 ( 2.720 0.000 9.104) 9.502 29.818 ( -4.972 0.000 11.658) 12.674 29.818 ( 4.972 0.000 11.658) 12.674 30.052 ( -4.227 0.000 1.682) 4.550 30.052 ( 4.227 0.000 1.682) 4.550 30.297 ( -15.866 0.000 -7.120) 17.390 30.297 ( 15.866 0.000 -7.120) 17.390 30.897 ( -6.655 0.000 2.715) 7.188 30.897 ( 6.655 0.000 2.715) 7.188 ======================= Grid point 40 (16/72) ======================= q-point: ( 0.00 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 0.000 24.258 26.318) 35.792 1.087 ( 0.000 23.861 25.167) 34.680 1.950 ( 0.000 43.836 42.276) 60.900 2.568 ( 0.000 6.267 9.408) 11.304 2.680 ( 0.000 3.102 7.794) 8.388 2.792 ( 0.000 4.292 3.058) 5.270 3.086 ( 0.000 9.268 13.767) 16.596 3.340 ( 0.000 6.448 -4.404) 7.809 3.390 ( 0.000 -14.471 4.820) 15.253 3.505 ( 0.000 5.644 12.172) 13.417 3.703 ( 0.000 -8.209 -5.457) 9.858 3.735 ( 0.000 -5.353 -2.649) 5.973 4.153 ( 0.000 -15.577 -8.049) 17.534 4.324 ( 0.000 -3.571 -4.725) 5.922 4.387 ( 0.000 -7.487 -0.103) 7.488 4.428 ( 0.000 -3.862 -2.149) 4.420 4.487 ( 0.000 1.676 -0.674) 1.807 4.677 ( 0.000 5.551 4.626) 7.226 4.784 ( 0.000 10.731 -7.046) 12.837 4.948 ( 0.000 1.249 7.393) 7.498 5.021 ( 0.000 2.888 -6.241) 6.877 5.025 ( 0.000 6.027 -7.147) 9.349 5.202 ( 0.000 8.799 7.935) 11.848 5.289 ( 0.000 -8.550 -4.601) 9.709 5.381 ( 0.000 -4.244 2.017) 4.699 5.505 ( 0.000 -7.135 -2.155) 7.453 5.636 ( 0.000 -11.482 2.011) 11.656 5.686 ( 0.000 -3.031 2.535) 3.952 5.761 ( 0.000 -1.106 -1.607) 1.950 5.942 ( 0.000 9.858 -7.980) 12.683 6.001 ( 0.000 3.191 2.257) 3.909 6.032 ( 0.000 -1.953 4.072) 4.516 6.123 ( 0.000 -2.325 -4.148) 4.755 6.135 ( 0.000 3.685 4.476) 5.798 6.207 ( 0.000 3.783 -7.495) 8.395 6.400 ( 0.000 7.606 -8.550) 11.443 6.514 ( 0.000 -1.537 -7.721) 7.872 6.600 ( 0.000 1.598 4.969) 5.219 6.761 ( 0.000 -2.177 2.302) 3.168 6.858 ( 0.000 -12.223 -1.231) 12.285 7.073 ( 0.000 -4.341 9.023) 10.013 7.092 ( 0.000 -0.576 -0.393) 0.697 7.139 ( 0.000 -9.564 0.239) 9.567 7.202 ( 0.000 -0.828 -1.630) 1.828 7.248 ( 0.000 -0.311 -3.237) 3.251 7.344 ( 0.000 1.036 2.448) 2.658 7.386 ( 0.000 -2.381 -1.879) 3.033 7.428 ( 0.000 1.289 -10.739) 10.816 7.441 ( 0.000 -2.211 1.677) 2.775 7.714 ( 0.000 -1.736 0.042) 1.736 7.720 ( 0.000 -5.706 21.724) 22.461 7.908 ( 0.000 -6.082 -0.724) 6.125 8.104 ( 0.000 17.347 7.076) 18.735 8.416 ( 0.000 12.413 1.398) 12.491 8.448 ( 0.000 4.916 -4.607) 6.738 8.703 ( 0.000 4.701 -2.056) 5.130 8.978 ( 0.000 4.124 4.791) 6.322 9.152 ( 0.000 2.875 -12.162) 12.498 9.270 ( 0.000 6.481 -8.838) 10.960 9.312 ( 0.000 -2.752 -8.139) 8.592 9.451 ( 0.000 1.988 -2.704) 3.356 9.725 ( 0.000 -9.213 -6.458) 11.251 9.883 ( 0.000 -12.984 -8.945) 15.766 10.143 ( 0.000 -12.220 -0.885) 12.252 10.570 ( 0.000 -2.971 1.988) 3.575 10.652 ( 0.000 -0.887 -4.001) 4.099 10.750 ( 0.000 3.103 -4.507) 5.472 11.031 ( 0.000 -1.275 -5.418) 5.566 11.399 ( 0.000 4.206 7.670) 8.747 11.655 ( 0.000 -15.292 3.375) 15.660 11.887 ( 0.000 -3.543 -0.350) 3.560 11.944 ( 0.000 5.922 0.781) 5.973 11.963 ( 0.000 -4.922 -8.820) 10.100 12.218 ( 0.000 1.407 -0.041) 1.408 12.232 ( 0.000 1.342 -1.594) 2.084 12.474 ( 0.000 -0.438 1.822) 1.874 12.543 ( 0.000 16.380 -3.434) 16.736 12.890 ( 0.000 -1.995 6.921) 7.203 12.890 ( 0.000 -8.070 -0.078) 8.070 12.913 ( 0.000 -0.905 0.201) 0.927 13.564 ( 0.000 6.172 1.472) 6.345 13.643 ( 0.000 -3.696 2.436) 4.426 13.767 ( 0.000 2.026 9.382) 9.598 13.925 ( 0.000 9.824 -10.462) 14.351 14.025 ( 0.000 3.046 3.962) 4.998 14.317 ( 0.000 -3.654 2.640) 4.508 14.472 ( 0.000 -4.281 2.803) 5.117 14.628 ( 0.000 -2.573 -3.410) 4.272 14.823 ( 0.000 -2.167 -5.437) 5.853 14.943 ( 0.000 6.215 -8.869) 10.830 15.080 ( 0.000 4.180 -2.112) 4.683 15.237 ( 0.000 -0.778 0.546) 0.950 15.361 ( 0.000 4.256 4.873) 6.470 15.488 ( 0.000 12.889 0.894) 12.920 15.555 ( 0.000 -16.360 0.066) 16.360 15.965 ( 0.000 -23.231 6.281) 24.065 16.406 ( 0.000 22.452 -7.844) 23.783 17.034 ( 0.000 1.995 4.328) 4.766 17.212 ( 0.000 13.239 -21.117) 24.924 17.556 ( 0.000 -2.955 -0.254) 2.965 18.219 ( 0.000 2.894 2.099) 3.575 18.371 ( 0.000 -2.555 3.062) 3.988 18.604 ( 0.000 -1.782 -3.969) 4.350 18.770 ( 0.000 -4.999 -15.166) 15.968 24.533 ( 0.000 1.111 -1.717) 2.045 24.646 ( 0.000 -0.784 -1.454) 1.652 24.877 ( 0.000 -1.671 -1.163) 2.036 25.261 ( 0.000 -14.055 -4.446) 14.741 26.350 ( 0.000 0.976 3.856) 3.978 26.446 ( 0.000 -1.765 2.614) 3.154 26.450 ( 0.000 -0.887 0.860) 1.236 26.561 ( 0.000 -2.655 4.961) 5.627 27.869 ( 0.000 -1.305 -0.995) 1.641 27.987 ( 0.000 -0.886 6.243) 6.305 28.061 ( 0.000 -0.883 2.683) 2.824 28.129 ( 0.000 -1.612 4.396) 4.682 28.148 ( 0.000 9.616 0.839) 9.653 28.251 ( 0.000 4.790 1.758) 5.102 28.403 ( 0.000 9.013 4.166) 9.929 28.566 ( 0.000 -1.041 -0.363) 1.102 28.651 ( 0.000 12.861 -8.659) 15.504 28.857 ( 0.000 3.466 6.929) 7.747 28.939 ( 0.000 -1.339 4.941) 5.119 29.417 ( 0.000 -4.389 -3.486) 5.605 29.677 ( 0.000 -1.060 -2.800) 2.994 29.726 ( 0.000 -2.024 5.297) 5.670 29.944 ( 0.000 0.315 0.845) 0.902 30.079 ( 0.000 -1.367 1.900) 2.341 30.183 ( 0.000 3.654 0.100) 3.656 30.631 ( 0.000 1.743 -8.369) 8.549 30.748 ( 0.000 -3.847 -3.450) 5.168 31.154 ( 0.000 -15.693 6.017) 16.807 ======================= Grid point 41 (17/72) ======================= q-point: ( 0.25 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 20.838 23.553 17.196) 35.842 1.305 ( 21.422 15.244 24.948) 36.245 2.123 ( 2.431 25.294 24.270) 35.139 2.283 ( -26.469 5.583 11.337) 29.331 2.369 ( -1.552 20.053 20.096) 28.432 3.053 ( 12.387 3.511 -0.378) 12.881 3.226 ( -6.920 6.473 4.718) 10.585 3.314 ( 9.792 3.058 9.012) 13.655 3.378 ( -2.415 -6.131 3.724) 7.568 3.453 ( -2.543 4.780 9.202) 10.677 3.573 ( -5.932 -1.707 2.335) 6.600 3.835 ( 0.806 -8.919 -2.466) 9.289 4.081 ( -10.983 -5.785 -3.981) 13.036 4.100 ( -10.638 -8.526 -3.528) 14.083 4.338 ( -5.270 -3.184 0.813) 6.211 4.388 ( -3.132 -1.021 -3.236) 4.618 4.584 ( 2.307 0.396 1.108) 2.590 4.654 ( 13.473 -2.743 -1.597) 13.842 4.837 ( -4.567 -0.207 7.095) 8.441 4.944 ( 5.418 7.655 -7.587) 12.063 5.032 ( 0.827 8.706 -12.540) 15.288 5.117 ( 5.723 1.014 -0.715) 5.856 5.201 ( -3.775 -9.202 -3.917) 10.690 5.343 ( -4.391 -2.742 2.580) 5.784 5.375 ( 8.055 3.072 3.348) 9.248 5.504 ( -0.551 -6.722 -3.520) 7.608 5.628 ( 0.329 -7.472 0.781) 7.520 5.730 ( 2.862 -2.349 -2.594) 4.521 5.789 ( 1.368 -0.015 1.664) 2.154 5.905 ( -2.471 5.334 5.527) 8.069 6.028 ( -0.705 -0.702 5.179) 5.274 6.047 ( 0.179 -0.348 -2.350) 2.382 6.112 ( 0.917 2.484 -0.101) 2.650 6.193 ( -1.893 6.020 -4.068) 7.509 6.262 ( 12.150 -1.938 -12.135) 17.282 6.423 ( 2.410 7.904 -6.850) 10.733 6.505 ( -0.093 -0.923 -7.706) 7.762 6.627 ( 0.776 0.395 1.034) 1.352 6.759 ( 1.262 -2.093 -1.261) 2.751 6.862 ( -0.826 -8.425 0.805) 8.503 6.965 ( -6.239 -9.056 -4.951) 12.061 7.079 ( -1.178 -6.212 2.900) 6.956 7.090 ( -2.352 -4.319 1.599) 5.171 7.201 ( -0.190 -3.836 -3.032) 4.894 7.297 ( -0.422 -1.105 -0.671) 1.360 7.315 ( -0.195 3.854 1.449) 4.122 7.363 ( -6.279 -1.524 -2.537) 6.942 7.393 ( -1.238 3.326 -0.256) 3.558 7.571 ( 10.902 -2.538 -0.788) 11.221 7.685 ( 5.524 -7.048 12.826) 15.643 7.852 ( 4.988 -8.099 7.628) 12.193 7.884 ( -1.685 -2.244 2.696) 3.892 8.103 ( 1.247 21.292 2.773) 21.508 8.402 ( -1.035 10.921 1.217) 11.037 8.465 ( 0.800 8.090 -1.897) 8.348 8.736 ( 2.453 2.913 -6.333) 7.389 8.836 ( -23.227 13.698 -3.924) 27.249 9.118 ( 5.297 2.354 -0.906) 5.867 9.144 ( -12.088 -2.833 -7.938) 14.736 9.288 ( 4.464 -1.919 -0.181) 4.863 9.418 ( -3.203 0.691 -0.668) 3.344 9.626 ( -12.878 -6.880 6.467) 15.969 9.931 ( 8.380 -6.580 -10.288) 14.811 10.129 ( -1.545 -10.872 -1.613) 11.099 10.554 ( 0.774 1.301 -3.391) 3.714 10.663 ( 5.397 -0.072 -1.964) 5.744 10.716 ( -3.246 1.126 -2.542) 4.274 10.969 ( -6.744 -1.419 -4.215) 8.079 11.366 ( 0.285 -1.207 5.916) 6.045 11.554 ( -6.969 -8.898 1.273) 11.374 11.827 ( -1.706 2.992 0.776) 3.531 11.965 ( -4.288 -5.815 -8.401) 11.080 12.143 ( 10.003 1.596 -1.008) 10.180 12.286 ( 4.607 2.330 -3.591) 6.288 12.362 ( 10.940 4.187 -1.671) 11.832 12.526 ( 7.829 -5.578 2.779) 10.006 12.589 ( 1.496 12.153 -3.809) 12.824 12.824 ( -5.642 -1.063 6.377) 8.581 12.866 ( -2.438 -6.241 -0.283) 6.706 12.885 ( -3.099 -1.261 0.022) 3.346 13.503 ( -3.312 3.321 3.087) 5.614 13.614 ( -5.616 3.133 3.777) 7.458 13.783 ( -0.886 5.069 5.937) 7.856 13.793 ( 0.642 3.434 6.988) 7.813 14.252 ( 10.131 -2.731 -9.757) 14.328 14.401 ( 4.969 -7.209 1.019) 8.814 14.499 ( 2.535 -4.249 1.173) 5.085 14.612 ( -2.124 -3.867 -4.735) 6.471 14.850 ( 2.783 -0.396 -5.088) 5.813 14.943 ( -0.663 6.338 -7.649) 9.955 15.099 ( 3.325 2.381 0.729) 4.155 15.250 ( 1.350 1.210 1.469) 2.333 15.319 ( -2.129 4.806 5.947) 7.937 15.459 ( -9.602 -4.225 1.501) 10.597 15.699 ( 13.100 -9.030 -5.741) 16.914 15.928 ( -0.152 -22.022 -0.449) 22.027 16.544 ( 11.460 18.385 -10.482) 24.067 16.954 ( -5.782 8.348 -7.240) 12.471 17.318 ( 6.798 7.414 -10.922) 14.848 17.523 ( -3.492 -1.957 -0.729) 4.069 18.224 ( 0.957 1.908 2.975) 3.661 18.317 ( -3.777 -1.337 3.824) 5.539 18.629 ( 2.412 -3.288 -6.001) 7.255 18.753 ( -2.235 -5.383 -13.347) 14.564 24.658 ( 3.816 -0.968 -3.442) 5.230 24.694 ( 6.621 -2.050 -6.921) 9.795 24.914 ( 6.949 -6.517 -2.142) 9.764 25.231 ( -3.678 -14.188 -6.151) 15.896 26.355 ( 0.566 0.599 3.576) 3.670 26.407 ( -2.123 -0.953 1.865) 2.982 26.490 ( 2.197 -1.740 2.393) 3.685 26.553 ( -0.913 -2.648 4.535) 5.330 27.887 ( 1.970 -0.889 -0.195) 2.171 27.984 ( -0.914 -0.223 4.885) 4.975 28.052 ( -0.496 -1.695 3.899) 4.281 28.107 ( -2.039 -0.259 4.708) 5.137 28.158 ( 0.870 7.903 1.041) 8.018 28.221 ( -2.518 6.182 1.206) 6.784 28.403 ( 0.350 9.729 2.790) 10.127 28.512 ( -5.442 8.417 -2.944) 10.447 28.701 ( 6.802 3.939 -2.907) 8.381 28.879 ( 2.102 2.408 7.081) 7.769 28.951 ( 0.397 0.245 5.456) 5.476 29.187 ( -15.700 -1.180 -2.138) 15.889 29.741 ( 3.127 -1.577 6.864) 7.706 29.903 ( 8.824 -2.650 -2.494) 9.545 29.970 ( 2.737 0.085 0.958) 2.901 30.021 ( -1.182 0.885 5.532) 5.726 30.173 ( 0.165 4.942 -0.627) 4.985 30.546 ( -9.014 1.692 -7.657) 11.947 30.768 ( 2.179 -4.416 -2.376) 5.468 30.994 ( -11.672 -8.524 6.753) 15.953 ======================= Grid point 42 (18/72) ======================= q-point: (-0.50 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -25.755 16.616 11.114) 32.602 1.733 ( 25.755 16.616 11.114) 32.602 1.777 ( -26.227 8.815 18.554) 33.314 1.777 ( 26.227 8.815 18.554) 33.314 2.814 ( -30.301 18.896 18.907) 40.407 2.814 ( 30.301 18.896 18.907) 40.407 3.246 ( -8.088 2.656 -3.194) 9.093 3.246 ( 8.088 2.656 -3.194) 9.093 3.469 ( -1.782 -1.878 4.434) 5.135 3.469 ( 1.782 -1.878 4.434) 5.135 3.627 ( -14.817 4.797 16.779) 22.893 3.627 ( 14.817 4.797 16.779) 22.893 4.023 ( -3.324 -14.073 -10.415) 17.820 4.023 ( 3.324 -14.073 -10.415) 17.820 4.321 ( -2.546 -3.602 -3.210) 5.455 4.321 ( 2.546 -3.602 -3.210) 5.455 4.671 ( -6.290 -0.264 3.457) 7.182 4.671 ( 6.290 -0.264 3.457) 7.182 4.937 ( -7.941 2.021 -4.995) 9.597 4.937 ( 7.941 2.021 -4.995) 9.597 5.099 ( -6.243 -0.942 -5.768) 8.552 5.099 ( 6.243 -0.942 -5.768) 8.552 5.229 ( -6.590 0.207 0.073) 6.593 5.229 ( 6.590 0.207 0.073) 6.593 5.479 ( -2.963 -3.460 -3.209) 5.573 5.479 ( 2.963 -3.460 -3.209) 5.573 5.664 ( -4.883 -2.508 2.516) 6.039 5.664 ( 4.883 -2.508 2.516) 6.039 5.877 ( -5.112 -0.042 -1.208) 5.253 5.877 ( 5.112 -0.042 -1.208) 5.253 6.017 ( -0.525 0.967 6.140) 6.238 6.017 ( 0.525 0.967 6.140) 6.238 6.148 ( -2.470 5.079 -2.775) 6.292 6.148 ( 2.470 5.079 -2.775) 6.292 6.428 ( -4.095 1.218 -9.272) 10.209 6.428 ( 4.095 1.218 -9.272) 10.209 6.559 ( -5.978 1.748 -5.369) 8.223 6.559 ( 5.978 1.748 -5.369) 8.223 6.826 ( -4.362 -4.689 -3.549) 7.322 6.826 ( 4.362 -4.689 -3.549) 7.322 6.977 ( -7.320 -11.049 -5.431) 14.323 6.977 ( 7.320 -11.049 -5.431) 14.323 7.138 ( -6.727 -2.548 1.830) 7.422 7.138 ( 6.727 -2.548 1.830) 7.422 7.268 ( -1.557 -1.630 0.655) 2.347 7.268 ( 1.557 -1.630 0.655) 2.347 7.362 ( -2.779 2.737 2.577) 4.675 7.362 ( 2.779 2.737 2.577) 4.675 7.752 ( -6.152 -4.882 -2.442) 8.224 7.752 ( 6.152 -4.882 -2.442) 8.224 7.866 ( -5.718 -4.644 15.000) 16.711 7.866 ( 5.718 -4.644 15.000) 16.711 8.262 ( -16.381 19.093 -2.017) 25.238 8.262 ( 16.381 19.093 -2.017) 25.238 8.482 ( -3.490 10.706 -0.596) 11.276 8.482 ( 3.490 10.706 -0.596) 11.276 8.902 ( -11.745 -0.691 -7.108) 13.746 8.902 ( 11.745 -0.691 -7.108) 13.746 9.296 ( -10.391 -0.867 5.110) 11.612 9.296 ( 10.391 -0.867 5.110) 11.612 9.415 ( -8.592 -1.835 0.848) 8.827 9.415 ( 8.592 -1.835 0.848) 8.827 10.069 ( -5.449 -8.547 -5.578) 11.570 10.069 ( 5.449 -8.547 -5.578) 11.570 10.626 ( -5.381 0.276 -2.715) 6.033 10.626 ( 5.381 0.276 -2.715) 6.033 10.814 ( -9.209 -0.656 -3.169) 9.761 10.814 ( 9.209 -0.656 -3.169) 9.761 11.428 ( -5.910 -5.086 1.207) 7.890 11.428 ( 5.910 -5.086 1.207) 7.890 11.859 ( -4.915 0.884 -2.205) 5.459 11.859 ( 4.915 0.884 -2.205) 5.459 12.291 ( -4.679 -0.865 -3.061) 5.658 12.291 ( 4.679 -0.865 -3.061) 5.658 12.534 ( -6.900 9.063 -3.165) 11.822 12.534 ( 6.900 9.063 -3.165) 11.822 12.696 ( -8.326 -3.686 5.899) 10.849 12.696 ( 8.326 -3.686 5.899) 10.849 12.838 ( -0.604 -2.406 -1.726) 3.022 12.838 ( 0.604 -2.406 -1.726) 3.022 13.507 ( -3.972 4.061 4.798) 7.435 13.507 ( 3.972 4.061 4.798) 7.435 13.796 ( -0.893 3.553 6.534) 7.491 13.796 ( 0.893 3.553 6.534) 7.491 14.398 ( -5.189 -6.973 -4.055) 9.592 14.398 ( 5.189 -6.973 -4.055) 9.592 14.553 ( -3.489 -3.722 -2.658) 5.753 14.553 ( 3.489 -3.722 -2.658) 5.753 14.908 ( -2.936 3.351 -5.902) 7.395 14.908 ( 2.936 3.351 -5.902) 7.395 15.223 ( -8.671 1.329 4.761) 9.981 15.223 ( 8.671 1.329 4.761) 9.981 15.299 ( -2.581 2.947 1.892) 4.350 15.299 ( 2.581 2.947 1.892) 4.350 15.881 ( -6.715 -20.285 -4.584) 21.854 15.881 ( 6.715 -20.285 -4.584) 21.854 16.785 ( -13.006 14.996 -13.897) 24.232 16.785 ( 13.006 14.996 -13.897) 24.232 17.433 ( -5.958 1.755 -3.038) 6.914 17.433 ( 5.958 1.755 -3.038) 6.914 18.260 ( -2.632 -0.123 3.603) 4.464 18.260 ( 2.632 -0.123 3.603) 4.464 18.690 ( -3.997 -5.003 -9.887) 11.779 18.690 ( 3.997 -5.003 -9.887) 11.779 24.712 ( -2.412 -0.427 -4.009) 4.698 24.712 ( 2.412 -0.427 -4.009) 4.698 25.109 ( -9.869 -13.702 -8.205) 18.774 25.109 ( 9.869 -13.702 -8.205) 18.774 26.373 ( -1.437 -0.266 2.668) 3.042 26.373 ( 1.437 -0.266 2.668) 3.042 26.527 ( -1.802 -2.331 3.536) 4.602 26.527 ( 1.802 -2.331 3.536) 4.602 27.939 ( -3.344 -0.282 1.901) 3.857 27.939 ( 3.344 -0.282 1.901) 3.857 28.067 ( -1.969 -0.837 5.288) 5.705 28.067 ( 1.969 -0.837 5.288) 5.705 28.181 ( -1.694 7.391 0.840) 7.629 28.181 ( 1.694 7.391 0.840) 7.629 28.430 ( -2.885 10.799 -0.150) 11.178 28.430 ( 2.885 10.799 -0.150) 11.178 28.863 ( -7.914 -1.096 0.985) 8.050 28.863 ( 7.914 -1.096 0.985) 8.050 28.969 ( -4.763 3.157 4.166) 7.071 28.969 ( 4.763 3.157 4.166) 7.071 29.827 ( -6.342 1.123 8.169) 10.403 29.827 ( 6.342 1.123 8.169) 10.403 30.044 ( -2.809 -0.929 1.164) 3.179 30.044 ( 2.809 -0.929 1.164) 3.179 30.324 ( -13.976 2.711 -5.843) 15.389 30.324 ( 13.976 2.711 -5.843) 15.389 30.836 ( -5.628 -5.490 1.305) 7.970 30.836 ( 5.628 -5.490 1.305) 7.970 ======================= Grid point 45 (19/72) ======================= q-point: ( 0.00 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 0.000 32.035 12.875) 34.526 1.765 ( 0.000 37.816 0.249) 37.817 2.664 ( 0.000 -0.614 4.696) 4.736 2.680 ( 0.000 9.338 4.012) 10.163 2.828 ( 0.000 15.519 7.022) 17.033 2.872 ( 0.000 16.459 16.139) 23.052 2.974 ( 0.000 -24.178 5.887) 24.884 3.257 ( 0.000 -23.974 -11.882) 26.757 3.437 ( 0.000 24.315 13.630) 27.875 3.515 ( 0.000 -3.708 1.675) 4.068 3.590 ( 0.000 1.397 9.188) 9.294 3.679 ( 0.000 -6.094 -2.530) 6.599 3.772 ( 0.000 -14.766 -1.115) 14.808 4.333 ( 0.000 3.659 5.512) 6.615 4.337 ( 0.000 5.736 -3.178) 6.557 4.409 ( 0.000 0.336 0.569) 0.661 4.528 ( 0.000 0.970 -0.237) 0.999 4.783 ( 0.000 3.881 4.458) 5.911 4.854 ( 0.000 -4.569 -1.468) 4.799 4.980 ( 0.000 4.746 5.210) 7.047 5.026 ( 0.000 -1.939 0.145) 1.945 5.170 ( 0.000 3.790 -10.313) 10.987 5.199 ( 0.000 -0.159 -0.386) 0.417 5.320 ( 0.000 -3.689 -0.022) 3.689 5.320 ( 0.000 -1.817 1.883) 2.616 5.355 ( 0.000 -5.468 -0.103) 5.469 5.578 ( 0.000 -6.738 1.664) 6.940 5.621 ( 0.000 8.439 3.022) 8.964 5.673 ( 0.000 -0.562 -0.792) 0.971 5.992 ( 0.000 -0.196 -3.228) 3.234 6.009 ( 0.000 -0.075 3.502) 3.503 6.098 ( 0.000 1.781 -7.167) 7.384 6.207 ( 0.000 12.739 -3.317) 13.164 6.222 ( 0.000 2.250 1.907) 2.950 6.297 ( 0.000 5.336 -7.725) 9.389 6.451 ( 0.000 -4.724 -1.586) 4.983 6.540 ( 0.000 5.087 -9.365) 10.657 6.541 ( 0.000 -14.876 -2.006) 15.011 6.656 ( 0.000 0.953 5.424) 5.507 6.722 ( 0.000 -2.686 5.462) 6.087 6.883 ( 0.000 -12.495 -1.469) 12.581 6.890 ( 0.000 -12.127 1.861) 12.269 7.106 ( 0.000 2.976 6.112) 6.798 7.113 ( 0.000 -5.332 6.210) 8.185 7.191 ( 0.000 -1.467 0.571) 1.574 7.356 ( 0.000 -1.034 6.745) 6.824 7.388 ( 0.000 -1.866 9.558) 9.738 7.435 ( 0.000 -0.786 -6.369) 6.417 7.448 ( 0.000 1.777 1.006) 2.042 7.629 ( 0.000 -7.013 2.814) 7.557 7.749 ( 0.000 6.260 6.542) 9.055 7.834 ( 0.000 0.243 -4.229) 4.236 8.478 ( 0.000 13.246 -1.250) 13.305 8.543 ( 0.000 3.821 -7.624) 8.528 8.675 ( 0.000 12.273 1.445) 12.357 8.869 ( 0.000 13.650 0.335) 13.654 9.055 ( 0.000 -7.208 1.478) 7.358 9.120 ( 0.000 10.136 3.349) 10.675 9.268 ( 0.000 -0.933 -13.580) 13.612 9.366 ( 0.000 -1.259 -18.341) 18.384 9.489 ( 0.000 1.702 -2.764) 3.246 9.534 ( 0.000 -8.860 0.381) 8.868 9.607 ( 0.000 -11.635 -13.990) 18.196 9.827 ( 0.000 -18.143 0.422) 18.148 10.511 ( 0.000 -2.050 1.183) 2.367 10.590 ( 0.000 -4.554 -3.074) 5.494 10.857 ( 0.000 5.223 -7.867) 9.443 10.999 ( 0.000 -1.911 -6.477) 6.753 11.446 ( 0.000 1.253 -2.347) 2.660 11.590 ( 0.000 6.904 6.498) 9.481 11.761 ( 0.000 -9.916 -5.434) 11.308 11.840 ( 0.000 -4.392 -4.426) 6.235 12.046 ( 0.000 4.066 -0.119) 4.068 12.221 ( 0.000 -3.406 4.839) 5.917 12.285 ( 0.000 5.045 -0.378) 5.059 12.482 ( 0.000 -0.501 -5.838) 5.860 12.775 ( 0.000 -0.663 5.283) 5.324 12.777 ( 0.000 5.396 -1.840) 5.701 12.889 ( 0.000 -1.313 0.899) 1.592 12.911 ( 0.000 2.183 3.416) 4.054 13.582 ( 0.000 -0.759 -0.879) 1.161 13.672 ( 0.000 1.839 -3.095) 3.600 13.808 ( 0.000 3.673 5.131) 6.310 14.002 ( 0.000 -0.965 -2.558) 2.734 14.109 ( 0.000 4.318 4.161) 5.996 14.240 ( 0.000 -3.246 0.786) 3.340 14.422 ( 0.000 0.303 1.679) 1.706 14.567 ( 0.000 -3.616 -3.071) 4.744 14.811 ( 0.000 1.563 -1.868) 2.436 15.024 ( 0.000 -1.554 -6.784) 6.960 15.175 ( 0.000 4.287 -1.607) 4.579 15.249 ( 0.000 2.579 -0.037) 2.579 15.302 ( 0.000 -6.387 2.575) 6.886 15.457 ( 0.000 4.886 5.973) 7.717 15.579 ( 0.000 -12.114 8.183) 14.619 15.623 ( 0.000 -1.536 0.372) 1.580 16.828 ( 0.000 17.658 -8.676) 19.674 17.110 ( 0.000 5.861 2.978) 6.575 17.259 ( 0.000 -5.171 -8.221) 9.712 17.464 ( 0.000 -6.229 -6.278) 8.844 18.300 ( 0.000 4.780 -0.908) 4.866 18.395 ( 0.000 4.381 1.554) 4.649 18.544 ( 0.000 -4.251 -5.374) 6.852 18.638 ( 0.000 -7.169 -8.151) 10.855 24.563 ( 0.000 1.720 -1.075) 2.029 24.625 ( 0.000 -1.205 -1.153) 1.668 24.850 ( 0.000 -0.402 -1.767) 1.813 25.019 ( 0.000 -9.340 -3.072) 9.832 26.385 ( 0.000 1.796 2.607) 3.165 26.423 ( 0.000 -0.033 3.406) 3.406 26.426 ( 0.000 -1.278 2.213) 2.556 26.505 ( 0.000 -2.555 3.185) 4.083 27.862 ( 0.000 0.726 2.503) 2.606 27.947 ( 0.000 -2.632 6.436) 6.954 28.052 ( 0.000 0.584 3.648) 3.695 28.101 ( 0.000 -1.288 4.788) 4.958 28.326 ( 0.000 5.823 -0.530) 5.847 28.428 ( 0.000 11.279 0.118) 11.279 28.495 ( 0.000 -1.776 -0.976) 2.026 28.595 ( 0.000 4.397 3.003) 5.325 28.791 ( 0.000 3.009 -0.272) 3.021 28.894 ( 0.000 -2.959 2.207) 3.691 28.978 ( 0.000 7.486 2.015) 7.753 29.296 ( 0.000 -7.046 -1.045) 7.123 29.656 ( 0.000 -0.787 -0.924) 1.214 29.679 ( 0.000 -2.091 2.702) 3.417 29.955 ( 0.000 0.857 1.028) 1.338 30.033 ( 0.000 -2.693 1.979) 3.341 30.301 ( 0.000 7.375 -1.342) 7.496 30.633 ( 0.000 -7.190 -3.293) 7.908 30.684 ( 0.000 3.389 -7.617) 8.337 30.915 ( 0.000 -8.603 -1.082) 8.671 ======================= Grid point 46 (20/72) ======================= q-point: ( 0.25 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 11.080 27.767 12.508) 32.407 1.898 ( 13.048 33.901 1.631) 36.362 2.400 ( -17.859 8.981 7.644) 21.402 2.562 ( -18.289 19.818 6.206) 27.672 2.844 ( 8.750 -4.745 0.562) 9.969 3.010 ( 2.351 -20.211 5.059) 20.967 3.035 ( 8.401 13.728 13.321) 20.892 3.233 ( -1.705 -17.661 -9.903) 20.320 3.476 ( -3.449 -6.439 2.289) 7.654 3.507 ( -2.133 4.224 10.336) 11.368 3.590 ( 6.598 8.976 8.253) 13.864 3.720 ( 4.511 2.289 3.051) 5.907 3.743 ( -1.820 -12.295 -2.824) 12.746 4.168 ( -9.341 8.159 1.182) 12.459 4.307 ( -6.340 0.896 4.249) 7.684 4.407 ( -8.355 -0.431 6.464) 10.572 4.619 ( 10.412 4.533 -1.024) 11.402 4.719 ( 2.437 5.707 3.214) 6.989 4.873 ( -4.152 4.522 5.901) 8.515 4.997 ( 5.627 -4.106 -4.540) 8.315 5.102 ( -3.284 3.194 -3.578) 5.813 5.130 ( 2.512 -0.097 -0.862) 2.658 5.191 ( 1.740 4.042 -6.926) 8.206 5.300 ( -1.530 -1.664 1.598) 2.769 5.351 ( -1.297 -6.396 -0.652) 6.558 5.355 ( 1.642 -6.104 2.353) 6.745 5.475 ( -0.991 -5.252 1.469) 5.543 5.621 ( -3.940 -9.936 -2.356) 10.946 5.846 ( 10.389 8.754 0.670) 13.602 5.987 ( -1.798 2.236 -1.365) 3.178 6.033 ( 3.044 1.959 3.312) 4.907 6.142 ( -2.369 6.865 -3.433) 8.032 6.170 ( 4.537 0.225 -7.693) 8.934 6.254 ( 3.942 5.698 -2.992) 7.547 6.339 ( 0.243 4.477 -3.658) 5.787 6.414 ( -2.313 -2.890 -3.717) 5.246 6.553 ( 1.081 -11.507 -0.472) 11.567 6.608 ( 1.885 0.827 -5.331) 5.715 6.631 ( 0.769 -5.464 0.764) 5.570 6.711 ( -0.663 -2.394 -1.689) 3.004 6.757 ( -1.971 -8.306 4.846) 9.817 6.988 ( 1.548 -4.415 6.779) 8.237 7.007 ( -8.940 2.274 2.486) 9.554 7.178 ( 1.591 -1.783 2.447) 3.420 7.190 ( 8.860 -7.232 0.146) 11.438 7.307 ( -5.758 -6.045 8.670) 12.036 7.373 ( -6.180 2.648 -1.279) 6.845 7.476 ( 0.861 3.292 -0.223) 3.410 7.532 ( 6.508 -0.893 -4.305) 7.854 7.595 ( 2.198 -3.485 12.113) 12.794 7.703 ( -1.798 -2.204 1.270) 3.115 7.853 ( -1.231 -2.021 2.707) 3.596 8.513 ( 4.303 12.917 -4.912) 14.474 8.580 ( 4.128 5.861 -5.157) 8.831 8.692 ( 0.805 13.220 0.957) 13.279 8.843 ( -2.341 9.594 -3.286) 10.408 9.042 ( -11.843 3.647 -9.111) 15.380 9.083 ( -10.684 1.268 -7.884) 13.338 9.148 ( 0.746 0.904 -1.332) 1.774 9.258 ( 1.491 -0.162 -4.297) 4.551 9.419 ( -5.417 -1.428 -0.429) 5.618 9.512 ( -5.244 -3.173 1.806) 6.390 9.712 ( 7.196 -13.104 -8.785) 17.340 9.833 ( 0.124 -17.398 -0.661) 17.411 10.540 ( 3.503 -0.552 -0.818) 3.639 10.644 ( 5.992 -3.155 -3.255) 7.513 10.781 ( -6.915 4.784 -5.565) 10.084 10.936 ( -6.440 -2.187 -5.703) 8.876 11.383 ( -1.380 3.792 -0.378) 4.053 11.535 ( -5.267 5.989 4.485) 9.150 11.762 ( 0.051 -10.527 -6.630) 12.441 11.858 ( -2.963 -4.346 -2.408) 5.785 12.155 ( 10.436 2.684 -0.639) 10.795 12.339 ( 12.915 -3.532 -3.238) 13.775 12.435 ( 8.830 6.901 1.021) 11.253 12.487 ( 2.773 2.261 0.461) 3.607 12.675 ( -4.000 -2.758 -0.679) 4.906 12.817 ( -2.477 0.273 0.826) 2.625 12.847 ( -4.231 -2.341 2.155) 5.294 12.854 ( -5.376 2.650 1.735) 6.240 13.561 ( 0.467 3.843 -0.939) 3.983 13.714 ( 0.177 4.602 -1.546) 4.858 13.813 ( 0.993 0.593 2.758) 2.991 13.903 ( -4.096 3.557 3.016) 6.207 14.221 ( 4.687 0.353 -3.471) 5.843 14.265 ( 3.326 -5.089 2.249) 6.482 14.422 ( 0.440 -2.656 2.044) 3.380 14.525 ( -3.904 -4.769 -4.407) 7.576 14.870 ( 5.863 3.010 0.101) 6.592 15.066 ( 2.103 2.981 -4.734) 5.977 15.150 ( -0.797 2.244 0.171) 2.387 15.272 ( 2.898 1.104 -1.401) 3.403 15.326 ( 1.055 -4.330 2.924) 5.330 15.414 ( -3.828 4.471 4.785) 7.585 15.532 ( -3.896 -14.330 1.090) 14.891 15.616 ( -1.402 -4.264 5.448) 7.059 16.906 ( 7.338 15.554 -9.179) 19.494 17.089 ( -0.884 6.663 -1.916) 6.989 17.338 ( 5.375 -4.903 -6.841) 9.986 17.445 ( -1.954 -5.560 -7.225) 9.324 18.296 ( -0.148 4.680 0.206) 4.687 18.350 ( -3.481 4.699 1.958) 6.167 18.547 ( 0.325 -4.870 -4.808) 6.851 18.617 ( -2.237 -7.269 -7.040) 10.363 24.640 ( 5.460 -0.344 -2.302) 5.936 24.662 ( 5.032 -1.047 -2.351) 5.652 24.828 ( -1.721 -1.762 -0.976) 2.649 24.981 ( -4.180 -9.525 -3.271) 10.904 26.384 ( -0.003 1.657 2.720) 3.185 26.403 ( -1.018 0.926 2.994) 3.295 26.451 ( 1.527 -1.904 2.650) 3.603 26.498 ( -0.759 -2.541 3.034) 4.029 27.885 ( 2.405 0.790 2.825) 3.793 27.964 ( 1.619 -2.076 6.273) 6.803 28.022 ( -2.876 0.107 3.710) 4.695 28.075 ( -2.565 -1.668 5.142) 5.984 28.333 ( 0.840 6.562 -0.356) 6.626 28.404 ( -2.246 10.324 0.199) 10.567 28.520 ( 2.204 -1.023 -0.912) 2.595 28.587 ( -0.869 3.358 1.709) 3.866 28.800 ( 1.717 3.807 -0.882) 4.268 28.923 ( 2.976 -1.325 2.574) 4.152 28.961 ( -2.344 3.689 1.485) 4.616 29.147 ( -10.693 -3.029 0.030) 11.114 29.727 ( 6.924 0.817 3.623) 7.857 29.845 ( 11.624 -3.167 -2.125) 12.234 29.974 ( 0.996 0.391 1.066) 1.510 30.014 ( -1.475 -1.147 2.651) 3.244 30.305 ( 1.395 7.625 -1.839) 7.967 30.599 ( -8.478 3.197 -6.739) 11.292 30.643 ( 1.078 -7.179 -2.743) 7.761 30.825 ( -7.916 -7.477 -0.471) 10.899 ======================= Grid point 47 (21/72) ======================= q-point: (-0.50 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( -16.172 18.248 11.019) 26.757 2.033 ( 16.172 18.248 11.019) 26.757 2.220 ( -16.366 27.029 3.765) 31.821 2.220 ( 16.366 27.029 3.765) 31.821 2.980 ( -5.292 -20.028 -0.810) 20.731 2.980 ( 5.292 -20.028 -0.810) 20.731 3.186 ( -5.653 5.534 2.460) 8.285 3.186 ( 5.653 5.534 2.460) 8.285 3.431 ( -1.172 -7.066 6.598) 9.739 3.431 ( 1.172 -7.066 6.598) 9.739 3.703 ( -3.084 -4.973 -1.773) 6.115 3.703 ( 3.084 -4.973 -1.773) 6.115 3.910 ( -15.395 14.365 11.303) 23.898 3.910 ( 15.395 14.365 11.303) 23.898 4.287 ( -4.082 0.204 4.574) 6.134 4.287 ( 4.082 0.204 4.574) 6.134 4.727 ( -4.588 5.915 1.317) 7.601 4.727 ( 4.588 5.915 1.317) 7.601 4.940 ( -9.414 0.621 1.420) 9.541 4.940 ( 9.414 0.621 1.420) 9.541 5.123 ( -3.851 1.133 -5.750) 7.012 5.123 ( 3.851 1.133 -5.750) 7.012 5.251 ( -3.610 2.239 0.835) 4.330 5.251 ( 3.610 2.239 0.835) 4.330 5.354 ( -1.506 -8.589 -2.055) 8.958 5.354 ( 1.506 -8.589 -2.055) 8.958 5.529 ( -5.481 -8.858 0.310) 10.421 5.529 ( 5.481 -8.858 0.310) 10.421 5.949 ( -2.563 5.469 -1.482) 6.219 5.949 ( 2.563 5.469 -1.482) 6.219 6.091 ( -2.284 6.455 0.866) 6.902 6.091 ( 2.284 6.455 0.866) 6.902 6.266 ( -5.286 1.318 -5.226) 7.549 6.266 ( 5.286 1.318 -5.226) 7.549 6.363 ( -4.475 -0.464 -4.922) 6.668 6.363 ( 4.475 -0.464 -4.922) 6.668 6.559 ( -1.058 -9.252 -1.963) 9.517 6.559 ( 1.058 -9.252 -1.963) 9.517 6.700 ( -4.283 -7.711 1.424) 8.935 6.700 ( 4.283 -7.711 1.424) 8.935 6.842 ( -8.452 3.980 0.973) 9.392 6.842 ( 8.452 3.980 0.973) 9.392 7.111 ( -12.856 -0.438 0.420) 12.870 7.111 ( 12.856 -0.438 0.420) 12.870 7.231 ( -3.859 -1.723 3.914) 5.760 7.231 ( 3.859 -1.723 3.914) 5.760 7.388 ( -7.525 -1.580 2.514) 8.090 7.388 ( 7.525 -1.580 2.514) 8.090 7.642 ( -4.983 -3.406 -1.996) 6.357 7.642 ( 4.983 -3.406 -1.996) 6.357 7.755 ( -9.043 -5.131 8.439) 13.391 7.755 ( 9.043 -5.131 8.439) 13.391 8.655 ( -7.251 9.649 -8.313) 14.656 8.655 ( 7.251 9.649 -8.313) 14.656 8.686 ( -9.771 12.506 -4.107) 16.393 8.686 ( 9.771 12.506 -4.107) 16.393 8.915 ( -5.124 4.762 -6.431) 9.502 8.915 ( 5.124 4.762 -6.431) 9.502 9.273 ( -8.288 -2.147 3.039) 9.084 9.273 ( 8.288 -2.147 3.039) 9.085 9.383 ( -7.196 0.044 1.038) 7.271 9.383 ( 7.196 0.044 1.038) 7.271 9.809 ( -3.163 -15.987 -3.827) 16.741 9.809 ( 3.163 -15.987 -3.827) 16.741 10.644 ( -7.261 2.385 -2.990) 8.207 10.644 ( 7.261 2.385 -2.990) 8.207 10.789 ( -8.799 -2.479 -4.263) 10.086 10.789 ( 8.799 -2.479 -4.263) 10.086 11.427 ( -5.241 4.982 0.705) 7.266 11.427 ( 5.241 4.982 0.705) 7.266 11.790 ( -3.114 -7.920 -3.835) 9.334 11.790 ( 3.114 -7.920 -3.835) 9.334 12.341 ( -8.472 6.242 -0.049) 10.524 12.341 ( 8.472 6.242 -0.049) 10.524 12.607 ( -7.792 -2.098 -4.848) 9.413 12.607 ( 7.792 -2.098 -4.848) 9.413 12.675 ( -10.613 1.716 2.765) 11.101 12.675 ( 10.613 1.716 2.765) 11.101 12.781 ( -0.581 -3.460 2.166) 4.123 12.781 ( 0.581 -3.460 2.166) 4.123 13.630 ( -6.211 7.674 -0.918) 9.915 13.630 ( 6.211 7.674 -0.918) 9.915 13.859 ( -2.538 0.877 3.088) 4.093 13.859 ( 2.538 0.877 3.088) 4.093 14.281 ( -2.438 -2.465 -1.477) 3.769 14.281 ( 2.438 -2.465 -1.477) 3.769 14.455 ( -3.124 -5.905 -1.791) 6.916 14.455 ( 3.124 -5.905 -1.791) 6.916 14.994 ( -6.846 5.604 0.941) 8.898 14.994 ( 6.846 5.604 0.941) 8.898 15.249 ( -8.048 -1.000 -0.067) 8.110 15.249 ( 8.048 -1.000 -0.067) 8.110 15.341 ( -3.991 1.783 -0.067) 4.372 15.341 ( 3.991 1.783 -0.067) 4.372 15.549 ( -4.713 -11.414 4.064) 13.000 15.549 ( 4.713 -11.414 4.064) 13.000 17.041 ( -5.634 10.879 -7.415) 14.320 17.041 ( 5.634 10.879 -7.415) 14.320 17.405 ( -2.285 -4.989 -7.662) 9.424 17.405 ( 2.285 -4.989 -7.662) 9.424 18.305 ( -1.290 4.648 2.152) 5.282 18.305 ( 1.290 4.648 2.152) 5.282 18.569 ( -2.301 -6.518 -5.368) 8.752 18.569 ( 2.301 -6.518 -5.368) 8.752 24.711 ( -2.603 0.664 -3.017) 4.039 24.711 ( 2.603 0.664 -3.017) 4.039 24.871 ( -6.874 -8.565 -2.259) 11.213 24.871 ( 6.874 -8.565 -2.259) 11.213 26.388 ( -0.496 1.575 2.926) 3.360 26.388 ( 0.496 1.575 2.926) 3.360 26.479 ( -1.352 -2.400 2.766) 3.903 26.479 ( 1.352 -2.400 2.766) 3.903 27.945 ( -3.711 0.914 3.623) 5.267 27.945 ( 3.711 0.914 3.623) 5.267 28.021 ( -2.921 -2.418 5.623) 6.782 28.021 ( 2.921 -2.418 5.623) 6.782 28.361 ( -2.144 8.410 0.013) 8.679 28.361 ( 2.144 8.410 0.013) 8.679 28.561 ( -1.965 1.215 -0.295) 2.329 28.561 ( 1.965 1.215 -0.295) 2.329 28.874 ( -5.832 2.498 -0.465) 6.362 28.874 ( 5.832 2.498 -0.465) 6.362 29.000 ( -5.299 -0.659 2.287) 5.809 29.000 ( 5.299 -0.659 2.287) 5.809 29.871 ( -7.290 3.076 2.695) 8.358 29.871 ( 7.290 3.076 2.695) 8.358 30.008 ( -1.889 -2.542 0.537) 3.213 30.008 ( 1.889 -2.542 0.537) 3.213 30.408 ( -10.043 5.449 -4.292) 12.206 30.408 ( 10.043 5.449 -4.292) 12.206 30.696 ( -5.043 -7.579 -1.302) 9.196 30.696 ( 5.043 -7.579 -1.302) 9.196 ======================= Grid point 50 (22/72) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 0.000 -27.827 4.627) 28.210 2.310 ( 0.000 27.827 4.627) 28.210 2.539 ( 0.000 -26.394 -5.680) 26.999 2.539 ( 0.000 26.394 -5.680) 26.999 2.727 ( 0.000 -4.655 1.346) 4.845 2.727 ( 0.000 4.655 1.346) 4.845 3.227 ( 0.000 -18.394 -1.291) 18.440 3.227 ( 0.000 18.394 -1.291) 18.440 3.300 ( 0.000 -12.990 8.401) 15.470 3.300 ( 0.000 12.990 8.401) 15.470 3.651 ( 0.000 -3.380 4.760) 5.838 3.651 ( 0.000 3.380 4.760) 5.838 4.082 ( 0.000 -25.718 11.282) 28.084 4.082 ( 0.000 25.718 11.282) 28.084 4.469 ( 0.000 -5.884 -0.335) 5.894 4.469 ( 0.000 5.884 -0.335) 5.894 4.652 ( 0.000 -13.590 1.173) 13.640 4.652 ( 0.000 13.590 1.173) 13.640 4.901 ( 0.000 -8.020 2.522) 8.407 4.901 ( 0.000 8.020 2.522) 8.407 5.151 ( 0.000 -9.268 6.972) 11.598 5.151 ( 0.000 9.268 6.972) 11.598 5.195 ( 0.000 -0.513 -5.090) 5.116 5.195 ( 0.000 0.513 -5.090) 5.116 5.372 ( 0.000 -3.330 -4.527) 5.620 5.372 ( 0.000 3.330 -4.527) 5.620 5.461 ( 0.000 -0.202 0.780) 0.806 5.461 ( 0.000 0.202 0.780) 0.806 5.968 ( 0.000 -4.341 -2.626) 5.074 5.968 ( 0.000 4.341 -2.626) 5.074 6.098 ( 0.000 -12.940 2.806) 13.241 6.098 ( 0.000 12.940 2.806) 13.241 6.216 ( 0.000 -10.201 -5.090) 11.400 6.216 ( 0.000 10.201 -5.090) 11.400 6.411 ( 0.000 -4.025 0.262) 4.034 6.411 ( 0.000 4.025 0.262) 4.034 6.504 ( 0.000 -12.523 -2.722) 12.816 6.504 ( 0.000 12.523 -2.722) 12.816 6.630 ( 0.000 -0.359 -5.020) 5.033 6.630 ( 0.000 0.359 -5.020) 5.033 6.744 ( 0.000 -0.726 2.904) 2.993 6.744 ( 0.000 0.726 2.904) 2.993 7.118 ( 0.000 -3.612 5.062) 6.219 7.118 ( 0.000 3.612 5.062) 6.219 7.236 ( 0.000 -7.349 16.085) 17.685 7.236 ( 0.000 7.349 16.085) 17.685 7.406 ( 0.000 -1.804 -3.471) 3.912 7.406 ( 0.000 1.804 -3.471) 3.912 7.501 ( 0.000 -4.105 2.750) 4.941 7.501 ( 0.000 4.105 2.750) 4.941 7.841 ( 0.000 -1.463 -1.752) 2.282 7.841 ( 0.000 1.463 -1.752) 2.282 8.589 ( 0.000 -0.007 -6.055) 6.055 8.589 ( 0.000 0.007 -6.055) 6.055 8.891 ( 0.000 -8.907 2.400) 9.224 8.891 ( 0.000 8.907 2.400) 9.224 9.232 ( 0.000 -16.325 -3.303) 16.655 9.232 ( 0.000 16.325 -3.303) 16.655 9.294 ( 0.000 -5.426 -15.715) 16.626 9.294 ( 0.000 5.426 -15.715) 16.626 9.414 ( 0.000 -17.254 -0.725) 17.270 9.414 ( 0.000 17.254 -0.725) 17.270 9.527 ( 0.000 -2.936 -3.209) 4.349 9.527 ( 0.000 2.936 -3.209) 4.349 10.510 ( 0.000 -2.181 -0.664) 2.280 10.510 ( 0.000 2.181 -0.664) 2.280 10.946 ( 0.000 -3.393 -7.576) 8.301 10.946 ( 0.000 3.393 -7.576) 8.301 11.558 ( 0.000 -8.695 -6.781) 11.026 11.558 ( 0.000 8.695 -6.781) 11.026 11.737 ( 0.000 -6.287 3.601) 7.245 11.737 ( 0.000 6.287 3.601) 7.245 12.129 ( 0.000 -4.490 1.018) 4.604 12.129 ( 0.000 4.490 1.018) 4.604 12.405 ( 0.000 -5.842 -2.943) 6.542 12.405 ( 0.000 5.842 -2.943) 6.542 12.826 ( 0.000 -0.484 -0.755) 0.896 12.826 ( 0.000 0.484 -0.755) 0.896 12.886 ( 0.000 -2.998 5.298) 6.087 12.886 ( 0.000 2.998 5.298) 6.087 13.629 ( 0.000 -4.022 -4.381) 5.947 13.629 ( 0.000 4.022 -4.381) 5.947 13.922 ( 0.000 -5.860 2.712) 6.457 13.922 ( 0.000 5.860 2.712) 6.457 14.183 ( 0.000 -2.878 1.808) 3.399 14.183 ( 0.000 2.878 1.808) 3.399 14.480 ( 0.000 -4.410 -1.238) 4.580 14.480 ( 0.000 4.410 -1.238) 4.580 14.900 ( 0.000 -6.884 -0.865) 6.938 14.900 ( 0.000 6.884 -0.865) 6.938 15.241 ( 0.000 -2.186 0.140) 2.190 15.241 ( 0.000 2.186 0.140) 2.190 15.360 ( 0.000 -7.943 1.019) 8.008 15.360 ( 0.000 7.943 1.019) 8.008 15.563 ( 0.000 -4.892 5.595) 7.432 15.563 ( 0.000 4.892 5.595) 7.432 17.101 ( 0.000 -9.603 -5.285) 10.961 17.101 ( 0.000 9.603 -5.285) 10.961 17.287 ( 0.000 -10.320 -3.730) 10.974 17.287 ( 0.000 10.320 -3.730) 10.974 18.424 ( 0.000 -6.879 -5.979) 9.114 18.424 ( 0.000 6.879 -5.979) 9.114 18.504 ( 0.000 -5.761 -0.527) 5.785 18.504 ( 0.000 5.761 -0.527) 5.785 24.597 ( 0.000 -1.524 -0.779) 1.712 24.597 ( 0.000 1.524 -0.779) 1.712 24.883 ( 0.000 -3.959 -2.542) 4.705 24.883 ( 0.000 3.959 -2.542) 4.705 26.405 ( 0.000 -0.703 2.715) 2.805 26.405 ( 0.000 0.703 2.715) 2.805 26.455 ( 0.000 -2.402 2.778) 3.673 26.455 ( 0.000 2.402 2.778) 3.673 27.895 ( 0.000 -2.261 4.731) 5.244 27.895 ( 0.000 2.261 4.731) 5.244 28.074 ( 0.000 -1.304 4.672) 4.850 28.074 ( 0.000 1.304 4.672) 4.850 28.427 ( 0.000 -4.224 -0.310) 4.236 28.427 ( 0.000 4.224 -0.310) 4.236 28.606 ( 0.000 -4.547 1.323) 4.735 28.606 ( 0.000 4.547 1.323) 4.735 28.835 ( 0.000 -2.184 0.415) 2.223 28.835 ( 0.000 2.184 0.415) 2.223 29.139 ( 0.000 -8.004 0.538) 8.022 29.139 ( 0.000 8.004 0.538) 8.022 29.652 ( 0.000 -0.516 1.175) 1.283 29.652 ( 0.000 0.516 1.175) 1.283 29.983 ( 0.000 -1.935 1.388) 2.381 29.983 ( 0.000 1.935 1.388) 2.381 30.468 ( 0.000 -8.485 -2.472) 8.837 30.468 ( 0.000 8.485 -2.472) 8.837 30.774 ( 0.000 -5.453 -5.754) 7.928 30.774 ( 0.000 5.453 -5.754) 7.928 ======================= Grid point 52 (23/72) ======================= q-point: ( 0.25 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 4.775 -27.009 4.005) 27.718 2.354 ( 4.775 27.009 4.005) 27.718 2.581 ( 1.132 -22.368 0.971) 22.418 2.581 ( 1.132 22.368 0.971) 22.418 2.686 ( -0.733 -23.064 -3.618) 23.357 2.686 ( -0.733 23.064 -3.618) 23.357 3.048 ( -12.283 -23.057 0.674) 26.133 3.048 ( -12.283 23.057 0.674) 26.133 3.433 ( 7.548 -14.519 5.498) 17.263 3.433 ( 7.548 14.519 5.498) 17.263 3.627 ( -2.714 -5.027 4.981) 7.579 3.627 ( -2.714 5.027 4.981) 7.579 4.117 ( 3.732 -20.264 10.375) 23.069 4.117 ( 3.732 20.264 10.375) 23.069 4.352 ( -8.376 -5.677 3.835) 10.820 4.352 ( -8.376 5.677 3.835) 10.820 4.769 ( 8.230 -6.514 -1.166) 10.561 4.769 ( 8.230 6.514 -1.166) 10.561 4.926 ( 1.730 -4.938 4.116) 6.657 4.926 ( 1.730 4.938 4.116) 6.657 5.161 ( -0.314 -5.000 -0.559) 5.041 5.161 ( -0.314 5.000 -0.559) 5.041 5.190 ( 0.201 -3.648 -0.954) 3.776 5.190 ( 0.201 3.648 -0.954) 3.776 5.348 ( -1.809 -4.813 -2.369) 5.661 5.348 ( -1.809 4.813 -2.369) 5.661 5.407 ( -3.865 -7.490 1.093) 8.499 5.407 ( -3.865 7.490 1.093) 8.499 6.021 ( 4.540 -2.119 -3.750) 6.258 6.021 ( 4.540 2.119 -3.750) 6.258 6.124 ( 1.341 -11.822 0.505) 11.909 6.124 ( 1.341 11.822 0.505) 11.909 6.236 ( 1.947 -8.178 -4.413) 9.495 6.236 ( 1.947 8.178 -4.413) 9.495 6.363 ( -3.454 -9.050 -1.405) 9.788 6.363 ( -3.454 9.050 -1.405) 9.788 6.479 ( -1.090 -5.329 -2.514) 5.992 6.479 ( -1.090 5.329 -2.514) 5.992 6.633 ( -3.275 -4.406 2.194) 5.912 6.633 ( -3.275 4.406 2.194) 5.912 6.836 ( 10.261 -10.034 -0.606) 14.364 6.836 ( 10.261 10.034 -0.606) 14.364 7.113 ( -2.054 -2.858 9.393) 10.030 7.113 ( -2.054 2.858 9.393) 10.030 7.157 ( -2.029 -5.085 5.944) 8.081 7.157 ( -2.029 5.085 5.944) 8.081 7.448 ( -2.831 -4.499 -2.781) 5.999 7.448 ( -2.831 4.499 -2.781) 5.999 7.534 ( 6.046 -0.960 4.397) 7.537 7.534 ( 6.046 0.960 4.397) 7.537 7.776 ( -6.007 -5.365 -0.524) 8.071 7.776 ( -6.007 5.365 -0.524) 8.071 8.627 ( 4.406 -1.364 -7.236) 8.581 8.627 ( 4.406 1.364 -7.236) 8.581 8.902 ( -1.802 -6.712 -1.702) 7.155 8.902 ( -1.802 6.712 -1.702) 7.155 9.122 ( -6.100 -4.542 -9.520) 12.185 9.122 ( -6.100 4.542 -9.520) 12.185 9.252 ( -4.392 -11.657 -1.884) 12.599 9.252 ( -4.392 11.657 -1.884) 12.599 9.436 ( 2.488 -13.604 -2.666) 14.084 9.436 ( 2.488 13.604 -2.666) 14.084 9.536 ( -0.721 -4.900 -0.585) 4.987 9.536 ( -0.721 4.900 -0.585) 4.987 10.568 ( 6.166 -3.135 -1.548) 7.089 10.568 ( 6.166 3.135 -1.548) 7.089 10.874 ( -7.145 -3.851 -6.027) 10.110 10.874 ( -7.145 3.851 -6.027) 10.110 11.535 ( 0.159 -10.065 -4.937) 11.212 11.535 ( 0.159 10.065 -4.937) 11.212 11.706 ( -5.261 -9.013 2.331) 10.693 11.706 ( -5.261 9.013 2.331) 10.693 12.252 ( 12.760 -5.089 -3.578) 14.196 12.252 ( 12.760 5.089 -3.578) 14.196 12.504 ( 8.594 -2.103 0.169) 8.849 12.504 ( 8.594 2.103 0.169) 8.849 12.732 ( -8.240 -6.964 1.313) 10.868 12.732 ( -8.240 6.964 1.313) 10.868 12.854 ( -4.833 -1.517 2.184) 5.517 12.854 ( -4.833 1.517 2.184) 5.517 13.674 ( 4.822 -5.949 -3.661) 8.488 13.674 ( 4.822 5.949 -3.661) 8.488 13.893 ( -3.645 -4.427 0.322) 5.744 13.893 ( -3.645 4.427 0.322) 5.744 14.225 ( 4.464 -0.595 2.446) 5.125 14.225 ( 4.464 0.595 2.446) 5.125 14.429 ( -4.760 -3.604 -1.080) 6.067 14.429 ( -4.760 3.604 -1.080) 6.067 14.979 ( 7.578 -7.006 0.116) 10.321 14.979 ( 7.578 7.006 0.116) 10.321 15.266 ( -0.998 -5.623 1.089) 5.814 15.266 ( -0.998 5.623 1.089) 5.814 15.313 ( -0.948 -3.497 0.670) 3.684 15.313 ( -0.948 3.497 0.670) 3.684 15.519 ( -4.793 -5.270 4.932) 8.664 15.519 ( -4.793 5.270 4.932) 8.664 17.152 ( 4.986 -7.624 -6.502) 11.192 17.152 ( 4.986 7.624 -6.502) 11.192 17.292 ( -0.264 -7.613 -4.676) 8.938 17.292 ( -0.264 7.613 -4.676) 8.938 18.413 ( -0.461 -5.533 -4.356) 7.057 18.413 ( -0.461 5.533 -4.356) 7.057 18.480 ( -2.487 -5.190 -0.566) 5.783 18.480 ( -2.487 5.190 -0.566) 5.783 24.645 ( 4.819 -0.653 -1.185) 5.005 24.645 ( 4.819 0.653 -1.185) 5.005 24.846 ( -3.845 -3.654 -2.395) 5.820 24.846 ( -3.845 3.654 -2.395) 5.820 26.412 ( 0.738 -1.393 2.698) 3.125 26.412 ( 0.738 1.393 2.698) 3.125 26.447 ( -0.755 -2.377 2.745) 3.709 26.447 ( -0.755 2.377 2.745) 3.709 27.917 ( 2.327 -2.147 4.808) 5.756 27.917 ( 2.327 2.147 4.808) 5.756 28.043 ( -3.138 -1.472 4.796) 5.917 28.043 ( -3.138 1.472 4.796) 5.917 28.449 ( 2.276 -4.723 -0.187) 5.246 28.449 ( 2.276 4.723 -0.187) 5.246 28.575 ( -3.114 -5.066 0.916) 6.017 28.575 ( -3.114 5.066 0.916) 6.017 28.867 ( 3.254 -3.157 0.443) 4.555 28.867 ( 3.254 3.157 0.443) 4.555 29.061 ( -6.494 -5.027 0.600) 8.235 29.061 ( -6.494 5.027 0.600) 8.235 29.775 ( 10.586 -3.393 0.815) 11.146 29.775 ( 10.586 3.393 0.815) 11.146 29.989 ( -0.017 -1.062 1.136) 1.555 29.989 ( -0.017 1.062 1.136) 1.555 30.474 ( 1.162 -8.505 -2.576) 8.962 30.474 ( 1.162 8.505 -2.576) 8.962 30.692 ( -7.940 -5.469 -4.804) 10.771 30.692 ( -7.940 5.469 -4.804) 10.771 ======================= Grid point 54 (24/72) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( -8.073 -22.766 3.827) 24.456 2.478 ( 8.053 -22.764 3.827) 24.448 2.478 ( -8.053 22.764 3.827) 24.448 2.478 ( 8.073 22.766 3.827) 24.456 2.822 ( -11.628 -26.409 -2.783) 28.990 2.822 ( 11.625 -26.409 -2.783) 28.988 2.822 ( -11.625 26.409 -2.783) 28.988 2.822 ( 11.628 26.409 -2.783) 28.990 3.552 ( -5.340 -9.444 5.358) 12.101 3.552 ( 5.333 -9.443 5.358) 12.096 3.552 ( -5.333 9.443 5.358) 12.096 3.552 ( 5.340 9.444 5.358) 12.101 4.212 ( -6.058 -9.790 7.843) 13.930 4.212 ( 4.866 -9.622 7.843) 13.333 4.212 ( -4.866 9.622 7.843) 13.333 4.212 ( 6.058 9.790 7.843) 13.930 4.899 ( -3.552 -7.309 1.337) 8.235 4.899 ( 0.744 -7.099 1.337) 7.262 4.899 ( -0.744 7.099 1.337) 7.262 4.899 ( 3.552 7.309 1.337) 8.235 5.172 ( -1.993 -6.033 -1.959) 6.649 5.172 ( 1.610 -6.005 -1.959) 6.518 5.172 ( -1.610 6.005 -1.959) 6.518 5.172 ( 1.993 6.033 -1.959) 6.649 5.351 ( -2.129 -7.433 0.607) 7.756 5.351 ( 2.046 -7.428 0.607) 7.728 5.351 ( -2.046 7.428 0.607) 7.728 5.351 ( 2.129 7.433 0.607) 7.756 6.102 ( -3.216 -9.152 -3.605) 10.349 6.102 ( 2.785 -9.116 -3.605) 10.191 6.102 ( -2.785 9.116 -3.605) 10.191 6.102 ( 3.216 9.152 -3.605) 10.349 6.290 ( -3.116 -10.921 -3.039) 11.756 6.290 ( 2.184 -10.864 -3.039) 11.491 6.290 ( -2.184 10.864 -3.039) 11.491 6.290 ( 3.116 10.921 -3.039) 11.756 6.532 ( -4.442 -8.692 1.066) 9.819 6.532 ( 1.353 -8.430 1.066) 8.604 6.532 ( -1.353 8.430 1.066) 8.604 6.532 ( 4.442 8.692 1.066) 9.819 7.005 ( -7.119 -8.859 7.763) 13.763 7.005 ( 7.092 -8.854 7.763) 13.746 7.005 ( -7.092 8.854 7.763) 13.746 7.005 ( 7.119 8.859 7.763) 13.763 7.290 ( -11.576 -5.966 -2.806) 13.322 7.290 ( -1.677 -1.672 -2.806) 3.672 7.290 ( 1.677 1.672 -2.806) 3.672 7.290 ( 11.576 5.966 -2.806) 13.322 7.659 ( -6.260 -3.692 2.602) 7.720 7.659 ( -0.140 -1.959 2.602) 3.260 7.659 ( 0.140 1.959 2.602) 3.260 7.659 ( 6.260 3.692 2.602) 7.720 8.759 ( -9.641 -2.487 -9.424) 13.710 8.759 ( -9.487 2.335 -9.424) 13.575 8.759 ( 9.487 -2.335 -9.424) 13.575 8.759 ( 9.641 2.487 -9.424) 13.710 9.150 ( -5.519 -10.931 -0.393) 12.252 9.150 ( 4.970 -10.865 -0.393) 11.954 9.150 ( -4.970 10.865 -0.393) 11.954 9.150 ( 5.519 10.931 -0.393) 12.252 9.493 ( -2.873 -11.801 -0.554) 12.158 9.493 ( 2.580 -11.784 -0.554) 12.076 9.493 ( -2.580 11.784 -0.554) 12.076 9.493 ( 2.873 11.801 -0.554) 12.158 10.716 ( -9.185 -4.082 -3.523) 10.651 10.716 ( -9.178 4.078 -3.523) 10.643 10.716 ( 9.178 -4.078 -3.523) 10.643 10.716 ( 9.185 4.082 -3.523) 10.651 11.591 ( -5.529 -9.937 -1.804) 11.514 11.591 ( 5.462 -9.928 -1.804) 11.474 11.591 ( -5.462 9.928 -1.804) 11.474 11.591 ( 5.529 9.937 -1.804) 11.514 12.502 ( -11.118 -7.420 -2.719) 13.640 12.502 ( -0.355 -4.919 -2.719) 5.631 12.502 ( 0.355 4.919 -2.719) 5.631 12.502 ( 11.118 7.420 -2.719) 13.640 12.715 ( -8.814 -2.439 2.561) 9.497 12.715 ( -8.153 1.773 2.561) 8.728 12.715 ( 8.153 -1.773 2.561) 8.728 12.715 ( 8.814 2.439 2.561) 9.497 13.790 ( -6.622 -6.775 -2.247) 9.736 13.790 ( 4.822 -6.383 -2.247) 8.309 13.790 ( -4.822 6.383 -2.247) 8.309 13.790 ( 6.622 6.775 -2.247) 9.736 14.327 ( -4.652 -5.371 0.828) 7.154 14.327 ( -0.011 -4.842 0.828) 4.912 14.327 ( 0.011 4.842 0.828) 4.912 14.327 ( 4.652 5.371 0.828) 7.154 15.138 ( -8.773 -7.769 1.086) 11.768 15.138 ( 7.073 -7.322 1.086) 10.238 15.138 ( -7.073 7.322 1.086) 10.238 15.138 ( 8.773 7.769 1.086) 11.768 15.404 ( -6.641 -4.163 2.657) 8.277 15.404 ( 1.199 -2.582 2.657) 3.894 15.404 ( -1.199 2.582 2.657) 3.894 15.404 ( 6.641 4.163 2.657) 8.277 17.249 ( -3.216 -9.229 -6.719) 11.860 17.249 ( 1.771 -9.131 -6.719) 11.474 17.249 ( -1.771 9.131 -6.719) 11.474 17.249 ( 3.216 9.229 -6.719) 11.860 18.430 ( -1.740 -6.806 -1.584) 7.201 18.430 ( 1.308 -6.782 -1.584) 7.086 18.430 ( -1.308 6.782 -1.584) 7.086 18.430 ( 1.740 6.806 -1.584) 7.201 24.751 ( -5.410 -3.308 -1.915) 6.624 24.751 ( -1.484 -2.043 -1.915) 3.170 24.751 ( 1.484 2.043 -1.915) 3.170 24.751 ( 5.410 3.308 -1.915) 6.624 26.430 ( -1.004 -2.294 2.696) 3.680 26.430 ( 0.920 -2.285 2.696) 3.652 26.430 ( -0.920 2.285 2.696) 3.652 26.430 ( 1.004 2.294 2.696) 3.680 27.975 ( -3.720 -1.924 4.898) 6.444 27.975 ( -0.297 -0.515 4.898) 4.934 27.975 ( 0.297 0.515 4.898) 4.934 27.975 ( 3.720 1.924 4.898) 6.444 28.507 ( -3.790 -5.482 0.219) 6.668 28.507 ( 3.644 -5.457 0.219) 6.566 28.507 ( -3.644 5.457 0.219) 6.566 28.507 ( 3.790 5.482 0.219) 6.668 28.948 ( -5.430 -3.830 0.554) 6.668 28.948 ( 5.354 -3.803 0.554) 6.591 28.948 ( -5.354 3.803 0.554) 6.591 28.948 ( 5.430 3.830 0.554) 6.668 29.943 ( -5.726 -3.490 0.609) 6.733 29.943 ( 0.122 -1.996 0.609) 2.091 29.943 ( -0.122 1.996 0.609) 2.091 29.943 ( 5.726 3.490 0.609) 6.733 30.541 ( -6.690 -7.254 -3.190) 10.371 30.541 ( 6.507 -7.212 -3.190) 10.224 30.541 ( -6.507 7.212 -3.190) 10.224 30.541 ( 6.690 7.254 -3.190) 10.371 ======================= Grid point 70 (25/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 0.000 0.000 38.266) 38.266 1.843 ( 0.000 0.000 41.400) 41.400 2.490 ( 0.000 0.000 54.777) 54.777 2.760 ( 0.000 0.000 11.419) 11.419 2.799 ( 0.000 0.000 5.219) 5.219 2.804 ( 0.000 0.000 7.925) 7.925 3.053 ( 0.000 0.000 -9.978) 9.978 3.349 ( 0.000 0.000 16.855) 16.855 3.581 ( 0.000 0.000 -7.318) 7.318 3.589 ( 0.000 0.000 -12.417) 12.417 3.740 ( 0.000 0.000 -3.961) 3.961 3.909 ( 0.000 0.000 26.412) 26.412 4.114 ( 0.000 0.000 -9.033) 9.033 4.217 ( 0.000 0.000 -9.707) 9.707 4.405 ( 0.000 0.000 -5.545) 5.545 4.408 ( 0.000 0.000 -7.590) 7.590 4.431 ( 0.000 0.000 -3.775) 3.775 4.659 ( 0.000 0.000 14.144) 14.144 4.674 ( 0.000 0.000 6.948) 6.948 4.703 ( 0.000 0.000 -8.475) 8.475 4.972 ( 0.000 0.000 -1.721) 1.721 5.088 ( 0.000 0.000 5.837) 5.837 5.273 ( 0.000 0.000 5.334) 5.334 5.308 ( 0.000 0.000 -6.772) 6.772 5.370 ( 0.000 0.000 -15.903) 15.903 5.464 ( 0.000 0.000 -6.382) 6.382 5.511 ( 0.000 0.000 2.485) 2.485 5.678 ( 0.000 0.000 -1.351) 1.351 5.842 ( 0.000 0.000 -11.155) 11.155 5.987 ( 0.000 0.000 -3.538) 3.538 5.989 ( 0.000 0.000 1.410) 1.410 6.015 ( 0.000 0.000 1.985) 1.985 6.016 ( 0.000 0.000 -10.161) 10.161 6.151 ( 0.000 0.000 1.495) 1.495 6.176 ( 0.000 0.000 -0.434) 0.434 6.256 ( 0.000 0.000 7.959) 7.959 6.348 ( 0.000 0.000 -0.475) 0.475 6.578 ( 0.000 0.000 -9.748) 9.748 6.635 ( 0.000 0.000 -16.570) 16.570 6.968 ( 0.000 0.000 -2.793) 2.793 7.072 ( 0.000 0.000 2.325) 2.325 7.083 ( 0.000 0.000 1.924) 1.924 7.135 ( 0.000 0.000 0.178) 0.178 7.142 ( 0.000 0.000 -3.121) 3.121 7.250 ( 0.000 0.000 -0.398) 0.398 7.327 ( 0.000 0.000 -1.536) 1.536 7.331 ( 0.000 0.000 -1.505) 1.505 7.352 ( 0.000 0.000 -1.741) 1.741 7.618 ( 0.000 0.000 11.904) 11.904 7.829 ( 0.000 0.000 7.475) 7.475 7.993 ( 0.000 0.000 2.909) 2.909 8.020 ( 0.000 0.000 5.703) 5.703 8.067 ( 0.000 0.000 0.352) 0.352 8.300 ( 0.000 0.000 4.693) 4.693 8.372 ( 0.000 0.000 0.448) 0.448 8.565 ( 0.000 0.000 -5.127) 5.127 8.687 ( 0.000 0.000 -11.840) 11.840 9.055 ( 0.000 0.000 5.958) 5.958 9.209 ( 0.000 0.000 -7.451) 7.451 9.351 ( 0.000 0.000 -4.284) 4.284 9.353 ( 0.000 0.000 4.324) 4.324 9.516 ( 0.000 0.000 -16.843) 16.843 9.906 ( 0.000 0.000 -9.131) 9.131 10.160 ( 0.000 0.000 -10.920) 10.920 10.444 ( 0.000 0.000 -7.123) 7.123 10.658 ( 0.000 0.000 2.884) 2.884 10.815 ( 0.000 0.000 0.241) 0.241 10.890 ( 0.000 0.000 -10.192) 10.192 11.620 ( 0.000 0.000 12.854) 12.854 11.870 ( 0.000 0.000 -5.460) 5.460 11.917 ( 0.000 0.000 3.614) 3.614 11.943 ( 0.000 0.000 -0.113) 0.113 11.984 ( 0.000 0.000 -2.648) 2.648 12.146 ( 0.000 0.000 -5.549) 5.549 12.166 ( 0.000 0.000 -3.663) 3.663 12.220 ( 0.000 0.000 1.217) 1.217 12.396 ( 0.000 0.000 -4.036) 4.036 12.877 ( 0.000 0.000 -4.848) 4.848 12.998 ( 0.000 0.000 0.473) 0.473 13.021 ( 0.000 0.000 0.686) 0.686 13.616 ( 0.000 0.000 5.852) 5.852 13.723 ( 0.000 0.000 2.038) 2.038 13.842 ( 0.000 0.000 10.600) 10.600 13.997 ( 0.000 0.000 12.839) 12.839 14.075 ( 0.000 0.000 4.365) 4.365 14.451 ( 0.000 0.000 4.119) 4.119 14.533 ( 0.000 0.000 -5.859) 5.859 14.608 ( 0.000 0.000 4.508) 4.508 14.690 ( 0.000 0.000 -5.699) 5.699 14.725 ( 0.000 0.000 -2.351) 2.351 15.089 ( 0.000 0.000 0.648) 0.648 15.298 ( 0.000 0.000 4.085) 4.085 15.300 ( 0.000 0.000 0.979) 0.979 15.378 ( 0.000 0.000 4.278) 4.278 15.818 ( 0.000 0.000 -7.244) 7.244 15.820 ( 0.000 0.000 -7.775) 7.775 16.302 ( 0.000 0.000 -10.598) 10.598 16.545 ( 0.000 0.000 -11.457) 11.457 17.114 ( 0.000 0.000 5.011) 5.011 17.650 ( 0.000 0.000 2.049) 2.049 18.196 ( 0.000 0.000 -1.835) 1.835 18.405 ( 0.000 0.000 -18.083) 18.083 18.425 ( 0.000 0.000 -0.169) 0.169 18.547 ( 0.000 0.000 -7.024) 7.024 24.485 ( 0.000 0.000 -1.295) 1.295 24.617 ( 0.000 0.000 -2.080) 2.080 24.852 ( 0.000 0.000 -3.409) 3.409 25.177 ( 0.000 0.000 -15.013) 15.013 26.412 ( 0.000 0.000 2.448) 2.448 26.485 ( 0.000 0.000 1.936) 1.936 26.531 ( 0.000 0.000 3.279) 3.279 26.698 ( 0.000 0.000 3.889) 3.889 27.886 ( 0.000 0.000 2.986) 2.986 28.068 ( 0.000 0.000 4.582) 4.582 28.075 ( 0.000 0.000 5.256) 5.256 28.181 ( 0.000 0.000 3.262) 3.262 28.211 ( 0.000 0.000 2.904) 2.904 28.331 ( 0.000 0.000 1.987) 1.987 28.341 ( 0.000 0.000 2.687) 2.687 28.424 ( 0.000 0.000 5.715) 5.715 28.548 ( 0.000 0.000 -1.827) 1.827 29.017 ( 0.000 0.000 9.624) 9.624 29.095 ( 0.000 0.000 7.603) 7.603 29.322 ( 0.000 0.000 -9.039) 9.039 29.597 ( 0.000 0.000 -5.513) 5.513 29.897 ( 0.000 0.000 5.275) 5.275 29.962 ( 0.000 0.000 1.270) 1.270 30.145 ( 0.000 0.000 6.204) 6.204 30.212 ( 0.000 0.000 5.048) 5.048 30.375 ( 0.000 0.000 -14.727) 14.727 30.715 ( 0.000 0.000 -3.847) 3.847 31.352 ( 0.000 0.000 -5.497) 5.497 ======================= Grid point 71 (26/72) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 9.235 0.000 33.307) 34.563 1.945 ( 10.648 0.000 36.937) 38.442 2.376 ( -23.997 0.000 16.792) 29.289 2.527 ( -17.167 0.000 16.360) 23.713 2.794 ( 21.542 0.000 45.822) 50.633 2.954 ( 4.965 0.000 -2.179) 5.422 3.037 ( -1.430 0.000 -9.608) 9.714 3.547 ( -0.546 0.000 -6.294) 6.318 3.607 ( -1.005 0.000 -4.786) 4.890 3.612 ( 15.478 0.000 20.864) 25.978 3.767 ( -11.323 0.000 26.465) 28.786 3.797 ( 5.692 0.000 -10.193) 11.675 4.016 ( -6.130 0.000 -10.310) 11.995 4.219 ( -0.520 0.000 -8.473) 8.489 4.282 ( -11.683 0.000 11.693) 16.530 4.319 ( -4.773 0.000 -6.186) 7.814 4.586 ( -3.596 0.000 -2.711) 4.503 4.637 ( 11.657 0.000 -1.344) 11.734 4.676 ( -4.137 0.000 -6.336) 7.567 4.754 ( 8.717 0.000 3.503) 9.395 4.956 ( -0.570 0.000 2.262) 2.333 5.113 ( 2.810 0.000 1.220) 3.064 5.274 ( -3.261 0.000 -4.179) 5.301 5.314 ( 3.271 0.000 -5.284) 6.214 5.415 ( -0.566 0.000 -11.100) 11.115 5.430 ( -8.519 0.000 2.168) 8.791 5.511 ( 8.762 0.000 -3.957) 9.614 5.750 ( 6.803 0.000 -1.214) 6.911 5.843 ( -5.771 0.000 1.834) 6.055 5.939 ( 5.398 0.000 -14.732) 15.690 5.973 ( -1.767 0.000 -3.513) 3.933 6.017 ( 2.289 0.000 -10.887) 11.125 6.106 ( -3.896 0.000 1.074) 4.042 6.139 ( -3.390 0.000 -0.683) 3.458 6.163 ( -2.111 0.000 2.959) 3.635 6.188 ( 2.726 0.000 -3.584) 4.503 6.386 ( 1.760 0.000 3.252) 3.698 6.517 ( -4.965 0.000 -13.300) 14.196 6.691 ( 5.413 0.000 -9.506) 10.939 6.860 ( -9.594 0.000 2.344) 9.876 7.049 ( 3.639 0.000 1.518) 3.943 7.084 ( 0.221 0.000 1.496) 1.512 7.116 ( -3.430 0.000 -5.183) 6.215 7.121 ( -1.352 0.000 0.143) 1.359 7.281 ( 2.930 0.000 -0.450) 2.964 7.308 ( -4.031 0.000 -5.111) 6.509 7.355 ( -1.438 0.000 0.489) 1.519 7.355 ( -0.066 0.000 -1.365) 1.367 7.726 ( 11.583 0.000 12.476) 17.024 7.860 ( 3.099 0.000 7.382) 8.006 7.960 ( -2.248 0.000 3.001) 3.749 7.993 ( -2.722 0.000 6.197) 6.769 8.097 ( 4.965 0.000 2.990) 5.796 8.310 ( 1.161 0.000 3.156) 3.363 8.367 ( -0.821 0.000 0.549) 0.987 8.617 ( 5.939 0.000 -4.800) 7.636 8.656 ( -10.359 0.000 -3.946) 11.085 9.020 ( -13.987 0.000 -7.426) 15.836 9.154 ( 10.670 0.000 3.655) 11.279 9.293 ( 1.996 0.000 -2.658) 3.324 9.393 ( 0.020 0.000 -0.066) 0.069 9.709 ( 14.380 0.000 -15.399) 21.070 9.773 ( -14.628 0.000 -4.616) 15.339 10.109 ( -5.643 0.000 -11.836) 13.112 10.421 ( 1.919 0.000 -4.478) 4.872 10.691 ( -6.319 0.000 -1.911) 6.601 10.703 ( 2.903 0.000 1.215) 3.147 10.888 ( -3.520 0.000 -5.341) 6.397 11.562 ( -3.382 0.000 7.091) 7.856 11.707 ( -10.087 0.000 1.836) 10.252 11.827 ( -3.150 0.000 2.751) 4.182 11.938 ( -7.103 0.000 -2.235) 7.446 12.140 ( 7.400 0.000 -1.122) 7.484 12.154 ( 9.993 0.000 -6.252) 11.788 12.272 ( 4.463 0.000 0.324) 4.474 12.274 ( 3.546 0.000 -5.831) 6.825 12.553 ( 12.935 0.000 -3.882) 13.505 12.822 ( -4.439 0.000 -5.576) 7.127 12.943 ( -3.901 0.000 1.316) 4.117 13.013 ( -4.369 0.000 3.015) 5.308 13.606 ( -0.360 0.000 6.590) 6.600 13.687 ( -3.431 0.000 3.544) 4.933 13.871 ( 2.705 0.000 10.025) 10.383 13.975 ( -2.166 0.000 11.645) 11.845 14.157 ( 9.438 0.000 -1.653) 9.582 14.487 ( -4.471 0.000 -5.884) 7.390 14.542 ( 6.001 0.000 3.121) 6.764 14.652 ( 2.059 0.000 2.830) 3.500 14.706 ( 1.290 0.000 -4.613) 4.790 14.726 ( 0.089 0.000 -2.462) 2.464 15.112 ( 4.562 0.000 0.799) 4.631 15.313 ( 1.467 0.000 4.054) 4.311 15.369 ( -0.934 0.000 4.216) 4.318 15.438 ( 4.564 0.000 -0.983) 4.669 15.722 ( 1.328 0.000 -9.042) 9.139 15.896 ( 8.117 0.000 -8.117) 11.479 16.276 ( -6.156 0.000 -16.318) 17.441 16.380 ( -14.428 0.000 -9.562) 17.309 17.251 ( 11.472 0.000 3.036) 11.867 17.600 ( -5.420 0.000 2.029) 5.787 18.223 ( 3.158 0.000 -1.439) 3.470 18.368 ( -2.874 0.000 -1.431) 3.210 18.453 ( 1.955 0.000 -14.332) 14.465 18.538 ( -1.357 0.000 -7.859) 7.975 24.563 ( 6.016 0.000 -4.186) 7.329 24.628 ( 0.972 0.000 -2.616) 2.791 24.883 ( 4.131 0.000 -5.625) 6.980 25.132 ( -4.827 0.000 -14.649) 15.424 26.413 ( 0.240 0.000 2.477) 2.489 26.453 ( -2.048 0.000 2.339) 3.108 26.577 ( 3.404 0.000 2.950) 4.505 26.683 ( -1.689 0.000 3.589) 3.967 27.922 ( 3.980 0.000 3.895) 5.569 28.065 ( -0.253 0.000 4.618) 4.625 28.069 ( -0.452 0.000 5.094) 5.114 28.147 ( -4.507 0.000 4.216) 6.172 28.223 ( 1.273 0.000 2.781) 3.058 28.298 ( -2.580 0.000 2.046) 3.293 28.314 ( -1.149 0.000 3.791) 3.961 28.391 ( -3.132 0.000 5.325) 6.178 28.640 ( 8.840 0.000 -2.075) 9.080 29.038 ( 2.115 0.000 8.924) 9.172 29.099 ( -0.075 0.000 7.568) 7.569 29.110 ( -15.209 0.000 -5.646) 16.223 29.819 ( 16.165 0.000 -9.154) 18.577 29.915 ( 2.002 0.000 4.691) 5.101 29.983 ( 1.210 0.000 0.633) 1.365 30.125 ( -1.406 0.000 7.632) 7.760 30.186 ( -2.491 0.000 4.975) 5.564 30.302 ( -7.795 0.000 -14.035) 16.054 30.776 ( 6.478 0.000 -1.596) 6.672 31.200 ( -13.736 0.000 -0.270) 13.739 ======================= Grid point 72 (27/72) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( -22.589 0.000 21.721) 31.338 1.916 ( 22.589 0.000 21.721) 31.338 2.206 ( -16.828 0.000 26.954) 31.776 2.206 ( 16.828 0.000 26.954) 31.776 3.009 ( -1.753 0.000 -7.539) 7.740 3.009 ( 1.753 0.000 -7.539) 7.740 3.290 ( -28.351 0.000 37.462) 46.980 3.290 ( 28.351 0.000 37.462) 46.980 3.568 ( -2.383 0.000 -3.359) 4.118 3.568 ( 2.383 0.000 -3.359) 4.118 3.912 ( -5.952 0.000 -12.179) 13.555 3.912 ( 5.952 0.000 -12.179) 13.555 4.016 ( -17.439 0.000 23.178) 29.006 4.016 ( 17.439 0.000 23.178) 29.006 4.238 ( -3.175 0.000 -6.770) 7.478 4.238 ( 3.175 0.000 -6.770) 7.478 4.589 ( -3.688 0.000 -11.247) 11.836 4.589 ( 3.688 0.000 -11.247) 11.836 4.785 ( -5.524 0.000 1.920) 5.849 4.785 ( 5.524 0.000 1.920) 5.849 5.095 ( -10.072 0.000 -1.881) 10.246 5.095 ( 10.072 0.000 -1.881) 10.246 5.259 ( -5.913 0.000 2.143) 6.290 5.259 ( 5.913 0.000 2.143) 6.290 5.372 ( -3.017 0.000 -9.428) 9.899 5.372 ( 3.017 0.000 -9.428) 9.899 5.702 ( -9.814 0.000 1.815) 9.980 5.702 ( 9.814 0.000 1.815) 9.980 5.889 ( -7.297 0.000 -1.871) 7.533 5.889 ( 7.297 0.000 -1.871) 7.533 6.024 ( -4.092 0.000 -15.520) 16.050 6.024 ( 4.092 0.000 -15.520) 16.050 6.081 ( -1.865 0.000 -0.718) 1.999 6.081 ( 1.865 0.000 -0.718) 1.999 6.168 ( -5.519 0.000 -3.717) 6.654 6.168 ( 5.519 0.000 -3.717) 6.654 6.434 ( -6.395 0.000 -6.723) 9.279 6.434 ( 6.395 0.000 -6.723) 9.279 6.772 ( -5.368 0.000 1.149) 5.490 6.772 ( 5.368 0.000 1.149) 5.490 7.085 ( -2.094 0.000 -4.004) 4.519 7.085 ( 2.094 0.000 -4.004) 4.519 7.096 ( -1.144 0.000 0.639) 1.311 7.096 ( 1.144 0.000 0.639) 1.311 7.280 ( -3.887 0.000 -0.801) 3.969 7.280 ( 3.887 0.000 -0.801) 3.969 7.334 ( -2.291 0.000 -0.792) 2.424 7.334 ( 2.291 0.000 -0.792) 2.424 7.905 ( -5.448 0.000 7.207) 9.034 7.905 ( 5.448 0.000 7.207) 9.034 7.929 ( -3.996 0.000 6.969) 8.033 7.929 ( 3.996 0.000 6.969) 8.033 8.325 ( -19.607 0.000 4.126) 20.036 8.325 ( 19.607 0.000 4.126) 20.036 8.340 ( -1.868 0.000 1.207) 2.224 8.340 ( 1.868 0.000 1.207) 2.224 8.780 ( -11.446 0.000 -5.487) 12.693 8.780 ( 11.446 0.000 -5.487) 12.693 9.344 ( -5.149 0.000 -2.080) 5.554 9.344 ( 5.149 0.000 -2.080) 5.554 9.465 ( -15.854 0.000 0.682) 15.868 9.465 ( 15.854 0.000 0.682) 15.868 9.952 ( -11.296 0.000 -13.867) 17.885 9.952 ( 11.296 0.000 -13.867) 17.885 10.540 ( -8.929 0.000 -5.467) 10.470 10.540 ( 8.929 0.000 -5.467) 10.470 10.796 ( -5.576 0.000 -0.724) 5.623 10.796 ( 5.576 0.000 -0.724) 5.623 11.564 ( -4.319 0.000 3.868) 5.798 11.564 ( 4.319 0.000 3.868) 5.798 11.829 ( -3.471 0.000 0.668) 3.535 11.829 ( 3.471 0.000 0.668) 3.535 12.265 ( -4.458 0.000 -4.236) 6.150 12.265 ( 4.458 0.000 -4.236) 6.150 12.294 ( -3.853 0.000 -3.347) 5.103 12.294 ( 3.853 0.000 -3.347) 5.103 12.746 ( -5.952 0.000 -5.534) 8.127 12.746 ( 5.952 0.000 -5.534) 8.127 12.907 ( -3.148 0.000 4.707) 5.663 12.907 ( 3.148 0.000 4.707) 5.663 13.625 ( -2.556 0.000 6.042) 6.561 13.625 ( 2.556 0.000 6.042) 6.561 13.926 ( -3.023 0.000 10.130) 10.571 13.926 ( 3.023 0.000 10.130) 10.571 14.355 ( -9.944 0.000 -5.608) 11.417 14.355 ( 9.944 0.000 -5.608) 11.417 14.632 ( -3.638 0.000 2.629) 4.488 14.632 ( 3.638 0.000 2.629) 4.488 14.724 ( -0.515 0.000 -3.102) 3.145 14.724 ( 0.515 0.000 -3.102) 3.145 15.276 ( -12.421 0.000 1.535) 12.515 15.276 ( 12.421 0.000 1.535) 12.515 15.344 ( -1.685 0.000 4.098) 4.431 15.344 ( 1.685 0.000 4.098) 4.431 16.026 ( -19.912 0.000 -18.490) 27.173 16.026 ( 19.912 0.000 -18.490) 27.173 16.106 ( -14.122 0.000 -8.651) 16.561 16.106 ( 14.122 0.000 -8.651) 16.561 17.456 ( -9.988 0.000 2.128) 10.212 17.456 ( 9.988 0.000 2.128) 10.212 18.300 ( -4.468 0.000 -0.405) 4.486 18.300 ( 4.468 0.000 -0.405) 4.486 18.497 ( -2.699 0.000 -11.307) 11.624 18.497 ( 2.699 0.000 -11.307) 11.624 24.631 ( -1.307 0.000 -3.783) 4.003 24.631 ( 1.307 0.000 -3.783) 4.003 25.008 ( -8.115 0.000 -11.984) 14.473 25.008 ( 8.115 0.000 -11.984) 14.473 26.424 ( -1.023 0.000 2.472) 2.675 26.424 ( 1.023 0.000 2.472) 2.675 26.638 ( -3.062 0.000 3.105) 4.361 26.638 ( 3.062 0.000 3.105) 4.361 28.028 ( -7.090 0.000 5.219) 8.804 28.028 ( 7.090 0.000 5.219) 8.804 28.063 ( -0.141 0.000 4.796) 4.798 28.063 ( 0.141 0.000 4.796) 4.798 28.254 ( -2.061 0.000 2.441) 3.195 28.254 ( 2.061 0.000 2.441) 3.195 28.332 ( -2.644 0.000 4.532) 5.247 28.332 ( 2.644 0.000 4.532) 5.247 28.845 ( -13.156 0.000 -3.323) 13.569 28.845 ( 13.156 0.000 -3.323) 13.569 29.080 ( -1.975 0.000 7.950) 8.191 29.080 ( 1.975 0.000 7.950) 8.191 29.965 ( -2.880 0.000 2.588) 3.872 29.965 ( 2.880 0.000 2.588) 3.872 30.100 ( -13.747 0.000 -12.095) 18.311 30.100 ( 13.747 0.000 -12.095) 18.311 30.135 ( -2.487 0.000 6.525) 6.983 30.135 ( 2.487 0.000 6.525) 6.983 30.948 ( -12.153 0.000 1.859) 12.294 30.948 ( 12.153 0.000 1.859) 12.294 ======================= Grid point 75 (28/72) ======================= q-point: ( 0.00 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 0.000 11.304 32.621) 34.524 1.740 ( 0.000 -1.741 35.681) 35.723 2.703 ( 0.000 9.425 22.527) 24.419 2.721 ( 0.000 -0.371 3.348) 3.368 2.879 ( 0.000 4.315 10.788) 11.619 2.979 ( 0.000 15.117 21.933) 26.638 3.207 ( 0.000 9.843 -6.583) 11.842 3.395 ( 0.000 7.450 14.037) 15.891 3.504 ( 0.000 -7.710 -11.036) 13.463 3.512 ( 0.000 -15.703 6.167) 16.871 3.603 ( 0.000 0.547 -8.602) 8.619 3.884 ( 0.000 -1.762 21.259) 21.332 4.008 ( 0.000 -10.178 -6.375) 12.009 4.209 ( 0.000 -0.631 -6.425) 6.455 4.367 ( 0.000 -1.053 -4.077) 4.211 4.386 ( 0.000 0.522 1.209) 1.317 4.584 ( 0.000 -0.972 10.741) 10.785 4.615 ( 0.000 13.651 -13.725) 19.358 4.793 ( 0.000 6.005 -2.922) 6.679 4.808 ( 0.000 4.229 6.371) 7.647 4.988 ( 0.000 1.775 -2.053) 2.714 5.018 ( 0.000 -4.081 -1.354) 4.300 5.226 ( 0.000 0.968 1.170) 1.518 5.296 ( 0.000 0.326 -1.651) 1.683 5.417 ( 0.000 -3.022 1.474) 3.363 5.506 ( 0.000 4.416 3.060) 5.373 5.571 ( 0.000 -7.110 -6.527) 9.651 5.633 ( 0.000 10.309 -9.927) 14.311 5.766 ( 0.000 -8.619 1.361) 8.726 5.839 ( 0.000 -4.299 -1.756) 4.644 6.016 ( 0.000 3.543 -4.249) 5.533 6.023 ( 0.000 -3.984 -4.499) 6.010 6.043 ( 0.000 0.098 -5.496) 5.497 6.169 ( 0.000 2.674 -2.453) 3.629 6.205 ( 0.000 0.403 3.605) 3.627 6.300 ( 0.000 4.800 1.360) 4.988 6.404 ( 0.000 3.596 0.757) 3.675 6.602 ( 0.000 0.809 -9.518) 9.552 6.671 ( 0.000 4.039 -11.777) 12.451 6.850 ( 0.000 -8.615 3.199) 9.190 7.075 ( 0.000 1.857 -1.702) 2.519 7.087 ( 0.000 -7.030 -2.042) 7.321 7.128 ( 0.000 -5.785 -1.390) 5.950 7.138 ( 0.000 -2.691 1.319) 2.997 7.220 ( 0.000 6.573 -3.482) 7.438 7.351 ( 0.000 2.173 1.103) 2.437 7.363 ( 0.000 0.808 -2.225) 2.367 7.401 ( 0.000 7.112 1.286) 7.227 7.498 ( 0.000 -8.623 11.502) 14.376 7.757 ( 0.000 -4.761 3.790) 6.086 7.884 ( 0.000 -7.487 -0.385) 7.497 8.083 ( 0.000 2.482 12.619) 12.860 8.239 ( 0.000 13.713 4.856) 14.547 8.384 ( 0.000 1.105 -0.763) 1.343 8.456 ( 0.000 11.046 3.625) 11.626 8.608 ( 0.000 4.585 -6.801) 8.202 8.725 ( 0.000 2.800 -21.495) 21.677 9.077 ( 0.000 1.802 3.475) 3.914 9.172 ( 0.000 -2.781 -4.818) 5.563 9.307 ( 0.000 -4.512 3.831) 5.919 9.369 ( 0.000 1.682 -4.490) 4.795 9.473 ( 0.000 -3.933 -15.145) 15.647 9.767 ( 0.000 -12.282 -5.863) 13.610 10.060 ( 0.000 -9.211 -8.510) 12.540 10.492 ( 0.000 3.670 -8.028) 8.827 10.625 ( 0.000 -3.085 3.021) 4.318 10.733 ( 0.000 -5.274 0.699) 5.320 10.869 ( 0.000 -1.772 -10.183) 10.336 11.558 ( 0.000 -6.759 4.918) 8.359 11.727 ( 0.000 -7.658 6.154) 9.824 11.769 ( 0.000 -8.312 -8.869) 12.155 11.910 ( 0.000 -3.329 1.068) 3.496 11.974 ( 0.000 2.971 1.636) 3.391 12.193 ( 0.000 4.483 -1.534) 4.738 12.222 ( 0.000 1.813 -0.230) 1.828 12.443 ( 0.000 15.620 -5.541) 16.574 12.485 ( 0.000 3.140 -0.869) 3.258 12.816 ( 0.000 -6.544 -6.867) 9.486 12.915 ( 0.000 -2.915 -0.356) 2.936 12.975 ( 0.000 -2.550 1.789) 3.115 13.650 ( 0.000 1.974 5.139) 5.505 13.708 ( 0.000 -3.761 3.330) 5.023 13.900 ( 0.000 5.948 5.367) 8.011 13.976 ( 0.000 -1.541 11.131) 11.237 14.115 ( 0.000 3.462 4.733) 5.864 14.387 ( 0.000 -4.849 4.193) 6.411 14.497 ( 0.000 -2.147 -6.433) 6.782 14.546 ( 0.000 -4.908 4.127) 6.412 14.756 ( 0.000 4.361 -3.029) 5.310 14.816 ( 0.000 7.329 -2.336) 7.692 15.057 ( 0.000 0.808 0.175) 0.827 15.247 ( 0.000 -2.278 0.918) 2.456 15.412 ( 0.000 -0.211 -0.111) 0.238 15.510 ( 0.000 11.871 1.002) 11.913 15.570 ( 0.000 -6.613 1.354) 6.750 15.990 ( 0.000 -17.480 -2.246) 17.623 16.220 ( 0.000 21.382 -10.231) 23.704 16.835 ( 0.000 14.966 -17.612) 23.112 17.118 ( 0.000 0.436 3.751) 3.776 17.553 ( 0.000 -8.569 -0.356) 8.576 18.227 ( 0.000 2.143 -1.697) 2.733 18.386 ( 0.000 -1.765 -16.384) 16.479 18.402 ( 0.000 -1.237 0.556) 1.356 18.541 ( 0.000 -0.663 -6.655) 6.688 24.500 ( 0.000 1.388 -1.305) 1.905 24.610 ( 0.000 -0.606 -1.980) 2.070 24.831 ( 0.000 -1.748 -3.292) 3.727 25.082 ( 0.000 -7.782 -11.059) 13.523 26.419 ( 0.000 0.696 2.482) 2.577 26.485 ( 0.000 -0.062 2.191) 2.192 26.512 ( 0.000 -1.258 3.796) 3.999 26.653 ( 0.000 -3.801 3.662) 5.279 27.900 ( 0.000 1.374 3.861) 4.099 28.113 ( 0.000 2.782 5.947) 6.565 28.134 ( 0.000 0.727 4.564) 4.621 28.179 ( 0.000 3.680 2.313) 4.346 28.213 ( 0.000 0.170 4.151) 4.155 28.295 ( 0.000 3.775 2.580) 4.572 28.474 ( 0.000 2.724 1.990) 3.374 28.555 ( 0.000 12.313 -1.572) 12.413 28.564 ( 0.000 2.656 0.761) 2.763 29.025 ( 0.000 0.731 8.537) 8.568 29.048 ( 0.000 -4.353 4.689) 6.398 29.316 ( 0.000 -0.857 -5.768) 5.831 29.603 ( 0.000 0.639 -4.408) 4.454 29.857 ( 0.000 -3.735 6.267) 7.296 29.966 ( 0.000 0.398 1.295) 1.354 30.147 ( 0.000 -0.889 5.224) 5.299 30.196 ( 0.000 0.137 1.578) 1.584 30.406 ( 0.000 2.822 -13.267) 13.563 30.669 ( 0.000 -4.313 -4.173) 6.001 31.176 ( 0.000 -14.428 -2.598) 14.660 ======================= Grid point 76 (29/72) ======================= q-point: ( 0.25 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 9.252 9.678 26.264) 29.480 1.921 ( 15.354 1.773 33.222) 36.641 2.433 ( -22.485 5.047 9.763) 25.028 2.575 ( -17.205 4.111 16.849) 24.430 2.883 ( 8.985 5.847 13.454) 17.203 3.142 ( 0.692 8.688 0.979) 8.770 3.179 ( 6.020 12.517 12.896) 18.953 3.463 ( 2.757 -2.932 -2.561) 4.770 3.499 ( -2.138 -11.024 5.907) 12.688 3.595 ( 5.751 -6.104 -6.901) 10.861 3.717 ( 12.433 1.984 7.225) 14.516 3.814 ( -4.468 2.257 19.912) 20.531 3.897 ( -8.128 -10.253 -6.575) 14.643 4.166 ( -2.082 -2.304 -0.013) 3.106 4.307 ( -3.513 1.319 -4.293) 5.702 4.438 ( -12.068 7.857 8.125) 16.535 4.621 ( 9.111 2.859 0.037) 9.549 4.631 ( 3.285 3.123 1.521) 4.781 4.753 ( 0.020 6.154 -9.284) 11.138 4.855 ( 1.388 5.743 -0.663) 5.945 4.942 ( -1.413 -0.723 1.874) 2.456 5.039 ( 2.760 -4.619 -6.012) 8.068 5.183 ( -0.866 0.434 2.518) 2.697 5.351 ( -0.721 -2.938 -6.162) 6.865 5.383 ( -1.702 -0.348 0.767) 1.899 5.517 ( -4.640 4.812 2.754) 7.230 5.592 ( 3.359 -5.633 -3.444) 7.408 5.639 ( 4.356 -0.309 -5.333) 6.893 5.779 ( 1.542 -0.328 -2.464) 2.925 5.903 ( 1.195 -2.670 -5.454) 6.189 5.981 ( 0.723 -0.702 -3.040) 3.202 6.059 ( 2.621 0.401 -4.167) 4.939 6.067 ( 2.799 1.428 -7.483) 8.116 6.162 ( -1.299 3.074 -1.468) 3.646 6.189 ( -0.942 0.034 6.142) 6.214 6.295 ( -1.024 6.111 -6.548) 9.015 6.451 ( 2.984 5.330 3.189) 6.891 6.510 ( -7.122 0.532 -12.389) 14.300 6.675 ( 1.349 -1.573 -9.380) 9.606 6.862 ( -0.124 -7.604 1.626) 7.777 6.913 ( -9.901 1.336 2.851) 10.390 7.025 ( -5.013 -7.758 -0.783) 9.270 7.150 ( -1.765 -0.422 -2.995) 3.502 7.164 ( 2.930 0.519 0.580) 3.031 7.225 ( 1.919 -1.788 -4.620) 5.313 7.315 ( -2.664 -0.556 -0.280) 2.736 7.372 ( -2.439 4.795 2.462) 5.916 7.398 ( 1.128 2.451 -0.855) 2.830 7.614 ( 9.463 -7.854 8.377) 14.879 7.838 ( -1.850 -6.081 4.020) 7.521 7.896 ( 11.947 -3.924 2.158) 12.759 8.102 ( 1.832 4.870 10.477) 11.698 8.202 ( -3.107 12.385 5.417) 13.870 8.407 ( 1.420 2.834 -2.203) 3.861 8.456 ( -0.199 10.595 3.715) 11.229 8.563 ( -7.525 -0.297 -8.819) 11.597 8.713 ( -1.825 2.924 -8.939) 9.581 8.987 ( -12.138 -3.121 -6.513) 14.124 9.168 ( 7.820 1.397 3.774) 8.795 9.285 ( 2.857 -1.261 -1.068) 3.300 9.381 ( -0.545 -0.745 -1.936) 2.145 9.626 ( 3.822 -6.147 -8.292) 11.007 9.711 ( -0.043 -6.987 -8.671) 11.136 10.019 ( -4.617 -8.462 -9.897) 13.815 10.458 ( 0.245 3.153 -4.902) 5.833 10.660 ( -1.045 -2.974 -0.984) 3.303 10.680 ( -0.138 -1.416 -0.033) 1.423 10.848 ( -3.372 -2.990 -6.333) 7.773 11.474 ( -4.067 -6.607 3.347) 8.450 11.616 ( -8.608 -3.770 5.593) 10.936 11.815 ( 1.401 -8.323 -5.216) 9.922 11.859 ( -2.542 0.343 1.346) 2.897 12.118 ( 9.395 0.858 -1.260) 9.518 12.222 ( 1.617 3.579 -2.939) 4.905 12.324 ( 8.451 2.937 -2.803) 9.376 12.449 ( 0.663 10.970 -6.438) 12.737 12.579 ( 8.728 0.889 -0.069) 8.774 12.782 ( -2.598 -3.654 -6.430) 7.838 12.879 ( -3.213 -3.113 0.314) 4.485 12.946 ( -4.132 -3.619 3.119) 6.317 13.610 ( -1.584 -0.458 6.067) 6.287 13.697 ( -3.265 0.992 3.623) 4.977 13.921 ( 2.349 2.978 7.668) 8.555 13.967 ( -0.538 -0.833 9.685) 9.736 14.158 ( 5.371 1.308 0.425) 5.544 14.425 ( -3.740 -5.932 -2.001) 7.292 14.475 ( 3.938 -3.448 -0.463) 5.254 14.574 ( 1.058 -5.702 2.178) 6.194 14.776 ( 2.023 5.302 -2.140) 6.065 14.832 ( 0.716 8.879 -2.481) 9.247 15.113 ( 6.074 0.810 0.675) 6.165 15.273 ( 2.946 -2.751 1.387) 4.263 15.364 ( -3.628 0.195 -0.665) 3.694 15.521 ( -5.857 0.819 3.884) 7.076 15.627 ( 8.678 -1.070 -2.232) 9.025 15.884 ( -5.414 -11.573 -3.183) 13.167 16.300 ( 5.525 17.662 -13.166) 22.712 16.691 ( -11.737 15.976 -16.114) 25.547 17.245 ( 9.603 -0.726 0.300) 9.635 17.517 ( -3.916 -7.500 -0.273) 8.465 18.245 ( 2.099 1.647 -1.239) 2.942 18.351 ( -2.412 -0.952 -0.915) 2.750 18.433 ( 2.113 -1.785 -12.624) 12.923 18.528 ( -1.607 -0.934 -7.288) 7.521 24.567 ( 5.480 0.508 -3.537) 6.542 24.624 ( 1.243 -0.348 -2.474) 2.791 24.846 ( 2.220 -3.117 -4.365) 5.805 25.041 ( -4.384 -7.526 -10.813) 13.885 26.421 ( 0.239 0.713 2.604) 2.710 26.455 ( -1.765 0.311 2.806) 3.330 26.551 ( 2.776 -1.903 3.246) 4.675 26.639 ( -1.479 -3.597 3.520) 5.246 27.934 ( 3.654 1.232 4.526) 5.946 28.093 ( -2.349 1.700 5.768) 6.456 28.142 ( 0.931 2.287 4.908) 5.494 28.182 ( 0.275 3.724 2.839) 4.690 28.209 ( -0.468 -0.960 4.103) 4.240 28.256 ( -3.320 4.681 2.324) 6.191 28.458 ( -1.384 5.298 1.696) 5.732 28.493 ( -3.535 8.994 1.525) 9.784 28.659 ( 7.742 2.820 -1.556) 8.386 29.024 ( -4.139 -2.289 3.322) 5.780 29.045 ( 0.725 -1.989 4.901) 5.339 29.157 ( -8.308 1.868 1.184) 8.597 29.799 ( 14.057 -1.388 -6.768) 15.663 29.883 ( 2.624 -2.860 5.337) 6.599 29.987 ( 1.692 0.274 0.648) 1.832 30.134 ( -0.859 -0.653 6.229) 6.322 30.174 ( -2.222 0.842 0.766) 2.496 30.338 ( -7.014 3.125 -12.073) 14.308 30.718 ( 5.266 -5.335 -2.298) 7.840 31.062 ( -10.594 -11.728 0.077) 15.804 ======================= Grid point 77 (30/72) ======================= q-point: (-0.50 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( -21.215 8.697 15.861) 27.879 2.008 ( 21.215 8.697 15.861) 27.879 2.242 ( -18.507 3.817 25.898) 32.059 2.242 ( 18.507 3.817 25.898) 32.059 3.042 ( -7.277 2.830 -1.838) 8.021 3.042 ( 7.277 2.830 -1.838) 8.021 3.392 ( -10.698 0.537 15.565) 18.895 3.392 ( 10.698 0.537 15.565) 18.895 3.546 ( -7.164 3.216 4.226) 8.918 3.546 ( 7.164 3.216 4.226) 8.918 3.772 ( -5.132 -10.888 -6.666) 13.760 3.772 ( 5.132 -10.888 -6.666) 13.760 4.056 ( -14.905 3.560 19.776) 25.019 4.056 ( 14.905 3.560 19.776) 25.019 4.257 ( -1.069 3.156 -2.838) 4.377 4.257 ( 1.069 3.156 -2.838) 4.377 4.671 ( -3.243 5.611 -4.511) 7.896 4.671 ( 3.243 5.611 -4.511) 7.896 4.808 ( -4.000 2.087 -3.978) 6.015 4.808 ( 4.000 2.087 -3.978) 6.015 5.045 ( -4.888 -2.114 -0.919) 5.405 5.045 ( 4.888 -2.114 -0.919) 5.405 5.232 ( -7.634 0.066 -0.165) 7.636 5.232 ( 7.634 0.066 -0.165) 7.636 5.413 ( -3.929 0.330 -3.418) 5.218 5.413 ( 3.929 0.330 -3.418) 5.218 5.670 ( -2.873 -6.891 -1.421) 7.600 5.670 ( 2.873 -6.891 -1.421) 7.600 5.835 ( -5.112 2.737 -3.054) 6.553 5.835 ( 5.112 2.737 -3.054) 6.553 6.045 ( -3.448 1.009 -3.335) 4.902 6.045 ( 3.448 1.009 -3.335) 4.902 6.155 ( -1.284 3.674 1.425) 4.145 6.155 ( 1.284 3.674 1.425) 4.145 6.212 ( -6.710 3.242 -10.653) 13.000 6.212 ( 6.710 3.242 -10.653) 13.000 6.444 ( -4.762 1.587 -8.290) 9.691 6.444 ( 4.762 1.587 -8.290) 9.691 6.761 ( -7.695 0.229 1.297) 7.807 6.761 ( 7.695 0.229 1.297) 7.807 6.917 ( -4.742 -9.210 -0.900) 10.398 6.917 ( 4.742 -9.210 -0.900) 10.398 7.159 ( -3.477 -2.653 -1.927) 4.779 7.159 ( 3.477 -2.653 -1.927) 4.779 7.265 ( -5.459 1.782 1.196) 5.865 7.265 ( 5.459 1.782 1.196) 5.865 7.377 ( -2.806 