----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:59:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.841408805011174 -3.286064525000001 0.000000000000000 b 6.841408805011174 3.286064525000001 0.000000000000000 c -6.726714277273487 0.000000000000000 7.512139362308438 Atomic positions (fractional): *1 Hf 0.68384072254321 0.68384072254321 0.63587580614863 178.490 2 Hf 0.31615927745679 0.31615927745679 0.36412419385137 178.490 *3 Hf 0.94261865153408 0.94261865153408 0.09542178078952 178.490 4 Hf 0.05738134846592 0.05738134846592 0.90457821921048 178.490 *5 P 0.59246327277816 0.59246327277816 0.83539982487216 30.974 *6 P 0.17000335758949 0.17000335758949 0.54070919720660 30.974 7 P 0.40753672722184 0.40753672722184 0.16460017512784 30.974 8 P 0.82999664241051 0.82999664241051 0.45929080279340 30.974 *9 O 0.51487297708281 0.51487297708281 0.63135789283057 15.999 *10 O 0.27408631976035 0.27408631976035 0.52356152429180 15.999 *11 O 0.73384346439266 0.73384346439266 0.90190455230823 15.999 12 O 0.72591368023965 0.72591368023965 0.47643847570820 15.999 *13 O 0.62398457790493 0.00607646348017 0.35928764659251 15.999 *14 O 0.23909170330564 0.61997670090714 0.10279914140959 15.999 15 O 0.38002329909286 0.76090829669436 0.89720085859041 15.999 *16 O 0.11425910909026 0.11425910909026 0.15651853642874 15.999 17 O 0.37601542209507 0.99392353651983 0.64071235340749 15.999 *18 O 0.03181795376088 0.03181795376088 0.35332790738041 15.999 19 O 0.48512702291719 0.48512702291719 0.36864210716943 15.999 20 O 0.26615653560734 0.26615653560734 0.09809544769177 15.999 21 O 0.61997670090714 0.23909170330564 0.10279914140959 15.999 22 O 0.96818204623912 0.96818204623912 0.64667209261959 15.999 23 O 0.76090829669436 0.38002329909286 0.89720085859041 15.999 24 O 0.99392353651983 0.37601542209507 0.64071235340749 15.999 25 O 0.88574089090974 0.88574089090974 0.84348146357126 15.999 26 O 0.00607646348017 0.62398457790493 0.35928764659251 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.682817610022347 0.000000000000000 0.000000000000000 b 0.000000000000000 6.572129050000002 0.000000000000000 c -6.726714277273487 0.000000000000000 7.512139362308438 Atomic positions (fractional): *1 Hf 0.18384072254321 0.50000000000000 0.63587580614863 178.490 > 1 2 Hf 0.81615927745679 0.50000000000000 0.36412419385137 178.490 > 2 *3 Hf 0.94261865153408 0.00000000000000 0.09542178078952 178.490 > 3 4 Hf 0.05738134846592 0.00000000000000 0.90457821921048 178.490 > 4 5 Hf 0.68384072254321 0.00000000000000 0.63587580614863 178.490 > 1 6 Hf 0.31615927745679 0.00000000000000 0.36412419385137 178.490 > 2 7 Hf 0.44261865153408 0.50000000000000 0.09542178078952 178.490 > 3 8 Hf 0.55738134846592 0.50000000000000 0.90457821921048 178.490 > 4 *9 P 0.09246327277816 0.50000000000000 0.83539982487216 30.974 > 5 *10 P 0.17000335758949 0.00000000000000 0.54070919720660 30.974 > 6 11 P 0.90753672722184 0.50000000000000 0.16460017512784 30.974 > 7 12 P 0.82999664241051 0.00000000000000 0.45929080279340 30.974 > 8 13 P 0.59246327277816 0.00000000000000 0.83539982487216 30.974 > 5 14 P 0.67000335758949 0.50000000000000 0.54070919720660 30.974 > 6 15 P 0.40753672722184 0.00000000000000 0.16460017512784 30.974 > 7 16 P 0.32999664241052 0.50000000000000 0.45929080279340 30.974 > 8 *17 O 0.01487297708281 0.50000000000000 0.63135789283057 15.999 > 9 *18 O 0.77408631976035 0.50000000000000 0.52356152429180 15.999 > 10 *19 O 0.23384346439266 0.50000000000000 0.90190455230823 15.999 > 11 20 O 0.22591368023965 0.50000000000000 0.47643847570820 15.999 > 12 *21 O 0.81503052069255 0.19104594278762 0.35928764659251 15.999 > 13 *22 O 0.92953420210639 0.69044249880075 0.10279914140959 15.999 > 14 23 O 0.07046579789361 0.69044249880075 0.89720085859041 15.999 > 15 *24 O 0.61425910909026 0.50000000000000 0.15651853642874 15.999 > 16 25 O 0.18496947930745 0.80895405721238 0.64071235340749 15.999 > 17 *26 O 0.03181795376088 0.00000000000000 0.35332790738041 15.999 > 18 27 O 0.98512702291719 0.50000000000000 0.36864210716943 15.999 > 19 28 O 0.76615653560734 0.50000000000000 0.09809544769177 15.999 > 20 29 O 0.92953420210639 0.30955750119925 0.10279914140959 15.999 > 21 30 O 0.96818204623912 0.00000000000000 0.64667209261959 15.999 > 22 31 O 0.07046579789361 0.30955750119925 0.89720085859041 15.999 > 23 32 O 0.18496947930745 0.19104594278762 0.64071235340749 15.999 > 24 33 O 0.38574089090974 0.50000000000000 0.84348146357126 15.999 > 25 34 O 0.81503052069255 0.80895405721238 0.35928764659251 15.999 > 26 35 O 0.51487297708281 0.00000000000000 0.63135789283057 15.999 > 9 36 O 0.27408631976035 0.00000000000000 0.52356152429180 15.999 > 10 37 O 0.73384346439266 0.00000000000000 0.90190455230823 15.999 > 11 38 O 0.72591368023965 0.00000000000000 0.47643847570820 15.999 > 12 39 O 0.31503052069255 0.69104594278762 0.35928764659251 15.999 > 13 40 O 0.42953420210639 0.19044249880075 0.10279914140959 15.999 > 14 41 O 0.57046579789361 0.19044249880075 0.89720085859041 15.999 > 15 42 O 0.11425910909026 0.00000000000000 0.15651853642874 15.999 > 16 43 O 0.68496947930745 0.30895405721238 0.64071235340749 15.999 > 17 44 O 0.53181795376088 0.50000000000000 0.35332790738041 15.999 > 18 45 O 0.48512702291719 0.00000000000000 0.36864210716943 15.999 > 19 46 O 0.26615653560734 0.00000000000000 0.09809544769177 15.999 > 20 47 O 0.42953420210639 0.80955750119925 0.10279914140959 15.999 > 21 48 O 0.46818204623912 0.50000000000000 0.64667209261959 15.999 > 22 49 O 0.57046579789361 0.80955750119925 0.89720085859041 15.999 > 23 50 O 0.68496947930745 0.69104594278762 0.64071235340749 15.999 > 24 51 O 0.88574089090974 0.00000000000000 0.84348146357126 15.999 > 25 52 O 0.31503052069255 0.30895405721238 0.35928764659251 15.999 > 26 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.682817610022347 0.000000000000000 0.000000000000000 b 0.000000000000000 13.144258100000004 0.000000000000000 c -6.726714277273487 0.000000000000000 7.512139362308438 Atomic positions (fractional): *1 Hf 0.18384072254321 0.25000000000000 0.63587580614863 178.490 > 1 2 Hf 0.18384072254321 0.75000000000000 0.63587580614863 178.490 > 1 3 Hf 0.81615927745679 0.25000000000000 0.36412419385137 178.490 > 2 4 Hf 0.81615927745679 0.75000000000000 0.36412419385137 178.490 > 2 *5 Hf 0.94261865153408 0.00000000000000 0.09542178078952 178.490 > 3 6 Hf 0.94261865153408 0.50000000000000 0.09542178078952 178.490 > 3 7 Hf 0.05738134846592 0.00000000000000 0.90457821921048 178.490 > 4 8 Hf 0.05738134846592 0.50000000000000 0.90457821921048 178.490 > 4 9 Hf 0.68384072254321 0.00000000000000 0.63587580614863 178.490 > 1 10 Hf 0.68384072254321 0.50000000000000 0.63587580614863 178.490 > 1 11 Hf 0.31615927745679 0.00000000000000 0.36412419385137 178.490 > 2 12 Hf 0.31615927745679 0.50000000000000 0.36412419385137 178.490 > 2 13 Hf 0.44261865153408 0.25000000000000 0.09542178078952 178.490 > 3 14 Hf 0.44261865153408 0.75000000000000 0.09542178078952 178.490 > 3 15 Hf 0.55738134846592 0.25000000000000 0.90457821921048 178.490 > 4 16 Hf 0.55738134846592 0.75000000000000 0.90457821921048 178.490 > 4 *17 P 0.09246327277816 0.25000000000000 0.83539982487216 30.974 > 5 18 P 0.09246327277816 0.75000000000000 0.83539982487216 30.974 > 5 *19 P 0.17000335758949 0.00000000000000 0.54070919720660 30.974 > 6 20 P 0.17000335758949 0.50000000000000 0.54070919720660 30.974 > 6 21 P 0.90753672722184 0.25000000000000 0.16460017512784 30.974 > 7 22 P 0.90753672722184 0.75000000000000 0.16460017512784 30.974 > 7 23 P 0.82999664241051 0.00000000000000 0.45929080279340 30.974 > 8 24 P 0.82999664241051 0.50000000000000 0.45929080279340 30.974 > 8 25 P 0.59246327277816 0.00000000000000 0.83539982487216 30.974 > 5 26 P 0.59246327277816 0.50000000000000 0.83539982487216 30.974 > 5 27 P 0.67000335758949 0.25000000000000 0.54070919720660 30.974 > 6 28 P 0.67000335758949 0.75000000000000 0.54070919720660 30.974 > 6 29 P 0.40753672722184 0.00000000000000 0.16460017512784 30.974 > 7 30 P 0.40753672722184 0.50000000000000 0.16460017512784 30.974 > 7 31 P 0.32999664241052 0.25000000000000 0.45929080279340 30.974 > 8 32 P 0.32999664241052 0.75000000000000 0.45929080279340 30.974 > 8 *33 O 0.01487297708281 0.25000000000000 0.63135789283057 15.999 > 9 34 O 0.01487297708281 0.75000000000000 0.63135789283057 15.999 > 9 *35 O 0.77408631976035 0.25000000000000 0.52356152429180 15.999 > 10 36 O 0.77408631976035 0.75000000000000 0.52356152429180 15.999 > 10 *37 O 0.23384346439266 0.25000000000000 0.90190455230823 15.999 > 11 38 O 0.23384346439266 0.75000000000000 0.90190455230823 15.999 > 11 39 O 0.22591368023965 0.25000000000000 0.47643847570820 15.999 > 12 40 O 0.22591368023965 0.75000000000000 0.47643847570820 15.999 > 12 *41 O 0.81503052069255 0.09552297139381 0.35928764659251 15.999 > 13 42 O 0.81503052069255 0.59552297139381 0.35928764659251 15.999 > 13 *43 O 0.92953420210639 0.34522124940038 0.10279914140959 15.999 > 14 44 O 0.92953420210639 0.84522124940038 0.10279914140959 15.999 > 14 45 O 0.07046579789361 0.34522124940038 0.89720085859041 15.999 > 15 46 O 0.07046579789361 0.84522124940038 0.89720085859041 15.999 > 15 *47 O 0.61425910909026 0.25000000000000 0.15651853642874 15.999 > 16 48 O 0.61425910909026 0.75000000000000 0.15651853642874 15.999 > 16 49 O 0.18496947930745 0.40447702860619 0.64071235340749 15.999 > 17 50 O 0.18496947930745 0.90447702860619 0.64071235340749 15.999 > 17 *51 O 0.03181795376088 0.00000000000000 0.35332790738041 15.999 > 18 52 O 0.03181795376088 0.50000000000000 0.35332790738041 15.999 > 18 53 O 0.98512702291719 0.25000000000000 0.36864210716943 15.999 > 19 54 O 0.98512702291719 0.75000000000000 0.36864210716943 15.999 > 19 55 O 0.76615653560734 0.25000000000000 0.09809544769177 15.999 > 20 56 O 0.76615653560734 0.75000000000000 0.09809544769177 15.999 > 20 57 O 0.92953420210639 0.15477875059962 0.10279914140959 15.999 > 21 58 O 0.92953420210639 0.65477875059962 0.10279914140959 15.999 > 21 59 O 0.96818204623912 0.00000000000000 0.64667209261959 15.999 > 22 60 O 0.96818204623912 0.50000000000000 0.64667209261959 15.999 > 22 61 O 0.07046579789361 0.15477875059962 0.89720085859041 15.999 > 23 62 O 0.07046579789361 0.65477875059962 0.89720085859041 15.999 > 23 63 O 0.18496947930745 0.09552297139381 0.64071235340749 15.999 > 24 64 O 0.18496947930745 0.59552297139381 0.64071235340749 15.999 > 24 65 O 0.38574089090974 0.25000000000000 0.84348146357126 15.999 > 25 66 O 0.38574089090974 0.75000000000000 0.84348146357126 15.999 > 25 67 O 0.81503052069255 0.40447702860619 0.35928764659251 15.999 > 26 68 O 0.81503052069255 0.90447702860619 0.35928764659251 15.999 > 26 69 O 0.51487297708281 0.00000000000000 0.63135789283057 15.999 > 9 70 O 0.51487297708281 0.50000000000000 0.63135789283057 15.999 > 9 71 O 0.27408631976035 0.00000000000000 0.52356152429180 15.999 > 10 72 O 0.27408631976035 0.50000000000000 0.52356152429180 15.999 > 10 73 O 0.73384346439266 0.00000000000000 0.90190455230823 15.999 > 11 74 O 0.73384346439266 0.50000000000000 0.90190455230823 15.999 > 11 75 O 0.72591368023965 0.00000000000000 0.47643847570820 15.999 > 12 76 O 0.72591368023965 0.50000000000000 0.47643847570820 15.999 > 12 77 O 0.31503052069255 0.34552297139381 0.35928764659251 15.999 > 13 78 O 0.31503052069255 0.84552297139381 0.35928764659251 15.999 > 13 79 O 0.42953420210639 0.09522124940038 0.10279914140959 15.999 > 14 80 O 0.42953420210639 0.59522124940038 0.10279914140959 15.999 > 14 81 O 0.57046579789361 0.09522124940038 0.89720085859041 15.999 > 15 82 O 0.57046579789361 0.59522124940038 0.89720085859041 15.999 > 15 83 O 0.11425910909026 0.00000000000000 0.15651853642874 15.999 > 16 84 O 0.11425910909026 0.50000000000000 0.15651853642874 15.999 > 16 85 O 0.68496947930745 0.15447702860619 0.64071235340749 15.999 > 17 86 O 0.68496947930745 0.65447702860619 0.64071235340749 15.999 > 17 87 O 0.53181795376088 0.25000000000000 0.35332790738041 15.999 > 18 88 O 0.53181795376088 0.75000000000000 0.35332790738041 15.999 > 18 89 O 0.48512702291719 0.00000000000000 0.36864210716943 15.999 > 19 90 O 0.48512702291719 0.50000000000000 0.36864210716943 15.999 > 19 91 O 0.26615653560734 0.00000000000000 0.09809544769177 15.999 > 20 92 O 0.26615653560734 0.50000000000000 0.09809544769177 15.999 > 20 93 O 0.42953420210639 0.40477875059962 0.10279914140959 15.999 > 21 94 O 0.42953420210639 0.90477875059962 0.10279914140959 15.999 > 21 95 O 0.46818204623912 0.25000000000000 0.64667209261959 15.999 > 22 96 O 0.46818204623912 0.75000000000000 0.64667209261959 15.999 > 22 97 O 0.57046579789361 0.40477875059962 0.89720085859041 15.999 > 23 98 O 0.57046579789361 0.90477875059962 0.89720085859041 15.999 > 23 99 O 0.68496947930745 0.34552297139381 0.64071235340749 15.999 > 24 100 O 0.68496947930745 0.84552297139381 0.64071235340749 15.999 > 24 101 O 0.88574089090974 0.00000000000000 0.84348146357126 15.999 > 25 102 O 0.88574089090974 0.50000000000000 0.84348146357126 15.999 > 25 103 O 0.31503052069255 0.15447702860619 0.35928764659251 15.999 > 26 104 O 0.31503052069255 0.65447702860619 0.35928764659251 15.999 > 26 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2798410 0.0000000 0.0254974 0.0000000 3.3872739 0.0000000 0.0254946 0.0000000 3.2672967 -------------------------- Born effective charges -------------------------- 1 Hf 5.3060339 0.0000000 0.2482976 0.0000000 5.4322746 -0.0000000 0.5205392 0.0000000 4.8790723 2 Hf 5.3060339 0.0000000 0.2482976 0.0000000 5.4322746 -0.0000000 0.5205392 0.0000000 4.8790723 3 Hf 4.5487955 0.0000000 0.4068644 0.0000000 5.1770167 -0.0000000 0.0474680 0.0000000 5.5432323 4 Hf 4.5487955 0.0000000 0.4068644 0.0000000 5.1770167 -0.0000000 0.0474680 0.0000000 5.5432323 5 P 4.1831544 0.0000000 -0.2606038 0.0000000 4.6601953 -0.0000000 -0.2320870 0.0000000 3.5305882 6 P 3.8003812 0.0000000 -0.1590885 0.0000000 4.9590982 -0.0000000 -0.1886574 0.0000000 3.9132284 7 P 4.1831544 0.0000000 -0.2606038 0.0000000 4.6601953 -0.0000000 -0.2320870 0.0000000 3.5305882 8 P 3.8003812 0.0000000 -0.1590885 0.0000000 4.9590982 -0.0000000 -0.1886574 0.0000000 3.9132284 9 O -2.1901400 0.0000000 -0.4253712 0.0000000 -1.0730759 -0.0000000 -0.0144254 0.0000000 -2.7720242 10 O -3.1386547 0.0000000 0.7379746 0.0000000 -1.1797871 -0.0000000 0.5791529 0.0000000 -1.4034979 11 O -3.0369457 0.0000000 -0.5642012 0.0000000 -1.1248184 -0.0000000 -0.7150176 0.0000000 -2.2386363 12 O -3.1386547 0.0000000 0.7379746 0.0000000 -1.1797871 -0.0000000 0.5791529 0.0000000 -1.4034979 13 O -1.1737774 -0.3545352 0.1961585 -0.3638554 -3.8081913 0.5534599 0.1924862 0.8272371 -1.3276639 14 O -1.3365278 -1.0283692 0.2073651 -0.7644672 -3.5415507 0.4374906 0.1673133 0.4728322 -1.1373831 15 O -1.3365278 1.0283692 0.2073651 0.7644672 -3.5415507 -0.4374906 0.1673133 -0.4728322 -1.1373831 16 O -3.2535147 0.0000000 -0.5767919 0.0000000 -0.9184473 -0.0000000 -0.7229301 0.0000000 -3.0434158 17 O -1.1737774 -0.3545352 0.1961585 -0.3638554 -3.8081913 0.5534599 0.1924862 0.8272371 -1.3276639 18 O -1.1984994 0.0000000 -0.2141274 0.0000000 -1.2329720 -0.0000000 0.0063584 0.0000000 -3.4784530 19 O -2.1901400 0.0000000 -0.4253712 0.0000000 -1.0730759 -0.0000000 -0.0144254 0.0000000 -2.7720242 20 O -3.0369457 0.0000000 -0.5642012 0.0000000 -1.1248184 -0.0000000 -0.7150176 0.0000000 -2.2386363 21 O -1.3365278 1.0283692 0.2073651 0.7644672 -3.5415507 -0.4374906 0.1673133 -0.4728322 -1.1373831 22 O -1.1984994 0.0000000 -0.2141274 0.0000000 -1.2329720 -0.0000000 0.0063584 0.0000000 -3.4784530 23 O -1.3365278 -1.0283692 0.2073651 -0.7644672 -3.5415507 0.4374906 0.1673133 0.4728322 -1.1373831 24 O -1.1737774 0.3545352 0.1961585 0.3638554 -3.8081913 -0.5534599 0.1924862 -0.8272371 -1.3276639 25 O -3.2535147 0.0000000 -0.5767919 0.0000000 -0.9184473 -0.0000000 -0.7229301 0.0000000 -3.0434158 26 O -1.1737774 0.3545352 0.1961585 0.3638554 -3.8081913 -0.5534599 0.1924862 -0.8272371 -1.3276639 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 15450/15450 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3240 Number of blocks in projector: 3240 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: 838 Use submatrix version of eigh solver. (1) Block: 500 / 838 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 838 / 838 (1) 321 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 514 Use submatrix version of eigh solver. (1) Block: 514 / 514 (2) Block: 250 / 514 (2) 248 eigenvectors found. (2) Block: 514 / 514 (2) 260 eigenvectors found. (2) Complementary block size: 6 (2) Compute compressed projector. (2) Use standard solver. (2) 2 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 514 Use submatrix version of eigh solver. (1) Block: 514 / 514 (2) Block: 250 / 514 (2) 248 eigenvectors found. (2) Block: 514 / 514 (2) 260 eigenvectors found. (2) Complementary block size: 6 (2) Compute compressed projector. (2) Use standard solver. (2) 2 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 458 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 458 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 458 Use standard eigh solver. Tree of FC basis block matrices: - (3240, 3178), data: False |-- (458, 447), data: True |-- (458, 447), data: True |-- (458, 447), data: True |-- (514, 510), data: False |-- (514, 510), data: False |-- (514, 2), data: (514, 6) @ (6, 2) |-- (264, 260), data: True |-- (250, 248), data: True |-- (514, 510), data: False |-- (514, 510), data: False |-- (514, 2), data: (514, 6) @ (6, 2) |-- (264, 260), data: True |-- (250, 248), data: True |-- (838, 817), data: False |-- (838, 17), data: (838, 38) @ (38, 17) |-- (338, 321), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 229), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 800 - Time: 0.804 Solver_block: 200 / 800 - Time: 0.712 Solver_block: 300 / 800 - Time: 0.721 Solver_block: 400 / 800 - Time: 0.713 Solver_block: 500 / 800 - Time: 0.719 Solver_block: 600 / 800 - Time: 0.715 Solver_block: 700 / 800 - Time: 0.712 Solver_block: 800 / 800 - Time: 0.704 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.929 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 312/312 Permutation basis: 15450/15450 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3240 Number of blocks in projector: 3240 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: 838 Use submatrix version of eigh solver. (1) Block: 500 / 838 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 838 / 838 (1) 321 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 514 Use submatrix version of eigh solver. (1) Block: 514 / 514 (2) Block: 250 / 514 (2) 248 eigenvectors found. (2) Block: 514 / 514 (2) 260 eigenvectors found. (2) Complementary block size: 6 (2) Compute compressed projector. (2) Use standard solver. (2) 2 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 514 Use submatrix version of eigh solver. (1) Block: 514 / 514 (2) Block: 250 / 514 (2) 248 eigenvectors found. (2) Block: 514 / 514 (2) 260 eigenvectors found. (2) Complementary block size: 6 (2) Compute compressed projector. (2) Use standard solver. (2) 2 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 458 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 458 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 458 Use standard eigh solver. Tree of FC basis block matrices: - (3240, 3178), data: False |-- (458, 447), data: True |-- (458, 447), data: True |-- (458, 447), data: True |-- (514, 510), data: False |-- (514, 510), data: False |-- (514, 2), data: (514, 6) @ (6, 2) |-- (264, 260), data: True |-- (250, 248), data: True |-- (514, 510), data: False |-- (514, 510), data: False |-- (514, 2), data: (514, 6) @ (6, 2) |-- (264, 260), data: True |-- (250, 248), data: True |-- (838, 817), data: False |-- (838, 17), data: (838, 38) @ (38, 17) |-- (338, 321), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 229), data: True |-- (250, 233), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:59:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:59:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.841408805011174 -3.286064525000001 0.000000000000000 b 6.841408805011174 3.286064525000001 0.000000000000000 c -6.726714277273487 0.000000000000000 7.512139362308438 Atomic positions (fractional): 1 Hf 0.68384072254321 0.68384072254321 0.63587580614863 178.490 2 Hf 0.31615927745679 0.31615927745679 0.36412419385137 178.490 3 Hf 0.94261865153408 0.94261865153408 0.09542178078952 178.490 4 Hf 0.05738134846592 0.05738134846592 0.90457821921048 178.490 5 P 0.59246327277816 0.59246327277816 0.83539982487216 30.974 6 P 0.17000335758949 0.17000335758949 0.54070919720660 30.974 7 P 0.40753672722184 0.40753672722184 0.16460017512784 30.974 8 P 0.82999664241051 0.82999664241051 0.45929080279340 30.974 9 O 0.51487297708281 0.51487297708281 0.63135789283057 15.999 10 O 0.27408631976035 0.27408631976035 0.52356152429180 15.999 11 O 0.73384346439266 0.73384346439266 0.90190455230823 15.999 12 O 0.72591368023965 0.72591368023965 0.47643847570820 15.999 13 O 0.62398457790493 0.00607646348017 0.35928764659251 15.999 14 O 0.23909170330564 0.61997670090714 0.10279914140959 15.999 15 O 0.38002329909286 0.76090829669436 0.89720085859041 15.999 16 O 0.11425910909026 0.11425910909026 0.15651853642874 15.999 17 O 0.37601542209507 0.99392353651983 0.64071235340749 15.999 18 O 0.03181795376088 0.03181795376088 0.35332790738041 15.999 19 O 0.48512702291719 0.48512702291719 0.36864210716943 15.999 20 O 0.26615653560734 0.26615653560734 0.09809544769177 15.999 21 O 0.61997670090714 0.23909170330564 0.10279914140959 15.999 22 O 0.96818204623912 0.96818204623912 0.64667209261959 15.999 23 O 0.76090829669436 0.38002329909286 0.89720085859041 15.999 24 O 0.99392353651983 0.37601542209507 0.64071235340749 15.999 25 O 0.88574089090974 0.88574089090974 0.84348146357126 15.999 26 O 0.00607646348017 0.62398457790493 0.35928764659251 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.682817610022347 0.000000000000000 0.000000000000000 b 0.000000000000000 13.144258100000004 0.000000000000000 c -6.726714277273487 0.000000000000000 7.512139362308438 Atomic positions (fractional): 1 Hf 0.18384072254321 0.25000000000000 0.63587580614863 178.490 > 1 2 Hf 0.18384072254321 0.75000000000000 0.63587580614863 178.490 > 1 3 Hf 0.81615927745679 0.25000000000000 0.36412419385137 178.490 > 3 4 Hf 0.81615927745679 0.75000000000000 0.36412419385137 178.490 > 3 5 Hf 0.94261865153408 0.00000000000000 0.09542178078952 178.490 > 5 6 Hf 0.94261865153408 0.50000000000000 0.09542178078952 178.490 > 5 7 Hf 0.05738134846592 0.00000000000000 0.90457821921048 178.490 > 7 8 Hf 0.05738134846592 0.50000000000000 0.90457821921048 178.490 > 7 9 Hf 0.68384072254321 0.00000000000000 0.63587580614863 178.490 > 1 10 Hf 0.68384072254321 0.50000000000000 0.63587580614863 178.490 > 1 11 Hf 0.31615927745679 0.00000000000000 0.36412419385137 178.490 > 3 12 Hf 0.31615927745679 0.50000000000000 0.36412419385137 178.490 > 3 13 Hf 0.44261865153408 0.25000000000000 0.09542178078952 178.490 > 5 14 Hf 0.44261865153408 0.75000000000000 0.09542178078952 178.490 > 5 15 Hf 0.55738134846592 0.25000000000000 0.90457821921048 178.490 > 7 16 Hf 0.55738134846592 0.75000000000000 0.90457821921048 178.490 > 7 17 P 0.09246327277816 0.25000000000000 0.83539982487216 30.974 > 17 18 P 0.09246327277816 0.75000000000000 0.83539982487216 30.974 > 17 19 P 0.17000335758949 0.00000000000000 0.54070919720660 30.974 > 19 20 P 0.17000335758949 0.50000000000000 0.54070919720660 30.974 > 19 21 P 0.90753672722184 0.25000000000000 0.16460017512784 30.974 > 21 22 P 0.90753672722184 0.75000000000000 0.16460017512784 30.974 > 21 23 P 0.82999664241051 0.00000000000000 0.45929080279340 30.974 > 23 24 P 0.82999664241051 0.50000000000000 0.45929080279340 30.974 > 23 25 P 0.59246327277816 0.00000000000000 0.83539982487216 30.974 > 17 26 P 0.59246327277816 0.50000000000000 0.83539982487216 30.974 > 17 27 P 0.67000335758949 0.25000000000000 0.54070919720660 30.974 > 19 28 P 0.67000335758949 0.75000000000000 0.54070919720660 30.974 > 19 29 P 0.40753672722184 0.00000000000000 0.16460017512784 30.974 > 21 30 P 0.40753672722184 0.50000000000000 0.16460017512784 30.974 > 21 31 P 0.32999664241052 0.25000000000000 0.45929080279340 30.974 > 23 32 P 0.32999664241052 0.75000000000000 0.45929080279340 30.974 > 23 33 O 0.01487297708281 0.25000000000000 0.63135789283057 15.999 > 33 34 O 0.01487297708281 0.75000000000000 0.63135789283057 15.999 > 33 35 O 0.77408631976035 0.25000000000000 0.52356152429180 15.999 > 35 36 O 0.77408631976035 0.75000000000000 0.52356152429180 15.999 > 35 37 O 0.23384346439266 0.25000000000000 0.90190455230823 15.999 > 37 38 O 0.23384346439266 0.75000000000000 0.90190455230823 15.999 > 37 39 O 0.22591368023965 0.25000000000000 0.47643847570820 15.999 > 39 40 O 0.22591368023965 0.75000000000000 0.47643847570820 15.999 > 39 41 O 0.81503052069255 0.09552297139381 0.35928764659251 15.999 > 41 42 O 0.81503052069255 0.59552297139381 0.35928764659251 15.999 > 41 43 O 0.92953420210639 0.34522124940038 0.10279914140959 15.999 > 43 44 O 0.92953420210639 0.84522124940038 0.10279914140959 15.999 > 43 45 O 0.07046579789361 0.34522124940038 0.89720085859041 15.999 > 45 46 O 0.07046579789361 0.84522124940038 0.89720085859041 15.999 > 45 47 O 0.61425910909026 0.25000000000000 0.15651853642874 15.999 > 47 48 O 0.61425910909026 0.75000000000000 0.15651853642874 15.999 > 47 49 O 0.18496947930745 0.40447702860619 0.64071235340749 15.999 > 49 50 O 0.18496947930745 0.90447702860619 0.64071235340749 15.999 > 49 51 O 0.03181795376088 0.00000000000000 0.35332790738041 15.999 > 51 52 O 0.03181795376088 0.50000000000000 0.35332790738041 15.999 > 51 53 O 0.98512702291719 0.25000000000000 0.36864210716943 15.999 > 53 54 O 0.98512702291719 0.75000000000000 0.36864210716943 15.999 > 53 55 O 0.76615653560734 0.25000000000000 0.09809544769177 15.999 > 55 56 O 0.76615653560734 0.75000000000000 0.09809544769177 15.999 > 55 57 O 0.92953420210639 0.15477875059962 0.10279914140959 15.999 > 57 58 O 0.92953420210639 0.65477875059962 0.10279914140959 15.999 > 57 59 O 0.96818204623912 0.00000000000000 0.64667209261959 15.999 > 59 60 O 0.96818204623912 0.50000000000000 0.64667209261959 15.999 > 59 61 O 0.07046579789361 0.15477875059962 0.89720085859041 15.999 > 61 62 O 0.07046579789361 0.65477875059962 0.89720085859041 15.999 > 61 63 O 0.18496947930745 0.09552297139381 0.64071235340749 15.999 > 63 64 O 0.18496947930745 0.59552297139381 0.64071235340749 15.999 > 63 65 O 0.38574089090974 0.25000000000000 0.84348146357126 15.999 > 65 66 O 0.38574089090974 0.75000000000000 0.84348146357126 15.999 > 65 67 O 0.81503052069255 0.40447702860619 0.35928764659251 15.999 > 67 68 O 0.81503052069255 0.90447702860619 0.35928764659251 15.999 > 67 69 O 0.51487297708281 0.00000000000000 0.63135789283057 15.999 > 33 70 O 0.51487297708281 0.50000000000000 0.63135789283057 15.999 > 33 71 O 0.27408631976035 0.00000000000000 0.52356152429180 15.999 > 35 72 O 0.27408631976035 0.50000000000000 0.52356152429180 15.999 > 35 73 O 0.73384346439266 0.00000000000000 0.90190455230823 15.999 > 37 74 O 0.73384346439266 0.50000000000000 0.90190455230823 15.999 > 37 75 O 0.72591368023965 0.00000000000000 0.47643847570820 15.999 > 39 76 O 0.72591368023965 0.50000000000000 0.47643847570820 15.999 > 39 77 O 0.31503052069255 0.34552297139381 0.35928764659251 15.999 > 41 78 O 0.31503052069255 0.84552297139381 0.35928764659251 15.999 > 41 79 O 0.42953420210639 0.09522124940038 0.10279914140959 15.999 > 43 80 O 0.42953420210639 0.59522124940038 0.10279914140959 15.999 > 43 81 O 0.57046579789361 0.09522124940038 0.89720085859041 15.999 > 45 82 O 0.57046579789361 0.59522124940038 0.89720085859041 15.999 > 45 83 O 0.11425910909026 0.00000000000000 0.15651853642874 15.999 > 47 84 O 0.11425910909026 0.50000000000000 0.15651853642874 15.999 > 47 85 O 0.68496947930745 0.15447702860619 0.64071235340749 15.999 > 49 86 O 0.68496947930745 0.65447702860619 0.64071235340749 15.999 > 49 87 O 0.53181795376088 0.25000000000000 0.35332790738041 15.999 > 51 88 O 0.53181795376088 0.75000000000000 0.35332790738041 15.999 > 51 89 O 0.48512702291719 0.00000000000000 0.36864210716943 15.999 > 53 90 O 0.48512702291719 0.50000000000000 0.36864210716943 15.999 > 53 91 O 0.26615653560734 0.00000000000000 0.09809544769177 15.999 > 55 92 O 0.26615653560734 0.50000000000000 0.09809544769177 15.999 > 55 93 O 0.42953420210639 0.40477875059962 0.10279914140959 15.999 > 57 94 O 0.42953420210639 0.90477875059962 0.10279914140959 15.999 > 57 95 O 0.46818204623912 0.25000000000000 0.64667209261959 15.999 > 59 96 O 0.46818204623912 0.75000000000000 0.64667209261959 15.999 > 59 97 O 0.57046579789361 0.40477875059962 0.89720085859041 15.999 > 61 98 O 0.57046579789361 0.90477875059962 0.89720085859041 15.999 > 61 99 O 0.68496947930745 0.34552297139381 0.64071235340749 15.999 > 63 100 O 0.68496947930745 0.84552297139381 0.64071235340749 15.999 > 63 101 O 0.88574089090974 0.00000000000000 0.84348146357126 15.999 > 65 102 O 0.88574089090974 0.50000000000000 0.84348146357126 15.999 > 65 103 O 0.31503052069255 0.15447702860619 0.35928764659251 15.999 > 67 104 O 0.31503052069255 0.65447702860619 0.35928764659251 15.999 > 67 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2798410 0.0000000 0.0254974 0.0000000 3.3872739 0.0000000 0.0254946 0.0000000 3.2672967 -------------------------- Born effective charges -------------------------- 1 Hf 5.3060339 0.0000000 0.2482976 0.0000000 5.4322746 -0.0000000 0.5205392 0.0000000 4.8790723 2 Hf 5.3060339 0.0000000 0.2482976 0.0000000 5.4322746 -0.0000000 0.5205392 0.0000000 4.8790723 3 Hf 4.5487955 0.0000000 0.4068644 0.0000000 5.1770167 -0.0000000 0.0474680 0.0000000 5.5432323 4 Hf 4.5487955 0.0000000 0.4068644 0.0000000 5.1770167 -0.0000000 0.0474680 0.0000000 5.5432323 5 P 4.1831544 0.0000000 -0.2606038 0.0000000 4.6601953 -0.0000000 -0.2320870 0.0000000 3.5305882 6 P 3.8003812 0.0000000 -0.1590885 0.0000000 4.9590982 -0.0000000 -0.1886574 0.0000000 3.9132284 7 P 4.1831544 0.0000000 -0.2606038 0.0000000 4.6601953 -0.0000000 -0.2320870 0.0000000 3.5305882 8 P 3.8003812 0.0000000 -0.1590885 0.0000000 4.9590982 -0.0000000 -0.1886574 0.0000000 3.9132284 9 O -2.1901400 0.0000000 -0.4253712 0.0000000 -1.0730759 -0.0000000 -0.0144254 0.0000000 -2.7720242 10 O -3.1386547 0.0000000 0.7379746 0.0000000 -1.1797871 -0.0000000 0.5791529 0.0000000 -1.4034979 11 O -3.0369457 0.0000000 -0.5642012 0.0000000 -1.1248184 -0.0000000 -0.7150176 0.0000000 -2.2386363 12 O -3.1386547 0.0000000 0.7379746 0.0000000 -1.1797871 -0.0000000 0.5791529 0.0000000 -1.4034979 13 O -1.1737774 -0.3545352 0.1961585 -0.3638554 -3.8081913 0.5534599 0.1924862 0.8272371 -1.3276639 14 O -1.3365278 -1.0283692 0.2073651 -0.7644672 -3.5415507 0.4374906 0.1673133 0.4728322 -1.1373831 15 O -1.3365278 1.0283692 0.2073651 0.7644672 -3.5415507 -0.4374906 0.1673133 -0.4728322 -1.1373831 16 O -3.2535147 0.0000000 -0.5767919 0.0000000 -0.9184473 -0.0000000 -0.7229301 0.0000000 -3.0434158 17 O -1.1737774 -0.3545352 0.1961585 -0.3638554 -3.8081913 0.5534599 0.1924862 0.8272371 -1.3276639 18 O -1.1984994 0.0000000 -0.2141274 0.0000000 -1.2329720 -0.0000000 0.0063584 0.0000000 -3.4784530 19 O -2.1901400 0.0000000 -0.4253712 0.0000000 -1.0730759 -0.0000000 -0.0144254 0.0000000 -2.7720242 20 O -3.0369457 0.0000000 -0.5642012 0.0000000 -1.1248184 -0.0000000 -0.7150176 0.0000000 -2.2386363 21 O -1.3365278 1.0283692 0.2073651 0.7644672 -3.5415507 -0.4374906 0.1673133 -0.4728322 -1.1373831 22 O -1.1984994 0.0000000 -0.2141274 0.0000000 -1.2329720 -0.0000000 0.0063584 0.0000000 -3.4784530 23 O -1.3365278 -1.0283692 0.2073651 -0.7644672 -3.5415507 0.4374906 0.1673133 0.4728322 -1.1373831 24 O -1.1737774 0.3545352 0.1961585 0.3638554 -3.8081913 -0.5534599 0.1924862 -0.8272371 -1.3276639 25 O -3.2535147 0.0000000 -0.5767919 0.0000000 -0.9184473 -0.0000000 -0.7229301 0.0000000 -3.0434158 26 O -1.1737774 0.3545352 0.1961585 0.3638554 -3.8081913 -0.5534599 0.1924862 -0.8272371 -1.3276639 ---------------------------------------------------------------------------- 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] [-0.0067 0.0000 0.0074] [ 0.0067 0.0000 -0.0074] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0067 0.0000 0.0074] [ 0.0067 0.0000 -0.0074] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0067 0.0000 0.0074] [ 0.0067 0.0000 -0.0074] Computing fc3[ 19, 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] [-0.0067 0.0000 0.0074] [ 0.0067 0.0000 -0.0074] 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] [-0.0067 0.0000 0.0074] [ 0.0067 0.0000 -0.0074] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0067 0.0000 0.0074] [ 0.0067 0.0000 -0.0074] Computing fc3[ 37, 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] [-0.0067 0.0000 0.0074] [ 0.0067 0.0000 -0.0074] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0067 0.0000 0.0074] [ 0.0067 0.0000 -0.0074] Computing fc3[ 43, 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] [-0.0067 0.0000 0.0074] [ 0.0067 0.0000 -0.0074] Computing fc3[ 47, 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] [-0.0067 0.0000 0.0074] [ 0.0067 0.0000 -0.0074] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0067 0.0000 0.0074] [ 0.0067 0.0000 -0.0074] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (xxx) 0.00000002 (xxx) 0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:00:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:00:16]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.841408805011174 -3.286064525000001 0.000000000000000 b 6.841408805011174 3.286064525000001 0.000000000000000 c -6.726714277273487 0.000000000000000 7.512139362308438 Atomic positions (fractional): 1 Hf 0.68384072254321 0.68384072254321 0.63587580614863 178.490 2 Hf 0.31615927745679 0.31615927745679 0.36412419385137 178.490 3 Hf 0.94261865153408 0.94261865153408 0.09542178078952 178.490 4 Hf 0.05738134846592 0.05738134846592 0.90457821921048 178.490 5 P 0.59246327277816 0.59246327277816 0.83539982487216 30.974 6 P 0.17000335758949 0.17000335758949 0.54070919720660 30.974 7 P 0.40753672722184 0.40753672722184 0.16460017512784 30.974 8 P 0.82999664241051 0.82999664241051 0.45929080279340 30.974 9 O 0.51487297708281 0.51487297708281 0.63135789283057 15.999 10 O 0.27408631976035 0.27408631976035 0.52356152429180 15.999 11 O 0.73384346439266 0.73384346439266 0.90190455230823 15.999 12 O 0.72591368023965 0.72591368023965 0.47643847570820 15.999 13 O 0.62398457790493 0.00607646348017 0.35928764659251 15.999 14 O 0.23909170330564 0.61997670090714 0.10279914140959 15.999 15 O 0.38002329909286 0.76090829669436 0.89720085859041 15.999 16 O 0.11425910909026 0.11425910909026 0.15651853642874 15.999 17 O 0.37601542209507 0.99392353651983 0.64071235340749 15.999 18 O 0.03181795376088 0.03181795376088 0.35332790738041 15.999 19 O 0.48512702291719 0.48512702291719 0.36864210716943 15.999 20 O 0.26615653560734 0.26615653560734 0.09809544769177 15.999 21 O 0.61997670090714 0.23909170330564 0.10279914140959 15.999 22 O 0.96818204623912 0.96818204623912 0.64667209261959 15.999 23 O 0.76090829669436 0.38002329909286 0.89720085859041 15.999 24 O 0.99392353651983 0.37601542209507 0.64071235340749 15.999 25 O 0.88574089090974 0.88574089090974 0.84348146357126 15.999 26 O 0.00607646348017 0.62398457790493 0.35928764659251 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.682817610022347 0.000000000000000 0.000000000000000 b 0.000000000000000 13.144258100000004 0.000000000000000 c -6.726714277273487 0.000000000000000 7.512139362308438 Atomic positions (fractional): 1 Hf 0.18384072254321 0.25000000000000 0.63587580614863 178.490 > 1 2 Hf 0.18384072254321 0.75000000000000 0.63587580614863 178.490 > 1 3 Hf 0.81615927745679 0.25000000000000 0.36412419385137 178.490 > 3 4 Hf 0.81615927745679 0.75000000000000 0.36412419385137 178.490 > 3 5 Hf 0.94261865153408 0.00000000000000 0.09542178078952 178.490 > 5 6 Hf 0.94261865153408 0.50000000000000 0.09542178078952 178.490 > 5 7 Hf 0.05738134846592 0.00000000000000 0.90457821921048 178.490 > 7 8 Hf 0.05738134846592 0.50000000000000 0.90457821921048 178.490 > 7 9 Hf 0.68384072254321 0.00000000000000 0.63587580614863 178.490 > 1 10 Hf 0.68384072254321 0.50000000000000 0.63587580614863 178.490 > 1 11 Hf 0.31615927745679 0.00000000000000 0.36412419385137 178.490 > 3 12 Hf 0.31615927745679 0.50000000000000 0.36412419385137 178.490 > 3 13 Hf 0.44261865153408 0.25000000000000 0.09542178078952 178.490 > 5 14 Hf 0.44261865153408 0.75000000000000 0.09542178078952 178.490 > 5 15 Hf 0.55738134846592 0.25000000000000 0.90457821921048 178.490 > 7 16 Hf 0.55738134846592 0.75000000000000 0.90457821921048 178.490 > 7 17 P 0.09246327277816 0.25000000000000 0.83539982487216 30.974 > 17 18 P 0.09246327277816 0.75000000000000 0.83539982487216 30.974 > 17 19 P 0.17000335758949 0.00000000000000 0.54070919720660 30.974 > 19 20 P 0.17000335758949 0.50000000000000 0.54070919720660 30.974 > 19 21 P 0.90753672722184 0.25000000000000 0.16460017512784 30.974 > 21 22 P 0.90753672722184 0.75000000000000 0.16460017512784 30.974 > 21 23 P 0.82999664241051 0.00000000000000 0.45929080279340 30.974 > 23 24 P 0.82999664241051 0.50000000000000 0.45929080279340 30.974 > 23 25 P 0.59246327277816 0.00000000000000 0.83539982487216 30.974 > 17 26 P 0.59246327277816 0.50000000000000 0.83539982487216 30.974 > 17 27 P 0.67000335758949 0.25000000000000 0.54070919720660 30.974 > 19 28 P 0.67000335758949 0.75000000000000 0.54070919720660 30.974 > 19 29 P 0.40753672722184 0.00000000000000 0.16460017512784 30.974 > 21 30 P 0.40753672722184 0.50000000000000 0.16460017512784 30.974 > 21 31 P 0.32999664241052 0.25000000000000 0.45929080279340 30.974 > 23 32 P 0.32999664241052 0.75000000000000 0.45929080279340 30.974 > 23 33 O 0.01487297708281 0.25000000000000 0.63135789283057 15.999 > 33 34 O 0.01487297708281 0.75000000000000 0.63135789283057 15.999 > 33 35 O 0.77408631976035 0.25000000000000 0.52356152429180 15.999 > 35 36 O 0.77408631976035 0.75000000000000 0.52356152429180 15.999 > 35 37 O 0.23384346439266 0.25000000000000 0.90190455230823 15.999 > 37 38 O 0.23384346439266 0.75000000000000 0.90190455230823 15.999 > 37 39 O 0.22591368023965 0.25000000000000 0.47643847570820 15.999 > 39 40 O 0.22591368023965 0.75000000000000 0.47643847570820 15.999 > 39 41 O 0.81503052069255 0.09552297139381 0.35928764659251 15.999 > 41 42 O 0.81503052069255 0.59552297139381 0.35928764659251 15.999 > 41 43 O 0.92953420210639 0.34522124940038 0.10279914140959 15.999 > 43 44 O 0.92953420210639 0.84522124940038 0.10279914140959 15.999 > 43 45 O 0.07046579789361 0.34522124940038 0.89720085859041 15.999 > 45 46 O 0.07046579789361 0.84522124940038 0.89720085859041 15.999 > 45 47 O 0.61425910909026 0.25000000000000 0.15651853642874 15.999 > 47 48 O 0.61425910909026 0.75000000000000 0.15651853642874 15.999 > 47 49 O 0.18496947930745 0.40447702860619 0.64071235340749 15.999 > 49 50 O 0.18496947930745 0.90447702860619 0.64071235340749 15.999 > 49 51 O 0.03181795376088 0.00000000000000 0.35332790738041 15.999 > 51 52 O 0.03181795376088 0.50000000000000 0.35332790738041 15.999 > 51 53 O 0.98512702291719 0.25000000000000 0.36864210716943 15.999 > 53 54 O 0.98512702291719 0.75000000000000 0.36864210716943 15.999 > 53 55 O 0.76615653560734 0.25000000000000 0.09809544769177 15.999 > 55 56 O 0.76615653560734 0.75000000000000 0.09809544769177 15.999 > 55 57 O 0.92953420210639 0.15477875059962 0.10279914140959 15.999 > 57 58 O 0.92953420210639 0.65477875059962 0.10279914140959 15.999 > 57 59 O 0.96818204623912 0.00000000000000 0.64667209261959 15.999 > 59 60 O 0.96818204623912 0.50000000000000 0.64667209261959 15.999 > 59 61 O 0.07046579789361 0.15477875059962 0.89720085859041 15.999 > 61 62 O 0.07046579789361 0.65477875059962 0.89720085859041 15.999 > 61 63 O 0.18496947930745 0.09552297139381 0.64071235340749 15.999 > 63 64 O 0.18496947930745 0.59552297139381 0.64071235340749 15.999 > 63 65 O 0.38574089090974 0.25000000000000 0.84348146357126 15.999 > 65 66 O 0.38574089090974 0.75000000000000 0.84348146357126 15.999 > 65 67 O 0.81503052069255 0.40447702860619 0.35928764659251 15.999 > 67 68 O 0.81503052069255 0.90447702860619 0.35928764659251 15.999 > 67 69 O 0.51487297708281 0.00000000000000 0.63135789283057 15.999 > 33 70 O 0.51487297708281 0.50000000000000 0.63135789283057 15.999 > 33 71 O 0.27408631976035 0.00000000000000 0.52356152429180 15.999 > 35 72 O 0.27408631976035 0.50000000000000 0.52356152429180 15.999 > 35 73 O 0.73384346439266 0.00000000000000 0.90190455230823 15.999 > 37 74 O 0.73384346439266 0.50000000000000 0.90190455230823 15.999 > 37 75 O 0.72591368023965 0.00000000000000 0.47643847570820 15.999 > 39 76 O 0.72591368023965 0.50000000000000 0.47643847570820 15.999 > 39 77 O 0.31503052069255 0.34552297139381 0.35928764659251 15.999 > 41 78 O 0.31503052069255 0.84552297139381 0.35928764659251 15.999 > 41 79 O 0.42953420210639 0.09522124940038 0.10279914140959 15.999 > 43 80 O 0.42953420210639 0.59522124940038 0.10279914140959 15.999 > 43 81 O 0.57046579789361 0.09522124940038 0.89720085859041 15.999 > 45 82 O 0.57046579789361 0.59522124940038 0.89720085859041 15.999 > 45 83 O 0.11425910909026 0.00000000000000 0.15651853642874 15.999 > 47 84 O 0.11425910909026 0.50000000000000 0.15651853642874 15.999 > 47 85 O 0.68496947930745 0.15447702860619 0.64071235340749 15.999 > 49 86 O 0.68496947930745 0.65447702860619 0.64071235340749 15.999 > 49 87 O 0.53181795376088 0.25000000000000 0.35332790738041 15.999 > 51 88 O 0.53181795376088 0.75000000000000 0.35332790738041 15.999 > 51 89 O 0.48512702291719 0.00000000000000 0.36864210716943 15.999 > 53 90 O 0.48512702291719 0.50000000000000 0.36864210716943 15.999 > 53 91 O 0.26615653560734 0.00000000000000 0.09809544769177 15.999 > 55 92 O 0.26615653560734 0.50000000000000 0.09809544769177 15.999 > 55 93 O 0.42953420210639 0.40477875059962 0.10279914140959 15.999 > 57 94 O 0.42953420210639 0.90477875059962 0.10279914140959 15.999 > 57 95 O 0.46818204623912 0.25000000000000 0.64667209261959 15.999 > 59 96 O 0.46818204623912 0.75000000000000 0.64667209261959 15.999 > 59 97 O 0.57046579789361 0.40477875059962 0.89720085859041 15.999 > 61 98 O 0.57046579789361 0.90477875059962 0.89720085859041 15.999 > 61 99 O 0.68496947930745 0.34552297139381 0.64071235340749 15.999 > 63 100 O 0.68496947930745 0.84552297139381 0.64071235340749 15.999 > 63 101 O 0.88574089090974 0.00000000000000 0.84348146357126 15.999 > 65 102 O 0.88574089090974 0.50000000000000 0.84348146357126 15.999 > 65 103 O 0.31503052069255 0.15447702860619 0.35928764659251 15.999 > 67 104 O 0.31503052069255 0.65447702860619 0.35928764659251 15.999 > 67 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2798410 0.0000000 0.0254974 0.0000000 3.3872739 0.0000000 0.0254946 0.0000000 3.2672967 -------------------------- Born effective charges -------------------------- 1 Hf 5.3060339 0.0000000 0.2482976 0.0000000 5.4322746 -0.0000000 0.5205392 0.0000000 4.8790723 2 Hf 5.3060339 0.0000000 0.2482976 0.0000000 5.4322746 -0.0000000 0.5205392 0.0000000 4.8790723 3 Hf 4.5487955 0.0000000 0.4068644 0.0000000 5.1770167 -0.0000000 0.0474680 0.0000000 5.5432323 4 Hf 4.5487955 0.0000000 0.4068644 0.0000000 5.1770167 -0.0000000 0.0474680 0.0000000 5.5432323 5 P 4.1831544 0.0000000 -0.2606038 0.0000000 4.6601953 -0.0000000 -0.2320870 0.0000000 3.5305882 6 P 3.8003812 0.0000000 -0.1590885 0.0000000 4.9590982 -0.0000000 -0.1886574 0.0000000 3.9132284 7 P 4.1831544 0.0000000 -0.2606038 0.0000000 4.6601953 -0.0000000 -0.2320870 0.0000000 3.5305882 8 P 3.8003812 0.0000000 -0.1590885 0.0000000 4.9590982 -0.0000000 -0.1886574 0.0000000 3.9132284 9 O -2.1901400 0.0000000 -0.4253712 0.0000000 -1.0730759 -0.0000000 -0.0144254 0.0000000 -2.7720242 10 O -3.1386547 0.0000000 0.7379746 0.0000000 -1.1797871 -0.0000000 0.5791529 0.0000000 -1.4034979 11 O -3.0369457 0.0000000 -0.5642012 0.0000000 -1.1248184 -0.0000000 -0.7150176 0.0000000 -2.2386363 12 O -3.1386547 0.0000000 0.7379746 0.0000000 -1.1797871 -0.0000000 0.5791529 0.0000000 -1.4034979 13 O -1.1737774 -0.3545352 0.1961585 -0.3638554 -3.8081913 0.5534599 0.1924862 0.8272371 -1.3276639 14 O -1.3365278 -1.0283692 0.2073651 -0.7644672 -3.5415507 0.4374906 0.1673133 0.4728322 -1.1373831 15 O -1.3365278 1.0283692 0.2073651 0.7644672 -3.5415507 -0.4374906 0.1673133 -0.4728322 -1.1373831 16 O -3.2535147 0.0000000 -0.5767919 0.0000000 -0.9184473 -0.0000000 -0.7229301 0.0000000 -3.0434158 17 O -1.1737774 -0.3545352 0.1961585 -0.3638554 -3.8081913 0.5534599 0.1924862 0.8272371 -1.3276639 18 O -1.1984994 0.0000000 -0.2141274 0.0000000 -1.2329720 -0.0000000 0.0063584 0.0000000 -3.4784530 19 O -2.1901400 0.0000000 -0.4253712 0.0000000 -1.0730759 -0.0000000 -0.0144254 0.0000000 -2.7720242 20 O -3.0369457 0.0000000 -0.5642012 0.0000000 -1.1248184 -0.0000000 -0.7150176 0.0000000 -2.2386363 21 O -1.3365278 1.0283692 0.2073651 0.7644672 -3.5415507 -0.4374906 0.1673133 -0.4728322 -1.1373831 22 O -1.1984994 0.0000000 -0.2141274 0.0000000 -1.2329720 -0.0000000 0.0063584 0.0000000 -3.4784530 23 O -1.3365278 -1.0283692 0.2073651 -0.7644672 -3.5415507 0.4374906 0.1673133 0.4728322 -1.1373831 24 O -1.1737774 0.3545352 0.1961585 0.3638554 -3.8081913 -0.5534599 0.1924862 -0.8272371 -1.3276639 25 O -3.2535147 0.0000000 -0.5767919 0.0000000 -0.9184473 -0.0000000 -0.7229301 0.0000000 -3.0434158 26 O -1.1737774 0.3545352 0.1961585 0.3638554 -3.8081913 -0.5534599 0.1924862 -0.8272371 -1.3276639 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xxx) 0.00000002 (xxx) 0.00000002 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.60, Number of G-points: 293, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/160) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.615 ( 0.000 0.000 0.000) 0.000 1.808 ( 0.000 0.000 0.000) 0.000 2.612 ( 0.000 0.000 0.000) 0.000 3.016 ( 0.000 0.000 0.000) 0.000 3.136 ( 0.000 0.000 0.000) 0.000 3.272 ( 0.000 0.000 0.000) 0.000 3.571 ( 0.000 0.000 0.000) 0.000 3.706 ( 0.000 0.000 0.000) 0.000 3.906 ( 0.000 0.000 0.000) 0.000 4.132 ( 0.000 0.000 0.000) 0.000 4.493 ( 0.000 0.000 0.000) 0.000 4.729 ( 0.000 0.000 0.000) 0.000 4.779 ( 0.000 0.000 0.000) 0.000 5.029 ( 0.000 0.000 0.000) 0.000 5.587 ( 0.000 0.000 0.000) 0.000 5.894 ( 0.000 0.000 0.000) 0.000 6.181 ( 0.000 0.000 0.000) 0.000 6.402 ( 0.000 0.000 0.000) 0.000 6.599 ( 0.000 0.000 0.000) 0.000 6.707 ( 0.000 0.000 0.000) 0.000 7.067 ( 0.000 0.000 0.000) 0.000 7.089 ( 0.000 0.000 0.000) 0.000 7.193 ( 0.000 0.000 0.000) 0.000 7.481 ( 0.000 0.000 0.000) 0.000 7.723 ( 0.000 0.000 0.000) 0.000 7.789 ( 0.000 0.000 0.000) 0.000 8.235 ( 0.000 0.000 0.000) 0.000 8.334 ( 0.000 0.000 0.000) 0.000 8.413 ( 0.000 0.000 0.000) 0.000 8.821 ( 0.000 0.000 0.000) 0.000 9.067 ( 0.000 0.000 0.000) 0.000 9.565 ( 0.000 0.000 0.000) 0.000 9.609 ( 0.000 0.000 0.000) 0.000 9.758 ( 0.000 0.000 0.000) 0.000 10.120 ( 0.000 0.000 0.000) 0.000 10.571 ( 0.000 0.000 0.000) 0.000 11.357 ( 0.000 0.000 0.000) 0.000 11.623 ( 0.000 0.000 0.000) 0.000 11.669 ( 0.000 0.000 0.000) 0.000 12.209 ( 0.000 0.000 0.000) 0.000 12.862 ( 0.000 0.000 0.000) 0.000 13.420 ( 0.000 0.000 0.000) 0.000 13.963 ( 0.000 0.000 0.000) 0.000 15.392 ( 0.000 0.000 0.000) 0.000 15.482 ( 0.000 0.000 0.000) 0.000 15.644 ( 0.000 0.000 0.000) 0.000 15.807 ( 0.000 0.000 0.000) 0.000 16.099 ( 0.000 0.000 0.000) 0.000 16.160 ( 0.000 0.000 0.000) 0.000 16.413 ( 0.000 0.000 0.000) 0.000 16.498 ( 0.000 0.000 0.000) 0.000 17.562 ( 0.000 0.000 0.000) 0.000 17.908 ( 0.000 0.000 0.000) 0.000 18.262 ( 0.000 0.000 0.000) 0.000 18.495 ( 0.000 0.000 0.000) 0.000 19.045 ( 0.000 0.000 0.000) 0.000 19.204 ( 0.000 0.000 0.000) 0.000 19.448 ( 0.000 0.000 0.000) 0.000 21.395 ( 0.000 0.000 0.000) 0.000 27.724 ( 0.000 0.000 0.000) 0.000 28.579 ( 0.000 0.000 0.000) 0.000 29.627 ( 0.000 0.000 0.000) 0.000 29.868 ( 0.000 0.000 0.000) 0.000 30.133 ( 0.000 0.000 0.000) 0.000 30.184 ( 0.000 0.000 0.000) 0.000 30.187 ( 0.000 0.000 0.000) 0.000 30.426 ( 0.000 0.000 0.000) 0.000 30.657 ( 0.000 0.000 0.000) 0.000 30.796 ( 0.000 0.000 0.000) 0.000 31.433 ( 0.000 0.000 0.000) 0.000 32.573 ( 0.000 0.000 0.000) 0.000 32.600 ( 0.000 0.000 0.000) 0.000 32.605 ( 0.000 0.000 0.000) 0.000 33.725 ( 0.000 0.000 0.000) 0.000 33.785 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/160) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 10.119 -23.002 7.226) 26.147 0.747 ( 29.544 -15.140 32.648) 46.561 1.470 ( 7.368 -77.552 5.684) 78.108 2.051 ( -4.992 -44.368 0.283) 44.649 2.236 ( 6.471 -38.797 2.569) 39.417 2.829 ( -1.315 -18.873 -1.432) 18.972 2.996 ( -3.445 -2.155 -2.405) 4.722 3.171 ( 2.136 -1.621 -1.903) 3.288 3.382 ( 0.643 -17.400 -2.515) 17.593 3.623 ( -1.090 -12.826 -10.442) 16.575 3.827 ( -3.392 -8.850 7.281) 11.952 3.911 ( -5.805 -2.760 1.439) 6.587 4.153 ( -0.455 -5.125 -2.065) 5.545 4.579 ( -1.523 -7.753 1.619) 8.066 4.715 ( -6.200 -2.726 -0.796) 6.820 4.842 ( 9.633 0.072 -2.484) 9.948 5.224 ( 22.185 16.530 15.716) 31.818 5.532 ( 3.800 8.023 -0.038) 8.877 5.875 ( -1.950 2.279 1.827) 3.512 6.182 ( -0.306 5.067 2.799) 5.796 6.302 ( 4.225 11.266 0.695) 12.052 6.616 ( -7.388 1.581 -3.363) 8.270 6.750 ( -7.218 -5.639 -1.131) 9.229 6.974 ( -5.756 3.708 -2.412) 7.260 7.133 ( 8.162 7.656 1.992) 11.366 7.229 ( -0.491 6.172 -0.624) 6.223 7.517 ( 6.361 1.988 -3.323) 7.447 7.650 ( -0.240 6.650 -0.808) 6.703 7.792 ( 6.811 3.100 3.812) 8.398 8.282 ( 1.156 -3.272 3.478) 4.913 8.482 ( 1.373 -9.667 1.686) 9.909 8.555 ( 2.480 -11.171 1.050) 11.491 8.808 ( 3.510 6.383 3.375) 8.029 9.071 ( -2.912 -2.087 0.333) 3.598 9.616 ( -3.803 -10.673 -4.579) 12.220 9.810 ( 3.123 -9.601 4.991) 11.262 10.148 ( -0.777 -5.645 -2.757) 6.330 10.625 ( 2.382 -3.790 1.987) 4.898 11.286 ( -4.358 2.258 -6.241) 7.940 11.567 ( -9.736 -22.112 -47.013) 52.858 11.616 ( -2.513 3.922 1.076) 4.780 11.744 ( -6.818 -23.630 -45.387) 51.622 12.627 ( -64.002 -2.135 53.408) 83.386 12.882 ( -4.472 -1.505 5.907) 7.560 13.594 ( 15.510 6.267 -0.430) 16.734 13.974 ( -1.450 -1.157 1.428) 2.341 15.352 ( -4.247 -0.322 -3.338) 5.411 15.532 ( 1.932 -0.333 5.438) 5.780 15.723 ( 1.411 8.529 11.337) 14.257 15.891 ( -4.804 -0.333 11.658) 12.613 16.051 ( -3.220 1.398 -4.639) 5.818 16.172 ( 1.469 1.764 5.063) 5.560 16.391 ( 0.141 2.778 -0.797) 2.893 16.502 ( 1.393 -0.867 -1.434) 2.179 17.641 ( 10.965 4.538 -0.558) 11.880 17.899 ( -1.568 -0.519 -1.691) 2.364 18.275 ( 0.726 3.673 -0.151) 3.747 18.507 ( 3.103 -0.354 -1.810) 3.609 19.070 ( 5.827 5.540 -6.940) 10.621 19.278 ( 7.308 -1.166 -2.741) 7.892 19.799 ( 47.617 30.840 24.438) 61.772 21.394 ( 0.105 1.376 3.121) 3.413 27.872 ( 9.151 15.555 19.462) 26.541 28.598 ( 1.167 0.623 4.812) 4.990 29.659 ( 5.102 5.028 1.220) 7.267 29.848 ( -3.615 0.307 -0.705) 3.696 30.137 ( 1.531 0.368 -0.004) 1.574 30.153 ( 0.132 3.152 0.109) 3.156 30.414 ( 2.908 2.173 -0.268) 3.640 30.595 ( 0.428 6.380 -0.827) 6.447 30.792 ( -0.966 -3.854 -2.040) 4.466 31.189 ( 4.167 13.416 7.386) 15.872 31.582 ( 4.703 -6.184 2.966) 8.316 32.405 ( -0.642 12.877 -0.233) 12.895 32.674 ( -7.531 -7.990 -0.536) 10.993 33.713 ( 4.775 -10.725 -17.123) 20.761 34.060 ( 1.858 -14.521 19.210) 24.152 36.117 ( -76.868 -73.323 -78.064) 131.829 ======================= Grid point 2 (3/160) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 9.254 -22.561 8.667) 25.880 1.455 ( 28.236 -13.444 30.339) 43.571 2.605 ( -3.912 -16.171 -9.745) 19.281 2.762 ( 6.006 -57.997 2.453) 58.359 2.971 ( 1.102 -35.332 -5.112) 35.717 3.000 ( -0.149 -22.144 2.011) 22.236 3.194 ( 0.820 -10.307 8.712) 13.521 3.234 ( 0.839 -14.291 -2.619) 14.553 3.739 ( -3.072 -21.159 0.147) 21.381 3.776 ( -2.049 -9.501 -8.138) 12.677 3.914 ( -9.623 -7.077 -2.905) 12.294 4.128 ( 4.248 -25.807 1.781) 26.215 4.346 ( -4.002 -20.187 0.998) 20.604 4.605 ( -7.779 -4.796 -2.941) 9.601 4.831 ( 5.528 -1.598 -1.750) 6.015 4.947 ( -0.807 -14.278 1.012) 14.337 5.249 ( 12.132 6.021 5.262) 14.530 5.399 ( 6.268 10.745 -0.767) 12.463 5.807 ( -1.752 5.211 1.201) 5.628 6.018 ( -0.864 12.838 1.386) 12.941 6.181 ( 1.090 7.506 -1.420) 7.717 6.506 ( -6.911 2.424 -1.475) 7.471 6.714 ( -5.605 0.809 -5.950) 8.214 6.846 ( -1.345 10.555 -1.926) 10.813 6.909 ( -0.710 9.108 -0.757) 9.167 7.247 ( 5.526 2.261 4.536) 7.498 7.491 ( -5.089 0.466 0.218) 5.115 7.585 ( 4.386 2.839 1.936) 5.571 7.846 ( 6.978 0.534 4.170) 8.147 8.391 ( 2.786 -3.197 5.061) 6.603 8.654 ( 2.624 -5.206 -1.738) 6.084 8.729 ( 0.956 -7.036 -2.989) 7.704 8.802 ( 1.973 -3.324 0.786) 3.945 9.125 ( -3.820 -7.243 3.168) 8.780 9.781 ( -4.234 -14.386 -1.994) 15.128 10.055 ( 3.081 -10.294 3.487) 11.297 10.276 ( -0.534 -13.700 -3.029) 14.041 10.733 ( 2.612 -4.054 1.238) 4.979 11.164 ( -3.923 1.943 -5.731) 7.212 11.451 ( -5.581 -4.073 -25.927) 26.832 11.545 ( -3.986 1.636 -1.691) 4.628 11.736 ( -1.492 -3.348 -11.542) 12.110 12.516 ( -21.654 6.018 22.737) 31.970 12.918 ( -2.537 -1.140 5.511) 6.173 13.630 ( 9.465 1.765 1.467) 9.739 13.987 ( -2.409 -0.448 1.722) 2.994 15.309 ( -3.615 -0.785 -1.795) 4.112 15.577 ( -0.597 0.156 3.455) 3.510 15.652 ( 1.924 7.550 3.567) 8.569 15.909 ( -3.529 0.770 -3.258) 4.864 16.013 ( -0.979 -1.770 6.295) 6.612 16.182 ( -1.223 2.031 3.370) 4.120 16.320 ( -0.188 3.910 0.657) 3.969 16.528 ( 4.162 -0.678 -2.177) 4.746 17.653 ( 4.568 1.983 1.573) 5.223 17.881 ( -2.128 -1.457 -3.027) 3.977 18.224 ( 0.333 1.114 -2.636) 2.881 18.524 ( 3.369 -0.509 -3.058) 4.578 18.989 ( -0.806 2.401 -2.489) 3.551 19.289 ( -0.600 1.020 -2.392) 2.669 19.858 ( 23.786 10.571 7.442) 27.072 21.398 ( 0.312 1.924 5.103) 5.462 27.816 ( 2.179 6.714 5.121) 8.721 28.640 ( 1.329 0.702 6.532) 6.703 29.626 ( 0.642 1.128 -1.412) 1.918 29.794 ( -5.928 0.233 -1.983) 6.256 30.103 ( 0.538 2.815 -0.046) 2.866 30.140 ( 1.212 0.218 -1.202) 1.720 30.381 ( 5.216 5.682 -0.154) 7.715 30.468 ( 0.586 8.655 2.000) 8.903 30.806 ( -0.277 1.700 1.817) 2.504 31.078 ( 0.409 6.815 2.891) 7.414 31.702 ( 2.378 -2.343 1.429) 3.631 32.179 ( -0.015 12.043 -0.716) 12.064 32.763 ( -10.998 -13.025 -2.036) 17.168 33.895 ( 7.543 -15.692 -11.816) 21.042 34.504 ( 5.280 -18.364 14.559) 24.022 36.175 ( -37.125 -36.459 -35.113) 62.773 ======================= Grid point 3 (4/160) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 6.584 -18.696 