3.049 -1.003) 4.263 7.377 ( 2.806 3.049 -1.003) 4.263 7.764 ( -5.980 -7.296 4.729) 10.552 7.764 ( 5.980 -7.296 4.729) 10.552 8.137 ( -3.375 4.097 9.896) 11.229 8.137 ( 3.375 4.097 9.896) 11.229 8.232 ( -18.973 0.855 -1.029) 19.020 8.232 ( 18.973 0.855 -1.029) 19.020 8.453 ( -1.475 8.872 -1.005) 9.050 8.453 ( 1.475 8.872 -1.005) 9.050 8.784 ( -8.773 -0.156 -4.633) 9.922 8.784 ( 8.773 -0.156 -4.633) 9.922 9.325 ( -5.763 -1.658 -1.947) 6.305 9.325 ( 5.763 -1.658 -1.947) 6.305 9.439 ( -12.692 -2.070 0.722) 12.880 9.439 ( 12.692 -2.070 0.722) 12.880 9.889 ( -9.650 -6.484 -12.412) 17.007 9.889 ( 9.650 -6.484 -12.412) 17.007 10.542 ( -7.428 0.372 -5.323) 9.147 10.542 ( 7.428 0.372 -5.323) 9.147 10.763 ( -5.214 -2.542 -1.218) 5.927 10.763 ( 5.214 -2.542 -1.218) 5.927 11.479 ( -4.665 -4.796 3.807) 7.698 11.479 ( 4.665 -4.796 3.807) 7.698 11.828 ( -0.853 -1.791 -0.671) 2.094 11.828 ( 0.853 -1.791 -0.671) 2.094 12.236 ( -2.245 1.253 -2.336) 3.473 12.236 ( 2.245 1.253 -2.336) 3.473 12.424 ( -3.057 5.746 -7.677) 10.065 12.424 ( 3.057 5.746 -7.677) 10.065 12.743 ( -5.223 0.039 -2.670) 5.866 12.743 ( 5.223 0.039 -2.670) 5.866 12.844 ( -3.265 -4.238 3.424) 6.352 12.844 ( 3.265 -4.238 3.424) 6.352 13.625 ( -3.141 0.406 5.745) 6.560 13.625 ( 3.141 0.406 5.745) 6.560 13.955 ( -1.135 1.635 8.717) 8.941 13.955 ( 1.135 1.635 8.717) 8.941 14.298 ( -8.480 -3.930 -3.891) 10.124 14.298 ( 8.480 -3.930 -3.891) 10.124 14.554 ( -3.144 -5.790 1.540) 6.766 14.554 ( 3.144 -5.790 1.540) 6.766 14.818 ( -2.020 7.932 -1.874) 8.397 14.818 ( 2.020 7.932 -1.874) 8.397 15.257 ( -7.707 -0.331 -0.798) 7.756 15.257 ( 7.707 -0.331 -0.798) 7.756 15.370 ( -7.082 0.271 4.525) 8.408 15.370 ( 7.082 0.271 4.525) 8.408 15.788 ( -7.402 -10.085 -4.322) 13.235 15.788 ( 7.402 -10.085 -4.322) 13.235 16.459 ( -12.245 19.496 -16.761) 28.477 16.459 ( 12.245 19.496 -16.761) 28.477 17.409 ( -7.741 -4.476 -0.249) 8.945 17.409 ( 7.741 -4.476 -0.249) 8.945 18.299 ( -3.253 0.175 -0.085) 3.259 18.299 ( 3.253 0.175 -0.085) 3.259 18.482 ( -3.069 -1.469 -10.065) 10.625 18.482 ( 3.069 -1.469 -10.065) 10.625 24.632 ( -1.166 0.185 -3.544) 3.735 24.632 ( 1.166 0.185 -3.544) 3.735 24.933 ( -6.599 -6.212 -8.660) 12.535 24.933 ( 6.599 -6.212 -8.660) 12.535 26.430 ( -0.906 0.660 2.818) 3.033 26.430 ( 0.906 0.660 2.818) 3.033 26.601 ( -2.532 -2.924 3.293) 5.080 26.601 ( 2.532 -2.924 3.293) 5.080 28.021 ( -5.139 0.713 5.630) 7.656 28.021 ( 5.139 0.713 5.630) 7.656 28.168 ( -1.770 4.332 4.914) 6.786 28.168 ( 1.770 4.332 4.914) 6.786 28.212 ( -1.215 1.415 2.312) 2.971 28.212 ( 1.215 1.415 2.312) 2.971 28.449 ( -0.916 7.682 1.826) 7.949 28.449 ( 0.916 7.682 1.826) 7.949 28.839 ( -11.423 -0.334 -2.420) 11.681 28.839 ( 11.423 -0.334 -2.420) 11.681 29.086 ( -2.478 0.216 6.471) 6.933 29.086 ( 2.478 0.216 6.471) 6.933 29.933 ( -1.576 -2.213 1.280) 3.003 29.933 ( 1.576 -2.213 1.280) 3.003 30.071 ( -7.675 -1.951 -1.073) 7.991 30.071 ( 7.675 -1.951 -1.073) 7.991 30.193 ( -6.223 4.296 -3.611) 8.380 30.193 ( 6.223 4.296 -3.611) 8.380 30.860 ( -10.022 -7.893 0.779) 12.781 30.860 ( 10.022 -7.893 0.779) 12.781 ======================= Grid point 80 (31/72) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 0.000 18.109 14.397) 23.134 2.002 ( 0.000 20.979 20.848) 29.576 2.725 ( 0.000 -2.514 -1.887) 3.143 2.758 ( 0.000 -3.055 5.819) 6.572 2.975 ( 0.000 6.335 5.411) 8.331 3.050 ( 0.000 -20.031 -3.373) 20.313 3.079 ( 0.000 -22.058 3.897) 22.400 3.195 ( 0.000 6.107 12.734) 14.123 3.517 ( 0.000 3.750 -0.336) 3.765 3.608 ( 0.000 1.342 -0.011) 1.342 3.709 ( 0.000 -4.323 2.299) 4.897 3.838 ( 0.000 -2.840 13.413) 13.710 3.895 ( 0.000 18.527 17.476) 25.469 4.296 ( 0.000 9.952 -1.199) 10.024 4.383 ( 0.000 2.051 -3.654) 4.190 4.432 ( 0.000 3.322 4.035) 5.227 4.600 ( 0.000 -0.066 7.001) 7.002 4.794 ( 0.000 1.148 -1.827) 2.158 4.830 ( 0.000 0.761 -9.182) 9.213 4.908 ( 0.000 8.312 -3.499) 9.019 5.040 ( 0.000 1.857 1.001) 2.110 5.083 ( 0.000 6.025 4.402) 7.462 5.242 ( 0.000 -3.429 -7.040) 7.831 5.256 ( 0.000 -0.081 5.392) 5.393 5.352 ( 0.000 -1.961 1.738) 2.621 5.420 ( 0.000 -4.847 2.804) 5.600 5.559 ( 0.000 -7.785 -4.385) 8.935 5.624 ( 0.000 -9.119 1.202) 9.197 5.768 ( 0.000 12.581 5.174) 13.603 5.859 ( 0.000 3.855 -8.726) 9.539 5.952 ( 0.000 0.941 -2.925) 3.073 6.102 ( 0.000 3.862 -5.811) 6.978 6.136 ( 0.000 8.382 -4.342) 9.440 6.189 ( 0.000 1.709 5.951) 6.191 6.249 ( 0.000 3.795 -2.046) 4.312 6.393 ( 0.000 3.226 -6.073) 6.876 6.427 ( 0.000 -6.114 0.441) 6.130 6.492 ( 0.000 -6.767 -3.136) 7.458 6.735 ( 0.000 -6.401 0.464) 6.418 6.756 ( 0.000 1.561 -7.311) 7.476 6.867 ( 0.000 -9.235 1.465) 9.350 6.875 ( 0.000 -11.150 3.616) 11.721 7.151 ( 0.000 0.609 -0.606) 0.860 7.234 ( 0.000 12.328 1.889) 12.472 7.297 ( 0.000 -6.919 8.942) 11.306 7.354 ( 0.000 3.908 -3.764) 5.426 7.379 ( 0.000 0.436 1.108) 1.190 7.382 ( 0.000 1.037 -0.246) 1.066 7.581 ( 0.000 7.219 2.827) 7.753 7.669 ( 0.000 -4.841 0.536) 4.870 7.759 ( 0.000 -3.061 -0.705) 3.141 8.015 ( 0.000 -9.952 14.999) 18.001 8.430 ( 0.000 3.302 -2.642) 4.228 8.453 ( 0.000 4.398 -1.323) 4.593 8.694 ( 0.000 12.070 0.699) 12.090 8.763 ( 0.000 1.249 -27.851) 27.879 8.802 ( 0.000 13.386 -6.462) 14.864 9.040 ( 0.000 -4.307 -7.384) 8.548 9.159 ( 0.000 -9.610 1.254) 9.692 9.213 ( 0.000 7.471 4.647) 8.798 9.356 ( 0.000 -7.735 -12.180) 14.429 9.415 ( 0.000 2.554 -3.595) 4.410 9.541 ( 0.000 -6.755 -0.414) 6.768 9.802 ( 0.000 -15.493 -3.955) 15.989 10.528 ( 0.000 -0.874 -3.178) 3.296 10.551 ( 0.000 -3.418 2.490) 4.229 10.700 ( 0.000 2.345 -5.993) 6.436 10.825 ( 0.000 -2.412 -9.891) 10.181 11.402 ( 0.000 -4.164 -2.307) 4.760 11.576 ( 0.000 -9.356 -9.460) 13.305 11.744 ( 0.000 4.832 8.557) 9.827 11.862 ( 0.000 -1.370 2.859) 3.171 12.021 ( 0.000 2.274 -2.640) 3.484 12.281 ( 0.000 0.105 1.225) 1.229 12.287 ( 0.000 4.012 0.324) 4.026 12.378 ( 0.000 -7.911 -4.584) 9.144 12.697 ( 0.000 7.945 -5.516) 9.672 12.783 ( 0.000 1.601 -4.048) 4.353 12.898 ( 0.000 1.171 -0.639) 1.334 12.954 ( 0.000 0.440 0.334) 0.552 13.615 ( 0.000 -3.702 4.290) 5.666 13.656 ( 0.000 -1.791 1.588) 2.394 13.964 ( 0.000 1.112 10.175) 10.236 14.010 ( 0.000 3.492 3.147) 4.701 14.187 ( 0.000 2.738 3.484) 4.432 14.281 ( 0.000 -4.777 3.011) 5.646 14.462 ( 0.000 -2.336 2.025) 3.092 14.470 ( 0.000 -0.835 -4.350) 4.430 14.838 ( 0.000 3.804 2.460) 4.530 14.941 ( 0.000 2.823 -0.741) 2.918 15.126 ( 0.000 4.942 -2.430) 5.507 15.247 ( 0.000 2.540 0.199) 2.548 15.331 ( 0.000 -4.930 -0.194) 4.934 15.564 ( 0.000 3.663 4.012) 5.433 15.564 ( 0.000 -8.627 -2.838) 9.082 15.755 ( 0.000 -3.581 5.464) 6.533 16.650 ( 0.000 19.613 -8.919) 21.546 17.045 ( 0.000 5.254 -13.264) 14.267 17.133 ( 0.000 0.909 -0.466) 1.022 17.337 ( 0.000 -11.681 -5.238) 12.802 18.253 ( 0.000 0.696 -3.565) 3.632 18.337 ( 0.000 -2.832 -12.303) 12.625 18.415 ( 0.000 2.433 -0.181) 2.440 18.518 ( 0.000 -1.620 -5.254) 5.498 24.538 ( 0.000 2.098 -1.293) 2.464 24.596 ( 0.000 -0.764 -1.669) 1.836 24.797 ( 0.000 -1.045 -3.370) 3.528 24.919 ( 0.000 -7.163 -6.443) 9.634 26.439 ( 0.000 1.147 2.192) 2.475 26.480 ( 0.000 -0.518 2.742) 2.790 26.499 ( 0.000 0.143 3.956) 3.958 26.572 ( 0.000 -3.518 3.026) 4.640 27.942 ( 0.000 2.676 5.152) 5.806 28.076 ( 0.000 -3.494 5.418) 6.447 28.166 ( 0.000 2.313 7.629) 7.972 28.215 ( 0.000 -0.128 6.299) 6.301 28.322 ( 0.000 6.265 0.358) 6.275 28.438 ( 0.000 9.499 0.920) 9.544 28.476 ( 0.000 -1.718 -1.119) 2.050 28.657 ( 0.000 3.942 3.061) 4.991 28.775 ( 0.000 7.803 -0.682) 7.833 28.934 ( 0.000 -6.006 1.158) 6.117 29.055 ( 0.000 2.797 4.990) 5.720 29.270 ( 0.000 -3.947 -1.178) 4.119 29.630 ( 0.000 2.088 -1.547) 2.598 29.765 ( 0.000 -4.575 5.477) 7.137 29.981 ( 0.000 1.083 1.404) 1.773 30.086 ( 0.000 -3.842 3.339) 5.090 30.263 ( 0.000 5.456 -2.659) 6.070 30.488 ( 0.000 5.245 -10.931) 12.124 30.550 ( 0.000 -6.991 -4.694) 8.420 30.869 ( 0.000 -13.875 -3.522) 14.315 ======================= Grid point 81 (32/72) ======================= q-point: ( 0.25 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 9.770 18.073 10.879) 23.248 2.121 ( 11.958 17.547 21.280) 30.063 2.560 ( -14.674 6.035 3.975) 16.357 2.699 ( -12.447 7.109 10.390) 17.704 2.873 ( -0.066 -5.989 2.258) 6.401 3.017 ( -3.453 -17.822 -4.417) 18.683 3.120 ( 4.174 -23.679 1.715) 24.105 3.274 ( 1.901 -1.583 6.843) 7.276 3.545 ( 3.047 2.468 4.640) 6.075 3.638 ( 2.551 2.746 -0.351) 3.764 3.678 ( -3.529 -2.222 -0.211) 4.175 3.787 ( -3.475 1.002 14.735) 15.173 3.994 ( 9.623 16.587 17.103) 25.695 4.214 ( -3.032 7.985 2.608) 8.930 4.345 ( -1.794 1.182 -1.320) 2.522 4.532 ( -6.664 1.519 5.275) 8.634 4.629 ( 9.941 0.210 0.685) 9.967 4.789 ( 1.911 5.985 4.120) 7.513 4.864 ( -1.033 1.368 -6.081) 6.318 4.914 ( -0.213 9.248 -9.117) 12.988 5.014 ( 0.582 1.692 4.337) 4.692 5.056 ( -0.362 5.909 -0.197) 5.923 5.232 ( -0.992 3.225 2.128) 3.989 5.282 ( 2.210 -4.075 -4.363) 6.367 5.345 ( 0.060 -3.041 1.732) 3.500 5.405 ( -0.651 -7.060 1.046) 7.167 5.517 ( -4.537 -4.940 1.605) 6.896 5.574 ( -3.892 -7.441 -1.207) 8.483 5.852 ( 4.344 5.910 -1.020) 7.406 5.942 ( -1.056 2.826 -3.890) 4.923 5.955 ( 9.002 0.686 -5.457) 10.549 6.094 ( 0.699 3.928 -2.565) 4.743 6.137 ( -0.224 4.416 1.630) 4.713 6.216 ( 2.923 4.940 -1.355) 5.897 6.254 ( -0.831 3.630 -3.530) 5.131 6.363 ( -1.191 2.225 -1.556) 2.965 6.476 ( 0.851 -7.715 -6.134) 9.893 6.530 ( 3.660 0.178 -3.970) 5.403 6.615 ( -4.577 -6.920 -4.866) 9.618 6.687 ( -4.916 -1.224 1.740) 5.356 6.845 ( -2.492 -7.011 3.125) 8.070 7.013 ( 6.499 -7.430 -2.830) 10.269 7.071 ( -8.035 9.589 2.964) 12.856 7.189 ( 3.716 -1.077 0.255) 3.878 7.259 ( -7.315 4.366 -0.865) 8.563 7.281 ( -3.926 -2.047 -0.156) 4.431 7.424 ( -0.689 -0.955 0.507) 1.282 7.471 ( 0.885 -2.226 0.884) 2.553 7.504 ( 4.319 4.193 3.023) 6.736 7.710 ( -1.598 -4.253 2.328) 5.105 7.805 ( 7.027 -4.127 3.993) 9.075 8.019 ( -1.464 -13.224 11.790) 17.777 8.407 ( -0.756 6.039 -2.861) 6.725 8.488 ( 0.705 4.879 -6.609) 8.245 8.618 ( -5.160 2.622 -9.839) 11.415 8.732 ( -0.228 13.567 -2.252) 13.755 8.829 ( -1.404 8.081 -10.976) 13.702 8.912 ( -8.368 0.249 -2.914) 8.864 9.183 ( 3.188 -3.409 1.105) 4.796 9.259 ( 6.171 2.713 2.321) 7.130 9.368 ( -2.919 -1.751 -4.650) 5.763 9.516 ( 9.073 -9.688 -8.677) 15.858 9.522 ( -1.889 -3.389 -1.589) 4.192 9.779 ( -2.991 -14.248 -5.427) 15.537 10.511 ( 0.694 1.445 -2.269) 2.779 10.608 ( 4.281 -2.694 -0.316) 5.068 10.668 ( -3.343 1.759 -4.701) 6.030 10.791 ( -3.550 -2.617 -7.556) 8.749 11.378 ( 0.031 -1.099 -0.407) 1.173 11.610 ( 1.488 -7.290 -5.807) 9.438 11.638 ( -7.653 1.912 3.884) 8.793 11.853 ( -4.427 -2.320 1.148) 5.128 12.118 ( 10.175 0.453 -2.547) 10.499 12.241 ( 4.785 -3.615 -5.915) 8.423 12.425 ( 6.719 6.355 -1.856) 9.432 12.530 ( 11.662 -1.915 2.076) 11.999 12.599 ( -8.671 4.006 -5.865) 11.209 12.761 ( -1.744 -1.116 -5.018) 5.428 12.867 ( -3.342 1.276 -0.276) 3.588 12.910 ( -5.258 0.014 1.685) 5.522 13.596 ( 1.180 0.422 4.372) 4.548 13.727 ( 2.465 0.294 2.420) 3.467 13.886 ( -3.520 -1.879 5.290) 6.626 13.998 ( -2.380 0.220 6.460) 6.888 14.218 ( 2.569 3.618 2.287) 4.992 14.310 ( 0.423 -3.569 1.832) 4.034 14.429 ( -0.967 -1.584 -1.623) 2.465 14.465 ( -0.965 -4.358 0.491) 4.490 14.896 ( 5.473 5.942 1.784) 8.273 15.012 ( 5.194 6.109 -0.335) 8.026 15.144 ( 2.251 2.666 -0.552) 3.532 15.252 ( 1.949 1.067 -0.093) 2.224 15.345 ( -0.511 -1.258 -0.473) 1.438 15.519 ( -4.716 -9.457 -1.064) 10.621 15.523 ( -2.176 0.324 3.897) 4.476 15.723 ( -3.632 -4.177 3.986) 6.821 16.696 ( 4.919 18.446 -11.129) 22.098 16.955 ( -6.247 9.540 -11.447) 16.157 17.213 ( 4.568 -2.567 -4.971) 7.223 17.321 ( -1.537 -11.009 -4.479) 11.984 18.270 ( 1.913 1.038 -2.765) 3.519 18.349 ( 0.718 -0.545 -5.785) 5.855 18.401 ( -0.738 0.114 -4.737) 4.795 18.498 ( -2.296 -2.057 -5.532) 6.333 24.588 ( 4.509 1.408 -2.506) 5.347 24.618 ( 2.279 -0.119 -2.139) 3.128 24.783 ( -1.081 -2.295 -3.272) 4.141 24.882 ( -3.796 -6.987 -6.134) 10.042 26.442 ( 0.367 1.295 2.517) 2.855 26.469 ( -0.872 0.979 3.192) 3.451 26.514 ( 1.303 -1.571 3.337) 3.912 26.563 ( -0.932 -3.334 3.011) 4.588 27.973 ( 3.255 2.467 5.590) 6.924 28.094 ( 1.836 -3.012 5.399) 6.449 28.134 ( -3.327 1.839 7.659) 8.550 28.192 ( -2.239 -0.844 6.079) 6.533 28.332 ( 1.213 6.884 0.592) 7.015 28.414 ( -2.211 9.263 0.958) 9.572 28.506 ( 2.601 -0.857 -0.642) 2.813 28.625 ( -3.218 3.347 1.872) 5.006 28.782 ( 1.873 6.967 -0.360) 7.223 28.957 ( 0.313 -3.120 -0.136) 3.139 29.021 ( -2.365 -0.195 4.729) 5.291 29.163 ( -6.926 -1.778 1.834) 7.382 29.781 ( 11.551 -0.142 -2.155) 11.752 29.825 ( 5.624 -2.154 3.507) 6.969 29.993 ( 0.780 0.416 0.753) 1.161 30.076 ( -1.337 -3.581 3.428) 5.135 30.257 ( -0.049 6.048 -3.089) 6.791 30.424 ( -6.134 5.323 -9.612) 12.583 30.576 ( 2.851 -7.926 -3.654) 9.181 30.798 ( -6.856 -12.630 -2.400) 14.570 ======================= Grid point 82 (33/72) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( -15.112 13.937 6.907) 21.687 2.249 ( 15.112 13.937 6.907) 21.687 2.409 ( -15.798 13.479 18.302) 27.680 2.409 ( 15.798 13.479 18.302) 27.680 2.935 ( -4.814 -14.037 -2.746) 15.092 2.935 ( 4.814 -14.037 -2.746) 15.092 3.221 ( -5.895 -17.286 1.818) 18.354 3.221 ( 5.895 -17.286 1.818) 18.354 3.606 ( -3.215 3.886 1.100) 5.162 3.606 ( 3.215 3.886 1.100) 5.162 3.711 ( -4.460 3.182 9.956) 11.364 3.711 ( 4.460 3.182 9.956) 11.364 4.169 ( -5.578 7.765 11.136) 14.677 4.169 ( 5.578 7.765 11.136) 14.677 4.368 ( -7.281 4.623 2.968) 9.121 4.368 ( 7.281 4.623 2.968) 9.121 4.748 ( -5.652 3.798 1.586) 6.992 4.748 ( 5.652 3.798 1.586) 6.992 4.900 ( -4.574 5.295 -6.118) 9.294 4.900 ( 4.574 5.295 -6.118) 9.294 5.050 ( -1.843 1.947 -0.206) 2.689 5.050 ( 1.843 1.947 -0.206) 2.689 5.266 ( -4.383 2.887 0.278) 5.256 5.266 ( 4.383 2.887 0.278) 5.256 5.377 ( -4.123 -3.816 3.490) 6.614 5.377 ( 4.123 -3.816 3.490) 6.614 5.490 ( -4.313 -8.821 -3.630) 10.468 5.490 ( 4.313 -8.821 -3.630) 10.468 5.903 ( -2.351 3.329 -3.032) 5.080 5.903 ( 2.351 3.329 -3.032) 5.080 6.102 ( -2.226 3.685 -0.062) 4.306 6.102 ( 2.226 3.685 -0.062) 4.306 6.165 ( -6.108 -2.752 -2.784) 7.254 6.165 ( 6.108 -2.752 -2.784) 7.254 6.318 ( -6.223 8.250 -0.973) 10.379 6.318 ( 6.223 8.250 -0.973) 10.379 6.475 ( -4.388 -1.925 -8.130) 9.437 6.475 ( 4.388 -1.925 -8.130) 9.437 6.654 ( -1.874 -9.093 -2.616) 9.645 6.654 ( 1.874 -9.093 -2.616) 9.645 6.893 ( -10.227 7.430 1.615) 12.743 6.893 ( 10.227 7.430 1.615) 12.743 7.103 ( -4.041 -1.179 -0.935) 4.313 7.103 ( 4.041 -1.179 -0.935) 4.313 7.267 ( -2.046 -1.584 1.468) 2.975 7.267 ( 2.046 -1.584 1.468) 2.975 7.420 ( -3.778 -1.457 -1.584) 4.349 7.420 ( 3.778 -1.457 -1.584) 4.349 7.644 ( -6.292 -2.387 4.357) 8.017 7.644 ( 6.292 -2.387 4.357) 8.017 7.934 ( -6.776 -12.970 6.638) 16.069 7.934 ( 6.776 -12.970 6.638) 16.069 8.426 ( -3.303 8.422 -7.452) 11.721 8.426 ( 3.303 8.422 -7.452) 11.721 8.662 ( -6.490 2.576 -2.411) 7.387 8.662 ( 6.490 2.576 -2.411) 7.387 8.820 ( -2.349 11.048 -2.775) 11.631 8.820 ( 2.349 11.048 -2.775) 11.631 9.282 ( -5.768 -3.040 -1.757) 6.753 9.282 ( 5.768 -3.040 -1.757) 6.753 9.405 ( -8.087 -0.411 0.833) 8.141 9.405 ( 8.087 -0.411 0.833) 8.141 9.686 ( -7.197 -12.398 -8.432) 16.631 9.686 ( 7.197 -12.398 -8.432) 16.631 10.571 ( -5.150 2.665 -4.061) 7.079 10.571 ( 5.150 2.665 -4.061) 7.079 10.709 ( -5.140 -2.838 -2.836) 6.521 10.709 ( 5.140 -2.838 -2.836) 6.521 11.450 ( -7.781 2.277 1.505) 8.246 11.450 ( 7.781 2.277 1.505) 8.246 11.726 ( -7.417 -7.657 -2.437) 10.935 11.726 ( 7.417 -7.657 -2.437) 10.935 12.307 ( -7.388 4.939 -2.745) 9.301 12.307 ( 7.388 4.939 -2.745) 9.301 12.461 ( -5.434 -1.229 -9.185) 10.743 12.461 ( 5.434 -1.229 -9.185) 10.743 12.751 ( -10.702 0.207 2.951) 11.104 12.751 ( 10.702 0.207 2.951) 11.104 12.790 ( -5.050 -1.254 -0.642) 5.243 12.790 ( 5.050 -1.254 -0.642) 5.243 13.667 ( -5.759 4.130 4.330) 8.305 13.667 ( 5.759 4.130 4.330) 8.305 13.928 ( -4.953 -4.909 4.188) 8.134 13.928 ( 4.953 -4.909 4.188) 8.134 14.269 ( -3.166 1.963 0.762) 3.802 14.269 ( 3.166 1.963 0.762) 3.802 14.444 ( -1.404 -4.821 0.553) 5.051 14.444 ( 1.404 -4.821 0.553) 5.051 15.001 ( -5.018 9.022 0.446) 10.333 15.001 ( 5.018 9.022 0.446) 10.333 15.259 ( -7.745 -1.315 0.177) 7.858 15.259 ( 7.745 -1.315 0.177) 7.858 15.353 ( -8.763 0.641 1.541) 8.921 15.353 ( 8.763 0.641 1.541) 8.921 15.613 ( -7.456 -7.813 1.915) 10.968 15.613 ( 7.456 -7.813 1.915) 10.968 16.822 ( -8.016 15.325 -13.255) 21.790 16.822 ( 8.016 15.325 -13.255) 21.790 17.280 ( -2.994 -7.863 -4.672) 9.624 17.280 ( 2.994 -7.863 -4.672) 9.624 18.319 ( -3.050 1.964 -1.017) 3.767 18.319 ( 3.050 1.964 -1.017) 3.767 18.438 ( -3.752 -2.751 -7.235) 8.602 18.438 ( 3.752 -2.751 -7.235) 8.602 24.647 ( -0.893 1.486 -3.091) 3.544 24.647 ( 0.893 1.486 -3.091) 3.544 24.800 ( -3.884 -6.025 -4.555) 8.493 24.800 ( 3.884 -6.025 -4.555) 8.493 26.453 ( -0.787 1.496 3.049) 3.486 26.453 ( 0.787 1.496 3.049) 3.486 26.541 ( -1.449 -2.753 3.050) 4.357 26.541 ( 1.449 -2.753 3.050) 4.357 28.051 ( -4.833 2.003 6.459) 8.312 28.051 ( 4.833 2.003 6.459) 8.312 28.142 ( -2.885 -2.181 6.085) 7.079 28.142 ( 2.885 -2.181 6.085) 7.079 28.368 ( -2.517 8.301 0.927) 8.724 28.368 ( 2.517 8.301 0.927) 8.724 28.561 ( -3.370 1.594 0.245) 3.736 28.561 ( 3.370 1.594 0.245) 3.736 28.863 ( -6.521 3.541 -0.448) 7.434 28.863 ( 6.521 3.541 -0.448) 7.434 29.065 ( -4.446 -2.812 3.955) 6.582 29.065 ( 4.446 -2.812 3.955) 6.582 29.911 ( -1.409 0.535 0.553) 1.606 29.911 ( 1.409 0.535 0.553) 1.606 30.020 ( -4.220 -3.049 0.439) 5.225 30.020 ( 4.220 -3.049 0.439) 5.225 30.303 ( -5.549 6.432 -5.373) 10.051 30.303 ( 5.549 6.432 -5.373) 10.051 30.663 ( -6.657 -10.383 -1.963) 12.489 30.663 ( 6.657 -10.383 -1.963) 12.489 ======================= Grid point 85 (34/72) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 0.000 -24.211 -1.607) 24.265 2.394 ( 0.000 24.211 -1.607) 24.265 2.485 ( 0.000 -21.874 8.556) 23.488 2.485 ( 0.000 21.874 8.556) 23.488 2.815 ( 0.000 -0.206 6.062) 6.065 2.815 ( 0.000 0.206 6.062) 6.065 3.193 ( 0.000 -10.094 -0.394) 10.101 3.193 ( 0.000 10.094 -0.394) 10.101 3.497 ( 0.000 -1.504 8.876) 9.002 3.497 ( 0.000 1.504 8.876) 9.002 3.773 ( 0.000 -3.940 6.660) 7.739 3.773 ( 0.000 3.940 6.660) 7.739 4.268 ( 0.000 -11.362 4.625) 12.267 4.268 ( 0.000 11.362 4.625) 12.267 4.504 ( 0.000 -3.059 3.816) 4.890 4.504 ( 0.000 3.059 3.816) 4.890 4.665 ( 0.000 -13.877 -0.374) 13.882 4.665 ( 0.000 13.877 -0.374) 13.882 4.933 ( 0.000 -8.569 0.008) 8.569 4.933 ( 0.000 8.569 0.008) 8.569 5.082 ( 0.000 -5.644 -4.372) 7.139 5.082 ( 0.000 5.644 -4.372) 7.139 5.292 ( 0.000 -5.434 -2.168) 5.851 5.292 ( 0.000 5.434 -2.168) 5.851 5.311 ( 0.000 -5.880 7.474) 9.510 5.311 ( 0.000 5.880 7.474) 9.510 5.481 ( 0.000 -2.085 0.891) 2.267 5.481 ( 0.000 2.085 0.891) 2.267 5.884 ( 0.000 -0.403 -6.172) 6.185 5.884 ( 0.000 0.403 -6.172) 6.185 6.124 ( 0.000 -11.142 1.389) 11.228 6.124 ( 0.000 11.142 1.389) 11.228 6.211 ( 0.000 -6.111 3.760) 7.175 6.211 ( 0.000 6.111 3.760) 7.175 6.360 ( 0.000 -10.050 -7.653) 12.632 6.360 ( 0.000 10.050 -7.653) 12.632 6.408 ( 0.000 -0.488 -3.266) 3.302 6.408 ( 0.000 0.488 -3.266) 3.302 6.585 ( 0.000 -7.130 -0.375) 7.140 6.585 ( 0.000 7.130 -0.375) 7.140 6.828 ( 0.000 -0.339 3.384) 3.401 6.828 ( 0.000 0.339 3.384) 3.401 7.185 ( 0.000 -3.248 2.256) 3.954 7.185 ( 0.000 3.248 2.256) 3.954 7.378 ( 0.000 -0.212 0.845) 0.871 7.378 ( 0.000 0.212 0.845) 0.871 7.440 ( 0.000 -0.363 1.894) 1.928 7.440 ( 0.000 0.363 1.894) 1.928 7.635 ( 0.000 -3.481 11.318) 11.842 7.635 ( 0.000 3.481 11.318) 11.842 7.771 ( 0.000 -6.721 -6.331) 9.233 7.771 ( 0.000 6.721 -6.331) 9.233 8.479 ( 0.000 -0.792 -4.132) 4.207 8.479 ( 0.000 0.792 -4.132) 4.207 8.821 ( 0.000 -3.520 -16.087) 16.468 8.821 ( 0.000 3.520 -16.087) 16.468 8.957 ( 0.000 -8.796 -2.010) 9.023 8.957 ( 0.000 8.796 -2.010) 9.023 9.157 ( 0.000 -11.625 -6.073) 13.116 9.157 ( 0.000 11.625 -6.073) 13.116 9.453 ( 0.000 -11.205 1.131) 11.262 9.453 ( 0.000 11.205 1.131) 11.262 9.471 ( 0.000 -7.334 -1.654) 7.518 9.471 ( 0.000 7.334 -1.654) 7.518 10.510 ( 0.000 -0.264 0.757) 0.801 10.510 ( 0.000 0.264 0.757) 0.801 10.767 ( 0.000 -3.295 -9.201) 9.773 10.767 ( 0.000 3.295 -9.201) 9.773 11.419 ( 0.000 -5.109 -6.473) 8.246 11.419 ( 0.000 5.109 -6.473) 8.246 11.830 ( 0.000 -2.550 5.334) 5.912 11.830 ( 0.000 2.550 5.334) 5.912 12.118 ( 0.000 -8.073 -3.006) 8.614 12.118 ( 0.000 8.073 -3.006) 8.614 12.351 ( 0.000 -1.352 -1.817) 2.265 12.351 ( 0.000 1.352 -1.817) 2.265 12.780 ( 0.000 -1.602 -4.045) 4.351 12.780 ( 0.000 1.602 -4.045) 4.351 12.949 ( 0.000 -2.059 0.357) 2.089 12.949 ( 0.000 2.059 0.357) 2.089 13.600 ( 0.000 -2.197 2.053) 3.007 13.600 ( 0.000 2.197 2.053) 3.007 14.014 ( 0.000 -2.573 6.619) 7.101 14.014 ( 0.000 2.573 6.619) 7.101 14.221 ( 0.000 -1.281 2.150) 2.503 14.221 ( 0.000 1.281 2.150) 2.503 14.452 ( 0.000 -0.744 -1.082) 1.313 14.452 ( 0.000 0.744 -1.082) 1.313 14.918 ( 0.000 -3.671 2.753) 4.589 14.918 ( 0.000 3.671 2.753) 4.589 15.228 ( 0.000 -4.608 -1.437) 4.827 15.228 ( 0.000 4.608 -1.437) 4.827 15.367 ( 0.000 -8.022 -0.360) 8.030 15.367 ( 0.000 8.022 -0.360) 8.030 15.670 ( 0.000 -5.643 4.040) 6.940 15.670 ( 0.000 5.643 4.040) 6.940 16.995 ( 0.000 -12.540 -4.849) 13.445 16.995 ( 0.000 12.540 -4.849) 13.445 17.158 ( 0.000 -2.615 -8.795) 9.176 17.158 ( 0.000 2.615 -8.795) 9.176 18.282 ( 0.000 -2.238 -7.520) 7.846 18.282 ( 0.000 2.238 -7.520) 7.846 18.473 ( 0.000 -2.702 -2.819) 3.905 18.473 ( 0.000 2.702 -2.819) 3.905 24.575 ( 0.000 -1.368 -1.327) 1.906 24.575 ( 0.000 1.368 -1.327) 1.906 24.812 ( 0.000 -2.932 -4.269) 5.179 24.812 ( 0.000 2.932 -4.269) 5.179 26.462 ( 0.000 -1.096 2.633) 2.852 26.462 ( 0.000 1.096 2.633) 2.852 26.518 ( 0.000 -1.739 3.148) 3.596 26.518 ( 0.000 1.739 3.148) 3.596 28.005 ( 0.000 -3.345 5.709) 6.617 28.005 ( 0.000 3.345 5.709) 6.617 28.203 ( 0.000 -1.169 7.828) 7.915 28.203 ( 0.000 1.169 7.828) 7.915 28.421 ( 0.000 -3.626 -0.356) 3.644 28.421 ( 0.000 3.626 -0.356) 3.644 28.628 ( 0.000 -7.221 0.678) 7.252 28.628 ( 0.000 7.221 0.678) 7.252 28.857 ( 0.000 -1.570 1.779) 2.373 28.857 ( 0.000 1.570 1.779) 2.373 29.156 ( 0.000 -6.388 1.238) 6.507 29.156 ( 0.000 6.388 1.238) 6.507 29.685 ( 0.000 -3.222 2.166) 3.882 29.685 ( 0.000 3.222 2.166) 3.882 30.017 ( 0.000 -2.591 1.861) 3.190 30.017 ( 0.000 2.591 1.861) 3.190 30.398 ( 0.000 -7.350 -4.462) 8.598 30.398 ( 0.000 7.350 -4.462) 8.598 30.632 ( 0.000 -9.135 -7.665) 11.924 30.632 ( 0.000 9.135 -7.665) 11.924 ======================= Grid point 87 (35/72) ======================= q-point: ( 0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 4.729 -21.346 1.410) 21.909 2.434 ( 4.729 21.346 1.410) 21.909 2.577 ( 8.937 -23.941 5.464) 26.132 2.577 ( 8.937 23.941 5.464) 26.132 2.737 ( -7.427 -9.221 5.663) 13.125 2.737 ( -7.427 9.221 5.663) 13.125 3.054 ( -12.266 -15.826 1.841) 20.107 3.054 ( -12.266 15.826 1.841) 20.107 3.590 ( 7.184 -4.324 7.989) 11.582 3.590 ( 7.184 4.324 7.989) 11.582 3.762 ( -1.510 -3.604 7.284) 8.266 3.762 ( -1.510 3.604 7.284) 8.266 4.286 ( 2.008 -8.134 4.020) 9.293 4.286 ( 2.008 8.134 4.020) 9.293 4.432 ( -5.584 -9.795 4.447) 12.120 4.432 ( -5.584 9.795 4.447) 12.120 4.734 ( 6.143 -8.732 -2.900) 11.063 4.734 ( 6.143 8.732 -2.900) 11.063 4.978 ( 0.987 -6.988 -0.550) 7.078 4.978 ( 0.987 6.988 -0.550) 7.078 5.083 ( 1.515 -4.400 -0.312) 4.664 5.083 ( 1.515 4.400 -0.312) 4.664 5.277 ( -1.358 -4.636 2.380) 5.386 5.277 ( -1.358 4.636 2.380) 5.386 5.296 ( 0.057 -2.332 -0.640) 2.419 5.296 ( 0.057 2.332 -0.640) 2.419 5.451 ( -3.347 -2.200 2.983) 4.994 5.451 ( -3.347 2.201 2.983) 4.994 5.919 ( 3.756 -2.611 -5.620) 7.246 5.919 ( 3.756 2.611 -5.620) 7.246 6.113 ( -2.606 -9.471 0.438) 9.833 6.113 ( -2.606 9.471 0.438) 9.833 6.229 ( 2.061 -8.470 2.275) 9.009 6.229 ( 2.061 8.470 2.275) 9.009 6.326 ( -2.802 -11.238 -2.382) 11.824 6.326 ( -2.802 11.238 -2.382) 11.824 6.416 ( 2.583 -5.223 -4.421) 7.314 6.416 ( 2.583 5.223 -4.421) 7.314 6.628 ( -1.625 -8.647 -2.550) 9.160 6.628 ( -1.625 8.647 -2.550) 9.160 6.846 ( 7.037 -7.035 1.057) 10.006 6.846 ( 7.037 7.035 1.057) 10.006 7.187 ( 0.111 -1.012 0.953) 1.394 7.187 ( 0.111 1.012 0.953) 1.394 7.306 ( -7.906 -6.066 4.619) 10.984 7.306 ( -7.906 6.066 4.619) 10.984 7.402 ( -2.954 -4.021 -1.527) 5.217 7.402 ( -2.954 4.021 -1.527) 5.217 7.683 ( 1.592 -10.948 7.796) 13.534 7.683 ( 1.592 10.948 7.796) 13.534 7.733 ( -1.494 -3.088 -2.440) 4.210 7.733 ( -1.494 3.088 -2.440) 4.210 8.499 ( 2.399 -3.054 -4.729) 6.119 8.499 ( 2.399 3.054 -4.729) 6.119 8.715 ( -8.350 -7.165 -11.800) 16.134 8.715 ( -8.350 7.165 -11.800) 16.134 9.020 ( 5.550 -9.808 -1.322) 11.347 9.020 ( 5.550 9.808 -1.322) 11.347 9.190 ( 0.562 -13.659 -5.041) 14.571 9.190 ( 0.562 13.659 -5.041) 14.571 9.396 ( -0.093 -6.765 -1.370) 6.903 9.396 ( -0.093 6.765 -1.370) 6.903 9.520 ( 0.051 -5.839 -1.183) 5.958 9.520 ( 0.051 5.839 -1.183) 5.958 10.547 ( 3.965 -2.611 -0.376) 4.762 10.547 ( 3.965 2.611 -0.376) 4.762 10.731 ( -3.763 -3.341 -7.279) 8.849 10.731 ( -3.763 3.341 -7.279) 8.849 11.440 ( 3.218 -6.516 -4.455) 8.525 11.440 ( 3.218 6.516 -4.455) 8.525 11.756 ( -9.909 -6.416 2.641) 12.097 11.756 ( -9.909 6.416 2.641) 12.097 12.155 ( 9.905 -3.279 -5.776) 11.925 12.155 ( 9.905 3.279 -5.776) 11.925 12.508 ( 9.775 -2.112 -0.149) 10.002 12.508 ( 9.775 2.112 -0.149) 10.002 12.691 ( -7.516 -5.030 -4.628) 10.159 12.691 ( -7.516 5.030 -4.628) 10.159 12.900 ( -5.183 -1.513 1.184) 5.528 12.900 ( -5.183 1.513 1.184) 5.528 13.657 ( 5.743 -5.003 2.423) 7.992 13.657 ( 5.743 5.003 2.423) 7.992 13.937 ( -7.032 -4.854 4.352) 9.589 13.937 ( -7.032 4.854 4.352) 9.589 14.275 ( 4.268 -1.578 2.717) 5.300 14.275 ( 4.268 1.578 2.717) 5.300 14.411 ( -3.463 -0.508 -0.317) 3.515 14.411 ( -3.463 0.508 -0.317) 3.515 15.005 ( 8.074 -4.297 2.492) 9.480 15.005 ( 8.074 4.297 2.492) 9.480 15.272 ( 1.601 -5.412 -0.580) 5.674 15.272 ( 1.601 5.412 -0.580) 5.674 15.323 ( -1.215 -2.972 0.144) 3.214 15.323 ( -1.215 2.972 0.144) 3.214 15.612 ( -6.376 -6.198 3.533) 9.568 15.612 ( -6.376 6.198 3.533) 9.568 17.016 ( 2.642 -10.342 -6.590) 12.545 17.016 ( 2.642 10.342 -6.590) 12.545 17.150 ( -1.637 -1.511 -8.944) 9.218 17.150 ( -1.637 1.511 -8.944) 9.218 18.306 ( 2.693 -2.437 -6.030) 7.039 18.306 ( 2.693 2.437 -6.030) 7.039 18.446 ( -2.923 -2.893 -3.022) 5.103 18.446 ( -2.923 2.893 -3.022) 5.103 24.613 ( 3.821 -0.716 -1.913) 4.333 24.613 ( 3.821 0.716 -1.913) 4.333 24.780 ( -3.344 -2.510 -3.977) 5.770 24.780 ( -3.344 2.510 -3.977) 5.770 26.471 ( 0.841 -1.316 2.741) 3.154 26.471 ( 0.841 1.316 2.741) 3.154 26.510 ( -0.845 -1.736 3.100) 3.652 26.510 ( -0.845 1.736 3.100) 3.652 28.031 ( 2.706 -3.040 6.014) 7.262 28.031 ( 2.706 3.040 6.014) 7.262 28.169 ( -3.322 -1.447 7.391) 8.231 28.169 ( -3.322 1.447 7.391) 8.231 28.446 ( 2.651 -4.240 0.013) 5.001 28.446 ( 2.651 4.240 0.013) 5.001 28.591 ( -3.683 -6.369 0.574) 7.380 28.591 ( -3.683 6.369 0.574) 7.380 28.888 ( 3.301 -4.008 1.791) 5.492 28.888 ( 3.301 4.008 1.791) 5.492 29.082 ( -6.279 -5.209 1.611) 8.316 29.082 ( -6.279 5.209 1.611) 8.316 29.794 ( 9.475 -1.163 1.047) 9.603 29.794 ( 9.475 1.163 1.047) 9.603 30.015 ( -0.851 -2.002 1.326) 2.547 30.015 ( -0.851 2.002 1.326) 2.547 30.404 ( 1.058 -7.883 -4.357) 9.069 30.404 ( 1.058 7.883 -4.357) 9.069 30.574 ( -5.732 -8.892 -6.399) 12.364 30.574 ( -5.732 8.892 -6.399) 12.364 ======================= Grid point 89 (36/72) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( -8.262 -15.250 3.551) 17.704 2.564 ( 7.283 -15.125 3.551) 17.159 2.564 ( -7.283 15.125 3.551) 17.159 2.564 ( 8.262 15.250 3.551) 17.704 2.806 ( -13.476 -19.034 4.016) 23.665 2.806 ( 13.241 -18.992 4.016) 23.498 2.806 ( -13.241 18.992 4.016) 23.498 2.806 ( 13.476 19.034 4.016) 23.665 3.706 ( -4.789 -3.504 8.002) 9.962 3.706 ( 3.745 -3.171 8.002) 9.386 3.706 ( -3.745 3.171 8.002) 9.386 3.706 ( 4.789 3.504 8.002) 9.962 4.341 ( -3.915 -6.735 3.743) 8.643 4.341 ( 3.737 -6.709 3.743) 8.544 4.341 ( -3.737 6.709 3.743) 8.544 4.341 ( 3.915 6.735 3.743) 8.643 4.874 ( -8.486 -6.493 -2.460) 10.965 4.874 ( 7.495 -6.181 -2.460) 10.022 4.874 ( -7.495 6.181 -2.460) 10.022 4.874 ( 8.486 6.493 -2.460) 10.965 5.193 ( -5.555 -10.281 1.391) 11.768 5.193 ( 2.751 -9.994 1.391) 10.458 5.193 ( -2.751 9.994 1.391) 10.458 5.193 ( 5.555 10.281 1.391) 11.768 5.365 ( -3.711 -4.190 1.549) 5.807 5.365 ( -1.510 -3.832 1.549) 4.400 5.365 ( 1.510 3.832 1.549) 4.400 5.365 ( 3.711 4.190 1.549) 5.807 6.018 ( -6.465 -7.343 -2.719) 10.155 6.018 ( 6.456 -7.341 -2.719) 10.147 6.018 ( -6.456 7.341 -2.719) 10.147 6.018 ( 6.465 7.343 -2.719) 10.155 6.276 ( -2.703 -10.114 0.250) 10.472 6.276 ( 2.684 -10.113 0.250) 10.466 6.276 ( -2.684 10.113 0.250) 10.466 6.276 ( 2.703 10.114 0.250) 10.472 6.516 ( -6.136 -6.830 -2.757) 9.586 6.516 ( 0.897 -6.118 -2.757) 6.770 6.516 ( -0.897 6.118 -2.757) 6.770 6.516 ( 6.136 6.830 -2.757) 9.586 7.067 ( -12.991 -5.754 -1.939) 14.340 7.067 ( -12.640 5.555 -1.939) 13.943 7.067 ( 12.640 -5.555 -1.939) 13.943 7.067 ( 12.991 5.754 -1.939) 14.340 7.288 ( -4.868 -6.370 1.614) 8.178 7.288 ( 0.708 -5.897 1.614) 6.155 7.288 ( -0.708 5.897 1.614) 6.155 7.288 ( 4.868 6.370 1.614) 8.178 7.713 ( -1.935 -7.763 3.474) 8.722 7.713 ( 1.877 -7.759 3.474) 8.706 7.713 ( -1.877 7.759 3.474) 8.706 7.713 ( 1.935 7.763 3.474) 8.722 8.577 ( -5.891 -6.518 -6.752) 11.080 8.577 ( 4.587 -6.250 -6.752) 10.281 8.577 ( -4.587 6.250 -6.752) 10.281 8.577 ( 5.891 6.518 -6.752) 11.080 9.131 ( -5.079 -12.989 -1.991) 14.088 9.131 ( 4.265 -12.915 -1.991) 13.746 9.131 ( -4.265 12.915 -1.991) 13.746 9.131 ( 5.079 12.989 -1.991) 14.088 9.463 ( -4.303 -6.844 -2.310) 8.408 9.463 ( 2.137 -6.585 -2.310) 7.298 9.463 ( -2.137 6.585 -2.310) 7.298 9.463 ( 4.303 6.844 -2.310) 8.408 10.641 ( -5.579 -3.678 -3.486) 7.537 10.641 ( 4.246 -3.202 -3.486) 6.359 10.641 ( -4.246 3.202 -3.486) 6.359 10.641 ( 5.579 3.678 -3.486) 7.537 11.558 ( -9.499 -7.571 -1.406) 12.229 11.558 ( 9.020 -7.424 -1.406) 11.767 11.558 ( -9.020 7.424 -1.406) 11.767 11.558 ( 9.499 7.571 -1.406) 12.229 12.406 ( -13.711 -3.230 -6.359) 15.455 12.406 ( -12.094 0.038 -6.359) 13.664 12.406 ( 12.094 -0.038 -6.359) 13.664 12.406 ( 13.711 3.230 -6.359) 15.455 12.763 ( -9.265 -1.050 1.529) 9.449 12.763 ( -9.141 0.729 1.529) 9.297 12.763 ( 9.141 -0.729 1.529) 9.297 12.763 ( 9.265 1.050 1.529) 9.449 13.791 ( -7.736 -7.141 2.857) 10.909 13.791 ( 4.087 -6.341 2.857) 8.067 13.791 ( -4.087 6.341 2.857) 8.067 13.791 ( 7.736 7.141 2.857) 10.909 14.347 ( -1.898 -4.430 1.364) 5.009 14.347 ( -0.473 -4.334 1.364) 4.568 14.347 ( 0.473 4.334 1.364) 4.568 14.347 ( 1.898 4.430 1.364) 5.009 15.164 ( -8.137 -6.603 1.421) 10.575 15.164 ( 5.040 -5.779 1.421) 7.798 15.164 ( -5.040 5.779 1.421) 7.798 15.164 ( 8.137 6.603 1.421) 10.575 15.453 ( -9.316 -7.243 1.675) 11.918 15.453 ( 3.194 -5.772 1.675) 6.806 15.453 ( -3.194 5.772 1.675) 6.806 15.453 ( 9.316 7.243 1.675) 11.918 17.089 ( -3.329 -10.830 -8.649) 14.254 17.089 ( 2.170 -10.756 -8.649) 13.972 17.089 ( -2.170 10.756 -8.649) 13.972 17.089 ( 3.329 10.830 -8.649) 14.254 18.375 ( -4.207 -3.108 -3.905) 6.528 18.375 ( 1.916 -2.481 -3.905) 5.007 18.375 ( -1.916 2.481 -3.905) 5.007 18.375 ( 4.207 3.108 -3.905) 6.528 24.699 ( -3.747 -3.291 -3.091) 5.867 24.699 ( -1.668 -2.831 -3.091) 4.511 24.699 ( 1.668 2.831 -3.091) 4.511 24.699 ( 3.747 3.291 -3.091) 5.867 26.490 ( -1.009 -2.125 2.951) 3.774 26.490 ( 0.703 -2.094 2.951) 3.686 26.490 ( -0.703 2.094 2.951) 3.686 26.490 ( 1.009 2.125 2.951) 3.774 28.097 ( -4.142 -2.279 6.694) 8.195 28.097 ( 1.848 -1.325 6.694) 7.070 28.097 ( -1.848 1.325 6.694) 7.070 28.097 ( 4.142 2.279 6.694) 8.195 28.513 ( -4.312 -5.356 0.368) 6.886 28.513 ( 4.118 -5.318 0.368) 6.736 28.513 ( -4.118 5.318 0.368) 6.736 28.513 ( 4.312 5.356 0.368) 6.886 28.971 ( -5.251 -5.777 1.794) 8.010 28.971 ( 4.049 -5.530 1.794) 7.084 28.971 ( -4.049 5.530 1.794) 7.084 28.971 ( 5.251 5.777 1.794) 8.010 29.953 ( -5.281 -2.553 0.257) 5.872 29.953 ( -3.815 -1.785 0.257) 4.220 29.953 ( 3.815 1.785 0.257) 4.220 29.953 ( 5.281 2.553 0.257) 5.872 30.461 ( -5.235 -8.958 -4.492) 11.306 30.461 ( 4.938 -8.915 -4.492) 11.137 30.461 ( -4.938 8.915 -4.492) 11.137 30.461 ( 5.235 8.958 -4.492) 11.306 ======================= Grid point 105 (37/72) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( 0.000 0.000 33.914) 33.914 2.538 ( 0.000 0.000 22.846) 22.846 2.672 ( 0.000 0.000 -19.772) 19.772 2.897 ( 0.000 0.000 1.639) 1.639 2.959 ( 0.000 0.000 10.305) 10.305 3.017 ( 0.000 0.000 1.823) 1.823 3.198 ( 0.000 0.000 -14.869) 14.869 3.266 ( 0.000 0.000 13.952) 13.952 3.402 ( 0.000 0.000 -2.115) 2.115 3.703 ( 0.000 0.000 24.315) 24.315 3.811 ( 0.000 0.000 5.049) 5.049 3.936 ( 0.000 0.000 -9.869) 9.869 4.031 ( 0.000 0.000 -8.042) 8.042 4.245 ( 0.000 0.000 -5.645) 5.645 4.290 ( 0.000 0.000 -6.618) 6.618 4.409 ( 0.000 0.000 20.428) 20.428 4.438 ( 0.000 0.000 4.308) 4.308 4.769 ( 0.000 0.000 13.766) 13.766 4.822 ( 0.000 0.000 6.428) 6.428 4.903 ( 0.000 0.000 1.718) 1.718 4.955 ( 0.000 0.000 0.217) 0.217 5.087 ( 0.000 0.000 -5.338) 5.338 5.112 ( 0.000 0.000 -13.735) 13.735 5.114 ( 0.000 0.000 -3.892) 3.892 5.235 ( 0.000 0.000 0.824) 0.824 5.511 ( 0.000 0.000 -3.193) 3.193 5.513 ( 0.000 0.000 -14.135) 14.135 5.607 ( 0.000 0.000 5.826) 5.826 5.636 ( 0.000 0.000 -3.066) 3.066 5.784 ( 0.000 0.000 -7.236) 7.236 5.912 ( 0.000 0.000 -3.761) 3.761 5.984 ( 0.000 0.000 -4.256) 4.256 5.999 ( 0.000 0.000 -1.082) 1.082 6.160 ( 0.000 0.000 -0.971) 0.971 6.161 ( 0.000 0.000 -0.266) 0.266 6.248 ( 0.000 0.000 -5.428) 5.428 6.280 ( 0.000 0.000 -11.752) 11.752 6.395 ( 0.000 0.000 -2.669) 2.669 6.494 ( 0.000 0.000 3.394) 3.394 6.955 ( 0.000 0.000 -1.349) 1.349 7.055 ( 0.000 0.000 -3.293) 3.293 7.148 ( 0.000 0.000 3.679) 3.679 7.160 ( 0.000 0.000 1.452) 1.452 7.162 ( 0.000 0.000 3.536) 3.536 7.230 ( 0.000 0.000 -0.679) 0.679 7.311 ( 0.000 0.000 -1.360) 1.360 7.404 ( 0.000 0.000 7.297) 7.297 7.425 ( 0.000 0.000 10.878) 10.878 7.812 ( 0.000 0.000 4.068) 4.068 7.924 ( 0.000 0.000 -5.685) 5.685 8.001 ( 0.000 0.000 9.546) 9.546 8.101 ( 0.000 0.000 2.456) 2.456 8.140 ( 0.000 0.000 4.196) 4.196 8.372 ( 0.000 0.000 -0.204) 0.204 8.410 ( 0.000 0.000 2.898) 2.898 8.474 ( 0.000 0.000 -7.051) 7.051 8.521 ( 0.000 0.000 4.184) 4.184 9.059 ( 0.000 0.000 -7.773) 7.773 9.162 ( 0.000 0.000 4.507) 4.507 9.202 ( 0.000 0.000 -14.086) 14.086 9.275 ( 0.000 0.000 -2.365) 2.365 9.410 ( 0.000 0.000 0.965) 0.965 9.704 ( 0.000 0.000 -10.453) 10.453 9.857 ( 0.000 0.000 -19.062) 19.062 10.349 ( 0.000 0.000 -2.368) 2.368 10.660 ( 0.000 0.000 -8.545) 8.545 10.715 ( 0.000 0.000 -0.933) 0.933 10.807 ( 0.000 0.000 -1.222) 1.222 11.747 ( 0.000 0.000 -6.729) 6.729 11.786 ( 0.000 0.000 -2.578) 2.578 11.947 ( 0.000 0.000 0.502) 0.502 11.966 ( 0.000 0.000 0.994) 0.994 11.967 ( 0.000 0.000 7.750) 7.750 12.048 ( 0.000 0.000 -3.552) 3.552 12.094 ( 0.000 0.000 -3.487) 3.487 12.273 ( 0.000 0.000 3.770) 3.770 12.357 ( 0.000 0.000 0.052) 0.052 12.748 ( 0.000 0.000 -7.555) 7.555 12.998 ( 0.000 0.000 -0.547) 0.547 13.018 ( 0.000 0.000 -1.001) 1.001 13.650 ( 0.000 0.000 -2.092) 2.092 13.711 ( 0.000 0.000 -3.024) 3.024 14.062 ( 0.000 0.000 10.195) 10.195 14.160 ( 0.000 0.000 3.957) 3.957 14.209 ( 0.000 0.000 7.554) 7.554 14.403 ( 0.000 0.000 -4.593) 4.593 14.571 ( 0.000 0.000 5.452) 5.452 14.665 ( 0.000 0.000 3.702) 3.702 14.698 ( 0.000 0.000 4.233) 4.233 14.808 ( 0.000 0.000 10.285) 10.285 15.099 ( 0.000 0.000 0.477) 0.477 15.333 ( 0.000 0.000 2.053) 2.053 15.374 ( 0.000 0.000 3.793) 3.793 15.452 ( 0.000 0.000 3.322) 3.322 15.646 ( 0.000 0.000 -9.173) 9.173 15.672 ( 0.000 0.000 -6.939) 6.939 16.084 ( 0.000 0.000 -11.149) 11.149 16.298 ( 0.000 0.000 -13.369) 13.369 17.209 ( 0.000 0.000 4.655) 4.655 17.649 ( 0.000 0.000 -2.268) 2.268 18.128 ( 0.000 0.000 -8.465) 8.465 18.146 ( 0.000 0.000 -2.347) 2.347 18.398 ( 0.000 0.000 -3.067) 3.067 18.407 ( 0.000 0.000 -7.297) 7.297 24.474 ( 0.000 0.000 0.130) 0.130 24.579 ( 0.000 0.000 -1.675) 1.675 24.777 ( 0.000 0.000 -3.756) 3.756 24.920 ( 0.000 0.000 -10.554) 10.554 26.458 ( 0.000 0.000 2.265) 2.265 26.522 ( 0.000 0.000 1.580) 1.580 26.590 ( 0.000 0.000 2.528) 2.528 26.736 ( 0.000 0.000 0.035) 0.035 27.985 ( 0.000 0.000 6.225) 6.225 28.164 ( 0.000 0.000 4.752) 4.752 28.202 ( 0.000 0.000 7.384) 7.384 28.231 ( 0.000 0.000 1.627) 1.627 28.272 ( 0.000 0.000 2.950) 2.950 28.389 ( 0.000 0.000 4.020) 4.020 28.400 ( 0.000 0.000 3.066) 3.066 28.504 ( 0.000 0.000 2.480) 2.480 28.511 ( 0.000 0.000 -1.787) 1.787 29.116 ( 0.000 0.000 -11.347) 11.347 29.177 ( 0.000 0.000 6.201) 6.201 29.227 ( 0.000 0.000 5.228) 5.228 29.488 ( 0.000 0.000 -4.920) 4.920 29.945 ( 0.000 0.000 0.765) 0.765 29.984 ( 0.000 0.000 0.652) 0.652 30.054 ( 0.000 0.000 -16.881) 16.881 30.266 ( 0.000 0.000 5.685) 5.685 30.406 ( 0.000 0.000 12.801) 12.801 30.646 ( 0.000 0.000 -3.102) 3.102 31.223 ( 0.000 0.000 -7.296) 7.296 ======================= Grid point 106 (38/72) ======================= q-point: ( 0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 1.126 0.000 31.663) 31.683 2.561 ( 2.519 0.000 16.827) 17.015 2.666 ( -19.532 0.000 14.584) 24.376 2.667 ( -0.881 0.000 -14.886) 14.912 2.872 ( -2.226 0.000 1.620) 2.753 2.919 ( -6.593 0.000 1.572) 6.778 3.295 ( 6.768 0.000 -12.394) 14.122 3.402 ( -0.028 0.000 -3.350) 3.350 3.543 ( 19.089 0.000 19.625) 27.378 3.799 ( -0.983 0.000 2.640) 2.817 3.869 ( -4.920 0.000 -7.057) 8.603 3.916 ( 19.928 0.000 10.311) 22.438 4.058 ( 2.612 0.000 -6.016) 6.558 4.156 ( -9.186 0.000 8.184) 12.303 4.225 ( -4.565 0.000 -3.357) 5.667 4.415 ( 1.399 0.000 13.068) 13.143 4.605 ( 12.374 0.000 -0.483) 12.383 4.650 ( -9.446 0.000 10.857) 14.391 4.806 ( -13.331 0.000 4.995) 14.236 4.838 ( 0.094 0.000 2.330) 2.332 4.973 ( 3.357 0.000 0.724) 3.435 5.089 ( 0.169 0.000 -2.976) 2.980 5.101 ( 4.642 0.000 -9.946) 10.976 5.247 ( 1.579 0.000 1.572) 2.228 5.255 ( 5.132 0.000 -0.059) 5.132 5.457 ( 0.780 0.000 -14.495) 14.516 5.495 ( -8.728 0.000 3.080) 9.255 5.573 ( 3.591 0.000 -12.564) 13.067 5.731 ( 6.654 0.000 -0.432) 6.668 5.763 ( -1.867 0.000 -7.285) 7.521 5.901 ( -1.116 0.000 -3.529) 3.701 5.903 ( -6.039 0.000 0.363) 6.049 6.045 ( 1.009 0.000 -8.640) 8.699 6.114 ( -4.360 0.000 -0.154) 4.363 6.118 ( -3.871 0.000 -1.195) 4.051 6.172 ( -7.810 0.000 -1.365) 7.929 6.276 ( 0.253 0.000 -6.877) 6.882 6.332 ( 0.474 0.000 -5.989) 6.007 6.651 ( 8.762 0.000 0.602) 8.783 6.974 ( -4.784 0.000 0.930) 4.873 7.017 ( 3.069 0.000 0.473) 3.105 7.132 ( 1.052 0.000 3.968) 4.105 7.146 ( -0.276 0.000 3.468) 3.479 7.151 ( -0.682 0.000 3.093) 3.167 7.256 ( 2.469 0.000 -1.592) 2.938 7.314 ( -0.006 0.000 -2.021) 2.021 7.334 ( -7.864 0.000 6.637) 10.290 7.374 ( -5.464 0.000 4.215) 6.901 7.927 ( 10.610 0.000 2.012) 10.799 7.974 ( 4.063 0.000 1.415) 4.302 8.024 ( 2.197 0.000 8.718) 8.991 8.093 ( -0.886 0.000 3.475) 3.587 8.164 ( 3.310 0.000 3.874) 5.095 8.365 ( -0.565 0.000 0.066) 0.569 8.385 ( -1.790 0.000 3.235) 3.697 8.507 ( -0.793 0.000 -7.903) 7.942 8.581 ( 5.718 0.000 2.246) 6.143 8.894 ( -10.735 0.000 -5.309) 11.976 9.201 ( -2.455 0.000 -0.789) 2.578 9.251 ( 7.895 0.000 1.040) 7.964 9.387 ( -3.143 0.000 -1.253) 3.384 9.393 ( 13.298 0.000 -15.910) 20.735 9.636 ( -7.699 0.000 -7.582) 10.806 9.796 ( -6.514 0.000 -19.024) 20.108 10.354 ( 1.628 0.000 -1.890) 2.494 10.578 ( -7.562 0.000 -7.446) 10.613 10.728 ( 2.563 0.000 0.517) 2.615 10.822 ( -0.621 0.000 -2.218) 2.303 11.617 ( -3.323 0.000 -0.003) 3.323 11.844 ( -9.413 0.000 9.774) 13.569 11.881 ( -3.249 0.000 2.552) 4.131 11.914 ( -4.658 0.000 -0.100) 4.659 11.994 ( 11.367 0.000 -9.564) 14.856 12.104 ( 4.913 0.000 -2.465) 5.497 12.157 ( 3.144 0.000 -5.662) 6.476 12.294 ( 0.471 0.000 1.198) 1.288 12.510 ( 12.409 0.000 -0.253) 12.412 12.690 ( -4.020 0.000 -6.715) 7.826 12.962 ( -2.524 0.000 0.270) 2.538 13.029 ( -1.513 0.000 -0.938) 1.780 13.653 ( 0.397 0.000 -1.583) 1.632 13.696 ( -1.464 0.000 -2.255) 2.688 14.076 ( 1.527 0.000 9.429) 9.552 14.175 ( -3.109 0.000 7.544) 8.160 14.176 ( 3.353 0.000 2.469) 4.164 14.382 ( -3.186 0.000 -4.230) 5.295 14.614 ( 3.908 0.000 3.878) 5.506 14.705 ( 3.472 0.000 4.601) 5.764 14.718 ( 0.596 0.000 3.191) 3.247 14.800 ( -1.073 0.000 9.265) 9.327 15.127 ( 4.816 0.000 0.962) 4.912 15.388 ( 1.382 0.000 3.751) 3.997 15.440 ( 6.767 0.000 1.234) 6.878 15.443 ( -0.965 0.000 3.366) 3.502 15.555 ( -5.250 0.000 -8.401) 9.906 15.741 ( 7.450 0.000 -7.225) 10.378 15.990 ( -9.910 0.000 -12.257) 15.762 16.174 ( -11.797 0.000 -11.070) 16.178 17.304 ( 8.725 0.000 2.349) 9.035 17.602 ( -4.981 0.000 -1.835) 5.308 18.176 ( 3.110 0.000 -2.730) 4.138 18.193 ( 6.218 0.000 -8.035) 10.160 18.338 ( -4.341 0.000 -4.531) 6.274 18.406 ( -2.161 0.000 -5.614) 6.016 24.515 ( 3.787 0.000 -1.040) 3.927 24.585 ( 0.396 0.000 -1.728) 1.773 24.779 ( 0.597 0.000 -4.671) 4.709 24.887 ( -3.407 0.000 -9.911) 10.481 26.461 ( 0.419 0.000 2.358) 2.395 26.501 ( -1.640 0.000 2.191) 2.737 26.623 ( 2.774 0.000 1.679) 3.243 26.719 ( -1.743 0.000 0.222) 1.757 28.028 ( 4.510 0.000 6.055) 7.550 28.164 ( 0.054 0.000 5.005) 5.006 28.190 ( -1.123 0.000 6.780) 6.872 28.217 ( -2.259 0.000 2.598) 3.443 28.284 ( 1.186 0.000 3.040) 3.263 28.352 ( -2.514 0.000 3.334) 4.176 28.384 ( -0.754 0.000 3.207) 3.294 28.469 ( -3.381 0.000 2.605) 4.269 28.600 ( 8.004 0.000 -1.568) 8.156 28.982 ( -11.066 0.000 -7.133) 13.166 29.190 ( 1.342 0.000 6.140) 6.285 29.228 ( -0.071 0.000 5.150) 5.150 29.628 ( 11.564 0.000 -9.284) 14.829 29.955 ( 1.106 0.000 0.464) 1.199 29.990 ( 0.260 0.000 0.058) 0.267 29.996 ( -6.106 0.000 -16.000) 17.125 30.261 ( -0.244 0.000 6.039) 6.043 30.337 ( -4.961 0.000 8.850) 10.146 30.760 ( 9.959 0.000 0.160) 9.960 31.145 ( -7.981 0.000 -4.654) 9.239 ======================= Grid point 107 (39/72) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( -10.788 0.000 23.995) 26.308 2.377 ( 10.788 0.000 23.995) 26.308 2.624 ( -3.692 0.000 1.604) 4.026 2.624 ( 3.692 0.000 1.604) 4.026 2.848 ( -0.694 0.000 0.934) 1.163 2.848 ( 0.694 0.000 0.934) 1.163 3.385 ( -2.573 0.000 -7.805) 8.218 3.385 ( 2.573 0.000 -7.805) 8.218 3.801 ( -1.913 0.000 -2.808) 3.398 3.801 ( 1.913 0.000 -2.808) 3.398 3.882 ( -16.960 0.000 14.795) 22.506 3.882 ( 16.960 0.000 14.795) 22.506 4.133 ( -5.164 0.000 -2.850) 5.898 4.133 ( 5.164 0.000 -2.850) 5.898 4.344 ( -18.730 0.000 6.822) 19.934 4.344 ( 18.730 0.000 6.822) 19.934 4.552 ( -6.834 0.000 11.551) 13.421 4.552 ( 6.834 0.000 11.551) 13.421 4.781 ( -6.221 0.000 -1.655) 6.437 4.781 ( 6.221 0.000 -1.655) 6.437 5.069 ( -3.864 0.000 -1.046) 4.003 5.069 ( 3.864 0.000 -1.046) 4.003 5.216 ( -6.243 0.000 -2.792) 6.839 5.216 ( 6.243 0.000 -2.792) 6.839 5.323 ( -7.889 0.000 3.809) 8.760 5.323 ( 7.889 0.000 3.809) 8.760 5.570 ( -6.302 0.000 -22.783) 23.639 5.570 ( 6.302 0.000 -22.783) 23.639 5.781 ( -5.677 0.000 2.460) 6.187 5.781 ( 5.677 0.000 2.460) 6.187 5.851 ( -5.246 0.000 -1.809) 5.549 5.851 ( 5.246 0.000 -1.809) 5.549 6.063 ( -0.546 0.000 -0.967) 1.110 6.063 ( 0.546 0.000 -0.967) 1.110 6.067 ( -3.152 0.000 -6.365) 7.103 6.067 ( 3.152 0.000 -6.365) 7.103 6.310 ( -2.783 0.000 -3.576) 4.532 6.310 ( 2.783 0.000 -3.576) 4.532 6.814 ( -9.626 0.000 -2.481) 9.941 6.814 ( 9.626 0.000 -2.481) 9.941 7.143 ( -0.123 0.000 3.715) 3.717 7.143 ( 0.123 0.000 3.715) 3.717 7.152 ( -8.125 0.000 12.371) 14.801 7.152 ( 8.125 0.000 12.371) 14.801 7.244 ( -6.771 0.000 -2.761) 7.312 7.244 ( 6.771 0.000 -2.761) 7.312 7.299 ( -1.724 0.000 -2.315) 2.886 7.299 ( 1.724 0.000 -2.315) 2.886 8.029 ( -0.913 0.000 3.130) 3.260 8.029 ( 0.913 0.000 3.130) 3.260 8.066 ( -2.056 0.000 6.222) 6.553 8.066 ( 2.056 0.000 6.222) 6.553 8.341 ( -14.396 0.000 -1.054) 14.434 8.341 ( 14.396 0.000 -1.054) 14.434 8.362 ( -0.506 0.000 1.676) 1.750 8.362 ( 0.506 0.000 1.676) 1.750 8.714 ( -8.636 0.000 -1.144) 8.712 8.714 ( 8.636 0.000 -1.144) 8.712 9.267 ( -7.318 0.000 -4.720) 8.708 9.267 ( 7.318 0.000 -4.720) 8.708 9.451 ( -10.947 0.000 -1.279) 11.022 9.451 ( 10.947 0.000 -1.279) 11.022 9.627 ( -11.524 0.000 -18.236) 21.572 9.627 ( 11.524 0.000 -18.236) 21.572 10.435 ( -6.947 0.000 -4.199) 8.118 10.435 ( 6.947 0.000 -4.199) 8.118 10.784 ( -2.935 0.000 -0.982) 3.095 10.784 ( 2.935 0.000 -0.982) 3.095 11.664 ( -7.756 0.000 5.583) 9.557 11.664 ( 7.756 0.000 5.583) 9.557 11.858 ( -1.003 0.000 2.142) 2.365 11.858 ( 1.003 0.000 2.142) 2.365 12.171 ( -1.728 0.000 -5.046) 5.334 12.171 ( 1.728 0.000 -5.046) 5.334 12.206 ( -9.949 0.000 -5.881) 11.557 12.206 ( 9.949 0.000 -5.881) 11.557 12.658 ( -2.025 0.000 -2.455) 3.182 12.658 ( 2.025 0.000 -2.455) 3.182 12.960 ( -3.753 0.000 0.578) 3.797 12.960 ( 3.753 0.000 0.578) 3.797 13.668 ( -1.261 0.000 -1.285) 1.800 13.668 ( 1.261 0.000 -1.285) 1.800 14.117 ( -2.872 0.000 8.127) 8.619 14.117 ( 2.872 0.000 8.127) 8.619 14.283 ( -6.863 0.000 -1.766) 7.086 14.283 ( 6.863 0.000 -1.766) 7.086 14.687 ( -3.483 0.000 2.541) 4.311 14.687 ( 3.483 0.000 2.541) 4.311 14.765 ( -2.712 0.000 6.851) 7.368 14.765 ( 2.712 0.000 6.851) 7.368 15.293 ( -12.010 0.000 0.387) 12.016 15.293 ( 12.010 0.000 0.387) 12.016 15.418 ( -1.643 0.000 3.559) 3.920 15.418 ( 1.643 0.000 3.559) 3.920 15.747 ( -15.342 0.000 -10.082) 18.358 15.747 ( 15.342 0.000 -10.082) 18.358 15.934 ( -12.877 0.000 -8.426) 15.389 15.934 ( 12.877 0.000 -8.426) 15.389 17.473 ( -8.749 0.000 -0.394) 8.758 17.473 ( 8.749 0.000 -0.394) 8.758 18.247 ( -4.201 0.000 -4.754) 6.344 18.247 ( 4.201 0.000 -4.754) 6.344 18.325 ( -6.068 0.000 -5.612) 8.265 18.325 ( 6.068 0.000 -5.612) 8.265 24.575 ( -1.959 0.000 -1.855) 2.698 24.575 ( 1.959 0.000 -1.855) 2.698 24.816 ( -3.517 0.000 -7.554) 8.332 24.816 ( 3.517 0.000 -7.554) 8.332 26.475 ( -1.077 0.000 2.458) 2.684 26.475 ( 1.077 0.000 2.458) 2.684 26.676 ( -2.819 0.000 0.788) 2.927 26.676 ( 2.819 0.000 0.788) 2.927 28.133 ( -6.139 0.000 4.970) 7.899 28.133 ( 6.139 0.000 4.970) 7.899 28.171 ( -0.764 0.000 5.737) 5.788 28.171 ( 0.764 0.000 5.737) 5.788 28.312 ( -1.843 0.000 3.205) 3.697 28.312 ( 1.843 0.000 3.205) 3.697 28.405 ( -2.931 0.000 2.788) 4.046 28.405 ( 2.931 0.000 2.788) 4.046 28.776 ( -10.749 0.000 -3.409) 11.276 28.776 ( 10.749 0.000 -3.409) 11.276 29.217 ( -1.206 0.000 5.582) 5.711 29.217 ( 1.206 0.000 5.582) 5.711 29.839 ( -10.602 0.000 -13.445) 17.122 29.839 ( 10.602 0.000 -13.445) 17.122 29.980 ( -1.294 0.000 -0.213) 1.312 29.980 ( 1.294 0.000 -0.213) 1.312 30.272 ( -1.838 0.000 6.872) 7.114 30.272 ( 1.838 0.000 6.872) 7.114 30.961 ( -11.190 0.000 -0.536) 11.203 30.961 ( 11.190 0.000 -0.536) 11.203 ======================= Grid point 110 (40/72) ======================= q-point: ( 0.00 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 0.000 2.762 29.407) 29.537 2.387 ( 0.000 -9.745 26.353) 28.097 2.636 ( 0.000 -1.154 -11.113) 11.173 2.946 ( 0.000 1.831 9.168) 9.349 3.027 ( 0.000 0.254 2.621) 2.634 3.138 ( 0.000 12.154 1.273) 12.221 3.214 ( 0.000 5.085 -17.969) 18.675 3.315 ( 0.000 -0.267 2.900) 2.912 3.392 ( 0.000 -0.292 2.757) 2.773 3.639 ( 0.000 -11.206 6.771) 13.093 3.845 ( 0.000 -2.946 2.661) 3.970 3.939 ( 0.000 12.496 16.087) 20.370 4.045 ( 0.000 0.866 -5.948) 6.011 4.246 ( 0.000 -2.643 -8.442) 8.846 4.319 ( 0.000 5.744 -10.475) 11.946 4.345 ( 0.000 -4.757 18.756) 19.350 4.499 ( 0.000 6.384 8.496) 10.627 4.779 ( 0.000 -5.843 -6.470) 8.718 4.836 ( 0.000 -0.632 12.224) 12.241 4.904 ( 0.000 9.812 10.508) 14.377 4.943 ( 0.000 -0.099 -3.315) 3.317 5.094 ( 0.000 3.960 6.610) 7.705 5.147 ( 0.000 1.209 -8.903) 8.985 5.275 ( 0.000 4.718 2.203) 5.207 5.318 ( 0.000 9.105 -13.109) 15.961 5.388 ( 0.000 -5.866 -10.656) 12.164 5.526 ( 0.000 -1.177 0.502) 1.280 5.650 ( 0.000 -3.177 5.192) 6.087 5.665 ( 0.000 6.940 -11.301) 13.262 5.710 ( 0.000 -0.566 -6.228) 6.254 5.904 ( 0.000 -4.922 -4.075) 6.390 5.926 ( 0.000 -4.459 -4.966) 6.674 6.029 ( 0.000 4.079 4.571) 6.126 6.151 ( 0.000 0.109 -0.328) 0.345 6.169 ( 0.000 3.770 -2.299) 4.416 6.275 ( 0.000 1.022 -8.395) 8.457 6.344 ( 0.000 4.000 -11.076) 11.776 6.423 ( 0.000 1.915 -2.572) 3.206 6.580 ( 0.000 5.895 5.261) 7.901 6.908 ( 0.000 -6.012 0.202) 6.015 7.076 ( 0.000 -0.712 -2.869) 2.957 7.095 ( 0.000 -3.930 -1.036) 4.064 7.109 ( 0.000 -4.710 2.531) 5.347 7.132 ( 0.000 0.072 0.157) 0.173 7.210 ( 0.000 0.025 4.976) 4.976 7.316 ( 0.000 0.652 -2.327) 2.417 7.453 ( 0.000 1.727 9.059) 9.222 7.457 ( 0.000 4.507 3.926) 5.977 7.710 ( 0.000 -7.911 6.657) 10.339 7.772 ( 0.000 -7.261 -1.472) 7.409 7.977 ( 0.000 -6.577 8.867) 11.039 8.198 ( 0.000 8.163 -0.012) 8.163 8.282 ( 0.000 11.931 0.708) 11.952 8.382 ( 0.000 -7.976 -10.692) 13.339 8.454 ( 0.000 2.055 6.459) 6.778 8.475 ( 0.000 7.495 -4.363) 8.672 8.585 ( 0.000 6.357 7.191) 9.598 8.993 ( 0.000 -5.102 -7.895) 9.401 9.181 ( 0.000 -2.063 -13.429) 13.586 9.207 ( 0.000 3.352 4.121) 5.312 9.303 ( 0.000 2.491 -1.934) 3.154 9.357 ( 0.000 -5.635 0.426) 5.651 9.632 ( 0.000 -6.110 -7.214) 9.454 9.797 ( 0.000 -5.358 -17.058) 17.880 10.388 ( 0.000 3.474 -2.583) 4.329 10.632 ( 0.000 -2.545 -6.595) 7.069 10.703 ( 0.000 -1.181 -1.774) 2.131 10.745 ( 0.000 -5.132 0.070) 5.133 11.556 ( 0.000 -13.201 -3.259) 13.598 11.605 ( 0.000 -10.028 -7.269) 12.385 11.917 ( 0.000 -2.429 10.781) 11.051 11.932 ( 0.000 -1.533 0.926) 1.791 11.991 ( 0.000 -1.512 -0.005) 1.512 12.176 ( 0.000 5.744 -0.591) 5.775 12.182 ( 0.000 6.936 -3.372) 7.713 12.383 ( 0.000 10.480 -0.003) 10.480 12.456 ( 0.000 6.380 -1.477) 6.549 12.651 ( 0.000 -9.151 -8.871) 12.745 12.898 ( 0.000 -4.978 -1.086) 5.095 12.976 ( 0.000 -3.079 -1.337) 3.357 13.699 ( 0.000 2.321 -0.519) 2.378 13.735 ( 0.000 0.822 -0.891) 1.212 14.060 ( 0.000 0.724 9.256) 9.285 14.163 ( 0.000 0.700 6.114) 6.154 14.221 ( 0.000 0.999 6.325) 6.403 14.398 ( 0.000 -0.383 -3.593) 3.614 14.483 ( 0.000 -6.030 5.116) 7.908 14.621 ( 0.000 -6.376 3.412) 7.231 14.735 ( 0.000 5.975 1.987) 6.297 14.885 ( 0.000 6.440 8.706) 10.829 15.080 ( 0.000 0.007 1.885) 1.885 15.283 ( 0.000 -3.438 2.652) 4.342 15.369 ( 0.000 -3.975 -3.822) 5.515 15.521 ( 0.000 7.275 0.078) 7.276 15.581 ( 0.000 -0.591 -1.031) 1.188 15.913 ( 0.000 -9.259 -5.034) 10.539 16.026 ( 0.000 21.971 -8.314) 23.492 16.494 ( 0.000 12.905 -16.775) 21.164 17.184 ( 0.000 -2.395 3.145) 3.953 17.528 ( 0.000 -10.532 -2.304) 10.781 18.132 ( 0.000 0.351 -7.996) 8.004 18.176 ( 0.000 1.653 -2.677) 3.146 18.379 ( 0.000 -1.229 -3.115) 3.349 18.405 ( 0.000 -0.130 -7.073) 7.075 24.486 ( 0.000 1.132 -0.115) 1.138 24.574 ( 0.000 -0.429 -1.589) 1.646 24.759 ( 0.000 -1.519 -3.594) 3.902 24.877 ( 0.000 -3.793 -8.948) 9.719 26.460 ( 0.000 0.249 1.880) 1.896 26.524 ( 0.000 0.068 1.475) 1.477 26.579 ( 0.000 -0.848 2.732) 2.861 26.694 ( 0.000 -3.606 0.517) 3.643 28.003 ( 0.000 1.715 5.958) 6.199 28.195 ( 0.000 -0.290 2.219) 2.238 28.225 ( 0.000 3.924 4.174) 5.729 28.271 ( 0.000 3.372 6.917) 7.695 28.294 ( 0.000 1.941 3.744) 4.217 28.351 ( 0.000 2.325 3.058) 3.842 28.473 ( 0.000 -1.107 -1.221) 1.648 28.564 ( 0.000 10.208 2.090) 10.420 28.598 ( 0.000 5.837 1.819) 6.114 29.041 ( 0.000 -5.630 -6.321) 8.464 29.168 ( 0.000 -0.849 5.593) 5.657 29.263 ( 0.000 1.763 1.308) 2.195 29.517 ( 0.000 2.830 -3.672) 4.636 29.933 ( 0.000 -1.508 1.480) 2.114 29.988 ( 0.000 0.452 0.680) 0.817 30.069 ( 0.000 1.817 -14.293) 14.408 30.268 ( 0.000 -0.167 3.094) 3.098 30.342 ( 0.000 -5.095 10.531) 11.698 30.593 ( 0.000 -4.902 -3.398) 5.964 31.084 ( 0.000 -12.465 -6.131) 13.891 ======================= Grid point 111 (41/72) ======================= q-point: ( 0.25 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -0.583 -1.810 24.516) 24.590 2.530 ( 1.626 -4.000 12.823) 13.531 2.538 ( -2.161 0.631 10.772) 11.005 2.873 ( -10.052 7.297 6.813) 14.167 2.943 ( -0.126 3.752 6.751) 7.725 3.023 ( -4.909 9.169 -5.780) 11.899 3.282 ( 4.715 2.182 -13.940) 14.876 3.366 ( -1.030 -2.464 1.535) 3.080 3.561 ( 9.365 -6.797 2.496) 11.838 3.642 ( 1.573 -8.664 6.851) 11.157 3.801 ( -0.763 -3.971 -1.357) 4.265 4.017 ( 4.968 3.652 7.073) 9.383 4.062 ( 6.546 6.000 7.644) 11.717 4.197 ( -2.722 -0.522 -6.181) 6.774 4.253 ( -6.031 3.449 7.451) 10.187 4.447 ( 7.057 4.936 1.064) 8.677 4.608 ( 5.313 0.222 2.097) 5.716 4.734 ( -6.763 5.172 9.544) 12.789 4.802 ( -0.743 -3.000 -1.079) 3.274 4.854 ( -6.648 4.202 1.940) 8.100 4.948 ( 2.122 0.412 1.258) 2.501 5.011 ( 1.191 3.500 2.115) 4.260 5.190 ( -3.009 -1.099 -1.590) 3.576 5.253 ( 0.768 1.949 0.394) 2.131 5.369 ( 2.671 2.172 -8.430) 9.106 5.444 ( -0.379 -1.864 -0.987) 2.143 5.508 ( 3.586 1.881 -6.911) 8.010 5.606 ( -3.094 3.876 -13.711) 14.580 5.695 ( 3.296 2.638 5.219) 6.713 5.760 ( 3.015 -0.379 -5.040) 5.885 5.887 ( -0.355 0.532 -5.107) 5.147 5.942 ( 1.726 -5.385 -3.828) 6.828 6.003 ( -1.803 4.076 -0.678) 4.508 6.136 ( -1.470 0.750 -1.148) 2.010 6.143 ( -5.101 5.537 -5.449) 9.293 6.270 ( -2.319 3.820 -3.916) 5.942 6.311 ( -2.498 3.247 -6.238) 7.463 6.348 ( -3.215 2.034 -4.764) 6.096 6.643 ( 5.003 -1.035 1.325) 5.278 6.916 ( -1.428 -8.213 0.575) 8.356 7.002 ( -4.954 -2.691 -1.455) 5.822 7.031 ( -4.409 -1.690 8.331) 9.576 7.092 ( 0.365 -2.254 -1.063) 2.519 7.174 ( 2.406 -4.233 2.404) 5.430 7.244 ( 3.599 0.693 2.682) 4.541 7.308 ( -1.380 0.728 -1.061) 1.887 7.381 ( -4.536 2.651 3.070) 6.085 7.417 ( -4.474 3.358 2.116) 5.981 7.805 ( 6.437 -8.940 8.083) 13.664 7.871 ( 7.914 -5.060 -1.188) 9.468 8.001 ( 4.271 -6.156 8.505) 11.334 8.200 ( 0.223 7.890 0.238) 7.897 8.262 ( -1.536 8.046 0.897) 8.240 8.381 ( -3.274 -4.933 -5.457) 8.052 8.461 ( 0.944 5.585 4.697) 7.358 8.510 ( 2.266 5.696 -4.810) 7.792 8.606 ( 2.975 3.321 5.070) 6.752 8.866 ( -9.205 -2.566 -5.790) 11.173 9.218 ( -3.029 1.082 -1.308) 3.472 9.246 ( 6.806 -0.610 -1.603) 7.019 9.344 ( 1.578 -3.070 -2.733) 4.403 9.388 ( 8.640 -1.059 -10.225) 13.429 9.589 ( -5.313 -4.149 -5.449) 8.668 9.744 ( -5.703 -4.836 -16.952) 18.527 10.388 ( 0.874 3.130 -1.967) 3.798 10.564 ( -6.305 -1.032 -6.537) 9.141 10.706 ( 2.153 -2.126 0.948) 3.171 10.774 ( 0.327 -3.986 -1.706) 4.349 11.497 ( -0.981 -8.515 -0.145) 8.572 11.702 ( 4.612 -10.532 -2.933) 11.866 11.762 ( -8.876 -5.289 4.454) 11.251 11.914 ( -3.391 0.343 3.891) 5.173 12.089 ( 7.196 -0.295 -1.996) 7.473 12.157 ( -0.052 4.185 -3.858) 5.692 12.237 ( 2.435 6.139 -4.478) 7.980 12.354 ( -4.050 5.162 -3.625) 7.496 12.568 ( 10.071 3.957 -0.452) 10.830 12.655 ( 1.469 -2.619 -5.196) 6.002 12.874 ( -1.814 -5.314 -0.686) 5.657 12.967 ( -2.288 -4.188 -0.789) 4.837 13.682 ( -0.728 1.077 0.717) 1.484 13.729 ( -1.362 3.167 -0.558) 3.493 14.079 ( 1.944 -1.728 7.818) 8.239 14.139 ( -1.597 0.130 6.737) 6.925 14.219 ( 0.539 2.269 4.458) 5.031 14.358 ( -4.253 -1.886 -2.645) 5.352 14.533 ( 4.255 -5.658 4.135) 8.198 14.624 ( -0.055 -6.956 2.775) 7.490 14.782 ( 3.986 6.567 2.865) 8.199 14.879 ( -0.775 6.869 7.047) 9.871 15.131 ( 4.957 0.804 1.318) 5.192 15.312 ( 1.183 -3.995 1.168) 4.327 15.333 ( -0.663 -2.427 -0.580) 2.582 15.570 ( 1.829 2.699 -0.754) 3.346 15.593 ( 1.566 -0.944 -0.287) 1.850 15.819 ( -6.154 -3.357 -3.183) 7.699 16.049 ( 1.867 18.684 -11.103) 21.814 16.376 ( -11.134 14.601 -15.153) 23.807 17.262 ( 7.075 -4.005 1.090) 8.202 17.495 ( -3.614 -9.535 -2.089) 10.409 18.194 ( 5.873 0.062 -7.704) 9.688 18.198 ( 2.431 1.291 -2.756) 3.895 18.331 ( -3.844 -0.324 -3.929) 5.507 18.396 ( -2.176 -0.719 -6.049) 6.468 24.523 ( 3.465 0.809 -1.119) 3.730 24.582 ( 0.643 -0.201 -1.686) 1.816 24.757 ( 0.072 -1.953 -4.201) 4.633 24.846 ( -3.178 -3.628 -8.377) 9.666 26.465 ( 0.581 0.402 2.020) 2.140 26.505 ( -1.433 0.443 2.022) 2.518 26.604 ( 2.155 -1.552 1.962) 3.302 26.681 ( -1.408 -3.332 0.689) 3.682 28.043 ( 4.167 1.534 5.890) 7.377 28.194 ( -0.810 0.580 3.639) 3.773 28.228 ( 0.328 5.069 3.750) 6.313 28.265 ( 0.011 1.019 5.655) 5.746 28.291 ( -0.482 1.125 3.645) 3.845 28.313 ( -3.238 3.054 3.436) 5.623 28.478 ( -0.084 2.906 0.723) 2.996 28.536 ( -2.903 6.680 1.833) 7.511 28.644 ( 5.742 4.917 0.381) 7.569 28.961 ( -8.278 -1.771 -5.512) 10.102 29.174 ( 1.040 -1.871 5.548) 5.947 29.229 ( -1.478 0.042 4.024) 4.287 29.650 ( 10.881 2.187 -7.339) 13.305 29.934 ( -0.683 -1.699 -1.184) 2.181 29.985 ( -0.574 0.468 -2.010) 2.142 30.042 ( -2.391 3.124 -9.960) 10.709 30.259 ( -0.847 -0.401 3.657) 3.775 30.288 ( -3.810 -3.903 8.028) 9.706 30.686 ( 8.363 -6.823 -0.810) 10.824 31.017 ( -6.850 -11.512 -4.120) 14.015 ======================= Grid point 112 (42/72) ======================= q-point: (-0.50 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( -9.265 -1.713 14.225) 17.063 2.326 ( 9.265 -1.713 14.225) 17.063 2.711 ( -8.864 5.670 15.886) 19.054 2.711 ( 8.864 5.670 15.886) 19.054 2.959 ( -2.161 7.680 -1.227) 8.072 2.959 ( 2.161 7.680 -1.227) 8.072 3.343 ( -1.781 -1.589 -7.137) 7.526 3.343 ( 1.781 -1.589 -7.137) 7.526 3.617 ( -2.648 -12.974 1.065) 13.284 3.617 ( 2.648 -12.974 1.065) 13.284 3.956 ( -10.054 0.407 10.908) 14.840 3.956 ( 10.054 0.407 10.908) 14.840 4.151 ( -1.783 3.147 -6.067) 7.063 4.151 ( 1.783 3.147 -6.067) 7.063 4.378 ( -17.352 3.506 8.313) 19.557 4.378 ( 17.352 3.506 8.313) 19.557 4.629 ( -9.092 6.990 3.499) 11.991 4.629 ( 9.092 6.990 3.499) 11.991 4.798 ( -2.975 1.027 1.591) 3.526 4.798 ( 2.975 1.027 1.591) 3.526 5.031 ( -4.688 -1.878 0.645) 5.091 5.031 ( 4.688 -1.878 0.645) 5.091 5.196 ( -7.067 0.913 -2.099) 7.428 5.196 ( 7.067 0.913 -2.099) 7.428 5.401 ( -1.836 2.720 0.955) 3.418 5.401 ( 1.836 2.720 0.955) 3.418 5.577 ( -1.906 -3.020 -11.592) 12.130 5.577 ( 1.906 -3.020 -11.592) 12.130 5.755 ( -2.744 3.761 -1.421) 4.868 5.755 ( 2.744 3.761 -1.421) 4.868 5.942 ( -4.871 4.647 -6.748) 9.532 5.942 ( 4.871 4.647 -6.748) 9.532 6.024 ( -5.112 2.562 -2.184) 6.122 6.024 ( 5.112 2.562 -2.184) 6.122 6.159 ( -6.133 3.704 -4.076) 8.243 6.159 ( 6.133 3.704 -4.076) 8.243 6.309 ( -1.681 0.294 -2.937) 3.397 6.309 ( 1.681 0.294 -2.937) 3.397 6.784 ( -9.740 -3.354 -2.699) 10.648 6.784 ( 9.740 -3.354 -2.699) 10.648 6.985 ( -1.218 -7.874 6.694) 10.407 6.985 ( 1.218 -7.874 6.694) 10.407 7.146 ( -4.608 -2.792 3.727) 6.551 7.146 ( 4.608 -2.792 3.727) 6.551 7.312 ( -1.315 2.262 2.165) 3.396 7.312 ( 1.315 2.262 2.165) 3.396 7.331 ( -1.137 3.207 -2.204) 4.054 7.331 ( 1.137 3.207 -2.204) 4.054 7.899 ( -3.160 -7.099 6.449) 10.098 7.899 ( 3.160 -7.099 6.449) 10.098 8.170 ( -7.516 -2.747 -1.649) 8.171 8.170 ( 7.516 -2.747 -1.649) 8.171 8.265 ( -4.897 2.996 1.600) 5.959 8.265 ( 4.897 2.996 1.600) 5.959 8.491 ( -2.384 8.576 3.048) 9.409 8.491 ( 2.384 8.576 3.048) 9.409 8.710 ( -7.469 -0.403 -1.837) 7.702 8.710 ( 7.469 -0.403 -1.837) 7.702 9.254 ( -5.082 -1.206 -4.437) 6.853 9.254 ( 5.082 -1.206 -4.437) 6.853 9.433 ( -9.184 -1.428 -1.225) 9.374 9.433 ( 9.184 -1.428 -1.225) 9.374 9.597 ( -9.827 -3.134 -15.853) 18.913 9.597 ( 9.827 -3.134 -15.853) 18.913 10.446 ( -5.523 1.349 -3.683) 6.774 10.446 ( 5.523 1.349 -3.683) 6.774 10.752 ( -2.273 -2.816 -0.508) 3.654 10.752 ( 2.273 -2.816 -0.508) 3.654 11.565 ( -7.901 -6.378 4.456) 11.088 11.565 ( 7.901 -6.378 4.456) 11.088 11.828 ( -5.530 -4.447 0.309) 7.103 11.828 ( 5.530 -4.447 0.309) 7.103 12.194 ( -2.078 2.585 -2.088) 3.919 12.194 ( 2.078 2.585 -2.088) 3.919 12.247 ( -4.207 2.260 -9.064) 10.245 12.247 ( 4.207 2.260 -9.064) 10.245 12.693 ( -0.368 3.145 -1.514) 3.510 12.693 ( 0.368 3.145 -1.514) 3.510 12.885 ( -4.742 -5.743 0.268) 7.452 12.885 ( 4.742 -5.743 0.268) 7.452 13.693 ( -1.829 2.341 0.831) 3.085 13.693 ( 1.829 2.341 0.831) 3.085 14.114 ( -1.471 -1.311 6.797) 7.077 14.114 ( 1.471 -1.311 6.797) 7.077 14.267 ( -4.646 -0.499 0.305) 4.682 14.267 ( 4.646 -0.499 0.305) 4.682 14.601 ( -2.642 -6.424 2.990) 7.563 14.601 ( 2.642 -6.424 2.990) 7.563 14.848 ( -2.746 7.158 4.550) 8.915 14.848 ( 2.746 7.158 4.550) 8.915 15.234 ( -5.634 -1.168 -0.864) 5.818 15.234 ( 5.634 -1.168 -0.864) 5.818 15.454 ( -9.065 -1.164 3.735) 9.873 15.454 ( 9.065 -1.164 3.735) 9.873 15.710 ( -7.083 -2.851 -3.700) 8.484 15.710 ( 7.083 -2.851 -3.700) 8.484 16.159 ( -10.506 18.614 -13.009) 25.022 16.159 ( 10.506 18.614 -13.009) 25.022 17.397 ( -6.867 -7.033 -1.130) 9.894 17.397 ( 6.867 -7.033 -1.130) 9.894 18.255 ( -3.634 0.586 -4.226) 5.604 18.255 ( 3.634 0.586 -4.226) 5.604 18.318 ( -5.917 -0.593 -5.818) 8.320 18.318 ( 5.917 -0.593 -5.818) 8.320 24.578 ( -1.671 0.351 -1.867) 2.530 24.578 ( 1.671 0.351 -1.867) 2.530 24.782 ( -2.925 -3.017 -6.386) 7.645 24.782 ( 2.925 -3.017 -6.386) 7.645 26.481 ( -1.132 0.603 2.205) 2.551 26.481 ( 1.132 0.603 2.205) 2.551 26.646 ( -2.236 -2.574 1.186) 3.610 26.646 ( 2.236 -2.574 1.186) 3.610 28.136 ( -5.056 1.219 5.433) 7.522 28.136 ( 5.056 1.219 5.433) 7.522 28.252 ( -2.355 5.073 3.199) 6.443 28.252 ( 2.355 5.073 3.199) 6.443 28.280 ( -1.108 -0.371 4.598) 4.744 28.280 ( 1.108 -0.371 4.598) 4.744 28.488 ( -1.674 5.603 1.719) 6.095 28.488 ( 1.674 5.603 1.719) 6.095 28.789 ( -9.342 1.595 -2.201) 9.729 28.789 ( 9.342 1.595 -2.201) 9.729 29.203 ( -1.707 -1.513 4.888) 5.394 29.203 ( 1.707 -1.513 4.888) 5.394 29.843 ( -8.923 0.579 -9.900) 13.340 29.843 ( 8.923 0.579 -9.900) 13.340 30.000 ( -2.096 1.590 -1.826) 3.202 30.000 ( 2.096 1.590 -1.826) 3.202 30.249 ( -0.334 -1.761 5.518) 5.802 30.249 ( 0.334 -1.761 5.518) 5.802 30.858 ( -9.713 -9.383 -0.994) 13.542 30.858 ( 9.713 -9.383 -0.994) 13.542 ======================= Grid point 115 (43/72) ======================= q-point: ( 0.00 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( 0.000 1.701 21.948) 22.014 2.412 ( 0.000 7.754 15.179) 17.045 2.648 ( 0.000 0.746 1.782) 1.932 2.926 ( 0.000 -2.626 10.623) 10.943 2.944 ( 0.000 -6.248 -0.130) 6.250 3.116 ( 0.000 -16.008 0.157) 16.009 3.265 ( 0.000 -0.265 15.519) 15.521 3.386 ( 0.000 2.712 6.827) 7.346 3.493 ( 0.000 8.451 -1.897) 8.661 3.529 ( 0.000 3.612 -7.605) 8.420 3.723 ( 0.000 -3.340 -1.079) 3.510 4.027 ( 0.000 -4.396 0.686) 4.449 4.175 ( 0.000 6.109 5.302) 8.089 4.233 ( 0.000 1.099 -10.956) 11.011 4.308 ( 0.000 4.047 5.207) 6.595 4.523 ( 0.000 11.417 5.102) 12.505 4.630 ( 0.000 5.285 -2.775) 5.969 4.717 ( 0.000 -0.661 1.776) 1.895 4.852 ( 0.000 3.097 9.911) 10.383 4.901 ( 0.000 -3.194 -5.737) 6.566 5.106 ( 0.000 8.257 4.273) 9.297 5.111 ( 0.000 -2.829 -1.432) 3.171 5.139 ( 0.000 -1.415 1.361) 1.963 5.344 ( 0.000 1.713 2.713) 3.209 5.376 ( 0.000 -0.397 -3.368) 3.392 5.403 ( 0.000 4.101 -3.171) 5.184 5.523 ( 0.000 -5.804 -0.689) 5.844 5.549 ( 0.000 -3.783 -7.363) 8.278 5.723 ( 0.000 3.071 -3.311) 4.516 5.749 ( 0.000 1.428 -4.197) 4.434 5.931 ( 0.000 6.856 -5.894) 9.041 5.986 ( 0.000 11.627 -9.943) 15.299 6.089 ( 0.000 4.125 10.105) 10.915 6.191 ( 0.000 3.282 -3.573) 4.852 6.258 ( 0.000 3.632 -4.583) 5.848 6.286 ( 0.000 -0.143 -4.093) 4.095 6.367 ( 0.000 -3.629 -6.116) 7.112 6.446 ( 0.000 0.338 -1.431) 1.471 6.665 ( 0.000 1.254 2.219) 2.548 6.703 ( 0.000 -12.069 -1.997) 12.233 6.925 ( 0.000 -6.993 2.556) 7.446 6.949 ( 0.000 -7.765 3.250) 8.418 7.184 ( 0.000 7.322 -2.492) 7.734 7.211 ( 0.000 1.055 3.555) 3.709 7.226 ( 0.000 4.533 -5.632) 7.230 7.332 ( 0.000 0.764 -3.461) 3.545 7.469 ( 0.000 -0.154 8.256) 8.258 7.522 ( 0.000 -2.006 6.753) 7.045 7.590 ( 0.000 0.691 0.321) 0.762 7.654 ( 0.000 -4.364 -1.058) 4.490 7.860 ( 0.000 -4.058 9.406) 10.244 8.118 ( 0.000 -16.441 -4.820) 17.132 8.396 ( 0.000 10.193 -2.087) 10.405 8.431 ( 0.000 3.135 -0.575) 3.188 8.489 ( 0.000 0.965 4.388) 4.492 8.692 ( 0.000 8.786 -4.576) 9.906 8.735 ( 0.000 7.875 3.704) 8.703 8.897 ( 0.000 -1.333 -7.312) 7.432 9.112 ( 0.000 -5.213 -10.956) 12.134 9.183 ( 0.000 -9.746 -0.897) 9.787 9.295 ( 0.000 5.651 3.136) 6.463 9.366 ( 0.000 3.439 -1.327) 3.686 9.514 ( 0.000 -4.653 -2.299) 5.190 9.651 ( 0.000 -8.736 -10.594) 13.731 10.472 ( 0.000 4.169 -1.862) 4.566 10.573 ( 0.000 -2.636 -2.167) 3.413 10.644 ( 0.000 -3.700 -0.447) 3.726 10.667 ( 0.000 -2.250 -3.740) 4.365 11.348 ( 0.000 -6.289 -3.074) 7.000 11.414 ( 0.000 -7.804 -6.650) 10.253 11.907 ( 0.000 -0.577 1.101) 1.243 11.913 ( 0.000 2.419 7.587) 7.964 11.951 ( 0.000 -1.610 -3.237) 3.615 12.281 ( 0.000 3.930 -0.812) 4.013 12.286 ( 0.000 3.770 -0.513) 3.804 12.303 ( 0.000 -14.400 -2.867) 14.683 12.591 ( 0.000 7.434 -4.491) 8.685 12.662 ( 0.000 3.939 -6.897) 7.943 12.865 ( 0.000 1.675 -2.158) 2.732 12.931 ( 0.000 -0.820 -2.300) 2.442 13.705 ( 0.000 -1.253 2.447) 2.749 13.713 ( 0.000 -2.300 4.306) 4.882 14.110 ( 0.000 3.471 6.547) 7.410 14.173 ( 0.000 0.040 9.397) 9.397 14.253 ( 0.000 1.558 3.536) 3.864 14.341 ( 0.000 -4.571 1.987) 4.984 14.431 ( 0.000 0.576 1.014) 1.166 14.499 ( 0.000 -4.335 1.818) 4.700 14.878 ( 0.000 7.256 1.623) 7.436 15.008 ( 0.000 3.712 7.303) 8.192 15.110 ( 0.000 2.791 1.360) 3.105 15.256 ( 0.000 1.091 0.567) 1.229 15.289 ( 0.000 -3.890 -3.909) 5.515 15.502 ( 0.000 -7.215 -3.254) 7.915 15.598 ( 0.000 2.759 -0.858) 2.890 15.805 ( 0.000 -3.346 -0.437) 3.374 16.488 ( 0.000 22.082 -6.892) 23.132 16.759 ( 0.000 12.264 -14.464) 18.964 17.110 ( 0.000 -4.923 -1.177) 5.061 17.258 ( 0.000 -15.251 -3.102) 15.563 18.140 ( 0.000 0.442 -6.671) 6.685 18.179 ( 0.000 -1.178 -3.355) 3.555 18.374 ( 0.000 0.668 -3.976) 4.031 18.401 ( 0.000 -0.314 -6.409) 6.417 24.517 ( 0.000 1.778 -0.707) 1.914 24.564 ( 0.000 -0.491 -1.416) 1.499 24.727 ( 0.000 -1.273 -3.434) 3.662 24.789 ( 0.000 -4.218 -6.093) 7.411 26.472 ( 0.000 1.044 1.337) 1.696 26.522 ( 0.000 -0.365 1.342) 1.391 26.565 ( 0.000 -0.385 2.483) 2.512 26.614 ( 0.000 -3.545 1.156) 3.729 28.050 ( 0.000 2.705 5.345) 5.990 28.160 ( 0.000 -2.323 3.133) 3.900 28.312 ( 0.000 3.573 4.684) 5.891 28.340 ( 0.000 2.165 5.931) 6.314 28.355 ( 0.000 4.051 4.373) 5.961 28.449 ( 0.000 -1.415 -1.487) 2.052 28.466 ( 0.000 7.740 1.849) 7.958 28.703 ( 0.000 2.336 1.095) 2.580 28.779 ( 0.000 9.531 1.124) 9.598 28.927 ( 0.000 -4.202 -1.750) 4.551 29.151 ( 0.000 -0.292 4.297) 4.306 29.264 ( 0.000 -2.025 0.532) 2.093 29.604 ( 0.000 5.617 -0.660) 5.656 29.868 ( 0.000 -4.932 4.110) 6.420 30.005 ( 0.000 1.300 0.827) 1.541 30.144 ( 0.000 5.557 -9.699) 11.178 30.168 ( 0.000 -7.208 4.307) 8.396 30.343 ( 0.000 4.430 -1.659) 4.731 30.459 ( 0.000 -7.750 -4.197) 8.814 30.778 ( 0.000 -15.691 -5.508) 16.630 ======================= Grid point 116 (44/72) ======================= q-point: ( 0.25 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 1.876 6.454 15.907) 17.269 2.513 ( 1.301 2.674 5.172) 5.966 2.628 ( 3.576 7.013 17.074) 18.801 2.884 ( -2.504 -7.368 2.106) 8.062 2.936 ( -0.112 -2.763 9.855) 10.236 3.084 ( -6.444 -4.986 6.434) 10.382 3.204 ( -1.078 -12.943 10.702) 16.828 3.386 ( -2.166 -5.756 6.767) 9.144 3.492 ( -0.719 12.125 -10.266) 15.903 3.563 ( -0.648 5.074 -3.301) 6.088 3.756 ( 7.289 -1.106 0.904) 7.427 4.004 ( -2.495 -3.531 2.359) 4.925 4.211 ( -0.502 3.335 -5.981) 6.866 4.245 ( 5.325 1.805 4.808) 7.398 4.312 ( -0.278 8.839 6.400) 10.916 4.559 ( 6.809 3.539 -6.787) 10.244 4.654 ( -6.779 0.321 5.998) 9.058 4.714 ( 4.399 0.150 -2.999) 5.326 4.876 ( 3.357 6.528 1.000) 7.408 4.925 ( 0.349 1.604 6.212) 6.425 5.059 ( -5.185 7.270 -1.929) 9.136 5.082 ( -1.832 2.638 2.504) 4.072 5.157 ( -0.383 -2.672 -1.923) 3.314 5.258 ( -2.579 0.617 -2.097) 3.380 5.337 ( 1.142 -2.146 -4.389) 5.017 5.445 ( 0.365 1.272 3.634) 3.867 5.508 ( -3.398 -8.076 -7.363) 11.445 5.521 ( -2.727 -2.662 -0.035) 3.811 5.785 ( 4.448 2.464 -4.674) 6.907 5.859 ( 10.183 3.136 -1.300) 10.734 5.953 ( 1.342 9.252 -2.499) 9.677 6.025 ( 5.134 12.836 -9.352) 16.690 6.067 ( -1.470 3.812 4.214) 5.869 6.171 ( -1.402 3.387 -3.431) 5.021 6.235 ( -4.378 1.966 -3.582) 5.989 6.309 ( 2.698 0.527 -4.528) 5.297 6.344 ( -2.088 -1.554 -6.146) 6.675 6.431 ( -3.619 4.486 -3.368) 6.675 6.573 ( -4.090 -7.484 0.598) 8.550 6.708 ( -1.462 -8.532 -0.013) 8.656 6.887 ( -2.903 -4.735 1.593) 5.778 7.015 ( 5.317 -8.194 3.266) 10.299 7.094 ( -8.348 6.180 -0.135) 10.388 7.144 ( -5.565 3.249 -3.284) 7.233 7.233 ( 3.174 -0.871 3.879) 5.087 7.331 ( 0.076 0.371 -0.340) 0.509 7.410 ( -3.735 0.065 1.377) 3.981 7.472 ( -7.141 0.354 -0.895) 7.205 7.651 ( 8.673 -4.258 9.357) 13.450 7.773 ( 6.403 -3.750 0.676) 7.451 7.881 ( 2.309 -4.664 7.682) 9.279 8.099 ( -3.707 -15.045 -2.854) 15.756 8.393 ( 0.163 9.325 -0.022) 9.327 8.420 ( -1.059 3.609 2.280) 4.398 8.514 ( 3.282 -0.628 -0.219) 3.349 8.678 ( -2.732 2.314 -4.060) 5.413 8.753 ( 2.022 11.482 2.095) 11.846 8.846 ( -3.165 5.343 -3.981) 7.377 9.175 ( 1.702 -6.440 -3.785) 7.662 9.198 ( 4.252 -4.694 -8.336) 10.469 9.325 ( 1.094 2.356 2.178) 3.390 9.374 ( 4.508 0.367 -4.368) 6.288 9.500 ( -2.472 -3.654 -1.817) 4.771 9.612 ( -4.416 -7.610 -10.584) 13.763 10.469 ( 0.288 4.294 -1.476) 4.549 10.555 ( -2.536 0.703 -4.393) 5.121 10.643 ( 1.545 -3.780 0.810) 4.163 10.690 ( 0.688 -3.837 -2.284) 4.518 11.361 ( 2.954 -3.696 -1.190) 4.878 11.494 ( 7.726 -8.886 -5.036) 12.807 11.718 ( -13.590 1.042 2.973) 13.951 11.891 ( -7.465 -2.844 2.150) 8.273 12.062 ( 9.662 -1.448 -3.160) 10.268 12.125 ( 0.241 -5.500 -4.853) 7.339 12.369 ( 1.821 6.165 -3.298) 7.225 12.468 ( -7.494 5.860 -5.700) 11.090 12.564 ( 10.215 -2.438 0.475) 10.513 12.656 ( 2.767 -0.701 -4.626) 5.435 12.842 ( -2.547 1.785 -1.760) 3.574 12.912 ( -3.419 -0.792 -1.366) 3.766 13.696 ( 1.987 1.169 4.710) 5.244 13.784 ( 3.389 0.902 2.635) 4.386 14.023 ( -4.868 -1.655 7.973) 9.487 14.134 ( -4.764 -2.456 6.355) 8.313 14.278 ( 1.530 3.402 3.128) 4.868 14.333 ( -1.987 0.148 0.786) 2.142 14.446 ( 2.173 -2.740 3.280) 4.795 14.492 ( -0.423 -5.197 1.996) 5.583 14.938 ( 5.113 7.837 2.040) 9.577 15.041 ( 1.833 7.943 3.637) 8.926 15.156 ( 5.086 0.588 2.280) 5.604 15.268 ( 2.486 -0.100 1.460) 2.885 15.317 ( 0.704 0.528 -2.252) 2.418 15.465 ( -0.947 -9.081 -3.325) 9.717 15.575 ( -3.463 -0.336 0.306) 3.493 15.756 ( -5.360 -4.052 -0.929) 6.783 16.494 ( 1.557 21.668 -8.453) 23.310 16.695 ( -6.153 15.220 -13.145) 21.031 17.142 ( 2.980 -7.756 -2.424) 8.655 17.248 ( -1.379 -13.948 -3.294) 14.398 18.193 ( 5.085 -0.113 -6.342) 8.130 18.205 ( 2.837 -0.488 -3.379) 4.439 18.339 ( -3.280 1.006 -4.067) 5.321 18.381 ( -2.577 -0.786 -6.041) 6.615 24.548 ( 2.968 1.543 -1.440) 3.642 24.580 ( 1.494 0.017 -1.665) 2.236 24.713 ( -1.237 -1.937 -3.477) 4.168 24.761 ( -2.840 -4.108 -5.645) 7.537 26.481 ( 0.878 1.186 1.501) 2.105 26.517 ( -0.592 0.621 1.610) 1.824 26.570 ( 0.640 -1.567 2.076) 2.679 26.606 ( -0.818 -3.374 1.245) 3.688 28.087 ( 3.843 2.522 5.464) 7.140 