10.764) 22.556 2.081 ( 25.347 -9.293 26.022) 37.496 2.510 ( -1.709 2.533 -15.471) 15.769 3.163 ( -2.225 -7.121 -6.802) 10.096 3.317 ( 0.014 -7.820 3.475) 8.558 3.451 ( -3.196 -17.722 1.275) 18.053 3.481 ( -6.978 -14.019 -3.620) 16.073 3.780 ( 3.823 -22.147 5.254) 23.080 3.851 ( 4.275 -22.112 -4.310) 22.930 4.034 ( -3.132 -15.906 -0.937) 16.239 4.075 ( -4.037 -20.347 -0.203) 20.745 4.529 ( -6.483 -6.296 -2.752) 9.447 4.621 ( 6.563 -17.973 -2.330) 19.275 4.760 ( 1.734 -4.615 -1.899) 5.283 4.842 ( -3.207 -15.953 3.170) 16.578 5.180 ( -2.072 -4.598 -0.723) 5.095 5.266 ( 7.906 1.884 7.201) 10.859 5.388 ( 2.511 -8.091 -2.530) 8.842 5.706 ( -0.477 5.465 0.410) 5.501 5.830 ( 3.077 12.466 4.204) 13.510 6.008 ( -5.320 7.308 -5.999) 10.849 6.338 ( -0.946 10.997 -2.833) 11.396 6.584 ( -6.603 4.730 -9.443) 12.456 6.667 ( 6.647 4.346 4.105) 8.940 6.858 ( -6.092 -1.326 -0.453) 6.252 7.240 ( -0.731 4.457 3.321) 5.607 7.472 ( 2.656 -0.107 -0.392) 2.687 7.605 ( -0.525 0.100 3.694) 3.733 7.947 ( 4.986 -2.956 3.751) 6.904 8.485 ( 2.127 -0.755 5.176) 5.647 8.689 ( 4.110 1.762 3.522) 5.692 8.802 ( 1.246 -3.740 -8.980) 9.807 8.880 ( -4.112 -6.961 -1.497) 8.222 9.299 ( 0.268 -10.695 3.007) 11.113 9.962 ( -3.556 -10.436 0.420) 11.033 10.208 ( 0.446 -4.081 1.329) 4.316 10.555 ( 1.417 -18.780 -1.908) 18.930 10.800 ( -0.158 -2.944 -0.795) 3.053 11.093 ( 0.339 1.802 -1.549) 2.400 11.272 ( -3.556 2.353 -14.346) 14.966 11.477 ( -3.422 1.122 -1.060) 3.754 11.650 ( -1.471 5.373 -4.099) 6.916 12.428 ( -7.007 4.855 11.144) 14.030 12.957 ( -0.794 -0.911 4.020) 4.197 13.707 ( 7.190 -1.219 1.763) 7.503 13.967 ( -3.267 1.243 0.999) 3.636 15.297 ( -1.722 -1.041 0.116) 2.016 15.513 ( -3.571 5.914 1.069) 6.991 15.619 ( 1.817 0.198 0.350) 1.861 15.842 ( -0.137 0.896 -4.057) 4.157 16.090 ( -6.054 4.572 0.966) 7.648 16.109 ( 1.071 -2.182 3.175) 3.998 16.323 ( 0.494 -0.537 6.256) 6.298 16.549 ( 4.945 0.691 -2.963) 5.806 17.670 ( 1.944 0.715 1.922) 2.825 17.875 ( -1.223 -1.943 -2.940) 3.731 18.207 ( 1.063 -0.363 -2.309) 2.568 18.535 ( 2.665 -0.658 -3.244) 4.250 18.943 ( -1.818 0.625 0.129) 1.926 19.210 ( -3.290 3.068 -3.858) 5.927 19.923 ( 12.713 3.706 2.259) 13.433 21.408 ( 0.392 1.530 4.764) 5.019 27.765 ( 0.408 3.142 1.161) 3.375 28.683 ( 0.736 0.403 5.260) 5.327 29.616 ( 0.307 -0.791 -1.517) 1.739 29.723 ( -5.291 0.336 -2.656) 5.930 30.070 ( 1.459 1.740 -0.780) 2.401 30.137 ( -0.220 -1.316 -2.470) 2.808 30.308 ( 2.334 7.289 1.633) 7.826 30.351 ( 1.415 8.348 3.911) 9.327 30.782 ( 0.354 1.449 1.534) 2.139 30.991 ( -0.843 4.899 0.271) 4.979 31.729 ( 1.124 1.404 1.541) 2.368 32.009 ( 0.442 7.336 -0.808) 7.393 32.897 ( -8.319 -12.899 -2.039) 15.484 34.140 ( 5.485 -13.495 -6.625) 16.003 34.930 ( 6.358 -14.486 10.250) 18.850 36.223 ( -21.154 -20.020 -18.653) 34.587 ======================= Grid point 4 (5/160) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 2.340 -11.557 10.687) 15.914 2.264 ( 2.002 6.656 -9.943) 12.132 2.604 ( 13.628 -6.010 13.633) 20.192 3.163 ( -7.257 -2.688 -7.704) 10.920 3.354 ( -0.153 2.497 2.110) 3.273 3.395 ( -4.311 -0.587 -5.809) 7.258 3.772 ( -1.519 -10.399 4.928) 11.607 3.990 ( 3.110 -12.233 -6.033) 13.990 4.223 ( -1.433 -6.445 1.660) 6.808 4.276 ( 1.110 -11.311 0.814) 11.395 4.308 ( -2.782 -2.283 0.113) 3.601 4.401 ( -0.919 5.146 -0.846) 5.296 4.818 ( 2.309 -7.783 -3.279) 8.755 4.871 ( 2.695 -2.532 1.986) 4.198 5.096 ( 1.684 -5.197 -1.406) 5.641 5.204 ( -4.953 -5.080 1.109) 7.181 5.405 ( 6.741 -3.972 8.294) 11.402 5.523 ( -4.168 -5.612 0.722) 7.028 5.640 ( 2.243 3.071 -6.195) 7.269 5.698 ( 1.626 6.979 4.702) 8.571 5.797 ( -5.242 5.264 -4.887) 8.892 6.188 ( 2.107 4.643 -1.151) 5.227 6.454 ( -3.077 0.094 -3.635) 4.763 6.719 ( 6.634 0.287 3.219) 7.379 6.810 ( -6.688 -0.162 -2.300) 7.075 7.174 ( -1.441 2.591 1.027) 3.137 7.508 ( 3.273 -0.409 -0.256) 3.308 7.613 ( -1.933 0.050 1.988) 2.773 8.050 ( 2.101 -2.122 1.830) 3.502 8.524 ( 0.552 0.452 2.449) 2.551 8.730 ( 2.161 0.259 4.177) 4.710 8.774 ( -0.211 -0.347 -6.200) 6.214 8.934 ( -2.042 -3.304 -1.441) 4.143 9.471 ( 0.964 -5.627 0.740) 5.756 10.070 ( -0.778 -3.910 0.486) 4.016 10.229 ( -1.334 0.938 0.699) 1.774 10.771 ( -0.523 -5.556 -3.712) 6.702 10.895 ( 0.666 -7.626 2.156) 7.953 11.068 ( 2.008 1.238 0.345) 2.384 11.145 ( -1.072 1.816 -4.459) 4.932 11.437 ( -2.518 1.076 -0.395) 2.766 11.504 ( -0.397 5.560 -1.541) 5.783 12.397 ( -1.388 1.368 3.409) 3.927 12.987 ( -0.102 -0.389 1.549) 1.601 13.802 ( 5.133 -2.317 1.079) 5.734 13.909 ( -3.820 2.243 -0.047) 4.430 15.314 ( 0.293 -0.987 0.869) 1.348 15.406 ( -2.331 3.025 -0.704) 3.884 15.642 ( 0.476 -1.009 0.282) 1.150 15.820 ( 1.623 0.191 -1.870) 2.484 15.963 ( -3.837 3.427 -0.205) 5.149 16.166 ( 0.620 -0.930 0.857) 1.408 16.396 ( -1.108 -2.002 5.154) 5.639 16.539 ( 3.004 1.435 -2.861) 4.390 17.685 ( 0.560 0.101 0.849) 1.022 17.879 ( -0.290 -0.930 -1.188) 1.536 18.211 ( 0.542 -0.363 -0.873) 1.090 18.541 ( 1.090 -0.360 -1.566) 1.941 18.941 ( -0.611 -0.541 1.423) 1.640 19.107 ( -1.983 2.331 -2.894) 4.212 19.964 ( 4.045 0.884 0.487) 4.169 21.418 ( 0.178 0.568 1.943) 2.033 27.737 ( 0.043 0.924 0.146) 0.936 28.710 ( 0.156 0.122 1.994) 2.003 29.629 ( 0.488 -0.800 -0.328) 0.993 29.671 ( -2.198 0.101 -1.533) 2.682 30.057 ( 1.062 0.072 -1.074) 1.512 30.150 ( -0.205 -2.528 -2.595) 3.629 30.200 ( -1.016 6.303 2.914) 7.018 30.288 ( 1.467 3.407 2.053) 4.239 30.801 ( 0.816 -1.538 0.988) 2.002 30.906 ( -0.990 3.433 -0.829) 3.668 31.718 ( 0.364 1.107 0.786) 1.405 31.927 ( 0.237 2.346 -0.341) 2.382 33.001 ( -2.975 -5.281 -0.804) 6.115 34.303 ( 1.889 -5.272 -2.123) 5.989 35.200 ( 3.210 -5.479 4.078) 7.546 36.237 ( -7.556 -6.527 -6.400) 11.860 ======================= Grid point 10 (6/160) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 19.247 -0.000 14.994) 24.398 0.570 ( 27.297 -0.000 11.430) 29.593 1.306 ( 37.851 -0.000 44.858) 58.694 1.578 ( -4.922 0.000 4.422) 6.616 1.937 ( 7.707 -0.000 4.517) 8.933 2.588 ( -1.976 0.000 -1.004) 2.217 2.931 ( -4.503 0.000 -6.332) 7.770 3.142 ( 1.384 -0.000 -1.753) 2.233 3.247 ( 4.891 -0.000 -7.413) 8.881 3.403 ( -1.018 0.000 -13.048) 13.088 3.747 ( -8.220 0.000 8.494) 11.820 3.852 ( -10.491 0.000 2.209) 10.721 4.096 ( 1.126 -0.000 -4.867) 4.995 4.520 ( -0.986 0.000 3.596) 3.729 4.591 ( -10.573 0.000 -5.069) 11.725 4.874 ( 8.332 -0.000 -5.821) 10.164 5.631 ( 5.496 -0.000 -2.678) 6.114 5.764 ( 5.530 -0.000 -4.810) 7.329 5.897 ( -3.185 0.000 4.981) 5.913 6.389 ( -9.215 0.000 1.326) 9.310 6.418 ( -2.323 0.000 -3.673) 4.346 6.552 ( 0.482 -0.000 0.815) 0.947 6.592 ( -15.118 0.000 7.302) 16.789 6.962 ( -4.132 0.000 -5.430) 6.823 7.168 ( -3.543 0.000 1.858) 4.000 7.285 ( 7.607 -0.000 5.161) 9.192 7.612 ( 16.923 -0.000 -19.542) 25.851 7.747 ( 4.186 -0.000 -1.533) 4.457 7.845 ( 7.826 -0.000 -2.332) 8.166 8.344 ( 7.635 -0.000 4.565) 8.895 8.467 ( 4.928 -0.000 1.580) 5.175 8.582 ( -6.919 0.000 11.581) 13.490 9.007 ( -6.332 0.000 -0.060) 6.332 9.268 ( 5.723 -0.000 -12.345) 13.607 9.419 ( -5.036 0.000 -5.846) 7.716 9.674 ( 0.309 -0.000 -0.594) 0.670 9.799 ( 1.848 -0.000 3.673) 4.111 10.067 ( -0.636 0.000 -4.714) 4.756 10.651 ( 4.070 -0.000 5.185) 6.591 11.197 ( -6.936 0.000 -8.909) 11.290 11.662 ( -1.746 0.000 3.634) 4.031 11.752 ( 5.434 -0.000 3.723) 6.587 12.557 ( -31.759 0.000 33.206) 45.948 12.889 ( -2.527 0.000 6.550) 7.020 13.704 ( 7.066 -0.000 -2.375) 7.455 13.968 ( -0.835 0.000 1.311) 1.554 15.293 ( -3.485 0.000 -2.519) 4.300 15.577 ( -0.185 0.000 4.414) 4.418 15.814 ( 0.505 -0.000 0.493) 0.706 15.964 ( -14.034 0.000 19.487) 24.014 16.004 ( -3.259 0.000 -4.291) 5.388 16.221 ( -0.880 0.000 3.714) 3.817 16.433 ( 3.519 -0.000 -0.504) 3.555 16.492 ( 1.709 -0.000 -2.701) 3.196 17.716 ( 4.699 -0.000 -4.298) 6.368 17.939 ( 3.902 -0.000 -0.195) 3.907 18.291 ( -4.574 0.000 -2.021) 5.001 18.517 ( 4.085 -0.000 -3.545) 5.409 19.090 ( 0.868 -0.000 -8.916) 8.959 19.324 ( 2.221 -0.000 5.060) 5.526 20.756 ( 12.551 -0.000 -33.522) 35.795 21.494 ( 0.806 -0.000 9.154) 9.189 28.320 ( -8.269 0.000 -4.238) 9.292 28.740 ( -9.674 0.000 22.099) 24.124 29.803 ( -5.903 0.000 -1.572) 6.109 30.099 ( -1.474 0.000 -2.036) 2.513 30.173 ( -0.838 0.000 -0.122) 0.846 30.198 ( 0.413 -0.000 0.472) 0.628 30.233 ( 1.233 -0.000 -2.457) 2.749 30.644 ( 2.041 -0.000 -2.062) 2.901 30.653 ( 7.379 -0.000 -4.492) 8.638 31.422 ( -1.053 0.000 -0.519) 1.174 32.471 ( -34.154 0.000 20.993) 40.090 32.563 ( -0.992 0.000 -0.043) 0.993 32.604 ( 23.696 -0.000 -28.820) 37.311 32.617 ( 0.860 -0.000 0.410) 0.953 33.485 ( -0.962 0.000 -13.199) 13.234 34.300 ( 23.694 -0.000 15.598) 28.367 ======================= Grid point 11 (7/160) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 19.806 -11.339 16.711) 28.286 1.509 ( 16.919 -46.470 11.687) 50.816 1.982 ( 5.017 -37.180 10.580) 38.980 2.084 ( 20.870 -28.245 25.983) 43.686 2.397 ( 7.225 -34.946 3.202) 35.829 2.748 ( -2.677 -10.814 -3.737) 11.751 2.868 ( -1.539 -11.706 -7.864) 14.186 3.187 ( 1.132 -1.683 -1.651) 2.615 3.318 ( -3.268 -18.688 -5.035) 19.628 3.466 ( 3.764 -14.050 -9.657) 17.459 3.757 ( -12.997 0.010 -1.295) 13.061 3.836 ( -8.498 -12.957 6.635) 16.856 4.096 ( 0.402 -4.862 -6.448) 8.086 4.472 ( -6.764 -1.120 -5.078) 8.532 4.639 ( -4.196 -11.748 2.273) 12.680 4.902 ( 7.417 0.130 -4.344) 8.596 5.558 ( 5.719 10.275 -3.125) 12.168 5.633 ( 6.937 11.519 -1.044) 13.487 5.890 ( -2.253 3.303 5.806) 7.049 6.204 ( -2.512 9.638 0.348) 9.966 6.296 ( -8.096 5.176 -5.615) 11.129 6.476 ( -6.067 3.041 6.614) 9.476 6.607 ( -1.055 -0.179 -1.424) 1.781 6.848 ( -4.029 2.315 -4.855) 6.720 7.166 ( -3.482 5.067 0.816) 6.202 7.334 ( 4.053 4.121 4.466) 7.304 7.524 ( 5.904 6.666 -4.105) 9.805 7.690 ( 5.831 3.863 -2.841) 7.550 7.970 ( 8.005 -0.729 2.562) 8.436 8.425 ( 1.150 4.005 6.442) 7.673 8.519 ( 4.724 -7.804 1.027) 9.180 8.639 ( 5.231 -4.285 -0.901) 6.821 8.914 ( 2.008 8.511 3.164) 9.299 9.012 ( -5.074 -2.378 2.099) 5.984 9.476 ( -5.357 -12.962 -3.396) 14.431 9.929 ( 1.676 -10.257 3.821) 11.073 10.075 ( 0.166 -5.185 -4.598) 6.932 10.433 ( -13.381 -51.931 -29.564) 61.236 10.752 ( 3.097 -3.436 4.409) 6.390 11.076 ( -6.650 -0.513 -7.536) 10.064 11.635 ( -1.228 4.284 2.597) 5.158 11.795 ( 3.787 2.951 3.804) 6.125 12.536 ( -17.418 0.675 16.429) 23.953 12.930 ( -2.801 -0.738 8.220) 8.715 13.737 ( 7.516 1.455 -0.756) 7.693 13.971 ( -1.832 -0.378 1.301) 2.279 15.266 ( -1.720 -0.541 -0.092) 1.806 15.583 ( -3.134 0.322 1.676) 3.569 15.798 ( 0.462 3.856 1.996) 4.367 15.903 ( -3.667 3.530 -1.381) 5.274 16.027 ( -4.303 -1.854 11.244) 12.181 16.215 ( -2.871 1.553 1.525) 3.603 16.404 ( 2.240 4.318 0.325) 4.876 16.528 ( 5.013 -2.187 -2.923) 6.202 17.727 ( 4.951 0.317 -2.360) 5.493 17.924 ( 4.197 5.330 0.963) 6.852 18.220 ( -1.904 1.546 -3.269) 4.087 18.519 ( 3.369 -0.180 -4.407) 5.550 19.016 ( 0.351 2.316 -5.114) 5.625 19.339 ( -1.180 3.915 5.562) 6.903 20.342 ( 12.624 22.686 -13.078) 29.070 21.505 ( 0.261 4.489 9.356) 10.381 28.070 ( -0.428 14.649 0.368) 14.660 28.750 ( -3.461 4.443 14.128) 15.210 29.731 ( -3.027 3.186 -4.883) 6.569 29.743 ( 0.890 11.088 0.555) 11.138 30.142 ( -0.755 1.448 -0.858) 1.845 30.166 ( 1.447 2.772 -0.619) 3.187 30.456 ( 1.524 -4.376 -0.603) 4.673 30.604 ( 1.352 4.713 0.260) 4.909 30.765 ( 1.079 -6.701 -0.962) 6.855 31.295 ( -1.037 12.924 2.230) 13.155 31.796 ( 8.587 14.246 6.807) 17.973 32.357 ( -7.139 5.815 0.086) 9.208 32.496 ( -6.470 0.229 -3.093) 7.175 33.549 ( 9.925 -18.013 -22.403) 30.412 34.044 ( -27.734 -62.818 -10.848) 69.519 34.876 ( 6.616 -36.992 6.552) 38.146 ======================= Grid point 12 (8/160) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 15.014 -13.466 17.148) 26.473 2.289 ( 19.220 -16.550 21.048) 32.960 2.454 ( 4.724 -0.417 -7.679) 9.026 2.855 ( -1.282 -35.656 0.098) 35.679 2.915 ( 2.684 -19.142 -5.499) 20.096 3.114 ( 2.234 -23.252 11.164) 25.890 3.174 ( 0.805 -29.568 -2.151) 29.657 3.352 ( 4.673 -21.729 4.394) 22.656 3.630 ( -3.158 -12.443 -10.135) 16.357 3.677 ( -6.657 -17.086 -1.518) 18.400 3.710 ( -1.311 -14.360 -0.633) 14.433 4.176 ( -0.890 -24.491 -3.506) 24.757 4.242 ( -9.325 -24.880 0.306) 26.572 4.477 ( 3.311 -6.504 -2.639) 7.761 4.857 ( -6.424 -15.245 0.922) 16.569 4.907 ( 2.837 0.714 -2.630) 3.934 5.430 ( 3.323 5.131 -3.338) 6.965 5.478 ( 5.655 10.963 -2.336) 12.555 5.833 ( -0.806 6.779 6.140) 9.182 6.011 ( -5.915 8.425 -1.819) 10.454 6.127 ( 1.713 8.290 -1.724) 8.639 6.405 ( -6.874 3.461 0.975) 7.758 6.534 ( 0.272 5.559 -4.104) 6.915 6.765 ( -4.572 0.857 -3.100) 5.590 6.985 ( 2.877 12.808 3.234) 13.520 7.277 ( -6.603 3.462 3.426) 8.205 7.510 ( 7.326 1.496 -1.431) 7.613 7.662 ( 2.476 3.117 1.423) 4.227 8.035 ( 6.822 1.959 5.195) 8.796 8.454 ( -1.149 -4.061 -2.277) 4.796 8.665 ( -1.339 -5.623 -3.366) 6.689 8.751 ( 9.302 -4.478 0.641) 10.344 8.833 ( -0.820 4.424 2.827) 5.314 9.139 ( -0.108 -10.273 3.551) 10.870 9.680 ( -6.326 -16.538 0.135) 17.707 10.144 ( 2.407 -5.670 1.350) 6.306 10.219 ( -0.434 -18.733 -2.633) 18.922 10.727 ( -3.045 -11.828 -13.345) 18.090 10.862 ( -7.420 -15.821 -12.625) 21.558 11.048 ( -1.440 -4.057 -0.579) 4.344 11.547 ( -1.335 6.432 2.051) 6.882 11.760 ( 1.645 6.565 2.271) 7.139 12.493 ( -8.896 2.201 8.572) 12.549 12.980 ( -2.046 -0.399 7.685) 7.963 13.772 ( 6.917 0.805 0.007) 6.964 13.961 ( -2.810 0.391 0.521) 2.884 15.280 ( 0.015 -0.831 2.156) 2.311 15.538 ( -6.012 1.658 0.172) 6.238 15.716 ( 1.705 6.966 1.510) 7.329 15.833 ( -0.033 1.146 -2.324) 2.591 16.118 ( -1.857 -2.114 9.657) 10.059 16.130 ( -5.011 4.697 -1.039) 6.947 16.377 ( 1.443 1.628 2.667) 3.442 16.575 ( 5.743 -0.418 -3.320) 6.647 17.745 ( 5.251 1.594 -0.532) 5.514 17.871 ( 3.015 4.007 0.479) 5.037 18.181 ( -0.076 -0.590 -3.188) 3.243 18.518 ( 2.355 -0.613 -3.756) 4.476 18.962 ( 1.850 1.597 -2.467) 3.473 19.264 ( -2.690 6.300 3.809) 7.838 20.096 ( 6.595 8.702 -7.767) 13.400 21.492 ( -0.760 3.762 6.708) 7.728 27.886 ( 1.185 8.579 0.904) 8.708 28.747 ( -2.524 2.567 7.601) 8.411 29.619 ( 2.069 2.491 -3.638) 4.870 29.670 ( -4.433 0.380 -1.182) 4.603 30.098 ( -2.101 1.160 -0.160) 2.406 30.121 ( 1.210 2.479 -2.625) 3.808 30.462 ( 3.250 5.227 0.612) 6.185 30.530 ( 2.122 7.100 3.536) 8.211 30.816 ( -0.850 0.554 0.973) 1.406 31.108 ( -1.286 9.278 1.348) 9.463 31.784 ( 3.485 1.774 2.760) 4.786 32.162 ( -0.410 10.785 -1.247) 10.864 32.532 ( -11.667 -15.001 -2.613) 19.183 33.825 ( 6.481 -20.472 -13.288) 25.252 34.586 ( -13.270 -34.193 -7.133) 37.365 35.520 ( -0.510 -31.206 3.039) 31.358 ======================= Grid point 13 (9/160) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 8.450 -10.389 17.141) 21.752 2.317 ( 4.158 6.644 -12.401) 14.670 2.704 ( 3.577 -0.953 5.157) 6.348 3.023 ( -0.555 -8.086 3.947) 9.015 3.247 ( -0.101 -12.493 -2.972) 12.842 3.365 ( -0.828 -2.474 -0.967) 2.782 3.498 ( -1.364 -19.463 4.851) 20.105 3.789 ( 2.511 -9.354 -6.521) 11.676 3.956 ( 2.792 -25.192 -3.300) 25.560 3.965 ( 1.523 -26.451 1.776) 26.554 4.093 ( 0.821 -21.111 5.861) 21.925 4.362 ( -5.215 -8.218 -3.397) 10.309 4.730 ( -2.379 -23.224 2.389) 23.467 4.738 ( 6.315 -15.489 -1.426) 16.787 4.846 ( 0.468 -1.830 0.291) 1.911 5.077 ( -5.749 -12.479 -3.397) 14.153 5.352 ( -1.414 0.027 -2.235) 2.644 5.417 ( 2.976 -1.597 -3.998) 5.233 5.738 ( -0.567 8.673 3.915) 9.533 5.841 ( -2.277 5.093 -0.337) 5.589 5.970 ( 3.946 13.706 2.136) 14.422 6.308 ( 0.151 7.701 -1.304) 7.812 6.371 ( -3.432 1.643 -4.233) 5.692 6.706 ( -4.900 -1.049 -2.380) 5.547 6.905 ( 4.332 5.355 6.292) 9.329 7.184 ( -7.369 2.919 2.883) 8.434 7.518 ( 2.792 1.379 -2.330) 3.889 7.645 ( 2.089 2.119 1.081) 3.166 8.104 ( 5.583 0.659 4.203) 7.020 8.467 ( -2.429 -2.832 -6.548) 7.536 8.684 ( -4.207 -3.565 -5.129) 7.531 8.802 ( -0.189 1.974 5.969) 6.290 8.912 ( 8.828 -3.263 3.047) 9.893 9.343 ( 2.183 -10.218 -0.123) 10.450 9.890 ( -6.687 -13.114 1.207) 14.770 10.227 ( -0.177 -1.764 0.750) 1.925 10.525 ( -0.074 -17.014 -4.004) 17.479 10.771 ( -0.560 -7.626 -3.125) 8.260 10.973 ( -4.453 -12.791 -10.794) 17.319 11.113 ( 2.628 -0.988 0.841) 2.931 11.447 ( -2.626 4.288 1.300) 5.194 11.635 ( 0.036 9.658 0.699) 9.684 12.448 ( -3.397 2.689 4.207) 6.039 13.013 ( -1.338 0.739 5.452) 5.662 13.821 ( 4.727 -0.624 -0.236) 4.774 13.917 ( -2.805 1.959 -0.330) 3.437 15.317 ( 0.982 -0.659 2.706) 2.953 15.442 ( -4.249 3.610 0.270) 5.582 15.661 ( 2.345 2.438 1.032) 3.536 15.821 ( 1.728 -0.254 -1.329) 2.194 15.987 ( -5.112 5.009 -1.625) 7.339 16.188 ( 0.013 -0.398 4.945) 4.961 16.402 ( -1.861 -0.833 5.285) 5.664 16.575 ( 4.884 2.179 -4.820) 7.200 17.738 ( 3.708 3.332 0.430) 5.004 17.867 ( 3.083 -0.456 -0.694) 3.193 18.183 ( -0.329 -1.604 -1.759) 2.404 18.526 ( 1.217 -0.912 -1.608) 2.213 18.957 ( 4.282 0.465 -1.391) 4.526 19.170 ( -1.050 5.518 4.530) 7.216 19.984 ( -0.634 2.410 -6.442) 6.907 21.460 ( -1.680 3.024 2.895) 4.511 27.796 ( 1.358 4.527 1.123) 4.858 28.730 ( -2.343 1.475 2.336) 3.622 29.604 ( 1.262 -1.265 -2.961) 3.458 29.646 ( -1.208 -0.833 0.534) 1.561 30.066 ( -0.045 2.220 -1.240) 2.543 30.082 ( -1.837 -1.831 -2.222) 3.415 30.356 ( 0.210 9.341 1.979) 9.550 30.443 ( 2.328 8.628 4.032) 9.804 30.800 ( -0.099 0.246 0.929) 0.966 30.972 ( -1.152 6.052 -0.822) 6.215 31.778 ( 1.497 3.499 2.010) 4.304 32.004 ( 0.526 6.744 -1.054) 6.846 32.734 ( -8.081 -18.453 -1.397) 20.194 34.108 ( 3.403 -15.995 -7.515) 17.997 34.917 ( -11.215 -23.143 -8.697) 27.148 35.993 ( 5.264 -18.610 7.495) 20.742 ======================= Grid point 14 (10/160) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 2.849 9.675 -2.912) 10.498 2.199 ( -3.988 -2.045 0.368) 4.497 2.541 ( -8.379 5.569 -5.227) 11.337 3.223 ( 0.521 -7.213 1.197) 7.330 3.333 ( 0.646 2.470 -1.477) 2.949 3.456 ( 10.403 -5.369 10.795) 15.924 3.793 ( -1.330 -5.332 0.036) 5.495 3.975 ( 2.591 -17.439 -1.874) 17.730 4.213 ( 1.380 -7.183 -3.418) 8.074 4.254 ( -0.199 -5.358 1.637) 5.606 4.333 ( -1.862 0.640 3.050) 3.630 4.403 ( 1.022 -4.607 0.715) 4.773 4.801 ( 0.898 -2.252 -2.343) 3.372 4.958 ( 1.646 0.267 1.838) 2.482 5.084 ( 0.997 -10.544 -3.563) 11.174 5.123 ( -4.347 -4.396 -0.764) 6.229 5.379 ( -5.047 -5.839 -5.073) 9.236 5.476 ( -1.058 -6.341 -1.774) 6.669 5.577 ( 0.754 10.040 -4.547) 11.048 5.790 ( 0.530 6.158 3.395) 7.051 5.871 ( 7.951 1.291 8.668) 11.834 6.146 ( -4.131 3.904 -1.865) 5.982 6.415 ( -1.435 -5.539 0.815) 5.779 6.676 ( -1.824 -0.530 -1.263) 2.281 6.927 ( 4.260 2.101 5.478) 7.251 7.124 ( -4.596 0.042 2.218) 5.103 7.473 ( -2.466 1.167 -3.059) 4.099 7.635 ( 2.919 1.537 -1.884) 3.799 8.122 ( 3.371 4.666 1.139) 5.868 8.438 ( -2.073 -2.538 -7.067) 7.790 8.644 ( -6.870 -1.558 -4.414) 8.313 8.851 ( 2.761 -0.053 7.353) 7.855 9.029 ( 7.018 0.656 3.882) 8.047 9.481 ( 1.205 -3.805 -1.660) 4.323 10.016 ( -5.683 -6.843 -0.009) 8.895 10.223 ( 0.192 0.342 -0.343) 0.521 10.702 ( -1.531 -10.449 -3.106) 11.008 10.946 ( 2.072 -6.507 1.215) 6.936 11.045 ( 0.195 -3.418 -3.485) 4.885 11.135 ( 1.262 0.988 1.069) 1.927 11.384 ( -3.021 -1.299 -0.507) 3.327 11.510 ( 0.523 3.884 1.235) 4.109 12.402 ( -0.640 2.809 -0.029) 2.881 13.008 ( -0.857 1.973 2.184) 3.065 13.803 ( -3.543 3.205 -1.655) 5.056 13.906 ( 3.127 -1.419 -0.169) 3.438 15.332 ( 0.073 1.176 1.091) 1.606 15.404 ( 1.193 -0.208 1.791) 2.162 15.658 ( 0.428 1.205 0.289) 1.311 15.823 ( -0.884 0.932 0.801) 1.514 15.923 ( 0.823 -2.835 -1.147) 3.167 16.203 ( 0.661 1.675 1.771) 2.526 16.417 ( -3.380 2.001 3.176) 5.051 16.527 ( 2.415 1.459 -4.366) 5.199 17.709 ( 2.028 2.674 -0.700) 3.428 17.906 ( 3.456 -0.625 0.608) 3.564 18.196 ( -1.343 -1.382 -0.105) 1.930 18.541 ( -0.649 -0.551 0.967) 1.288 18.975 ( 6.518 1.564 -1.794) 6.938 19.159 ( 2.122 1.320 8.038) 8.417 19.885 ( -7.520 0.308 -6.472) 9.926 21.409 ( -2.084 1.829 -0.885) 2.910 27.761 ( 1.490 2.274 1.327) 3.025 28.693 ( -2.135 0.921 -1.653) 2.853 29.622 ( 0.690 -1.366 -0.958) 1.805 29.688 ( 2.353 -2.114 2.216) 3.862 30.031 ( -1.481 -0.285 -1.705) 2.277 30.102 ( -1.319 -3.820 -2.035) 4.525 30.223 ( -0.859 6.359 2.327) 6.826 30.338 ( 1.024 7.619 1.707) 7.875 30.817 ( -0.441 0.513 0.687) 0.964 30.887 ( 0.361 0.933 -0.923) 1.361 31.733 ( 0.502 3.100 0.240) 3.149 31.928 ( 0.210 2.255 0.010) 2.264 32.951 ( -2.514 -11.655 0.178) 11.924 34.280 ( -0.142 -6.690 -2.887) 7.288 35.046 ( -10.021 -10.113 -9.684) 17.218 36.357 ( 10.787 -8.939 10.904) 17.753 ======================= Grid point 15 (11/160) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -2.750 17.333 -8.509) 19.504 1.926 ( -16.963 13.123 -15.341) 26.369 2.603 ( 4.285 -3.376 16.422) 17.304 3.221 ( -2.368 -0.621 -10.973) 11.243 3.359 ( 1.178 0.592 6.733) 6.860 3.652 ( 5.412 3.996 4.882) 8.312 3.743 ( 6.129 3.927 -1.010) 7.348 4.032 ( -2.018 14.687 4.679) 15.546 4.207 ( -2.165 13.343 -0.273) 13.521 4.244 ( 1.839 8.079 -1.464) 8.414 4.380 ( 3.115 6.400 1.160) 7.212 4.450 ( 3.128 -15.107 1.416) 15.493 4.746 ( -4.322 4.860 -2.862) 7.105 4.849 ( -3.873 9.795 -1.163) 10.597 5.087 ( -2.563 0.979 1.872) 3.321 5.167 ( -1.096 1.197 -5.717) 5.943 5.239 ( -1.123 13.021 -2.653) 13.336 5.526 ( 3.351 -3.544 -3.764) 6.161 5.602 ( -1.737 -9.578 -1.162) 9.803 5.713 ( 0.680 7.100 4.298) 8.328 6.034 ( 7.990 -2.332 6.340) 10.463 6.126 ( -5.113 -9.145 1.068) 10.532 6.469 ( -5.112 -4.105 -1.988) 6.850 6.711 ( 4.182 -1.391 4.944) 6.623 6.961 ( 4.562 1.626 2.725) 5.557 7.132 ( -3.557 -2.646 -0.519) 4.463 7.427 ( -1.930 -1.200 -2.192) 3.158 7.599 ( 0.351 1.931 -3.960) 4.420 8.023 ( 1.142 8.415 -0.904) 8.540 8.416 ( -1.455 -1.473 -5.670) 6.036 8.586 ( -6.031 -1.995 -2.968) 7.012 8.922 ( 2.275 1.337 7.339) 7.799 9.045 ( 4.810 5.902 2.259) 7.942 9.434 ( -0.666 7.365 -2.006) 7.662 10.040 ( -2.339 -0.937 -0.712) 2.618 10.242 ( 1.550 -0.394 -0.921) 1.845 10.819 ( -1.268 3.070 3.681) 4.958 10.867 ( 1.555 7.655 -2.941) 8.347 11.031 ( -1.278 1.063 -0.290) 1.688 11.210 ( 0.227 -9.228 2.044) 9.454 11.472 ( 1.134 -2.842 0.228) 3.069 11.586 ( 1.863 -11.853 6.242) 13.525 12.345 ( 1.252 1.130 -6.219) 6.444 12.971 ( -0.139 2.346 -0.563) 2.416 13.689 ( -4.659 4.090 -1.919) 6.489 13.958 ( 2.412 -1.860 -0.662) 3.117 15.333 ( 2.003 0.658 1.607) 2.651 15.456 ( 1.774 -2.741 0.743) 3.349 15.617 ( -1.824 1.776 -1.271) 2.846 15.838 ( -0.786 -2.235 2.695) 3.588 16.032 ( 4.104 -6.400 -0.080) 7.603 16.171 ( 0.679 4.249 1.230) 4.476 16.313 ( -1.604 4.998 -4.716) 7.056 16.522 ( -1.393 -0.901 0.549) 1.748 17.672 ( 0.932 2.219 -1.309) 2.740 17.945 ( 3.752 0.743 2.125) 4.375 18.205 ( -1.748 -0.808 1.117) 2.226 18.543 ( -2.153 0.282 2.071) 3.001 18.996 ( 8.184 2.128 0.466) 8.469 19.247 ( 2.806 -1.115 8.061) 8.608 19.747 ( -13.557 -0.099 -7.875) 15.679 21.361 ( -1.643 0.202 -2.859) 3.304 27.754 ( 1.327 1.023 0.782) 1.849 28.642 ( -2.072 0.702 -3.585) 4.200 29.639 ( 0.852 0.083 0.599) 1.045 29.775 ( 5.432 -1.630 3.222) 6.522 30.020 ( -4.251 -1.998 -0.285) 4.706 30.167 ( 0.268 -5.861 -2.180) 6.259 30.185 ( -1.143 -0.233 2.373) 2.644 30.242 ( -0.301 2.941 -1.997) 3.567 30.768 ( -0.914 1.950 -1.210) 2.470 30.935 ( 0.970 -3.422 0.606) 3.608 31.702 ( -0.124 0.330 -0.688) 0.773 31.929 ( -0.104 -2.279 0.338) 2.306 33.063 ( 2.406 -0.717 1.314) 2.833 34.280 ( -3.360 4.004 0.720) 5.276 34.959 ( -7.007 3.894 -8.883) 11.965 36.631 ( 14.058 -1.542 12.931) 19.162 ======================= Grid point 16 (12/160) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -9.306 19.927 -10.126) 24.213 1.416 ( -8.473 22.662 -9.232) 25.896 2.817 ( 4.829 -1.719 17.299) 18.043 3.121 ( -2.283 -0.100 -13.090) 13.288 3.309 ( -0.507 12.828 4.638) 13.650 3.463 ( 1.399 15.962 -1.175) 16.066 3.622 ( -2.560 36.883 -5.307) 37.351 3.647 ( 3.137 31.020 4.010) 31.435 3.902 ( 0.491 5.025 3.232) 5.995 4.061 ( 0.971 14.906 -0.263) 14.940 4.171 ( 3.781 14.747 0.358) 15.228 4.567 ( -2.855 21.521 1.110) 21.738 4.609 ( 2.379 7.134 0.366) 7.529 4.749 ( -2.509 -7.664 2.587) 8.469 4.852 ( 0.832 17.007 -6.520) 18.233 5.039 ( -4.328 3.453 -1.004) 5.627 5.171 ( -2.232 -2.376 -0.732) 3.341 5.396 ( 0.067 16.247 0.299) 16.250 5.729 ( 1.184 -4.599 0.822) 4.820 5.773 ( -0.626 -13.397 0.247) 13.414 6.145 ( 3.866 -0.807 2.272) 4.556 6.386 ( -2.325 -21.448 0.974) 21.595 6.495 ( -1.742 -5.701 -2.006) 6.289 6.835 ( 3.146 -3.816 6.734) 8.355 6.980 ( 6.025 3.786 1.308) 7.235 7.123 ( -4.329 -2.717 -3.652) 6.282 7.463 ( 0.612 -4.297 -0.628) 4.385 7.527 ( -2.686 1.436 -3.477) 4.623 7.871 ( -0.511 8.470 -0.984) 8.542 8.375 ( -1.652 0.837 -2.902) 3.442 8.592 ( -2.114 -4.378 -1.543) 5.101 8.916 ( -1.048 7.171 6.368) 9.648 8.943 ( 2.667 9.950 -0.873) 10.339 9.260 ( 0.564 9.123 -2.299) 9.425 9.993 ( 0.806 5.984 -0.035) 6.038 10.186 ( -0.170 7.722 -0.647) 7.751 10.551 ( -0.794 17.110 0.480) 17.136 10.809 ( 0.114 6.270 0.148) 6.272 11.120 ( 0.126 -8.333 1.324) 8.439 11.373 ( 0.252 -8.222 0.814) 8.266 11.525 ( -0.032 -3.067 0.025) 3.068 11.945 ( 2.439 -13.485 24.678) 28.227 12.315 ( 6.855 -6.384 -20.800) 22.812 12.928 ( 0.625 1.776 -1.588) 2.464 13.572 ( -4.502 3.657 -1.504) 5.992 13.990 ( 1.305 -0.783 -0.785) 1.713 15.362 ( 3.045 0.152 2.046) 3.672 15.522 ( 0.513 -3.531 -0.989) 3.703 15.564 ( -2.723 0.779 -1.699) 3.303 15.920 ( 1.089 -4.753 2.981) 5.715 16.067 ( 0.006 8.087 -0.166) 8.088 16.136 ( 2.208 -1.471 -4.129) 4.908 16.252 ( -0.766 -3.622 -0.327) 3.716 16.525 ( -0.926 -0.013 0.684) 1.151 17.631 ( -0.245 1.977 -1.024) 2.240 17.970 ( 3.468 1.850 2.314) 4.561 18.217 ( -0.888 -0.963 1.357) 1.886 18.530 ( -1.896 0.752 1.516) 2.541 19.040 ( 7.727 1.937 2.609) 8.382 19.322 ( -1.048 0.599 6.849) 6.954 19.558 ( -14.669 -0.048 -10.784) 18.206 21.341 ( -0.651 -1.251 -2.199) 2.612 27.750 ( 0.315 0.508 -0.765) 0.970 28.593 ( -1.448 0.365 -2.826) 3.197 29.643 ( 0.651 0.837 0.962) 1.432 29.853 ( 5.075 0.433 1.593) 5.337 30.040 ( -3.039 -3.958 0.648) 5.032 30.152 ( -0.801 2.273 0.552) 2.472 30.256 ( -1.399 -4.946 -0.400) 5.156 30.291 ( -0.330 -9.257 -2.080) 9.494 30.750 ( -0.384 -1.758 -1.242) 2.187 30.996 ( 0.281 -2.960 -0.226) 2.981 31.702 ( -0.386 -0.347 -0.480) 0.707 32.013 ( -0.112 -7.546 0.278) 7.552 33.033 ( 4.244 8.328 1.196) 9.423 34.123 ( -4.319 11.206 2.947) 12.366 34.690 ( -3.103 15.649 -6.584) 17.259 36.833 ( 14.215 2.285 13.063) 19.440 ======================= Grid point 17 (13/160) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 0.000 23.308 0.000) 23.308 0.917 ( 0.000 27.761 0.000) 27.761 2.675 ( 0.000 65.921 0.000) 65.921 2.822 ( 0.000 27.790 0.000) 27.790 2.873 ( 0.000 35.925 0.000) 35.925 3.055 ( 0.000 6.587 0.000) 6.587 3.091 ( 0.000 15.389 0.000) 15.389 3.261 ( 0.000 10.947 0.000) 10.947 3.768 ( 0.000 20.687 0.000) 20.687 3.885 ( 0.000 2.283 0.000) 2.283 4.030 ( 0.000 6.378 0.000) 6.378 4.051 ( 0.000 32.294 0.000) 32.294 4.368 ( 0.000 18.666 0.000) 18.666 4.707 ( 0.000 4.159 0.000) 4.159 4.769 ( 0.000 0.086 0.000) 0.086 4.861 ( 0.000 11.724 0.000) 11.724 5.142 ( 0.000 9.972 0.000) 9.972 5.331 ( -0.000 -12.885 -0.000) 12.885 5.820 ( -0.000 -4.544 -0.000) 4.544 6.033 ( -0.000 -16.038 -0.000) 16.038 6.162 ( -0.000 -0.144 -0.000) 0.144 6.587 ( -0.000 -5.451 -0.000) 5.451 6.751 ( -0.000 -18.021 -0.000) 18.021 6.941 ( 0.000 1.613 0.000) 1.613 6.961 ( -0.000 -5.011 -0.000) 5.011 7.127 ( -0.000 -2.533 -0.000) 2.533 7.491 ( -0.000 -0.414 -0.000) 0.414 7.559 ( -0.000 -6.349 -0.000) 6.349 7.744 ( 0.000 4.336 0.000) 4.336 8.327 ( 0.000 2.834 0.000) 2.834 8.647 ( 0.000 0.247 0.000) 0.247 8.747 ( 0.000 8.703 0.000) 8.703 8.767 ( 0.000 12.492 0.000) 12.492 9.139 ( 0.000 4.916 0.000) 4.916 9.848 ( 0.000 11.376 0.000) 11.376 9.984 ( 0.000 13.692 0.000) 