28.182 ( 2.156 -1.647 3.425) 4.369 28.283 ( -4.033 1.633 6.456) 7.785 28.296 ( -2.641 1.314 3.735) 4.759 28.367 ( 1.426 5.313 3.023) 6.277 28.446 ( -1.822 7.754 2.286) 8.287 28.495 ( 3.454 -0.687 -0.305) 3.535 28.649 ( -4.648 2.106 0.235) 5.108 28.797 ( 2.157 8.506 1.798) 8.958 28.935 ( -0.965 0.298 -1.538) 1.839 29.119 ( -1.677 -2.868 4.561) 5.642 29.210 ( -3.771 -2.570 2.364) 5.140 29.718 ( 9.546 4.392 -3.034) 10.937 29.892 ( 2.081 -2.489 1.977) 3.799 29.997 ( -0.894 0.786 -0.618) 1.342 30.112 ( -4.539 0.566 -5.023) 6.794 30.182 ( 2.601 -0.914 0.977) 2.925 30.304 ( -3.142 3.988 -1.284) 5.237 30.510 ( 4.751 -9.535 -2.855) 11.029 30.730 ( -4.901 -14.923 -4.345) 16.297 ======================= Grid point 117 (45/72) ======================= q-point: (-0.50 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( -8.633 7.694 7.664) 13.873 2.382 ( 8.633 7.694 7.664) 13.873 2.829 ( -10.172 5.783 16.848) 20.512 2.829 ( 10.172 5.783 16.848) 20.512 2.930 ( -2.901 -10.277 7.651) 13.137 2.930 ( 2.901 -10.277 7.651) 13.137 3.281 ( -7.201 -14.132 3.878) 16.328 3.281 ( 7.201 -14.132 3.878) 16.328 3.515 ( -2.774 12.477 -6.103) 14.164 3.515 ( 2.774 12.477 -6.103) 14.164 3.918 ( -7.405 -3.989 3.249) 9.017 3.918 ( 7.405 -3.989 3.249) 9.017 4.232 ( -2.972 5.513 -1.687) 6.486 4.232 ( 2.972 5.513 -1.687) 6.486 4.447 ( -11.870 0.820 4.118) 12.590 4.447 ( 11.870 0.820 4.118) 12.590 4.764 ( -12.946 3.413 -1.727) 13.499 4.764 ( 12.946 3.413 -1.727) 13.499 4.851 ( -7.263 5.632 1.457) 9.306 4.851 ( 7.263 5.632 1.457) 9.306 5.029 ( -3.172 1.356 -0.912) 3.568 5.029 ( 3.172 1.356 -0.912) 3.568 5.230 ( -4.775 0.978 -3.531) 6.019 5.230 ( 4.775 0.978 -3.531) 6.019 5.405 ( -4.656 -1.646 -3.038) 5.798 5.405 ( 4.656 -1.646 -3.038) 5.798 5.463 ( -1.171 -5.451 1.192) 5.702 5.463 ( 1.171 -5.451 1.192) 5.702 5.873 ( -5.648 6.971 1.795) 9.150 5.873 ( 5.648 6.971 1.795) 9.150 6.053 ( -5.784 4.225 -6.107) 9.413 6.053 ( 5.784 4.225 -6.107) 9.413 6.144 ( -2.618 4.955 -1.725) 5.864 6.144 ( 2.618 4.955 -1.725) 5.864 6.220 ( -13.020 5.811 -7.560) 16.138 6.220 ( 13.020 5.811 -7.560) 16.138 6.334 ( -0.538 1.577 -2.796) 3.255 6.334 ( 0.538 1.577 -2.796) 3.255 6.632 ( -6.337 -10.667 -1.565) 12.506 6.632 ( 6.337 -10.667 -1.565) 12.506 6.918 ( -7.254 1.738 2.286) 7.802 6.918 ( 7.254 1.738 2.286) 7.802 7.091 ( -2.384 -2.668 1.759) 3.987 7.091 ( 2.384 -2.668 1.759) 3.987 7.317 ( -4.908 -0.936 1.152) 5.128 7.317 ( 4.908 -0.936 1.152) 5.128 7.367 ( -2.957 -0.944 -0.612) 3.164 7.367 ( 2.957 -0.944 -0.612) 3.164 7.785 ( -4.765 -2.871 7.819) 9.596 7.785 ( 4.765 -2.871 7.819) 9.596 7.982 ( -7.709 -10.652 0.594) 13.162 7.982 ( 7.709 -10.652 0.594) 13.162 8.403 ( -0.771 6.355 2.193) 6.767 8.403 ( 0.771 6.355 2.193) 6.767 8.597 ( -5.105 -1.848 -2.905) 6.158 8.597 ( 5.105 -1.848 -2.905) 6.158 8.797 ( -2.534 11.843 -0.066) 12.111 8.797 ( 2.534 11.843 -0.066) 12.111 9.212 ( -2.294 -3.647 -5.291) 6.824 9.212 ( 2.294 -3.647 -5.291) 6.824 9.406 ( -6.635 -0.832 -1.237) 6.800 9.406 ( 6.635 -0.832 -1.237) 6.800 9.500 ( -7.086 -5.589 -8.669) 12.514 9.500 ( 7.086 -5.589 -8.669) 12.514 10.499 ( -2.867 3.739 -2.769) 5.465 10.499 ( 2.867 3.739 -2.769) 5.465 10.680 ( -1.656 -4.076 -0.576) 4.437 10.680 ( 1.656 -4.076 -0.576) 4.437 11.483 ( -10.111 -0.885 1.684) 10.288 11.483 ( 10.111 -0.885 1.684) 10.288 11.685 ( -11.761 -8.353 -2.074) 14.574 11.685 ( 11.761 -8.353 -2.074) 14.574 12.250 ( -7.879 2.222 -2.785) 8.647 12.250 ( 7.879 2.222 -2.785) 8.647 12.275 ( -6.123 0.655 -8.387) 10.405 12.275 ( 6.123 0.655 -8.387) 10.405 12.753 ( -2.601 1.802 -1.296) 3.419 12.753 ( 2.601 1.802 -1.296) 3.419 12.790 ( -6.625 -2.597 -0.263) 7.121 12.790 ( 6.625 -2.597 -0.263) 7.121 13.765 ( -4.480 4.821 4.711) 8.094 13.765 ( 4.480 4.821 4.711) 8.094 14.032 ( -5.100 -6.247 6.012) 10.059 14.032 ( 5.100 -6.247 6.012) 10.059 14.298 ( -1.246 3.369 1.570) 3.920 14.298 ( 1.246 3.369 1.570) 3.920 14.481 ( -1.127 -5.023 3.043) 5.980 14.481 ( 1.127 -5.023 3.043) 5.980 15.024 ( -3.512 9.119 1.846) 9.945 15.024 ( 3.512 9.119 1.846) 9.945 15.258 ( -5.248 1.889 0.166) 5.580 15.258 ( 5.248 1.889 0.166) 5.580 15.389 ( -8.979 -2.815 1.637) 9.551 15.389 ( 8.979 -2.815 1.637) 9.551 15.617 ( -8.491 -6.479 -1.692) 10.813 15.617 ( 8.491 -6.479 -1.692) 10.813 16.570 ( -6.396 19.572 -11.087) 23.385 16.570 ( 6.396 19.572 -11.087) 23.385 17.203 ( -3.282 -11.514 -3.344) 12.431 17.203 ( 3.282 -11.514 -3.344) 12.431 18.268 ( -3.976 0.674 -3.936) 5.635 18.268 ( 3.976 0.674 -3.936) 5.635 18.303 ( -5.576 -0.842 -5.723) 8.034 18.303 ( 5.576 -0.842 -5.723) 8.034 24.595 ( -0.957 1.402 -2.087) 2.690 24.595 ( 0.957 1.402 -2.087) 2.690 24.708 ( -1.723 -3.783 -4.312) 5.990 24.708 ( 1.723 -3.783 -4.312) 5.990 26.500 ( -1.133 1.324 1.747) 2.468 26.500 ( 1.133 1.324 1.747) 2.468 26.587 ( -1.125 -2.832 1.527) 3.409 26.587 ( 1.125 -2.832 1.527) 3.409 28.176 ( -5.008 2.284 5.565) 7.827 28.176 ( 5.008 2.284 5.565) 7.827 28.246 ( -2.569 -1.110 4.001) 4.883 28.246 ( 2.569 -1.110 4.001) 4.883 28.404 ( -2.435 6.951 2.664) 7.832 28.404 ( 2.435 6.951 2.664) 7.832 28.564 ( -4.199 0.796 -0.061) 4.274 28.564 ( 4.199 0.796 -0.061) 4.274 28.865 ( -4.968 6.174 0.874) 7.973 28.865 ( 4.968 6.174 0.874) 7.973 29.143 ( -3.340 -4.577 3.524) 6.672 29.143 ( 3.340 -4.577 3.524) 6.672 29.876 ( -5.838 2.842 -4.000) 7.626 29.876 ( 5.838 2.842 -4.000) 7.626 30.015 ( -4.314 -1.162 -0.956) 4.569 30.015 ( 4.314 -1.162 -0.956) 4.569 30.242 ( -3.553 2.601 -0.035) 4.403 30.242 ( 3.553 2.601 -0.035) 4.403 30.618 ( -6.633 -12.841 -2.603) 14.686 30.618 ( 6.633 -12.841 -2.603) 14.686 ======================= Grid point 120 (46/72) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 0.000 -8.990 7.062) 11.432 2.431 ( 0.000 8.990 7.062) 11.432 2.747 ( 0.000 -13.502 16.027) 20.956 2.747 ( 0.000 13.502 16.027) 20.956 2.911 ( 0.000 -2.361 3.051) 3.858 2.911 ( 0.000 2.361 3.051) 3.858 3.297 ( 0.000 -4.986 11.721) 12.738 3.297 ( 0.000 4.986 11.721) 12.738 3.587 ( 0.000 -0.899 -0.084) 0.903 3.587 ( 0.000 0.899 -0.084) 0.903 3.849 ( 0.000 -11.335 -1.764) 11.471 3.849 ( 0.000 11.335 -1.764) 11.471 4.238 ( 0.000 -1.014 -5.973) 6.058 4.238 ( 0.000 1.014 -5.973) 6.058 4.502 ( 0.000 -10.314 -5.070) 11.493 4.502 ( 0.000 10.314 -5.070) 11.493 4.708 ( 0.000 -0.723 5.424) 5.472 4.708 ( 0.000 0.723 5.424) 5.472 4.943 ( 0.000 -0.145 0.900) 0.912 4.943 ( 0.000 0.145 0.900) 0.912 5.043 ( 0.000 -2.044 1.879) 2.776 5.043 ( 0.000 2.044 1.879) 2.776 5.266 ( 0.000 -7.979 -2.864) 8.478 5.266 ( 0.000 7.979 -2.864) 8.478 5.412 ( 0.000 -3.370 1.940) 3.888 5.412 ( 0.000 3.370 1.940) 3.888 5.489 ( 0.000 -1.401 0.378) 1.451 5.489 ( 0.000 1.401 0.378) 1.451 5.756 ( 0.000 -0.194 -5.382) 5.385 5.756 ( 0.000 0.194 -5.382) 5.385 6.145 ( 0.000 -8.557 -10.165) 13.287 6.145 ( 0.000 8.557 -10.165) 13.287 6.196 ( 0.000 -0.384 0.623) 0.732 6.196 ( 0.000 0.384 0.623) 0.732 6.258 ( 0.000 -0.647 -2.647) 2.725 6.258 ( 0.000 0.647 -2.647) 2.725 6.358 ( 0.000 -8.166 0.583) 8.186 6.358 ( 0.000 8.166 0.583) 8.186 6.601 ( 0.000 -4.683 1.949) 5.072 6.601 ( 0.000 4.683 1.949) 5.072 6.861 ( 0.000 -0.327 0.727) 0.798 6.861 ( 0.000 0.327 0.727) 0.798 7.230 ( 0.000 -2.246 2.411) 3.295 7.230 ( 0.000 2.246 2.411) 3.295 7.347 ( 0.000 -2.336 -10.433) 10.691 7.347 ( 0.000 2.336 -10.433) 10.691 7.477 ( 0.000 -1.700 8.323) 8.495 7.477 ( 0.000 1.700 8.323) 8.495 7.610 ( 0.000 -0.554 -4.887) 4.919 7.610 ( 0.000 0.554 -4.887) 4.919 7.846 ( 0.000 -5.304 9.165) 10.589 7.846 ( 0.000 5.304 9.165) 10.589 8.470 ( 0.000 -1.106 3.182) 3.369 8.470 ( 0.000 1.106 3.182) 3.369 8.617 ( 0.000 -9.148 -5.050) 10.449 8.617 ( 0.000 9.148 -5.050) 10.449 8.943 ( 0.000 -9.733 -1.218) 9.809 8.943 ( 0.000 9.733 -1.218) 9.809 9.015 ( 0.000 -8.024 -7.180) 10.767 9.015 ( 0.000 8.024 -7.180) 10.767 9.431 ( 0.000 -4.420 -2.319) 4.991 9.431 ( 0.000 4.420 -2.319) 4.991 9.459 ( 0.000 -8.503 -1.005) 8.563 9.459 ( 0.000 8.503 -1.005) 8.563 10.533 ( 0.000 -1.652 1.344) 2.130 10.533 ( 0.000 1.652 1.344) 2.130 10.621 ( 0.000 -1.505 -5.024) 5.244 10.621 ( 0.000 1.505 -5.024) 5.244 11.307 ( 0.000 -2.075 -4.781) 5.212 11.307 ( 0.000 2.075 -4.781) 5.212 11.912 ( 0.000 -1.030 0.994) 1.431 11.912 ( 0.000 1.030 0.994) 1.431 12.047 ( 0.000 -9.569 -1.515) 9.689 12.047 ( 0.000 9.569 -1.515) 9.689 12.328 ( 0.000 -0.073 -0.836) 0.839 12.328 ( 0.000 0.073 -0.836) 0.839 12.674 ( 0.000 -1.629 -6.069) 6.284 12.674 ( 0.000 1.629 -6.069) 6.284 12.920 ( 0.000 -1.665 -2.543) 3.039 12.920 ( 0.000 1.665 -2.543) 3.039 13.683 ( 0.000 -0.024 5.184) 5.184 13.683 ( 0.000 0.024 5.184) 5.184 14.165 ( 0.000 -1.300 7.637) 7.747 14.165 ( 0.000 1.300 7.637) 7.747 14.274 ( 0.000 -1.504 3.324) 3.648 14.274 ( 0.000 1.504 3.324) 3.648 14.450 ( 0.000 -1.163 0.859) 1.445 14.450 ( 0.000 1.163 0.859) 1.445 15.001 ( 0.000 -3.931 5.130) 6.463 15.001 ( 0.000 3.931 5.130) 6.463 15.189 ( 0.000 -4.671 -2.057) 5.104 15.189 ( 0.000 4.671 -2.057) 5.104 15.348 ( 0.000 -6.523 -1.355) 6.662 15.348 ( 0.000 6.523 -1.355) 6.662 15.700 ( 0.000 -6.329 -1.339) 6.469 15.700 ( 0.000 6.329 -1.339) 6.469 16.909 ( 0.000 -18.779 -4.882) 19.403 16.909 ( 0.000 18.779 -4.882) 19.403 16.975 ( 0.000 -8.489 -7.672) 11.442 16.975 ( 0.000 8.489 -7.672) 11.442 18.153 ( 0.000 -0.985 -4.853) 4.952 18.153 ( 0.000 0.985 -4.853) 4.952 18.391 ( 0.000 -0.723 -5.304) 5.353 18.391 ( 0.000 0.723 -5.304) 5.353 24.549 ( 0.000 -1.135 -1.204) 1.655 24.549 ( 0.000 1.135 -1.204) 1.655 24.726 ( 0.000 -1.547 -4.094) 4.376 24.726 ( 0.000 1.547 -4.094) 4.376 26.501 ( 0.000 -1.577 1.252) 2.013 26.501 ( 0.000 1.577 1.252) 2.013 26.568 ( 0.000 -0.909 1.726) 1.951 26.568 ( 0.000 0.909 1.726) 1.951 28.107 ( 0.000 -2.742 4.420) 5.201 28.107 ( 0.000 2.742 4.420) 5.201 28.360 ( 0.000 -0.739 7.090) 7.128 28.360 ( 0.000 0.739 7.090) 7.128 28.414 ( 0.000 -1.991 -0.049) 1.991 28.414 ( 0.000 1.991 -0.049) 1.991 28.633 ( 0.000 -7.535 -0.028) 7.535 28.633 ( 0.000 7.535 -0.028) 7.535 28.895 ( 0.000 -1.398 1.702) 2.203 28.895 ( 0.000 1.398 1.702) 2.203 29.189 ( 0.000 -4.101 1.965) 4.548 29.189 ( 0.000 4.101 1.965) 4.548 29.739 ( 0.000 -7.068 3.275) 7.790 29.739 ( 0.000 7.068 3.275) 7.790 30.052 ( 0.000 -3.690 1.494) 3.981 30.052 ( 0.000 3.690 1.494) 3.981 30.291 ( 0.000 -8.214 -6.151) 10.262 30.291 ( 0.000 8.214 -6.151) 10.262 30.497 ( 0.000 -10.830 -5.513) 12.153 30.497 ( 0.000 10.830 -5.513) 12.153 ======================= Grid point 122 (47/72) ======================= q-point: ( 0.25 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( 5.674 -10.140 6.152) 13.147 2.485 ( 5.674 10.140 6.152) 13.147 2.774 ( -2.568 -2.742 8.596) 9.381 2.774 ( -2.568 2.742 8.596) 9.381 2.865 ( 1.336 -5.171 10.680) 11.941 2.865 ( 1.336 5.171 10.680) 11.941 3.204 ( -8.883 -7.872 13.245) 17.785 3.204 ( -8.883 7.872 13.245) 17.785 3.662 ( 6.340 -3.077 -1.374) 7.180 3.662 ( 6.340 3.077 -1.374) 7.180 3.835 ( -1.866 -11.107 -2.467) 11.530 3.835 ( -1.866 11.107 -2.467) 11.530 4.266 ( 3.583 -1.223 -3.382) 5.077 4.266 ( 3.583 1.223 -3.382) 5.077 4.522 ( -4.498 -9.153 2.339) 10.464 4.522 ( -4.498 9.153 2.339) 10.464 4.662 ( 4.157 -4.595 -3.113) 6.934 4.662 ( 4.157 4.595 -3.113) 6.934 4.980 ( 0.432 -2.360 1.116) 2.646 4.980 ( 0.432 2.360 1.116) 2.646 5.078 ( 1.061 -3.885 -0.246) 4.035 5.078 ( 1.061 3.885 -0.246) 4.035 5.253 ( -1.361 -7.887 -3.600) 8.776 5.253 ( -1.361 7.887 -3.600) 8.776 5.317 ( -3.400 -5.637 0.168) 6.585 5.317 ( -3.400 5.637 0.168) 6.585 5.490 ( -2.576 -1.586 0.531) 3.071 5.490 ( -2.576 1.586 0.531) 3.071 5.841 ( 8.463 -2.868 -1.883) 9.132 5.841 ( 8.463 2.868 -1.883) 9.132 6.170 ( -1.212 -3.814 -1.685) 4.342 6.170 ( -1.212 3.814 -1.685) 4.342 6.218 ( 0.450 -4.037 -1.566) 4.354 6.218 ( 0.450 4.037 -1.566) 4.354 6.247 ( 0.859 -4.771 -4.534) 6.637 6.247 ( 0.859 4.771 -4.534) 6.637 6.327 ( 0.227 -6.254 -2.821) 6.864 6.327 ( 0.227 6.254 -2.821) 6.864 6.575 ( -4.551 -6.327 -2.176) 8.092 6.575 ( -4.551 6.327 -2.176) 8.092 6.872 ( 3.341 -3.601 2.254) 5.405 6.872 ( 3.341 3.601 2.254) 5.405 7.184 ( -6.442 -0.761 -2.034) 6.798 7.184 ( -6.442 0.761 -2.034) 6.798 7.293 ( -2.236 -5.324 -2.994) 6.504 7.293 ( -2.236 5.324 -2.994) 6.504 7.413 ( -5.747 -2.289 2.727) 6.760 7.413 ( -5.747 2.289 2.727) 6.760 7.684 ( 6.820 -5.496 2.363) 9.072 7.684 ( 6.820 5.496 2.363) 9.072 7.865 ( 0.078 -5.003 7.648) 9.139 7.865 ( 0.078 5.003 7.648) 9.139 8.474 ( 0.970 -1.877 2.135) 3.003 8.474 ( 0.970 1.877 2.135) 3.003 8.581 ( -3.323 -7.513 -2.966) 8.733 8.581 ( -3.323 7.513 -2.966) 8.733 8.989 ( 4.108 -9.753 -2.373) 10.846 8.989 ( 4.108 9.753 -2.373) 10.846 9.054 ( 2.766 -9.113 -7.766) 12.289 9.054 ( 2.766 9.113 -7.766) 12.289 9.385 ( -1.472 -1.200 -0.230) 1.913 9.385 ( -1.472 1.200 -0.230) 1.913 9.475 ( -1.131 -3.330 -3.142) 4.716 9.475 ( -1.131 3.330 -3.142) 4.716 10.549 ( 1.725 -3.417 0.376) 3.846 10.549 ( 1.725 3.417 0.376) 3.846 10.617 ( -0.724 -3.006 -3.903) 4.979 10.617 ( -0.724 3.006 -3.903) 4.979 11.361 ( 6.058 -3.591 -3.441) 7.838 11.361 ( 6.058 3.591 -3.441) 7.838 11.793 ( -14.505 -5.557 0.542) 15.543 11.793 ( -14.505 5.557 0.542) 15.543 12.051 ( 8.782 -0.994 -3.787) 9.616 12.051 ( 8.782 0.994 -3.787) 9.616 12.485 ( 1.760 -4.935 -2.461) 5.788 12.485 ( 1.760 4.935 -2.461) 5.788 12.588 ( 0.328 -5.078 -4.628) 6.879 12.588 ( 0.328 5.078 -4.628) 6.879 12.893 ( -3.708 -2.012 -1.463) 4.465 12.893 ( -3.708 2.012 -1.463) 4.465 13.747 ( 6.288 -3.379 5.585) 9.064 13.747 ( 6.288 3.379 5.585) 9.064 14.054 ( -8.675 -3.992 6.694) 11.662 14.054 ( -8.675 3.992 6.694) 11.662 14.336 ( 3.568 -1.349 3.359) 5.083 14.336 ( 3.568 1.349 3.359) 5.083 14.422 ( -2.241 -1.179 1.377) 2.882 14.422 ( -2.241 1.179 1.377) 2.882 15.074 ( 6.466 -4.804 4.073) 9.027 15.074 ( 6.466 4.804 4.073) 9.027 15.245 ( 4.276 -8.177 -1.721) 9.387 15.245 ( 4.276 8.177 -1.721) 9.387 15.319 ( -0.965 -3.105 -0.461) 3.284 15.319 ( -0.965 3.105 -0.461) 3.284 15.637 ( -6.915 -6.106 -1.241) 9.308 15.637 ( -6.915 6.106 -1.241) 9.308 16.898 ( 0.069 -17.053 -5.634) 17.959 16.898 ( 0.069 17.053 -5.634) 17.959 16.973 ( -1.180 -12.005 -7.637) 14.277 16.973 ( -1.180 12.005 -7.637) 14.277 18.194 ( 4.120 -0.299 -4.704) 6.260 18.194 ( 4.120 0.299 -4.704) 6.260 18.362 ( -3.058 -1.101 -5.137) 6.079 18.362 ( -3.058 1.101 -5.137) 6.079 24.575 ( 2.707 -0.776 -1.719) 3.299 24.575 ( 2.707 0.776 -1.719) 3.299 24.700 ( -2.641 -1.232 -3.760) 4.757 24.700 ( -2.641 1.232 -3.760) 4.757 26.512 ( 1.061 -1.515 1.350) 2.289 26.512 ( 1.061 1.515 1.350) 2.289 26.559 ( -0.949 -1.057 1.684) 2.203 26.559 ( -0.949 1.057 1.684) 2.203 28.139 ( 3.306 -2.391 4.644) 6.182 28.139 ( 3.306 2.391 4.644) 6.182 28.307 ( -4.375 -0.330 5.549) 7.074 28.307 ( -4.375 0.330 5.549) 7.074 28.455 ( 3.202 -3.092 1.181) 4.605 28.455 ( 3.202 3.092 1.181) 4.605 28.598 ( -3.489 -6.051 0.139) 6.986 28.598 ( -3.489 6.051 0.139) 6.986 28.930 ( 3.537 -3.602 2.065) 5.454 28.930 ( 3.537 3.602 2.065) 5.454 29.124 ( -5.771 -4.378 2.448) 7.646 29.124 ( -5.771 4.378 2.448) 7.646 29.819 ( 7.185 -4.757 1.545) 8.755 29.819 ( 7.185 4.757 1.545) 8.755 30.035 ( -2.385 -3.408 0.526) 4.192 30.035 ( -2.385 3.408 0.526) 4.192 30.307 ( 2.166 -8.500 -5.056) 10.125 30.307 ( 2.166 8.500 -5.056) 10.125 30.461 ( -3.721 -10.150 -4.682) 11.780 30.461 ( -3.721 10.150 -4.682) 11.780 ======================= Grid point 124 (48/72) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( -7.407 -14.727 4.460) 17.078 2.627 ( 4.135 -14.403 4.460) 15.634 2.627 ( -4.135 14.403 4.460) 15.634 2.627 ( 7.407 14.727 4.460) 17.078 3.013 ( -10.640 -10.808 15.133) 21.425 3.013 ( 9.283 -10.490 15.133) 20.621 3.013 ( -9.283 10.490 15.133) 20.621 3.013 ( 10.640 10.808 15.133) 21.425 3.772 ( -4.369 -10.248 -2.716) 11.467 3.772 ( 3.506 -10.165 -2.716) 11.090 3.772 ( -3.506 10.165 -2.716) 11.090 3.772 ( 4.369 10.248 -2.716) 11.467 4.376 ( -7.212 -6.636 1.131) 9.865 4.376 ( 1.923 -5.653 1.131) 6.077 4.376 ( -1.923 5.653 1.131) 6.077 4.376 ( 7.212 6.636 1.131) 9.865 4.845 ( -11.727 -4.624 -1.933) 12.753 4.845 ( -8.174 1.925 -1.933) 8.617 4.845 ( 8.174 -1.925 -1.933) 8.617 4.845 ( 11.727 4.624 -1.933) 12.753 5.152 ( -6.169 -8.149 -3.650) 10.853 5.152 ( 5.063 -7.956 -3.650) 10.112 5.152 ( -5.063 7.956 -3.650) 10.112 5.152 ( 6.169 8.149 -3.650) 10.853 5.397 ( -6.217 -1.486 0.353) 6.401 5.397 ( -5.501 -0.333 0.353) 5.522 5.397 ( 5.501 0.333 0.353) 5.522 5.397 ( 6.217 1.486 0.353) 6.401 6.029 ( -10.821 -6.123 2.142) 12.617 6.029 ( 10.041 -5.781 2.142) 11.783 6.029 ( -10.041 5.781 2.142) 11.783 6.029 ( 10.821 6.123 2.142) 12.617 6.242 ( -1.150 -6.096 -4.007) 7.385 6.242 ( 0.943 -6.087 -4.007) 7.349 6.242 ( -0.943 6.087 -4.007) 7.349 6.242 ( 1.150 6.096 -4.007) 7.385 6.437 ( -8.819 -7.928 -4.552) 12.703 6.437 ( 8.759 -7.912 -4.552) 12.651 6.437 ( -8.759 7.912 -4.552) 12.651 6.437 ( 8.819 7.928 -4.552) 12.703 7.009 ( -10.367 -5.568 -1.636) 11.881 7.009 ( 5.377 -3.371 -1.636) 6.554 7.009 ( -5.377 3.371 -1.636) 6.554 7.009 ( 10.367 5.568 -1.636) 11.881 7.316 ( -3.928 -1.930 1.934) 4.785 7.316 ( -0.856 -0.224 1.934) 2.127 7.316 ( 0.856 0.224 1.934) 2.127 7.316 ( 3.928 1.930 1.934) 4.785 7.810 ( -5.361 -5.090 5.816) 9.406 7.810 ( 2.583 -4.516 5.816) 7.803 7.810 ( -2.583 4.516 5.816) 7.803 7.810 ( 5.361 5.090 5.816) 9.406 8.516 ( -3.196 -4.894 -0.102) 5.846 8.516 ( 2.844 -4.840 -0.102) 5.614 8.516 ( -2.844 4.840 -0.102) 5.614 8.516 ( 3.196 4.894 -0.102) 5.846 9.059 ( -2.323 -11.340 -5.291) 12.728 9.059 ( 2.207 -11.334 -5.291) 12.702 9.059 ( -2.207 11.334 -5.291) 12.702 9.059 ( 2.323 11.340 -5.291) 12.728 9.416 ( -4.060 -2.103 -2.100) 5.032 9.416 ( 1.179 -0.807 -2.100) 2.540 9.416 ( -1.179 0.807 -2.100) 2.540 9.416 ( 4.060 2.103 -2.100) 5.032 10.589 ( -2.036 -4.656 -1.735) 5.370 10.589 ( 1.829 -4.635 -1.735) 5.276 10.589 ( -1.829 4.635 -1.735) 5.276 10.589 ( 2.036 4.656 -1.735) 5.370 11.533 ( -12.377 -5.479 -1.243) 13.592 11.533 ( -7.066 2.051 -1.243) 7.461 11.533 ( 7.066 -2.051 -1.243) 7.461 11.533 ( 12.377 5.479 -1.243) 13.592 12.278 ( -14.207 -0.501 -5.892) 15.389 12.278 ( -14.206 0.491 -5.892) 15.387 12.278 ( 14.206 -0.491 -5.892) 15.387 12.278 ( 14.207 0.501 -5.892) 15.389 12.768 ( -9.772 -0.514 -0.747) 9.814 12.768 ( -9.772 0.513 -0.747) 9.814 12.768 ( 9.772 -0.513 -0.747) 9.814 12.768 ( 9.772 0.514 -0.747) 9.814 13.889 ( -7.562 -6.642 6.276) 11.861 13.889 ( 0.421 -5.465 6.276) 8.332 13.889 ( -0.421 5.465 6.276) 8.332 13.889 ( 7.562 6.642 6.276) 11.861 14.384 ( -0.864 -4.490 2.235) 5.089 14.384 ( 0.065 -4.469 2.235) 4.997 14.384 ( -0.065 4.469 2.235) 4.997 14.384 ( 0.864 4.490 2.235) 5.089 15.193 ( -5.924 -6.930 1.465) 9.234 15.193 ( 5.389 -6.820 1.465) 8.815 15.193 ( -5.389 6.820 1.465) 8.815 15.193 ( 5.924 6.930 1.465) 9.234 15.460 ( -10.112 -7.353 -0.954) 12.539 15.460 ( -0.376 -5.342 -0.954) 5.439 15.460 ( 0.376 5.342 -0.954) 5.439 15.460 ( 10.112 7.353 -0.954) 12.539 16.929 ( -2.860 -15.322 -6.988) 17.082 16.929 ( 2.856 -15.322 -6.988) 17.081 16.929 ( -2.856 15.322 -6.988) 17.081 16.929 ( 2.860 15.322 -6.988) 17.082 18.284 ( -5.077 -0.937 -4.784) 7.039 18.284 ( -5.063 0.919 -4.784) 7.026 18.284 ( 5.063 -0.919 -4.784) 7.026 18.284 ( 5.077 0.937 -4.784) 7.039 24.638 ( -2.471 -2.467 -2.830) 4.494 24.638 ( -1.643 -2.288 -2.830) 3.993 24.638 ( 1.643 2.288 -2.830) 3.993 24.638 ( 2.471 2.467 -2.830) 4.494 26.536 ( -1.094 -2.089 1.545) 2.819 26.536 ( 0.489 -2.031 1.545) 2.598 26.536 ( -0.489 2.031 1.545) 2.598 26.536 ( 1.094 2.089 1.545) 2.819 28.218 ( -4.833 -1.605 5.101) 7.207 28.218 ( -3.774 0.545 5.101) 6.368 28.218 ( 3.774 -0.545 5.101) 6.368 28.218 ( 4.833 1.605 5.101) 7.207 28.523 ( -4.154 -4.303 0.729) 6.025 28.523 ( 4.131 -4.297 0.729) 6.005 28.523 ( -4.131 4.297 0.729) 6.005 28.523 ( 4.154 4.303 0.729) 6.025 29.015 ( -4.547 -7.312 2.516) 8.971 29.015 ( 2.168 -7.034 2.516) 7.779 29.015 ( -2.168 7.034 2.516) 7.779 29.015 ( 4.547 7.312 2.516) 8.971 29.952 ( -5.549 -3.734 -0.298) 6.695 29.952 ( -1.625 -2.627 -0.298) 3.103 29.952 ( 1.625 2.627 -0.298) 3.103 29.952 ( 5.549 3.734 -0.298) 6.695 30.376 ( -4.584 -9.834 -3.791) 11.493 30.376 ( 4.104 -9.781 -3.791) 11.264 30.376 ( -4.104 9.781 -3.791) 11.264 30.376 ( 4.584 9.834 -3.791) 11.493 ======================= Grid point 140 (49/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 0.000 0.000 -20.989) 20.989 2.329 ( 0.000 0.000 -25.054) 25.054 2.788 ( 0.000 0.000 15.589) 15.589 3.029 ( 0.000 0.000 1.537) 1.537 3.030 ( 0.000 0.000 6.906) 6.906 3.238 ( 0.000 0.000 -9.230) 9.230 3.308 ( 0.000 0.000 26.930) 26.930 3.375 ( 0.000 0.000 20.867) 20.867 3.472 ( 0.000 0.000 5.287) 5.287 3.707 ( 0.000 0.000 -9.875) 9.875 3.909 ( 0.000 0.000 -4.572) 4.572 3.914 ( 0.000 0.000 2.992) 2.992 3.972 ( 0.000 0.000 2.290) 2.290 4.124 ( 0.000 0.000 -9.970) 9.970 4.393 ( 0.000 0.000 11.859) 11.859 4.527 ( 0.000 0.000 -8.882) 8.882 4.561 ( 0.000 0.000 7.206) 7.206 4.777 ( 0.000 0.000 -6.091) 6.091 4.838 ( 0.000 0.000 -5.141) 5.141 4.847 ( 0.000 0.000 -7.410) 7.410 4.925 ( 0.000 0.000 -13.705) 13.705 4.982 ( 0.000 0.000 2.315) 2.315 5.041 ( 0.000 0.000 0.847) 0.847 5.096 ( 0.000 0.000 -2.201) 2.201 5.283 ( 0.000 0.000 4.274) 4.274 5.372 ( 0.000 0.000 11.225) 11.225 5.500 ( 0.000 0.000 7.085) 7.085 5.546 ( 0.000 0.000 -6.047) 6.047 5.713 ( 0.000 0.000 4.548) 4.548 5.807 ( 0.000 0.000 2.279) 2.279 5.845 ( 0.000 0.000 -2.988) 2.988 5.907 ( 0.000 0.000 -1.297) 1.297 6.045 ( 0.000 0.000 3.852) 3.852 6.114 ( 0.000 0.000 -4.845) 4.845 6.143 ( 0.000 0.000 -0.588) 0.588 6.150 ( 0.000 0.000 -0.689) 0.689 6.202 ( 0.000 0.000 -0.024) 0.024 6.310 ( 0.000 0.000 -5.036) 5.036 6.590 ( 0.000 0.000 7.101) 7.101 6.891 ( 0.000 0.000 -5.047) 5.047 7.036 ( 0.000 0.000 1.093) 1.093 7.162 ( 0.000 0.000 -1.166) 1.166 7.163 ( 0.000 0.000 -0.948) 0.948 7.197 ( 0.000 0.000 -0.048) 0.048 7.281 ( 0.000 0.000 4.246) 4.246 7.322 ( 0.000 0.000 1.795) 1.795 7.491 ( 0.000 0.000 -6.755) 6.755 7.524 ( 0.000 0.000 -0.141) 0.141 7.791 ( 0.000 0.000 0.512) 0.512 7.915 ( 0.000 0.000 3.842) 3.842 8.139 ( 0.000 0.000 1.838) 1.838 8.169 ( 0.000 0.000 4.716) 4.716 8.243 ( 0.000 0.000 7.484) 7.484 8.366 ( 0.000 0.000 3.564) 3.564 8.440 ( 0.000 0.000 0.955) 0.955 8.462 ( 0.000 0.000 2.066) 2.066 8.701 ( 0.000 0.000 11.801) 11.801 8.906 ( 0.000 0.000 -6.632) 6.632 8.965 ( 0.000 0.000 -9.775) 9.775 9.213 ( 0.000 0.000 1.712) 1.712 9.298 ( 0.000 0.000 3.929) 3.929 9.382 ( 0.000 0.000 -3.755) 3.755 9.435 ( 0.000 0.000 -22.280) 22.280 9.516 ( 0.000 0.000 -8.048) 8.048 10.340 ( 0.000 0.000 1.141) 1.141 10.488 ( 0.000 0.000 -7.032) 7.032 10.711 ( 0.000 0.000 -0.423) 0.423 10.765 ( 0.000 0.000 -2.783) 2.783 11.628 ( 0.000 0.000 -4.512) 4.512 11.656 ( 0.000 0.000 -6.339) 6.339 11.962 ( 0.000 0.000 -0.320) 0.320 11.964 ( 0.000 0.000 1.155) 1.155 12.011 ( 0.000 0.000 -0.959) 0.959 12.029 ( 0.000 0.000 -3.032) 3.032 12.188 ( 0.000 0.000 11.257) 11.257 12.349 ( 0.000 0.000 3.587) 3.587 12.372 ( 0.000 0.000 0.677) 0.677 12.592 ( 0.000 0.000 -7.998) 7.998 12.980 ( 0.000 0.000 -1.046) 1.046 12.989 ( 0.000 0.000 -1.610) 1.610 13.589 ( 0.000 0.000 -2.731) 2.731 13.630 ( 0.000 0.000 -4.221) 4.221 14.216 ( 0.000 0.000 5.260) 5.260 14.229 ( 0.000 0.000 2.968) 2.968 14.292 ( 0.000 0.000 1.319) 1.319 14.331 ( 0.000 0.000 -2.834) 2.834 14.685 ( 0.000 0.000 5.659) 5.659 14.766 ( 0.000 0.000 2.273) 2.273 14.821 ( 0.000 0.000 10.756) 10.756 15.040 ( 0.000 0.000 8.889) 8.889 15.114 ( 0.000 0.000 1.325) 1.325 15.313 ( 0.000 0.000 -6.109) 6.109 15.450 ( 0.000 0.000 3.596) 3.596 15.490 ( 0.000 0.000 0.146) 0.146 15.546 ( 0.000 0.000 1.885) 1.885 15.587 ( 0.000 0.000 0.494) 0.494 15.864 ( 0.000 0.000 -10.727) 10.727 16.015 ( 0.000 0.000 -14.998) 14.998 17.309 ( 0.000 0.000 5.631) 5.631 17.565 ( 0.000 0.000 -5.813) 5.813 18.068 ( 0.000 0.000 1.731) 1.731 18.122 ( 0.000 0.000 0.210) 0.210 18.267 ( 0.000 0.000 -6.366) 6.366 18.301 ( 0.000 0.000 -6.403) 6.403 24.489 ( 0.000 0.000 1.358) 1.358 24.551 ( 0.000 0.000 -1.256) 1.256 24.714 ( 0.000 0.000 -2.320) 2.320 24.759 ( 0.000 0.000 -5.667) 5.667 26.501 ( 0.000 0.000 1.995) 1.995 26.542 ( 0.000 0.000 0.271) 0.271 26.634 ( 0.000 0.000 1.982) 1.982 26.714 ( 0.000 0.000 -1.871) 1.871 28.108 ( 0.000 0.000 5.742) 5.742 28.241 ( 0.000 0.000 -0.667) 0.667 28.246 ( 0.000 0.000 3.352) 3.352 28.312 ( 0.000 0.000 0.705) 0.705 28.356 ( 0.000 0.000 7.443) 7.443 28.459 ( 0.000 0.000 2.746) 2.746 28.485 ( 0.000 0.000 -0.791) 0.791 28.493 ( 0.000 0.000 6.523) 6.523 28.527 ( 0.000 0.000 -0.133) 0.133 28.882 ( 0.000 0.000 -11.822) 11.822 29.267 ( 0.000 0.000 3.072) 3.072 29.297 ( 0.000 0.000 1.840) 1.840 29.429 ( 0.000 0.000 -0.301) 0.301 29.733 ( 0.000 0.000 -14.625) 14.625 29.956 ( 0.000 0.000 0.591) 0.591 29.985 ( 0.000 0.000 -0.461) 0.461 30.386 ( 0.000 0.000 6.275) 6.275 30.585 ( 0.000 0.000 -3.324) 3.324 30.658 ( 0.000 0.000 12.003) 12.003 31.064 ( 0.000 0.000 -8.668) 8.668 ======================= Grid point 141 (50/72) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 1.018 0.000 -20.936) 20.961 2.307 ( -2.186 0.000 -23.612) 23.712 2.783 ( 0.465 0.000 17.930) 17.936 3.019 ( -11.939 0.000 18.788) 22.260 3.025 ( 0.208 0.000 6.197) 6.201 3.043 ( 0.331 0.000 3.378) 3.394 3.364 ( 0.074 0.000 14.946) 14.946 3.458 ( -1.998 0.000 6.133) 6.450 3.586 ( 17.873 0.000 -3.162) 18.151 3.697 ( -0.215 0.000 -7.855) 7.858 3.810 ( -5.566 0.000 -2.514) 6.108 3.975 ( -0.452 0.000 -1.042) 1.136 4.014 ( 6.082 0.000 0.662) 6.118 4.149 ( 0.862 0.000 -4.924) 4.999 4.382 ( -1.628 0.000 4.972) 5.232 4.477 ( -6.831 0.000 -6.455) 9.399 4.634 ( 6.659 0.000 3.271) 7.419 4.731 ( 0.460 0.000 -9.710) 9.721 4.811 ( -2.624 0.000 -3.971) 4.760 4.844 ( -2.933 0.000 2.898) 4.123 4.988 ( 9.355 0.000 -9.004) 12.984 4.997 ( 2.200 0.000 1.464) 2.642 5.055 ( 0.861 0.000 -0.817) 1.187 5.174 ( 3.989 0.000 -0.272) 3.999 5.309 ( 2.752 0.000 4.534) 5.304 5.348 ( -1.290 0.000 7.407) 7.518 5.488 ( -3.072 0.000 7.127) 7.761 5.504 ( -5.139 0.000 -2.584) 5.752 5.745 ( 3.906 0.000 1.876) 4.333 5.753 ( -3.726 0.000 -0.204) 3.731 5.839 ( -0.332 0.000 -2.709) 2.730 5.897 ( -3.582 0.000 -5.927) 6.926 5.974 ( -2.347 0.000 7.412) 7.775 6.099 ( -4.024 0.000 -0.569) 4.064 6.105 ( -4.239 0.000 -0.572) 4.278 6.161 ( 5.265 0.000 -3.387) 6.261 6.169 ( -7.638 0.000 0.654) 7.666 6.281 ( 2.254 0.000 -1.917) 2.959 6.663 ( 4.824 0.000 3.614) 6.027 6.946 ( -8.481 0.000 0.733) 8.512 6.997 ( 9.532 0.000 -5.244) 10.879 7.174 ( 1.852 0.000 0.235) 1.867 7.194 ( 0.211 0.000 -1.796) 1.808 7.202 ( 3.080 0.000 -0.978) 3.232 7.262 ( -1.917 0.000 3.499) 3.990 7.305 ( -1.755 0.000 1.060) 2.050 7.383 ( -4.877 0.000 2.867) 5.657 7.537 ( -4.090 0.000 2.941) 5.038 7.890 ( 8.540 0.000 -0.717) 8.570 7.967 ( 4.832 0.000 -1.462) 5.048 8.143 ( 0.451 0.000 2.038) 2.088 8.167 ( -0.350 0.000 3.695) 3.712 8.252 ( 1.431 0.000 5.014) 5.215 8.385 ( 1.947 0.000 4.467) 4.873 8.429 ( -2.336 0.000 -1.255) 2.652 8.457 ( -0.725 0.000 2.858) 2.948 8.704 ( 0.669 0.000 9.576) 9.600 8.815 ( -5.234 0.000 -1.983) 5.597 9.090 ( 8.723 0.000 -14.145) 16.619 9.180 ( -3.475 0.000 0.225) 3.482 9.276 ( -1.226 0.000 -1.148) 1.680 9.360 ( -0.297 0.000 0.426) 0.519 9.384 ( -5.320 0.000 -21.399) 22.050 9.504 ( -2.250 0.000 -5.527) 5.967 10.346 ( 0.869 0.000 0.841) 1.210 10.450 ( -3.583 0.000 -4.946) 6.108 10.723 ( 1.386 0.000 -0.627) 1.521 10.771 ( -0.126 0.000 -2.853) 2.855 11.620 ( 3.826 0.000 0.981) 3.949 11.804 ( 10.895 0.000 -8.611) 13.887 11.924 ( -1.931 0.000 2.049) 2.816 11.937 ( -2.091 0.000 2.227) 3.055 12.036 ( -11.818 0.000 8.942) 14.819 12.047 ( 2.172 0.000 -3.104) 3.788 12.056 ( 1.765 0.000 -4.473) 4.809 12.287 ( -7.719 0.000 -2.619) 8.151 12.528 ( 10.942 0.000 1.515) 11.046 12.589 ( 2.211 0.000 -2.947) 3.684 12.957 ( -2.045 0.000 -0.439) 2.092 12.994 ( -1.060 0.000 -2.158) 2.404 13.599 ( 0.951 0.000 -2.592) 2.761 13.628 ( -0.283 0.000 -3.623) 3.634 14.218 ( 0.294 0.000 4.760) 4.769 14.230 ( 0.847 0.000 2.595) 2.730 14.268 ( -2.102 0.000 2.156) 3.011 14.318 ( -1.680 0.000 -2.385) 2.917 14.691 ( 1.037 0.000 3.699) 3.841 14.763 ( -1.129 0.000 1.054) 1.545 14.861 ( 3.829 0.000 9.950) 10.661 15.011 ( -2.928 0.000 8.887) 9.357 15.158 ( 5.505 0.000 2.425) 6.016 15.373 ( 3.674 0.000 -8.098) 8.892 15.459 ( 0.879 0.000 2.629) 2.772 15.490 ( -0.267 0.000 1.013) 1.048 15.507 ( -2.127 0.000 4.164) 4.676 15.641 ( 5.861 0.000 -1.123) 5.967 15.781 ( -8.241 0.000 -9.126) 12.297 15.944 ( -7.125 0.000 -11.841) 13.819 17.355 ( 4.502 0.000 3.112) 5.473 17.534 ( -3.331 0.000 -4.693) 5.755 18.106 ( 3.113 0.000 -0.701) 3.190 18.150 ( 3.246 0.000 0.155) 3.249 18.228 ( -2.944 0.000 -5.525) 6.261 18.299 ( -1.333 0.000 -5.552) 5.710 24.513 ( 2.368 0.000 0.751) 2.484 24.559 ( 0.636 0.000 -1.006) 1.190 24.704 ( -0.861 0.000 -2.759) 2.890 24.737 ( -2.149 0.000 -5.230) 5.654 26.505 ( 0.435 0.000 1.933) 1.981 26.533 ( -0.826 0.000 0.902) 1.223 26.648 ( 1.378 0.000 1.065) 1.741 26.703 ( -1.075 0.000 -1.471) 1.821 28.143 ( 3.436 0.000 5.078) 6.131 28.245 ( -0.056 0.000 0.164) 0.173 28.252 ( 0.819 0.000 3.789) 3.877 28.321 ( -1.020 0.000 3.749) 3.885 28.334 ( -0.055 0.000 3.608) 3.609 28.416 ( -3.030 0.000 2.403) 3.867 28.441 ( -1.295 0.000 2.549) 2.859 28.496 ( -2.900 0.000 0.213) 2.907 28.599 ( 6.653 0.000 2.123) 6.984 28.833 ( -4.842 0.000 -7.603) 9.014 29.280 ( 1.136 0.000 2.956) 3.167 29.300 ( 0.202 0.000 2.058) 2.068 29.484 ( 5.411 0.000 -4.148) 6.818 29.696 ( -3.934 0.000 -13.439) 14.003 29.959 ( 0.409 0.000 0.263) 0.487 29.983 ( -0.320 0.000 -0.649) 0.724 30.383 ( -0.083 0.000 5.973) 5.974 30.474 ( -6.051 0.000 3.943) 7.223 30.792 ( 8.627 0.000 3.430) 9.284 31.031 ( -3.558 0.000 -6.478) 7.390 ======================= Grid point 142 (51/72) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( -2.297 0.000 -21.589) 21.711 2.262 ( 2.297 0.000 -21.589) 21.711 2.844 ( -6.638 0.000 21.793) 22.782 2.844 ( 6.638 0.000 21.793) 22.782 3.036 ( -0.802 0.000 5.859) 5.914 3.036 ( 0.802 0.000 5.859) 5.914 3.401 ( -3.474 0.000 7.404) 8.179 3.401 ( 3.474 0.000 7.404) 8.179 3.725 ( -3.329 0.000 -4.212) 5.369 3.725 ( 3.329 0.000 -4.212) 5.369 3.881 ( -11.788 0.000 -8.999) 14.831 3.881 ( 11.788 0.000 -8.999) 14.831 4.117 ( -4.320 0.000 0.196) 4.324 4.117 ( 4.320 0.000 0.196) 4.324 4.364 ( -2.028 0.000 -0.510) 2.092 4.364 ( 2.028 0.000 -0.510) 2.092 4.746 ( -4.724 0.000 -1.488) 4.953 4.746 ( 4.724 0.000 -1.488) 4.953 4.789 ( -3.936 0.000 -3.227) 5.090 4.789 ( 3.936 0.000 -3.227) 5.090 5.049 ( -2.106 0.000 -0.855) 2.272 5.049 ( 2.106 0.000 -0.855) 2.272 5.157 ( -6.578 0.000 1.892) 6.845 5.157 ( 6.578 0.000 1.892) 6.845 5.382 ( -5.770 0.000 5.760) 8.153 5.382 ( 5.770 0.000 5.760) 8.153 5.387 ( -6.029 0.000 2.221) 6.425 5.387 ( 6.029 0.000 2.221) 6.425 5.768 ( -5.830 0.000 -5.114) 7.755 5.768 ( 5.830 0.000 -5.114) 7.755 5.822 ( -2.723 0.000 -1.004) 2.902 5.822 ( 2.723 0.000 -1.004) 2.902 6.040 ( -6.097 0.000 4.243) 7.428 6.040 ( 6.097 0.000 4.243) 7.428 6.047 ( -0.177 0.000 -0.565) 0.592 6.047 ( 0.177 0.000 -0.565) 0.592 6.264 ( -4.539 0.000 -1.452) 4.765 6.264 ( 4.539 0.000 -1.452) 4.765 6.778 ( -8.363 0.000 1.117) 8.437 6.778 ( 8.363 0.000 1.117) 8.437 7.152 ( -5.844 0.000 -6.762) 8.937 7.152 ( 5.844 0.000 -6.762) 8.937 7.217 ( -2.565 0.000 2.565) 3.628 7.217 ( 2.565 0.000 2.565) 3.628 7.261 ( -2.905 0.000 -0.722) 2.993 7.261 ( 2.905 0.000 -0.722) 2.993 7.409 ( -7.266 0.000 10.021) 12.378 7.409 ( 7.266 0.000 10.021) 12.378 8.008 ( -2.346 0.000 -2.888) 3.721 8.008 ( 2.346 0.000 -2.888) 3.721 8.155 ( -0.790 0.000 2.533) 2.654 8.155 ( 0.790 0.000 2.533) 2.654 8.330 ( -7.007 0.000 -0.463) 7.022 8.330 ( 7.007 0.000 -0.463) 7.022 8.428 ( -2.349 0.000 4.593) 5.159 8.428 ( 2.349 0.000 4.593) 5.159 8.737 ( -3.066 0.000 3.981) 5.025 8.737 ( 3.066 0.000 3.981) 5.025 9.192 ( -4.860 0.000 -2.320) 5.385 9.192 ( 4.860 0.000 -2.320) 5.385 9.253 ( -8.516 0.000 -18.642) 20.495 9.253 ( 8.516 0.000 -18.642) 20.495 9.429 ( -5.328 0.000 -0.874) 5.400 9.429 ( 5.328 0.000 -0.874) 5.400 10.382 ( -3.146 0.000 -1.260) 3.389 10.382 ( 3.146 0.000 -1.260) 3.389 10.753 ( -1.562 0.000 -1.802) 2.385 10.753 ( 1.562 0.000 -1.802) 2.385 11.772 ( -11.518 0.000 5.015) 12.562 11.772 ( 11.518 0.000 5.015) 12.562 11.911 ( -0.503 0.000 3.127) 3.167 11.911 ( 0.503 0.000 3.127) 3.167 12.071 ( -0.278 0.000 -4.850) 4.858 12.071 ( 0.278 0.000 -4.850) 4.858 12.074 ( -13.450 0.000 -6.559) 14.964 12.074 ( 13.450 0.000 -6.559) 14.964 12.647 ( -0.361 0.000 0.710) 0.796 12.647 ( 0.361 0.000 0.710) 0.796 12.945 ( -2.361 0.000 -1.471) 2.781 12.945 ( 2.361 0.000 -1.471) 2.781 13.617 ( -0.903 0.000 -2.731) 2.876 13.617 ( 0.903 0.000 -2.731) 2.876 14.233 ( -1.443 0.000 3.553) 3.835 14.233 ( 1.443 0.000 3.553) 3.835 14.270 ( -3.085 0.000 0.020) 3.085 14.270 ( 3.085 0.000 0.020) 3.085 14.725 ( -2.440 0.000 1.208) 2.723 14.725 ( 2.440 0.000 1.208) 2.723 14.941 ( -4.431 0.000 9.086) 10.109 14.941 ( 4.431 0.000 9.086) 10.109 15.300 ( -8.538 0.000 0.450) 8.550 15.300 ( 8.538 0.000 0.450) 8.550 15.478 ( -1.014 0.000 1.759) 2.030 15.478 ( 1.014 0.000 1.759) 2.030 15.604 ( -9.804 0.000 -4.655) 10.853 15.604 ( 9.804 0.000 -4.655) 10.853 15.785 ( -9.161 0.000 -5.770) 10.827 15.785 ( 9.161 0.000 -5.770) 10.827 17.451 ( -5.366 0.000 -1.425) 5.553 17.451 ( 5.366 0.000 -1.425) 5.553 18.160 ( -2.853 0.000 -3.035) 4.166 18.160 ( 2.853 0.000 -3.035) 4.166 18.243 ( -4.307 0.000 -3.143) 5.332 18.243 ( 4.307 0.000 -3.143) 5.332 24.555 ( -1.473 0.000 -0.240) 1.492 24.555 ( 1.473 0.000 -0.240) 1.492 24.701 ( -1.066 0.000 -4.061) 4.198 24.701 ( 1.066 0.000 -4.061) 4.198 26.517 ( -0.810 0.000 1.633) 1.823 26.517 ( 0.810 0.000 1.633) 1.823 26.677 ( -1.654 0.000 -0.393) 1.700 26.677 ( 1.654 0.000 -0.393) 1.700 28.214 ( -3.496 0.000 2.956) 4.578 28.214 ( 3.496 0.000 2.956) 4.578 28.279 ( -2.068 0.000 4.845) 5.268 28.279 ( 2.068 0.000 4.845) 5.268 28.367 ( -2.424 0.000 1.683) 2.951 28.367 ( 2.424 0.000 1.683) 2.951 28.444 ( -1.996 0.000 1.202) 2.330 28.444 ( 1.996 0.000 1.202) 2.330 28.724 ( -6.668 0.000 -1.446) 6.823 28.724 ( 6.668 0.000 -1.446) 6.823 29.298 ( -0.574 0.000 2.568) 2.631 29.298 ( 0.574 0.000 2.568) 2.631 29.598 ( -6.291 0.000 -9.840) 11.680 29.598 ( 6.291 0.000 -9.840) 11.680 29.971 ( -0.831 0.000 -0.469) 0.954 29.971 ( 0.831 0.000 -0.469) 0.954 30.399 ( -2.197 0.000 5.363) 5.796 30.399 ( 2.197 0.000 5.363) 5.796 30.936 ( -6.730 0.000 -1.628) 6.924 30.936 ( 6.730 0.000 -1.628) 6.924 ======================= Grid point 145 (52/72) ======================= q-point: ( 0.00 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 0.000 9.177 -11.964) 15.078 2.506 ( 0.000 14.609 -14.688) 20.717 2.777 ( 0.000 0.163 13.213) 13.214 3.038 ( 0.000 0.807 6.188) 6.240 3.091 ( 0.000 4.244 4.149) 5.935 3.194 ( 0.000 -4.831 -0.683) 4.879 3.270 ( 0.000 -4.999 8.251) 9.647 3.316 ( 0.000 2.370 18.282) 18.435 3.535 ( 0.000 4.577 9.280) 10.348 3.705 ( 0.000 -1.370 -4.949) 5.135 3.777 ( 0.000 -7.562 3.578) 8.366 3.926 ( 0.000 1.638 -6.329) 6.538 4.018 ( 0.000 -8.518 -12.837) 15.406 4.200 ( 0.000 12.135 -0.659) 12.152 4.282 ( 0.000 -3.971 6.345) 7.485 4.577 ( 0.000 1.756 -0.190) 1.766 4.655 ( 0.000 -4.320 -3.804) 5.756 4.706 ( 0.000 8.418 5.545) 10.080 4.792 ( 0.000 -6.898 -6.542) 9.506 4.946 ( 0.000 5.842 -8.753) 10.524 4.968 ( 0.000 6.586 -6.608) 9.330 5.079 ( 0.000 7.452 1.701) 7.644 5.080 ( 0.000 -0.422 -1.727) 1.778 5.119 ( 0.000 5.257 -2.238) 5.713 5.315 ( 0.000 3.799 3.144) 4.931 5.338 ( 0.000 -1.809 11.054) 11.201 5.525 ( 0.000 -0.543 0.483) 0.726 5.558 ( 0.000 -0.621 -5.904) 5.937 5.626 ( 0.000 -3.683 4.184) 5.574 5.742 ( 0.000 -3.687 1.694) 4.058 5.838 ( 0.000 -1.878 -2.874) 3.433 5.883 ( 0.000 -2.695 1.461) 3.065 6.081 ( 0.000 5.095 0.383) 5.110 6.108 ( 0.000 -0.477 -4.275) 4.301 6.139 ( 0.000 -0.035 -4.399) 4.399 6.189 ( 0.000 3.793 -3.640) 5.257 6.260 ( 0.000 2.466 8.196) 8.558 6.354 ( 0.000 3.305 -3.207) 4.605 6.655 ( 0.000 5.188 2.206) 5.637 6.858 ( 0.000 -4.372 -4.839) 6.522 7.025 ( 0.000 -0.653 -0.844) 1.067 7.056 ( 0.000 -7.701 -1.857) 7.921 7.155 ( 0.000 -2.417 1.659) 2.931 7.165 ( 0.000 -0.543 0.730) 0.909 7.302 ( 0.000 -1.899 0.876) 2.091 7.319 ( 0.000 1.619 5.331) 5.572 7.495 ( 0.000 0.539 -6.586) 6.608 7.516 ( 0.000 0.093 -0.635) 0.642 7.748 ( 0.000 -3.385 2.198) 4.036 7.850 ( 0.000 -4.434 7.142) 8.407 8.163 ( 0.000 -4.347 8.915) 9.918 8.212 ( 0.000 4.814 2.710) 5.525 8.289 ( 0.000 6.505 -0.155) 6.507 8.293 ( 0.000 -6.596 -0.589) 6.622 8.455 ( 0.000 7.895 3.151) 8.501 8.567 ( 0.000 3.781 3.609) 5.227 8.737 ( 0.000 2.967 7.813) 8.357 8.862 ( 0.000 -3.587 -3.638) 5.109 8.953 ( 0.000 -1.201 -9.351) 9.428 9.247 ( 0.000 2.799 0.409) 2.829 9.291 ( 0.000 -7.244 -9.203) 11.712 9.320 ( 0.000 2.110 3.520) 4.104 9.441 ( 0.000 -0.801 -14.412) 14.434 9.504 ( 0.000 -0.662 -6.156) 6.191 10.373 ( 0.000 3.053 0.690) 3.129 10.486 ( 0.000 0.015 -5.833) 5.833 10.696 ( 0.000 -1.466 -0.457) 1.535 10.728 ( 0.000 -3.315 -1.658) 3.706 11.480 ( 0.000 -11.200 -3.404) 11.706 11.491 ( 0.000 -9.596 -4.045) 10.413 11.945 ( 0.000 -1.856 0.459) 1.912 11.968 ( 0.000 -3.816 -1.139) 3.983 12.103 ( 0.000 3.113 3.166) 4.440 12.154 ( 0.000 7.966 -1.696) 8.145 12.160 ( 0.000 2.448 5.361) 5.893 12.409 ( 0.000 5.495 1.741) 5.764 12.429 ( 0.000 5.229 -2.200) 5.673 12.490 ( 0.000 -9.583 -6.293) 11.464 12.882 ( 0.000 -5.853 -0.291) 5.860 12.935 ( 0.000 -4.031 -2.466) 4.726 13.663 ( 0.000 5.001 -1.978) 5.378 13.690 ( 0.000 4.587 -2.856) 5.403 14.224 ( 0.000 0.817 6.591) 6.642 14.246 ( 0.000 1.880 3.163) 3.680 14.315 ( 0.000 1.607 2.282) 2.791 14.342 ( 0.000 0.808 -2.258) 2.398 14.583 ( 0.000 -6.856 4.783) 8.360 14.673 ( 0.000 -7.548 1.390) 7.675 14.845 ( 0.000 2.375 8.433) 8.761 15.078 ( 0.000 3.550 6.095) 7.053 15.128 ( 0.000 1.666 2.993) 3.425 15.283 ( 0.000 -2.641 -3.836) 4.657 15.352 ( 0.000 -4.409 5.034) 6.692 15.511 ( 0.000 1.098 -1.210) 1.634 15.529 ( 0.000 -1.101 -2.197) 2.458 15.797 ( 0.000 -3.235 -6.832) 7.560 15.928 ( 0.000 21.759 -1.326) 21.799 16.175 ( 0.000 13.415 -14.552) 19.792 17.256 ( 0.000 -5.080 4.309) 6.661 17.459 ( 0.000 -9.617 -4.580) 10.651 18.071 ( 0.000 0.259 1.281) 1.307 18.143 ( 0.000 1.090 -0.331) 1.139 18.270 ( 0.000 0.232 -6.192) 6.196 18.282 ( 0.000 -1.344 -6.271) 6.414 24.495 ( 0.000 0.582 1.034) 1.187 24.547 ( 0.000 -0.287 -1.155) 1.191 24.699 ( 0.000 -1.302 -2.230) 2.583 24.737 ( 0.000 -1.968 -5.019) 5.391 26.496 ( 0.000 -0.304 1.773) 1.799 26.539 ( 0.000 -0.242 0.041) 0.246 26.622 ( 0.000 -1.016 1.760) 2.032 26.684 ( 0.000 -2.656 -1.248) 2.934 28.117 ( 0.000 0.875 5.120) 5.194 28.219 ( 0.000 -0.868 0.200) 0.891 28.294 ( 0.000 3.019 2.642) 4.012 28.346 ( 0.000 2.979 0.977) 3.135 28.403 ( 0.000 3.556 3.602) 5.062 28.429 ( 0.000 1.238 6.945) 7.055 28.453 ( 0.000 -1.117 -0.509) 1.228 28.615 ( 0.000 5.738 -0.363) 5.749 28.625 ( 0.000 8.815 3.813) 9.604 28.873 ( 0.000 -0.676 -9.122) 9.147 29.249 ( 0.000 -1.427 2.854) 3.191 29.297 ( 0.000 -0.221 0.986) 1.010 29.480 ( 0.000 4.796 0.584) 4.831 29.769 ( 0.000 3.636 -13.389) 13.874 29.960 ( 0.000 0.432 0.635) 0.768 29.990 ( 0.000 0.514 -0.441) 0.677 30.356 ( 0.000 -2.803 5.097) 5.817 30.530 ( 0.000 -5.170 -3.256) 6.110 30.564 ( 0.000 -8.544 10.977) 13.910 30.942 ( 0.000 -11.208 -8.004) 13.772 ======================= Grid point 146 (53/72) ======================= q-point: ( 0.25 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( 1.211 9.184 -10.889) 14.297 2.456 ( -4.294 11.221 -10.601) 16.023 2.784 ( 1.072 2.637 10.050) 10.445 2.991 ( -10.937 1.415 5.955) 12.533 3.068 ( 2.659 3.059 7.595) 8.608 3.116 ( 1.065 2.974 5.096) 5.996 3.302 ( 3.791 -3.996 16.513) 17.408 3.482 ( -1.438 1.147 4.110) 4.503 3.559 ( 9.637 -1.215 5.885) 11.357 3.688 ( -3.308 -2.741 -4.019) 5.883 3.747 ( 2.780 -3.472 0.874) 4.533 3.970 ( 2.336 -2.119 -3.672) 4.840 3.997 ( -0.878 -8.581 -11.687) 14.525 4.162 ( -4.582 12.135 -3.200) 13.360 4.378 ( 9.186 -3.044 3.223) 10.200 4.530 ( -4.658 2.017 0.851) 5.146 4.636 ( -6.410 1.933 -1.919) 6.965 4.707 ( 4.536 -1.204 -7.384) 8.750 4.823 ( -5.470 2.806 -2.542) 6.653 4.841 ( 3.431 -1.494 0.789) 3.824 4.992 ( 0.724 4.352 -3.194) 5.446 5.092 ( -0.859 5.583 -0.300) 5.657 5.154 ( 5.404 -0.375 -1.916) 5.746 5.199 ( 6.226 6.337 -0.436) 8.895 5.298 ( -1.936 -2.569 6.543) 7.291 5.336 ( 0.525 2.539 4.082) 4.836 5.468 ( -3.943 -3.046 -2.566) 5.604 5.525 ( -2.085 1.277 0.440) 2.484 5.685 ( 3.850 -0.486 0.308) 3.892 5.776 ( 2.241 -3.127 -0.766) 3.922 5.816 ( -0.081 1.484 -1.120) 1.861 5.892 ( -0.053 0.171 -1.705) 1.715 6.037 ( -4.070 6.186 3.444) 8.167 6.106 ( -4.484 0.729 -1.720) 4.857 6.113 ( -1.173 0.329 -0.845) 1.483 6.186 ( 0.788 2.753 -1.794) 3.379 6.208 ( -3.774 2.361 -0.988) 4.560 6.318 ( -1.344 2.648 -1.960) 3.558 6.655 ( 1.077 -0.992 2.009) 2.486 6.881 ( -4.141 -8.137 -3.261) 9.695 6.975 ( 0.162 -0.513 -0.770) 0.940 7.060 ( 0.450 -5.663 -2.489) 6.202 7.195 ( 3.964 -1.452 3.637) 5.572 7.205 ( 3.677 -0.442 1.056) 3.851 7.287 ( -1.393 -1.506 2.264) 3.056 7.310 ( -0.588 2.538 3.247) 4.163 7.418 ( -4.085 2.388 -1.032) 4.843 7.506 ( -4.124 -2.339 1.883) 5.101 7.844 ( 7.954 -3.387 0.026) 8.645 7.896 ( 4.331 -4.500 2.838) 6.860 8.168 ( 0.615 -4.800 7.078) 8.574 8.221 ( 0.558 3.830 2.693) 4.715 8.262 ( -1.211 1.903 -0.326) 2.279 8.316 ( 0.204 -0.215 -0.933) 0.979 8.473 ( 1.794 6.516 2.272) 7.130 8.552 ( -1.697 4.267 2.646) 5.300 8.735 ( 0.067 2.581 6.615) 7.101 8.797 ( -3.927 -1.407 0.214) 4.177 9.049 ( 6.905 -3.122 -11.707) 13.946 9.213 ( -3.868 0.334 -1.689) 4.234 9.247 ( -1.832 -1.591 -7.551) 7.931 9.347 ( 3.248 0.501 0.259) 3.297 9.398 ( -5.037 0.394 -12.533) 13.512 9.496 ( -1.677 -0.784 -4.568) 4.929 10.376 ( 0.540 2.859 0.559) 2.963 10.455 ( -2.896 0.684 -4.015) 4.998 10.708 ( 1.285 -1.608 -0.479) 2.113 10.740 ( 0.445 -2.836 -1.999) 3.498 11.497 ( 4.794 -8.842 0.562) 10.074 11.611 ( 9.892 -11.206 -4.818) 15.704 11.854 ( -8.928 -5.468 4.052) 11.226 11.986 ( -6.194 -2.796 0.849) 6.849 12.044 ( 2.729 -0.407 -0.705) 2.848 12.095 ( -2.370 4.503 -1.671) 5.356 12.180 ( -0.646 8.099 -1.374) 8.240 12.275 ( -8.543 0.444 -4.144) 9.506 12.568 ( 10.196 2.998 0.432) 10.636 12.596 ( 6.947 0.456 -1.176) 7.061 12.863 ( -1.567 -6.211 -0.110) 6.406 12.929 ( -1.665 -4.736 -2.660) 5.681 13.665 ( 0.428 4.908 -1.317) 5.100 13.693 ( -0.084 5.846 -2.366) 6.307 14.211 ( -0.730 -0.943 5.076) 5.214 14.240 ( -0.702 1.074 3.843) 4.052 14.288 ( -1.892 1.248 1.840) 2.919 14.320 ( -2.183 0.141 -1.486) 2.645 14.611 ( 2.402 -5.701 3.434) 7.075 14.670 ( -0.420 -7.108 1.264) 7.232 14.896 ( 4.355 3.087 7.955) 9.580 15.047 ( -2.945 3.427 7.018) 8.347 15.163 ( 3.363 1.320 1.785) 4.029 15.273 ( -1.465 -2.307 -2.380) 3.624 15.398 ( 4.933 -3.238 4.762) 7.583 15.516 ( 3.056 -2.471 -2.771) 4.809 15.582 ( 1.797 -0.745 -1.515) 2.466 15.743 ( -5.229 -1.774 -5.391) 7.717 15.907 ( -0.961 21.745 -2.348) 21.893 16.101 ( -7.232 14.801 -11.951) 20.352 17.292 ( 3.542 -5.995 2.191) 7.300 17.434 ( -2.654 -9.140 -3.898) 10.285 18.113 ( 3.774 0.424 -0.675) 3.857 18.159 ( 1.987 0.564 -0.647) 2.164 18.232 ( -2.604 0.341 -5.201) 5.827 18.284 ( -1.190 -1.121 -5.500) 5.738 24.518 ( 2.204 0.434 0.498) 2.301 24.556 ( 0.764 -0.180 -0.981) 1.256 24.688 ( -0.987 -1.408 -2.560) 3.084 24.716 ( -2.063 -1.898 -4.619) 5.403 26.502 ( 0.604 -0.148 1.681) 1.792 26.532 ( -0.700 -0.037 0.592) 0.918 26.632 ( 0.994 -1.417 1.047) 2.023 26.675 ( -0.878 -2.508 -0.947) 2.821 28.151 ( 3.486 0.949 4.663) 5.899 28.235 ( 1.401 -0.263 0.716) 1.595 28.296 ( -0.068 2.796 2.786) 3.948 28.341 ( -0.973 1.518 1.249) 2.194 28.376 ( -2.393 0.735 4.486) 5.137 28.387 ( -1.371 3.998 3.619) 5.564 28.488 ( 1.062 1.109 0.740) 1.705 28.559 ( -3.645 5.400 0.169) 6.517 28.677 ( 3.961 6.847 2.768) 8.380 28.846 ( -3.093 1.448 -5.656) 6.607 29.253 ( 0.560 -2.446 2.561) 3.585 29.286 ( -0.682 -1.211 1.490) 2.038 29.541 ( 5.454 5.103 -2.825) 7.986 29.735 ( -3.572 3.861 -11.860) 12.974 29.965 ( 0.501 0.519 0.233) 0.758 29.991 ( -0.176 0.765 -0.855) 1.160 30.351 ( -0.282 -2.915 4.978) 5.775 30.421 ( -5.254 -4.893 4.183) 8.309 30.696 ( 7.870 -8.796 2.363) 12.037 30.913 ( -3.191 -10.916 -6.081) 12.897 ======================= Grid point 147 (54/72) ======================= q-point: (-0.50 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( -2.998 9.149 -8.998) 13.178 2.385 ( 2.998 9.149 -8.998) 13.178 2.838 ( -5.427 2.863 9.029) 10.917 2.838 ( 5.427 2.863 9.029) 10.917 3.114 ( -1.711 5.009 6.125) 8.095 3.114 ( 1.711 5.009 6.125) 8.095 3.394 ( -5.913 -0.478 11.628) 13.054 3.394 ( 5.913 -0.478 11.628) 13.054 3.642 ( -1.389 -5.862 1.950) 6.332 3.642 ( 1.389 -5.862 1.950) 6.332 3.911 ( -8.996 -5.740 -11.133) 15.421 3.911 ( 8.996 -5.740 -11.133) 15.421 4.050 ( -6.288 3.907 -3.131) 8.038 4.050 ( 6.288 3.907 -3.131) 8.038 4.476 ( -1.715 7.099 0.751) 7.341 4.476 ( 1.715 7.099 0.751) 7.341 4.646 ( -7.984 -5.099 -1.995) 9.681 4.646 ( 7.984 -5.099 -1.995) 9.681 4.835 ( -3.839 0.882 -1.739) 4.306 4.835 ( 3.839 0.882 -1.739) 4.306 5.054 ( -3.982 3.062 -4.240) 6.573 5.054 ( 3.982 3.062 -4.240) 6.573 5.219 ( -1.795 -3.463 7.728) 8.656 5.219 ( 1.795 -3.463 7.728) 8.656 5.314 ( -2.859 2.313 -0.465) 3.707 5.314 ( 2.859 2.313 -0.465) 3.707 5.477 ( -3.524 3.211 -0.605) 4.806 5.477 ( 3.524 3.211 -0.605) 4.806 5.758 ( -5.021 0.970 -2.423) 5.659 5.758 ( 5.021 0.970 -2.423) 5.659 5.849 ( -1.534 2.962 -1.156) 3.530 5.849 ( 1.534 2.962 -1.156) 3.530 6.029 ( -1.956 1.491 0.384) 2.489 6.029 ( 1.956 1.491 0.384) 2.489 6.107 ( -3.523 3.264 0.600) 4.840 6.107 ( 3.523 3.264 0.600) 4.840 6.273 ( -4.891 0.668 -1.165) 5.072 6.273 ( 4.891 0.668 -1.165) 5.072 6.736 ( -7.813 -4.488 -0.612) 9.032 6.736 ( 7.813 -4.488 -0.612) 9.032 7.030 ( -3.428 -6.287 -1.302) 7.278 7.030 ( 3.428 -6.287 -1.302) 7.278 7.257 ( -2.215 -1.208 1.786) 3.092 7.257 ( 2.215 -1.208 1.786) 3.092 7.288 ( -3.195 2.052 0.848) 3.891 7.288 ( 3.195 2.052 0.848) 3.891 7.405 ( -4.278 0.272 5.439) 6.925 7.405 ( 4.278 0.272 5.439) 6.925 7.943 ( -1.204 -4.006 -0.492) 4.212 7.943 ( 1.204 -4.006 -0.492) 4.212 8.198 ( -2.578 -4.801 3.261) 6.351 8.198 ( 2.578 -4.801 3.261) 6.351 8.280 ( -2.973 4.795 0.233) 5.646 8.280 ( 2.973 4.795 0.233) 5.646 8.513 ( -2.315 5.112 1.023) 5.704 8.513 ( 2.315 5.112 1.023) 5.704 8.747 ( -1.470 1.094 4.584) 4.937 8.747 ( 1.470 1.094 4.584) 4.937 9.150 ( -4.166 -3.474 -8.365) 9.970 9.150 ( 4.166 -3.474 -8.365) 9.970 9.277 ( -6.314 1.958 -10.364) 12.293 9.277 ( 6.314 1.958 -10.364) 12.293 9.432 ( -4.806 0.145 -1.186) 4.952 9.432 ( 4.806 0.145 -1.186) 4.952 10.402 ( -2.379 1.990 -0.976) 3.251 10.402 ( 2.379 1.990 -0.976) 3.251 10.733 ( -1.107 -2.008 -1.330) 2.650 10.733 ( 1.107 -2.008 -1.330) 2.650 11.651 ( -11.155 -8.050 4.259) 14.400 11.651 ( 11.155 -8.050 4.259) 14.400 11.817 ( -11.248 -8.456 -2.032) 14.218 11.817 ( 11.248 -8.456 -2.032) 14.218 12.095 ( -0.172 3.223 -4.840) 5.817 12.095 ( 0.172 3.223 -4.840) 5.817 12.163 ( -1.353 4.135 -1.440) 4.583 12.163 ( 1.353 4.135 -1.440) 4.583 12.684 ( -0.908 2.978 0.311) 3.129 12.684 ( 0.908 2.978 0.311) 3.129 12.866 ( -3.513 -6.112 -1.588) 7.226 12.866 ( 3.513 -6.112 -1.588) 7.226 13.681 ( -1.067 5.934 -1.248) 6.157 13.681 ( 1.067 5.934 -1.248) 6.157 14.218 ( -1.370 -1.661 3.721) 4.299 14.218 ( 1.370 -1.661 3.721) 4.299 14.281 ( -1.350 0.793 0.458) 1.631 14.281 ( 1.350 0.793 0.458) 1.631 14.651 ( -1.690 -5.643 1.716) 6.135 14.651 ( 1.690 -5.643 1.716) 6.135 14.978 ( -4.344 3.534 7.519) 9.375 14.978 ( 4.344 3.534 7.519) 9.375 15.229 ( -3.237 -0.919 0.096) 3.366 15.229 ( 3.237 -0.919 0.096) 3.366 15.514 ( -6.403 -2.816 2.179) 7.327 15.514 ( 6.403 -2.816 2.179) 7.327 15.631 ( -6.567 -1.179 -4.364) 7.972 15.631 ( 6.567 -1.179 -4.364) 7.972 15.959 ( -6.667 18.818 -6.607) 21.029 15.959 ( 6.667 18.818 -6.607) 21.029 17.368 ( -4.258 -7.779 -1.512) 8.996 17.368 ( 4.258 -7.779 -1.512) 8.996 18.171 ( -2.380 0.866 -3.112) 4.013 18.171 ( 2.380 0.866 -3.112) 4.013 18.234 ( -3.672 -0.774 -3.133) 4.888 18.234 ( 3.672 -0.774 -3.133) 4.888 24.557 ( -1.282 0.164 -0.365) 1.343 24.557 ( 1.282 0.164 -0.365) 1.343 24.682 ( -0.899 -1.727 -3.613) 4.104 24.682 ( 0.899 -1.727 -3.613) 4.104 26.516 ( -0.878 0.066 1.325) 1.591 26.516 ( 0.878 0.066 1.325) 1.591 26.654 ( -1.293 -2.067 -0.115) 2.440 26.654 ( 1.293 -2.067 -0.115) 2.440 28.224 ( -3.468 1.274 3.215) 4.898 28.224 ( 3.468 1.274 3.215) 4.898 28.305 ( -2.051 0.462 2.127) 2.991 28.305 ( 2.051 0.462 2.127) 2.991 28.367 ( -0.805 2.843 3.671) 4.712 28.367 ( 0.805 2.843 3.671) 4.712 28.505 ( -1.715 3.782 -0.136) 4.155 28.505 ( 1.715 3.782 -0.136) 4.155 28.765 ( -5.165 4.224 -0.007) 6.673 28.765 ( 5.165 4.224 -0.007) 6.673 29.270 ( -1.087 -2.560 1.833) 3.330 29.270 ( 1.087 -2.560 1.833) 3.330 29.648 ( -5.638 4.700 -8.025) 10.875 29.648 ( 5.638 4.700 -8.025) 10.875 29.979 ( -0.940 0.724 -0.662) 1.359 29.979 ( 0.940 0.724 -0.662) 1.359 30.359 ( -1.569 -3.540 4.882) 6.231 30.359 ( 1.569 -3.540 4.882) 6.231 30.827 ( -6.089 -10.086 -1.846) 11.925 30.827 ( 6.089 -10.086 -1.846) 11.925 ======================= Grid point 150 (55/72) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( 0.000 8.134 5.205) 9.657 2.718 ( 0.000 2.284 18.009) 18.153 2.843 ( 0.000 6.399 7.750) 10.051 3.064 ( 0.000 -4.605 -0.809) 4.675 3.096 ( 0.000 -3.322 13.730) 14.126 3.187 ( 0.000 -4.213 5.437) 6.879 3.201 ( 0.000 14.059 -10.674) 17.651 3.449 ( 0.000 8.198 2.748) 8.646 3.594 ( 0.000 -1.028 11.996) 12.040 3.605 ( 0.000 -4.397 6.051) 7.480 3.711 ( 0.000 -1.113 3.160) 3.350 3.862 ( 0.000 -3.890 -12.471) 13.064 3.985 ( 0.000 3.471 -12.194) 12.679 4.150 ( 0.000 -4.201 -3.768) 5.643 4.460 ( 0.000 4.047 -12.577) 13.212 4.474 ( 0.000 -8.143 7.820) 11.290 4.673 ( 0.000 0.365 1.785) 1.822 4.704 ( 0.000 6.352 -5.248) 8.240 4.850 ( 0.000 5.903 4.643) 7.510 5.025 ( 0.000 -1.430 2.624) 2.988 5.086 ( 0.000 4.769 -2.535) 5.401 5.120 ( 0.000 1.810 -13.515) 13.636 5.179 ( 0.000 0.615 4.797) 4.836 5.184 ( 0.000 0.163 2.512) 2.518 5.371 ( 0.000 -0.485 -0.015) 0.485 5.381 ( 0.000 7.143 1.728) 7.349 5.489 ( 0.000 0.603 -0.364) 0.704 5.508 ( 0.000 -3.673 -0.505) 3.707 5.646 ( 0.000 3.658 -5.124) 6.296 5.674 ( 0.000 -1.664 -3.457) 3.837 5.846 ( 0.000 2.890 -2.070) 3.555 5.880 ( 0.000 4.001 -0.439) 4.025 6.100 ( 0.000 -0.542 -4.762) 4.793 6.119 ( 0.000 -1.028 -6.435) 6.517 6.194 ( 0.000 2.909 -1.837) 3.441 6.245 ( 0.000 0.190 -5.011) 5.014 6.311 ( 0.000 4.019 7.295) 8.329 6.417 ( 0.000 2.266 -1.624) 2.788 6.690 ( 0.000 -8.962 0.381) 8.971 6.710 ( 0.000 -1.300 -0.120) 1.305 6.940 ( 0.000 -4.235 -0.285) 4.244 6.992 ( 0.000 -4.751 -1.293) 4.924 7.125 ( 0.000 0.351 -1.348) 1.393 7.136 ( 0.000 0.256 -1.664) 1.683 7.285 ( 0.000 0.657 1.307) 1.462 7.332 ( 0.000 -0.261 6.655) 6.660 7.513 ( 0.000 1.150 -5.139) 5.266 7.536 ( 0.000 1.203 -1.903) 2.252 7.688 ( 0.000 -1.763 6.884) 7.106 7.762 ( 0.000 -3.988 9.406) 10.217 8.064 ( 0.000 -4.278 9.801) 10.694 8.104 ( 0.000 -7.208 3.817) 8.157 8.393 ( 0.000 8.436 0.324) 8.442 8.422 ( 0.000 6.085 -0.912) 6.153 8.597 ( 0.000 -0.866 4.116) 4.206 8.617 ( 0.000 4.295 -2.090) 4.777 8.785 ( 0.000 1.075 -2.776) 2.977 8.823 ( 0.000 2.763 4.565) 5.336 8.917 ( 0.000 -2.326 -8.029) 8.360 9.117 ( 0.000 -9.067 -6.810) 11.339 9.308 ( 0.000 2.820 -1.205) 3.067 9.378 ( 0.000 3.336 2.193) 3.992 9.404 ( 0.000 -2.231 -8.350) 8.643 9.490 ( 0.000 -1.191 -3.747) 3.932 10.457 ( 0.000 4.906 0.091) 4.907 10.500 ( 0.000 1.606 -2.910) 3.323 10.645 ( 0.000 -4.447 -0.040) 4.447 10.648 ( 0.000 -3.290 -0.371) 3.310 11.291 ( 0.000 -6.464 -2.203) 6.829 11.314 ( 0.000 -6.847 -3.422) 7.654 11.886 ( 0.000 -3.069 -1.894) 3.607 11.901 ( 0.000 -2.187 -1.305) 2.547 12.064 ( 0.000 -1.577 6.394) 6.586 12.244 ( 0.000 -11.454 -3.010) 11.843 12.272 ( 0.000 3.715 -0.498) 3.749 12.273 ( 0.000 4.037 -0.629) 4.085 12.526 ( 0.000 4.120 -2.102) 4.625 12.548 ( 0.000 3.484 -4.012) 5.313 12.830 ( 0.000 1.052 -0.986) 1.442 12.876 ( 0.000 -0.924 -2.818) 2.965 13.742 ( 0.000 2.496 1.353) 2.839 13.764 ( 0.000 1.944 0.961) 2.168 14.250 ( 0.000 1.397 6.625) 6.771 14.285 ( 0.000 0.831 2.707) 2.832 14.346 ( 0.000 1.439 4.292) 4.526 14.353 ( 0.000 0.454 0.046) 0.456 14.488 ( 0.000 -2.141 3.190) 3.842 14.529 ( 0.000 -5.149 0.922) 5.231 14.923 ( 0.000 5.274 3.546) 6.356 15.160 ( 0.000 2.385 -3.274) 4.051 15.173 ( 0.000 2.314 4.291) 4.875 15.235 ( 0.000 -3.335 8.713) 9.330 15.267 ( 0.000 -1.537 1.078) 1.878 15.446 ( 0.000 -5.553 -1.954) 5.886 15.535 ( 0.000 2.021 -4.811) 5.218 15.727 ( 0.000 -4.658 -7.669) 8.973 16.391 ( 0.000 22.316 -2.682) 22.477 16.509 ( 0.000 17.293 -9.785) 19.869 17.105 ( 0.000 -9.527 0.889) 9.568 17.201 ( 0.000 -15.056 -2.899) 15.333 18.079 ( 0.000 0.589 0.243) 0.637 18.135 ( 0.000 -1.677 -0.824) 1.869 18.271 ( 0.000 0.251 -5.809) 5.814 18.275 ( 0.000 0.242 -5.811) 5.816 24.512 ( 0.000 0.993 0.224) 1.018 24.541 ( 0.000 -0.329 -0.946) 1.002 24.669 ( 0.000 -1.303 -2.118) 2.487 24.690 ( 0.000 -2.267 -3.630) 4.279 26.497 ( 0.000 0.481 1.187) 1.281 26.532 ( 0.000 -0.440 -0.206) 0.486 26.599 ( 0.000 -1.046 1.102) 1.519 26.623 ( 0.000 -2.780 -0.139) 2.783 28.144 ( 0.000 1.608 3.858) 4.180 28.201 ( 0.000 -0.967 1.006) 1.396 28.355 ( 0.000 2.672 1.358) 2.997 28.406 ( 0.000 1.463 -0.880) 1.708 28.450 ( 0.000 1.468 2.953) 3.298 28.460 ( 0.000 2.583 3.532) 4.376 28.521 ( 0.000 5.728 4.314) 7.171 28.692 ( 0.000 0.212 -2.245) 2.255 28.812 ( 0.000 8.352 1.925) 8.570 28.882 ( 0.000 2.265 -2.180) 3.144 29.221 ( 0.000 -0.994 2.800) 2.971 29.276 ( 0.000 -1.932 0.260) 1.949 29.620 ( 0.000 8.676 2.522) 9.035 29.869 ( 0.000 4.031 -6.843) 7.942 29.983 ( 0.000 3.189 -1.766) 3.646 30.009 ( 0.000 1.484 -0.396) 1.536 30.256 ( 0.000 -8.537 3.860) 9.369 30.386 ( 0.000 -8.629 -3.249) 9.220 30.387 ( 0.000 -4.603 5.249) 6.982 30.655 ( 0.000 -14.960 -6.691) 16.388 ======================= Grid point 151 (56/72) ======================= q-point: ( 0.25 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 0.722 8.062 7.315) 10.910 2.633 ( -5.427 7.072 11.925) 14.889 2.893 ( 1.674 0.708 6.686) 6.929 2.995 ( -5.085 -1.426 -0.518) 5.306 3.140 ( 5.008 0.201 11.628) 12.663 3.214 ( 2.850 3.030 -7.351) 8.446 3.234 ( 3.162 4.357 7.271) 9.048 3.496 ( 1.698 2.894 4.776) 5.837 3.532 ( -6.366 -4.188 15.651) 17.407 3.623 ( -2.791 0.857 9.725) 10.154 3.692 ( 4.838 -1.663 -3.713) 6.321 3.842 ( -1.516 -3.764 -12.427) 13.073 4.047 ( 6.043 5.699 -9.150) 12.358 4.286 ( 12.646 -4.619 -3.914) 14.020 4.381 ( -8.198 6.918 -5.236) 11.937 4.495 ( 2.117 -2.077 2.263) 3.730 4.609 ( -2.057 -4.268 -3.866) 6.115 4.766 ( -1.155 -1.815 1.815) 2.815 4.810 ( -2.131 6.302 -9.651) 11.721 4.924 ( -7.136 4.407 -5.932) 10.273 5.073 ( -1.794 -3.205 3.680) 5.199 5.112 ( 1.369 2.556 -1.764) 3.394 5.193 ( 0.997 3.535 7.429) 8.288 5.234 ( -6.246 -2.868 1.224) 6.981 5.276 ( 3.053 1.416 -0.365) 3.385 5.378 ( -3.903 -2.713 -2.701) 5.467 5.457 ( -1.208 1.234 -1.229) 2.120 5.496 ( -0.693 -1.121 -4.465) 4.656 5.720 ( 7.245 4.037 -1.468) 8.422 5.779 ( 7.901 3.621 -4.930) 9.992 5.887 ( 3.821 4.454 -1.646) 6.095 5.951 ( 7.155 6.503 -0.388) 9.677 6.099 ( 2.044 -0.661 -2.257) 3.116 6.133 ( -3.798 1.344 -3.760) 5.511 6.198 ( -5.651 8.065 -0.306) 9.853 6.230 ( -3.128 0.354 1.560) 3.513 6.240 ( 2.992 0.108 -3.492) 4.600 6.370 ( -4.787 2.318 -3.601) 6.423 6.588 ( -7.423 -6.815 1.056) 10.132 6.683 ( -2.803 -8.151 -2.116) 8.876 6.918 ( -0.577 -2.631 1.860) 3.273 7.038 ( -0.394 0.064 -2.540) 2.571 7.125 ( 1.060 -5.240 3.221) 6.242 7.159 ( 2.508 -2.127 2.909) 4.390 7.282 ( 0.222 1.228 1.538) 1.980 7.337 ( 1.160 -0.086 3.327) 3.524 7.452 ( -4.438 0.751 -1.880) 4.878 7.470 ( -5.647 -0.931 1.147) 5.837 7.785 ( 7.903 -1.652 3.906) 8.969 7.828 ( 5.441 -2.155 6.250) 8.562 8.058 ( -0.915 -4.814 8.145) 9.506 8.100 ( -1.538 -7.283 3.446) 8.203 8.403 ( 1.021 8.113 0.468) 8.191 8.425 ( 0.416 5.928 -0.766) 5.992 8.574 ( -1.113 0.628 3.299) 3.538 8.615 ( -1.314 1.115 -1.400) 2.220 8.784 ( 0.621 3.474 -1.138) 3.708 8.816 ( -0.391 4.254 3.309) 5.404 8.976 ( 5.002 -3.903 -9.792) 11.668 9.102 ( -1.512 -7.337 -7.603) 10.673 9.302 ( -0.667 3.535 -2.107) 4.169 9.370 ( 1.742 1.116 0.254) 2.084 9.399 ( -2.586 0.115 -5.658) 6.222 9.472 ( -1.686 -1.574 -2.739) 3.580 10.456 ( 0.068 4.711 0.086) 4.712 10.488 ( -1.124 2.812 -2.049) 3.656 10.652 ( 1.014 -3.981 -0.015) 4.108 10.665 ( 0.928 -4.141 -0.883) 4.335 11.342 ( 6.295 -5.209 -0.377) 8.179 11.408 ( 9.287 -7.974 -3.594) 12.758 11.763 ( -12.379 -2.478 2.068) 12.793 11.890 ( -10.506 -6.249 -3.095) 12.610 12.021 ( 4.815 -1.107 0.299) 4.950 12.067 ( -0.787 -3.897 -1.539) 4.263 12.319 ( -3.077 5.991 -1.415) 6.882 12.369 ( -7.382 5.722 -3.981) 10.153 12.567 ( 10.639 -3.365 -0.066) 11.158 12.591 ( 7.222 -1.881 -1.995) 7.725 12.816 ( -2.037 1.628 -0.596) 2.675 12.869 ( -2.241 -0.557 -2.558) 3.446 13.769 ( 3.382 4.896 2.700) 6.535 13.817 ( 3.872 4.772 0.554) 6.170 14.178 ( -5.227 -2.038 6.853) 8.857 14.233 ( -4.937 -2.437 3.508) 6.528 14.321 ( -1.200 3.249 1.132) 3.644 14.350 ( -1.680 2.927 0.563) 3.422 14.518 ( 2.229 -3.657 2.992) 5.224 14.534 ( 0.703 -5.416 1.781) 5.745 14.984 ( 5.375 5.563 3.423) 8.459 15.141 ( -1.877 5.245 3.472) 6.564 15.218 ( 2.918 3.422 1.869) 4.870 15.274 ( 3.086 0.263 0.095) 3.099 15.304 ( 4.732 -5.233 3.116) 7.713 15.417 ( -0.795 -5.736 -0.324) 5.800 15.535 ( -1.303 -1.758 -3.962) 4.526 15.677 ( -5.362 -5.049 -7.021) 10.175 16.378 ( -0.464 22.705 -3.062) 22.916 16.474 ( -3.499 19.231 -8.397) 21.273 17.115 ( 1.137 -11.166 -0.229) 11.226 17.185 ( -1.656 -14.651 -3.008) 15.048 18.120 ( 3.941 0.329 -1.024) 4.085 18.155 ( 2.025 -1.028 -1.375) 2.655 18.244 ( -2.219 0.747 -4.763) 5.308 18.266 ( -1.655 -0.524 -5.317) 5.593 24.532 ( 1.957 0.892 -0.190) 2.159 24.554 ( 1.231 -0.070 -0.989) 1.581 24.655 ( -1.423 -1.548 -2.173) 3.024 24.670 ( -1.984 -2.246 -3.299) 4.457 26.506 ( 0.927 0.648 1.109) 1.584 26.533 ( -0.045 0.181 0.090) 0.207 26.598 ( -0.024 -1.736 0.843) 1.930 26.616 ( -0.630 -2.772 -0.067) 2.843 28.180 ( 3.698 1.626 3.670) 5.458 28.228 ( 2.730 -0.534 1.233) 3.042 28.343 ( -1.609 1.749 1.531) 2.827 28.364 ( -4.075 0.901 1.425) 4.410 28.437 ( 0.455 4.004 3.483) 5.326 28.486 ( 0.228 3.657 0.732) 3.737 28.518 ( 0.395 2.653 3.211) 4.184 28.633 ( -4.650 0.902 -1.736) 5.045 28.843 ( 2.537 8.214 2.404) 8.927 28.908 ( 1.436 4.538 -1.160) 4.899 29.192 ( -2.020 -3.068 2.828) 4.635 29.242 ( -2.774 -3.175 0.694) 4.273 29.682 ( 5.550 8.486 -0.110) 10.140 29.847 ( -2.253 6.113 -6.626) 9.292 29.978 ( 0.090 0.781 0.038) 0.787 30.018 ( -0.169 2.150 -2.017) 2.953 30.256 ( 0.426 -6.938 3.948) 7.995 30.323 ( -2.688 -2.543 1.743) 4.090 30.473 ( 4.986 -11.487 -0.242) 12.524 30.631 ( -2.628 -14.891 -5.449) 16.073 ======================= Grid point 152 (57/72) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( -2.760 8.488 9.444) 12.994 2.557 ( 2.760 8.488 9.444) 12.994 2.922 ( -2.636 -0.627 1.497) 3.095 2.922 ( 2.636 -0.627 1.497) 3.095 3.220 ( -2.521 5.514 -1.600) 6.270 3.220 ( 2.521 5.514 -1.600) 6.270 3.362 ( -9.709 -3.472 15.306) 18.456 3.362 ( 9.709 -3.472 15.306) 18.456 3.548 ( -3.668 1.005 9.582) 10.309 3.548 ( 3.668 1.005 9.582) 10.309 3.800 ( -3.996 -3.471 -8.328) 9.867 3.800 ( 3.996 -3.471 -8.328) 9.867 4.198 ( -10.146 8.348 -4.733) 13.965 4.198 ( 10.146 8.348 -4.733) 13.965 4.521 ( -8.177 -4.584 3.759) 10.100 4.521 ( 8.177 -4.584 3.759) 10.100 4.603 ( -12.576 1.808 -12.675) 17.946 4.603 ( 12.576 1.808 -12.675) 17.946 4.838 ( -6.895 -1.693 -5.488) 8.973 4.838 ( 6.895 -1.693 -5.488) 8.973 5.093 ( -5.193 -1.410 3.543) 6.443 5.093 ( 5.193 -1.410 3.543) 6.443 5.167 ( -3.557 2.781 1.721) 4.832 5.167 ( 3.557 2.781 1.721) 4.832 5.349 ( -1.088 0.360 -0.839) 1.420 5.349 ( 1.088 0.360 -0.839) 1.420 5.447 ( -2.977 -4.297 -2.602) 5.840 5.447 ( 2.978 -4.297 -2.602) 5.840 5.872 ( -1.197 7.054 -7.200) 10.150 5.872 ( 1.197 7.054 -7.200) 10.150 5.960 ( -8.575 6.937 3.463) 11.560 5.960 ( 8.575 6.937 3.463) 11.560 6.087 ( -3.921 4.037 -3.346) 6.547 6.087 ( 3.921 4.037 -3.346) 6.547 6.178 ( -4.097 3.976 -0.240) 5.714 6.178 ( 4.097 3.976 -0.240) 5.714 6.284 ( -4.297 0.359 -1.086) 4.447 6.284 ( 4.297 0.359 -1.086) 4.447 6.580 ( -6.330 -10.313 -2.575) 12.372 6.580 ( 6.330 -10.313 -2.575) 12.372 6.963 ( -4.975 0.067 1.470) 5.188 6.963 ( 4.975 0.067 1.470) 5.188 7.172 ( -1.758 -6.584 4.255) 8.034 7.172 ( 1.758 -6.584 4.255) 8.034 7.323 ( -3.825 1.754 1.499) 4.467 7.323 ( 3.825 1.754 1.499) 4.467 7.404 ( -1.215 -1.012 1.439) 2.138 7.404 ( 1.215 -1.012 1.439) 2.138 7.891 ( -1.117 -0.523 3.449) 3.663 7.891 ( 1.117 -0.523 3.449) 3.663 8.050 ( -1.807 -7.313 5.392) 9.264 8.050 ( 1.807 -7.313 5.392) 9.264 8.424 ( -0.858 6.799 0.015) 6.853 8.424 ( 0.858 6.799 0.015) 6.853 8.580 ( -1.718 0.458 0.934) 2.009 8.580 ( 1.718 0.458 0.934) 2.009 8.805 ( -1.045 5.062 0.881) 5.243 8.805 ( 1.045 5.062 0.881) 5.243 9.059 ( -3.434 -5.337 -9.892) 11.753 9.059 ( 3.434 -5.337 -9.892) 11.753 9.327 ( -3.674 2.849 -3.769) 5.986 9.327 ( 3.674 2.849 -3.769) 5.986 9.425 ( -3.298 -1.031 -0.875) 3.564 9.425 ( 3.298 -1.031 -0.875) 3.564 10.466 ( -1.032 4.246 -0.616) 4.413 10.466 ( 1.032 4.246 -0.616) 4.413 10.669 ( -0.556 -4.165 -0.620) 4.247 10.669 ( 0.556 -4.165 -0.620) 4.247 11.519 ( -12.296 -3.984 2.019) 13.083 11.519 ( 12.296 -3.984 2.019) 13.083 11.632 ( -14.160 -8.416 -3.220) 16.784 11.632 ( 14.160 -8.416 -3.220) 16.784 12.146 ( -0.797 1.970 -4.039) 4.564 12.146 ( 0.797 1.970 -4.039) 4.564 12.212 ( -1.093 0.281 -1.338) 1.750 12.212 ( 1.093 0.281 -1.338) 1.750 12.734 ( -5.043 1.195 -0.478) 5.205 12.734 ( 5.043 1.195 -0.478) 5.205 12.769 ( -7.348 -2.352 -1.555) 7.870 12.769 ( 7.348 -2.352 -1.555) 7.870 13.838 ( -2.539 8.592 2.507) 9.304 13.838 ( 2.539 8.592 2.507) 9.304 14.145 ( -2.800 -5.538 4.749) 7.814 14.145 ( 2.800 -5.538 4.749) 7.814 14.318 ( -1.021 3.606 0.338) 3.763 14.318 ( 1.021 3.606 0.338) 3.763 14.542 ( -0.239 -5.065 2.458) 5.635 14.542 ( 0.239 -5.065 2.458) 5.635 15.081 ( -4.629 6.272 3.889) 8.712 15.081 ( 4.629 6.272 3.889) 8.712 15.269 ( -2.599 3.282 0.573) 4.225 15.269 ( 2.599 3.282 0.573) 4.225 15.414 ( -4.692 -5.570 0.936) 7.342 15.414 ( 4.692 -5.570 0.936) 7.342 15.549 ( -6.745 -5.652 -4.562) 9.912 15.549 ( 6.745 -5.652 -4.562) 9.912 16.404 ( -3.266 22.041 -5.414) 22.930 16.404 ( 3.266 22.041 -5.414) 22.930 17.147 ( -2.192 -13.491 -2.204) 13.844 17.147 ( 2.192 -13.491 -2.204) 13.844 18.188 ( -2.134 0.693 -3.180) 3.892 18.188 ( 2.134 0.693 -3.180) 3.892 18.217 ( -2.712 -0.867 -3.194) 4.279 18.217 ( 2.712 -0.867 -3.194) 4.279 24.566 ( -0.831 0.839 -0.800) 1.426 24.566 ( 0.831 0.839 -0.800) 1.426 24.638 ( -0.546 -2.357 -2.616) 3.563 24.638 ( 0.546 -2.357 -2.616) 3.563 26.525 ( -0.905 0.856 0.769) 1.464 26.525 ( 0.905 0.856 0.769) 1.464 26.603 ( -0.646 -2.642 0.235) 2.730 26.603 ( 0.646 -2.642 0.235) 2.730 28.261 ( -3.553 1.916 2.845) 4.938 28.261 ( 3.553 1.916 2.845) 4.938 28.301 ( -1.886 -0.278 1.759) 2.594 28.301 ( 1.886 -0.278 1.759) 2.594 28.461 ( -1.914 4.887 2.686) 5.895 28.461 ( 1.914 4.887 2.686) 5.895 28.556 ( -3.373 0.878 -0.731) 3.561 28.556 ( 3.373 0.878 -0.731) 3.561 28.895 ( -2.616 7.887 1.798) 8.502 28.895 ( 2.616 7.887 1.798) 8.502 29.193 ( -2.081 -5.089 1.371) 5.667 29.193 ( 2.081 -5.089 1.371) 5.667 29.783 ( -4.779 8.169 -4.211) 10.358 29.783 ( 4.779 8.169 -4.211) 10.358 29.995 ( -1.674 0.339 -0.794) 1.884 29.995 ( 1.674 0.339 -0.794) 1.884 30.281 ( -2.036 -2.904 2.890) 4.575 30.281 ( 2.036 -2.904 2.890) 4.575 30.563 ( -4.573 -14.220 -2.708) 15.181 30.563 ( 4.573 -14.220 -2.708) 15.181 ======================= Grid point 155 (58/72) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( 0.000 -5.749 16.025) 17.025 2.670 ( 0.000 5.749 16.025) 17.025 2.974 ( 0.000 -3.624 3.990) 5.390 2.974 ( 0.000 3.624 3.990) 5.390 3.073 ( 0.000 -4.586 13.656) 14.406 3.073 ( 0.000 4.586 13.656) 14.406 3.480 ( 0.000 -8.574 -6.057) 10.498 3.480 ( 0.000 8.574 -6.057) 10.498 3.561 ( 0.000 -2.039 1.531) 2.550 3.561 ( 0.000 2.039 1.531) 2.550 3.772 ( 0.000 -7.352 6.121) 9.567 3.772 ( 0.000 7.352 6.121) 9.567 4.064 ( 0.000 -4.438 -12.955) 13.694 4.064 ( 0.000 4.438 -12.955) 13.694 4.402 ( 0.000 -2.759 -2.882) 3.989 4.402 ( 0.000 2.759 -2.882) 3.989 4.792 ( 0.000 -2.788 1.020) 2.969 4.792 ( 0.000 2.788 1.020) 2.969 4.957 ( 0.000 -3.978 0.886) 4.076 4.957 ( 0.000 3.978 0.886) 4.076 5.074 ( 0.000 -0.421 -7.792) 7.803 5.074 ( 0.000 0.421 -7.792) 7.803 5.200 ( 0.000 -0.098 4.354) 4.355 5.200 ( 0.000 0.098 4.354) 4.355 5.400 ( 0.000 -3.845 -1.484) 4.121 5.400 ( 0.000 3.845 -1.484) 4.121 5.501 ( 0.000 -0.843 0.085) 0.848 5.501 ( 0.000 0.844 0.085) 0.848 5.683 ( 0.000 -0.737 -2.442) 2.551 5.683 ( 0.000 0.737 -2.442) 2.551 5.945 ( 0.000 -3.597 -8.415) 9.152 5.945 ( 0.000 3.597 -8.415) 9.152 6.084 ( 0.000 -1.349 -5.705) 5.862 6.084 ( 0.000 1.349 -5.705) 5.862 6.219 ( 0.000 -0.745 -2.778) 2.877 6.219 ( 0.000 0.745 -2.778) 2.877 6.404 ( 0.000 -3.647 0.511) 3.682 6.404 ( 0.000 3.647 0.511) 3.682 6.635 ( 0.000 -3.490 2.388) 4.229 6.635 ( 0.000 3.490 2.388) 4.229 6.897 ( 0.000 -1.458 2.194) 2.635 6.897 ( 0.000 1.458 2.194) 2.635 7.149 ( 0.000 -0.684 -6.003) 6.042 7.149 ( 0.000 0.684 -6.003) 6.042 7.312 ( 0.000 -1.525 5.589) 5.793 7.312 ( 0.000 1.525 5.589) 5.793 7.538 ( 0.000 -0.999 -3.421) 3.564 7.538 ( 0.000 0.999 -3.421) 3.564 7.694 ( 0.000 -2.290 9.923) 10.184 7.694 ( 0.000 2.290 9.923) 10.184 8.019 ( 0.000 -0.582 8.060) 8.081 8.019 ( 0.000 0.582 8.060) 8.081 8.522 ( 0.000 -1.535 -1.315) 2.021 8.522 ( 0.000 1.535 -1.315) 2.021 8.572 ( 0.000 -3.816 2.261) 4.436 8.572 ( 0.000 3.816 2.261) 4.436 8.858 ( 0.000 -3.526 -5.712) 6.712 8.858 ( 0.000 3.526 -5.712) 6.712 8.939 ( 0.000 -7.968 -1.868) 8.184 8.939 ( 0.000 7.968 -1.868) 8.184 9.359 ( 0.000 -2.223 -3.829) 4.427 9.359 ( 0.000 2.223 -3.829) 4.427 9.446 ( 0.000 -2.976 -0.378) 3.000 9.446 ( 0.000 2.976 -0.378) 3.000 10.555 ( 0.000 -1.668 0.582) 1.766 10.555 ( 0.000 1.668 0.582) 1.766 10.564 ( 0.000 -2.814 -1.067) 3.009 10.564 ( 0.000 2.814 -1.067) 3.009 11.232 ( 0.000 -0.779 -2.704) 2.814 11.232 ( 0.000 0.779 -2.704) 2.814 11.865 ( 0.000 -0.880 -3.170) 3.290 11.865 ( 0.000 0.880 -3.170) 3.290 12.082 ( 0.000 -3.942 2.703) 4.779 12.082 ( 0.000 3.942 2.703) 4.779 12.313 ( 0.000 -0.113 -0.631) 0.641 12.313 ( 0.000 0.113 -0.631) 0.641 12.565 ( 0.000 -0.597 -4.299) 4.340 12.565 ( 0.000 0.597 -4.299) 4.340 12.870 ( 0.000 -1.099 -2.057) 2.332 12.870 ( 0.000 1.099 -2.057) 2.332 13.773 ( 0.000 -0.715 3.356) 3.432 13.773 ( 0.000 0.715 3.356) 3.432 14.274 ( 0.000 -1.152 2.959) 3.175 14.274 ( 0.000 1.152 2.959) 3.175 14.363 ( 0.000 -0.006 5.150) 5.150 14.363 ( 0.000 0.006 5.150) 5.150 14.476 ( 0.000 -0.678 1.264) 1.434 14.476 ( 0.000 0.678 1.264) 1.434 15.060 ( 0.000 -7.691 -0.756) 7.728 15.060 ( 0.000 7.691 -0.756) 7.728 15.209 ( 0.000 -1.029 5.183) 5.284 15.209 ( 0.000 1.029 5.183) 5.284 15.330 ( 0.000 -5.321 0.483) 5.343 15.330 ( 0.000 5.321 0.483) 5.343 15.614 ( 0.000 -5.448 -7.061) 8.919 15.614 ( 0.000 5.448 -7.061) 8.919 16.774 ( 0.000 -4.617 -6.126) 7.671 16.774 ( 0.000 4.617 -6.126) 7.671 16.910 ( 0.000 -0.580 -0.941) 1.106 16.910 ( 0.000 0.580 -0.941) 1.106 18.099 ( 0.000 -1.474 -0.638) 1.606 18.099 ( 0.000 1.474 -0.638) 1.606 18.277 ( 0.000 -0.137 -5.578) 5.579 18.277 ( 0.000 0.137 -5.578) 5.579 24.531 ( 0.000 -0.718 -0.577) 0.922 24.531 ( 0.000 0.718 -0.577) 0.922 24.659 ( 0.000 -0.506 -2.462) 2.514 24.659 ( 0.000 0.506 -2.462) 2.514 26.516 ( 0.000 -1.159 0.332) 1.206 26.516 ( 0.000 1.159 0.332) 1.206 26.589 ( 0.000 -0.347 0.493) 0.603 26.589 ( 0.000 0.347 0.493) 0.603 28.176 ( 0.000 -1.450 2.441) 2.839 28.176 ( 0.000 1.450 2.441) 2.839 28.398 ( 0.000 -1.461 -0.384) 1.510 28.398 ( 0.000 1.461 -0.384) 1.510 28.486 ( 0.000 -0.554 4.055) 4.093 28.486 ( 0.000 0.554 4.055) 4.093 28.634 ( 0.000 -4.800 0.157) 4.803 28.634 ( 0.000 4.800 0.157) 4.803 28.917 ( 0.000 -0.952 0.487) 1.069 28.917 ( 0.000 0.952 0.487) 1.069 29.228 ( 0.000 -1.950 1.691) 2.581 29.228 ( 0.000 1.950 1.691) 2.581 29.813 ( 0.000 -8.477 3.914) 9.337 29.813 ( 0.000 8.477 3.914) 9.337 30.064 ( 0.000 -3.905 -0.868) 4.000 30.064 ( 0.000 3.905 -0.868) 4.000 30.179 ( 0.000 -10.088 -4.089) 10.885 30.179 ( 0.000 10.088 -4.089) 10.885 30.417 ( 0.000 -6.783 -2.632) 7.276 30.417 ( 0.000 6.783 -2.632) 7.276 ======================= Grid point 157 (59/72) ======================= q-point: ( 0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 2.400 -6.032 13.580) 15.052 2.689 ( 2.400 6.032 13.580) 15.052 2.892 ( -6.941 -6.646 5.705) 11.176 2.892 ( -6.941 6.646 5.705) 11.176 3.146 ( 6.700 -2.566 11.391) 13.462 3.146 ( 6.700 2.566 11.391) 13.462 3.429 ( -5.542 -6.222 -0.263) 8.337 3.429 ( -5.542 6.222 -0.263) 8.337 3.609 ( 4.545 -5.535 0.578) 7.185 3.609 ( 4.545 5.535 0.578) 7.185 3.751 ( -2.168 -7.083 4.681) 8.763 3.751 ( -2.168 7.083 4.681) 8.763 4.168 ( 10.106 -6.222 -9.722) 15.341 4.168 ( 10.106 6.222 -9.722) 15.341 4.440 ( 2.968 -4.494 -6.129) 8.159 4.440 ( 2.968 4.494 -6.129) 8.159 4.672 ( -7.857 -7.875 1.617) 11.242 4.672 ( -7.857 7.875 1.617) 11.242 4.940 ( -9.740 -6.585 -11.766) 16.633 4.940 ( -9.740 6.585 -11.766) 16.633 5.047 ( 3.448 -5.640 1.816) 6.855 5.047 ( 3.448 5.640 1.816) 6.855 5.245 ( 0.386 -0.330 4.907) 4.933 5.245 ( 0.386 0.330 4.907) 4.933 5.305 ( -2.256 -2.968 -1.026) 3.867 5.305 ( -2.256 2.968 -1.026) 3.867 5.474 ( -4.609 -1.514 -2.336) 5.384 5.474 ( -4.609 1.514 -2.336) 5.384 5.807 ( 10.862 -1.772 -1.972) 11.181 5.807 ( 10.862 1.772 -1.972) 11.181 6.008 ( 4.220 -5.370 -7.630) 10.240 6.008 ( 4.220 5.370 -7.630) 10.240 6.143 ( 5.648 -6.101 -4.003) 9.228 6.143 ( 5.648 6.101 -4.003) 9.228 6.199 ( -0.872 -1.688 -3.027) 3.574 6.199 ( -0.872 1.688 -3.027) 3.574 6.343 ( -5.580 -5.380 0.902) 7.804 6.343 ( -5.580 5.380 0.902) 7.804 6.546 ( -8.464 -5.245 0.121) 9.958 6.546 ( -8.464 5.245 0.121) 9.958 6.942 ( 3.933 -5.000 3.796) 7.408 6.942 ( 3.933 5.000 3.796) 7.408 7.118 ( -3.711 -1.935 -2.448) 4.849 7.118 ( -3.711 1.935 -2.448) 4.849 7.316 ( 1.364 -1.659 4.134) 4.658 7.316 ( 1.364 1.659 4.134) 4.658 7.458 ( -5.939 -0.336 0.245) 5.953 7.458 ( -5.939 0.336 0.245) 5.953 7.790 ( 7.755 -1.646 6.653) 10.349 7.790 ( 7.755 1.646 6.653) 10.349 8.009 ( -1.935 -0.929 6.809) 7.139 8.009 ( -1.935 0.929 6.809) 7.139 8.523 ( 0.284 -2.334 