13.692 10.306 ( 0.000 11.592 0.000) 11.592 10.697 ( 0.000 6.156 0.000) 6.156 11.256 ( -0.000 -5.907 -0.000) 5.907 11.514 ( -0.000 -7.847 -0.000) 7.847 11.567 ( -0.000 -2.374 -0.000) 2.374 12.211 ( 0.000 0.462 0.000) 0.462 12.526 ( -0.000 -24.143 -0.000) 24.143 12.904 ( 0.000 0.633 0.000) 0.633 13.480 ( 0.000 3.378 0.000) 3.378 13.994 ( 0.000 0.595 0.000) 0.595 15.390 ( -0.000 -0.208 -0.000) 0.208 15.512 ( 0.000 1.354 0.000) 1.354 15.582 ( -0.000 -3.126 -0.000) 3.126 15.936 ( 0.000 6.098 0.000) 6.098 16.039 ( -0.000 -6.022 -0.000) 6.022 16.114 ( 0.000 0.819 0.000) 0.819 16.336 ( -0.000 -4.456 -0.000) 4.456 16.519 ( 0.000 0.650 0.000) 0.650 17.591 ( 0.000 1.703 0.000) 1.703 17.962 ( 0.000 2.300 0.000) 2.300 18.238 ( -0.000 -1.140 -0.000) 1.140 18.512 ( 0.000 0.866 0.000) 0.866 19.066 ( 0.000 1.451 0.000) 1.451 19.281 ( 0.000 3.859 0.000) 3.859 19.443 ( -0.000 -0.393 -0.000) 0.393 21.358 ( -0.000 -1.756 -0.000) 1.756 27.732 ( 0.000 0.646 0.000) 0.646 28.574 ( -0.000 -0.090 -0.000) 0.090 29.636 ( 0.000 0.642 0.000) 0.642 29.866 ( 0.000 0.451 0.000) 0.451 30.097 ( -0.000 -3.373 -0.000) 3.373 30.129 ( 0.000 0.340 0.000) 0.340 30.334 ( -0.000 -4.927 -0.000) 4.927 30.449 ( -0.000 -9.946 -0.000) 9.946 30.788 ( -0.000 -2.559 -0.000) 2.559 31.048 ( -0.000 -3.829 -0.000) 3.829 31.672 ( 0.000 4.113 0.000) 4.113 32.184 ( -0.000 -12.328 -0.000) 12.328 32.882 ( 0.000 11.507 0.000) 11.507 33.920 ( 0.000 11.017 0.000) 11.017 34.320 ( 0.000 22.063 0.000) 22.063 36.943 ( 0.000 1.439 0.000) 1.439 ======================= Grid point 20 (14/160) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 18.417 -0.000 13.291) 22.711 1.229 ( 27.863 -0.000 17.036) 32.659 1.608 ( -3.947 0.000 8.180) 9.083 2.118 ( 5.984 -0.000 3.824) 7.102 2.482 ( 31.029 -0.000 37.089) 48.357 2.540 ( -1.202 0.000 -0.375) 1.259 2.752 ( 0.037 -0.000 -10.667) 10.667 3.035 ( -5.078 0.000 -8.588) 9.977 3.164 ( -6.250 0.000 -6.475) 8.999 3.335 ( 8.995 -0.000 -4.889) 10.238 3.658 ( -9.644 0.000 -2.196) 9.891 3.674 ( -12.650 0.000 6.530) 14.236 3.997 ( -1.732 0.000 -11.886) 12.011 4.395 ( 0.195 -0.000 -3.506) 3.511 4.512 ( -6.238 0.000 1.988) 6.547 4.936 ( 6.792 -0.000 -2.691) 7.306 5.605 ( -2.671 0.000 -9.919) 10.272 5.740 ( 2.919 -0.000 -4.829) 5.643 5.948 ( -2.870 0.000 6.236) 6.864 6.189 ( -11.072 0.000 -4.864) 12.093 6.207 ( -6.813 0.000 -3.376) 7.604 6.559 ( -8.161 0.000 11.872) 14.406 6.679 ( 6.850 -0.000 3.410) 7.652 6.784 ( -5.265 0.000 -7.987) 9.566 7.158 ( -1.672 0.000 2.563) 3.060 7.443 ( 2.682 -0.000 3.523) 4.428 7.616 ( 8.462 -0.000 -7.667) 11.418 7.804 ( 4.843 -0.000 -1.243) 5.000 7.943 ( 8.879 -0.000 -3.365) 9.495 8.531 ( 3.773 -0.000 4.553) 5.914 8.599 ( 7.725 -0.000 1.603) 7.889 8.602 ( -6.143 0.000 2.548) 6.651 8.951 ( -2.299 0.000 6.991) 7.359 9.145 ( -0.689 0.000 -9.428) 9.453 9.262 ( -5.338 0.000 -3.835) 6.573 9.622 ( -1.045 0.000 -4.640) 4.756 9.840 ( -1.804 0.000 0.194) 1.815 10.036 ( 3.136 -0.000 -0.947) 3.276 10.799 ( 3.202 -0.000 1.600) 3.580 10.967 ( -4.833 0.000 -3.621) 6.040 11.675 ( -1.765 0.000 1.660) 2.423 11.880 ( 3.298 -0.000 3.611) 4.890 12.523 ( -10.667 0.000 9.953) 14.590 12.965 ( -3.064 0.000 9.684) 10.157 13.798 ( 6.646 -0.000 -0.755) 6.689 13.961 ( -1.507 0.000 0.134) 1.513 15.266 ( 0.698 -0.000 2.300) 2.404 15.562 ( -4.348 0.000 0.155) 4.350 15.838 ( 1.029 -0.000 0.991) 1.428 15.898 ( -2.764 0.000 -3.148) 4.189 16.059 ( -5.226 0.000 13.761) 14.720 16.210 ( -3.268 0.000 0.037) 3.269 16.468 ( 1.701 -0.000 -5.017) 5.297 16.514 ( 4.889 -0.000 1.288) 5.055 17.749 ( 5.414 -0.000 -2.473) 5.952 18.023 ( 5.726 -0.000 0.617) 5.759 18.193 ( -2.110 0.000 -3.361) 3.968 18.508 ( 2.593 -0.000 -4.443) 5.145 18.998 ( 1.290 -0.000 -5.144) 5.304 19.418 ( -3.166 0.000 8.522) 9.091 20.420 ( -2.798 0.000 -22.215) 22.390 21.616 ( -2.177 0.000 7.966) 8.259 28.150 ( -2.827 0.000 -6.421) 7.016 28.855 ( -9.892 0.000 14.762) 17.770 29.667 ( -4.461 0.000 -4.224) 6.143 30.028 ( -1.695 0.000 -4.713) 5.008 30.155 ( -1.001 0.000 -0.206) 1.022 30.172 ( -1.446 0.000 -5.620) 5.803 30.213 ( 0.366 -0.000 0.758) 0.841 30.639 ( 0.314 -0.000 0.939) 0.990 30.746 ( 6.571 -0.000 -0.149) 6.573 31.376 ( -2.979 0.000 -1.527) 3.348 32.212 ( -20.963 0.000 8.091) 22.470 32.544 ( -1.077 0.000 -0.082) 1.080 32.583 ( 20.270 -0.000 -23.483) 31.021 32.641 ( 0.933 -0.000 0.702) 1.168 33.299 ( -6.548 0.000 -4.710) 8.066 34.953 ( 19.861 -0.000 23.461) 30.739 ======================= Grid point 21 (15/160) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 19.510 -6.690 21.719) 29.952 1.893 ( 14.803 -48.862 7.138) 51.551 2.040 ( -1.812 -37.155 5.986) 37.677 2.479 ( 5.458 -24.608 -2.899) 25.372 2.680 ( 3.975 -6.968 -0.990) 8.083 2.758 ( 1.224 -15.730 -5.684) 16.771 2.977 ( 9.499 -11.695 11.002) 18.656 3.054 ( -6.645 -6.150 1.581) 9.191 3.184 ( -1.285 -22.836 1.371) 22.914 3.480 ( 7.515 -8.724 -2.335) 11.749 3.564 ( -3.046 -0.821 -2.490) 4.019 3.761 ( -10.382 -14.914 5.408) 18.960 3.907 ( -5.006 -5.658 -12.745) 14.815 4.446 ( 8.955 -2.717 0.297) 9.363 4.549 ( -8.861 -10.326 -0.480) 13.615 4.961 ( 4.029 1.317 -0.944) 4.342 5.434 ( -6.465 3.250 -11.791) 13.834 5.670 ( 4.844 8.241 -2.797) 9.960 5.907 ( -8.660 1.349 -0.803) 8.801 6.069 ( -5.620 5.200 1.738) 7.851 6.157 ( -1.247 -0.994 -1.745) 2.364 6.506 ( -4.054 8.215 9.256) 13.023 6.651 ( 0.480 3.475 -4.476) 5.687 6.731 ( 0.602 2.755 -0.425) 2.852 7.112 ( -5.064 5.453 2.022) 7.711 7.421 ( 0.712 7.558 2.996) 8.161 7.596 ( 8.696 3.520 -3.930) 10.171 7.746 ( 4.323 3.680 -1.017) 5.768 8.110 ( 6.287 -5.865 0.240) 8.602 8.418 ( -4.037 7.305 -1.399) 8.463 8.552 ( -2.606 -1.319 -1.876) 3.472 8.766 ( 9.175 -5.682 2.104) 10.995 8.942 ( -0.688 7.400 -0.977) 7.496 9.047 ( 2.277 -4.321 6.414) 8.062 9.353 ( -6.536 -14.615 0.005) 16.010 9.891 ( -3.130 -17.585 -7.459) 19.356 10.003 ( -4.582 -26.447 -7.526) 27.876 10.108 ( 2.826 -7.520 -0.154) 8.035 10.761 ( -4.203 -0.071 -6.301) 7.574 11.008 ( 3.732 -2.503 5.391) 7.018 11.633 ( -2.413 3.774 0.669) 4.529 11.891 ( 2.181 4.251 2.660) 5.469 12.506 ( -5.916 0.764 5.775) 8.303 13.014 ( -3.372 -0.394 9.472) 10.062 13.836 ( 5.572 0.866 -0.516) 5.663 13.947 ( -1.321 0.101 -0.640) 1.472 15.303 ( 1.962 -0.131 3.947) 4.410 15.517 ( -4.330 1.103 -0.168) 4.471 15.827 ( -1.082 3.718 -1.446) 4.133 15.841 ( 0.927 1.306 0.814) 1.797 16.128 ( -4.012 -0.859 8.237) 9.202 16.157 ( -4.390 1.921 1.844) 5.135 16.417 ( 1.174 1.641 -3.910) 4.400 16.581 ( 4.366 -1.550 -0.237) 4.639 17.781 ( 5.832 -0.233 -2.103) 6.204 18.024 ( 4.564 5.917 1.265) 7.578 18.149 ( -0.561 0.156 -3.570) 3.617 18.504 ( 2.353 -0.309 -2.626) 3.539 18.982 ( 5.127 0.623 -3.874) 6.456 19.396 ( -4.650 5.724 8.557) 11.296 20.164 ( -3.093 6.976 -16.129) 17.843 21.601 ( -2.730 4.221 5.545) 7.484 28.025 ( -0.688 6.787 -3.086) 7.487 28.826 ( -7.841 3.693 8.636) 12.235 29.604 ( -1.708 0.287 -4.953) 5.247 29.750 ( 0.407 11.442 -1.997) 11.622 30.085 ( -2.140 1.241 -3.401) 4.206 30.179 ( 0.764 3.413 0.107) 3.499 30.427 ( -2.638 -12.876 -1.792) 13.265 30.647 ( 1.590 1.813 3.016) 3.862 30.806 ( 3.715 -1.094 0.576) 3.915 31.259 ( -3.699 8.368 -1.142) 9.220 31.965 ( 1.367 15.126 4.006) 15.707 32.209 ( -7.541 1.197 1.648) 7.811 32.426 ( 2.018 11.634 -4.489) 12.632 33.356 ( 11.216 -30.305 -27.303) 42.304 33.581 ( -19.986 -46.649 4.602) 50.959 35.372 ( 16.561 -11.359 20.347) 28.588 ======================= Grid point 22 (16/160) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 12.674 -5.364 20.791) 24.933 2.361 ( 3.235 2.267 -9.000) 9.828 2.643 ( -4.533 -11.264 -3.571) 12.657 2.860 ( -0.269 -18.325 4.922) 18.976 2.903 ( 8.126 -25.764 3.712) 27.268 3.114 ( 0.473 -27.451 1.665) 27.506 3.281 ( -1.406 -14.401 -1.084) 14.510 3.402 ( -0.600 -34.134 -4.797) 34.475 3.557 ( 2.607 -11.442 -4.008) 12.400 3.611 ( 0.500 -17.627 -2.944) 17.878 3.818 ( 8.396 -15.833 11.443) 21.263 4.037 ( -0.859 -20.595 -4.829) 21.171 4.122 ( -8.582 -33.543 3.041) 34.757 4.624 ( 9.970 -7.355 1.389) 12.467 4.694 ( -9.826 -17.378 -2.480) 20.117 4.924 ( 0.332 4.594 0.245) 4.612 5.282 ( -2.960 0.443 -10.736) 11.145 5.533 ( 4.734 9.121 -1.518) 10.388 5.792 ( -7.390 1.905 -2.181) 7.937 5.962 ( -3.470 5.281 4.828) 7.952 6.157 ( 4.614 3.266 -1.630) 5.883 6.367 ( -2.557 8.838 4.142) 10.090 6.566 ( 3.739 13.317 0.589) 13.845 6.627 ( -3.321 -0.177 -5.733) 6.628 6.972 ( -9.505 3.831 3.155) 10.722 7.313 ( 1.210 8.857 6.548) 11.081 7.575 ( 6.507 3.669 -4.791) 8.875 7.716 ( 2.035 3.138 0.252) 3.748 8.191 ( 2.936 1.362 4.683) 5.692 8.351 ( -0.514 -3.042 -6.626) 7.309 8.532 ( -5.614 -3.635 -5.444) 8.624 8.873 ( 0.601 1.929 2.609) 3.300 8.956 ( 8.812 -4.625 4.734) 11.021 9.200 ( 3.196 -7.812 0.138) 8.442 9.580 ( -8.088 -16.673 2.080) 18.647 10.124 ( -0.828 -14.005 -3.896) 14.561 10.217 ( 0.179 -12.484 -0.364) 12.491 10.411 ( -4.080 -25.105 -10.083) 27.360 10.716 ( -3.244 -4.644 -4.505) 7.238 11.125 ( 4.613 -2.095 4.726) 6.928 11.528 ( -3.029 5.873 -0.196) 6.611 11.809 ( 0.917 8.653 1.512) 8.832 12.486 ( -2.477 1.561 3.306) 4.416 13.052 ( -3.310 0.232 7.378) 8.090 13.853 ( 3.427 0.932 -0.700) 3.620 13.924 ( -0.533 1.071 -0.882) 1.486 15.348 ( 1.401 0.129 3.710) 3.968 15.461 ( -2.577 2.053 0.949) 3.429 15.755 ( 1.554 4.166 0.319) 4.458 15.829 ( 0.978 1.038 0.162) 1.435 16.024 ( -4.470 5.475 -2.367) 7.454 16.206 ( -3.560 -1.308 7.772) 8.648 16.394 ( 0.146 -1.007 -2.139) 2.369 16.616 ( 3.596 1.003 -1.206) 3.923 17.814 ( 5.295 0.687 -1.460) 5.535 17.939 ( 2.575 6.228 0.160) 6.742 18.139 ( 0.042 -1.364 -2.271) 2.649 18.517 ( 1.616 -0.436 -0.231) 1.690 19.009 ( 9.551 0.781 -2.217) 9.836 19.314 ( -2.748 6.532 8.515) 11.078 19.944 ( -5.322 3.571 -11.358) 13.041 21.527 ( -3.173 4.683 2.154) 6.053 27.904 ( 0.914 5.852 0.035) 5.923 28.754 ( -5.054 2.869 2.175) 6.205 29.571 ( 0.667 -0.753 -3.274) 3.425 29.646 ( -0.005 1.659 0.041) 1.660 30.031 ( -2.176 -0.090 -2.942) 3.660 30.117 ( 0.045 4.118 -0.014) 4.119 30.490 ( -0.511 2.709 0.274) 2.771 30.633 ( 2.946 6.229 4.620) 8.296 30.820 ( 0.157 1.544 0.635) 1.677 31.074 ( -2.734 8.279 -1.219) 8.803 31.879 ( 3.167 3.903 2.533) 5.628 32.118 ( -3.427 6.368 -0.901) 7.287 32.353 ( -5.468 -10.909 -1.871) 12.345 33.721 ( 4.690 -24.321 -13.231) 28.082 34.187 ( -14.259 -39.608 -6.188) 42.549 35.854 ( 12.273 -15.810 14.730) 24.851 ======================= Grid point 23 (17/160) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( -5.544 5.386 -8.564) 11.536 2.222 ( 4.643 4.529 9.665) 11.640 2.571 ( 0.631 3.017 0.806) 3.186 3.086 ( -2.840 -6.656 -0.418) 7.248 3.263 ( 2.454 -8.044 -5.979) 10.319 3.487 ( 4.344 -16.094 4.498) 17.266 3.565 ( -0.495 -16.113 8.936) 18.431 3.719 ( 2.926 -13.593 -3.913) 14.444 3.937 ( 3.366 -24.931 -3.446) 25.392 4.014 ( 1.793 -21.693 -0.054) 21.767 4.187 ( -2.035 -17.118 3.821) 17.657 4.307 ( 1.182 -10.205 -0.406) 10.281 4.695 ( 0.658 -29.292 -0.989) 29.316 4.804 ( -1.881 -7.174 1.409) 7.549 4.841 ( -2.082 -4.102 -1.865) 4.964 4.963 ( -3.389 -15.294 -1.177) 15.709 5.185 ( -2.378 0.188 -7.272) 7.653 5.475 ( 7.759 2.753 0.020) 8.233 5.711 ( -2.717 3.473 1.051) 4.532 5.926 ( 1.426 2.035 4.026) 4.731 6.016 ( -0.377 11.595 -0.010) 11.601 6.281 ( -0.785 12.857 -1.262) 12.942 6.337 ( -0.452 0.891 1.449) 1.760 6.628 ( 2.534 -2.815 -3.440) 5.117 6.894 ( -11.971 -2.024 2.401) 12.376 7.245 ( 1.487 7.282 8.607) 11.372 7.505 ( 4.453 5.067 -4.791) 8.274 7.673 ( 0.532 2.690 -1.845) 3.305 8.224 ( 2.743 1.544 3.107) 4.422 8.343 ( 0.188 -1.451 -5.803) 5.984 8.506 ( -6.880 -3.733 -4.791) 9.177 8.905 ( 2.127 -0.963 4.109) 4.726 9.115 ( 6.373 -1.376 5.861) 8.767 9.358 ( 3.125 -9.249 -3.578) 10.398 9.784 ( -7.687 -13.438 0.849) 15.504 10.224 ( -0.610 -1.592 0.064) 1.706 10.451 ( -1.097 -13.747 -3.764) 14.295 10.688 ( -0.961 -19.173 -4.432) 19.702 10.860 ( -0.728 -15.262 -1.481) 15.351 11.196 ( 4.480 1.727 2.023) 5.210 11.399 ( -4.105 5.163 -0.518) 6.617 11.652 ( 0.325 10.408 0.854) 10.448 12.455 ( -0.598 2.899 1.365) 3.260 13.054 ( -2.348 1.761 4.015) 4.973 13.828 ( -0.694 3.094 -1.357) 3.450 13.910 ( 1.733 -0.098 -0.422) 1.786 15.365 ( 0.124 0.942 2.115) 2.318 15.436 ( 0.716 1.263 2.136) 2.583 15.713 ( 1.690 3.732 0.929) 4.201 15.838 ( 1.149 -0.659 0.005) 1.324 15.890 ( -3.168 2.694 -1.951) 4.593 16.229 ( -1.594 0.193 2.131) 2.668 16.415 ( -2.018 -1.948 1.689) 3.274 16.581 ( 2.925 4.525 -2.452) 5.920 17.787 ( 2.633 4.576 -1.052) 5.384 17.922 ( 3.372 -0.854 -0.095) 3.480 18.153 ( -0.838 -1.832 -0.777) 2.159 18.535 ( -0.013 -0.395 1.017) 1.091 19.069 ( 11.892 1.543 -0.674) 12.010 19.282 ( 0.400 3.628 9.537) 10.211 19.769 ( -9.569 1.538 -9.577) 13.625 21.432 ( -3.017 3.920 -0.642) 4.988 27.840 ( 1.611 3.874 1.418) 4.429 28.684 ( -3.169 1.839 -1.280) 3.881 29.590 ( 0.855 -2.098 -0.879) 2.430 29.668 ( 1.411 -2.989 0.904) 3.427 30.013 ( -0.954 -1.324 -3.012) 3.426 30.050 ( -1.565 2.557 0.432) 3.029 30.373 ( -0.710 9.305 1.137) 9.401 30.530 ( 1.674 10.918 2.904) 11.421 30.818 ( 0.148 -0.739 1.731) 1.888 30.931 ( -1.039 5.323 -2.173) 5.843 31.828 ( 1.384 6.271 1.372) 6.567 31.994 ( -0.102 5.033 -0.790) 5.095 32.609 ( -5.109 -22.312 -0.525) 22.896 34.039 ( 1.337 -17.967 -6.540) 19.167 34.597 ( -9.150 -25.575 -6.257) 27.873 36.297 ( 9.024 -15.282 9.841) 20.293 ======================= Grid point 24 (18/160) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -7.324 12.533 -9.227) 17.201 2.089 ( -0.579 15.756 -0.286) 15.770 2.696 ( 5.981 -4.098 14.168) 15.915 3.067 ( -5.150 -2.121 -11.496) 12.774 3.361 ( 1.430 -5.329 1.030) 5.613 3.717 ( 0.274 -2.392 -0.497) 2.459 3.806 ( 4.656 -5.188 5.670) 8.985 4.014 ( 0.744 -18.352 3.348) 18.670 4.212 ( 2.688 -8.647 -1.055) 9.116 4.265 ( -0.801 -5.659 -2.339) 6.175 4.357 ( 1.501 2.703 2.116) 3.747 4.414 ( -1.324 -8.557 0.611) 8.681 4.773 ( -1.414 3.190 -0.086) 3.490 4.836 ( -3.451 0.013 -8.647) 9.310 5.063 ( -1.458 -8.141 0.708) 8.301 5.124 ( 0.719 -3.109 1.883) 3.705 5.295 ( -0.989 -20.096 -1.132) 20.153 5.488 ( 1.504 10.225 -0.023) 10.335 5.543 ( 3.117 8.328 -1.682) 9.050 5.837 ( 0.113 4.089 1.927) 4.522 5.998 ( -5.295 -0.350 -0.094) 5.308 6.159 ( 8.874 0.853 4.833) 10.141 6.343 ( -6.200 -2.500 -2.134) 7.017 6.714 ( 5.334 -3.795 0.088) 6.547 6.886 ( -8.209 -6.764 0.004) 10.637 7.192 ( -0.442 6.061 4.929) 7.824 7.441 ( 5.025 3.677 -1.552) 6.418 7.605 ( -2.033 2.287 -3.095) 4.352 8.177 ( 1.698 7.517 0.331) 7.713 8.349 ( 0.716 -2.171 -2.891) 3.686 8.483 ( -5.103 -2.819 -2.227) 6.241 8.975 ( 1.808 -1.432 3.158) 3.910 9.171 ( 2.988 2.879 2.400) 4.794 9.476 ( 1.179 -2.356 -1.256) 2.919 9.921 ( -3.975 -8.573 -0.468) 9.462 10.222 ( 0.258 -0.614 -0.268) 0.718 10.646 ( -0.852 -13.543 -1.318) 13.634 10.976 ( 0.619 -14.662 -0.193) 14.677 11.036 ( 1.224 0.631 -0.227) 1.396 11.157 ( 0.143 6.300 0.274) 6.308 11.337 ( -1.496 -7.040 -0.310) 7.204 11.535 ( 0.259 3.003 0.810) 3.121 12.390 ( -0.024 4.843 -0.515) 4.871 13.017 ( -0.770 2.982 0.991) 3.235 13.735 ( -1.561 5.205 -0.991) 5.523 13.938 ( 1.168 -1.653 -0.314) 2.049 15.370 ( 1.106 0.509 1.706) 2.096 15.448 ( 0.920 -0.408 0.886) 1.340 15.644 ( -0.967 4.255 -0.835) 4.443 15.818 ( -0.844 -0.124 0.769) 1.149 15.944 ( 1.812 -6.467 -0.297) 6.722 16.216 ( -0.499 0.946 0.195) 1.087 16.401 ( -1.884 5.440 1.201) 5.881 16.513 ( 1.464 1.481 -1.737) 2.712 17.725 ( 1.146 3.601 -0.721) 3.848 17.974 ( 2.583 -1.504 0.518) 3.034 18.173 ( -1.108 -1.783 0.124) 2.103 18.542 ( -0.909 -0.034 0.945) 1.312 19.129 ( 10.722 2.544 0.836) 11.051 19.328 ( 2.140 0.889 9.558) 9.835 19.588 ( -11.910 1.262 -9.722) 15.426 21.350 ( -1.697 2.189 -1.372) 3.091 27.808 ( 1.278 2.708 1.126) 3.199 28.624 ( -1.737 1.428 -1.821) 2.894 29.631 ( 0.656 -2.007 0.039) 2.112 29.772 ( 2.858 -5.644 1.990) 6.632 29.971 ( -2.167 1.782 -1.571) 3.216 30.060 ( -0.865 -4.068 -0.822) 4.239 30.237 ( -0.339 5.972 0.847) 6.041 30.365 ( 0.200 10.103 0.661) 10.127 30.812 ( -0.474 4.038 0.117) 4.067 30.888 ( 0.524 -2.914 -0.254) 2.972 31.741 ( 0.269 4.513 -0.055) 4.521 31.932 ( 0.055 2.090 0.108) 2.094 32.926 ( -1.034 -16.203 0.323) 16.239 34.229 ( -0.819 -7.411 -1.952) 7.707 34.812 ( -4.126 -10.589 -3.980) 12.041 36.648 ( 5.860 -12.106 5.725) 14.618 ======================= Grid point 25 (19/160) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 0.000 17.188 0.000) 17.188 1.763 ( 0.000 21.352 0.000) 21.352 2.897 ( -0.000 -4.797 -0.000) 4.797 2.987 ( -0.000 -1.298 -0.000) 1.298 3.432 ( -0.000 -0.012 -0.000) 0.012 3.652 ( 0.000 8.204 0.000) 8.204 3.870 ( 0.000 1.992 0.000) 1.992 4.101 ( 0.000 11.408 0.000) 11.408 4.130 ( 0.000 17.655 0.000) 17.655 4.265 ( 0.000 8.812 0.000) 8.812 4.416 ( 0.000 3.188 0.000) 3.188 4.523 ( -0.000 -14.138 -0.000) 14.138 4.678 ( 0.000 3.012 0.000) 3.012 4.726 ( 0.000 5.193 0.000) 5.193 5.074 ( 0.000 12.905 0.000) 12.905 5.148 ( -0.000 -2.300 -0.000) 2.300 5.192 ( 0.000 12.513 0.000) 12.513 5.552 ( 0.000 0.243 0.000) 0.243 5.581 ( -0.000 -11.612 -0.000) 11.612 5.761 ( 0.000 6.820 0.000) 6.820 6.046 ( -0.000 -12.401 -0.000) 12.401 6.214 ( 0.000 3.253 0.000) 3.253 6.374 ( -0.000 -7.081 -0.000) 7.081 6.798 ( -0.000 -3.917 -0.000) 3.917 6.990 ( -0.000 -6.865 -0.000) 6.865 7.110 ( 0.000 4.745 0.000) 4.745 7.426 ( 0.000 0.179 0.000) 0.179 7.537 ( 0.000 2.651 0.000) 2.651 8.032 ( 0.000 9.886 0.000) 9.886 8.361 ( -0.000 -0.404 -0.000) 0.404 8.507 ( -0.000 -3.500 -0.000) 3.500 9.001 ( 0.000 1.277 0.000) 1.277 9.107 ( 0.000 7.067 0.000) 7.067 9.410 ( 0.000 8.403 0.000) 8.403 10.009 ( -0.000 -3.232 -0.000) 3.232 10.248 ( -0.000 -0.404 -0.000) 0.404 10.843 ( 0.000 16.794 0.000) 16.794 10.851 ( -0.000 -8.046 -0.000) 8.046 11.020 ( 0.000 3.068 0.000) 3.068 11.223 ( -0.000 -10.583 -0.000) 10.583 11.482 ( -0.000 -3.018 -0.000) 3.018 11.666 ( -0.000 -20.510 -0.000) 20.510 12.297 ( 0.000 5.003 0.000) 5.003 12.966 ( 0.000 2.886 0.000) 2.886 13.632 ( 0.000 5.333 0.000) 5.333 13.971 ( -0.000 -1.697 -0.000) 1.697 15.382 ( -0.000 -0.156 -0.000) 0.156 15.476 ( -0.000 -2.107 -0.000) 2.107 15.574 ( 0.000 2.625 0.000) 2.625 15.853 ( -0.000 -3.671 -0.000) 3.671 16.069 ( -0.000 -6.320 -0.000) 6.320 16.204 ( -0.000 -0.115 -0.000) 0.115 16.244 ( 0.000 10.593 0.000) 10.593 16.517 ( -0.000 -0.753 -0.000) 0.753 17.672 ( 0.000 2.956 0.000) 2.956 18.005 ( -0.000 -0.235 -0.000) 0.235 18.197 ( -0.000 -1.445 -0.000) 1.445 18.538 ( 0.000 0.431 0.000) 0.431 19.143 ( 0.000 2.706 0.000) 2.706 19.401 ( 0.000 2.532 0.000) 2.532 19.424 ( -0.000 -0.228 -0.000) 0.228 21.319 ( 0.000 0.117 0.000) 0.117 27.778 ( 0.000 2.076 0.000) 2.076 28.588 ( 0.000 1.009 0.000) 1.009 29.656 ( -0.000 -0.334 -0.000) 0.334 29.912 ( 0.000 2.052 0.000) 2.052 29.919 ( -0.000 -7.303 -0.000) 7.303 30.145 ( -0.000 -6.774 -0.000) 6.774 30.196 ( -0.000 -0.867 -0.000) 0.867 30.224 ( 0.000 6.444 0.000) 6.444 30.749 ( 0.000 2.312 0.000) 2.312 30.948 ( -0.000 -3.203 -0.000) 3.203 31.696 ( 0.000 0.776 0.000) 0.776 31.931 ( -0.000 -2.222 -0.000) 2.222 33.097 ( -0.000 -3.533 -0.000) 3.533 34.247 ( 0.000 3.697 0.000) 3.697 34.832 ( 0.000 4.252 0.000) 4.252 36.866 ( -0.000 -7.370 -0.000) 7.370 ======================= Grid point 30 (20/160) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 13.827 -0.000 7.609) 15.782 1.638 ( -3.649 0.000 6.678) 7.610 1.931 ( 23.401 -0.000 19.875) 30.702 2.223 ( 2.262 -0.000 1.121) 2.524 2.583 ( 2.489 -0.000 4.588) 5.219 2.633 ( 3.503 -0.000 -15.929) 16.310 2.828 ( -4.426 0.000 -7.472) 8.685 2.842 ( -13.830 0.000 2.380) 14.033 3.260 ( 6.058 -0.000 8.583) 10.505 3.419 ( 3.563 -0.000 -2.191) 4.182 3.571 ( 0.368 -0.000 -2.503) 2.530 3.611 ( -2.008 0.000 5.335) 5.700 3.758 ( 0.516 -0.000 -2.681) 2.730 4.368 ( -11.231 0.000 -1.454) 11.325 4.526 ( 11.916 -0.000 2.147) 12.108 5.003 ( 3.628 -0.000 0.018) 3.628 5.303 ( -6.552 0.000 -12.525) 14.135 5.780 ( 6.355 -0.000 -1.869) 6.624 5.780 ( -12.632 0.000 -5.572) 13.806 6.051 ( -8.551 0.000 -2.529) 8.918 6.172 ( 1.519 -0.000 7.301) 7.457 6.558 ( -9.568 0.000 -5.103) 10.844 6.635 ( -0.223 0.000 5.168) 5.173 6.823 ( 4.703 -0.000 2.847) 5.498 7.180 ( -0.438 0.000 2.447) 2.485 7.470 ( -1.358 0.000 -0.242) 1.379 7.675 ( 7.424 -0.000 -2.157) 7.731 7.851 ( 2.772 -0.000 -1.378) 3.095 8.027 ( 6.973 -0.000 -3.060) 7.615 8.397 ( -10.193 0.000 -4.924) 11.321 8.639 ( -1.255 0.000 4.161) 4.346 8.743 ( 7.648 -0.000 0.367) 7.657 9.000 ( -1.620 0.000 -6.025) 6.239 9.111 ( 3.868 -0.000 8.007) 8.893 9.143 ( -4.904 0.000 -0.837) 4.975 9.526 ( -1.314 0.000 -5.237) 5.399 9.787 ( -2.493 0.000 -1.139) 2.741 10.098 ( 3.640 -0.000 0.392) 3.661 10.661 ( -6.036 0.000 -6.692) 9.012 11.086 ( 6.776 -0.000 7.272) 9.940 11.639 ( -3.808 0.000 -0.771) 3.886 11.963 ( 1.868 -0.000 2.104) 2.814 12.512 ( -2.798 0.000 3.761) 4.688 13.046 ( -4.481 0.000 8.846) 9.916 13.880 ( 3.603 -0.000 -0.218) 3.610 13.938 ( 0.639 -0.000 -1.094) 1.267 15.351 ( 1.802 -0.000 4.239) 4.606 15.502 ( -1.813 0.000 0.527) 1.888 15.817 ( -1.841 0.000 -1.902) 2.647 15.888 ( 1.873 -0.000 1.737) 2.554 16.136 ( -3.584 0.000 -2.011) 4.110 16.158 ( -4.964 0.000 10.655) 11.754 16.387 ( -0.274 0.000 -7.496) 7.501 16.606 ( 3.514 -0.000 1.513) 3.826 17.813 ( 5.917 -0.000 -1.688) 6.153 18.105 ( 2.974 -0.000 -0.455) 3.008 18.122 ( -1.368 0.000 -3.314) 3.585 18.514 ( 2.996 -0.000 -0.230) 3.005 19.025 ( 10.902 -0.000 -2.896) 11.280 19.465 ( -7.143 0.000 9.524) 11.905 20.053 ( -7.214 0.000 -16.091) 17.634 21.639 ( -4.300 0.000 2.483) 4.965 28.044 ( -1.095 0.000 -3.676) 3.836 28.837 ( -9.830 0.000 5.117) 11.082 29.565 ( -0.352 0.000 -3.915) 3.931 29.903 ( -3.476 0.000 -5.703) 6.679 30.053 ( -2.707 0.000 -4.841) 5.546 30.136 ( -0.823 0.000 -0.198) 0.846 30.230 ( 0.277 -0.000 0.698) 0.751 30.694 ( 2.059 -0.000 3.476) 4.040 30.850 ( 5.231 -0.000 1.336) 5.399 31.277 ( -5.168 0.000 -2.918) 5.935 32.057 ( -9.909 0.000 4.769) 10.996 32.527 ( -0.809 0.000 -0.094) 0.815 32.582 ( 13.074 -0.000 -13.729) 18.958 32.665 ( 0.744 -0.000 0.701) 1.022 33.132 ( -7.092 0.000 -2.665) 7.576 35.563 ( 15.363 -0.000 18.851) 24.319 ======================= Grid point 31 (21/160) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( -3.759 -35.233 2.535) 35.524 2.136 ( 13.291 -28.215 14.215) 34.275 2.256 ( 5.155 -11.648 3.372) 13.177 2.482 ( 5.106 -18.161 -2.748) 19.064 2.657 ( -1.810 -26.258 -2.369) 26.427 2.790 ( 3.844 -8.655 5.849) 11.131 2.847 ( 1.059 -8.006 0.110) 8.076 2.994 ( -3.281 -25.608 -3.279) 26.025 3.251 ( -5.355 -5.178 -2.674) 7.914 3.443 ( -3.383 -0.193 -15.334) 15.704 3.595 ( -2.960 -18.155 -0.893) 18.416 3.763 ( 4.201 -11.098 1.824) 12.006 3.910 ( 9.583 -2.800 15.797) 18.688 4.350 ( -10.821 -10.385 -2.251) 15.166 4.631 ( 5.460 -1.712 0.339) 5.733 4.980 ( -2.492 2.696 -2.491) 4.437 5.232 ( 7.279 0.385 -4.432) 8.531 5.634 ( -6.542 2.166 -3.861) 7.899 5.776 ( 3.129 3.888 -1.909) 5.344 5.955 ( -9.823 0.424 -0.154) 9.834 6.230 ( 3.223 0.988 3.726) 5.025 6.439 ( -8.508 0.264 -4.009) 9.409 6.632 ( 2.581 4.437 2.149) 5.565 6.798 ( 1.739 8.346 2.303) 8.831 7.066 ( -3.305 11.840 1.034) 12.336 7.448 ( -1.755 2.034 2.240) 3.498 7.686 ( 8.349 4.931 -3.005) 10.152 7.781 ( 0.691 3.936 -0.233) 4.003 8.174 ( 3.239 -8.454 -1.749) 9.221 8.286 ( -5.702 -0.100 -3.397) 6.638 8.493 ( -2.098 8.992 -0.146) 9.235 8.905 ( 2.521 -1.613 -0.535) 3.040 8.937 ( 4.951 -4.871 0.064) 6.946 9.161 ( 1.220 -2.480 2.294) 3.592 9.277 ( -4.840 -12.069 3.394) 13.439 9.722 ( -2.480 -22.984 -6.162) 23.925 9.897 ( -1.894 -15.674 -2.066) 15.923 10.165 ( 2.587 -4.671 0.267) 5.346 10.596 ( -4.240 -2.520 -4.349) 6.576 11.196 ( 6.667 -0.198 6.328) 9.194 11.566 ( -4.601 3.081 -1.967) 5.876 11.946 ( 1.099 4.987 1.295) 5.268 12.514 ( -0.666 0.827 2.317) 2.549 13.069 ( -4.403 -0.358 6.286) 7.683 13.890 ( 1.612 0.968 -0.235) 1.895 13.937 ( 1.713 0.762 -0.783) 2.031 15.383 ( 0.037 0.216 2.768) 2.777 15.495 ( 0.757 1.439 1.880) 2.486 15.786 ( -0.726 0.626 -1.142) 1.491 15.893 ( 2.034 2.874 1.998) 4.048 16.056 ( -3.556 3.867 -2.566) 5.847 16.203 ( -5.138 -1.394 7.839) 9.476 16.341 ( 0.495 -1.437 -6.454) 6.630 16.645 ( 2.435 -0.268 0.771) 2.568 17.850 ( 5.171 -0.041 -0.868) 5.243 18.041 ( -2.177 4.684 -2.284) 5.648 18.117 ( 1.848 -0.053 -1.555) 2.416 18.536 ( 1.797 0.341 0.945) 2.059 19.114 ( 15.616 1.006 -1.072) 15.685 19.435 ( -6.649 3.914 9.215) 12.019 19.859 ( -7.817 2.883 -12.064) 14.662 21.580 ( -3.909 3.509 0.256) 5.259 27.985 ( -0.073 3.487 -1.285) 3.716 28.763 ( -6.663 2.242 0.592) 7.055 29.547 ( 0.692 -0.399 -2.042) 2.193 29.714 ( -0.929 7.465 -1.595) 7.689 29.995 ( -2.130 0.456 -3.281) 3.938 30.194 ( 0.656 3.859 0.179) 3.919 30.351 ( -2.972 -15.397 -1.149) 15.723 30.739 ( 2.549 0.387 3.838) 4.624 30.881 ( 3.736 2.740 1.292) 4.810 31.157 ( -4.923 5.770 -2.732) 8.062 31.961 ( -3.720 4.920 1.230) 6.289 32.216 ( -0.344 13.863 5.235) 14.823 32.392 ( 2.506 12.022 -5.620) 13.505 33.181 ( 4.330 -31.497 -13.054) 34.369 33.424 ( -8.064 -34.959 2.767) 35.984 35.856 ( 10.761 -7.623 13.052) 18.554 ======================= Grid point 32 (22/160) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -4.485 5.711 -5.981) 9.408 2.363 ( 0.978 -4.621 9.825) 10.901 2.610 ( 7.357 -5.221 1.266) 9.110 2.973 ( -2.574 -7.449 8.542) 11.623 3.043 ( 6.840 -17.111 -1.361) 18.478 3.157 ( -3.516 -16.598 -2.677) 17.176 3.242 ( 3.560 -41.102 6.070) 41.700 3.340 ( -4.097 -18.047 -12.807) 22.506 3.370 ( 1.957 -35.141 -5.406) 35.608 3.640 ( 0.843 -26.525 1.595) 26.586 3.931 ( -5.902 -19.255 1.814) 20.221 4.047 ( 4.168 -17.577 -1.188) 18.103 4.217 ( 5.368 -20.228 7.800) 22.335 4.526 ( -4.703 -19.512 -1.708) 20.143 4.662 ( -3.605 -3.329 -3.145) 5.829 4.897 ( -1.640 2.283 -0.941) 2.965 5.240 ( 5.883 6.275 -0.922) 8.651 5.575 ( 3.021 0.376 -1.244) 3.289 5.733 ( 3.095 2.191 0.777) 3.870 5.878 ( -9.743 -1.332 0.104) 9.834 6.223 ( 2.886 6.236 -0.045) 6.872 6.359 ( -3.607 2.246 1.291) 4.441 6.522 ( -0.157 11.383 -2.502) 11.655 6.675 ( 8.006 7.568 0.170) 11.018 6.834 ( -10.663 7.247 1.483) 12.977 7.403 ( -1.439 4.719 4.382) 6.599 7.629 ( 8.460 5.909 -3.728) 10.972 7.710 ( -2.966 4.168 -0.191) 5.119 8.268 ( 0.675 -1.233 2.870) 3.196 8.292 ( 1.337 -3.315 -2.634) 4.440 8.373 ( -4.345 0.215 -3.636) 5.670 8.914 ( 0.699 -1.264 1.024) 1.771 9.142 ( 4.937 -7.669 3.984) 9.953 9.226 ( 2.212 -3.617 -2.656) 5.003 9.483 ( -5.899 -15.283 1.201) 16.426 10.055 ( -0.967 -18.832 -2.178) 18.982 10.179 ( -0.851 -17.389 -1.640) 17.487 10.324 ( 0.283 -14.634 -1.262) 14.691 10.631 ( -1.382 -7.955 -1.523) 8.216 11.280 ( 5.406 0.778 4.196) 6.888 11.442 ( -4.639 4.933 -2.449) 7.201 11.835 ( 0.367 9.395 0.546) 9.418 12.502 ( 0.078 1.839 1.039) 2.114 13.076 ( -2.484 0.198 2.912) 3.832 13.870 ( 0.523 2.332 -0.360) 2.417 13.926 ( 0.976 1.045 -0.422) 1.491 15.390 ( -0.195 0.460 1.398) 1.485 15.487 ( 0.954 2.074 1.632) 2.806 15.776 ( 0.760 0.190 -0.035) 0.784 15.858 ( 1.399 3.805 1.111) 4.203 15.927 ( -3.055 5.281 -2.079) 6.446 16.222 ( -2.366 -0.581 1.918) 3.100 16.360 ( -0.002 -3.316 -1.273) 3.552 16.651 ( 1.326 2.088 0.024) 2.473 17.873 ( 3.288 2.802 -0.190) 4.324 17.935 ( -1.033 2.062 -1.410) 2.703 18.123 ( 0.443 -0.643 -0.653) 1.018 18.544 ( 0.322 0.377 0.810) 0.950 19.206 ( 13.265 2.487 0.042) 13.496 19.400 ( -2.240 2.517 8.450) 9.097 19.661 ( -8.848 3.405 -8.995) 13.069 21.480 ( -2.298 4.697 -0.619) 5.265 27.923 ( 0.630 3.717 0.381) 3.789 28.686 ( -2.742 2.063 -0.846) 3.535 29.560 ( 0.604 -1.463 -0.441) 1.643 29.647 ( 0.166 0.051 -0.096) 0.198 29.965 ( -1.080 -0.800 -1.659) 2.135 30.118 ( -0.078 5.017 0.174) 5.021 30.472 ( -0.980 -0.095 -0.040) 0.985 30.741 ( 2.270 7.630 2.980) 8.500 30.835 ( 