0.243) 2.364 8.523 ( 0.284 2.334 0.243) 2.364 8.559 ( -1.143 -4.026 1.906) 4.598 8.559 ( -1.143 4.026 1.906) 4.598 8.886 ( 2.720 -4.611 -6.551) 8.460 8.886 ( 2.720 4.611 -6.551) 8.460 8.946 ( 0.348 -7.535 -3.690) 8.397 8.946 ( 0.348 7.535 -3.690) 8.397 9.360 ( 0.471 -1.902 -2.132) 2.896 9.360 ( 0.471 1.902 -2.132) 2.896 9.430 ( -1.844 -2.367 -0.886) 3.129 9.430 ( -1.844 2.367 -0.886) 3.129 10.556 ( 0.448 -4.759 0.218) 4.785 10.556 ( 0.448 4.759 0.218) 4.785 10.572 ( 0.304 -4.730 -0.950) 4.834 10.572 ( 0.304 4.730 -0.950) 4.834 11.305 ( 7.845 -1.744 -2.088) 8.303 11.305 ( 7.845 1.744 -2.088) 8.303 11.775 ( -13.165 -3.668 -1.715) 13.773 11.775 ( -13.165 3.668 -1.715) 13.773 12.017 ( 4.243 -0.936 -0.242) 4.352 12.017 ( 4.243 0.936 -0.242) 4.352 12.420 ( -10.260 -2.692 -3.172) 11.071 12.420 ( -10.260 2.692 -3.172) 11.071 12.530 ( 12.197 -2.181 -1.535) 12.485 12.530 ( 12.197 2.181 -1.535) 12.485 12.859 ( -2.642 -1.420 -1.523) 3.364 12.859 ( -2.642 1.420 -1.523) 3.364 13.847 ( 7.302 -1.927 3.897) 8.498 13.847 ( 7.302 1.927 3.897) 8.498 14.173 ( -8.252 -2.126 4.619) 9.693 14.173 ( -8.252 2.126 4.619) 9.693 14.402 ( 1.928 -1.994 3.003) 4.087 14.402 ( 1.928 1.994 3.003) 4.087 14.454 ( -1.783 -1.315 1.362) 2.601 14.454 ( -1.783 1.315 1.362) 2.601 15.123 ( 5.598 -7.565 -0.411) 9.420 15.123 ( 5.598 7.565 -0.411) 9.420 15.257 ( 3.852 -2.495 4.049) 6.120 15.257 ( 3.852 2.495 4.049) 6.120 15.312 ( -0.561 -3.025 0.403) 3.103 15.312 ( -0.561 3.025 0.403) 3.103 15.564 ( -5.481 -4.638 -5.901) 9.294 15.564 ( -5.481 4.638 -5.901) 9.294 16.781 ( 1.042 -7.324 -5.122) 8.998 16.781 ( 1.042 7.324 -5.122) 8.998 16.882 ( -2.864 -5.686 -2.140) 6.716 16.882 ( -2.864 5.686 -2.140) 6.717 18.132 ( 3.265 -0.910 -1.415) 3.673 18.132 ( 3.265 0.910 -1.415) 3.673 18.257 ( -2.152 -0.512 -4.913) 5.388 18.257 ( -2.152 0.512 -4.913) 5.388 24.549 ( 1.863 -0.573 -0.888) 2.142 24.549 ( 1.863 0.573 -0.888) 2.142 24.639 ( -2.003 -0.375 -2.220) 3.013 24.639 ( -2.003 0.375 -2.220) 3.013 26.527 ( 1.183 -1.083 0.361) 1.644 26.527 ( 1.183 1.083 0.361) 1.644 26.579 ( -1.019 -0.553 0.475) 1.253 26.579 ( -1.019 0.553 0.475) 1.253 28.210 ( 3.491 -1.226 2.454) 4.440 28.210 ( 3.491 1.226 2.454) 4.440 28.368 ( -3.179 -0.589 1.056) 3.401 28.368 ( -3.179 0.589 1.056) 3.401 28.498 ( 1.445 -1.485 2.483) 3.234 28.498 ( 1.445 1.485 2.483) 3.234 28.600 ( -3.122 -3.562 0.121) 4.738 28.600 ( -3.122 3.562 0.121) 4.738 28.962 ( 4.410 -1.883 1.057) 4.910 28.962 ( 4.410 1.883 1.057) 4.910 29.171 ( -5.404 -2.325 1.941) 6.194 29.171 ( -5.404 2.325 1.941) 6.194 29.857 ( 4.188 -6.464 2.203) 8.011 29.857 ( 4.188 6.464 2.203) 8.011 30.028 ( -3.604 -3.513 -1.287) 5.195 30.028 ( -3.604 3.513 -1.287) 5.195 30.223 ( 4.421 -7.708 -2.833) 9.327 30.223 ( 4.421 7.708 -2.833) 9.327 30.391 ( -2.803 -6.423 -2.350) 7.391 30.391 ( -2.803 6.423 -2.350) 7.391 ======================= Grid point 159 (60/72) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( -4.613 -11.065 9.003) 14.992 2.766 ( 2.712 -10.907 9.003) 14.400 2.766 ( -2.712 10.907 9.003) 14.400 2.766 ( 4.613 11.065 9.003) 14.992 3.293 ( -8.518 -2.739 6.892) 11.294 3.293 ( -8.359 2.614 6.892) 11.145 3.293 ( 8.359 -2.614 6.892) 11.145 3.293 ( 8.518 2.739 6.892) 11.294 3.694 ( -3.949 -8.169 2.087) 9.310 3.694 ( 3.741 -8.144 2.087) 9.202 3.694 ( -3.741 8.144 2.087) 9.202 3.694 ( 3.949 8.169 2.087) 9.310 4.371 ( -10.077 -8.358 -3.822) 13.638 4.371 ( 7.976 -7.770 -3.822) 11.773 4.371 ( -7.976 7.770 -3.822) 11.773 4.371 ( 10.077 8.358 -3.822) 13.638 4.709 ( -11.507 -8.117 -10.137) 17.351 4.709 ( 11.240 -8.023 -10.137) 17.131 4.709 ( -11.240 8.023 -10.137) 17.131 4.709 ( 11.507 8.117 -10.137) 17.351 5.150 ( -6.301 -4.408 3.192) 8.326 5.150 ( 3.100 -3.450 3.192) 5.631 5.150 ( -3.100 3.450 3.192) 5.631 5.150 ( 6.301 4.408 3.192) 8.326 5.376 ( -4.900 -2.344 -1.951) 5.772 5.376 ( -2.528 -1.043 -1.951) 3.360 5.376 ( 2.528 1.043 -1.951) 3.360 5.376 ( 4.900 2.344 -1.951) 5.772 5.988 ( -6.877 -3.388 -4.992) 9.149 5.988 ( -2.251 -0.959 -4.992) 5.560 5.988 ( 2.251 0.959 -4.992) 5.560 5.988 ( 6.877 3.388 -4.992) 9.149 6.204 ( -3.968 -4.322 -0.103) 5.869 6.204 ( 1.283 -3.893 -0.103) 4.101 6.204 ( -1.283 3.893 -0.103) 4.101 6.204 ( 3.968 4.322 -0.103) 5.869 6.361 ( -9.829 -9.249 -2.256) 13.684 6.361 ( 6.083 -8.405 -2.256) 10.618 6.361 ( -6.083 8.405 -2.256) 10.618 6.361 ( 9.829 9.249 -2.256) 13.684 7.028 ( -5.114 -5.972 2.458) 8.237 7.028 ( 4.079 -5.769 2.458) 7.481 7.028 ( -4.079 5.769 2.458) 7.481 7.028 ( 5.114 5.972 2.458) 8.237 7.366 ( -3.355 -2.124 2.331) 4.604 7.366 ( -1.160 -1.425 2.331) 2.968 7.366 ( 1.160 1.425 2.331) 2.968 7.366 ( 3.355 2.124 2.331) 4.604 7.929 ( -4.758 -3.416 5.718) 8.185 7.929 ( -3.392 -2.981 5.718) 7.286 7.929 ( 3.392 2.981 5.718) 7.286 7.929 ( 4.758 3.416 5.718) 8.185 8.537 ( -0.963 -4.060 1.622) 4.476 8.537 ( 0.847 -4.053 1.622) 4.447 8.537 ( -0.847 4.053 1.622) 4.447 8.537 ( 0.963 4.060 1.622) 4.476 8.934 ( -1.785 -6.675 -6.462) 9.460 8.934 ( 1.734 -6.672 -6.462) 9.449 8.934 ( -1.734 6.672 -6.462) 9.449 8.934 ( 1.785 6.675 -6.462) 9.460 9.387 ( -2.175 -2.595 -0.846) 3.491 9.387 ( 1.510 -2.475 -0.846) 3.020 9.387 ( -1.510 2.475 -0.846) 3.020 9.387 ( 2.175 2.595 -0.846) 3.491 10.568 ( -0.636 -5.342 -0.489) 5.402 10.568 ( 0.635 -5.342 -0.490) 5.402 10.568 ( -0.635 5.342 -0.490) 5.402 10.568 ( 0.636 5.342 -0.490) 5.402 11.508 ( -13.712 -3.019 -1.143) 14.087 11.508 ( -13.534 2.810 -1.143) 13.870 11.508 ( 13.534 -2.810 -1.143) 13.870 11.508 ( 13.712 3.019 -1.143) 14.087 12.187 ( -11.818 -0.713 -3.032) 12.222 12.187 ( -11.776 -0.506 -3.032) 12.170 12.187 ( 11.776 0.506 -3.032) 12.170 12.187 ( 11.818 0.713 -3.032) 12.222 12.747 ( -9.502 -0.719 -1.051) 9.587 12.747 ( -9.492 0.686 -1.051) 9.574 12.747 ( 9.492 -0.686 -1.051) 9.574 12.747 ( 9.502 0.720 -1.051) 9.587 14.007 ( -6.679 -6.871 4.808) 10.720 14.007 ( -2.641 -6.148 4.808) 8.239 14.007 ( 2.641 6.148 4.808) 8.239 14.007 ( 6.679 6.871 4.808) 10.720 14.426 ( -0.663 -6.126 1.723) 6.398 14.426 ( 0.504 -6.122 1.723) 6.380 14.426 ( -0.504 6.122 1.723) 6.380 14.426 ( 0.663 6.126 1.723) 6.398 15.222 ( -4.537 -6.926 1.408) 8.399 15.222 ( 4.008 -6.844 1.408) 8.055 15.222 ( -4.008 6.844 1.408) 8.055 15.222 ( 4.537 6.926 1.408) 8.399 15.424 ( -7.340 -5.189 -2.150) 9.243 15.424 ( -2.667 -3.904 -2.150) 5.194 15.424 ( 2.667 3.904 -2.150) 5.194 15.424 ( 7.340 5.189 -2.150) 9.243 16.821 ( -1.697 -18.175 -3.764) 18.638 16.821 ( 1.259 -18.166 -3.764) 18.594 16.821 ( -1.259 18.166 -3.764) 18.594 16.821 ( 1.697 18.175 -3.764) 18.638 18.201 ( -3.674 -0.523 -3.223) 4.915 18.201 ( -3.556 0.246 -3.223) 4.806 18.201 ( 3.556 -0.246 -3.223) 4.806 18.201 ( 3.674 0.523 -3.223) 4.915 24.593 ( -1.844 -1.520 -1.588) 2.869 24.593 ( -1.406 -1.397 -1.588) 2.540 24.593 ( 1.406 1.397 -1.588) 2.540 24.593 ( 1.844 1.520 -1.588) 2.869 26.554 ( -1.048 -1.913 0.423) 2.222 26.554 ( 0.075 -1.840 0.423) 1.890 26.554 ( -0.075 1.840 0.423) 1.890 26.554 ( 1.048 1.913 0.423) 2.222 28.291 ( -4.673 -0.723 2.238) 5.232 28.291 ( -4.475 0.267 2.238) 5.011 28.291 ( 4.475 -0.267 2.238) 5.011 28.291 ( 4.673 0.723 2.238) 5.232 28.540 ( -2.967 -2.411 0.798) 3.905 28.540 ( 2.092 -2.169 0.798) 3.118 28.540 ( -2.092 2.169 0.798) 3.118 28.540 ( 2.967 2.411 0.798) 3.905 29.061 ( -3.839 -7.277 1.784) 8.419 29.061 ( -0.148 -7.020 1.784) 7.245 29.061 ( 0.148 7.020 1.784) 7.245 29.061 ( 3.839 7.277 1.784) 8.419 29.945 ( -4.072 -5.860 -0.293) 7.142 29.945 ( 1.457 -5.543 -0.293) 5.739 29.945 ( -1.457 5.543 -0.293) 5.739 29.945 ( 4.072 5.860 -0.293) 7.142 30.317 ( -4.416 -7.660 -2.068) 9.081 30.317 ( 3.031 -7.490 -2.068) 8.340 30.317 ( -3.031 7.490 -2.068) 8.340 30.317 ( 4.416 7.660 -2.068) 9.081 ======================= Grid point 175 (61/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 0.000 0.000 -2.946) 2.946 2.013 ( 0.000 0.000 2.946) 2.946 3.025 ( 0.000 0.000 -10.944) 10.944 3.025 ( 0.000 0.000 10.944) 10.944 3.076 ( 0.000 0.000 -1.598) 1.598 3.076 ( 0.000 0.000 1.598) 1.598 3.560 ( 0.000 0.000 -4.439) 4.439 3.560 ( 0.000 0.000 4.439) 4.439 3.755 ( 0.000 0.000 -14.321) 14.321 3.755 ( 0.000 0.000 14.321) 14.321 3.863 ( 0.000 0.000 -20.925) 20.925 3.863 ( 0.000 0.000 20.925) 20.925 3.964 ( 0.000 0.000 -3.621) 3.621 3.964 ( 0.000 0.000 3.621) 3.621 4.349 ( 0.000 0.000 -0.954) 0.954 4.349 ( 0.000 0.000 0.954) 0.954 4.706 ( 0.000 0.000 -7.196) 7.196 4.706 ( 0.000 0.000 7.196) 7.196 4.738 ( 0.000 0.000 -2.823) 2.823 4.738 ( 0.000 0.000 2.823) 2.823 4.944 ( 0.000 0.000 -11.817) 11.817 4.944 ( 0.000 0.000 11.817) 11.817 5.031 ( 0.000 0.000 -2.016) 2.016 5.031 ( 0.000 0.000 2.016) 2.016 5.407 ( 0.000 0.000 -7.414) 7.414 5.407 ( 0.000 0.000 7.414) 7.414 5.586 ( 0.000 0.000 -2.232) 2.232 5.586 ( 0.000 0.000 2.232) 2.232 5.787 ( 0.000 0.000 -3.076) 3.076 5.787 ( 0.000 0.000 3.077) 3.077 5.868 ( 0.000 0.000 -3.682) 3.682 5.868 ( 0.000 0.000 3.682) 3.682 6.072 ( 0.000 0.000 -0.798) 0.798 6.072 ( 0.000 0.000 0.798) 0.798 6.140 ( 0.000 0.000 -0.214) 0.214 6.140 ( 0.000 0.000 0.214) 0.214 6.237 ( 0.000 0.000 -2.195) 2.195 6.237 ( 0.000 0.000 2.195) 2.195 6.759 ( 0.000 0.000 -8.182) 8.182 6.759 ( 0.000 0.000 8.182) 8.182 7.114 ( 0.000 0.000 -6.890) 6.890 7.114 ( 0.000 0.000 6.890) 6.890 7.149 ( 0.000 0.000 -0.073) 0.073 7.149 ( 0.000 0.000 0.073) 0.073 7.337 ( 0.000 0.000 -0.942) 0.942 7.337 ( 0.000 0.000 0.942) 0.942 7.425 ( 0.000 0.000 -3.658) 3.658 7.425 ( 0.000 0.000 3.658) 3.658 7.897 ( 0.000 0.000 -5.538) 5.538 7.897 ( 0.000 0.000 5.538) 5.538 8.177 ( 0.000 0.000 -1.674) 1.674 8.177 ( 0.000 0.000 1.674) 1.674 8.403 ( 0.000 0.000 -5.850) 5.850 8.403 ( 0.000 0.000 5.850) 5.850 8.472 ( 0.000 0.000 -2.620) 2.620 8.472 ( 0.000 0.000 2.620) 2.620 8.824 ( 0.000 0.000 -3.068) 3.068 8.824 ( 0.000 0.000 3.068) 3.068 9.021 ( 0.000 0.000 -17.965) 17.965 9.021 ( 0.000 0.000 17.965) 17.965 9.282 ( 0.000 0.000 -5.158) 5.158 9.282 ( 0.000 0.000 5.158) 5.158 9.388 ( 0.000 0.000 -5.127) 5.127 9.388 ( 0.000 0.000 5.127) 5.127 10.386 ( 0.000 0.000 -3.480) 3.480 10.386 ( 0.000 0.000 3.480) 3.480 10.717 ( 0.000 0.000 -1.464) 1.464 10.717 ( 0.000 0.000 1.464) 1.464 11.585 ( 0.000 0.000 -0.536) 0.536 11.585 ( 0.000 0.000 0.536) 0.536 11.977 ( 0.000 0.000 -1.788) 1.788 11.977 ( 0.000 0.000 1.788) 1.788 11.990 ( 0.000 0.000 -1.217) 1.217 11.990 ( 0.000 0.000 1.217) 1.217 12.355 ( 0.000 0.000 -3.667) 3.667 12.355 ( 0.000 0.000 3.667) 3.667 12.436 ( 0.000 0.000 -6.803) 6.803 12.436 ( 0.000 0.000 6.803) 6.803 12.969 ( 0.000 0.000 -0.177) 0.177 12.969 ( 0.000 0.000 0.177) 0.177 13.571 ( 0.000 0.000 -1.201) 1.201 13.571 ( 0.000 0.000 1.201) 1.201 14.281 ( 0.000 0.000 -2.393) 2.393 14.281 ( 0.000 0.000 2.393) 2.393 14.284 ( 0.000 0.000 -1.847) 1.847 14.284 ( 0.000 0.000 1.847) 1.847 14.771 ( 0.000 0.000 -2.235) 2.235 14.771 ( 0.000 0.000 2.235) 2.235 15.031 ( 0.000 0.000 -8.321) 8.321 15.031 ( 0.000 0.000 8.321) 8.321 15.176 ( 0.000 0.000 -5.486) 5.486 15.176 ( 0.000 0.000 5.486) 5.486 15.499 ( 0.000 0.000 -0.751) 0.751 15.499 ( 0.000 0.000 0.751) 0.751 15.668 ( 0.000 0.000 -8.678) 8.678 15.668 ( 0.000 0.000 8.678) 8.678 15.723 ( 0.000 0.000 -12.904) 12.904 15.723 ( 0.000 0.000 12.904) 12.904 17.435 ( 0.000 0.000 -6.825) 6.825 17.435 ( 0.000 0.000 6.825) 6.825 18.148 ( 0.000 0.000 -1.614) 1.614 18.148 ( 0.000 0.000 1.614) 1.614 18.177 ( 0.000 0.000 -1.338) 1.338 18.177 ( 0.000 0.000 1.338) 1.338 24.522 ( 0.000 0.000 -1.699) 1.699 24.522 ( 0.000 0.000 1.699) 1.699 24.695 ( 0.000 0.000 -0.829) 0.829 24.695 ( 0.000 0.000 0.829) 0.829 26.533 ( 0.000 0.000 -1.103) 1.103 26.533 ( 0.000 0.000 1.103) 1.103 26.673 ( 0.000 0.000 -2.047) 2.047 26.673 ( 0.000 0.000 2.047) 2.047 28.201 ( 0.000 0.000 -3.400) 3.400 28.201 ( 0.000 0.000 3.400) 3.400 28.298 ( 0.000 0.000 -1.877) 1.877 28.298 ( 0.000 0.000 1.877) 1.877 28.460 ( 0.000 0.000 -2.612) 2.612 28.460 ( 0.000 0.000 2.612) 2.612 28.505 ( 0.000 0.000 -1.837) 1.837 28.505 ( 0.000 0.000 1.837) 1.837 28.659 ( 0.000 0.000 -10.184) 10.184 28.659 ( 0.000 0.000 10.184) 10.184 29.305 ( 0.000 0.000 -0.816) 0.816 29.305 ( 0.000 0.000 0.816) 0.816 29.502 ( 0.000 0.000 -7.933) 7.933 29.502 ( 0.000 0.000 7.933) 7.933 29.971 ( 0.000 0.000 -0.837) 0.837 29.971 ( 0.000 0.000 0.837) 0.837 30.502 ( 0.000 0.000 -5.091) 5.091 30.502 ( 0.000 0.000 5.091) 5.091 30.878 ( 0.000 0.000 -10.133) 10.133 30.878 ( 0.000 0.000 10.133) 10.133 ======================= Grid point 177 (62/72) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 0.163 0.000 -2.163) 2.170 2.015 ( 0.163 0.000 2.163) 2.170 3.069 ( 4.089 0.000 -11.020) 11.754 3.069 ( 4.089 0.000 11.020) 11.754 3.079 ( 0.260 0.000 -1.097) 1.127 3.079 ( 0.260 0.000 1.097) 1.127 3.535 ( -2.186 0.000 -3.908) 4.478 3.535 ( -2.186 0.000 3.908) 4.478 3.700 ( -3.227 0.000 -8.865) 9.434 3.700 ( -3.227 0.000 8.865) 9.434 3.797 ( -5.997 0.000 -18.562) 19.507 3.797 ( -5.997 0.000 18.562) 19.507 4.053 ( 6.254 0.000 -3.557) 7.194 4.053 ( 6.254 0.000 3.557) 7.194 4.369 ( 2.317 0.000 -6.884) 7.263 4.369 ( 2.317 0.000 6.884) 7.263 4.666 ( -4.930 0.000 -7.222) 8.744 4.666 ( -4.930 0.000 7.222) 8.745 4.719 ( 1.051 0.000 -4.824) 4.937 4.719 ( 1.051 0.000 4.824) 4.937 5.031 ( 0.331 0.000 -1.688) 1.720 5.031 ( 0.331 0.000 1.688) 1.720 5.101 ( 12.817 0.000 -8.915) 15.612 5.101 ( 12.817 0.000 8.915) 15.613 5.415 ( 0.105 0.000 -5.567) 5.568 5.415 ( 0.105 0.000 5.567) 5.568 5.531 ( -5.182 0.000 -5.338) 7.440 5.531 ( -5.182 0.000 5.338) 7.440 5.790 ( 0.925 0.000 -2.329) 2.506 5.790 ( 0.925 0.000 2.329) 2.506 5.799 ( -6.745 0.000 -3.932) 7.808 5.799 ( -6.745 0.000 3.932) 7.808 6.096 ( -4.069 0.000 -0.249) 4.076 6.096 ( -4.069 0.000 0.249) 4.076 6.097 ( 0.265 0.000 -3.746) 3.755 6.097 ( 0.265 0.000 3.746) 3.755 6.220 ( 1.599 0.000 -4.036) 4.341 6.220 ( 1.599 0.000 4.036) 4.341 6.822 ( 3.678 0.000 -10.371) 11.004 6.822 ( 3.678 0.000 10.371) 11.004 7.052 ( -3.850 0.000 -8.743) 9.553 7.052 ( -3.850 0.000 8.743) 9.553 7.179 ( 2.919 0.000 -0.711) 3.004 7.179 ( 2.919 0.000 0.711) 3.004 7.314 ( -2.344 0.000 -0.984) 2.542 7.314 ( -2.344 0.000 0.984) 2.542 7.472 ( 3.226 0.000 -5.752) 6.595 7.472 ( 3.226 0.000 5.752) 6.595 7.935 ( 3.718 0.000 -3.329) 4.991 7.935 ( 3.718 0.000 3.329) 4.991 8.177 ( 0.031 0.000 -1.219) 1.219 8.177 ( 0.031 0.000 1.219) 1.219 8.367 ( -3.561 0.000 -5.503) 6.555 8.367 ( -3.561 0.000 5.503) 6.555 8.480 ( 0.623 0.000 -1.762) 1.868 8.480 ( 0.623 0.000 1.762) 1.868 8.844 ( 2.046 0.000 -6.794) 7.095 8.844 ( 2.046 0.000 6.794) 7.095 8.994 ( -2.685 0.000 -15.975) 16.199 8.994 ( -2.685 0.000 15.975) 16.199 9.218 ( -4.458 0.000 -3.173) 5.473 9.218 ( -4.458 0.000 3.173) 5.473 9.411 ( 1.080 0.000 -3.839) 3.988 9.411 ( 1.080 0.000 3.839) 3.988 10.379 ( -0.588 0.000 -2.434) 2.504 10.379 ( -0.588 0.000 2.434) 2.504 10.725 ( 0.599 0.000 -1.243) 1.380 10.725 ( 0.599 0.000 1.243) 1.380 11.672 ( 8.957 0.000 -4.492) 10.020 11.672 ( 8.957 0.000 4.492) 10.020 11.978 ( 0.053 0.000 -3.327) 3.327 11.978 ( 0.053 0.000 3.327) 3.327 11.988 ( -0.170 0.000 -2.787) 2.792 11.988 ( -0.170 0.000 2.787) 2.792 12.191 ( -12.717 0.000 -6.530) 14.296 12.191 ( -12.717 0.000 6.530) 14.296 12.556 ( 8.257 0.000 -1.210) 8.345 12.556 ( 8.257 0.000 1.210) 8.345 12.960 ( -1.609 0.000 -0.940) 1.864 12.960 ( -1.609 0.000 0.940) 1.864 13.579 ( 0.666 0.000 -0.868) 1.094 13.579 ( 0.666 0.000 0.868) 1.094 14.275 ( -0.747 0.000 -1.243) 1.450 14.275 ( -0.747 0.000 1.243) 1.450 14.276 ( -0.387 0.000 -2.091) 2.127 14.276 ( -0.387 0.000 2.091) 2.127 14.752 ( -1.446 0.000 -2.107) 2.556 14.752 ( -1.446 0.000 2.107) 2.556 15.040 ( 0.839 0.000 -6.008) 6.066 15.040 ( 0.839 0.000 6.008) 6.066 15.234 ( 5.370 0.000 -5.435) 7.640 15.234 ( 5.370 0.000 5.435) 7.640 15.492 ( -0.683 0.000 -1.340) 1.504 15.492 ( -0.683 0.000 1.340) 1.504 15.620 ( -4.526 0.000 -7.014) 8.347 15.620 ( -4.526 0.000 7.014) 8.347 15.726 ( 0.249 0.000 -8.911) 8.914 15.726 ( 0.249 0.000 8.911) 8.914 17.434 ( -0.048 0.000 -4.830) 4.831 17.434 ( -0.048 0.000 4.830) 4.831 18.138 ( -0.599 0.000 -3.323) 3.377 18.138 ( -0.599 0.000 3.323) 3.377 18.195 ( 1.237 0.000 -4.228) 4.405 18.195 ( 1.237 0.000 4.228) 4.405 24.537 ( 1.417 0.000 -1.309) 1.929 24.537 ( 1.417 0.000 1.309) 1.929 24.679 ( -1.549 0.000 -0.611) 1.665 24.679 ( -1.549 0.000 0.611) 1.665 26.533 ( 0.054 0.000 -0.795) 0.797 26.533 ( 0.054 0.000 0.795) 0.797 26.672 ( -0.076 0.000 -1.463) 1.465 26.672 ( -0.076 0.000 1.463) 1.465 28.221 ( 1.820 0.000 -2.646) 3.211 28.221 ( 1.820 0.000 2.646) 3.211 28.312 ( 1.541 0.000 -2.117) 2.619 28.312 ( 1.541 0.000 2.117) 2.619 28.421 ( -3.407 0.000 -2.329) 4.127 28.421 ( -3.407 0.000 2.329) 4.127 28.482 ( -2.106 0.000 -1.496) 2.583 28.482 ( -2.106 0.000 1.496) 2.583 28.689 ( 2.319 0.000 -6.436) 6.841 28.689 ( 2.319 0.000 6.436) 6.841 29.314 ( 0.726 0.000 -0.533) 0.901 29.314 ( 0.726 0.000 0.533) 0.901 29.497 ( -0.452 0.000 -5.710) 5.728 29.497 ( -0.452 0.000 5.710) 5.728 29.969 ( -0.186 0.000 -0.678) 0.703 29.969 ( -0.186 0.000 0.678) 0.703 30.479 ( -1.903 0.000 -2.996) 3.549 30.479 ( -1.903 0.000 2.996) 3.549 30.898 ( 1.594 0.000 -6.600) 6.790 30.898 ( 1.594 0.000 6.600) 6.790 ======================= Grid point 179 (63/72) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 0.000 0.000 0.000) 0.000 2.016 ( 0.000 0.000 0.000) 0.000 3.082 ( -0.000 0.000 0.000) 0.000 3.082 ( 0.000 0.000 0.000) 0.000 3.122 ( 0.000 0.000 0.000) 0.000 3.122 ( 0.000 0.000 0.000) 0.000 3.509 ( 0.000 0.000 -0.000) 0.000 3.509 ( 0.000 0.000 0.000) 0.000 3.671 ( 0.000 0.000 -0.000) 0.000 3.671 ( 0.000 0.000 0.000) 0.000 3.722 ( 0.000 0.000 -0.000) 0.000 3.722 ( 0.000 0.000 0.000) 0.000 4.119 ( 0.000 0.000 0.000) 0.000 4.119 ( 0.000 0.000 0.000) 0.000 4.406 ( 0.000 0.000 0.000) 0.000 4.406 ( 0.000 0.000 0.000) 0.000 4.608 ( 0.000 0.000 -0.000) 0.000 4.608 ( 0.000 0.000 0.000) 0.000 4.730 ( 0.000 0.000 0.000) 0.000 4.730 ( 0.000 0.000 0.000) 0.000 5.040 ( 0.000 0.000 0.000) 0.000 5.040 ( 0.000 0.000 0.000) 0.000 5.286 ( -0.000 0.000 0.000) 0.000 5.286 ( 0.000 0.000 0.000) 0.000 5.408 ( 0.000 0.000 0.000) 0.000 5.408 ( 0.000 0.000 0.000) 0.000 5.434 ( 0.000 0.000 -0.000) 0.000 5.434 ( 0.000 0.000 0.000) 0.000 5.710 ( 0.000 0.000 -0.000) 0.000 5.710 ( 0.000 0.000 0.000) 0.000 5.812 ( 0.000 0.000 0.000) 0.000 5.812 ( 0.000 0.000 0.000) 0.000 6.042 ( -0.000 0.000 0.000) 0.000 6.042 ( 0.000 0.000 0.000) 0.000 6.088 ( 0.000 0.000 -0.000) 0.000 6.088 ( -0.000 0.000 0.000) 0.000 6.261 ( 0.000 0.000 0.000) 0.000 6.261 ( 0.000 0.000 0.000) 0.000 6.839 ( 0.000 0.000 -0.000) 0.000 6.839 ( 0.000 0.000 0.000) 0.000 7.029 ( 0.000 0.000 0.000) 0.000 7.029 ( 0.000 0.000 0.000) 0.000 7.226 ( -0.000 0.000 0.000) 0.000 7.226 ( 0.000 0.000 0.000) 0.000 7.274 ( -0.000 0.000 0.000) 0.000 7.274 ( 0.000 0.000 0.000) 0.000 7.503 ( 0.000 0.000 0.000) 0.000 7.503 ( 0.000 0.000 0.000) 0.000 7.986 ( 0.000 0.000 -0.000) 0.000 7.986 ( 0.000 0.000 0.000) 0.000 8.178 ( 0.000 0.000 0.000) 0.000 8.178 ( 0.000 0.000 0.000) 0.000 8.317 ( -0.000 0.000 -0.000) 0.000 8.317 ( 0.000 0.000 0.000) 0.000 8.487 ( 0.000 0.000 -0.000) 0.000 8.487 ( 0.000 0.000 0.000) 0.000 8.878 ( 0.000 0.000 -0.000) 0.000 8.878 ( 0.000 0.000 0.000) 0.000 8.952 ( -0.000 0.000 -0.000) 0.000 8.952 ( -0.000 0.000 0.000) 0.000 9.172 ( 0.000 0.000 0.000) 0.000 9.172 ( 0.000 0.000 0.000) 0.000 9.419 ( 0.000 0.000 0.000) 0.000 9.419 ( 0.000 0.000 0.000) 0.000 10.372 ( 0.000 0.000 0.000) 0.000 10.372 ( 0.000 0.000 0.000) 0.000 10.731 ( 0.000 0.000 0.000) 0.000 10.731 ( 0.000 0.000 0.000) 0.000 11.837 ( -0.000 0.000 -0.000) 0.000 11.837 ( -0.000 0.000 0.000) 0.000 11.979 ( 0.000 0.000 0.000) 0.000 11.979 ( 0.000 0.000 0.000) 0.000 11.985 ( 0.000 0.000 -0.000) 0.000 11.985 ( 0.000 0.000 0.000) 0.000 11.991 ( 0.000 0.000 -0.000) 0.000 11.991 ( 0.000 0.000 0.000) 0.000 12.659 ( -0.000 0.000 -0.000) 0.000 12.659 ( 0.000 0.000 0.000) 0.000 12.926 ( 0.000 0.000 0.000) 0.000 12.926 ( 0.000 0.000 0.000) 0.000 13.587 ( 0.000 0.000 0.000) 0.000 13.587 ( 0.000 0.000 0.000) 0.000 14.266 ( -0.000 0.000 0.000) 0.000 14.266 ( 0.000 0.000 0.000) 0.000 14.272 ( -0.000 0.000 0.000) 0.000 14.272 ( 0.000 0.000 0.000) 0.000 14.737 ( 0.000 0.000 0.000) 0.000 14.737 ( 0.000 0.000 0.000) 0.000 15.050 ( 0.000 0.000 -0.000) 0.000 15.050 ( 0.000 0.000 0.000) 0.000 15.306 ( -0.000 0.000 0.000) 0.000 15.306 ( 0.000 0.000 0.000) 0.000 15.484 ( -0.000 0.000 0.000) 0.000 15.484 ( 0.000 0.000 0.000) 0.000 15.557 ( 0.000 0.000 0.000) 0.000 15.557 ( 0.000 0.000 0.000) 0.000 15.729 ( -0.000 0.000 0.000) 0.000 15.729 ( 0.000 0.000 0.000) 0.000 17.434 ( 0.000 0.000 0.000) 0.000 17.434 ( 0.000 0.000 0.000) 0.000 18.132 ( 0.000 0.000 -0.000) 0.000 18.132 ( 0.000 0.000 0.000) 0.000 18.208 ( 0.000 0.000 0.000) 0.000 18.208 ( 0.000 0.000 0.000) 0.000 24.556 ( -0.000 0.000 0.000) 0.000 24.556 ( 0.000 0.000 0.000) 0.000 24.658 ( 0.000 0.000 -0.000) 0.000 24.658 ( 0.000 0.000 0.000) 0.000 26.534 ( 0.000 0.000 -0.000) 0.000 26.534 ( 0.000 0.000 0.000) 0.000 26.671 ( 0.000 0.000 0.000) 0.000 26.671 ( 0.000 0.000 0.000) 0.000 28.244 ( -0.000 0.000 0.000) 0.000 28.244 ( 0.000 0.000 0.000) 0.000 28.346 ( 0.000 0.000 -0.000) 0.000 28.346 ( 0.000 0.000 0.000) 0.000 28.368 ( -0.000 0.000 -0.000) 0.000 28.368 ( -0.000 0.000 0.000) 0.000 28.456 ( 0.000 0.000 0.000) 0.000 28.456 ( 0.000 0.000 0.000) 0.000 28.714 ( 0.000 0.000 -0.000) 0.000 28.714 ( 0.000 0.000 0.000) 0.000 29.322 ( 0.000 0.000 0.000) 0.000 29.322 ( 0.000 0.000 0.000) 0.000 29.491 ( -0.000 0.000 0.000) 0.000 29.491 ( 0.000 0.000 0.000) 0.000 29.966 ( 0.000 0.000 0.000) 0.000 29.966 ( 0.000 0.000 0.000) 0.000 30.458 ( 0.000 0.000 0.000) 0.000 30.458 ( 0.000 0.000 0.000) 0.000 30.915 ( 0.000 0.000 0.000) 0.000 30.915 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 185 (64/72) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 0.000 20.864 -5.373) 21.545 2.254 ( 0.000 20.864 5.373) 21.545 2.986 ( 0.000 -1.609 -10.092) 10.219 2.986 ( 0.000 -1.609 10.092) 10.219 3.136 ( 0.000 3.011 -0.035) 3.011 3.136 ( 0.000 3.011 0.035) 3.011 3.591 ( 0.000 2.899 -5.708) 6.402 3.591 ( 0.000 2.899 5.708) 6.402 3.604 ( 0.000 -7.578 -14.542) 16.398 3.604 ( 0.000 -7.578 14.542) 16.398 3.840 ( 0.000 -7.506 -0.011) 7.506 3.840 ( 0.000 -7.506 0.011) 7.506 3.993 ( 0.000 2.573 -19.015) 19.188 3.993 ( 0.000 2.573 19.015) 19.188 4.372 ( 0.000 1.496 -11.441) 11.538 4.372 ( 0.000 1.496 11.441) 11.538 4.662 ( 0.000 -0.792 -0.378) 0.877 4.662 ( 0.000 -0.792 0.378) 0.877 4.841 ( 0.000 6.058 -2.796) 6.672 4.841 ( 0.000 6.058 2.796) 6.672 4.959 ( 0.000 3.212 -7.838) 8.471 4.959 ( 0.000 3.212 7.838) 8.471 5.126 ( 0.000 7.096 -1.619) 7.278 5.126 ( 0.000 7.096 1.619) 7.278 5.415 ( 0.000 -0.167 -5.576) 5.578 5.415 ( 0.000 -0.167 5.576) 5.578 5.531 ( 0.000 -3.773 -1.934) 4.240 5.531 ( 0.000 -3.773 1.934) 4.240 5.715 ( 0.000 -6.208 -3.643) 7.198 5.715 ( 0.000 -6.208 3.643) 7.198 5.858 ( 0.000 -0.908 -3.527) 3.642 5.858 ( 0.000 -0.908 3.527) 3.642 6.066 ( 0.000 -0.341 -0.088) 0.352 6.066 ( 0.000 -0.341 0.088) 0.352 6.137 ( 0.000 1.863 -2.394) 3.033 6.137 ( 0.000 1.863 2.394) 3.033 6.335 ( 0.000 5.421 -0.372) 5.433 6.335 ( 0.000 5.421 0.372) 5.433 6.738 ( 0.000 -1.861 -6.290) 6.559 6.738 ( 0.000 -1.861 6.290) 6.559 7.029 ( 0.000 -5.012 -0.853) 5.084 7.029 ( 0.000 -5.012 0.853) 5.084 7.176 ( 0.000 -0.690 -0.025) 0.691 7.176 ( 0.000 -0.690 0.025) 0.691 7.333 ( 0.000 0.649 -3.684) 3.741 7.333 ( 0.000 0.649 3.684) 3.741 7.440 ( 0.000 1.218 -4.205) 4.377 7.440 ( 0.000 1.218 4.205) 4.377 7.863 ( 0.000 -2.404 -5.428) 5.937 7.863 ( 0.000 -2.404 5.428) 5.937 8.249 ( 0.000 5.414 -0.257) 5.420 8.249 ( 0.000 5.414 0.257) 5.420 8.300 ( 0.000 -5.597 -0.219) 5.602 8.300 ( 0.000 -5.597 0.219) 5.602 8.562 ( 0.000 4.733 -4.678) 6.655 8.562 ( 0.000 4.733 4.678) 6.655 8.819 ( 0.000 -0.605 -3.486) 3.538 8.819 ( 0.000 -0.605 3.486) 3.538 8.993 ( 0.000 -2.451 -14.988) 15.187 8.993 ( 0.000 -2.451 14.988) 15.187 9.288 ( 0.000 0.586 -4.107) 4.148 9.288 ( 0.000 0.586 4.107) 4.148 9.401 ( 0.000 1.154 -4.505) 4.650 9.401 ( 0.000 1.154 4.505) 4.650 10.406 ( 0.000 1.961 -2.605) 3.260 10.406 ( 0.000 1.961 2.605) 3.260 10.697 ( 0.000 -1.899 -0.915) 2.108 10.697 ( 0.000 -1.899 0.915) 2.108 11.447 ( 0.000 -9.556 -0.290) 9.560 11.447 ( 0.000 -9.556 0.290) 9.560 11.953 ( 0.000 -3.115 -0.403) 3.141 11.953 ( 0.000 -3.115 0.403) 3.141 12.121 ( 0.000 9.000 -1.192) 9.078 12.121 ( 0.000 9.000 1.192) 9.078 12.316 ( 0.000 -5.493 -7.572) 9.354 12.316 ( 0.000 -5.493 7.572) 9.354 12.438 ( 0.000 2.556 -1.190) 2.820 12.438 ( 0.000 2.556 1.190) 2.820 12.893 ( 0.000 -5.182 -1.428) 5.375 12.893 ( 0.000 -5.182 1.428) 5.375 13.649 ( 0.000 6.021 -0.831) 6.078 13.649 ( 0.000 6.021 0.831) 6.078 14.299 ( 0.000 1.602 -2.241) 2.755 14.299 ( 0.000 1.602 2.241) 2.755 14.313 ( 0.000 2.321 -2.307) 3.272 14.313 ( 0.000 2.321 2.307) 3.272 14.662 ( 0.000 -8.040 -2.598) 8.449 14.662 ( 0.000 -8.040 2.598) 8.449 15.024 ( 0.000 -0.267 -8.128) 8.133 15.024 ( 0.000 -0.267 8.128) 8.133 15.204 ( 0.000 2.224 -4.552) 5.066 15.204 ( 0.000 2.224 4.552) 5.066 15.467 ( 0.000 -1.497 -3.554) 3.857 15.467 ( 0.000 -1.497 3.554) 3.857 15.618 ( 0.000 -4.338 -10.554) 11.410 15.618 ( 0.000 -4.338 10.554) 11.410 15.966 ( 0.000 18.905 -5.645) 19.730 15.966 ( 0.000 18.905 5.645) 19.730 17.356 ( 0.000 -7.462 -5.458) 9.245 17.356 ( 0.000 -7.462 5.458) 9.245 18.152 ( 0.000 -0.772 -6.094) 6.143 18.152 ( 0.000 -0.772 6.094) 6.143 18.172 ( 0.000 0.608 -3.333) 3.388 18.172 ( 0.000 0.608 3.333) 3.388 24.522 ( 0.000 0.021 -1.445) 1.445 24.522 ( 0.000 0.021 1.445) 1.445 24.681 ( 0.000 -1.311 -0.695) 1.484 24.681 ( 0.000 -1.311 0.695) 1.484 26.527 ( 0.000 -0.485 -1.173) 1.269 26.527 ( 0.000 -0.485 1.173) 1.269 26.654 ( 0.000 -1.685 -1.561) 2.297 26.654 ( 0.000 -1.685 1.561) 2.297 28.196 ( 0.000 -0.207 -2.620) 2.628 28.196 ( 0.000 -0.207 2.620) 2.628 28.335 ( 0.000 2.806 -1.542) 3.202 28.335 ( 0.000 2.806 1.542) 3.202 28.444 ( 0.000 0.405 -0.963) 1.044 28.444 ( 0.000 0.405 0.963) 1.044 28.566 ( 0.000 3.450 -5.169) 6.215 28.566 ( 0.000 3.450 5.169) 6.215 28.715 ( 0.000 5.358 -5.934) 7.995 28.715 ( 0.000 5.358 5.934) 7.995 29.291 ( 0.000 -1.165 -1.389) 1.813 29.291 ( 0.000 -1.165 1.389) 1.813 29.557 ( 0.000 5.239 -7.378) 9.049 29.557 ( 0.000 5.239 7.378) 9.049 29.976 ( 0.000 0.517 -0.842) 0.988 29.976 ( 0.000 0.517 0.842) 0.988 30.454 ( 0.000 -4.518 -4.462) 6.350 30.454 ( 0.000 -4.518 4.462) 6.350 30.768 ( 0.000 -10.116 -9.504) 13.880 30.768 ( 0.000 -10.116 9.504) 13.880 ======================= Grid point 187 (65/72) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 0.037 20.697 -3.763) 21.037 2.255 ( 0.037 20.697 3.763) 21.037 2.966 ( -1.396 -4.270 -6.598) 7.982 2.966 ( -1.396 -4.270 6.598) 7.982 3.171 ( 2.673 3.371 -2.859) 5.165 3.171 ( 2.673 3.371 2.859) 5.165 3.552 ( -2.762 -0.227 -4.622) 5.390 3.552 ( -2.762 -0.227 4.622) 5.390 3.621 ( 2.697 -1.413 -6.561) 7.233 3.621 ( 2.697 -1.413 6.561) 7.233 3.897 ( -4.520 -3.985 -3.231) 6.837 3.897 ( -4.520 -3.985 3.232) 6.837 3.933 ( 2.814 0.308 -16.497) 16.738 3.933 ( 2.814 0.308 16.497) 16.738 4.406 ( 2.516 1.305 -8.278) 8.750 4.406 ( 2.516 1.305 8.278) 8.750 4.668 ( 0.878 -1.108 -6.811) 6.956 4.668 ( 0.878 -1.108 6.811) 6.956 4.768 ( -4.287 4.532 -3.256) 7.037 4.768 ( -4.287 4.532 3.256) 7.037 5.003 ( 0.954 1.841 -3.483) 4.054 5.003 ( 0.954 1.841 3.483) 4.054 5.214 ( 8.919 6.401 -1.863) 11.135 5.214 ( 8.919 6.401 1.863) 11.135 5.408 ( -1.140 -1.235 -3.703) 4.066 5.408 ( -1.140 -1.235 3.703) 4.066 5.482 ( -4.195 -4.815 -5.503) 8.430 5.482 ( -4.195 -4.815 5.503) 8.430 5.725 ( 0.594 -2.810 -2.967) 4.129 5.725 ( 0.594 -2.810 2.967) 4.129 5.839 ( -0.886 2.097 -2.730) 3.555 5.839 ( -0.886 2.097 2.730) 3.555 6.083 ( -3.851 0.740 -1.075) 4.066 6.083 ( -3.851 0.740 1.075) 4.066 6.135 ( 2.538 2.017 -2.165) 3.898 6.135 ( 2.538 2.017 2.165) 3.898 6.258 ( -3.543 2.577 -3.634) 5.692 6.258 ( -3.543 2.577 3.634) 5.692 6.765 ( 0.291 -5.410 -7.674) 9.394 6.765 ( 0.291 -5.410 7.674) 9.394 7.000 ( -1.358 -2.833 -2.983) 4.332 7.000 ( -1.358 -2.833 2.983) 4.332 7.218 ( 3.377 1.414 -0.877) 3.764 7.218 ( 3.377 1.414 0.877) 3.764 7.325 ( -1.019 0.774 -1.916) 2.304 7.325 ( -1.019 0.774 1.916) 2.304 7.447 ( 0.777 -1.594 -4.959) 5.267 7.447 ( 0.777 -1.594 4.959) 5.267 7.901 ( 3.580 -2.106 -3.373) 5.350 7.901 ( 3.580 -2.106 3.373) 5.350 8.248 ( -0.196 2.900 -1.085) 3.102 8.248 ( -0.196 2.900 1.085) 3.102 8.287 ( -1.477 -2.470 -2.918) 4.099 8.287 ( -1.477 -2.470 2.918) 4.099 8.554 ( -0.741 4.389 -3.129) 5.441 8.554 ( -0.741 4.389 3.129) 5.441 8.838 ( 2.003 -0.622 -6.348) 6.685 8.838 ( 2.003 -0.622 6.348) 6.685 8.967 ( -2.341 -2.196 -13.289) 13.671 8.967 ( -2.341 -2.196 13.289) 13.671 9.244 ( -3.321 2.318 -3.184) 5.152 9.244 ( -3.321 2.318 3.184) 5.152 9.415 ( 0.755 0.352 -3.527) 3.624 9.415 ( 0.755 0.352 3.527) 3.624 10.400 ( -0.464 2.100 -1.804) 2.807 10.400 ( -0.464 2.100 1.804) 2.807 10.707 ( 0.802 -1.777 -0.849) 2.126 10.707 ( 0.802 -1.777 0.849) 2.126 11.531 ( 8.763 -9.670 -2.964) 13.382 11.531 ( 8.763 -9.670 2.964) 13.382 11.932 ( -4.665 -4.878 -3.851) 7.771 11.932 ( -4.665 -4.878 3.851) 7.771 12.069 ( -3.707 2.309 -1.484) 4.613 12.069 ( -3.707 2.309 1.484) 4.613 12.200 ( -5.585 3.503 -3.097) 7.284 12.200 ( -5.585 3.503 3.097) 7.284 12.581 ( 9.222 1.637 -0.677) 9.390 12.581 ( 9.222 1.637 0.677) 9.390 12.880 ( -1.711 -5.587 -1.861) 6.133 12.880 ( -1.711 -5.587 1.861) 6.133 13.658 ( 0.710 6.688 -0.798) 6.773 13.658 ( 0.710 6.688 0.798) 6.773 14.282 ( -1.448 1.227 -2.350) 3.021 14.282 ( -1.448 1.227 2.350) 3.021 14.293 ( -1.614 0.506 -1.383) 2.185 14.293 ( -1.614 0.506 1.383) 2.185 14.664 ( 0.258 -6.599 -1.715) 6.823 14.664 ( 0.258 -6.599 1.715) 6.823 15.051 ( 2.213 1.049 -5.902) 6.390 15.051 ( 2.213 1.049 5.902) 6.390 15.216 ( 1.029 0.649 -3.346) 3.560 15.216 ( 1.029 0.649 3.346) 3.560 15.488 ( 2.447 -1.318 -2.171) 3.527 15.488 ( 2.447 -1.318 2.171) 3.527 15.605 ( -1.510 -4.187 -6.600) 7.961 15.605 ( -1.510 -4.187 6.600) 7.961 15.933 ( -2.954 19.186 -4.581) 19.945 15.933 ( -2.954 19.186 4.581) 19.945 17.353 ( -0.216 -7.667 -3.858) 8.585 17.353 ( -0.216 -7.667 3.858) 8.585 18.145 ( -0.384 0.307 -3.161) 3.199 18.145 ( -0.384 0.307 3.161) 3.199 18.188 ( 1.100 -0.386 -3.454) 3.645 18.188 ( 1.100 -0.386 3.454) 3.645 24.536 ( 1.382 -0.015 -1.123) 1.781 24.536 ( 1.382 -0.015 1.123) 1.781 24.665 ( -1.530 -1.291 -0.512) 2.066 24.665 ( -1.530 -1.291 0.512) 2.066 26.529 ( 0.157 -0.359 -0.848) 0.934 26.529 ( 0.157 -0.359 0.848) 0.934 26.653 ( -0.129 -1.759 -1.127) 2.094 26.653 ( -0.129 -1.759 1.127) 2.094 28.221 ( 2.453 0.169 -2.175) 3.283 28.221 ( 2.453 0.169 2.175) 3.283 28.338 ( 0.003 1.741 -1.335) 2.194 28.338 ( 0.003 1.741 1.335) 2.194 28.423 ( -1.632 1.582 -0.583) 2.346 28.423 ( -1.632 1.582 0.583) 2.346 28.531 ( -2.865 3.166 -2.807) 5.110 28.531 ( -2.865 3.166 2.807) 5.110 28.747 ( 2.344 5.362 -4.203) 7.204 28.747 ( 2.344 5.362 4.203) 7.204 29.288 ( -0.297 -2.140 -1.070) 2.411 29.288 ( -0.297 -2.140 1.070) 2.411 29.560 ( 0.269 5.815 -5.009) 7.680 29.560 ( 0.269 5.815 5.009) 7.680 29.974 ( -0.153 0.562 -0.713) 0.921 29.974 ( -0.153 0.562 0.713) 0.921 30.433 ( -1.699 -4.256 -2.525) 5.232 30.433 ( -1.699 -4.256 2.525) 5.232 30.787 ( 1.513 -10.244 -6.141) 12.039 30.787 ( 1.513 -10.244 6.141) 12.039 ======================= Grid point 189 (66/72) ======================= q-point: (-0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 0.000 20.537 0.000) 20.537 2.255 ( 0.000 20.537 0.000) 20.537 2.952 ( 0.000 -6.392 0.000) 6.392 2.952 ( 0.000 -6.392 0.000) 6.392 3.199 ( 0.000 2.868 0.000) 2.868 3.199 ( 0.000 2.868 0.000) 2.868 3.523 ( 0.000 1.464 0.000) 1.464 3.523 ( 0.000 1.464 0.000) 1.464 3.697 ( 0.000 -4.259 -0.000) 4.259 3.697 ( 0.000 -4.259 0.000) 4.259 3.770 ( -0.000 7.910 -0.000) 7.910 3.770 ( -0.000 7.910 0.000) 7.910 3.997 ( 0.000 -6.101 -0.000) 6.101 3.997 ( 0.000 -6.101 0.000) 6.101 4.430 ( 0.000 1.121 0.000) 1.121 4.430 ( 0.000 1.120 0.000) 1.120 4.702 ( 0.000 5.530 -0.000) 5.530 4.702 ( -0.000 5.530 0.001) 5.530 4.706 ( 0.000 -3.102 -0.001) 3.102 4.706 ( 0.000 -3.102 0.000) 3.102 5.007 ( 0.000 0.633 0.000) 0.633 5.007 ( 0.000 0.633 0.000) 0.633 5.343 ( -0.000 -3.450 0.000) 3.450 5.343 ( 0.000 -3.450 0.000) 3.450 5.363 ( 0.000 2.867 0.000) 2.867 5.363 ( 0.000 2.867 0.000) 2.867 5.450 ( -0.000 -1.566 -0.000) 1.566 5.450 ( 0.000 -1.566 0.000) 1.566 5.703 ( 0.000 1.297 0.000) 1.297 5.703 ( 0.000 1.297 0.000) 1.297 5.855 ( 0.000 4.498 0.000) 4.498 5.855 ( 0.000 4.498 0.000) 4.498 6.023 ( 0.000 0.304 0.000) 0.304 6.023 ( -0.000 0.304 0.000) 0.304 6.124 ( -0.000 1.696 -0.000) 1.696 6.124 ( 0.000 1.696 0.000) 1.696 6.272 ( 0.000 0.957 0.000) 0.957 6.272 ( 0.000 0.957 0.000) 0.957 6.747 ( 0.000 -7.909 0.000) 7.909 6.747 ( 0.000 -7.909 0.000) 7.909 6.995 ( 0.000 -2.191 0.000) 2.191 6.995 ( 0.000 -2.191 0.000) 2.191 7.273 ( -0.000 3.669 -0.000) 3.669 7.273 ( 0.000 3.669 -0.000) 3.669 7.293 ( -0.000 0.341 0.000) 0.341 7.293 ( 0.000 0.341 0.000) 0.341 7.459 ( 0.000 -3.753 0.000) 3.753 7.459 ( 0.000 -3.753 0.000) 3.753 7.948 ( 0.000 -1.917 -0.000) 1.917 7.948 ( 0.000 -1.917 0.000) 1.917 8.241 ( -0.000 -5.890 0.000) 5.890 8.241 ( 0.000 -5.890 0.000) 5.890 8.267 ( 0.000 7.063 0.000) 7.063 8.267 ( 0.000 7.063 0.000) 7.063 8.545 ( 0.000 3.871 -0.000) 3.871 8.545 ( 0.000 3.871 0.000) 3.871 8.870 ( 0.000 -0.692 -0.000) 0.692 8.870 ( 0.000 -0.692 0.000) 0.692 8.934 ( -0.000 -1.709 -0.000) 1.709 8.934 ( -0.000 -1.709 0.000) 1.709 9.208 ( 0.000 3.307 0.000) 3.307 9.208 ( 0.000 3.307 0.000) 3.307 9.421 ( 0.000 0.102 0.000) 0.102 9.421 ( 0.000 0.102 0.000) 0.102 10.395 ( 0.000 2.222 0.000) 2.222 10.395 ( 0.000 2.222 0.000) 2.222 10.715 ( 0.000 -1.596 0.000) 1.596 10.715 ( 0.000 -1.596 0.000) 1.596 11.721 ( 0.000 -7.919 -0.000) 7.919 11.721 ( 0.000 -7.919 0.000) 7.919 11.764 ( -0.000 -11.064 0.000) 11.064 11.764 ( -0.000 -11.064 0.000) 11.064 12.052 ( 0.000 3.570 0.000) 3.570 12.052 ( -0.000 3.570 0.000) 3.570 12.148 ( -0.000 5.546 0.000) 5.546 12.148 ( 0.000 5.546 0.000) 5.546 12.691 ( -0.000 2.575 -0.000) 2.575 12.691 ( 0.000 2.575 0.000) 2.575 12.845 ( 0.000 -6.245 0.000) 6.245 12.845 ( 0.000 -6.245 0.000) 6.245 13.666 ( 0.000 7.428 0.000) 7.428 13.666 ( 0.000 7.428 0.000) 7.428 14.266 ( 0.000 -0.954 -0.000) 0.954 14.266 ( 0.000 -0.954 0.000) 0.954 14.274 ( 0.000 0.566 0.000) 0.566 14.274 ( 0.000 0.566 0.000) 0.566 14.668 ( 0.000 -5.294 0.000) 5.294 14.668 ( 0.000 -5.294 0.000) 5.294 15.076 ( 0.000 2.314 0.000) 2.314 15.076 ( 0.000 2.314 0.000) 2.314 15.227 ( -0.000 -0.935 0.000) 0.935 15.227 ( 0.000 -0.935 0.000) 0.935 15.540 ( -0.000 -1.690 0.000) 1.690 15.540 ( 0.000 -1.690 0.000) 1.690 15.567 ( 0.000 -3.452 -0.000) 3.452 15.567 ( -0.000 -3.452 0.000) 3.452 15.897 ( -0.000 19.442 0.000) 19.442 15.897 ( 0.000 19.442 0.000) 19.442 17.351 ( 0.000 -7.867 0.000) 7.867 17.351 ( 0.000 -7.867 0.000) 7.867 18.141 ( 0.000 0.743 -0.000) 0.743 18.141 ( 0.000 0.743 0.000) 0.743 18.200 ( 