0.358 2.532 0.421) 2.591 31.004 ( -2.140 6.181 -1.752) 6.771 31.954 ( 2.896 -0.459 0.823) 3.045 32.041 ( -4.240 6.551 0.110) 7.804 32.291 ( -0.637 -4.730 -0.791) 4.838 33.620 ( 1.455 -26.566 -6.006) 27.275 33.994 ( -4.568 -34.763 -0.619) 35.068 36.168 ( 5.291 -12.932 6.118) 15.253 ======================= Grid point 33 (23/160) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 0.000 9.640 0.000) 9.640 2.327 ( 0.000 10.955 0.000) 10.955 2.714 ( -0.000 -4.313 -0.000) 4.313 2.978 ( 0.000 0.798 0.000) 0.798 3.248 ( -0.000 -8.063 -0.000) 8.063 3.528 ( -0.000 -24.463 -0.000) 24.463 3.565 ( -0.000 -15.459 -0.000) 15.459 3.833 ( -0.000 -16.187 -0.000) 16.187 3.972 ( -0.000 -28.446 -0.000) 28.446 4.009 ( -0.000 -16.601 -0.000) 16.601 4.154 ( -0.000 -14.881 -0.000) 14.881 4.326 ( -0.000 -10.811 -0.000) 10.811 4.700 ( -0.000 -7.211 -0.000) 7.211 4.755 ( -0.000 -29.944 -0.000) 29.944 4.811 ( -0.000 -4.626 -0.000) 4.626 4.914 ( -0.000 -14.336 -0.000) 14.336 5.134 ( 0.000 4.902 0.000) 4.902 5.582 ( 0.000 2.411 0.000) 2.411 5.711 ( 0.000 3.620 0.000) 3.620 5.920 ( -0.000 -7.051 -0.000) 7.051 6.016 ( 0.000 16.940 0.000) 16.940 6.265 ( 0.000 7.604 0.000) 7.604 6.347 ( 0.000 5.729 0.000) 5.729 6.708 ( -0.000 -4.566 -0.000) 4.566 6.719 ( -0.000 -0.621 -0.000) 0.621 7.319 ( 0.000 6.526 0.000) 6.526 7.567 ( 0.000 6.801 0.000) 6.801 7.611 ( 0.000 2.453 0.000) 2.453 8.284 ( 0.000 3.399 0.000) 3.399 8.314 ( -0.000 -1.126 -0.000) 1.126 8.381 ( -0.000 -5.036 -0.000) 5.036 8.958 ( -0.000 -2.413 -0.000) 2.413 9.222 ( 0.000 0.714 0.000) 0.714 9.359 ( -0.000 -10.082 -0.000) 10.082 9.710 ( -0.000 -13.509 -0.000) 13.509 10.219 ( -0.000 -2.251 -0.000) 2.251 10.410 ( -0.000 -12.823 -0.000) 12.823 10.648 ( -0.000 -21.651 -0.000) 21.651 10.848 ( -0.000 -16.962 -0.000) 16.962 11.292 ( 0.000 7.368 0.000) 7.368 11.317 ( 0.000 1.410 0.000) 1.410 11.662 ( 0.000 10.369 0.000) 10.369 12.463 ( 0.000 3.450 0.000) 3.450 13.060 ( 0.000 1.804 0.000) 1.804 13.811 ( 0.000 4.485 0.000) 4.485 13.922 ( -0.000 -0.417 -0.000) 0.417 15.387 ( 0.000 0.439 0.000) 0.439 15.465 ( 0.000 1.413 0.000) 1.413 15.732 ( 0.000 5.983 0.000) 5.983 15.838 ( 0.000 2.678 0.000) 2.678 15.857 ( -0.000 -3.664 -0.000) 3.664 16.222 ( 0.000 0.158 0.000) 0.158 16.409 ( -0.000 -2.384 -0.000) 2.384 16.591 ( 0.000 5.400 0.000) 5.400 17.798 ( 0.000 4.877 0.000) 4.877 17.951 ( -0.000 -2.192 -0.000) 2.192 18.140 ( -0.000 -1.487 -0.000) 1.487 18.543 ( 0.000 0.142 0.000) 0.142 19.221 ( 0.000 2.263 0.000) 2.263 19.440 ( -0.000 -0.057 -0.000) 0.057 19.488 ( 0.000 4.307 0.000) 4.307 21.391 ( 0.000 4.036 0.000) 4.036 27.869 ( 0.000 3.271 0.000) 3.271 28.638 ( 0.000 1.855 0.000) 1.855 29.594 ( -0.000 -2.324 -0.000) 2.324 29.692 ( -0.000 -4.668 -0.000) 4.668 29.978 ( -0.000 -1.422 -0.000) 1.422 30.039 ( 0.000 3.543 0.000) 3.543 30.374 ( 0.000 8.877 0.000) 8.877 30.567 ( 0.000 12.492 0.000) 12.492 30.844 ( -0.000 -1.779 -0.000) 1.779 30.894 ( 0.000 5.235 0.000) 5.235 31.852 ( 0.000 8.244 0.000) 8.244 31.985 ( 0.000 3.235 0.000) 3.235 32.563 ( -0.000 -23.434 -0.000) 23.434 33.994 ( -0.000 -18.677 -0.000) 18.677 34.480 ( -0.000 -24.644 -0.000) 24.644 36.453 ( -0.000 -15.070 -0.000) 15.070 ======================= Grid point 40 (24/160) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -2.551 0.000 -0.551) 2.610 1.889 ( 9.316 -0.000 7.419) 11.909 2.205 ( -2.771 0.000 -2.831) 3.961 2.259 ( -3.920 0.000 -5.305) 6.596 2.631 ( 12.609 -0.000 16.854) 21.049 2.664 ( -1.690 0.000 1.467) 2.238 2.729 ( 1.371 -0.000 -0.510) 1.463 2.904 ( 7.037 -0.000 1.504) 7.196 3.139 ( -12.542 0.000 -1.774) 12.667 3.300 ( -3.356 0.000 -18.126) 18.434 3.410 ( -0.943 0.000 0.819) 1.249 3.726 ( 5.978 -0.000 1.017) 6.063 4.069 ( 7.086 -0.000 11.372) 13.399 4.161 ( -8.555 0.000 -1.666) 8.716 4.628 ( -0.752 0.000 -2.612) 2.718 4.943 ( -3.315 0.000 -3.276) 4.661 5.350 ( 15.801 -0.000 3.194) 16.120 5.555 ( -5.660 0.000 -2.695) 6.269 5.801 ( -6.970 0.000 -4.072) 8.072 5.908 ( -0.252 0.000 1.625) 1.644 6.283 ( 1.095 -0.000 3.246) 3.426 6.327 ( -6.219 0.000 -5.313) 8.180 6.698 ( -0.156 0.000 2.633) 2.638 6.904 ( 1.648 -0.000 1.071) 1.966 7.203 ( -0.116 0.000 1.107) 1.113 7.437 ( -0.938 0.000 -0.568) 1.097 7.769 ( 4.294 -0.000 0.458) 4.319 7.847 ( -0.459 0.000 -1.218) 1.302 8.075 ( 2.708 -0.000 -1.312) 3.009 8.200 ( -5.047 0.000 -2.746) 5.745 8.646 ( -1.253 0.000 0.760) 1.465 8.839 ( 3.700 -0.000 -0.471) 3.730 8.928 ( -0.452 0.000 -1.670) 1.730 9.083 ( -2.373 0.000 0.690) 2.471 9.245 ( 1.755 -0.000 2.998) 3.474 9.450 ( -0.710 0.000 -2.228) 2.338 9.744 ( -1.061 0.000 -0.561) 1.200 10.147 ( 1.711 -0.000 -0.017) 1.711 10.515 ( -2.806 0.000 -2.443) 3.721 11.295 ( 6.228 -0.000 5.321) 8.192 11.533 ( -5.006 0.000 -2.902) 5.787 12.004 ( 0.646 -0.000 0.687) 0.943 12.533 ( 0.215 -0.000 1.217) 1.236 13.068 ( -3.138 0.000 3.363) 4.599 13.905 ( 0.746 -0.000 -0.168) 0.764 13.957 ( 1.417 -0.000 -0.125) 1.422 15.397 ( -0.387 0.000 1.340) 1.395 15.532 ( 1.291 -0.000 1.528) 2.000 15.777 ( -0.659 0.000 -0.656) 0.930 15.956 ( 2.686 -0.000 2.406) 3.606 16.045 ( -3.284 0.000 -2.610) 4.194 16.198 ( -4.497 0.000 5.161) 6.845 16.285 ( 1.257 -0.000 -5.300) 5.447 16.662 ( 1.257 -0.000 0.616) 1.400 17.885 ( 4.048 -0.000 0.096) 4.049 18.031 ( -3.347 0.000 -2.491) 4.172 18.129 ( 1.338 -0.000 -0.669) 1.495 18.557 ( 0.843 -0.000 0.634) 1.055 19.262 ( 17.965 -0.000 -0.542) 17.973 19.461 ( -9.888 0.000 7.529) 12.428 19.748 ( -6.543 0.000 -8.278) 10.551 21.581 ( -2.712 0.000 -0.598) 2.777 28.004 ( -0.150 0.000 -0.862) 0.875 28.732 ( -4.506 0.000 -0.741) 4.567 29.539 ( 0.606 -0.000 -0.713) 0.936 29.796 ( -1.825 0.000 -1.957) 2.676 29.964 ( -1.357 0.000 -2.213) 2.596 30.125 ( -0.318 0.000 -0.081) 0.328 30.240 ( 0.105 -0.000 0.282) 0.300 30.772 ( 1.392 -0.000 1.931) 2.380 30.961 ( 4.866 -0.000 2.588) 5.512 31.137 ( -5.509 0.000 -3.392) 6.469 32.006 ( -3.100 0.000 2.045) 3.714 32.517 ( -0.301 0.000 -0.042) 0.303 32.604 ( 5.584 -0.000 -4.808) 7.368 32.682 ( 0.291 -0.000 0.298) 0.416 33.011 ( -3.701 0.000 -0.876) 3.803 35.938 ( 5.901 -0.000 7.259) 9.355 ======================= Grid point 41 (25/160) ======================= q-point: ( 0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -0.000 -39.178 -0.000) 39.178 2.188 ( 0.000 2.607 0.000) 2.607 2.429 ( -0.000 -46.117 -0.000) 46.117 2.488 ( -0.000 -26.734 -0.000) 26.734 2.809 ( -0.000 -9.884 -0.000) 9.884 2.842 ( -0.000 -12.757 -0.000) 12.757 2.892 ( -0.000 -2.618 -0.000) 2.618 2.963 ( -0.000 -19.591 -0.000) 19.591 3.153 ( 0.000 2.610 0.000) 2.610 3.185 ( -0.000 -15.859 -0.000) 15.859 3.558 ( -0.000 -16.290 -0.000) 16.290 3.839 ( -0.000 -9.250 -0.000) 9.250 4.154 ( -0.000 -2.013 -0.000) 2.013 4.221 ( -0.000 -11.673 -0.000) 11.673 4.608 ( -0.000 -0.349 -0.000) 0.349 4.910 ( 0.000 0.953 0.000) 0.953 5.396 ( 0.000 6.093 0.000) 6.093 5.544 ( -0.000 -2.227 -0.000) 2.227 5.748 ( -0.000 -2.149 -0.000) 2.149 5.875 ( 0.000 5.016 0.000) 5.016 6.293 ( 0.000 1.202 0.000) 1.202 6.304 ( -0.000 -2.763 -0.000) 2.763 6.675 ( 0.000 4.331 0.000) 4.331 6.831 ( 0.000 8.364 0.000) 8.364 7.043 ( 0.000 15.853 0.000) 15.853 7.448 ( -0.000 -0.040 -0.000) 0.040 7.756 ( 0.000 6.415 0.000) 6.415 7.764 ( 0.000 3.194 0.000) 3.194 8.183 ( -0.000 -7.943 -0.000) 7.943 8.206 ( -0.000 -4.217 -0.000) 4.217 8.476 ( 0.000 11.682 0.000) 11.682 8.907 ( 0.000 0.137 0.000) 0.137 9.006 ( -0.000 -10.693 -0.000) 10.693 9.160 ( -0.000 -7.588 -0.000) 7.588 9.281 ( -0.000 -3.804 -0.000) 3.804 9.656 ( -0.000 -22.111 -0.000) 22.111 9.866 ( -0.000 -14.509 -0.000) 14.509 10.189 ( -0.000 -4.322 -0.000) 4.322 10.527 ( -0.000 -3.584 -0.000) 3.584 11.344 ( 0.000 0.658 0.000) 0.658 11.468 ( 0.000 2.728 0.000) 2.728 11.964 ( 0.000 5.206 0.000) 5.206 12.531 ( 0.000 0.941 0.000) 0.941 13.072 ( -0.000 -0.464 -0.000) 0.464 13.900 ( 0.000 0.969 0.000) 0.969 13.951 ( 0.000 1.270 0.000) 1.270 15.399 ( 0.000 0.161 0.000) 0.161 15.530 ( 0.000 1.527 0.000) 1.527 15.772 ( -0.000 -0.127 -0.000) 0.127 15.958 ( 0.000 3.828 0.000) 3.828 15.972 ( 0.000 3.635 0.000) 3.635 16.205 ( -0.000 -0.873 -0.000) 0.873 16.299 ( -0.000 -2.875 -0.000) 2.875 16.671 ( -0.000 -0.014 -0.000) 0.014 17.908 ( -0.000 -0.290 -0.000) 0.290 17.973 ( 0.000 3.609 0.000) 3.609 18.125 ( 0.000 0.572 0.000) 0.572 18.558 ( 0.000 0.531 0.000) 0.531 19.334 ( 0.000 3.515 0.000) 3.515 19.425 ( -0.000 -0.398 -0.000) 0.398 19.651 ( 0.000 3.739 0.000) 3.739 21.537 ( 0.000 3.249 0.000) 3.249 27.978 ( 0.000 2.429 0.000) 2.429 28.698 ( 0.000 1.266 0.000) 1.266 29.544 ( -0.000 -0.568 -0.000) 0.568 29.692 ( 0.000 5.631 0.000) 5.631 29.948 ( 0.000 0.032 0.000) 0.032 30.201 ( 0.000 4.232 0.000) 4.232 30.317 ( -0.000 -15.355 -0.000) 15.355 30.796 ( -0.000 -0.733 -0.000) 0.733 30.948 ( 0.000 6.289 0.000) 6.289 31.065 ( 0.000 3.086 0.000) 3.086 31.937 ( 0.000 4.087 0.000) 4.087 32.271 ( 0.000 18.210 0.000) 18.210 32.357 ( 0.000 9.462 0.000) 9.462 33.122 ( -0.000 -29.248 -0.000) 29.248 33.379 ( -0.000 -34.041 -0.000) 34.041 36.046 ( -0.000 -6.710 -0.000) 6.710 ======================= Grid point 83 (26/160) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( -2.577 0.000 25.151) 25.282 0.524 ( -8.572 0.000 27.319) 28.633 1.057 ( 15.220 -0.000 54.343) 56.434 1.690 ( -4.408 0.000 7.476) 8.678 1.847 ( 4.515 -0.000 3.675) 5.822 2.603 ( -0.451 0.000 -1.247) 1.326 2.941 ( -2.913 0.000 -12.875) 13.200 3.104 ( 1.291 -0.000 -3.166) 3.419 3.192 ( 0.241 -0.000 -0.525) 0.578 3.366 ( -1.296 0.000 -13.340) 13.403 3.892 ( -3.675 0.000 11.525) 12.096 4.029 ( -8.460 0.000 8.671) 12.114 4.065 ( -0.358 0.000 -6.399) 6.409 4.495 ( 4.905 -0.000 -0.085) 4.906 4.693 ( 9.352 -0.000 -7.292) 11.859 4.728 ( -7.321 0.000 -5.101) 8.923 5.299 ( 36.562 -0.000 -6.459) 37.128 5.565 ( 3.507 -0.000 -2.072) 4.073 5.926 ( 3.063 -0.000 3.612) 4.736 6.271 ( 15.868 -0.000 -6.509) 17.151 6.435 ( -3.101 0.000 2.986) 4.305 6.601 ( -4.026 0.000 0.126) 4.028 6.728 ( 2.118 -0.000 0.476) 2.171 7.037 ( -9.211 0.000 -2.412) 9.521 7.166 ( 2.044 -0.000 5.235) 5.620 7.170 ( 4.422 -0.000 -2.317) 4.993 7.600 ( -13.743 0.000 2.784) 14.023 7.724 ( -2.848 0.000 -0.017) 2.848 7.779 ( -1.790 0.000 -1.068) 2.084 8.266 ( 4.584 -0.000 3.606) 5.832 8.423 ( 1.129 -0.000 0.996) 1.505 8.764 ( -9.301 0.000 1.736) 9.462 9.005 ( 14.805 -0.000 -0.691) 14.821 9.102 ( -1.551 0.000 2.806) 3.207 9.466 ( -3.957 0.000 -5.972) 7.164 9.651 ( 2.364 -0.000 -0.560) 2.430 9.780 ( 2.163 -0.000 2.977) 3.679 10.068 ( -2.046 0.000 -4.559) 4.997 10.613 ( 3.161 -0.000 3.664) 4.839 11.259 ( -5.386 0.000 -7.860) 9.529 11.661 ( 4.768 -0.000 1.836) 5.110 11.732 ( -1.579 0.000 6.268) 6.464 12.844 ( -0.138 0.000 -1.701) 1.706 13.429 ( -4.230 0.000 1.018) 4.350 13.703 ( -28.266 0.000 -3.843) 28.526 13.991 ( 0.073 -0.000 1.831) 1.833 15.364 ( -5.337 0.000 -0.765) 5.391 15.587 ( 1.195 -0.000 5.219) 5.354 15.808 ( 0.436 -0.000 0.182) 0.472 16.029 ( -2.355 0.000 -4.656) 5.218 16.224 ( 3.387 -0.000 4.140) 5.349 16.312 ( 10.381 -0.000 -8.945) 13.704 16.410 ( -1.580 0.000 -0.290) 1.607 16.540 ( -16.773 0.000 1.547) 16.844 17.581 ( 2.482 -0.000 1.633) 2.971 17.905 ( -0.311 0.000 -0.374) 0.487 18.293 ( 6.830 -0.000 -2.672) 7.334 18.434 ( 1.223 -0.000 -5.779) 5.907 19.048 ( -8.560 0.000 0.683) 8.587 19.284 ( 4.300 -0.000 6.853) 8.090 20.149 ( 28.724 -0.000 -2.529) 28.835 21.469 ( 4.207 -0.000 6.948) 8.122 28.238 ( 14.743 -0.000 -15.755) 21.577 28.903 ( 19.687 -0.000 17.433) 26.296 29.766 ( 33.889 -0.000 -2.960) 34.018 29.904 ( 12.003 -0.000 2.523) 12.265 30.110 ( 0.747 -0.000 -2.249) 2.370 30.184 ( -0.349 0.000 0.056) 0.354 30.192 ( 0.341 -0.000 0.381) 0.511 30.420 ( -2.794 0.000 -0.716) 2.885 30.666 ( -2.223 0.000 0.859) 2.383 31.138 ( 37.477 -0.000 2.298) 37.548 31.429 ( -0.336 0.000 -0.383) 0.510 32.576 ( -0.322 0.000 0.256) 0.411 32.607 ( 0.369 -0.000 0.127) 0.390 33.017 ( -15.251 0.000 -19.909) 25.079 33.981 ( 24.649 -0.000 18.347) 30.728 35.032 (-105.264 0.000 -1.463) 105.274 ======================= Grid point 84 (27/160) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 6.076 -13.127 21.062) 25.551 1.350 ( 12.455 -35.286 23.625) 44.254 1.831 ( 13.170 -40.287 32.879) 53.642 2.112 ( -5.038 -38.267 6.116) 39.079 2.295 ( 6.750 -34.768 3.097) 35.553 2.766 ( -2.918 -6.009 -8.610) 10.897 2.839 ( -0.974 -17.973 -9.098) 20.168 3.200 ( -0.692 -4.046 5.194) 6.621 3.307 ( 1.831 -20.753 -4.372) 21.287 3.394 ( -0.896 -14.566 -11.564) 18.619 3.948 ( -3.713 -2.293 -0.175) 4.367 3.973 ( -11.422 0.687 2.615) 11.737 4.103 ( -3.996 -12.039 0.587) 12.699 4.568 ( -5.409 -2.193 -5.288) 7.876 4.667 ( -0.280 -9.261 -2.511) 9.600 4.734 ( 9.155 -2.014 -6.514) 11.415 5.337 ( 19.630 10.650 -2.755) 22.503 5.506 ( 5.759 8.939 -1.834) 10.790 5.924 ( 1.860 5.826 3.963) 7.287 6.225 ( 0.001 5.739 0.311) 5.748 6.334 ( 1.684 11.085 0.746) 11.237 6.557 ( -5.726 0.302 -0.968) 5.815 6.711 ( -6.829 0.877 -1.972) 7.162 6.921 ( -7.306 1.837 -3.695) 8.390 7.096 ( 7.073 12.044 -3.708) 14.451 7.239 ( 7.703 0.473 1.797) 7.924 7.563 ( -4.093 -0.789 5.787) 7.132 7.639 ( -2.977 4.459 -0.071) 5.362 7.878 ( 3.501 -3.711 3.025) 5.931 8.379 ( 7.379 -2.112 6.263) 9.907 8.500 ( -1.690 -1.707 0.000) 2.402 8.586 ( 1.258 -0.345 1.606) 2.069 8.888 ( 2.923 6.493 4.420) 8.381 9.099 ( -3.654 -2.940 1.871) 5.049 9.540 ( -4.097 -13.599 -2.569) 14.433 9.907 ( 3.526 -8.694 4.680) 10.485 10.064 ( -1.728 -6.679 -5.950) 9.111 10.386 ( 1.038 -44.202 -31.174) 54.099 10.733 ( 1.290 -9.910 -0.410) 10.002 11.144 ( -5.857 0.578 -7.445) 9.490 11.654 ( 0.490 4.127 1.244) 4.338 11.762 ( 2.261 2.719 5.973) 6.941 12.808 ( -4.933 1.100 -1.591) 5.298 13.233 ( -29.131 4.231 11.173) 31.486 13.600 ( 8.696 3.014 0.170) 9.206 14.006 ( -0.964 -0.803 1.202) 1.738 15.326 ( -5.035 -0.620 1.074) 5.185 15.618 ( 0.202 0.886 3.176) 3.304 15.795 ( 0.852 3.156 1.007) 3.421 15.951 ( -3.211 3.145 -4.579) 6.417 16.162 ( 0.755 7.760 5.542) 9.565 16.290 ( -2.842 0.469 6.792) 7.378 16.377 ( -1.098 2.016 -2.234) 3.203 16.449 ( -3.896 -1.791 -1.313) 4.484 17.636 ( 5.562 -0.157 0.199) 5.568 17.876 ( 1.387 2.810 -0.538) 3.180 18.238 ( -1.226 3.955 -3.157) 5.207 18.414 ( 5.864 -0.216 -6.576) 8.813 19.018 ( -2.711 1.239 0.976) 3.136 19.356 ( 3.713 2.567 7.246) 8.537 20.004 ( 19.246 21.436 0.686) 28.816 21.518 ( 2.664 3.510 8.346) 9.438 28.021 ( 4.891 14.091 -4.067) 15.460 28.849 ( 2.772 12.756 18.158) 22.363 29.662 ( 4.276 8.645 -1.162) 9.715 29.822 ( -3.799 0.720 -1.620) 4.192 30.100 ( 3.900 1.634 -2.632) 4.980 30.163 ( -0.272 2.368 0.308) 2.403 30.400 ( 3.659 2.532 -1.173) 4.602 30.593 ( 0.170 2.241 0.798) 2.385 30.759 ( -1.043 -13.466 -0.800) 13.530 31.258 ( 9.321 12.466 1.046) 15.601 31.540 ( 14.543 -7.829 -4.763) 17.190 32.439 ( -3.345 12.654 2.159) 13.266 32.646 ( -8.567 -6.569 -2.585) 11.101 33.206 ( 8.881 -31.067 -28.156) 42.857 34.380 ( 6.788 -10.412 14.170) 18.849 35.116 ( -46.393 -63.867 -20.022) 81.439 ======================= Grid point 85 (28/160) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 11.741 -16.924 16.374) 26.313 2.064 ( 20.948 -13.013 30.924) 39.553 2.373 ( -1.089 0.441 -14.384) 14.432 2.844 ( 3.242 -34.079 5.098) 34.611 2.904 ( -3.722 -38.245 0.447) 38.428 3.093 ( 3.230 -29.247 6.992) 30.244 3.198 ( -1.163 -27.831 0.048) 27.856 3.355 ( -1.466 -13.339 6.429) 14.880 3.583 ( -0.368 -13.868 -10.637) 17.481 3.734 ( -1.591 -24.603 -0.922) 24.672 3.857 ( -13.412 -4.316 -4.611) 14.825 4.095 ( 6.543 -19.983 -4.318) 21.466 4.394 ( -7.796 -23.396 2.608) 24.799 4.496 ( -6.660 -6.531 -7.225) 11.799 4.778 ( 9.062 0.822 -2.700) 9.492 4.936 ( -1.605 -19.325 -2.174) 19.513 5.314 ( 9.359 3.854 -0.735) 10.148 5.361 ( 6.937 11.382 -1.707) 13.438 5.831 ( 3.526 9.814 2.119) 10.641 6.089 ( -2.868 9.915 5.163) 11.540 6.143 ( -4.558 8.939 -3.195) 10.531 6.489 ( -2.438 6.825 0.291) 7.253 6.576 ( -7.864 2.149 -6.215) 10.251 6.797 ( 2.650 8.538 -2.992) 9.427 6.914 ( 0.354 6.756 0.237) 6.770 7.303 ( 7.666 1.774 1.353) 7.985 7.508 ( -7.581 2.407 1.187) 8.042 7.637 ( 1.535 -0.730 3.751) 4.118 7.966 ( 4.523 0.657 7.181) 8.512 8.461 ( -0.668 -2.818 -1.626) 3.321 8.584 ( 9.496 -4.626 -0.477) 10.574 8.674 ( -1.621 -5.747 -3.509) 6.926 8.868 ( -0.511 1.253 5.428) 5.594 9.177 ( -2.053 -7.690 1.580) 8.114 9.774 ( -4.609 -16.582 1.512) 17.277 10.110 ( 2.506 -7.530 1.683) 8.113 10.216 ( -0.558 -16.992 -2.437) 17.175 10.671 ( 2.241 -11.928 -12.382) 17.338 10.892 ( -3.831 -14.900 -15.676) 21.964 11.075 ( -2.643 -1.726 -3.219) 4.509 11.572 ( -0.700 5.943 1.420) 6.151 11.742 ( 1.854 5.885 3.087) 6.899 12.696 ( -9.898 4.300 1.454) 10.889 13.094 ( -8.731 3.911 9.890) 13.760 13.648 ( 8.133 0.146 0.392) 8.144 14.008 ( -2.124 -0.024 0.078) 2.125 15.319 ( -3.355 -0.787 2.988) 4.561 15.614 ( -1.987 0.252 0.861) 2.181 15.705 ( 0.355 9.301 1.349) 9.405 15.833 ( -1.876 2.737 -3.681) 4.955 16.145 ( 3.433 2.498 4.559) 6.229 16.239 ( -7.557 4.105 0.498) 8.615 16.378 ( 0.448 -1.347 6.558) 6.709 16.462 ( 3.643 -0.992 -3.700) 5.286 17.677 ( 3.277 -0.206 0.612) 3.340 17.837 ( 0.904 1.803 -1.035) 2.267 18.165 ( 0.033 0.803 -3.236) 3.334 18.425 ( 5.780 -0.895 -6.199) 8.523 18.978 ( -4.209 0.602 1.228) 4.426 19.335 ( -2.392 6.028 5.919) 8.780 19.892 ( 13.438 7.209 -2.622) 15.473 21.525 ( 0.674 3.914 6.956) 8.010 27.853 ( 2.208 7.437 -1.275) 7.862 28.812 ( 0.162 6.073 10.026) 11.723 29.591 ( -0.079 0.994 -1.988) 2.224 29.755 ( -6.234 0.505 -1.768) 6.500 30.072 ( 3.516 2.827 -2.539) 5.177 30.121 ( -0.872 1.502 -0.757) 1.894 30.374 ( 6.320 4.694 -0.434) 7.885 30.525 ( 0.517 6.562 3.458) 7.435 30.850 ( -2.069 0.621 2.839) 3.567 31.117 ( 1.052 9.145 0.914) 9.250 31.693 ( 6.943 -2.589 -1.842) 7.636 32.214 ( -4.895 10.939 3.753) 12.558 32.708 ( -10.988 -13.470 -3.497) 17.732 33.617 ( 10.168 -26.633 -16.100) 32.740 34.717 ( -1.368 -18.197 6.003) 19.211 35.618 ( -15.191 -39.284 -17.441) 45.587 ======================= Grid point 86 (29/160) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 12.922 -12.841 11.104) 21.335 2.224 ( -0.998 2.421 -9.790) 10.134 2.591 ( 15.595 -6.504 22.271) 27.955 3.100 ( -3.681 -7.334 2.296) 8.522 3.268 ( -6.556 -9.922 -8.602) 14.677 3.405 ( -4.677 -5.365 -1.786) 7.338 3.541 ( -1.452 -16.998 4.476) 17.637 3.723 ( 1.578 -9.885 -5.056) 11.215 3.906 ( 3.151 -30.898 3.378) 31.242 3.978 ( -3.203 -22.116 -3.656) 22.643 4.102 ( 0.239 -18.193 2.185) 18.325 4.448 ( -7.525 -9.566 -5.575) 13.387 4.573 ( 10.037 -17.459 -0.949) 20.161 4.732 ( 5.233 -1.112 -0.988) 5.440 4.887 ( -5.309 -20.846 0.719) 21.523 5.142 ( -3.426 -5.948 -2.547) 7.321 5.314 ( 4.913 -6.642 -3.931) 9.149 5.374 ( 1.185 -5.280 1.290) 5.563 5.709 ( 5.606 9.586 0.507) 11.117 5.914 ( -2.231 11.133 -1.549) 11.459 5.948 ( -4.635 9.111 5.454) 11.587 6.284 ( 2.145 12.252 -2.605) 12.708 6.446 ( -7.539 -0.190 -3.316) 8.238 6.729 ( 5.039 3.310 0.899) 6.096 6.847 ( -0.670 2.805 0.223) 2.893 7.288 ( -0.187 5.133 1.886) 5.471 7.450 ( 1.107 0.760 -1.536) 2.040 7.680 ( -3.568 -1.717 3.499) 5.284 8.049 ( 3.693 -0.250 6.555) 7.528 8.462 ( -1.201 -2.702 -8.929) 9.406 8.693 ( 0.577 -2.222 -3.441) 4.136 8.730 ( 7.912 -1.509 1.894) 8.274 8.907 ( -3.283 -2.866 5.554) 7.060 9.331 ( 0.003 -9.898 0.027) 9.898 9.983 ( -3.488 -9.755 1.563) 10.477 10.238 ( -0.913 -4.194 1.828) 4.665 10.506 ( 0.457 -17.006 -2.952) 17.266 10.764 ( -0.286 -8.344 -3.703) 9.133 10.975 ( -2.103 -10.666 -11.863) 16.091 11.077 ( 1.791 0.572 -0.404) 1.923 11.487 ( -1.627 3.454 0.824) 3.906 11.633 ( 0.521 9.444 0.454) 9.469 12.557 ( -7.015 5.424 3.338) 9.475 13.058 ( -1.379 3.323 5.859) 6.876 13.725 ( 6.347 -1.825 0.140) 6.605 13.969 ( -3.284 1.613 -0.928) 3.774 15.335 ( -1.412 -0.249 3.655) 3.926 15.516 ( -4.069 7.195 -0.995) 8.326 15.633 ( 1.277 0.458 1.372) 1.929 15.788 ( 1.322 0.483 -1.470) 2.035 16.084 ( -7.363 5.139 -0.914) 9.026 16.171 ( 3.875 1.725 1.481) 4.493 16.452 ( 4.995 3.079 1.949) 6.183 16.481 ( -2.061 -4.290 1.356) 4.949 17.700 ( 1.426 0.705 0.906) 1.831 17.830 ( 0.750 -1.431 -1.382) 2.126 18.162 ( 1.675 -1.525 -2.076) 3.073 18.449 ( 5.626 -1.404 -5.048) 7.688 18.956 ( -4.219 -0.978 0.994) 4.444 19.237 ( -3.260 6.579 6.126) 9.562 19.898 ( 7.634 0.430 -4.334) 8.789 21.497 ( -0.895 3.820 3.836) 5.486 27.771 ( 1.634 3.741 -0.356) 4.097 28.776 ( -1.410 3.604 3.520) 5.231 29.591 ( -0.576 -2.230 -0.624) 2.386 29.694 ( -4.653 0.098 -0.579) 4.690 30.032 ( 2.810 2.556 -2.436) 4.513 30.098 ( -0.520 -0.781 -1.759) 1.994 30.327 ( 3.663 6.095 0.346) 7.120 30.429 ( 1.335 8.763 3.824) 9.653 30.817 ( -1.220 1.751 2.191) 3.058 30.984 ( -0.751 6.452 -1.054) 6.580 31.719 ( 4.782 2.798 -2.015) 5.895 32.066 ( -5.839 5.629 5.991) 10.084 32.857 ( -7.678 -14.155 -1.835) 16.207 34.006 ( 5.100 -21.028 -7.279) 22.829 35.018 ( -3.773 -16.677 -2.021) 17.217 35.962 ( -1.277 -20.227 -5.905) 21.110 ======================= Grid point 87 (30/160) ======================= q-point: ( 0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 7.268 5.760 -10.228) 13.806 2.281 ( -1.569 -8.315 12.049) 14.723 2.681 ( -10.276 4.980 -6.643) 13.211 3.224 ( 3.554 -4.205 11.031) 12.329 3.351 ( 2.446 -1.088 4.422) 5.169 3.361 ( -2.019 -2.560 -2.007) 3.828 3.782 ( 1.019 -0.443 -4.363) 4.502 3.909 ( 4.145 -19.589 -0.955) 20.045 4.201 ( -1.200 -6.950 -1.813) 7.282 4.273 ( -0.630 -8.258 -0.094) 8.282 4.350 ( 2.639 -5.539 1.013) 6.219 4.406 ( -2.991 3.934 1.126) 5.068 4.736 ( 4.657 -6.272 -3.221) 8.450 4.919 ( 3.222 -2.177 1.176) 4.063 5.046 ( 1.271 -8.854 -2.857) 9.390 5.253 ( -9.432 -6.209 3.250) 11.751 5.423 ( -2.311 -4.927 -6.145) 8.209 5.476 ( -0.467 -7.128 -4.080) 8.227 5.560 ( 0.403 10.776 -1.746) 10.924 5.770 ( 2.318 3.776 1.034) 4.550 5.832 ( 0.985 5.223 8.214) 9.783 6.164 ( 1.341 1.997 -0.968) 2.593 6.456 ( -2.560 -4.442 3.706) 6.327 6.712 ( -1.455 0.194 -4.041) 4.300 6.817 ( 7.694 4.495 2.859) 9.358 7.200 ( -2.107 4.278 1.461) 4.988 7.445 ( 2.744 -0.230 -5.004) 5.712 7.680 ( -6.901 -0.444 3.640) 7.815 8.096 ( 0.831 2.128 3.200) 3.932 8.421 ( -0.312 -2.107 -9.885) 10.112 8.693 ( -1.598 -1.647 -4.058) 4.662 8.808 ( 5.821 0.380 2.579) 6.379 8.982 ( 0.292 -1.205 6.673) 6.787 9.475 ( -0.781 -6.067 -0.371) 6.128 10.074 ( -0.252 -2.786 -0.227) 2.806 10.234 ( -2.776 2.279 -0.032) 3.592 10.709 ( -0.818 -10.620 -2.646) 10.975 10.927 ( 0.745 -6.546 1.168) 6.691 11.024 ( 0.235 -4.169 -3.735) 5.603 11.112 ( 2.107 -2.443 0.506) 3.266 11.425 ( -2.405 2.409 -1.110) 3.581 11.496 ( 1.572 4.684 0.358) 4.954 12.447 ( -3.954 5.018 2.172) 6.748 13.023 ( 0.109 3.718 1.888) 4.171 13.805 ( 3.777 -2.226 -0.728) 4.445 13.893 ( -3.293 2.397 -1.431) 4.317 15.347 ( -0.962 1.095 2.146) 2.594 15.399 ( 0.021 2.749 0.080) 2.751 15.654 ( 0.189 -0.089 0.983) 1.005 15.813 ( 2.035 -2.136 1.068) 3.137 15.956 ( -4.902 2.121 -0.647) 5.380 16.180 ( 2.755 1.417 0.357) 3.118 16.392 ( 4.803 6.353 -4.681) 9.239 16.556 ( -4.598 -3.889 4.220) 7.353 17.691 ( -0.235 1.033 -0.206) 1.079 17.868 ( 1.131 -2.132 -0.111) 2.415 18.197 ( 1.329 -1.728 -0.373) 2.212 18.493 ( 5.425 -1.917 -3.071) 6.522 18.942 ( -3.212 -0.183 -0.038) 3.217 19.194 ( -0.608 2.757 10.090) 10.477 19.914 ( 0.749 -2.089 -5.511) 5.941 21.441 ( -1.866 3.076 0.242) 3.606 27.740 ( 1.521 1.689 0.406) 2.309 28.720 ( -1.921 2.326 -1.031) 3.188 29.624 ( -1.391 -1.844 -0.081) 2.311 29.686 ( -0.715 -1.393 2.634) 3.065 30.012 ( 2.272 -0.536 -2.782) 3.632 30.111 ( -0.348 -2.444 -1.816) 3.065 30.235 ( 0.199 5.433 0.148) 5.439 30.322 ( 1.647 7.452 1.748) 7.829 30.826 ( -0.064 -0.256 1.592) 1.614 30.884 ( -0.669 2.334 -1.421) 2.813 31.682 ( 3.506 2.479 -3.157) 5.329 32.005 ( -6.036 1.756 6.901) 9.335 32.992 ( -2.334 -6.477 0.012) 6.884 34.271 ( -0.009 -11.000 -1.674) 11.126 35.150 ( -6.841 -7.500 -7.794) 12.798 36.213 ( 9.864 -6.667 3.241) 12.339 ======================= Grid point 88 (31/160) ======================= q-point: (-0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 0.758 12.612 -8.926) 15.470 2.192 ( -22.848 8.772 -15.615) 29.031 2.624 ( 2.903 -3.030 14.827) 15.409 3.255 ( -5.914 1.522 -4.950) 7.861 3.358 ( 2.081 -1.219 5.767) 6.251 3.559 ( 9.932 -0.305 11.118) 14.912 3.658 ( 2.696 10.290 -4.881) 11.703 4.091 ( -1.797 14.831 4.237) 15.529 4.162 ( 4.862 2.239 -2.243) 5.804 4.264 ( -2.200 12.442 -0.268) 12.638 4.330 ( 2.500 5.452 0.678) 6.036 4.419 ( 1.343 -7.994 0.605) 8.129 4.792 ( -2.665 3.817 -3.796) 6.007 4.872 ( 0.961 3.083 -1.130) 3.421 5.101 ( 0.410 11.040 -0.165) 11.049 5.202 ( -4.854 -0.520 -1.988) 5.271 5.272 ( -4.620 7.338 -1.126) 8.744 5.471 ( 1.377 -2.558 -3.722) 4.721 5.607 ( -0.600 -8.028 -4.313) 9.133 5.716 ( 0.876 5.004 2.049) 5.477 5.954 ( 4.912 -5.387 8.898) 11.503 6.202 ( -2.914 -7.314 0.292) 7.879 6.542 ( -2.728 -3.236 2.463) 4.897 6.674 ( 1.839 -0.323 0.704) 1.996 6.844 ( 9.645 3.657 0.848) 10.350 7.156 ( 0.166 0.236 -1.189) 1.223 7.422 ( 0.786 -1.041 -7.048) 7.168 7.649 ( -6.797 0.610 4.022) 7.921 8.033 ( -2.634 5.184 0.425) 5.831 8.394 ( 0.036 -2.215 -8.023) 8.323 8.663 ( -4.033 -1.001 -3.172) 5.227 8.868 ( 6.615 0.499 1.387) 6.778 9.017 ( 0.613 3.721 7.020) 7.969 9.455 ( -2.974 6.842 -0.786) 7.502 10.061 ( 0.139 3.951 -0.484) 3.983 10.210 ( 1.544 -0.963 -1.145) 2.150 10.822 ( 1.489 -1.193 -0.849) 2.089 10.865 ( -1.779 10.822 1.358) 11.051 11.056 ( -1.803 -0.617 -0.495) 1.969 11.206 ( 1.266 -8.796 1.286) 8.980 11.450 ( 1.934 -1.951 0.985) 2.919 11.534 ( 5.413 -7.746 -0.071) 9.450 12.346 ( -2.786 4.543 -0.071) 5.329 12.965 ( 0.405 3.490 -1.060) 3.670 13.768 ( -5.711 2.414 -2.133) 6.557 13.898 ( 3.871 -1.839 -0.994) 4.399 15.320 ( 0.220 1.646 1.372) 2.154 15.422 ( 2.648 -1.970 0.819) 3.400 15.639 ( -1.301 1.046 -0.127) 1.674 15.873 ( -1.666 -1.612 2.782) 3.621 15.970 ( 2.823 -4.744 0.672) 5.561 16.163 ( 1.349 3.843 1.218) 4.251 16.273 ( 2.994 4.988 -6.536) 8.750 16.590 ( -5.411 -2.291 1.877) 6.168 17.664 ( -1.038 0.755 -1.028) 1.644 17.905 ( 1.473 -0.383 1.089) 1.872 18.227 ( 0.082 -0.882 0.994) 1.331 18.542 ( 2.718 -1.299 -1.596) 3.409 18.927 ( 0.223 0.099 1.148) 1.173 19.266 ( 0.726 -0.613 11.888) 11.926 19.890 ( -7.116 -3.384 -7.122) 10.621 21.377 ( -1.773 1.496 -2.067) 3.107 27.738 ( 1.123 0.455 0.658) 1.379 28.656 ( -1.762 1.457 -3.282) 4.000 29.631 ( 0.266 -0.086 -0.028) 0.280 29.737 ( 0.987 -0.486 4.491) 4.624 30.044 ( 0.646 -2.649 -1.982) 3.371 30.150 ( 0.795 -4.025 -1.310) 4.307 30.206 ( -0.482 -1.674 1.210) 2.121 30.234 ( 0.136 2.421 -2.771) 3.682 30.784 ( -1.539 2.018 -0.835) 2.672 30.919 ( 1.252 -3.330 0.654) 3.618 31.664 ( 2.055 -0.659 -3.321) 3.961 32.008 ( -5.707 -2.077 6.524) 8.914 33.019 ( 3.648 4.476 1.094) 5.877 34.343 ( -3.976 0.263 0.966) 4.100 35.042 ( -7.553 5.543 -9.674) 13.467 36.397 ( 19.005 3.618 7.985) 20.930 ======================= Grid point 89 (32/160) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -5.341 17.672 -4.384) 18.975 1.658 ( -25.511 15.517 -15.611) 33.694 2.809 ( 5.882 -0.303 14.321) 15.485 3.139 ( -5.694 1.642 -6.810) 9.028 3.314 ( 0.542 13.681 -0.821) 13.717 3.445 ( 1.228 12.268 2.610) 12.603 3.580 ( 4.842 22.005 3.719) 22.836 3.714 ( -6.615 33.550 3.225) 34.348 3.934 ( -2.354 13.273 2.572) 13.723 4.030 ( 2.702 14.481 -0.091) 14.731 4.098 ( 5.410 16.892 1.763) 17.824 4.506 ( 4.097 9.012 -4.994) 11.088 4.668 ( -3.322 20.776 4.032) 21.423 4.757 ( 2.930 9.062 -6.314) 11.427 4.811 ( -0.340 1.113 1.489) 1.890 5.093 ( -0.459 8.525 -5.786) 10.313 5.239 ( -6.909 -4.738 1.751) 8.558 5.403 ( -2.206 8.195 -1.002) 8.545 5.669 ( 2.317 -4.754 -3.019) 6.089 5.801 ( 0.725 -11.482 0.855) 11.537 6.133 ( -0.004 -5.491 6.524) 8.527 