0.000 -0.739 0.000) 0.739 18.200 ( 0.000 -0.739 0.000) 0.739 24.556 ( 0.000 -0.005 0.000) 0.005 24.556 ( 0.000 -0.005 0.000) 0.005 24.644 ( 0.000 -1.317 -0.000) 1.317 24.644 ( 0.000 -1.317 0.000) 1.317 26.530 ( 0.000 -0.231 -0.000) 0.231 26.530 ( 0.000 -0.231 0.000) 0.231 26.651 ( 0.000 -1.837 0.000) 1.837 26.651 ( 0.000 -1.837 0.000) 1.837 28.257 ( -0.000 1.250 0.000) 1.250 28.257 ( 0.000 1.250 0.000) 1.250 28.328 ( 0.000 -0.909 0.000) 0.909 28.328 ( 0.000 -0.909 0.000) 0.909 28.410 ( 0.000 3.655 -0.000) 3.655 28.410 ( -0.000 3.655 0.000) 3.655 28.496 ( 0.000 2.823 0.000) 2.823 28.496 ( 0.000 2.823 0.000) 2.823 28.772 ( 0.000 5.411 -0.000) 5.411 28.772 ( 0.000 5.411 0.000) 5.411 29.284 ( 0.000 -3.082 0.000) 3.082 29.284 ( 0.000 -3.082 0.000) 3.082 29.563 ( -0.000 6.366 0.000) 6.366 29.563 ( 0.000 6.366 0.000) 6.366 29.972 ( 0.000 0.581 0.000) 0.581 29.972 ( 0.000 0.581 0.000) 0.581 30.414 ( 0.000 -3.973 0.000) 3.973 30.414 ( 0.000 -3.973 0.000) 3.973 30.804 ( 0.000 -10.375 0.000) 10.375 30.804 ( 0.000 -10.375 0.000) 10.375 ======================= Grid point 195 (67/72) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 0.000 20.618 -12.915) 24.329 2.717 ( 0.000 20.618 12.915) 24.329 2.984 ( 0.000 1.697 -7.239) 7.436 2.984 ( 0.000 1.697 7.239) 7.436 3.151 ( 0.000 -2.061 -6.995) 7.292 3.151 ( 0.000 -2.061 6.995) 7.292 3.457 ( 0.000 -7.439 -16.134) 17.766 3.457 ( 0.000 -7.439 16.134) 17.766 3.665 ( 0.000 3.918 -10.684) 11.379 3.665 ( 0.000 3.918 10.684) 11.379 3.729 ( 0.000 -1.560 -6.929) 7.102 3.729 ( 0.000 -1.560 6.929) 7.102 3.993 ( 0.000 -1.466 -13.650) 13.729 3.993 ( 0.000 -1.466 13.650) 13.729 4.401 ( 0.000 0.865 -12.576) 12.605 4.401 ( 0.000 0.865 12.576) 12.605 4.653 ( 0.000 1.115 -3.832) 3.991 4.653 ( 0.000 1.115 3.832) 3.991 4.941 ( 0.000 2.956 -3.858) 4.860 4.941 ( 0.000 2.956 3.858) 4.860 5.054 ( 0.000 1.325 -0.250) 1.348 5.054 ( 0.000 1.325 0.250) 1.348 5.243 ( 0.000 2.341 -2.149) 3.178 5.243 ( 0.000 2.341 2.149) 3.178 5.385 ( 0.000 1.092 -2.462) 2.693 5.385 ( 0.000 1.092 2.462) 2.693 5.495 ( 0.000 -2.126 -0.628) 2.217 5.495 ( 0.000 -2.126 0.628) 2.217 5.613 ( 0.000 0.044 -1.922) 1.923 5.613 ( 0.000 0.044 1.922) 1.923 5.849 ( 0.000 0.084 -2.254) 2.255 5.849 ( 0.000 0.084 2.254) 2.255 6.051 ( 0.000 -1.032 -0.216) 1.055 6.051 ( 0.000 -1.032 0.216) 1.055 6.187 ( 0.000 1.275 -1.127) 1.702 6.187 ( 0.000 1.275 1.127) 1.702 6.389 ( 0.000 0.285 -1.351) 1.380 6.389 ( 0.000 0.285 1.351) 1.380 6.698 ( 0.000 -1.855 -0.358) 1.889 6.698 ( 0.000 -1.855 0.358) 1.889 6.946 ( 0.000 -2.661 -1.326) 2.974 6.946 ( 0.000 -2.661 1.326) 2.974 7.125 ( 0.000 -2.790 -0.757) 2.891 7.125 ( 0.000 -2.790 0.757) 2.891 7.378 ( 0.000 3.087 -6.859) 7.521 7.378 ( 0.000 3.087 6.859) 7.521 7.459 ( 0.000 0.234 -5.444) 5.449 7.459 ( 0.000 0.234 5.444) 5.449 7.822 ( 0.000 -1.425 -3.932) 4.182 7.822 ( 0.000 -1.425 3.932) 4.182 8.171 ( 0.000 -5.036 -0.415) 5.054 8.171 ( 0.000 -5.036 0.415) 5.054 8.399 ( 0.000 7.061 -0.590) 7.086 8.399 ( 0.000 7.061 0.590) 7.086 8.625 ( 0.000 0.915 -1.149) 1.469 8.625 ( 0.000 0.915 1.149) 1.469 8.800 ( 0.000 -1.029 -3.755) 3.893 8.800 ( 0.000 -1.029 3.755) 3.893 8.938 ( 0.000 -2.376 -8.318) 8.651 8.938 ( 0.000 -2.376 8.318) 8.651 9.305 ( 0.000 0.939 -1.770) 2.004 9.305 ( 0.000 0.939 1.770) 2.004 9.428 ( 0.000 1.229 -2.772) 3.032 9.428 ( 0.000 1.229 2.772) 3.032 10.467 ( 0.000 3.934 -0.838) 4.023 10.467 ( 0.000 3.934 0.838) 4.023 10.642 ( 0.000 -3.408 -0.021) 3.408 10.642 ( 0.000 -3.408 0.021) 3.408 11.274 ( 0.000 -6.477 -0.620) 6.507 11.274 ( 0.000 -6.477 0.620) 6.507 11.876 ( 0.000 -3.745 -0.712) 3.812 11.876 ( 0.000 -3.745 0.712) 3.812 12.170 ( 0.000 -5.243 -4.391) 6.839 12.170 ( 0.000 -5.243 4.391) 6.839 12.267 ( 0.000 3.602 -0.059) 3.602 12.267 ( 0.000 3.602 0.059) 3.602 12.507 ( 0.000 2.210 -0.307) 2.231 12.507 ( 0.000 2.210 0.307) 2.231 12.833 ( 0.000 -0.043 -1.290) 1.291 12.833 ( 0.000 -0.043 1.290) 1.291 13.763 ( 0.000 4.241 -0.776) 4.312 13.763 ( 0.000 4.241 0.776) 4.312 14.317 ( 0.000 -0.565 -0.301) 0.640 14.317 ( 0.000 -0.565 0.301) 0.640 14.372 ( 0.000 3.549 -1.466) 3.840 14.372 ( 0.000 3.549 1.466) 3.840 14.529 ( 0.000 -4.004 -0.931) 4.111 14.529 ( 0.000 -4.004 0.931) 4.111 15.029 ( 0.000 0.662 -6.777) 6.809 15.029 ( 0.000 0.662 6.777) 6.809 15.247 ( 0.000 1.715 -2.367) 2.923 15.247 ( 0.000 1.715 2.367) 2.923 15.445 ( 0.000 -0.830 -1.892) 2.066 15.445 ( 0.000 -0.830 1.892) 2.066 15.509 ( 0.000 -5.279 -12.902) 13.940 15.509 ( 0.000 -5.279 12.902) 13.940 16.387 ( 0.000 20.578 -2.600) 20.742 16.387 ( 0.000 20.578 2.600) 20.742 17.143 ( 0.000 -12.838 -2.688) 13.117 17.143 ( 0.000 -12.838 2.688) 13.117 18.122 ( 0.000 -1.451 -2.521) 2.908 18.122 ( 0.000 -1.451 2.521) 2.908 18.195 ( 0.000 1.017 -0.820) 1.306 18.195 ( 0.000 1.017 0.820) 1.306 24.523 ( 0.000 0.139 -0.808) 0.820 24.523 ( 0.000 0.139 0.808) 0.820 24.650 ( 0.000 -1.426 -0.374) 1.475 24.650 ( 0.000 -1.426 0.374) 1.475 26.519 ( 0.000 -0.170 -1.001) 1.015 26.519 ( 0.000 -0.170 1.001) 1.015 26.615 ( 0.000 -1.851 -0.581) 1.940 26.615 ( 0.000 -1.851 0.581) 1.940 28.197 ( 0.000 0.275 -1.443) 1.469 28.197 ( 0.000 0.275 1.443) 1.469 28.380 ( 0.000 1.339 -1.301) 1.867 28.380 ( 0.000 1.339 1.301) 1.867 28.487 ( 0.000 3.048 -0.351) 3.068 28.487 ( 0.000 3.048 0.351) 3.068 28.619 ( 0.000 1.713 -4.715) 5.017 28.619 ( 0.000 1.713 4.715) 5.017 28.847 ( 0.000 6.219 -1.560) 6.412 28.847 ( 0.000 6.219 1.560) 6.412 29.264 ( 0.000 -1.367 -1.488) 2.021 29.264 ( 0.000 -1.367 1.488) 2.021 29.712 ( 0.000 9.547 -6.758) 11.697 29.712 ( 0.000 9.547 6.758) 11.697 29.993 ( 0.000 1.250 -1.042) 1.627 29.993 ( 0.000 1.250 1.042) 1.627 30.324 ( 0.000 -8.493 -3.124) 9.049 30.324 ( 0.000 -8.493 3.124) 9.049 30.517 ( 0.000 -11.904 -7.085) 13.852 30.517 ( 0.000 -11.904 7.085) 13.852 ======================= Grid point 197 (68/72) ======================= q-point: ( 0.25 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( -0.901 19.399 -8.823) 21.330 2.707 ( -0.901 19.399 8.823) 21.330 2.927 ( -4.083 0.652 -6.148) 7.409 2.927 ( -4.083 0.652 6.148) 7.409 3.193 ( 3.127 -1.236 -5.650) 6.575 3.193 ( 3.127 -1.236 5.650) 6.575 3.459 ( 0.097 -8.464 -11.811) 14.530 3.459 ( 0.097 -8.464 11.811) 14.530 3.661 ( -0.591 5.257 -5.009) 7.285 3.661 ( -0.591 5.257 5.009) 7.285 3.827 ( 8.658 2.524 -10.882) 14.133 3.827 ( 8.658 2.524 10.882) 14.133 3.991 ( 0.151 0.110 -19.083) 19.084 3.991 ( 0.151 0.110 19.083) 19.084 4.420 ( 1.474 0.485 -12.033) 12.133 4.420 ( 1.474 0.485 12.033) 12.133 4.605 ( -3.804 -3.039 -4.690) 6.760 4.605 ( -3.804 -3.039 4.690) 6.760 4.836 ( -7.504 0.275 -3.630) 8.340 4.836 ( -7.504 0.275 3.630) 8.340 5.088 ( 0.853 2.903 -0.214) 3.033 5.088 ( 0.853 2.903 0.214) 3.033 5.301 ( 4.792 -0.335 -1.370) 4.995 5.301 ( 4.792 -0.335 1.370) 4.995 5.340 ( -5.156 -1.998 -5.144) 7.553 5.340 ( -5.156 -1.998 5.144) 7.553 5.404 ( -3.110 -0.679 -2.669) 4.154 5.404 ( -3.110 -0.679 2.669) 4.154 5.724 ( 6.444 3.070 -1.340) 7.263 5.724 ( 6.444 3.070 1.340) 7.263 5.900 ( 5.571 3.176 -2.898) 7.037 5.900 ( 5.571 3.176 2.898) 7.037 6.088 ( 0.153 -0.109 -0.140) 0.234 6.088 ( 0.153 -0.109 0.140) 0.234 6.188 ( 2.448 1.240 -1.479) 3.118 6.188 ( 2.448 1.240 1.479) 3.118 6.298 ( -7.410 1.941 -3.300) 8.341 6.298 ( -7.410 1.941 3.300) 8.341 6.633 ( -5.612 -6.205 -2.873) 8.846 6.633 ( -5.612 -6.205 2.873) 8.846 6.974 ( 1.023 0.217 -3.395) 3.552 6.974 ( 1.023 0.217 3.395) 3.552 7.170 ( 4.065 -5.189 -1.706) 6.808 7.170 ( 4.065 -5.189 1.706) 6.808 7.361 ( -1.122 2.648 -5.371) 6.093 7.361 ( -1.122 2.648 5.371) 6.093 7.431 ( -2.436 -0.392 -4.122) 4.804 7.431 ( -2.436 -0.392 4.122) 4.804 7.874 ( 4.856 -0.482 -2.770) 5.611 7.874 ( 4.856 -0.482 2.770) 5.611 8.151 ( -2.395 -5.164 -0.839) 5.754 8.151 ( -2.395 -5.164 0.839) 5.754 8.411 ( 1.126 7.263 -0.559) 7.371 8.411 ( 1.126 7.263 0.559) 7.371 8.613 ( -1.073 0.858 -0.685) 1.535 8.613 ( -1.073 0.858 0.685) 1.535 8.819 ( 2.019 -1.002 -4.809) 5.311 8.819 ( 2.019 -1.002 4.809) 5.311 8.920 ( -1.763 -2.058 -7.733) 8.194 8.920 ( -1.763 -2.058 7.733) 8.194 9.301 ( -0.443 2.804 -2.015) 3.482 9.301 ( -0.443 2.804 2.015) 3.482 9.422 ( -0.476 0.219 -2.363) 2.421 9.422 ( -0.476 0.219 2.363) 2.421 10.465 ( -0.182 4.124 -0.659) 4.181 10.465 ( -0.182 4.124 0.659) 4.181 10.652 ( 0.806 -3.647 -0.317) 3.748 10.652 ( 0.806 -3.647 0.317) 3.748 11.355 ( 8.518 -6.634 -1.706) 10.931 11.355 ( 8.518 -6.634 1.706) 10.931 11.816 ( -10.245 -5.375 -3.390) 12.055 11.816 ( -10.245 -5.375 3.390) 12.055 12.043 ( -0.544 -2.240 -1.192) 2.595 12.043 ( -0.544 -2.240 1.192) 2.595 12.317 ( -5.499 5.469 -1.241) 7.854 12.317 ( -5.499 5.469 1.241) 7.854 12.569 ( 9.373 -3.152 -0.451) 9.899 12.569 ( 9.373 -3.152 0.452) 9.899 12.825 ( -1.850 0.607 -1.514) 2.466 12.825 ( -1.850 0.607 1.514) 2.466 13.808 ( 4.191 6.793 -1.293) 8.086 13.808 ( 4.191 6.793 1.293) 8.086 14.263 ( -5.031 -2.936 -1.088) 5.925 14.263 ( -5.031 -2.936 1.088) 5.925 14.341 ( -2.228 4.403 -1.160) 5.069 14.341 ( -2.228 4.403 1.160) 5.069 14.550 ( 1.570 -4.352 -0.282) 4.635 14.550 ( 1.570 -4.352 0.282) 4.635 15.083 ( 4.654 1.822 -5.924) 7.751 15.083 ( 4.654 1.822 5.924) 7.751 15.260 ( 1.070 2.725 -2.097) 3.601 15.260 ( 1.070 2.725 2.097) 3.601 15.436 ( -0.840 -3.557 -5.471) 6.580 15.436 ( -0.840 -3.557 5.471) 6.580 15.499 ( -0.997 -4.806 -8.912) 10.174 15.499 ( -0.997 -4.806 8.912) 10.174 16.370 ( -1.536 21.541 -2.218) 21.709 16.370 ( -1.536 21.541 2.218) 21.709 17.133 ( -0.848 -13.430 -1.969) 13.600 17.133 ( -0.848 -13.430 1.969) 13.600 18.137 ( 1.348 -0.806 -1.659) 2.284 18.137 ( 1.348 -0.806 1.659) 2.284 18.191 ( -0.462 0.465 -1.125) 1.302 18.191 ( -0.462 0.465 1.125) 1.302 24.538 ( 1.402 0.161 -0.650) 1.554 24.538 ( 1.402 0.161 0.650) 1.554 24.634 ( -1.580 -1.463 -0.278) 2.171 24.634 ( -1.580 -1.463 0.278) 2.171 26.525 ( 0.565 0.147 -0.781) 0.975 26.525 ( 0.565 0.147 0.781) 0.975 26.610 ( -0.440 -2.119 -0.485) 2.218 26.610 ( -0.440 -2.119 0.485) 2.218 28.229 ( 3.199 0.494 -1.214) 3.457 28.229 ( 3.199 0.494 1.214) 3.457 28.365 ( -1.902 0.942 -0.733) 2.246 28.365 ( -1.902 0.942 0.733) 2.246 28.485 ( 0.102 3.407 -1.096) 3.580 28.485 ( 0.102 3.407 1.096) 3.580 28.584 ( -3.049 1.776 -3.073) 4.679 28.584 ( -3.049 1.776 3.073) 4.679 28.883 ( 2.955 6.908 -1.568) 7.676 28.883 ( 2.955 6.908 1.568) 7.676 29.235 ( -2.553 -2.939 -1.391) 4.134 29.235 ( -2.553 -2.939 1.391) 4.134 29.725 ( 1.116 9.935 -4.465) 10.949 29.725 ( 1.116 9.935 4.465) 10.949 29.991 ( -0.263 1.007 -1.016) 1.454 29.991 ( -0.263 1.007 1.016) 1.454 30.320 ( -0.235 -6.520 -2.200) 6.886 30.320 ( -0.235 -6.520 2.200) 6.886 30.524 ( 0.545 -13.393 -4.838) 14.251 30.524 ( 0.545 -13.393 4.838) 14.251 ======================= Grid point 199 (69/72) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( 0.000 18.264 -0.000) 18.264 2.696 ( 0.000 18.264 0.000) 18.264 2.884 ( 0.000 0.031 -0.000) 0.031 2.884 ( 0.000 0.031 0.000) 0.031 3.230 ( 0.000 0.482 -0.000) 0.482 3.230 ( 0.000 0.482 0.000) 0.482 3.456 ( 0.000 -11.355 0.000) 11.355 3.456 ( 0.000 -11.355 0.000) 11.355 3.656 ( 0.000 7.364 -0.000) 7.364 3.656 ( 0.000 7.364 0.000) 7.364 3.918 ( 0.000 4.113 0.000) 4.113 3.918 ( -0.000 4.113 0.000) 4.113 4.012 ( 0.000 6.530 -0.000) 6.530 4.012 ( 0.000 6.530 -0.000) 6.530 4.424 ( 0.000 -1.212 0.000) 1.212 4.424 ( 0.000 -1.212 0.000) 1.212 4.580 ( 0.000 -8.481 0.000) 8.481 4.580 ( 0.000 -8.481 0.000) 8.481 4.738 ( 0.000 -2.927 -0.000) 2.927 4.738 ( 0.000 -2.927 0.000) 2.927 5.096 ( -0.000 6.216 0.000) 6.216 5.096 ( 0.000 6.216 0.000) 6.216 5.274 ( 0.000 -3.680 -0.000) 3.680 5.274 ( 0.000 -3.680 0.000) 3.680 5.351 ( 0.000 -1.825 -0.000) 1.825 5.351 ( 0.000 -1.825 0.000) 1.825 5.387 ( -0.000 -2.936 -0.000) 2.936 5.387 ( 0.000 -2.936 0.000) 2.936 5.793 ( 0.000 6.382 0.000) 6.382 5.793 ( 0.000 6.382 0.000) 6.382 6.016 ( -0.000 10.521 -0.000) 10.521 6.016 ( 0.000 10.521 -0.000) 10.521 6.027 ( -0.000 -1.843 0.000) 1.843 6.027 ( -0.000 -1.843 0.000) 1.843 6.164 ( 0.000 2.799 -0.000) 2.799 6.164 ( 0.000 2.799 0.000) 2.799 6.293 ( -0.000 0.985 0.000) 0.985 6.293 ( 0.000 0.985 0.000) 0.985 6.552 ( 0.000 -10.542 0.000) 10.542 6.552 ( -0.000 -10.542 0.000) 10.542 6.978 ( 0.000 1.177 0.000) 1.177 6.978 ( 0.000 1.177 0.000) 1.177 7.220 ( -0.000 -7.387 0.000) 7.387 7.220 ( 0.000 -7.387 0.000) 7.387 7.346 ( -0.000 3.068 0.000) 3.068 7.346 ( 0.000 3.068 0.000) 3.068 7.405 ( 0.000 -0.956 0.000) 0.956 7.405 ( -0.000 -0.956 0.000) 0.956 7.941 ( 0.000 1.244 -0.000) 1.244 7.941 ( 0.000 1.244 0.000) 1.244 8.110 ( -0.000 -6.409 0.000) 6.409 8.110 ( 0.000 -6.409 0.000) 6.409 8.425 ( 0.000 7.739 0.000) 7.739 8.425 ( 0.000 7.739 0.000) 7.739 8.600 ( 0.000 0.788 -0.000) 0.788 8.600 ( 0.000 0.788 0.000) 0.788 8.853 ( 0.000 -0.736 -0.000) 0.736 8.853 ( 0.000 -0.736 0.000) 0.736 8.891 ( -0.000 -2.218 -0.000) 2.218 8.891 ( 0.000 -2.218 0.000) 2.218 9.295 ( -0.000 4.706 0.000) 4.706 9.295 ( 0.000 4.706 0.000) 4.706 9.417 ( 0.000 -0.776 0.000) 0.776 9.417 ( 0.000 -0.776 0.000) 0.776 10.463 ( 0.000 4.313 0.000) 4.313 10.463 ( 0.000 4.313 0.000) 4.313 10.661 ( 0.000 -3.818 0.000) 3.818 10.661 ( 0.000 -3.818 0.000) 3.818 11.566 ( 0.000 -7.226 0.000) 7.226 11.566 ( 0.001 -7.226 0.000) 7.226 11.569 ( -0.001 -6.152 -0.000) 6.152 11.569 ( 0.000 -6.152 0.000) 6.152 12.108 ( -0.000 2.221 0.000) 2.221 12.108 ( -0.000 2.221 0.000) 2.221 12.199 ( -0.000 -0.487 0.000) 0.487 12.199 ( 0.000 -0.487 0.000) 0.487 12.734 ( -0.000 1.113 -0.000) 1.113 12.734 ( -0.000 1.113 0.000) 1.113 12.746 ( 0.000 -2.432 0.000) 2.432 12.746 ( 0.000 -2.432 0.000) 2.432 13.863 ( 0.000 10.631 0.000) 10.631 13.863 ( 0.000 10.631 0.000) 10.631 14.198 ( -0.000 -5.521 -0.000) 5.521 14.198 ( 0.000 -5.521 0.000) 5.521 14.318 ( -0.000 4.260 0.000) 4.260 14.318 ( 0.000 4.260 0.000) 4.260 14.567 ( 0.000 -4.781 0.000) 4.781 14.567 ( 0.000 -4.781 0.000) 4.781 15.139 ( 0.000 3.853 -0.000) 3.853 15.139 ( 0.000 3.853 0.000) 3.853 15.271 ( 0.000 3.746 0.000) 3.746 15.271 ( 0.000 3.746 0.000) 3.746 15.426 ( 0.000 -7.977 0.000) 7.977 15.426 ( 0.000 -7.977 0.000) 7.977 15.486 ( -0.000 -3.603 -0.000) 3.603 15.486 ( 0.000 -3.603 0.000) 3.603 16.352 ( -0.000 22.565 0.000) 22.565 16.352 ( 0.000 22.565 0.000) 22.565 17.123 ( -0.000 -14.014 0.000) 14.014 17.123 ( 0.000 -14.014 0.000) 14.014 18.156 ( 0.000 0.608 -0.000) 0.608 18.156 ( 0.000 0.608 0.000) 0.608 18.182 ( -0.000 -0.861 0.000) 0.861 18.182 ( 0.000 -0.861 0.000) 0.861 24.559 ( 0.000 0.468 0.000) 0.468 24.559 ( 0.000 0.468 0.000) 0.468 24.610 ( 0.000 -1.785 0.000) 1.785 24.610 ( 0.000 -1.785 0.000) 1.785 26.532 ( 0.000 0.582 0.000) 0.582 26.532 ( 0.000 0.582 0.000) 0.582 26.604 ( 0.000 -2.505 0.000) 2.505 26.604 ( 0.000 -2.505 0.000) 2.505 28.289 ( -0.000 1.539 0.000) 1.539 28.289 ( 0.000 1.539 0.000) 1.539 28.319 ( 0.000 -0.157 0.000) 0.157 28.319 ( 0.000 -0.157 0.000) 0.157 28.494 ( 0.000 3.893 0.000) 3.893 28.494 ( 0.000 3.893 0.000) 3.893 28.544 ( 0.000 1.520 0.000) 1.520 28.544 ( -0.000 1.520 0.000) 1.520 28.917 ( 0.000 8.102 0.000) 8.102 28.917 ( 0.000 8.102 0.000) 8.102 29.204 ( 0.000 -4.884 0.000) 4.884 29.204 ( 0.000 -4.884 0.000) 4.884 29.738 ( 0.000 10.372 0.000) 10.372 29.738 ( 0.000 10.372 0.000) 10.372 29.987 ( 0.000 0.521 0.000) 0.521 29.987 ( 0.000 0.521 0.000) 0.521 30.318 ( 0.000 -4.465 0.000) 4.465 30.318 ( 0.000 -4.465 0.000) 4.465 30.530 ( 0.000 -14.835 0.000) 14.835 30.530 ( 0.000 -14.835 0.000) 14.835 ======================= Grid point 205 (70/72) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.970 ( 0.000 -0.000 -0.000) 0.000 2.970 ( 0.000 -0.000 -0.000) 0.000 3.032 ( 0.000 0.000 -0.000) 0.000 3.032 ( 0.000 0.000 0.000) 0.000 3.086 ( 0.000 0.000 0.000) 0.000 3.086 ( 0.000 0.000 0.000) 0.000 3.348 ( 0.000 0.000 0.000) 0.000 3.348 ( 0.000 0.000 0.000) 0.000 3.713 ( 0.000 0.000 0.000) 0.000 3.713 ( 0.000 0.000 0.000) 0.000 3.743 ( 0.000 0.000 -0.000) 0.000 3.743 ( 0.000 0.000 -0.000) 0.000 3.973 ( 0.000 0.000 0.000) 0.000 3.973 ( 0.000 0.000 0.000) 0.000 4.379 ( 0.000 0.000 -0.000) 0.000 4.379 ( 0.000 0.000 0.000) 0.000 4.747 ( 0.000 0.000 -0.000) 0.000 4.747 ( 0.000 0.000 0.000) 0.000 4.961 ( 0.000 0.000 0.000) 0.000 4.961 ( 0.000 0.000 0.000) 0.000 4.970 ( 0.000 0.000 0.000) 0.000 4.970 ( 0.000 0.000 0.000) 0.000 5.263 ( 0.000 0.000 0.000) 0.000 5.263 ( 0.000 0.000 0.000) 0.000 5.446 ( 0.000 -0.000 0.000) 0.000 5.446 ( 0.000 0.000 0.000) 0.000 5.449 ( 0.000 -0.000 -0.000) 0.000 5.449 ( 0.000 0.000 -0.000) 0.000 5.659 ( 0.000 0.000 0.000) 0.000 5.659 ( 0.000 0.000 0.000) 0.000 5.854 ( 0.000 0.000 0.000) 0.000 5.854 ( 0.000 0.000 0.000) 0.000 6.032 ( 0.000 -0.000 0.000) 0.000 6.032 ( 0.000 0.000 0.000) 0.000 6.180 ( 0.000 0.000 0.000) 0.000 6.180 ( 0.000 0.000 0.000) 0.000 6.394 ( 0.000 0.000 0.000) 0.000 6.394 ( 0.000 0.000 0.000) 0.000 6.671 ( 0.000 0.000 0.000) 0.000 6.671 ( 0.000 0.000 0.000) 0.000 6.921 ( 0.000 0.000 -0.000) 0.000 6.921 ( 0.000 0.000 0.000) 0.000 7.096 ( 0.000 0.000 0.000) 0.000 7.096 ( 0.000 0.000 0.000) 0.000 7.437 ( 0.000 -0.000 -0.000) 0.000 7.437 ( 0.000 -0.000 0.000) 0.000 7.438 ( 0.000 0.000 -0.000) 0.000 7.438 ( 0.000 0.000 0.000) 0.000 7.807 ( 0.000 0.000 0.000) 0.000 7.807 ( 0.000 0.000 0.000) 0.000 8.114 ( 0.000 0.000 0.000) 0.000 8.114 ( 0.000 0.000 0.000) 0.000 8.495 ( 0.000 0.000 -0.000) 0.000 8.495 ( 0.000 0.000 0.000) 0.000 8.614 ( 0.000 0.000 -0.000) 0.000 8.614 ( 0.000 0.000 0.000) 0.000 8.789 ( 0.000 0.000 0.000) 0.000 8.789 ( 0.000 0.000 0.000) 0.000 8.911 ( 0.000 0.000 0.000) 0.000 8.911 ( 0.000 0.000 0.000) 0.000 9.317 ( 0.000 0.000 0.000) 0.000 9.317 ( 0.000 0.000 0.000) 0.000 9.442 ( 0.000 0.000 0.000) 0.000 9.442 ( 0.000 0.000 0.000) 0.000 10.553 ( 0.000 -0.000 0.000) 0.000 10.553 ( 0.000 0.000 0.000) 0.000 10.563 ( 0.000 -0.000 0.000) 0.000 10.563 ( 0.000 0.000 0.000) 0.000 11.204 ( 0.000 0.000 0.000) 0.000 11.204 ( 0.000 0.000 0.000) 0.000 11.831 ( 0.000 0.000 0.000) 0.000 11.831 ( 0.000 0.000 0.000) 0.000 12.111 ( 0.000 0.000 0.000) 0.000 12.111 ( 0.000 0.000 0.000) 0.000 12.306 ( 0.000 0.000 0.000) 0.000 12.306 ( 0.000 0.000 0.000) 0.000 12.520 ( 0.000 0.000 0.000) 0.000 12.520 ( 0.000 0.000 0.000) 0.000 12.848 ( 0.000 0.000 0.000) 0.000 12.848 ( 0.000 0.000 0.000) 0.000 13.807 ( 0.000 0.000 0.000) 0.000 13.807 ( 0.000 0.000 0.000) 0.000 14.301 ( 0.000 0.000 0.000) 0.000 14.301 ( 0.000 0.000 0.000) 0.000 14.426 ( 0.000 0.000 0.000) 0.000 14.426 ( 0.000 0.000 0.000) 0.000 14.487 ( 0.000 -0.000 0.000) 0.000 14.487 ( 0.000 0.000 -0.000) 0.000 15.039 ( 0.000 0.000 0.000) 0.000 15.039 ( 0.000 0.000 0.000) 0.000 15.266 ( 0.000 -0.000 -0.000) 0.000 15.266 ( 0.000 0.000 0.000) 0.000 15.426 ( 0.000 0.000 -0.000) 0.000 15.426 ( 0.000 0.000 0.000) 0.000 15.455 ( 0.000 0.000 0.000) 0.000 15.455 ( 0.000 -0.000 0.000) 0.000 16.710 ( 0.000 -0.000 0.000) 0.000 16.710 ( 0.000 -0.000 0.000) 0.000 16.902 ( 0.000 0.000 0.000) 0.000 16.902 ( 0.000 0.000 0.000) 0.000 18.106 ( 0.000 0.000 -0.000) 0.000 18.106 ( 0.000 0.000 0.000) 0.000 18.206 ( 0.000 0.000 -0.000) 0.000 18.206 ( 0.000 0.000 0.000) 0.000 24.526 ( 0.000 0.000 0.000) 0.000 24.526 ( 0.000 0.000 0.000) 0.000 24.633 ( 0.000 0.000 0.000) 0.000 24.633 ( 0.000 0.000 0.000) 0.000 26.519 ( 0.000 0.000 0.000) 0.000 26.519 ( 0.000 0.000 0.000) 0.000 26.593 ( 0.000 0.000 0.000) 0.000 26.593 ( 0.000 0.000 0.000) 0.000 28.201 ( 0.000 0.000 0.000) 0.000 28.201 ( 0.000 0.000 0.000) 0.000 28.393 ( 0.000 0.000 0.000) 0.000 28.393 ( 0.000 0.000 0.000) 0.000 28.526 ( 0.000 -0.000 0.000) 0.000 28.526 ( 0.000 0.000 0.000) 0.000 28.636 ( 0.000 0.000 0.000) 0.000 28.636 ( 0.000 0.000 0.000) 0.000 28.920 ( 0.000 0.000 0.000) 0.000 28.920 ( 0.000 0.000 0.000) 0.000 29.246 ( 0.000 0.000 0.000) 0.000 29.246 ( 0.000 0.000 0.000) 0.000 29.865 ( 0.000 0.000 0.000) 0.000 29.865 ( 0.000 0.000 0.000) 0.000 30.034 ( 0.000 0.000 0.000) 0.000 30.034 ( 0.000 -0.000 0.000) 0.000 30.146 ( 0.000 0.000 0.000) 0.000 30.146 ( 0.000 0.000 0.000) 0.000 30.390 ( 0.000 0.000 0.000) 0.000 30.390 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 209 (71/72) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.924 ( -3.273 -0.000 -0.000) 3.273 2.924 ( -3.273 -0.000 0.000) 3.273 2.958 ( -4.716 0.000 -0.000) 4.716 2.958 ( -4.716 0.000 0.000) 4.716 3.162 ( 5.494 0.000 -0.000) 5.494 3.162 ( 5.494 0.000 0.000) 5.494 3.336 ( -2.045 0.000 0.000) 2.045 3.336 ( -2.045 0.000 0.000) 2.045 3.768 ( 5.108 0.000 -0.000) 5.108 3.768 ( 5.108 0.000 0.000) 5.108 3.883 ( 9.577 0.000 -0.000) 9.577 3.883 ( 9.577 0.000 0.000) 9.577 3.965 ( 3.177 -0.000 -0.000) 3.177 3.965 ( 3.177 0.000 0.000) 3.177 4.371 ( -1.549 0.000 -0.000) 1.549 4.371 ( -1.549 0.000 0.000) 1.549 4.674 ( -6.105 0.000 -0.000) 6.105 4.674 ( -6.105 0.000 0.000) 6.105 4.762 ( -13.469 0.000 0.000) 13.469 4.762 ( -13.469 0.000 0.000) 13.469 5.081 ( 5.780 -0.000 0.000) 5.780 5.081 ( 5.780 0.000 0.000) 5.780 5.271 ( 0.108 0.000 0.000) 0.108 5.271 ( 0.108 0.000 0.000) 0.108 5.370 ( -5.500 -0.000 0.000) 5.500 5.370 ( -5.500 0.000 0.000) 5.500 5.402 ( -3.448 0.000 -0.000) 3.448 5.402 ( -3.448 0.000 0.000) 3.448 5.789 ( 9.859 0.000 -0.000) 9.859 5.789 ( 9.859 -0.000 0.000) 9.859 5.926 ( 5.139 0.000 0.000) 5.139 5.926 ( 5.139 0.000 0.000) 5.139 6.106 ( 7.948 0.000 0.000) 7.948 6.106 ( 7.948 0.000 0.000) 7.948 6.159 ( -1.361 -0.000 0.000) 1.361 6.159 ( -1.361 0.000 0.000) 1.361 6.340 ( -5.095 -0.000 0.000) 5.095 6.340 ( -5.095 0.000 0.000) 5.095 6.558 ( -9.999 0.000 0.000) 9.999 6.558 ( -9.999 0.000 0.000) 9.999 6.989 ( 4.827 0.000 -0.000) 4.827 6.989 ( 4.827 0.000 0.000) 4.827 7.093 ( -0.742 -0.000 -0.000) 0.742 7.093 ( -0.742 -0.000 0.000) 0.742 7.408 ( -2.116 -0.000 -0.000) 2.116 7.408 ( -2.116 -0.000 0.000) 2.116 7.413 ( -1.965 0.000 -0.000) 1.965 7.413 ( -1.965 0.000 0.000) 1.965 7.872 ( 6.153 0.000 0.000) 6.153 7.872 ( 6.153 0.000 0.000) 6.153 8.091 ( -3.071 0.000 0.000) 3.071 8.091 ( -3.071 0.000 0.000) 3.071 8.513 ( 1.987 0.000 -0.000) 1.987 8.513 ( 1.987 0.000 0.000) 1.987 8.599 ( -1.544 0.000 -0.000) 1.544 8.599 ( -1.544 0.000 0.000) 1.544 8.808 ( 2.012 0.000 0.000) 2.012 8.808 ( 2.012 0.000 0.000) 2.012 8.896 ( -1.640 0.000 0.000) 1.640 8.896 ( -1.640 0.000 0.000) 1.640 9.335 ( 1.880 0.000 0.000) 1.880 9.335 ( 1.880 0.000 0.000) 1.880 9.423 ( -1.932 0.000 0.000) 1.932 9.423 ( -1.932 0.000 0.000) 1.932 10.558 ( 0.396 0.000 -0.000) 0.396 10.558 ( 0.396 0.000 0.000) 0.396 10.565 ( 0.114 -0.000 0.000) 0.114 10.565 ( 0.114 -0.000 0.000) 0.114 11.283 ( 8.378 0.000 0.000) 8.378 11.283 ( 8.378 0.000 0.000) 8.378 11.754 ( -11.555 0.000 0.000) 11.555 11.754 ( -11.555 0.000 0.000) 11.555 12.017 ( 1.591 0.000 0.000) 1.591 12.017 ( 1.591 0.000 0.000) 1.591 12.385 ( -12.019 0.000 0.000) 12.019 12.385 ( -12.019 0.000 0.000) 12.019 12.515 ( 13.974 0.000 0.000) 13.974 12.515 ( 13.974 0.000 0.000) 13.974 12.843 ( -2.277 0.000 0.000) 2.277 12.843 ( -2.277 0.000 0.000) 2.277 13.888 ( 7.918 0.000 0.000) 7.918 13.888 ( 7.918 -0.000 0.000) 7.918 14.221 ( -7.455 0.000 0.000) 7.455 14.221 ( -7.455 0.000 0.000) 7.455 14.439 ( 0.538 -0.000 0.000) 0.538 14.439 ( 0.538 0.000 0.000) 0.538 14.466 ( -1.680 -0.000 -0.000) 1.680 14.466 ( -1.680 0.000 0.000) 1.680 15.107 ( 6.547 0.000 0.000) 6.547 15.107 ( 6.547 0.000 0.000) 6.547 15.291 ( 1.599 -0.000 -0.000) 1.599 15.291 ( 1.599 0.000 0.000) 1.599 15.394 ( -2.732 0.000 -0.000) 2.732 15.394 ( -2.732 0.000 0.000) 2.732 15.440 ( -1.628 0.000 0.000) 1.628 15.440 ( -1.628 -0.000 0.000) 1.628 16.727 ( 1.888 -0.000 0.000) 1.888 16.727 ( 1.888 0.000 0.000) 1.888 16.863 ( -3.914 0.000 0.000) 3.914 16.863 ( -3.914 0.000 0.000) 3.914 18.127 ( 2.017 0.000 -0.000) 2.017 18.127 ( 2.017 0.000 0.000) 2.017 18.197 ( -1.043 0.000 -0.000) 1.043 18.197 ( -1.043 0.000 0.000) 1.043 24.540 ( 1.534 0.000 0.000) 1.534 24.540 ( 1.534 0.000 0.000) 1.534 24.616 ( -1.727 0.000 0.000) 1.727 24.616 ( -1.727 0.000 0.000) 1.727 26.530 ( 1.204 -0.000 0.000) 1.204 26.530 ( 1.204 0.000 0.000) 1.204 26.583 ( -1.034 0.000 0.000) 1.034 26.583 ( -1.034 0.000 0.000) 1.034 28.235 ( 3.449 0.000 0.000) 3.449 28.235 ( 3.449 0.000 0.000) 3.449 28.376 ( -2.164 0.000 0.000) 2.164 28.376 ( -2.164 0.000 0.000) 2.164 28.525 ( 0.309 0.000 0.000) 0.309 28.525 ( 0.309 0.000 0.000) 0.309 28.601 ( -3.062 0.000 0.000) 3.062 28.601 ( -3.062 0.000 0.000) 3.062 28.972 ( 4.937 0.000 0.000) 4.937 28.972 ( 4.937 0.000 0.000) 4.937 29.191 ( -5.302 0.000 0.000) 5.302 29.191 ( -5.302 0.000 0.000) 5.302 29.887 ( 2.262 0.000 0.000) 2.262 29.887 ( 2.262 0.000 0.000) 2.262 30.005 ( -2.894 -0.000 0.000) 2.894 30.005 ( -2.894 0.000 0.000) 2.894 30.197 ( 4.943 0.000 0.000) 4.943 30.197 ( 4.943 0.000 0.000) 4.943 30.367 ( -2.572 -0.000 0.000) 2.572 30.367 ( -2.572 0.000 0.000) 2.572 ======================= Grid point 213 (72/72) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.899 ( -0.317 -1.658 -0.000) 1.688 2.899 ( -0.317 -1.658 -0.000) 1.688 2.899 ( 0.317 1.658 0.000) 1.688 2.899 ( 0.317 1.658 0.000) 1.688 3.265 ( -2.480 -4.353 -0.000) 5.010 3.265 ( -2.480 -4.353 0.000) 5.010 3.265 ( 2.480 4.353 0.000) 5.010 3.265 ( 2.480 4.353 0.000) 5.010 3.863 ( -1.115 -8.675 -0.000) 8.747 3.863 ( -1.115 -8.675 0.000) 8.747 3.863 ( 1.115 8.675 0.000) 8.747 3.863 ( 1.115 8.675 0.000) 8.747 4.233 ( -7.276 -12.480 -0.000) 14.446 4.233 ( -7.276 -12.480 0.000) 14.446 4.233 ( 7.276 12.480 0.000) 14.446 4.233 ( 7.276 12.480 0.000) 14.446 4.601 ( -0.027 -8.359 0.000) 8.359 4.601 ( -0.027 -8.359 0.000) 8.359 4.601 ( 0.027 8.359 -0.000) 8.359 4.601 ( 0.027 8.359 0.000) 8.359 5.198 ( -4.562 -2.725 0.000) 5.313 5.198 ( -4.562 -2.725 0.000) 5.313 5.198 ( 4.562 2.725 0.000) 5.313 5.198 ( 4.562 2.725 0.000) 5.313 5.347 ( -1.444 -0.945 0.000) 1.726 5.347 ( -1.444 -0.945 0.000) 1.726 5.347 ( 1.444 0.945 -0.000) 1.726 5.347 ( 1.444 0.945 0.000) 1.726 5.934 ( -1.716 -6.145 -0.000) 6.380 5.934 ( -1.716 -6.145 0.000) 6.380 5.934 ( 1.716 6.145 -0.000) 6.380 5.934 ( 1.716 6.145 0.000) 6.380 6.192 ( -2.278 -2.389 0.000) 3.301 6.192 ( -2.278 -2.389 0.000) 3.301 6.192 ( 2.278 2.389 0.000) 3.301 6.192 ( 2.277 2.389 0.000) 3.301 6.349 ( -6.832 -5.598 -0.000) 8.833 6.349 ( -6.832 -5.598 0.000) 8.833 6.349 ( 6.832 5.598 0.000) 8.833 6.349 ( 6.832 5.598 0.000) 8.833 7.060 ( -0.602 -6.555 0.000) 6.582 7.060 ( -0.602 -6.555 0.000) 6.582 7.060 ( 0.602 6.555 0.000) 6.582 7.060 ( 0.602 6.555 0.000) 6.582 7.390 ( -0.030 -1.129 0.000) 1.130 7.390 ( -0.030 -1.129 0.000) 1.130 7.390 ( 0.030 1.129 0.000) 1.130 7.390 ( 0.030 1.129 0.000) 1.130 7.997 ( -4.149 -3.318 -0.000) 5.312 7.997 ( -4.149 -3.318 0.000) 5.312 7.997 ( 4.149 3.318 0.000) 5.312 7.997 ( 4.149 3.318 0.000) 5.312 8.560 ( -0.714 -4.527 0.000) 4.583 8.560 ( -0.714 -4.527 0.000) 4.583 8.560 ( 0.714 4.527 0.000) 4.583 8.560 ( 0.714 4.527 0.000) 4.583 8.854 ( -2.161 -0.624 0.000) 2.249 8.854 ( -2.161 -0.624 0.000) 2.249 8.854 ( 2.161 0.624 0.000) 2.249 8.854 ( 2.161 0.624 0.000) 2.249 9.379 ( -1.041 -2.822 0.000) 3.008 9.379 ( -1.041 -2.822 0.000) 3.008 9.379 ( 1.041 2.822 0.000) 3.008 9.379 ( 1.041 2.822 0.000) 3.008 10.564 ( -0.005 -5.225 0.000) 5.225 10.564 ( -0.005 -5.225 0.000) 5.225 10.564 ( 0.005 5.225 0.000) 5.225 10.564 ( 0.005 5.225 0.000) 5.225 11.495 ( -14.001 -0.026 0.000) 14.001 11.495 ( -14.001 -0.026 0.000) 14.001 11.495 ( 14.001 0.026 0.000) 14.001 11.495 ( 14.001 0.026 0.000) 14.001 12.157 ( -10.329 -1.113 0.000) 10.389 12.157 ( -10.329 -1.113 0.000) 10.389 12.157 ( 10.329 1.113 0.000) 10.389 12.157 ( 10.329 1.113 0.000) 10.389 12.736 ( -9.274 -0.057 0.000) 9.274 12.736 ( -9.274 -0.057 0.000) 9.274 12.736 ( 9.274 0.057 0.000) 9.274 12.736 ( 9.274 0.057 0.000) 9.274 14.058 ( -5.038 -6.861 0.000) 8.512 14.058 ( -5.038 -6.861 0.000) 8.512 14.058 ( 5.038 6.861 0.000) 8.512 14.058 ( 5.039 6.861 0.000) 8.512 14.445 ( -0.018 -7.049 0.000) 7.049 14.445 ( -0.018 -7.049 0.000) 7.049 14.445 ( 0.018 7.049 0.000) 7.049 14.445 ( 0.018 7.049 0.000) 7.049 15.240 ( -3.322 -5.201 -0.000) 6.172 15.240 ( -3.322 -5.201 0.000) 6.171 15.240 ( 3.322 5.201 0.000) 6.172 15.240 ( 3.322 5.201 0.000) 6.172 15.398 ( -0.731 -4.322 -0.000) 4.383 15.398 ( -0.731 -4.322 0.000) 4.383 15.398 ( 0.731 4.322 0.000) 4.383 15.398 ( 0.731 4.322 0.000) 4.383 16.783 ( -0.442 -18.920 0.000) 18.925 16.783 ( -0.442 -18.920 0.000) 18.925 16.783 ( 0.442 18.920 0.000) 18.925 16.783 ( 0.442 18.920 0.000) 18.925 18.167 ( -1.826 -0.284 0.000) 1.848 18.167 ( -1.826 -0.284 0.000) 1.848 18.167 ( 1.826 0.284 0.000) 1.848 18.167 ( 1.826 0.284 0.000) 1.848 24.577 ( -1.534 -0.963 0.000) 1.811 24.577 ( -1.534 -0.963 0.000) 1.811 24.577 ( 1.534 0.963 0.000) 1.811 24.577 ( 1.534 0.963 0.000) 1.811 26.558 ( -0.619 -1.712 0.000) 1.821 26.558 ( -0.619 -1.712 0.000) 1.821 26.558 ( 0.619 1.712 0.000) 1.821 26.558 ( 0.619 1.712 0.000) 1.821 28.312 ( -4.200 -0.194 0.000) 4.204 28.312 ( -4.200 -0.194 0.000) 4.204 28.312 ( 4.200 0.194 0.000) 4.204 28.312 ( 4.200 0.194 0.000) 4.204 28.549 ( -1.549 -0.891 0.000) 1.787 28.549 ( -1.549 -0.891 0.000) 1.787 28.549 ( 1.549 0.891 0.000) 1.787 28.549 ( 1.549 0.891 0.000) 1.787 29.079 ( -2.549 -6.617 0.000) 7.091 29.079 ( -2.549 -6.617 0.000) 7.091 29.079 ( 2.549 6.617 0.000) 7.091 29.079 ( 2.549 6.617 0.000) 7.091 29.942 ( -0.869 -6.714 0.000) 6.770 29.942 ( -0.869 -6.714 0.000) 6.770 29.942 ( 0.869 6.714 0.000) 6.770 29.942 ( 0.869 6.714 0.000) 6.770 30.296 ( -2.345 -4.306 0.000) 4.903 30.296 ( -2.345 -4.306 0.000) 4.903 30.296 ( 2.345 4.306 0.000) 4.903 30.296 ( 2.345 4.306 0.000) 4.903 =================== 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 3/31680 10.0 12089.299 7139.442 5389.285 0.000 0.000 -0.000 3/31680 20.0 1348.361 1071.326 1207.525 0.000 0.000 -0.000 3/31680 30.0 330.591 310.416 351.948 0.000 0.000 -0.000 3/31680 40.0 133.462 134.587 151.636 0.000 0.000 -0.000 3/31680 50.0 70.908 73.970 83.191 0.000 0.000 -0.000 3/31680 60.0 44.531 47.252 53.140 0.000 0.000 -0.000 3/31680 70.0 31.167 33.368 37.535 0.000 0.000 -0.000 3/31680 80.0 23.478 25.260 28.416 0.000 0.000 -0.000 3/31680 90.0 18.629 20.099 22.604 0.000 0.000 -0.000 3/31680 100.0 15.352 16.591 18.649 0.000 0.000 -0.000 3/31680 110.0 13.018 14.083 15.818 0.000 0.000 -0.000 3/31680 120.0 11.284 12.216 13.708 0.000 0.000 -0.000 3/31680 130.0 9.952 10.781 12.085 0.000 0.000 -0.000 3/31680 140.0 8.901 9.647 10.801 0.000 0.000 -0.000 3/31680 150.0 8.053 8.732 9.764 0.000 0.000 -0.000 3/31680 160.0 7.354 7.979 8.910 0.000 0.000 -0.000 3/31680 170.0 6.770 7.349 8.196 0.000 0.000 -0.000 3/31680 180.0 6.274 6.815 7.590 0.000 0.000 -0.000 3/31680 190.0 5.849 6.356 7.070 0.000 0.000 -0.000 3/31680 200.0 5.479 5.958 6.618 0.000 0.000 -0.000 3/31680 210.0 5.156 5.610 6.223 0.000 0.000 -0.000 3/31680 220.0 4.870 5.302 5.875 0.000 0.000 -0.000 3/31680 230.0 4.616 5.029 5.564 0.000 0.000 -0.000 3/31680 240.0 4.388 4.783 5.287 0.000 0.000 -0.000 3/31680 250.0 4.183 4.562 5.037 0.000 0.000 -0.000 3/31680 260.0 3.998 4.362 4.811 0.000 0.000 -0.000 3/31680 270.0 3.828 4.180 4.605 0.000 0.000 -0.000 3/31680 280.0 3.674 4.013 4.416 0.000 0.000 -0.000 3/31680 290.0 3.532 3.860 4.244 0.000 0.000 -0.000 3/31680 300.0 3.401 3.719 4.085 0.000 0.000 -0.000 3/31680 310.0 3.280 3.589 3.938 0.000 0.000 -0.000 3/31680 320.0 3.168 3.468 3.802 0.000 0.000 -0.000 3/31680 330.0 3.064 3.355 3.675 0.000 0.000 -0.000 3/31680 340.0 2.967 3.250 3.557 0.000 0.000 -0.000 3/31680 350.0 2.876 3.151 3.446 0.000 0.000 -0.000 3/31680 360.0 2.791 3.059 3.343 0.000 0.000 -0.000 3/31680 370.0 2.710 2.972 3.246 0.000 0.000 -0.000 3/31680 380.0 2.635 2.890 3.154 0.000 0.000 -0.000 3/31680 390.0 2.564 2.813 3.068 0.000 0.000 -0.000 3/31680 400.0 2.497 2.740 2.987 0.000 0.000 -0.000 3/31680 410.0 2.433 2.671 2.910 0.000 0.000 -0.000 3/31680 420.0 2.373 2.606 2.837 0.000 0.000 -0.000 3/31680 430.0 2.315 2.543 2.767 0.000 0.000 -0.000 3/31680 440.0 2.261 2.484 2.701 0.000 0.000 -0.000 3/31680 450.0 2.209 2.428 2.639 0.000 0.000 -0.000 3/31680 460.0 2.160 2.374 2.579 0.000 0.000 -0.000 3/31680 470.0 2.112 2.322 2.522 0.000 0.000 -0.000 3/31680 480.0 2.067 2.273 2.467 0.000 0.000 -0.000 3/31680 490.0 2.024 2.226 2.415 0.000 0.000 -0.000 3/31680 500.0 1.983 2.181 2.365 0.000 0.000 -0.000 3/31680 510.0 1.943 2.138 2.318 0.000 0.000 -0.000 3/31680 520.0 1.905 2.096 2.272 0.000 0.000 -0.000 3/31680 530.0 1.868 2.056 2.228 0.000 0.000 -0.000 3/31680 540.0 1.833 2.018 2.185 0.000 0.000 -0.000 3/31680 550.0 1.800 1.981 2.145 0.000 0.000 -0.000 3/31680 560.0 1.767 1.946 2.105 0.000 0.000 -0.000 3/31680 570.0 1.736 1.911 2.068 0.000 0.000 -0.000 3/31680 580.0 1.705 1.878 2.031 0.000 0.000 -0.000 3/31680 590.0 1.676 1.846 1.996 0.000 0.000 -0.000 3/31680 600.0 1.648 1.815 1.962 0.000 0.000 -0.000 3/31680 610.0 1.621 1.786 1.929 0.000 0.000 -0.000 3/31680 620.0 1.594 1.757 1.898 0.000 0.000 -0.000 3/31680 630.0 1.569 1.729 1.867 0.000 0.000 -0.000 3/31680 640.0 1.544 1.702 1.838 0.000 0.000 -0.000 3/31680 650.0 1.520 1.676 1.809 0.000 0.000 -0.000 3/31680 660.0 1.497 1.650 1.781 0.000 0.000 -0.000 3/31680 670.0 1.475 1.626 1.754 0.000 0.000 -0.000 3/31680 680.0 1.453 1.602 1.728 0.000 0.000 -0.000 3/31680 690.0 1.432 1.579 1.703 0.000 0.000 -0.000 3/31680 700.0 1.411 1.556 1.678 0.000 0.000 -0.000 3/31680 710.0 1.391 1.534 1.654 0.000 0.000 -0.000 3/31680 720.0 1.372 1.513 1.631 0.000 0.000 -0.000 3/31680 730.0 1.353 1.493 1.608 0.000 0.000 -0.000 3/31680 740.0 1.335 1.473 1.586 0.000 0.000 -0.000 3/31680 750.0 1.317 1.453 1.565 0.000 0.000 -0.000 3/31680 760.0 1.300 1.434 1.544 0.000 0.000 -0.000 3/31680 770.0 1.283 1.415 1.524 0.000 0.000 -0.000 3/31680 780.0 1.266 1.397 1.504 0.000 0.000 -0.000 3/31680 790.0 1.250 1.380 1.485 0.000 0.000 -0.000 3/31680 800.0 1.235 1.363 1.467 0.000 0.000 -0.000 3/31680 810.0 1.220 1.346 1.448 0.000 0.000 -0.000 3/31680 820.0 1.205 1.329 1.431 0.000 0.000 -0.000 3/31680 830.0 1.190 1.314 1.413 0.000 0.000 -0.000 3/31680 840.0 1.176 1.298 1.396 0.000 0.000 -0.000 3/31680 850.0 1.162 1.283 1.380 0.000 0.000 -0.000 3/31680 860.0 1.149 1.268 1.364 0.000 0.000 -0.000 3/31680 870.0 1.136 1.253 1.348 0.000 0.000 -0.000 3/31680 880.0 1.123 1.239 1.333 0.000 0.000 -0.000 3/31680 890.0 1.110 1.225 1.318 0.000 0.000 -0.000 3/31680 900.0 1.098 1.212 1.303 0.000 0.000 -0.000 3/31680 910.0 1.086 1.199 1.288 0.000 0.000 -0.000 3/31680 920.0 1.074 1.186 1.274 0.000 0.000 -0.000 3/31680 930.0 1.062 1.173 1.261 0.000 0.000 -0.000 3/31680 940.0 1.051 1.161 1.247 0.000 0.000 -0.000 3/31680 950.0 1.040 1.149 1.234 0.000 0.000 -0.000 3/31680 960.0 1.029 1.137 1.221 0.000 0.000 -0.000 3/31680 970.0 1.019 1.125 1.208 0.000 0.000 -0.000 3/31680 980.0 1.008 1.114 1.196 0.000 0.000 -0.000 3/31680 990.0 0.998 1.102 1.184 0.000 0.000 -0.000 3/31680 1000.0 0.988 1.091 1.172 0.000 0.000 -0.000 3/31680 Thermal conductivity related properties were written into "kappa-m4610.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:36:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|