6.375 ( 2.634 -10.954 0.737) 11.290 6.550 ( -5.594 -7.992 -5.705) 11.301 6.813 ( 6.392 -4.211 11.089) 13.475 6.850 ( 7.545 3.467 -1.041) 8.369 7.139 ( -0.620 -1.592 -7.497) 7.689 7.423 ( 2.350 -2.738 -4.212) 5.547 7.611 ( -6.784 0.577 3.979) 7.885 7.920 ( -5.438 3.977 0.897) 6.796 8.364 ( -0.251 -0.237 -6.343) 6.352 8.638 ( -3.383 -2.155 -1.450) 4.265 8.883 ( 4.186 4.728 -1.311) 6.450 8.978 ( -1.940 6.451 8.235) 10.639 9.236 ( -0.577 12.700 -3.013) 13.066 9.968 ( 2.604 8.418 0.825) 8.850 10.187 ( -0.223 5.451 -0.732) 5.504 10.568 ( -1.396 17.215 -0.789) 17.290 10.809 ( -0.061 5.180 0.436) 5.198 11.124 ( 0.331 -6.111 1.290) 6.254 11.349 ( 1.690 -6.838 -2.306) 7.412 11.532 ( 0.677 -5.007 2.176) 5.501 11.775 ( 19.264 -7.849 -3.761) 21.139 12.269 ( -2.964 2.432 6.039) 7.153 12.907 ( 0.882 2.557 -1.776) 3.236 13.668 ( -7.360 0.924 -1.916) 7.661 13.943 ( 3.294 -0.754 -1.359) 3.642 15.326 ( 2.279 0.679 2.738) 3.626 15.492 ( 2.524 -3.003 -0.778) 3.999 15.612 ( -3.355 -0.501 -0.340) 3.409 15.919 ( 0.495 -2.682 2.816) 3.920 16.008 ( 2.639 5.362 -4.285) 7.354 16.139 ( 0.340 -0.397 3.430) 3.470 16.238 ( 2.690 -2.599 -1.580) 4.060 16.577 ( -5.261 -0.655 0.015) 5.302 17.640 ( -1.946 -0.334 -0.903) 2.171 17.919 ( 2.438 1.461 1.056) 3.032 18.245 ( -0.905 -0.587 1.741) 2.048 18.548 ( -0.735 -0.181 -2.202) 2.329 18.969 ( 3.085 -1.337 3.277) 4.695 19.368 ( -0.073 -0.524 11.323) 11.336 19.801 ( -17.115 -4.848 -10.019) 20.416 21.342 ( -0.709 -0.440 -1.821) 2.004 27.746 ( 0.104 -0.215 0.027) 0.240 28.600 ( -1.321 0.679 -3.313) 3.631 29.635 ( 0.985 0.414 0.533) 1.194 29.780 ( 3.350 0.394 2.539) 4.222 30.063 ( 0.240 -1.121 -1.421) 1.826 30.159 ( -0.407 1.231 -1.265) 1.812 30.277 ( -0.615 -8.565 -1.537) 8.723 30.303 ( -1.929 -8.638 0.094) 8.852 30.757 ( -1.021 -1.043 -0.887) 1.708 30.984 ( 0.974 -2.888 -0.224) 3.056 31.678 ( 1.001 -1.427 -2.872) 3.360 32.083 ( -5.093 -6.780 5.877) 10.318 32.927 ( 8.974 12.712 1.081) 15.598 34.226 ( -6.927 8.150 0.436) 10.705 34.721 ( -4.462 17.884 -8.541) 20.315 36.520 ( 27.326 11.222 9.255) 30.956 ======================= Grid point 90 (33/160) ======================= q-point: (-0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -12.599 19.755 -0.305) 23.433 1.078 ( -21.485 20.558 -2.010) 29.804 2.740 ( -3.505 56.246 4.295) 56.518 2.784 ( 0.527 40.639 3.999) 40.838 2.936 ( -5.500 20.303 -7.406) 22.301 3.023 ( 2.953 14.310 4.431) 15.268 3.124 ( -2.857 20.346 1.492) 20.600 3.277 ( -2.443 9.028 -0.031) 9.353 3.735 ( 3.457 19.524 -0.267) 19.830 3.896 ( 1.642 3.801 5.831) 7.151 3.982 ( 3.368 14.933 -1.791) 15.412 4.045 ( 1.593 23.058 -0.925) 23.131 4.366 ( 1.132 19.222 2.684) 19.441 4.611 ( 6.394 4.748 -1.700) 8.144 4.819 ( 0.677 10.040 -2.700) 10.419 4.877 ( -4.418 2.561 -5.550) 7.542 5.204 ( -8.636 4.129 0.313) 9.577 5.371 ( -5.152 -11.480 -3.061) 12.951 5.754 ( 4.843 -4.565 -4.119) 7.827 6.040 ( 2.089 -11.535 2.257) 11.938 6.221 ( -6.530 -4.824 3.067) 8.678 6.528 ( 7.085 -4.348 0.891) 8.360 6.729 ( 2.176 -11.935 -3.036) 12.506 6.843 ( 6.320 0.562 -2.063) 6.672 7.019 ( -1.627 -7.808 9.037) 12.053 7.117 ( 0.286 -3.664 -8.721) 9.464 7.475 ( 1.146 -3.879 -1.604) 4.351 7.595 ( -4.761 -1.958 3.752) 6.370 7.849 ( -8.984 -1.125 3.989) 9.894 8.306 ( 1.035 2.877 -3.648) 4.760 8.650 ( -0.494 0.918 -0.892) 1.372 8.757 ( -0.999 8.162 0.045) 8.223 8.819 ( -5.649 11.866 0.779) 13.165 9.100 ( 4.622 4.447 1.311) 6.547 9.832 ( 2.773 11.570 2.697) 12.199 9.994 ( -1.737 13.698 -2.372) 14.010 10.310 ( -0.447 11.534 0.140) 11.543 10.693 ( -0.211 6.521 -2.495) 6.985 11.246 ( 2.067 -5.068 1.663) 5.721 11.449 ( 4.042 -5.159 -5.853) 8.787 11.620 ( -2.778 -4.724 1.499) 5.681 11.830 ( 26.212 10.367 -37.677) 47.054 12.497 ( 12.605 -7.070 41.567) 44.008 12.872 ( 1.879 1.723 -0.656) 2.632 13.606 ( -10.458 -3.876 -0.604) 11.169 13.958 ( 2.792 0.577 -1.137) 3.070 15.368 ( 2.767 -0.222 3.479) 4.451 15.523 ( -0.151 -0.160 -0.090) 0.238 15.606 ( -3.294 -2.549 -0.726) 4.228 15.899 ( 2.601 5.505 -0.801) 6.141 16.017 ( 2.624 -4.780 1.540) 5.666 16.131 ( -1.360 0.856 -0.592) 1.713 16.351 ( 2.666 -4.210 4.314) 6.592 16.533 ( -3.772 0.656 -1.485) 4.107 17.634 ( -4.680 -2.571 -0.196) 5.343 17.914 ( 3.221 2.042 -0.354) 3.830 18.261 ( -1.416 -1.031 1.232) 2.142 18.511 ( -2.061 0.147 -4.534) 4.983 19.059 ( 3.339 -2.657 4.726) 6.367 19.445 ( -1.821 -0.104 11.982) 12.120 19.620 ( -31.386 -7.259 -14.720) 35.418 21.355 ( 0.360 -1.623 0.405) 1.711 27.742 ( -1.103 0.100 -0.104) 1.112 28.570 ( -0.208 -0.071 -1.390) 1.408 29.641 ( -0.232 -0.250 0.281) 0.442 29.814 ( 4.294 0.285 -0.330) 4.316 30.075 ( 1.222 -1.735 -3.450) 4.051 30.142 ( -0.955 -0.677 -0.481) 1.265 30.377 ( -4.214 -6.047 -0.451) 7.384 30.463 ( -1.403 -10.291 1.529) 10.498 30.785 ( 0.409 -2.187 0.286) 2.244 31.031 ( 1.361 -2.384 -1.626) 3.191 31.647 ( 1.001 4.582 -3.480) 5.840 32.240 ( -4.195 -11.448 4.906) 13.143 32.785 ( 11.054 13.341 0.309) 17.328 33.984 ( -8.849 9.884 -7.363) 15.173 34.283 ( 3.727 26.694 -2.724) 27.090 36.597 ( 34.676 15.379 2.351) 38.006 ======================= Grid point 91 (34/160) ======================= q-point: (-0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( -10.776 17.448 14.702) 25.233 0.705 ( -8.375 16.516 28.622) 34.090 1.530 ( -9.394 74.516 11.434) 75.971 2.098 ( 2.750 44.681 5.010) 45.046 2.213 ( -5.039 38.187 0.153) 38.518 2.841 ( -0.594 19.544 -0.142) 19.554 3.002 ( 1.113 1.818 -2.801) 3.520 3.153 ( -0.218 1.909 -2.135) 2.873 3.355 ( 0.851 19.122 -4.981) 19.778 3.574 ( 1.017 12.795 -10.932) 16.860 3.893 ( 0.094 5.240 9.450) 10.806 4.016 ( -2.417 2.298 10.166) 10.699 4.138 ( 0.951 6.984 -2.426) 7.454 4.545 ( 5.198 8.682 -1.764) 10.272 4.674 ( 7.328 2.789 -3.993) 8.799 4.791 ( -6.262 -0.169 -3.693) 7.272 5.079 ( -3.646 1.904 1.297) 4.313 5.501 ( -1.046 -7.923 -2.804) 8.469 5.845 ( 5.296 -3.454 -0.901) 6.387 6.158 ( 3.795 -0.843 -0.533) 3.924 6.334 ( -6.682 -11.463 3.230) 13.656 6.642 ( 2.472 -1.295 -0.082) 2.792 6.750 ( 5.540 5.061 -0.814) 7.548 7.008 ( 6.098 -8.664 -0.991) 10.641 7.114 ( -7.998 -2.743 -0.614) 8.478 7.149 ( 2.248 -4.431 -2.769) 5.688 7.552 ( -6.098 -8.557 -0.436) 10.517 7.677 ( -0.533 -5.953 2.501) 6.479 7.879 ( -12.023 -5.411 6.842) 14.854 8.253 ( 3.086 3.031 -0.013) 4.326 8.504 ( -1.951 4.790 4.397) 6.789 8.549 ( -1.205 12.179 0.388) 12.244 8.784 ( 0.539 -3.542 1.507) 3.887 9.095 ( 0.555 1.333 2.540) 2.922 9.648 ( -2.133 10.722 -2.782) 11.281 9.777 ( 3.243 9.811 3.039) 10.771 10.155 ( -1.392 5.568 -2.073) 6.102 10.577 ( 3.879 6.528 -5.488) 9.369 11.102 ( 24.198 53.720 -63.024) 86.275 11.317 ( -2.360 -2.454 -4.303) 5.487 11.586 ( 6.324 -0.350 -0.469) 6.351 11.690 ( -3.816 -3.430 3.807) 6.389 12.850 ( 0.769 -0.210 -1.307) 1.531 13.189 ( 36.464 -6.504 31.646) 48.718 13.672 ( -21.098 -20.243 6.288) 29.908 13.962 ( 3.526 1.079 0.270) 3.697 15.399 ( -1.240 -0.083 0.400) 1.305 15.544 ( -0.819 -1.017 3.499) 3.735 15.706 ( 6.503 -8.976 10.811) 15.483 15.891 ( 9.497 -0.421 9.584) 13.499 16.077 ( -2.112 -1.646 -4.712) 5.419 16.153 ( 5.034 -1.081 5.663) 7.654 16.445 ( -2.829 -1.107 4.432) 5.373 16.487 ( 2.435 0.527 -0.708) 2.590 17.635 ( -11.775 -4.565 -1.244) 12.690 17.898 ( 0.798 0.495 -1.721) 1.961 18.262 ( -2.656 -0.658 -0.847) 2.864 18.454 ( -0.699 -0.319 -6.212) 6.260 19.176 ( 5.065 -2.301 3.667) 6.663 19.310 ( -43.083 -6.453 -15.630) 46.282 19.599 ( -4.432 -12.282 22.612) 26.111 21.399 ( 0.790 -1.305 3.045) 3.405 27.785 ( 7.423 -4.084 12.232) 14.880 28.584 ( 2.356 -0.490 2.972) 3.824 29.632 ( -2.440 -0.121 -1.162) 2.705 29.839 ( 3.719 -0.373 -1.570) 4.054 30.091 ( 2.030 -1.560 -3.568) 4.391 30.161 ( -0.244 -1.918 0.355) 1.965 30.411 ( -2.841 -2.028 -0.719) 3.564 30.604 ( -1.691 -5.402 -0.187) 5.663 30.799 ( -1.144 4.260 -1.300) 4.598 31.035 ( 12.032 7.900 -3.669) 14.854 31.487 ( 2.473 9.854 -4.000) 10.919 32.453 ( -3.113 -12.559 3.223) 13.334 32.674 ( 6.620 8.499 -0.442) 10.782 33.587 ( -4.564 18.156 -26.377) 32.345 33.948 ( 16.334 22.956 9.313) 29.674 36.385 ( 9.154 31.594 -42.491) 53.736 ======================= Grid point 93 (35/160) ======================= q-point: ( 0.11 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 9.071 -0.000 20.447) 22.369 0.969 ( 13.866 -0.000 26.075) 29.533 1.723 ( -5.225 0.000 9.312) 10.678 2.029 ( 7.213 -0.000 4.621) 8.567 2.182 ( 27.276 -0.000 44.953) 52.581 2.554 ( -1.259 0.000 -2.407) 2.717 2.662 ( 1.368 -0.000 -19.790) 19.838 3.050 ( -1.401 0.000 -8.812) 8.923 3.195 ( 4.192 -0.000 -6.953) 8.119 3.232 ( -2.911 0.000 5.763) 6.456 3.842 ( -13.036 0.000 -6.250) 14.456 3.909 ( -11.345 0.000 8.312) 14.064 3.964 ( -2.169 0.000 -7.838) 8.132 4.440 ( -7.948 0.000 -10.265) 12.982 4.558 ( 1.274 -0.000 -0.051) 1.275 4.776 ( 10.663 -0.000 -3.277) 11.156 5.488 ( 10.390 -0.000 -11.075) 15.186 5.641 ( 7.490 -0.000 -5.501) 9.293 6.022 ( -1.695 0.000 8.178) 8.351 6.262 ( -0.826 0.000 -8.031) 8.073 6.352 ( -10.585 0.000 -3.534) 11.160 6.596 ( 4.316 -0.000 3.374) 5.478 6.696 ( -4.718 0.000 1.661) 5.002 6.878 ( -7.044 0.000 -2.405) 7.443 7.178 ( 0.359 -0.000 -0.773) 0.852 7.310 ( 10.619 -0.000 -1.239) 10.692 7.561 ( -3.672 0.000 4.528) 5.830 7.740 ( 2.998 -0.000 0.647) 3.067 7.798 ( 6.333 -0.000 -2.375) 6.764 8.462 ( 7.069 -0.000 7.444) 10.266 8.497 ( 5.316 -0.000 1.314) 5.476 8.717 ( -5.963 0.000 3.417) 6.873 9.025 ( -2.272 0.000 1.059) 2.506 9.108 ( -0.301 0.000 -3.632) 3.645 9.326 ( -4.405 0.000 -3.590) 5.683 9.614 ( -0.424 0.000 -4.988) 5.006 9.864 ( -0.018 0.000 2.299) 2.299 9.988 ( 1.267 -0.000 -2.795) 3.069 10.744 ( 4.677 -0.000 3.740) 5.988 11.040 ( -6.445 0.000 -6.571) 9.204 11.701 ( -0.403 0.000 1.226) 1.291 11.849 ( 2.609 -0.000 5.072) 5.704 12.750 ( -9.565 0.000 -0.164) 9.566 13.155 ( -16.920 0.000 12.520) 21.049 13.679 ( 7.212 -0.000 -0.734) 7.249 13.992 ( -1.866 0.000 0.376) 1.904 15.301 ( -3.448 0.000 3.415) 4.853 15.630 ( -3.171 0.000 1.032) 3.334 15.826 ( 0.912 -0.000 0.834) 1.236 15.926 ( -2.494 0.000 -3.774) 4.524 16.251 ( -9.151 0.000 10.650) 14.042 16.271 ( -3.582 0.000 1.390) 3.842 16.370 ( 3.595 -0.000 -8.599) 9.320 16.435 ( 4.999 -0.000 0.744) 5.054 17.665 ( 3.971 -0.000 -1.304) 4.180 17.934 ( 4.782 -0.000 -0.492) 4.807 18.229 ( -3.597 0.000 -3.786) 5.222 18.412 ( 5.607 -0.000 -6.398) 8.508 19.012 ( -3.740 0.000 0.030) 3.740 19.470 ( 2.599 -0.000 8.412) 8.805 20.282 ( 8.027 -0.000 -16.901) 18.710 21.647 ( 2.580 -0.000 6.576) 7.064 28.105 ( 2.653 -0.000 -12.478) 12.757 29.105 ( -9.998 0.000 15.559) 18.495 29.745 ( -6.534 0.000 -4.928) 8.184 30.027 ( -0.602 0.000 -4.941) 4.977 30.151 ( 2.171 -0.000 -4.456) 4.957 30.172 ( -1.080 0.000 0.030) 1.080 30.208 ( 0.657 -0.000 0.530) 0.844 30.571 ( 15.758 -0.000 -2.699) 15.987 30.650 ( -1.074 0.000 1.256) 1.652 31.403 ( -1.232 0.000 -1.367) 1.841 31.765 ( 49.198 -0.000 -23.041) 54.326 32.509 ( -15.482 0.000 -10.177) 18.528 32.564 ( -1.238 0.000 0.136) 1.246 32.625 ( 1.196 -0.000 0.390) 1.258 33.937 ( -55.277 0.000 18.797) 58.386 34.699 ( 23.300 -0.000 22.011) 32.052 ======================= Grid point 94 (36/160) ======================= q-point: ( 0.22 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 18.361 -7.029 24.056) 31.068 1.735 ( 8.672 -54.426 12.690) 56.555 2.104 ( -2.181 -30.588 4.266) 30.961 2.371 ( 4.704 -20.187 -4.459) 21.202 2.580 ( 6.144 -11.056 -0.910) 12.681 2.733 ( -0.296 -18.524 -3.656) 18.884 2.795 ( 18.348 -16.622 25.712) 35.694 3.177 ( -5.117 -19.718 -5.655) 21.141 3.256 ( -5.624 -7.751 5.104) 10.852 3.327 ( 7.130 -12.928 -5.055) 15.605 3.687 ( -11.629 0.209 -5.932) 13.056 3.876 ( -2.397 -4.318 -9.898) 11.062 3.998 ( -11.928 -14.177 3.781) 18.909 4.360 ( 0.205 -1.952 -5.097) 5.462 4.643 ( -2.827 -10.723 -2.334) 11.332 4.845 ( 9.220 -0.045 -1.437) 9.331 5.412 ( 3.810 4.522 -11.265) 12.723 5.571 ( 5.351 8.458 -3.781) 10.699 6.027 ( -1.706 4.283 7.865) 9.117 6.140 ( -4.814 5.885 -6.452) 9.972 6.211 ( -7.701 2.638 -2.521) 8.521 6.597 ( -0.218 7.500 1.111) 7.585 6.628 ( -1.351 5.482 6.757) 8.805 6.764 ( -4.831 1.668 -3.143) 6.000 7.147 ( 3.775 6.954 -2.348) 8.253 7.364 ( 5.481 1.076 -0.316) 5.595 7.513 ( -1.435 4.244 0.573) 4.516 7.695 ( 2.146 1.990 3.265) 4.385 7.999 ( 6.933 -8.766 0.188) 11.178 8.470 ( -2.370 10.014 0.288) 10.295 8.567 ( -0.672 -1.168 -0.740) 1.537 8.629 ( 8.647 -3.175 2.741) 9.610 8.955 ( -0.444 5.064 1.451) 5.287 9.069 ( -2.115 -3.509 3.129) 5.155 9.456 ( -5.378 -16.118 1.566) 17.064 9.900 ( -2.551 -18.635 -9.901) 21.255 10.015 ( 0.772 -14.865 -1.785) 14.992 10.073 ( -0.457 -18.645 -5.956) 19.579 10.778 ( -0.253 0.111 -2.517) 2.532 10.999 ( -0.998 -2.674 0.578) 2.913 11.666 ( -1.152 4.071 0.809) 4.308 11.868 ( 2.086 3.805 3.279) 5.438 12.664 ( -9.731 1.120 1.355) 9.888 13.138 ( -7.405 0.878 10.710) 13.050 13.725 ( 7.566 0.999 -0.388) 7.642 13.978 ( -2.573 -0.495 -0.867) 2.760 15.318 ( -1.466 -0.425 5.274) 5.491 15.593 ( -4.685 0.496 -0.430) 4.731 15.824 ( 1.124 2.897 1.168) 3.320 15.847 ( -2.020 3.307 -3.010) 4.907 16.211 ( -4.589 2.359 0.875) 5.234 16.275 ( -3.585 1.695 7.724) 8.683 16.343 ( 2.132 -1.666 -5.702) 6.312 16.496 ( 6.062 -0.578 1.029) 6.176 17.692 ( 3.891 -0.596 -1.324) 4.153 17.942 ( 5.667 4.303 0.701) 7.150 18.156 ( -1.996 1.736 -2.864) 3.899 18.415 ( 5.518 -0.473 -5.703) 7.949 18.967 ( -3.872 0.955 -0.290) 3.999 19.495 ( -1.095 5.887 9.568) 11.287 20.081 ( 4.432 10.189 -12.916) 17.038 21.651 ( -0.218 4.529 5.178) 6.883 27.982 ( 2.912 6.696 -6.616) 9.853 29.013 ( -8.541 9.886 10.827) 16.968 29.619 ( -2.504 3.777 -5.794) 7.356 29.751 ( -1.568 8.025 0.036) 8.177 30.089 ( -0.112 0.985 -3.651) 3.784 30.168 ( 0.570 3.304 0.236) 3.361 30.440 ( 1.124 -6.266 -0.954) 6.437 30.636 ( 1.732 3.062 2.674) 4.419 30.754 ( 1.843 -10.145 -0.079) 10.311 31.297 ( -1.383 9.267 -1.294) 9.458 31.769 ( 19.200 7.507 -6.757) 21.694 32.400 ( -12.600 -1.187 1.312) 12.723 32.413 ( -2.145 7.867 -2.808) 8.624 33.058 ( 11.618 -33.513 -17.659) 39.623 34.047 ( -34.349 -36.515 2.895) 50.216 35.169 ( 18.577 -15.209 17.699) 29.827 ======================= Grid point 95 (37/160) ======================= q-point: ( 0.33 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 17.583 -8.818 20.290) 28.259 2.213 ( 5.643 3.472 -12.261) 13.937 2.627 ( 6.065 -22.380 8.142) 24.576 2.843 ( -1.361 -30.631 0.516) 30.666 2.950 ( -1.743 -11.084 6.547) 12.990 3.099 ( 0.054 -27.653 -3.060) 27.822 3.304 ( -2.707 -19.347 -0.252) 19.537 3.394 ( 2.462 -26.732 3.681) 27.097 3.541 ( 0.729 -11.547 1.948) 11.733 3.593 ( -3.912 -8.413 -6.423) 11.284 3.744 ( 4.050 -26.343 5.072) 27.131 4.030 ( -1.083 -23.391 -8.365) 24.865 4.294 ( -9.315 -27.648 3.078) 29.337 4.458 ( 8.717 -7.908 1.494) 11.864 4.815 ( -6.524 -16.653 -4.633) 18.475 4.876 ( 5.368 3.168 -0.979) 6.310 5.293 ( -2.299 -0.024 -9.904) 10.167 5.430 ( 6.254 9.740 -2.413) 11.824 5.930 ( -9.357 4.142 -4.556) 11.201 5.970 ( 5.122 11.149 5.899) 13.614 6.122 ( -2.345 3.273 0.737) 4.093 6.433 ( -3.947 7.704 2.260) 8.947 6.525 ( 1.995 14.131 2.350) 14.463 6.684 ( -5.753 -1.284 -4.806) 7.605 7.041 ( 5.862 7.897 2.188) 10.076 7.338 ( -4.181 3.456 3.262) 6.329 7.466 ( 3.462 1.893 -3.430) 5.228 7.700 ( 0.866 2.036 2.617) 3.427 8.149 ( 5.009 -0.385 5.801) 7.674 8.336 ( -1.752 -0.565 -7.494) 7.717 8.571 ( -2.605 -3.735 -6.036) 7.561 8.798 ( 9.201 -2.940 2.803) 10.058 8.924 ( -1.192 -0.226 5.526) 5.658 9.173 ( 0.379 -7.302 0.051) 7.312 9.721 ( -7.149 -16.808 3.832) 18.663 10.109 ( 0.246 -13.368 -4.044) 13.969 10.214 ( 0.267 -13.010 0.873) 13.042 10.416 ( -2.718 -24.934 -12.942) 28.224 10.748 ( -2.877 -3.524 -4.009) 6.063 11.080 ( 3.019 -2.415 2.965) 4.872 11.568 ( -1.860 5.999 0.160) 6.283 11.798 ( 1.078 7.988 1.447) 8.189 12.580 ( -6.946 2.217 2.275) 7.638 13.140 ( -3.482 2.185 7.873) 8.881 13.765 ( 6.627 0.535 -0.619) 6.678 13.949 ( -2.924 0.339 -1.625) 3.362 15.357 ( -0.355 -0.065 5.466) 5.478 15.531 ( -5.408 1.764 -0.669) 5.728 15.731 ( 1.483 5.927 0.344) 6.120 15.810 ( 1.290 1.620 -0.156) 2.077 16.100 ( -5.994 4.638 -2.362) 7.938 16.254 ( 2.349 3.082 0.710) 3.940 16.393 ( -2.129 -4.818 1.183) 5.399 16.547 ( 4.383 1.397 1.875) 4.968 17.729 ( 4.154 -0.514 -0.809) 4.263 17.890 ( 3.704 6.177 0.874) 7.255 18.129 ( 0.185 -1.399 -1.801) 2.288 18.440 ( 6.027 -1.095 -3.994) 7.313 18.932 ( -1.030 0.212 -0.369) 1.114 19.412 ( -3.012 8.950 10.638) 14.225 19.917 ( 2.557 3.048 -10.259) 11.004 21.585 ( -2.397 5.061 2.379) 6.084 27.869 ( 2.890 5.623 -1.719) 6.552 28.857 ( -5.948 6.579 2.336) 9.171 29.558 ( -0.378 -0.475 -1.373) 1.501 29.666 ( -2.603 1.259 -0.044) 2.891 30.044 ( -1.045 0.449 -3.404) 3.589 30.114 ( 0.366 3.401 0.020) 3.420 30.465 ( 4.117 4.197 -0.171) 5.882 30.603 ( 2.735 6.218 3.667) 7.719 30.841 ( -2.467 -0.200 1.655) 2.977 31.107 ( -1.802 9.584 -1.305) 9.839 31.791 ( 7.767 1.289 -2.049) 8.135 32.187 ( -5.312 9.649 3.670) 11.610 32.482 ( -10.285 -15.535 -2.015) 18.740 33.556 ( 8.403 -28.964 -12.971) 32.829 34.435 ( -19.254 -33.910 -6.407) 39.518 35.700 ( 13.848 -18.035 11.926) 25.676 ======================= Grid point 96 (38/160) ======================= q-point: ( 0.44 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 12.750 6.977 -10.628) 18.005 2.245 ( 0.266 -5.525 14.390) 15.417 2.626 ( -7.885 3.222 -7.958) 11.657 3.155 ( -2.310 -8.235 7.247) 11.210 3.223 ( -0.789 -9.653 -3.970) 10.467 3.440 ( 4.271 -6.334 7.735) 10.872 3.583 ( 3.012 -20.735 5.903) 21.768 3.663 ( 0.552 -10.769 -4.712) 11.767 3.882 ( 0.429 -27.064 -3.587) 27.304 3.996 ( 1.358 -23.170 1.092) 23.235 4.186 ( 3.630 -17.415 3.010) 18.042 4.302 ( -1.564 -11.946 -2.842) 12.378 4.695 ( -0.299 -17.102 -3.174) 17.396 4.803 ( 3.581 -20.080 5.597) 21.151 4.834 ( 1.980 1.030 -1.492) 2.685 5.012 ( -5.038 -14.112 -2.383) 15.172 5.233 ( -7.262 -5.585 -8.496) 12.494 5.363 ( 5.789 0.916 -1.946) 6.176 5.786 ( -5.296 7.396 1.349) 9.196 5.852 ( 7.559 8.355 -0.180) 11.268 6.037 ( -0.829 7.888 4.913) 9.330 6.278 ( 0.822 13.435 -1.516) 13.545 6.379 ( -3.224 -2.667 4.021) 5.803 6.637 ( -4.590 -1.678 -4.259) 6.482 7.003 ( 4.248 4.411 2.754) 6.715 7.262 ( -3.034 5.030 5.288) 7.904 7.417 ( 1.124 1.708 -7.211) 7.495 7.680 ( -0.942 1.984 1.790) 2.833 8.199 ( 2.625 2.833 5.787) 6.957 8.308 ( 0.167 -2.505 -8.168) 8.545 8.569 ( -3.674 -4.528 -6.789) 8.949 8.869 ( 3.690 0.147 1.623) 4.034 9.044 ( 5.493 -2.259 8.662) 10.503 9.313 ( 0.658 -10.184 -2.963) 10.627 9.922 ( -7.365 -11.270 1.709) 13.572 10.231 ( -0.912 -2.216 -0.538) 2.456 10.453 ( -1.046 -14.551 -2.935) 14.881 10.681 ( -0.646 -18.178 -4.573) 18.756 10.863 ( -0.591 -13.477 -1.935) 13.628 11.133 ( 4.033 1.677 1.176) 4.523 11.455 ( -3.033 4.560 -0.555) 5.504 11.648 ( 0.484 10.413 0.518) 10.437 12.507 ( -4.285 3.476 2.687) 6.137 13.109 ( -2.066 4.010 3.711) 5.841 13.804 ( 3.892 -0.338 -1.381) 4.144 13.897 ( -1.830 1.650 -1.470) 2.869 15.380 ( -0.567 1.093 3.271) 3.495 15.449 ( -1.598 3.090 0.517) 3.517 15.689 ( 1.837 2.472 1.886) 3.611 15.811 ( 1.964 -0.650 0.063) 2.070 15.953 ( -5.359 4.110 -2.141) 7.085 16.228 ( 1.926 1.680 -1.492) 2.959 16.459 ( 0.005 -3.012 -0.449) 3.045 16.533 ( 0.005 4.207 2.787) 5.046 17.737 ( 2.747 2.919 -0.350) 4.023 17.862 ( 3.442 -0.081 -0.132) 3.445 18.162 ( 0.074 -2.597 -0.135) 2.601 18.487 ( 5.378 -1.403 -2.273) 6.005 18.940 ( 2.883 -0.023 0.537) 2.933 19.346 ( -1.447 5.833 12.102) 13.512 19.830 ( -2.595 -0.240 -9.150) 9.514 21.483 ( -3.482 4.550 -0.611) 5.762 27.811 ( 2.597 3.676 0.845) 4.579 28.734 ( -3.947 3.416 -2.133) 5.639 29.582 ( -0.156 -2.255 0.488) 2.313 29.662 ( -0.319 -2.052 1.033) 2.319 30.013 ( -0.524 0.174 -2.132) 2.203 30.067 ( -0.575 1.064 -1.194) 1.700 30.373 ( 1.467 8.690 -0.164) 8.814 30.507 ( 2.348 9.945 2.282) 10.470 30.829 ( -0.750 -0.151 2.115) 2.249 30.942 ( -1.422 6.531 -2.086) 7.002 31.768 ( 4.968 5.379 -2.396) 7.705 32.060 ( -5.844 4.609 6.071) 9.605 32.713 ( -7.553 -19.773 -0.619) 21.175 33.970 ( 3.524 -21.830 -6.630) 23.085 34.745 ( -12.312 -23.091 -7.329) 27.175 36.158 ( 12.586 -14.604 8.132) 20.924 ======================= Grid point 97 (39/160) ======================= q-point: (-0.44 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 3.615 10.839 -10.133) 15.272 2.134 ( -10.891 11.369 -8.003) 17.661 2.697 ( 3.649 -5.117 16.439) 17.599 3.142 ( -8.992 -0.069 -7.778) 11.890 3.333 ( 2.182 -6.549 1.558) 7.076 3.682 ( 4.635 -3.643 4.351) 7.327 3.754 ( 4.348 -0.505 4.121) 6.012 4.002 ( 3.605 -21.363 2.239) 21.780 4.169 ( 0.399 -7.624 -0.202) 7.637 4.263 ( -0.004 -7.062 -0.058) 7.062 4.364 ( -0.879 0.981 0.032) 1.318 4.419 ( 1.470 -4.909 0.862) 5.197 4.777 ( 1.470 0.061 -0.248) 1.492 4.839 ( -2.289 -2.222 -9.547) 10.066 5.113 ( 2.432 -5.337 3.468) 6.814 5.141 ( -6.637 -5.828 1.597) 8.976 5.272 ( -1.326 -11.809 -6.058) 13.339 5.453 ( 3.153 -6.271 -0.784) 7.063 5.531 ( -1.705 18.484 0.602) 18.572 5.825 ( 1.915 2.212 -0.067) 2.926 6.020 ( 6.748 0.051 6.352) 9.267 6.118 ( -4.242 2.700 -0.932) 5.114 6.447 ( -6.842 -3.901 1.435) 8.006 6.643 ( 2.422 -4.766 -1.634) 5.590 6.978 ( 1.177 2.083 -1.097) 2.632 7.207 ( 0.872 5.732 5.023) 7.671 7.344 ( 0.379 -0.294 -7.214) 7.229 7.649 ( -2.897 1.436 1.921) 3.762 8.158 ( 0.981 7.325 2.734) 7.880 8.310 ( 1.434 -2.462 -5.090) 5.834 8.559 ( -5.049 -3.362 -4.403) 7.495 8.918 ( 5.252 -0.764 -0.052) 5.308 9.137 ( 3.382 2.169 5.987) 7.211 9.458 ( 0.378 -5.193 -0.404) 5.222 10.012 ( -6.248 -5.497 -0.649) 8.347 10.205 ( 0.794 0.980 -1.240) 1.769 10.658 ( -1.297 -13.485 -1.348) 13.614 10.962 ( 1.251 -12.577 0.837) 12.667 11.005 ( 1.732 0.380 -0.831) 1.958 11.149 ( 1.236 -0.642 0.255) 1.416 11.364 ( -2.271 -1.517 -1.596) 3.163 11.524 ( 1.152 3.798 0.030) 3.969 12.423 ( -3.119 5.201 2.851) 6.702 13.032 ( -0.771 4.612 -0.175) 4.679 13.768 ( -3.003 3.373 -1.608) 4.793 13.894 ( 3.383 -1.308 -0.971) 3.755 15.364 ( 0.366 1.627 1.821) 2.469 15.432 ( 1.454 0.308 0.960) 1.770 15.657 ( -1.005 2.837 -0.368) 3.032 15.849 ( -1.539 -0.544 1.170) 2.008 15.909 ( 1.359 -4.474 0.136) 4.678 16.206 ( 1.232 1.000 -1.961) 2.523 16.417 ( 3.304 9.063 -0.041) 9.647 16.516 ( -4.683 -2.792 1.247) 5.593 17.697 ( 1.633 3.011 -0.349) 3.443 17.914 ( 3.898 -1.582 0.067) 4.207 18.202 ( -1.227 -2.176 0.993) 2.688 18.526 ( 2.456 -1.036 -2.517) 3.666 18.982 ( 6.684 1.043 2.916) 7.367 19.369 ( -0.315 1.659 12.213) 12.329 19.729 ( -8.903 -0.722 -9.153) 12.789 21.381 ( -2.891 2.916 -1.980) 4.559 27.790 ( 1.914 2.480 1.824) 3.625 28.644 ( -2.267 1.926 -3.265) 4.416 29.620 ( 0.557 -1.699 0.334) 1.819 29.741 ( 1.754 -4.059 2.911) 5.294 29.990 ( -0.777 0.085 -1.631) 1.809 30.070 ( -0.949 -3.576 -1.863) 4.142 30.236 ( 0.510 6.490 -1.021) 6.590 30.360 ( 0.801 9.437 0.501) 9.484 30.824 ( -1.042 4.291 -0.290) 4.425 30.879 ( 0.658 -2.878 0.530) 3.000 31.693 ( 3.401 4.180 -2.946) 6.141 32.007 ( -5.902 1.662 6.583) 8.996 32.959 ( -2.516 -12.800 0.677) 13.062 34.224 ( -0.328 -10.392 -3.364) 10.928 34.895 ( -7.961 -9.340 -4.710) 13.145 36.512 ( 13.022 -9.460 4.478) 16.707 ======================= Grid point 98 (40/160) ======================= q-point: (-0.33 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -4.764 15.172 -5.329) 16.772 1.770 ( -4.661 18.154 -3.012) 18.984 2.901 ( 1.313 -3.135 4.544) 5.675 3.039 ( -5.534 -1.331 2.035) 6.045 3.414 ( 1.070 0.147 -2.786) 2.988 3.645 ( 1.190 7.440 1.383) 7.660 3.838 ( 4.674 3.363 4.781) 7.484 4.124 ( -1.979 12.163 3.967) 12.945 4.171 ( -3.921 12.905 -2.928) 13.801 4.238 ( 2.903 8.684 1.011) 9.212 4.392 ( 3.214 4.866 1.012) 5.919 4.488 ( 4.064 -12.530 2.187) 13.353 4.669 ( -1.837 7.143 -4.942) 8.878 4.783 ( -5.234 -0.225 -3.088) 6.082 5.076 ( -0.804 14.164 -4.296) 14.823 5.155 ( -0.613 2.440 3.888) 4.631 5.236 ( -3.816 6.759 1.437) 7.893 5.445 ( 6.210 -6.547 -3.940) 9.847 5.595 ( 0.989 -5.171 0.925) 5.345 5.761 ( 0.303 5.023 -0.021) 5.032 6.105 ( -4.732 -7.561 0.043) 8.920 6.168 ( 5.343 -4.062 4.696) 8.191 6.421 ( -5.876 -2.535 -3.243) 7.174 6.774 ( 2.402 -6.049 0.723) 6.548 6.964 ( 4.287 -0.758 -2.968) 5.269 7.121 ( -1.559 4.814 -1.268) 5.216 7.364 ( 3.430 -2.508 -0.857) 4.335 7.608 ( -4.945 1.793 3.180) 6.146 8.035 ( -0.268 9.060 2.192) 9.325 8.324 ( 2.429 -0.832 -3.409) 4.268 8.552 ( -4.289 -3.159 -0.686) 5.371 8.950 ( 4.434 1.192 -3.475) 5.758 9.126 ( -0.152 5.229 5.057) 7.276 9.411 ( -0.684 9.206 -0.387) 9.240 10.025 ( -1.937 -1.426 -0.825) 2.543 10.234 ( 1.858 -1.089 0.122) 2.157 10.804 ( 1.654 7.445 -3.536) 8.406 10.883 ( -1.279 0.173 2.950) 3.220 11.031 ( -1.133 3.334 0.287) 3.533 11.218 ( 0.389 -9.386 -0.895) 9.436 11.478 ( 0.581 -3.688 0.418) 3.757 11.596 ( 5.842 -14.571 -6.470) 16.979 12.347 ( -3.182 3.151 7.647) 8.862 12.956 ( 0.738 3.416 -1.120) 3.670 13.662 ( -3.702 4.421 -0.729) 5.813 13.941 ( 3.118 -1.573 -0.952) 3.620 15.370 ( 1.554 0.408 1.601) 2.268 15.464 ( 1.667 -1.998 0.110) 2.604 15.594 ( -2.521 1.820 -0.747) 3.198 15.865 ( -1.426 -2.974 -0.057) 3.299 16.026 ( 3.449 -3.712 -0.906) 5.148 16.188 ( 1.267 0.451 -1.329) 1.891 16.287 ( -0.809 7.487 5.045) 9.064 16.524 ( -2.254 -1.235 -0.856) 2.709 17.661 ( 1.109 2.570 0.264) 2.812 17.961 ( 3.910 -0.119 -0.631) 3.963 18.226 ( -2.208 -1.339 1.265) 2.876 18.520 ( 0.379 0.056 -4.403) 4.420 19.055 ( 8.329 1.443 5.622) 10.152 19.436 ( -0.835 -0.268 9.210) 9.252 19.567 ( -15.080 0.545 -9.000) 17.570 21.324 ( -0.936 0.433 -0.828) 1.323 27.777 ( 0.584 1.864 1.682) 2.578 28.587 ( -0.521 1.074 -1.963) 2.297 29.650 ( 0.924 -0.471 0.532) 1.165 29.832 ( 4.434 -0.678 1.842) 4.849 29.988 ( -3.599 -3.789 -2.482) 5.785 30.145 ( -0.067 -6.594 -0.253) 6.599 30.167 ( 1.378 1.571 -3.583) 4.148 30.243 ( -0.751 3.380 1.740) 3.875 30.756 ( -0.785 2.241 0.174) 2.381 30.944 ( 0.615 -3.107 0.282) 3.180 31.657 ( 2.534 0.392 -2.861) 3.842 32.009 ( -5.895 -2.122 6.553) 9.066 33.084 ( 1.905 -1.201 0.734) 2.369 34.257 ( -2.338 2.150 -3.617) 4.813 34.863 ( -3.614 5.091 -0.202) 6.247 36.748 ( 13.070 -4.226 -1.320) 13.799 ======================= Grid point 99 (41/160) ======================= q-point: (-0.22 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 0.019 19.254 6.743) 20.401 1.411 ( -2.298 21.694 7.093) 22.940 2.840 ( -6.732 -1.337 -13.419) 15.072 3.151 ( 2.430 0.165 13.943) 14.154 3.269 ( 1.160 13.389 -5.670) 14.586 3.489 ( -0.548 17.348 2.607) 17.551 3.616 ( 0.083 31.736 2.378) 31.826 3.713 ( -5.143 36.908 3.747) 37.453 3.916 ( -1.958 3.178 -1.765) 4.129 4.065 ( 0.644 14.432 0.641) 14.460 4.207 ( 0.761 13.076 3.222) 13.489 4.474 ( 3.969 19.485 -6.620) 20.958 4.652 ( 0.249 4.985 -4.686) 6.846 4.714 ( -2.025 2.534 -0.975) 3.387 4.840 ( 4.926 7.644 6.646) 11.264 5.035 ( -2.444 8.702 -1.199) 9.117 5.175 ( -2.455 -1.524 1.264) 3.154 5.373 ( 1.659 15.638 -2.624) 15.943 5.659 ( 3.777 -6.005 -5.515) 8.986 5.831 ( -2.692 -11.830 3.210) 12.550 6.200 ( -1.594 0.860 3.364) 3.820 6.358 ( -2.329 -21.225 -3.460) 21.631 6.472 ( 2.749 -6.400 -0.697) 7.000 6.845 ( -1.115 -2.901 -5.267) 6.115 7.025 ( 5.513 -1.839 -1.767) 6.075 7.050 ( -0.508 0.947 1.262) 1.658 7.439 ( 2.530 -3.468 0.364) 4.308 7.571 ( -4.242 0.969 5.487) 7.003 7.898 ( -2.265 7.610 3.634) 8.732 8.331 ( 3.564 0.668 -1.255) 3.837 8.597 ( -1.374 -4.113 1.494) 4.587 8.875 ( 0.885 6.431 -5.020) 8.206 9.004 ( -4.255 11.046 2.002) 12.005 9.249 ( 2.868 8.459 1.189) 9.011 9.997 ( 0.317 4.764 0.429) 4.794 10.188 ( 0.114 8.648 0.976) 8.703 10.537 ( 0.248 16.173 -1.797) 16.275 10.811 ( -0.235 7.985 0.026) 7.988 11.121 ( -0.815 -8.914 -1.148) 9.025 11.339 ( 2.843 -6.792 -5.056) 8.932 11.540 ( -1.234 -3.710 1.242) 4.102 11.760 ( 8.581 -4.754 -23.332) 25.311 12.511 ( -2.891 -14.893 21.279) 26.133 12.927 ( 2.076 0.871 2.134) 3.102 13.560 ( -2.737 4.109 0.254) 4.943 13.978 ( 2.700 -0.648 -0.452) 2.813 15.387 ( -0.198 -0.531 0.058) 0.569 15.520 ( 1.639 -2.677 1.068) 3.315 15.557 ( -1.854 0.203 1.076) 2.153 15.922 ( -0.691 -5.178 -2.590) 5.830 16.010 ( 3.898 4.771 -2.381) 6.605 16.187 ( 1.650 2.608 4.325) 5.314 16.299 ( -5.165 -5.023 6.163) 9.482 16.513 ( 0.095 0.257 -1.721) 1.743 17.631 ( 0.322 2.228 0.992) 2.460 17.964 ( 2.663 1.664 -2.789) 4.200 18.231 ( -2.728 -0.961 0.107) 2.895 18.474 ( 1.257 0.954 -6.702) 6.885 19.137 ( 4.060 1.178 7.309) 8.444 19.337 ( -14.408 2.563 -10.072) 17.765 19.502 ( -1.006 -0.535 9.078) 9.149 21.339 ( 0.750 -1.563 1.994) 2.643 27.763 ( -0.505 0.915 1.929) 2.194 28.576 ( 1.594 0.229 1.213) 2.016 29.651 ( -0.485 0.865 0.035) 0.993 29.857 ( 4.136 1.453 -1.376) 4.594 30.013 ( -1.479 -3.818 -3.395) 5.319 30.128 ( 0.925 0.407 -2.053) 2.289 30.253 ( -0.545 -4.669 0.104) 4.701 30.307 ( -1.002 -8.715 3.224) 9.346 30.754 ( 0.014 -1.779 1.781) 2.517 30.994 ( 0.508 -2.573 -0.056) 2.624 31.666 ( 2.240 -0.581 -2.501) 3.408 32.083 ( -5.596 -6.806 6.017) 10.670 33.042 ( 3.016 8.349 -0.357) 8.884 34.074 ( -1.439 12.293 -7.492) 14.468 34.683 ( 1.237 16.199 5.284) 17.084 36.815 ( 8.119 1.951 -14.281) 16.544 ======================= Grid point 100 (42/160) ======================= q-point: (-0.11 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 1.977 22.041 10.405) 24.454 1.249 ( 12.428 15.708 32.639) 38.295 2.639 ( -6.483 13.167 -11.272) 18.506 2.746 ( -2.260 55.804 4.787) 56.055 2.918 ( 2.941 39.033 1.575) 39.175 3.045 ( -3.642 26.552 0.365) 26.803 3.213 ( 0.936 6.722 4.067) 7.912 3.235 ( 0.276 18.464 3.569) 18.808 3.752 ( 0.214 18.765 -3.207) 19.039 3.799 ( -4.350 19.005 -7.745) 20.979 4.016 ( 2.519 11.607 0.212) 11.879 4.081 ( -4.607 8.650 0.815) 9.834 4.412 ( -1.707 21.517 3.806) 21.918 4.683 ( 6.045 2.551 -3.711) 7.538 4.718 ( -3.709 3.477 -4.122) 6.545 4.905 ( 6.874 14.197 2.866) 16.032 5.132 ( 2.299 4.357 -0.371) 4.940 5.315 ( 2.475 -11.430 -2.079) 11.878 5.777 ( 4.166 -7.255 -2.506) 8.733 6.073 ( -2.911 -15.384 3.193) 15.980 6.182 ( -1.936 -0.216 2.248) 2.975 6.578 ( -2.036 -4.828 -1.779) 5.533 6.708 ( 3.192 -16.345 -3.915) 17.107 6.813 ( -0.702 -5.260 -7.621) 9.287 7.014 ( -7.686 -0.464 0.529) 7.718 7.131 ( 7.915 -2.304 1.737) 8.425 7.524 ( 3.803 -1.857 2.319) 4.826 7.596 ( -4.044 -2.828 3.901) 6.290 7.834 ( -2.650 1.039 7.480) 8.003 8.343 ( 5.018 2.445 2.099) 5.964 8.611 ( 0.130 5.641 -4.666) 7.322 8.739 ( -2.829 6.856 -0.754) 7.455 8.790 ( 0.885 5.913 3.398) 6.877 9.170 ( 0.131 5.208 2.354) 5.717 9.832 ( -2.840 13.851 -0.788) 14.161 10.021 ( 2.918 11.502 3.076) 12.258 10.274 ( -0.917 12.588 -2.932) 12.958 10.689 ( 2.778 6.437 -1.670) 7.207 11.194 ( -2.887 -3.663 -5.568) 7.263 11.320 ( 4.825 10.005 -32.027) 33.899 11.578 ( -0.508 -2.363 -3.017) 3.866 11.666 ( 2.880 -0.793 -0.613) 3.049 12.804 ( -3.506 -5.636 0.466) 6.654 13.132 ( -11.192 -19.005 17.508) 28.160 13.497 ( 4.318 3.265 1.679) 5.668 14.003 ( 1.914 0.112 0.738) 2.055 15.372 ( -3.997 0.098 -0.464) 4.025 15.570 ( 1.584 -0.286 3.422) 3.782 15.642 ( 2.503 -8.070 4.313) 9.486 15.942 ( -1.406 -2.319 -3.380) 4.334 16.013 ( 3.772 -1.154 2.486) 4.662 16.220 ( 2.550 0.264 7.144) 7.590 16.368 ( -7.486 -4.531 2.464) 9.090 16.496 ( -0.513 0.566 -0.942) 1.213 17.609 ( 1.114 1.710 1.692) 2.651 17.902 ( -1.221 2.376 -4.838) 5.527 18.218 ( -1.879 -1.292 -2.095) 3.097 18.428 ( 4.533 0.943 -7.031) 8.419 19.076 ( -13.356 2.013 -0.002) 13.507 19.255 ( 6.345 0.437 3.178) 7.110 19.620 ( 6.716 -4.741 10.131) 13.046 21.408 ( 1.302 -2.257 5.196) 5.813 27.803 ( 1.761 -4.146 4.354) 6.265 28.630 ( 3.598 -1.406 6.690) 7.725 29.623 ( -1.054 0.515 -1.162) 1.651 29.846 ( 0.462 0.415 -1.940) 2.037 30.049 ( 3.088 -2.930 -3.519) 5.523 30.135 ( -0.156 -1.130 0.012) 1.141 30.323 ( 0.134 -4.596 -0.838) 4.674 30.481 ( -0.684 -8.529 2.948) 9.050 30.821 ( -0.124 -2.094 3.261) 3.877 31.062 ( 2.664 -4.593 1.132) 5.429 31.639 ( 3.714 5.181 -2.752) 6.943 32.235 ( -4.777 -11.481 4.384) 13.185 32.867 ( -1.456 11.372 -1.660) 11.584 33.727 ( 3.302 19.360 -16.210) 25.465 34.465 ( 7.110 18.734 11.220) 22.965 36.451 ( -14.301 22.668 -39.599) 47.816 ======================= Grid point 103 (43/160) ======================= q-point: ( 0.22 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 11.699 -0.000 13.834) 18.117 1.656 ( 22.141 -0.000 25.750) 33.960 1.743 ( -5.591 0.000 3.611) 6.656 2.173 ( 4.531 -0.000 1.706) 4.842 2.456 ( 6.961 -0.000 -18.337) 19.614 2.560 ( 2.351 -0.000 3.763) 4.438 2.855 ( -3.237 0.000 -9.538) 10.072 3.004 ( 2.092 -0.000 8.512) 8.765 3.244 ( -2.121 0.000 15.987) 16.127 3.264 ( 9.869 -0.000 -2.851) 10.273 3.608 ( -3.841 0.000 0.234) 3.848 3.720 ( -2.305 0.000 -14.465) 14.648 3.804 ( -13.758 0.000 6.824) 15.357 4.360 ( 7.937 -0.000 0.521) 7.954 4.498 ( -5.633 0.000 -3.471) 6.616 4.907 ( 7.816 -0.000 -0.538) 7.834 5.344 ( -3.528 0.000 -15.695) 16.087 5.665 ( 5.994 -0.000 -3.110) 6.753 5.984 ( -14.196 0.000 -3.037) 14.517 6.128 ( -3.191 0.000 -4.674) 5.659 6.207 ( -1.799 0.000 6.916) 7.146 6.603 ( -5.231 0.000 -6.471) 8.321 6.747 ( 6.221 -0.000 3.319) 7.050 6.789 ( -7.643 0.000 8.290) 11.276 7.180 ( 0.983 -0.000 -0.501) 1.103 7.431 ( 7.283 -0.000 -2.702) 7.768 7.579 ( 1.551 -0.000 1.114) 1.909 7.805 ( 2.614 -0.000 1.289) 2.915 7.888 ( 8.194 -0.000 -1.920) 8.416 8.532 ( -8.270 0.000 -4.793) 9.559 8.614 ( 7.579 -0.000 -0.238) 7.583 8.669 ( -0.429 0.000 4.788) 4.807 9.001 ( -1.898 0.000 -5.343) 5.670 9.101 ( 1.371 -0.000 7.459) 7.584 9.225 ( -4.832 0.000 0.188) 4.836 9.523 ( -1.119 0.000 -4.873) 4.999 9.827 ( -2.989 0.000 -1.185) 3.215 10.036 ( 4.135 -0.000 0.449) 4.159 10.724 ( -4.910 0.000 -6.088) 7.821 11.020 ( 4.737 -0.000 5.848) 7.526 11.688 ( -2.463 0.000 -0.306) 2.482 11.940 ( 2.058 -0.000 2.250) 3.049 12.613 ( -7.458 0.000 1.887) 7.693 13.166 ( -5.587 0.000 9.352) 10.894 13.793 ( 6.747 -0.000 0.432) 6.761 13.945 ( -2.046 0.000 -1.663) 2.636 15.355 ( 0.217 -0.000 6.466) 6.470 15.556 ( -4.315 0.000 -0.541) 4.349 15.838 ( -1.687 0.000 -1.970) 2.593 15.870 ( 1.163 -0.000 1.269) 1.721 16.196 ( -4.706 0.000 -1.279) 4.876 16.275 ( -1.938 0.000 0.714) 2.066 16.334 ( 0.312 -0.000 -0.793) 0.852 16.542 ( 5.109 -0.000 1.456) 5.312 17.713 ( 5.008 -0.000 -1.278) 5.168 18.028 ( 5.983 -0.000 -0.198) 5.986 18.145 ( -1.941 0.000 -1.204) 2.284 18.421 ( 6.259 -0.000 -4.084) 7.474 18.944 ( -1.940 0.000 -0.851) 2.119 19.606 ( -2.727 0.000 10.192) 10.551 20.061 ( -3.298 0.000 -15.461) 15.809 21.707 ( -2.510 0.000 1.556) 2.953 28.007 ( 2.635 -0.000 -6.968) 7.450 29.066 ( -14.869 0.000 5.305) 15.787 29.574 ( -3.013 0.000 -4.158) 5.135 29.930 ( -2.583 0.000 -4.679) 5.345 30.071 ( -2.067 0.000 -4.812) 5.238 30.153 ( -1.188 0.000 -0.042) 1.189 30.226 ( 0.556 -0.000 0.479) 0.734 30.681 ( 1.329 -0.000 2.812) 3.110 30.747 ( 8.459 -0.000 0.399) 8.469 31.336 ( -3.620 0.000 -2.723) 4.529 32.018 ( 22.159 -0.000 -23.262) 32.127 32.321 ( 0.329 -0.000 4.500) 4.512 32.544 ( -1.249 0.000 0.054) 1.250 32.652 ( 1.219 -0.000 0.373) 1.274 33.471 ( -30.456 0.000 9.188) 31.812 35.364 ( 20.008 -0.000 19.172) 27.711 ======================= Grid point 104 (44/160) ======================= q-point: ( 0.33 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 4.284 -42.044 -0.417) 42.264 2.021 ( 15.417 -6.644 24.838) 29.979 2.152 ( 6.313 -35.059 6.432) 36.199 2.317 ( 6.702 -6.087 -13.138) 15.955 2.609 ( 3.191 -33.549 -3.378) 33.869 2.765 ( 3.237 -13.695 3.307) 14.456 2.932 ( -9.579 -0.245 -4.434) 10.558 3.042 ( -3.643 -27.570 -2.778) 27.948 3.331 ( -3.189 -4.698 4.593) 7.303 3.432 ( 1.231 -5.344 -6.218) 8.291 3.529 ( 0.274 -9.833 -9.125) 13.417 3.814 ( 10.554 -4.116 13.380) 17.531 3.875 ( -11.606 -14.213 5.657) 19.202 4.485 ( 10.640 -2.879 3.228) 11.485 4.493 ( -7.032 -9.310 -3.940) 12.314 4.950 ( 4.870 1.471 -0.716) 5.137 5.189 ( -3.765 0.637 -12.161) 12.746 5.620 ( 5.831 8.044 -2.450) 10.233 5.838 ( -11.985 -0.064 -4.724) 12.883 6.082 ( -4.621 -1.122 -1.890) 5.117 6.199 ( 1.846 6.376 5.933) 8.903 6.527 ( -7.054 -2.172 -6.117) 9.586 6.648 ( -0.041 10.965 4.984) 12.045 6.792 ( 0.681 8.007 4.861) 9.392 7.132 ( -2.801 4.380 -0.316) 5.208 7.448 ( 3.556 1.866 0.082) 4.017 7.533 ( 6.157 7.047 -2.323) 9.642 7.773 ( 1.025 2.982 3.436) 4.664 8.086 ( 5.944 -10.491 -2.188) 12.255 8.370 ( -6.617 5.112 -4.076) 9.302 8.522 ( -0.899 7.003 -0.710) 7.096 8.793 ( 7.570 -6.922 0.278) 10.262 8.925 ( -1.580 0.936 -1.064) 2.122 9.142 ( 2.450 -0.232 3.881) 4.595 9.401 ( -7.160 -16.425 4.352) 18.438 9.724 ( -1.602 -22.946 -7.376) 24.156 9.924 ( -2.565 -15.187 -2.619) 15.623 10.118 ( 3.261 -5.626 0.680) 6.538 10.651 ( -4.779 -1.570 -4.533) 6.772 11.120 ( 5.897 -0.848 5.852) 8.351 11.625 ( -3.529 3.487 -1.509) 5.185 11.928 ( 1.613 4.638 1.044) 5.020 12.572 ( -4.925 0.808 2.384) 5.530 13.177 ( -5.339 0.357 6.067) 8.089 13.835 ( 5.375 1.401 0.600) 5.587 13.922 ( -0.896 0.048 -1.619) 1.851 15.400 ( -0.111 0.240 5.249) 5.256 15.518 ( -2.765 0.999 0.799) 3.046 15.793 ( -0.813 1.881 -1.394) 2.479 15.871 ( 1.763 2.689 1.885) 3.728 16.110 ( -4.365 3.656 -2.740) 6.318 16.273 ( 2.764 -0.823 -9.652) 10.074 16.332 ( -5.598 -1.497 7.830) 9.741 16.597 ( 3.846 -0.444 1.261) 4.071 17.753 ( 5.647 -0.401 -0.706) 5.705 18.036 ( 3.382 5.208 0.028) 6.209 18.102 ( -1.426 0.223 -0.933) 1.718 18.460 ( 7.151 -0.272 -1.616) 7.336 18.942 ( 3.848 0.189 -0.294) 3.864 19.595 ( -5.912 6.034 11.384) 14.176 19.887 ( -2.599 3.194 -12.715) 13.365 21.646 ( -3.873 3.842 -0.708) 5.502 27.954 ( 2.613 3.500 -3.303) 5.476 28.903 ( -10.872 5.544 -1.832) 12.341 29.542 ( -0.701 -0.107 -0.186) 0.733 29.724 ( -1.149 8.170 -1.011) 8.312 30.013 ( -1.897 0.492 -3.638) 4.132 30.181 ( 0.784 3.228 -0.162) 3.325 30.402 ( -3.170 -14.230 -0.811) 14.601 30.717 ( 2.241 0.809 3.871) 4.546 30.815 ( 4.611 -0.741 0.287) 4.679 31.218 ( -4.027 6.838 -2.999) 8.484 31.892 ( 10.523 7.296 -9.920) 16.198 32.286 ( -5.669 4.256 5.619) 9.046 32.378 ( -1.938 11.377 0.662) 11.560 33.031 ( 7.654 -29.784 -7.737) 31.710 33.657 ( -19.370 -33.408 2.051) 38.672 35.708 ( 15.352 -8.057 14.678) 22.716 ======================= Grid point 105 (45/160) ======================= q-point: ( 0.44 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 5.952 5.041 -12.841) 15.024 2.330 ( 4.654 -1.929 9.915) 11.121 2.525 ( 4.405 -9.068 -0.478) 10.093 2.955 ( 2.510 -19.552 0.420) 19.717 3.038 ( 0.294 -16.962 10.619) 20.014 3.177 ( 4.721 -41.587 3.208) 41.977 3.222 ( -4.074 -17.977 -3.313) 18.729 3.340 ( -2.051 -25.326 -0.189) 25.410 3.367 ( -5.260 -14.280 -10.445) 18.457 3.629 ( 1.629 -23.800 2.135) 23.951 3.930 ( 7.098 -26.014 -3.249) 27.160 4.043 ( -0.447 -9.388 5.887) 11.090 4.197 ( -2.743 -25.376 4.811) 25.974 4.605 ( -4.963 -13.536 -4.101) 14.989 4.677 ( 1.169 -10.957 0.980) 11.063 4.909 ( 0.148 2.971 -2.292) 3.755 5.134 ( 4.038 0.876 -2.162) 4.663 5.498 ( 5.665 7.991 -1.813) 9.962 5.750 ( -5.024 -0.992 -2.275) 5.604 6.043 ( -8.893 0.936 3.189) 9.493 6.135 ( 6.988 7.369 -0.400) 10.163 6.432 ( -3.641 5.681 1.379) 6.887 6.529 ( -2.962 4.945 -2.936) 6.469 6.600 ( 2.317 14.345 2.566) 14.756 7.023 ( -9.374 2.494 1.316) 9.789 7.416 ( 0.366 3.459 -3.765) 5.125 7.457 ( 9.560 7.489 1.247) 12.208 7.740 ( -0.434 3.683 1.902) 4.168 8.232 ( 3.160 -3.321 -4.435) 6.378 8.281 ( -0.339 0.426 3.349) 3.393 8.430 ( -3.817 -0.859 -4.570) 6.016 8.892 ( 2.021 -0.679 -0.118) 2.136 9.044 ( 6.580 -10.720 2.332) 12.793 9.192 ( 1.905 -1.306 0.367) 2.339 9.635 ( -10.070 -15.340 3.113) 18.612 10.046 ( 0.194 -18.610 -3.916) 19.019 10.189 ( -1.245 -16.407 -1.874) 16.560 10.309 ( 0.792 -16.593 -1.234) 16.657 10.659 ( -2.723 -6.675 -1.254) 7.317 11.209 ( 5.487 0.560 3.952) 6.785 11.504 ( -4.111 5.086 -2.351) 6.949 11.826 ( 0.891 8.991 0.185) 9.037 12.538 ( -3.226 1.716 2.791) 4.598 13.149 ( -4.948 1.413 1.689) 5.416 13.844 ( 3.266 1.963 0.063) 3.811 13.901 ( 0.614 0.894 -1.304) 1.696 15.411 ( -1.368 0.780 1.940) 2.499 15.491 ( -0.547 2.158 2.279) 3.186 15.761 ( 1.212 1.627 0.691) 2.143 15.840 ( 1.386 3.162 0.866) 3.559 15.976 ( -4.063 5.043 -2.970) 7.124 16.229 ( 0.763 0.088 -5.894) 5.944 16.390 ( -3.136 -3.815 3.308) 5.944 16.619 ( 2.393 2.090 0.881) 3.297 17.800 ( 5.177 0.566 0.119) 5.209 17.929 ( 1.020 5.718 -1.159) 5.922 18.122 ( -0.071 -1.912 0.855) 2.095 18.505 ( 4.660 -0.036 -1.109) 4.790 19.000 ( 9.696 0.273 1.694) 9.847 19.514 ( -5.025 6.355 10.980) 13.645 19.743 ( -4.854 1.685 -9.016) 10.378 21.525 ( -3.825 4.938 -2.114) 6.595 27.900 ( 2.298 3.677 -0.154) 4.339 28.737 ( -4.992 3.617 -3.859) 7.273 29.559 ( -0.112 -1.295 1.606) 2.066 29.646 ( -0.286 0.636 -0.089) 0.703 29.977 ( -1.381 -0.590 -2.187) 2.653 30.117 ( 0.198 4.289 -0.297) 4.304 30.488 ( -0.332 1.695 -0.433) 1.781 30.706 ( 3.567 7.754 2.491) 8.891 30.835 ( -0.631 0.021 0.987) 1.172 31.036 ( -2.751 7.906 -2.558) 8.753 31.869 ( 7.089 1.161 -3.799) 8.126 32.131 ( -7.524 5.572 2.501) 9.691 32.353 ( -5.321 -8.724 2.006) 10.413 33.535 ( 5.877 -27.887 -4.736) 28.890 34.121 ( -11.560 -33.559 -2.067) 35.554 36.073 ( 10.200 -12.638 7.968) 18.090 ======================= Grid point 106 (46/160) ======================= q-point: ( 0.56 0.22 -0.86) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 1.172 8.243 -6.988) 10.870 2.249 ( 3.672 9.502 -8.436) 13.227 2.746 ( 1.952 -4.895 14.910) 15.813 3.013 ( -6.131 -0.833 -8.961) 10.890 3.255 ( 0.512 -6.072 7.460) 9.632 3.494 ( 1.400 -20.542 -2.069) 20.693 3.600 ( -2.423 -18.019 -0.057) 18.181 3.813 ( 2.533 -17.026 0.682) 17.227 3.898 ( 6.660 -26.183 5.416) 27.554 4.020 ( -0.022 -19.590 0.254) 19.592 4.216 ( -4.293 -13.759 -0.616) 14.426 4.304 ( 2.378 -11.501 0.178) 11.745 4.606 ( 4.076 -16.573 -5.254) 17.858 4.819 ( -2.218 -7.463 -0.425) 7.798 4.851 ( -5.135 -16.280 0.969) 17.098 4.934 ( -2.756 -14.589 -2.018) 14.983 5.124 ( 1.572 2.659 1.248) 3.331 5.483 ( 9.758 1.617 1.518) 10.007 5.731 ( -2.559 1.388 0.244) 2.922 5.957 ( 3.897 11.753 -0.676) 12.401 6.016 ( -5.931 1.464 0.404) 6.122 6.280 ( -0.270 12.468 0.996) 12.511 6.380 ( -3.603 2.117 2.235) 4.739 6.564 ( 4.072 -3.799 -2.641) 6.164 6.924 ( -11.206 -0.348 0.314) 11.216 7.296 ( 0.532 5.079 -7.981) 9.475 7.445 ( 9.234 6.265 3.744) 11.770 7.680 ( -2.516 3.239 2.335) 4.720 8.257 ( 2.835 -0.583 -3.024) 4.186 8.299 ( 0.988 2.498 4.873) 5.564 8.417 ( -3.733 -4.743 -4.463) 7.507 8.926 ( 2.840 -1.478 -1.537) 3.551 9.213 ( 1.423 0.441 1.111) 1.859 9.316 ( 4.844 -12.100 1.848) 13.164 9.796 ( -8.891 -11.721 0.287) 14.714 10.209 ( 0.507 -2.453 -1.630) 2.988 10.414 ( -0.481 -13.049 0.109) 13.059 10.649 ( 0.070 -21.655 0.634) 21.664 10.848 ( -0.137 -15.995 -0.014) 15.995 11.228 ( 5.008 4.942 1.386) 7.171 11.373 ( -4.324 3.881 -2.183) 6.207 11.659 ( 0.314 10.300 -0.129) 10.306 12.494 ( -2.810 3.296 2.865) 5.193 13.078 ( -2.671 2.756 -1.996) 4.326 13.811 ( 0.112 3.703 -0.192) 3.710 13.897 ( 2.498 -0.179 -0.886) 2.657 15.394 ( -0.682 0.840 0.459) 1.176 15.464 ( 0.199 1.918 0.634) 2.030 15.727 ( 0.461 5.306 0.543) 5.354 15.845 ( 1.491 -2.601 0.638) 3.066 15.864 ( -2.699 2.176 -0.688) 3.534 16.202 ( 1.192 -0.103 -3.826) 4.009 16.441 ( -3.239 -3.014 0.736) 4.485 16.574 ( 2.002 5.817 1.245) 6.276 17.778 ( 2.419 4.567 0.274) 5.175 17.917 ( 3.470 -1.443 -0.362) 3.776 18.161 ( -1.529 -2.116 1.814) 3.179 18.516 ( 2.139 0.109 -2.977) 3.667 19.099 ( 11.061 0.838 3.761) 11.713 19.479 ( -2.018 3.192 9.004) 9.764 19.599 ( -10.173 1.611 -6.661) 12.266 21.405 ( -2.143 4.152 -1.840) 5.022 27.862 ( 1.229 3.041 0.783) 3.372 28.641 ( -1.238 2.069 -2.856) 3.737 29.595 ( 0.093 -1.888 0.991) 2.134 29.686 ( 0.731 -4.302 0.884) 4.452 29.982 ( -0.476 -1.825 -0.080) 1.888 30.040 ( -0.444 3.623 -1.347) 3.891 30.373 ( 0.038 9.205 -1.087) 9.269 30.554 ( 1.393 11.927 -0.443) 12.016 30.845 ( -0.432 -1.154 -0.238) 1.255 30.900 ( -0.565 5.131 0.273) 5.169 31.807 ( 4.138 7.485 -2.605) 8.940 32.049 ( -5.732 2.841 5.363) 8.348 32.604 ( -4.882 -22.595 0.034) 23.116 33.964 ( 3.418 -19.491 -0.737) 19.802 34.531 ( -6.237 -24.152 -0.908) 24.961 36.402 ( 6.361 -13.950 1.005) 15.364 ======================= Grid point 107 (47/160) ======================= q-point: (-0.33 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 3.273 12.323 3.341) 13.181 2.031 ( 4.321 14.002 -5.012) 15.487 2.775 ( -9.371 -1.609 -9.112) 13.169 3.073 ( 1.901 -4.300 14.921) 15.644 3.365 ( 0.206 -3.061 -0.703) 3.148 3.695 ( 2.040 -4.398 -1.128) 4.978 3.852 ( -2.786 -6.453 -1.657) 7.221 4.022 ( -1.491 -14.931 -2.050) 15.145 4.219 ( 1.443 -8.362 0.541) 8.503 4.271 ( 0.515 -6.147 3.013) 6.865 4.373 ( 0.553 3.317 -0.101) 3.364 4.407 ( -2.316 -11.175 -1.542) 11.516 4.739 ( 2.368 1.154 -2.304) 3.500 4.812 ( 2.688 2.745 5.381) 6.612 5.092 ( -3.829 -7.954 2.212) 9.100 5.137 ( -1.747 -2.637 -0.576) 3.215 5.217 ( 5.557 -15.751 -5.403) 17.554 5.539 ( -2.561 13.156 4.372) 14.098 5.553 ( 3.906 2.209 2.473) 5.124 5.814 ( 0.955 3.270 -4.311) 5.495 5.987 ( -4.658 0.043 -0.926) 4.749 6.243 ( 5.815 -3.204 3.248) 7.392 6.298 ( -7.805 1.892 -2.178) 8.321 6.694 ( 5.739 -5.657 -2.139) 8.338 6.888 ( -6.325 -4.862 0.302) 7.983 7.158 ( -0.008 4.759 -6.289) 7.887 7.425 ( 4.939 3.912 -1.501) 6.477 7.646 ( -2.190 2.294 6.683) 7.397 8.195 ( -0.154 7.185 1.101) 7.270 8.333 ( 3.654 -0.316 1.677) 4.033 8.456 ( -1.400 -4.548 -0.800) 4.825 8.948 ( 2.329 -0.853 -5.204) 5.765 9.203 ( -1.194 1.768 0.609) 2.218 9.493 ( 0.691 -1.449 2.784) 3.214 9.910 ( -2.919 -8.292 -0.657) 8.815 10.212 ( 1.293 -1.178 -0.708) 1.887 10.644 ( 0.087 -13.337 1.078) 13.381 10.985 ( -0.209 -14.353 1.128) 14.398 11.034 ( 1.522 0.920 0.005) 1.778 11.158 ( 0.048 5.785 -0.162) 5.787 11.321 ( 0.066 -6.792 -1.328) 6.920 11.527 ( 0.443 3.952 -1.415) 4.221 12.427 ( -3.008 3.894 4.037) 6.365 13.002 ( 0.118 2.681 -2.578) 3.721 13.730 ( -0.527 5.324 0.505) 5.373 13.928 ( 2.151 -1.622 -0.625) 2.766 15.380 ( -0.750 0.213 -0.824) 1.134 15.451 ( 0.291 -0.381 -0.561) 0.737 15.636 ( 0.016 4.590 0.253) 4.597 15.823 ( -1.523 -0.018 -0.189) 1.535 15.954 ( 1.071 -6.429 1.128) 6.615 16.191 ( 1.730 0.264 -2.460) 3.019 16.410 ( -3.656 3.863 -0.868) 5.389 16.523 ( 1.688 2.636 2.915) 4.277 17.730 ( 1.253 3.588 1.179) 3.980 17.967 ( 2.651 -1.363 -1.086) 3.172 18.190 ( -2.435 -1.616 1.680) 3.371 18.497 ( 2.002 0.404 -5.383) 5.757 19.189 ( 6.536 1.090 4.622) 8.079 19.409 ( -11.084 2.678 -7.121) 13.444 19.513 ( -0.398 0.950 8.044) 8.110 21.338 ( 0.271 1.917 0.230) 1.950 27.822 ( -0.584 2.431 0.045) 2.501 28.602 ( 1.328 1.219 -0.272) 1.822 29.638 ( 0.151 -1.937 0.813) 2.106 29.791 ( 0.354 -6.536 -0.324) 6.554 29.955 ( -0.493 3.548 -0.551) 3.624 30.051 ( 0.631 -4.776 0.470) 4.841 30.221 ( 0.621 6.458 -2.195) 6.849 30.362 ( 0.107 9.712 -1.083) 9.773 30.808 ( -0.091 3.316 -0.463) 3.349 30.896 ( -0.127 -2.308 0.952) 2.500 31.704 ( 2.793 4.916 -2.642) 6.241 32.005 ( -5.695 1.480 6.123) 8.492 32.929 ( -1.584 -16.516 -0.022) 16.592 34.210 ( 2.190 -6.625 0.317) 6.984 34.806 ( -1.514 -10.840 3.120) 11.381 36.642 ( 3.072 -11.381 -6.241) 13.338 ======================= Grid point 108 (48/160) ======================= q-point: (-0.22 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 9.274 16.440 9.327) 21.055 1.805 ( 5.743 15.409 8.628) 18.570 2.645 ( -9.128 -1.745 -12.468) 15.551 3.257 ( 1.021 -0.546 12.879) 12.931 3.342 ( -0.393 1.100 -5.040) 5.173 3.691 ( -0.760 5.390 0.771) 5.497 3.839 ( -5.282 -1.205 -2.794) 6.096 4.005 ( -1.914 14.655 -4.688) 15.505 4.188 ( -0.259 14.540 1.680) 14.639 4.270 ( -0.423 8.062 0.625) 8.097 4.405 ( -0.568 0.878 -2.970) 3.148 4.489 ( -2.284 -10.077 -2.337) 10.593 4.684 ( 4.410 6.045 1.524) 7.637 4.793 ( 3.452 9.610 3.611) 10.830 5.041 ( 1.671 6.217 -0.607) 6.466 5.187 ( -0.686 -2.189 3.159) 3.904 5.237 ( 0.846 12.280 4.509) 13.109 5.513 ( 5.373 -3.663 -2.324) 6.905 5.616 ( -0.992 0.670 0.151) 1.207 5.713 ( -1.937 1.023 -2.378) 3.233 6.031 ( 0.988 -10.684 -1.486) 10.832 6.179 ( -9.693 -0.228 -4.082) 10.520 6.398 ( 5.503 -5.258 2.648) 8.058 6.744 ( -1.709 -1.782 -5.189) 5.746 6.983 ( 0.631 -5.333 -0.743) 5.421 7.070 ( 1.823 1.061 -1.766) 2.751 7.401 ( 1.119 -0.928 -2.209) 2.645 7.649 ( -1.029 2.729 8.755) 9.228 8.057 ( -1.543 9.120 2.216) 9.511 8.381 ( 5.017 0.346 2.612) 5.667 8.534 ( 1.200 -4.158 1.727) 4.660 8.902 ( 0.108 2.005 -7.763) 8.019 9.121 ( -4.778 5.977 0.092) 7.652 9.431 ( 1.220 8.565 1.904) 8.858 10.009 ( 1.166 -3.399 -0.048) 3.593 10.261 ( -0.041 -1.148 1.410) 1.819 10.780 ( 1.489 6.706 -3.418) 7.673 10.904 ( -1.164 3.717 2.491) 4.623 11.023 ( -0.259 3.003 0.274) 3.027 11.197 ( 0.415 -7.525 -3.284) 8.221 11.484 ( -0.350 -4.081 0.082) 4.097 11.539 ( 2.705 -9.830 -8.758) 13.441 12.431 ( -4.031 -3.913 9.756) 11.258 12.963 ( 1.054 1.035 0.086) 1.480 13.647 ( 1.227 5.224 1.437) 5.555 13.970 ( 1.175 -1.859 -0.184) 2.207 15.361 ( -1.911 -0.370 -1.494) 2.454 15.473 ( -0.685 -2.694 -0.402) 2.809 15.594 ( 1.447 2.043 1.901) 3.144 15.828 ( -0.924 -2.522 -2.266) 3.514 16.054 ( 1.716 -2.526 -0.817) 3.161 16.192 ( -0.935 -1.902 -0.339) 2.146 16.309 ( -1.822 4.347 3.069) 5.625 16.521 ( 0.248 1.152 1.568) 1.961 17.690 ( 0.040 2.972 1.747) 3.447 17.972 ( -0.004 0.763 -3.105) 3.198 18.196 ( -1.999 -0.524 -0.218) 2.078 18.464 ( 4.071 0.903 -6.800) 7.977 19.180 ( -12.676 3.737 2.337) 13.420 19.261 ( -0.721 -0.580 -4.201) 4.302 19.583 ( 7.914 1.014 7.014) 10.623 21.348 ( 1.574 -0.629 2.993) 3.439 27.776 ( -1.736 1.195 -0.458) 2.157 28.616 ( 2.891 0.269 2.908) 4.109 29.656 ( -1.159 0.311 0.396) 1.264 29.863 ( -6.441 -3.362 -2.692) 7.748 29.920 ( 6.764 -0.387 -2.127) 7.101 30.143 ( 2.182 1.545 -3.063) 4.066 30.178 ( 0.594 -7.128 3.198) 7.835 30.249 ( -0.558 2.402 0.713) 2.567 30.767 ( 0.111 1.580 1.657) 2.292 30.943 ( -0.365 -3.142 -0.558) 3.212 31.661 ( 2.876 0.569 -2.680) 3.972 32.007 ( -6.090 -2.140 6.615) 9.243 33.087 ( -1.108 -3.159 -1.078) 3.517 34.223 ( 2.970 6.804 -1.544) 7.582 34.913 ( 2.871 3.236 7.341) 8.521 36.704 ( -2.624 -3.484 -15.713) 16.308 ======================= Grid point 109 (49/160) ======================= q-point: (-0.11 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 6.895 20.376 7.360) 22.735 1.841 ( 18.565 11.246 29.837) 36.897 2.503 ( -6.855 -1.083 -14.979) 16.509 3.157 ( -0.429 9.161 -5.582) 10.736 3.359 ( -1.464 6.481 8.158) 10.521 3.509 ( -2.711 19.679 2.148) 19.981 3.574 ( -5.373 20.101 -2.790) 20.993 3.763 ( 1.323 28.147 6.879) 29.006 3.803 ( -1.702 12.213 -5.993) 13.710 4.070 ( -1.177 15.127 0.449) 15.180 4.150 ( -5.908 15.622 -2.775) 16.931 4.469 ( 6.399 22.449 -4.572) 23.787 4.652 ( 3.328 4.116 -1.380) 5.470 4.660 ( -2.465 -3.420 -4.762) 6.360 4.926 ( -3.885 23.171 3.161) 23.706 5.125 ( 7.542 -6.259 2.842) 10.205 5.210 ( 3.262 4.980 6.181) 8.582 5.344 ( 1.463 18.210 -5.104) 18.968 5.653 ( 4.608 -8.109 -3.797) 10.070 5.841 ( -1.606 -12.281 4.918) 13.327 6.111 ( -8.606 -4.071 -1.307) 9.610 6.315 ( 1.954 -18.778 -5.780) 19.745 6.549 ( 5.551 -6.495 3.443) 9.211 6.675 ( -5.970 -0.408 -8.154) 10.114 6.959 ( -6.522 0.593 -1.708) 6.768 7.173 ( 8.504 -3.532 2.178) 9.463 7.454 ( 0.328 -4.958 -0.283) 4.977 7.654 ( -1.348 3.133 6.981) 7.769 7.933 ( -0.542 5.671 5.077) 7.631 8.443 ( 5.961 1.023 4.491) 7.533 8.616 ( 3.224 -1.635 -2.213) 4.238 8.783 ( -2.027 4.039 -4.915) 6.677 8.942 ( -4.062 9.035 -0.110) 9.907 9.309 ( 0.838 8.615 2.059) 8.897 10.000 ( -0.925 6.498 0.736) 6.605 10.214 ( -0.230 7.175 2.333) 7.548 10.524 ( 1.326 17.379 -2.053) 17.550 10.799 ( -0.260 6.494 -1.172) 6.604 11.083 ( -0.259 -4.254 -2.042) 4.726 11.224 ( 0.811 -0.656 -16.417) 16.450 11.511 ( -1.591 -1.931 -1.541) 2.939 11.625 ( 1.719 -5.252 -3.407) 6.492 12.611 ( -7.985 -11.185 7.601) 15.705 13.001 ( -1.925 -3.527 6.142) 7.340 13.608 ( 5.248 3.423 1.913) 6.551 14.003 ( -0.218 -1.371 0.344) 1.430 15.342 ( -3.191 -0.108 0.548) 3.240 15.541 ( 0.115 -6.562 0.770) 6.608 15.605 ( 1.066 0.211 2.134) 2.395 15.839 ( -1.782 -2.468 -4.475) 5.412 16.073 ( 4.362 0.749 0.983) 4.534 16.224 ( -9.023 -4.976 1.696) 10.442 16.313 ( 4.208 0.625 5.455) 6.918 16.501 ( -0.665 1.585 -0.513) 1.794 17.663 ( 0.520 1.765 1.985) 2.706 17.895 ( -2.475 2.898 -4.651) 6.013 18.179 ( -0.020 0.021 -2.587) 2.587 18.440 ( 5.802 1.018 -6.461) 8.743 19.032 ( -9.162 2.472 1.388) 9.590 19.266 ( -3.091 -2.662 0.604) 4.123 19.708 ( 13.179 -0.818 4.409) 13.921 21.418 ( 1.259 -2.394 5.443) 6.078 27.767 ( -0.561 -2.056 0.183) 2.139 28.682 ( 2.844 -1.433 6.178) 6.951 29.620 ( -1.493 1.609 -1.085) 2.448 29.814 ( -5.930 -0.286 -2.133) 6.309 29.998 ( 5.611 -3.594 -3.197) 7.391 30.122 ( 1.090 0.241 -1.927) 2.227 30.269 ( 1.904 -2.992 0.632) 3.602 30.357 ( 0.274 -9.036 4.182) 9.960 30.793 ( -0.302 -2.569 2.950) 3.924 30.998 ( 0.112 -4.451 -0.246) 4.459 31.679 ( 3.630 -0.891 -2.143) 4.308 32.076 ( -5.902 -6.394 5.921) 10.525 32.998 ( -4.974 8.823 -2.344) 10.396 34.015 ( 5.830 18.032 -7.021) 20.210 34.869 ( 6.223 13.041 10.200) 17.687 36.413 ( -13.301 14.448 -26.651) 33.105 ======================= Grid point 113 (50/160) ======================= q-point: ( 0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 0.400 -0.000 -2.906) 2.934 1.772 ( 7.070 -0.000 7.625) 10.398 2.211 ( 0.542 -0.000 -2.666) 2.721 2.256 ( 0.746 -0.000 -7.801) 7.837 2.397 ( 22.586 -0.000 13.439) 26.281 2.697 ( -1.548 0.000 0.547) 1.642 2.707 ( 1.892 -0.000 1.286) 2.288 2.872 ( -2.081 0.000 -4.066) 4.568 3.270 ( -5.274 0.000 -12.827) 13.869 3.345 ( -10.387 0.000 0.234) 10.390 3.380 ( 6.845 -0.000 -1.404) 6.988 3.715 ( -6.188 0.000 5.115) 8.028 3.994 ( 9.575 -0.000 14.488) 17.366 4.301 ( -9.328 0.000 -5.231) 10.695 4.575 ( 6.957 -0.000 1.638) 7.147 4.969 ( -0.870 0.000 -5.018) 5.093 5.145 ( 8.270 -0.000 -0.204) 8.273 5.689 ( -12.184 0.000 -3.993) 12.821 5.741 ( 7.219 -0.000 -2.158) 7.535 6.020 ( -5.942 0.000 -0.406) 5.956 6.304 ( -1.070 0.000 6.052) 6.146 6.376 ( -6.562 0.000 -9.438) 11.495 6.798 ( -7.183 0.000 7.679) 10.515 6.866 ( 3.814 -0.000 1.550) 4.117 7.185 ( 1.877 -0.000 -2.361) 3.016 7.458 ( -0.625 0.000 0.076) 0.629 7.671 ( 7.177 -0.000 1.127) 7.265 7.847 ( 0.297 -0.000 0.687) 0.749 7.998 ( 6.268 -0.000 0.556) 6.293 8.285 ( -7.899 0.000 -6.937) 10.513 8.682 ( -2.736 0.000 0.402) 2.765 8.722 ( 7.934 -0.000 -2.436) 8.299 8.919 ( -0.274 0.000 -2.714) 2.728 9.172 ( -5.504 0.000 3.736) 6.652 9.228 ( 2.191 -0.000 3.840) 4.422 9.454 ( -0.938 0.000 -1.854) 2.078 9.765 ( -2.088 0.000 -1.185) 2.401 10.105 ( 3.383 -0.000 0.489) 3.418 10.564 ( -4.560 0.000 -3.503) 5.750 11.213 ( 6.730 -0.000 6.050) 9.050 11.603 ( -4.979 0.000 -3.026) 5.826 11.987 ( 1.605 -0.000 0.264) 1.627 12.565 ( -3.020 0.000 2.573) 3.968 13.159 ( -6.297 0.000 1.636) 6.506 13.881 ( 1.974 -0.000 -0.054) 1.975 13.927 ( 2.347 -0.000 0.856) 2.499 15.422 ( -1.665 0.000 2.073) 2.659 15.533 ( -0.200 0.000 3.179) 3.186 15.789 ( -1.181 0.000 -0.974) 1.531 15.929 ( 2.127 -0.000 2.550) 3.321 16.096 ( -4.326 0.000 -2.176) 4.843 16.202 ( 2.982 -0.000 -11.035) 11.431 16.318 ( -5.960 0.000 5.330) 7.996 16.627 ( 3.297 -0.000 0.599) 3.351 17.796 ( 6.253 -0.000 -0.025) 6.253 18.087 ( -3.630 0.000 -0.536) 3.669 18.096 ( 2.315 -0.000 -0.007) 2.315 18.510 ( 5.651 -0.000 -0.116) 5.652 19.008 ( 11.354 -0.000 1.103) 11.407 19.663 ( -9.289 0.000 10.321) 13.885 19.800 ( -4.111 0.000 -10.150) 10.951 21.632 ( -4.175 0.000 -2.737) 4.993 27.980 ( 2.197 -0.000 -2.611) 3.412 28.831 ( -9.702 0.000 -5.571) 11.188 29.543 ( -0.623 0.000 1.997) 2.092 29.826 ( -2.948 0.000 -2.539) 3.890 29.978 ( -1.727 0.000 -2.840) 3.324 30.135 ( -0.903 0.000 0.006) 0.903 30.238 ( 0.344 -0.000 0.098) 0.358 30.754 ( 1.980 -0.000 2.356) 3.078 30.878 ( 6.420 -0.000 1.605) 6.617 31.210 ( -5.300 0.000 -4.093) 6.697 31.957 ( 7.457 -0.000 -13.777) 15.666 32.508 ( 5.741 -0.000 9.188) 10.834 32.527 ( -0.908 0.000 0.059) 0.910 32.672 ( 0.916 -0.000 -0.001) 0.916 33.175 ( -16.289 0.000 2.154) 16.431 35.847 ( 10.650 -0.000 10.886) 15.229 ======================= Grid point 114 (51/160) ======================= q-point: ( 0.44 0.33 -0.86) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 1.033 -36.547 -6.344) 37.108 2.157 ( 1.894 1.595 -9.467) 9.786 2.353 ( 7.462 -44.727 5.647) 45.695 2.515 ( -0.095 -29.570 -0.629) 29.577 2.731 ( 15.346 -9.005 13.433) 22.294 2.803 ( 1.242 -5.793 -8.614) 10.455 2.838 ( 0.630 -12.566 1.455) 12.666 2.995 ( -3.684 -19.985 -1.364) 20.368 3.159 ( -3.631 -9.820 -9.625) 14.222 3.298 ( -8.234 -2.126 9.341) 12.632 3.556 ( 3.541 -16.163 -1.909) 16.656 3.822 ( -1.859 -10.550 3.584) 11.296 4.143 ( 4.204 -1.946 6.583) 8.050 4.280 ( -7.562 -10.440 -4.747) 13.737 4.599 ( 0.094 -1.293 -3.613) 3.838 4.914 ( -0.823 1.063 -2.663) 2.983 5.269 ( 13.569 2.286 7.275) 15.565 5.580 ( -5.350 1.059 -1.752) 5.728 5.738 ( 4.021 2.942 -1.670) 5.255 5.971 ( -9.671 -0.117 1.788) 9.836 6.243 ( 1.506 2.211 -4.380) 5.133 6.355 ( -4.790 -2.718 -0.943) 5.588 6.708 ( -1.336 9.413 4.078) 10.345 6.839 ( -0.907 7.265 1.709) 7.518 7.071 ( -2.679 10.153 -0.968) 10.545 7.435 ( 0.172 2.384 -2.848) 3.718 7.667 ( 7.781 6.353 1.306) 10.129 7.809 ( -1.763 3.249 2.273) 4.339 8.151 ( 4.106 -7.898 0.194) 8.904 8.217 ( -2.813 -3.002 -3.819) 5.613 8.496 ( -1.982 10.550 0.239) 10.737 8.886 ( 3.221 -2.648 -1.518) 4.437 8.915 ( 5.269 -7.512 -2.148) 9.424 9.211 ( -0.498 -1.589 2.664) 3.141 9.335 ( -7.186 -11.317 2.356) 13.611 9.650 ( 0.304 -21.392 -1.319) 21.435 9.872 ( -0.808 -14.348 -0.525) 14.380 10.172 ( 2.083 -4.721 0.700) 5.207 10.547 ( -2.580 -3.546 -0.857) 4.468 11.298 ( 5.536 0.706 4.275) 7.030 11.510 ( -4.989 2.774 -3.731) 6.819 11.954 ( 1.085 5.060 -0.455) 5.195 12.556 ( -2.339 0.809 2.488) 3.509 13.108 ( -5.163 -0.301 -2.812) 5.886 13.886 ( 1.230 0.607 -0.223) 1.390 13.939 ( 1.991 1.890 1.215) 3.002 15.412 ( -1.620 0.225 0.078) 1.638 15.540 ( -0.562 1.632 2.428) 2.979 15.774 ( -0.278 0.146 -0.076) 0.323 15.934 ( 2.115 3.641 2.299) 4.798 16.005 ( -3.121 4.027 -2.933) 5.879 16.167 ( 1.606 -1.793 -8.234) 8.579 16.334 ( -3.038 -2.438 3.206) 5.045 16.655 ( 2.028 -0.113 0.123) 2.035 17.851 ( 5.797 -0.155 0.986) 5.883 18.006 ( -2.996 4.444 -1.300) 5.515 18.120 ( 1.069 -0.079 2.097) 2.355 18.535 ( 2.572 0.651 -1.000) 2.835 19.125 ( 14.528 0.654 1.890) 14.664 19.612 ( -10.003 3.445 8.125) 13.340 19.687 ( -4.606 2.691 -4.904) 7.246 21.553 ( -2.484 3.286 -2.649) 4.897 27.962 ( 1.718 2.204 -1.056) 2.987 28.715 ( -3.553 1.813 -4.763) 6.213 29.558 ( -0.828 -0.364 2.751) 2.896 29.695 ( -0.546 6.075 -0.505) 6.121 29.952 ( -0.683 0.077 -0.913) 1.143 30.189 ( 0.985 3.283 -0.627) 3.484 30.344 ( -2.838 -14.794 0.283) 15.066 30.792 ( 0.836 -1.006 1.430) 1.937 30.901 ( 4.865 4.830 0.524) 6.875 31.098 ( -3.902 4.453 -3.162) 6.712 31.871 ( 5.821 2.634 -9.112) 11.129 32.272 ( -2.617 16.438 -0.484) 16.652 32.407 ( -2.088 9.465 7.402) 12.196 33.090 ( 4.384 -28.210 2.893) 28.695 33.448 ( -8.482 -33.304 -0.233) 34.368 36.018 ( 4.582 -6.338 3.864) 8.723 ======================= Grid point 115 (52/160) ======================= q-point: ( 0.56 0.33 -0.86) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 6.443 4.901 -1.000) 8.156 2.270 ( 4.487 -4.457 -13.432) 14.846 2.745 ( -8.757 -4.482 -0.293) 9.841 2.906 ( 3.409 -5.529 1.265) 6.617 3.112 ( -0.118 -25.279 -5.054) 25.780 3.161 ( -3.566 -21.022 2.455) 21.463 3.190 ( 4.948 -28.544 -3.529) 29.183 3.356 ( 2.012 -23.254 12.125) 26.302 3.412 ( 0.914 -33.666 8.458) 34.724 3.648 ( -1.084 -27.534 -1.078) 27.577 3.917 ( -4.618 -22.064 -2.585) 22.690 4.034 ( 4.084 -14.453 -0.962) 15.049 4.282 ( -3.537 -17.189 -1.467) 17.610 4.479 ( 0.180 -19.462 -3.060) 19.702 4.627 ( 0.773 -4.376 0.742) 4.505 4.881 ( 0.364 1.509 -0.758) 1.728 5.285 ( 2.065 8.653 4.902) 10.157 5.576 ( 4.016 -1.060 1.521) 4.423 5.742 ( 5.248 1.696 0.236) 5.520 5.874 ( -12.628 -0.953 -0.737) 12.685 6.207 ( 4.193 5.739 -1.952) 7.371 6.346 ( -3.081 -1.263 -1.444) 3.629 6.528 ( 0.305 13.454 2.649) 13.716 6.682 ( 4.892 10.756 0.185) 11.818 6.865 ( -11.043 5.826 1.778) 12.611 7.337 ( 2.711 5.208 -7.973) 9.901 7.630 ( 5.992 6.436 -0.678) 8.819 7.750 ( -3.156 3.699 5.593) 7.411 8.253 ( 3.746 -1.280 -1.439) 4.212 8.276 ( -0.106 -5.391 -1.871) 5.707 8.379 ( -1.697 2.316 4.271) 5.146 8.901 ( 1.171 -1.142 -2.282) 2.808 9.124 ( 3.814 -8.977 -3.458) 10.348 9.257 ( 1.620 -3.501 3.131) 4.968 9.502 ( -8.296 -14.385 1.002) 16.636 10.032 ( 2.238 -18.800 -0.133) 18.933 10.179 ( 0.148 -18.051 1.762) 18.137 10.327 ( 0.595 -14.017 1.412) 14.100 10.632 ( -0.705 -8.338 1.546) 8.510 11.327 ( 0.243 0.897 -0.712) 1.170 11.395 ( -0.432 5.201 -1.007) 5.316 11.832 ( 0.371 9.296 -0.851) 9.343 12.530 ( -2.885 1.752 1.777) 3.814 13.051 ( -1.917 -0.076 -5.465) 5.792 13.872 ( 0.453 2.216 0.410) 2.299 13.923 ( 1.599 1.780 0.157) 2.398 15.392 ( -1.138 0.368 -1.076) 1.609 15.502 ( -1.314 2.604 -0.259) 2.928 15.785 ( -0.038 -0.702 0.860) 1.111 15.866 ( 0.266 5.306 -1.390) 5.491 15.909 ( -0.173 4.237 1.196) 4.406 16.165 ( 2.089 -1.862 -5.476) 6.150 16.379 ( -1.481 -2.585 1.123) 3.183 16.656 ( 0.832 1.777 0.491) 2.023 17.890 ( 2.857 5.028 1.770) 6.047 17.916 ( 0.523 -0.258 -0.351) 0.681 18.144 ( -1.035 -0.616 2.850) 3.094 18.519 ( 1.562 1.056 -3.282) 3.785 19.220 ( 9.070 1.238 0.389) 9.162 19.513 ( -14.079 2.244 0.768) 14.278 19.594 ( 2.377 4.608 5.193) 7.338 21.459 ( 0.042 4.461 -1.326) 4.654 27.920 ( 0.572 3.113 -0.837) 3.274 28.652 ( 0.961 1.583 -2.188) 2.866 29.579 ( -0.915 -0.887 2.112) 2.467 29.649 ( 0.092 -0.399 0.591) 0.719 29.957 ( 0.609 -0.906 0.589) 1.241 30.113 ( 0.245 5.097 -0.541) 5.131 30.468 ( -0.542 0.402 -0.360) 0.764 30.750 ( -0.004 9.480 -2.172) 9.725 30.833 ( -0.090 1.448 -0.712) 1.616 30.988 ( 0.375 5.149 0.357) 5.174 31.925 ( 7.430 -3.389 -3.898) 9.049 32.030 ( -6.635 4.091 -0.014) 7.795 32.337 ( -3.375 -0.944 4.195) 5.467 33.631 ( 3.853 -25.602 7.180) 26.868 33.983 ( -3.271 -34.469 -0.621) 34.629 36.191 ( -0.370 -12.057 -3.715) 12.622 ======================= Grid point 116 (53/160) ======================= q-point: (-0.33 -0.67 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 9.602 7.664 9.812) 15.723 2.169 ( 3.281 4.980 -13.070) 14.366 2.637 ( -8.302 1.442 -6.588) 10.696 3.082 ( 0.670 -6.533 9.551) 11.591 3.334 ( -2.186 -4.209 5.158) 7.007 3.481 ( 2.396 -19.762 -3.948) 20.294 3.563 ( -4.060 -16.501 -4.596) 17.604 3.772 ( -2.026 -15.370 1.618) 15.587 3.984 ( -1.711 -19.031 -1.223) 19.147 4.070 ( -2.141 -24.711 5.396) 25.384 4.113 ( 2.311 -16.769 -4.126) 17.423 4.328 ( -0.513 -10.014 0.162) 10.029 4.681 ( 5.039 -21.480 -6.149) 22.904 4.766 ( -0.603 -14.572 1.459) 14.657 4.820 ( 1.037 -9.641 3.480) 10.302 4.917 ( 1.642 -13.661 0.692) 13.777 5.193 ( 1.149 5.771 5.945) 8.365 5.592 ( -4.122 4.107 0.055) 5.819 5.686 ( 0.036 0.857 -1.489) 1.718 5.904 ( -0.479 -5.983 -1.507) 6.188 6.002 ( 1.139 17.704 -1.430) 17.798 6.295 ( -1.300 8.001 3.181) 8.708 6.337 ( -1.508 5.610 -0.982) 5.891 6.671 ( 9.019 -1.582 -3.014) 9.640 6.770 ( -7.692 -2.513 4.510) 9.264 7.202 ( 1.648 5.733 -8.085) 10.047 7.516 ( 2.394 6.815 -5.211) 8.907 7.734 ( -2.421 2.564 8.680) 9.369 8.248 ( -0.981 0.151 -2.098) 2.321 8.363 ( 0.350 -1.959 2.037) 2.848 8.416 ( 5.307 -1.487 4.665) 7.221 8.897 ( 0.187 -0.915 -5.784) 5.859 9.174 ( -2.794 -1.972 -3.010) 4.556 9.423 ( -0.993 -8.655 4.355) 9.740 9.708 ( -0.144 -13.462 -0.027) 13.463 10.203 ( 1.496 -1.921 -1.386) 2.801 10.451 ( 1.087 -13.023 3.904) 13.639 10.694 ( 0.660 -20.785 4.616) 21.302 10.854 ( 0.529 -15.479 0.620) 15.501 11.259 ( -4.495 2.242 -2.689) 5.698 11.328 ( 4.743 5.557 0.514) 7.324 11.651 ( -0.151 10.451 -1.089) 10.509 12.477 ( -3.169 2.555 1.042) 4.202 13.004 ( 1.011 0.516 -5.271) 5.392 13.823 ( 0.457 4.393 1.009) 4.530 13.920 ( 0.944 -0.284 -0.286) 1.027 15.366 ( -1.062 0.478 -1.690) 2.053 15.446 ( -1.327 1.288 -1.859) 2.622 15.728 ( -0.426 5.242 -0.651) 5.299 15.844 ( -0.324 2.008 0.765) 2.173 15.876 ( 0.513 -2.340 1.824) 3.011 16.178 ( 2.375 -1.416 -4.061) 4.912 16.395 ( -0.457 -0.147 -2.182) 2.234 16.621 ( -0.314 3.583 3.059) 4.721 17.818 ( 0.094 4.869 1.708) 5.161 17.950 ( 0.365 -1.335 0.053) 1.385 18.166 ( -1.838 -0.958 2.556) 3.291 18.488 ( 2.978 0.754 -5.379) 6.194 19.228 ( -1.339 0.563 -1.552) 2.125 19.338 ( -13.598 3.935 -1.275) 14.213 19.642 ( 9.328 2.599 8.715) 13.027 21.394 ( 1.780 3.339 0.209) 3.790 27.854 ( -1.016 3.230 -1.784) 3.827 28.639 ( 2.796 1.013 0.138) 2.977 29.610 ( -0.585 -1.890 1.764) 2.651 29.691 ( -1.339 -3.864 0.425) 4.112 30.000 ( 1.780 -2.049 -0.324) 2.734 30.030 ( 0.448 3.995 1.313) 4.229 30.354 ( 0.573 9.585 -2.063) 9.822 30.533 ( -0.438 11.689 -3.444) 12.194 30.813 ( -0.204 -0.320 -1.818) 1.857 30.929 ( 0.404 3.810 2.252) 4.444 31.816 ( 1.344 8.011 -2.689) 8.556 32.042 ( -3.786 1.965 4.727) 6.367 32.566 ( 0.108 -22.693 0.350) 22.696 34.066 ( 2.170 -15.697 7.250) 17.426 34.519 ( 2.791 -26.525 4.027) 26.974 36.355 ( -3.704 -14.571 -10.021) 18.068 ======================= Grid point 117 (54/160) ======================= q-point: (-0.22 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 4.753 9.277 -6.783) 12.436 2.131 ( 10.075 6.312 16.201) 20.095 2.514 ( -4.692 2.597 -2.676) 5.994 3.251 ( -1.976 -6.856 4.053) 8.206 3.360 ( -0.660 2.662 3.622) 4.543 3.583 ( -10.443 -5.650 -10.436) 15.808 3.748 ( 2.061 -9.739 -3.650) 10.603 4.006 ( -0.504 -11.861 2.596) 12.152 4.219 ( 0.735 -7.630 -1.125) 7.747 4.280 ( -1.715 0.194 -4.964) 5.256 4.324 ( -2.495 -5.271 2.823) 6.479 4.397 ( 0.967 -5.649 -0.880) 5.799 4.785 ( 3.349 -0.439 1.016) 3.527 4.941 ( 1.019 -0.312 -3.479) 3.638 5.107 ( -0.024 -8.257 5.515) 9.930 5.118 ( -0.007 -3.845 5.005) 6.312 5.288 ( 7.382 -9.525 -0.412) 12.058 5.511 ( -4.419 -3.231 2.012) 5.833 5.623 ( -0.971 10.318 6.324) 12.141 5.760 ( 1.630 6.744 -5.513) 8.862 5.961 ( -4.448 -4.837 -5.303) 8.444 6.088 ( -0.522 8.512 -1.153) 8.605 6.387 ( 2.715 -4.219 2.542) 5.624 6.685 ( -1.643 -0.311 -2.914) 3.360 6.893 ( 3.349 -5.844 0.672) 6.769 7.077 ( -0.006 2.029 -4.488) 4.925 7.417 ( 3.543 3.056 -3.687) 5.957 7.731 ( -3.964 1.828 7.712) 8.861 8.178 ( -2.992 5.315 -0.020) 6.099 8.425 ( 2.257 -2.152 4.016) 5.085 8.533 ( 7.850 -1.706 2.676) 8.468 8.849 ( -1.396 -0.071 -8.220) 8.338 9.129 ( -6.125 1.093 -1.783) 6.472 9.524 ( -2.277 -0.905 3.170) 4.006 9.928 ( 4.525 -8.955 0.239) 10.036 10.219 ( 0.695 -2.088 -0.621) 2.287 10.691 ( 1.456 -9.915 3.225) 10.527 10.975 ( -1.821 -6.789 -0.806) 7.075 11.057 ( 0.430 -5.103 2.363) 5.640 11.147 ( -0.851 6.399 -0.782) 6.502 11.334 ( 2.947 -4.951 -0.424) 5.777 11.504 ( 0.123 4.229 -1.983) 4.672 12.429 ( -2.964 0.704 2.543) 3.968 12.977 ( 1.546 0.335 -2.593) 3.037 13.760 ( 2.161 4.893 1.387) 5.526 13.938 ( -0.455 -1.741 -0.291) 1.823 15.338 ( -1.026 0.465 -1.055) 1.543 15.420 ( -1.662 -1.300 -1.886) 2.830 15.658 ( 0.497 2.673 0.548) 2.774 15.805 ( 0.185 1.838 -0.116) 1.851 15.961 ( -2.027 -5.758 1.313) 6.244 16.185 ( 1.496 0.021 -2.681) 3.070 16.350 ( 1.510 1.671 -4.397) 4.941 16.587 ( -1.430 3.395 5.291) 6.447 17.751 ( -1.840 3.570 1.647) 4.341 17.953 ( -1.942 0.009 -1.364) 2.373 18.181 ( -0.448 -0.429 0.681) 0.921 18.469 ( 5.308 0.656 -5.836) 7.916 19.153 ( -13.475 3.348 2.677) 14.141 19.190 ( -4.028 -0.248 -4.352) 5.936 19.749 ( 11.699 2.222 6.792) 13.709 21.382 ( 1.944 0.730 1.752) 2.717 27.779 ( -1.735 2.198 -2.078) 3.487 28.662 ( 2.830 -0.016 1.934) 3.428 29.649 ( -1.331 -1.160 2.417) 2.994 29.735 ( -3.939 -3.664 -1.655) 5.628 29.976 ( 4.448 2.118 -1.630) 5.189 30.099 ( 0.870 -4.963 3.408) 6.084 30.195 ( 0.934 6.242 -3.104) 7.034 30.337 ( -0.026 7.896 -2.380) 8.247 30.807 ( 0.458 0.714 -0.217) 0.875 30.901 ( -0.728 0.293 0.672) 1.033 31.702 ( 1.943 4.216 -2.942) 5.496 32.003 ( -5.460 1.605 6.126) 8.362 32.919 ( 0.971 -15.237 -0.396) 15.273 34.286 ( 1.490 -3.445 4.316) 5.720 34.939 ( 7.301 -11.804 8.321) 16.183 36.442 ( -6.447 -9.901 -14.987) 19.084 ======================= Grid point 118 (55/160) ======================= q-point: (-0.11 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 7.802 12.446 1.349) 14.751 2.233 ( 2.359 0.075 6.798) 7.196 2.457 ( 8.498 7.167 10.779) 15.485 3.227 ( -3.091 3.763 -3.958) 6.276 3.406 ( -3.262 -2.350 5.857) 7.104 3.482 ( -10.748 -1.603 -9.649) 14.533 3.796 ( 0.183 4.840 0.485) 4.867 3.926 ( 0.822 15.216 -5.680) 16.263 4.220 ( 2.812 6.143 -0.591) 6.781 4.262 ( -1.003 10.029 0.849) 10.115 4.343 ( -1.424 7.644 -1.668) 7.952 4.438 ( -2.421 -10.907 0.448) 11.182 4.772 ( 0.178 11.400 -6.145) 12.952 4.805 ( 5.534 7.181 2.538) 9.415 5.069 ( 0.539 2.347 -0.810) 2.540 5.313 ( -3.972 4.030 6.338) 8.496 5.339 ( 6.008 7.271 7.663) 12.153 5.540 ( 3.310 -0.135 -7.021) 7.763 5.573 ( 0.001 2.237 1.109) 2.497 5.705 ( 0.282 -5.125 3.105) 5.999 5.909 ( -10.932 -6.395 -5.496) 13.806 6.103 ( 7.100 -4.983 -1.001) 8.732 6.493 ( -0.877 -3.844 0.589) 3.986 6.635 ( 1.625 1.469 -2.087) 3.026 6.895 ( -5.281 -0.190 -3.813) 6.516 7.155 ( 4.286 -5.999 1.964) 7.630 7.418 ( 4.721 -0.783 -1.908) 5.151 7.720 ( -5.345 1.557 6.644) 8.669 8.058 ( -1.504 5.823 2.425) 6.484 8.503 ( 2.490 -1.226 0.723) 2.868 8.634 ( 8.740 -0.684 0.915) 8.814 8.768 ( -2.193 1.186 -5.272) 5.832 9.014 ( -6.435 4.878 -0.606) 8.098 9.473 ( 0.102 7.143 1.639) 7.329 10.048 ( 2.806 -1.154 0.032) 3.034 10.267 ( -2.226 -1.610 1.610) 3.185 10.752 ( 0.783 7.073 -3.142) 7.778 10.912 ( -1.337 7.977 1.733) 8.271 11.040 ( 1.495 0.531 0.358) 1.626 11.130 ( 0.121 -0.775 -5.698) 5.752 11.468 ( -1.477 -3.356 -0.385) 3.687 11.483 ( 1.513 -6.373 -2.876) 7.154 12.469 ( -4.484 -5.418 5.032) 8.648 12.989 ( 0.591 -1.465 1.575) 2.231 13.723 ( 4.625 3.823 1.321) 6.144 13.961 ( -2.085 -2.304 -0.429) 3.137 15.327 ( -1.078 -0.175 1.241) 1.653 15.436 ( -1.956 -4.166 -1.276) 4.776 15.639 ( 0.338 1.413 1.205) 1.888 15.789 ( 0.787 0.002 -1.723) 1.894 16.042 ( -4.391 -5.688 0.945) 7.247 16.152 ( 0.254 1.647 -1.345) 2.141 16.358 ( 5.019 -2.171 -1.585) 5.694 16.548 ( -2.345 3.762 4.195) 6.104 17.700 ( -1.519 1.691 1.329) 2.633 17.896 ( -2.280 2.524 -2.442) 4.187 18.180 ( 1.719 0.769 -1.416) 2.356 18.461 ( 6.009 1.087 -5.409) 8.158 19.025 ( -8.420 2.933 2.739) 9.327 19.166 ( -5.144 -3.521 -0.303) 6.241 19.842 ( 10.805 1.602 2.016) 11.107 21.423 ( 0.734 -1.858 3.229) 3.797 27.738 ( -0.612 -0.293 -1.087) 1.281 28.710 ( 1.400 -1.391 3.077) 3.656 29.641 ( -1.585 2.187 1.132) 2.929 29.728 ( -5.411 -1.817 -1.483) 5.898 29.989 ( 5.936 -0.283 -3.107) 6.705 30.131 ( 1.165 1.268 -2.228) 2.816 30.229 ( -1.143 -5.509 2.432) 6.129 30.266 ( 2.095 -2.432 1.086) 3.389 30.797 ( 0.327 0.908 1.798) 2.041 30.919 ( -0.977 -3.320 -1.121) 3.638 31.671 ( 3.262 -0.516 -2.904) 4.398 32.005 ( -6.167 -1.949 6.785) 9.374 33.038 ( -2.149 0.399 -1.224) 2.505 34.265 ( 2.400 9.499 -0.309) 9.802 35.132 ( 7.222 3.236 7.470) 10.882 36.323 ( -8.453 3.869 -16.929) 19.313 ======================= Grid point 123 (56/160) ======================= q-point: ( 0.44 0.44 -0.86) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 2.155 -0.000 -4.137) 4.664 1.944 ( 0.659 -0.000 -3.044) 3.114 2.167 ( 8.139 -0.000 -3.298) 8.782 2.169 ( 1.701 -0.000 0.698) 1.838 2.631 ( 1.103 -0.000 -3.774) 3.932 2.707 ( -7.170 0.000 -14.809) 16.454 2.773 ( -3.190 0.000 3.623) 4.827 2.928 ( 9.529 -0.000 -6.162) 11.348 3.002 ( 2.842 -0.000 7.698) 8.205 3.366 ( -3.631 0.000 16.914) 17.299 3.412 ( -1.141 0.000 -0.579) 1.280 3.767 ( 2.238 -0.000 3.361) 4.038 4.105 ( -3.512 0.000 -4.111) 5.407 4.130 ( -5.057 0.000 -5.834) 7.721 4.590 ( 3.807 -0.000 0.068) 3.807 4.913 ( 1.206 -0.000 0.168) 1.218 5.456 ( 8.477 -0.000 6.965) 10.971 5.537 ( -2.454 0.000 0.856) 2.599 5.750 ( -4.058 0.000 -0.524) 4.092 5.942 ( -3.441 0.000 1.265) 3.666 6.219 ( 4.791 -0.000 -5.085) 6.986 6.311 ( -3.445 0.000 -0.272) 3.456 6.769 ( -6.741 0.000 4.222) 7.954 6.910 ( 0.489 -0.000 -0.400) 0.632 7.170 ( 2.434 -0.000 -4.312) 4.952 7.453 ( -2.102 0.000 2.518) 3.280 7.784 ( 2.762 -0.000 0.761) 2.865 7.846 ( -0.067 0.000 1.139) 1.141 8.093 ( 1.751 -0.000 2.895) 3.383 8.154 ( 0.920 -0.000 -1.604) 1.849 8.638 ( -0.991 0.000 -1.528) 1.821 8.798 ( 6.247 -0.000 -3.027) 6.941 8.909 ( 2.069 -0.000 -0.540) 2.138 9.137 ( -6.307 0.000 4.124) 7.536 9.256 ( -0.850 0.000 -1.843) 2.029 9.451 ( 0.424 -0.000 2.308) 2.346 9.736 ( -0.061 0.000 -0.173) 0.184 10.155 ( 1.031 -0.000 0.863) 1.344 10.500 ( -0.150 0.000 0.876) 0.889 11.348 ( -0.902 0.000 -0.975) 1.328 11.487 ( 0.107 -0.000 -0.656) 0.665 12.000 ( 0.685 -0.000 -1.099) 1.295 12.559 ( -2.642 0.000 1.421) 3.000 13.037 ( -2.292 0.000 -6.479) 6.873 13.899 ( 1.243 -0.000 -0.317) 1.283 13.976 ( -0.201 0.000 1.746) 1.758 15.399 ( -1.230 0.000 -1.048) 1.616 15.557 ( -1.917 0.000 0.732) 2.052 15.774 ( -0.026 0.000 0.341) 0.342 15.993 ( -2.211 0.000 -1.281) 2.556 16.014 ( 1.217 -0.000 2.047) 2.382 16.102 ( 3.576 -0.000 -8.892) 9.584 16.317 ( -0.879 0.000 2.836) 2.969 16.662 ( 0.925 -0.000 -0.622) 1.115 17.898 ( 3.395 -0.000 0.978) 3.533 18.019 ( -1.399 0.000 1.240) 1.869 18.147 ( 0.112 -0.000 2.694) 2.696 18.546 ( 1.097 -0.000 -1.766) 2.079 19.251 ( 12.606 -0.000 -1.304) 12.673 19.569 ( -16.739 0.000 3.716) 17.147 19.701 ( 2.039 -0.000 3.951) 4.446 21.555 ( 0.109 -0.000 -1.858) 1.861 27.987 ( 1.703 -0.000 -1.083) 2.018 28.685 ( 0.572 -0.000 -3.366) 3.414 29.568 ( -1.617 0.000 3.389) 3.755 29.786 ( 0.201 -0.000 0.909) 0.931 29.955 ( 0.634 -0.000 1.342) 1.484 30.125 ( -0.340 0.000 0.159) 0.375 30.239 ( 0.102 -0.000 -0.447) 0.458 30.781 ( -0.494 0.000 -0.931) 1.053 30.986 ( 2.241 -0.000 -1.206) 2.545 31.091 ( -0.439 0.000 -0.435) 0.619 31.891 ( 6.734 -0.000 -10.886) 12.800 32.518 ( -0.359 0.000 0.134) 0.383 32.679 ( 0.379 -0.000 -0.571) 0.685 32.698 ( -2.472 0.000 9.720) 10.029 33.040 ( -4.334 0.000 5.626) 7.102 35.979 ( -1.992 0.000 -3.115) 3.697 ======================= Grid point 124 (57/160) ======================= q-point: (-0.44 -0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 4.692 -34.020 -6.327) 34.920 2.222 ( 9.089 -3.628 2.515) 10.105 2.292 ( -9.016 -31.064 -7.776) 33.268 2.509 ( -1.547 -21.765 -5.115) 22.412 2.618 ( -1.687 -23.500 -6.247) 24.375 2.800 ( 2.143 -11.702 -8.227) 14.464 2.886 ( -1.884 -14.644 4.629) 15.473 3.021 ( -4.257 -24.992 -2.003) 25.430 3.185 ( 7.179 -5.043 11.224) 14.246 3.468 ( 1.831 0.378 16.924) 17.027 3.539 ( 0.198 -15.405 -1.605) 15.489 3.857 ( -3.030 -8.357 0.848) 8.930 4.009 ( -11.124 -3.583 -12.699) 17.258 4.198 ( 6.209 -11.966 -2.210) 13.661 4.640 ( 3.880 -0.903 1.563) 4.279 4.930 ( 3.536 1.970 1.893) 4.469 5.421 ( -8.892 4.582 3.177) 10.495 5.576 ( 1.710 -1.894 3.353) 4.213 5.785 ( 4.737 -0.689 3.464) 5.909 5.864 ( -2.260 5.415 -1.421) 6.037 6.262 ( 2.212 0.301 -2.741) 3.535 6.290 ( 3.764 -1.995 -2.227) 4.807 6.713 ( -5.024 3.853 3.959) 7.467 6.818 ( -1.655 8.591 -1.075) 8.815 7.037 ( 0.088 12.954 -0.758) 12.977 7.402 ( 1.283 5.337 -3.349) 6.430 7.750 ( 1.431 4.648 -1.121) 4.991 7.820 ( -2.232 3.154 4.866) 6.213 8.198 ( 0.851 -4.631 1.398) 4.911 8.223 ( 3.562 -5.021 1.959) 6.461 8.478 ( -0.334 8.745 0.479) 8.765 8.900 ( 1.765 0.955 -0.627) 2.102 8.972 ( 3.253 -9.669 -2.616) 10.531 9.196 ( -4.412 -5.591 1.522) 7.283 9.246 ( -2.959 -6.942 -2.399) 7.919 9.699 ( 3.059 -21.582 4.430) 22.244 9.882 ( 0.917 -15.913 1.671) 16.027 10.194 ( -0.830 -4.235 0.335) 4.329 10.560 ( 2.176 -3.588 3.487) 5.456 11.276 ( -6.369 0.438 -5.948) 8.725 11.499 ( 4.616 2.817 2.071) 5.790 11.949 ( 0.017 5.106 -1.549) 5.336 12.531 ( -3.345 0.761 -0.525) 3.470 12.988 ( 1.326 -0.849 -7.833) 7.990 13.899 ( 0.453 0.780 0.015) 0.902 13.965 ( -0.946 1.578 1.063) 2.125 15.379 ( -0.799 0.197 -1.678) 1.869 15.519 ( -2.684 1.859 -1.269) 3.502 15.781 ( 0.406 -0.133 0.926) 1.019 15.917 ( -1.967 3.629 -2.682) 4.923 16.018 ( 2.588 3.967 3.091) 5.656 16.099 ( 3.263 -2.610 -7.603) 8.676 16.354 ( 0.903 -1.389 2.414) 2.927 16.664 ( -0.312 -0.531 -0.625) 0.877 17.910 ( -1.422 -0.026 0.591) 1.540 18.013 ( 2.920 3.920 3.478) 5.999 18.157 ( -1.704 0.391 3.280) 3.717 18.525 ( 1.014 1.111 -3.413) 3.730 19.289 ( 4.937 2.053 -4.184) 6.789 19.427 ( -17.450 1.437 1.606) 17.582 19.767 ( 8.323 3.493 10.317) 13.709 21.526 ( 2.178 3.092 -1.436) 4.045 27.970 ( 1.536 2.740 -1.144) 3.343 28.677 ( 3.483 0.901 -2.003) 4.117 29.580 ( -1.763 -0.149 3.500) 3.921 29.708 ( 0.858 6.383 2.207) 6.808 29.975 ( 1.843 0.504 2.348) 3.027 30.193 ( 0.593 3.950 -0.749) 4.064 30.332 ( -0.030 -15.080 1.631) 15.168 30.764 ( -2.460 -0.122 -3.173) 4.017 30.916 ( -1.140 4.974 -2.544) 5.702 31.090 ( 4.129 4.159 1.738) 6.113 31.848 ( 6.498 -0.034 -7.469) 9.900 32.204 ( -1.778 17.666 -3.251) 18.050 32.470 ( -2.840 11.848 6.045) 13.600 33.251 ( 2.050 -34.988 9.655) 36.353 33.380 ( -1.646 -28.029 4.374) 28.416 35.947 ( -7.060 -6.907 -10.448) 14.378 ======================= Grid point 125 (58/160) ======================= q-point: (-0.33 -0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( -7.334 -2.470 -16.107) 17.870 2.346 ( 10.626 2.030 10.079) 14.786 2.555 ( 1.850 -5.736 -4.662) 7.620 2.873 ( -4.471 -28.461 -2.104) 28.886 3.053 ( -4.103 -17.991 -0.102) 18.454 3.110 ( -3.077 -30.390 -6.597) 31.250 3.268 ( 1.206 -8.978 7.057) 11.483 3.445 ( -3.625 -38.590 2.607) 38.848 3.615 ( -1.317 -27.562 0.364) 27.596 3.632 ( 1.281 -7.199 13.395) 15.261 3.833 ( 0.772 -11.489 -8.949) 14.583 4.026 ( 1.386 -27.971 -6.270) 28.699 4.097 ( -7.571 -23.356 0.271) 24.554 4.532 ( 9.552 -19.952 -1.303) 22.159 4.711 ( 0.261 -4.685 1.999) 5.101 4.901 ( 1.861 4.114 -1.364) 4.717 5.337 ( -3.503 3.192 8.927) 10.107 5.605 ( -4.590 4.095 1.052) 6.241 5.718 ( 2.625 3.326 0.164) 4.240 5.872 ( 5.263 0.726 -0.703) 5.359 6.213 ( -1.207 4.489 -1.447) 4.869 6.307 ( 2.021 2.605 -3.229) 4.615 6.588 ( 0.655 13.918 3.196) 14.295 6.681 ( -4.438 1.481 0.782) 4.743 6.834 ( 3.712 8.682 2.438) 9.752 7.268 ( 2.254 7.177 -7.646) 10.727 7.625 ( 1.084 8.210 -4.112) 9.246 7.796 ( -4.860 1.817 6.387) 8.229 8.210 ( -1.726 0.313 -2.527) 3.076 8.349 ( 3.628 -3.858 2.846) 6.012 8.472 ( 3.216 -1.640 6.298) 7.259 8.864 ( -0.054 2.020 -3.918) 4.409 9.061 ( -4.951 -4.575 -3.518) 7.604 9.268 ( -3.995 -9.049 0.391) 9.899 9.469 ( 3.424 -15.885 0.423) 16.256 10.108 ( 3.291 -14.122 3.102) 14.828 10.223 ( 0.016 -14.752 2.235) 14.920 10.386 ( 2.882 -22.615 5.578) 23.471 10.688 ( 2.381 -6.038 4.343) 7.809 11.185 ( -5.533 -1.213 -5.643) 7.996 11.473 ( 3.919 5.701 0.780) 6.962 11.813 ( -0.390 9.085 -1.667) 9.245 12.477 ( -2.843 1.098 -2.349) 3.847 12.968 ( 2.864 -0.996 -7.047) 7.671 13.881 ( -0.209 1.675 0.615) 1.797 13.934 ( -0.633 1.586 0.218) 1.721 15.355 ( -0.820 0.324 -1.739) 1.949 15.448 ( -1.667 2.355 -2.166) 3.608 15.777 ( -1.332 2.674 -0.419) 3.017 15.837 ( -0.210 0.886 -0.752) 1.181 15.978 ( 2.752 5.701 3.251) 7.117 16.118 ( 2.660 -3.041 -7.016) 8.096 16.387 ( 1.331 0.057 -0.578) 1.452 16.663 ( -1.374 0.243 1.450) 2.012 17.892 ( -2.722 1.632 1.651) 3.577 17.967 ( -0.171 4.569 1.732) 4.889 18.164 ( -1.869 -0.174 3.351) 3.841 18.491 ( 2.962 0.880 -4.412) 5.386 19.204 ( -8.015 2.531 -1.858) 8.608 19.295 ( -7.881 2.807 -0.342) 8.373 19.858 ( 10.556 4.468 11.175) 16.008 21.471 ( 2.521 3.915 -1.889) 5.025 27.902 ( 0.421 4.711 -2.064) 5.160 28.677 ( 3.546 0.896 -1.505) 3.955 29.597 ( -0.596 -0.690 2.344) 2.515 29.665 ( -1.473 1.135 3.126) 3.637 30.002 ( 2.537 -0.009 1.292) 2.847 30.115 ( 0.343 4.596 0.387) 4.625 30.470 ( 1.095 2.248 -0.259) 2.513 30.657 ( -2.708 6.914 -5.249) 9.094 30.822 ( -0.077 3.030 -0.716) 3.115 31.035 ( 2.547 6.010 0.991) 6.602 31.920 ( -4.712 3.705 -2.403) 6.458 32.017 ( 8.744 -5.599 -1.413) 10.478 32.349 ( -2.125 0.482 3.747) 4.335 33.829 ( -1.536 -21.255 12.812) 24.865 34.031 ( 8.386 -39.723 5.924) 41.028 35.963 ( -9.355 -14.187 -15.152) 22.768 ======================= Grid point 126 (59/160) ======================= q-point: (-0.22 -0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( -7.269 -4.421 -14.562) 16.865 2.397 ( 1.267 6.025 9.740) 11.523 2.632 ( 10.608 2.030 7.779) 13.310 3.099 ( -9.371 -8.023 -3.726) 12.887 3.290 ( -6.179 -13.268 -4.265) 15.245 3.375 ( -0.255 -7.739 1.430) 7.874 3.459 ( 0.439 -14.706 -2.641) 14.948 3.828 ( 0.180 -11.274 2.362) 11.521 3.981 ( -0.559 -21.413 2.078) 21.521 4.030 ( -1.719 -20.345 -1.015) 20.443 4.094 ( -3.831 -24.266 -2.243) 24.669 4.320 ( 0.997 -7.531 0.959) 7.657 4.636 ( 4.223 -29.817 -4.595) 30.463 4.799 ( 2.998 -1.238 -1.275) 3.485 4.873 ( -3.713 -13.169 0.961) 13.717 4.996 ( 5.164 -18.213 2.054) 19.042 5.338 ( 2.255 5.477 6.185) 8.564 5.481 ( -3.794 0.763 1.867) 4.297 5.721 ( 0.566 2.869 2.041) 3.566 5.828 ( -1.895 2.586 -5.179) 6.091 5.997 ( 0.141 15.637 -1.328) 15.694 6.328 ( -1.209 -0.874 2.666) 3.055 6.342 ( 2.557 12.276 2.263) 12.742 6.664 ( 0.736 -0.134 -0.220) 0.780 6.865 ( 4.743 -1.621 0.198) 5.016 7.104 ( 0.644 5.525 -5.513) 7.832 7.489 ( 3.923 5.202 -4.925) 8.167 7.758 ( -7.492 1.459 5.490) 9.402 8.174 ( -4.288 -0.093 -2.303) 4.868 8.442 ( 3.429 -1.686 3.091) 4.915 8.598 ( 7.445 -2.224 4.813) 9.140 8.785 ( -1.573 1.224 -6.907) 7.189 9.046 ( -7.724 -2.344 -1.471) 8.205 9.409 ( -5.085 -10.011 1.529) 11.332 9.776 ( 6.416 -14.163 0.290) 15.552 10.212 ( 1.407 -0.666 -1.105) 1.909 10.538 ( 0.792 -16.000 4.832) 16.732 10.777 ( 0.372 -10.276 3.195) 10.768 10.932 ( 5.221 -15.020 6.998) 17.373 11.154 ( -3.300 -1.997 -2.325) 4.504 11.393 ( 3.280 5.778 -1.027) 6.723 11.630 ( 0.052 10.245 -1.407) 10.342 12.422 ( -1.918 0.687 -2.665) 3.355 12.961 ( 2.196 -0.834 -4.699) 5.253 13.851 ( 0.959 2.715 0.803) 2.989 13.909 ( -1.470 0.157 -0.616) 1.602 15.333 ( -1.413 -0.200 -1.053) 1.773 15.395 ( 0.610 1.677 -1.709) 2.471 15.691 ( -1.815 3.070 -1.224) 3.770 15.850 ( -1.003 -0.560 1.412) 1.821 15.935 ( 2.477 3.692 2.779) 5.243 16.143 ( 1.943 -3.083 -5.704) 6.769 16.356 ( 1.318 2.022 -4.822) 5.392 16.654 ( -2.329 1.675 4.074) 4.983 17.807 ( -4.117 5.007 0.775) 6.529 17.926 ( -3.276 -0.079 0.527) 3.319 18.181 ( 0.017 -0.483 1.848) 1.910 18.487 ( 5.183 0.365 -3.391) 6.204 19.087 ( -9.918 1.266 -0.670) 10.021 19.188 ( -4.667 3.899 1.509) 6.266 19.935 ( 8.640 4.066 7.287) 12.012 21.422 ( 1.660 1.953 -1.676) 3.063 27.803 ( -0.691 4.147 -2.525) 4.904 28.685 ( 2.246 -0.123 -0.940) 2.438 29.631 ( -0.077 -1.863 1.351) 2.302 29.668 ( -3.564 -0.763 2.996) 4.718 30.024 ( 3.479 0.765 -1.640) 3.921 30.086 ( 0.690 -0.021 3.709) 3.773 30.332 ( 1.210 10.626 -2.999) 11.107 30.455 ( -1.394 9.215 -4.494) 10.347 30.798 ( 0.032 -0.096 -0.316) 0.332 30.959 ( 0.668 4.850 0.557) 4.927 31.775 ( -0.702 5.663 -3.108) 6.498 32.060 ( -3.087 4.417 4.969) 7.331 32.622 ( 5.669 -21.411 0.669) 22.159 34.187 ( -2.059 -13.273 8.450) 15.869 34.759 ( 12.368 -26.319 9.842) 30.701 36.051 ( -7.496 -16.689 -14.858) 23.569 ======================= Grid point 127 (60/160) ======================= q-point: (-0.11 -0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -1.120 -5.766 -12.355) 13.680 2.350 ( -1.343 8.062 11.472) 14.086 2.708 ( -0.089 0.353 2.981) 3.003 3.120 ( -2.055 -5.473 -0.364) 5.857 3.375 ( 0.062 -1.353 1.645) 2.131 3.395 ( -4.576 0.949 2.105) 5.126 3.711 ( 2.495 -12.178 -6.769) 14.155 4.047 ( -0.380 -9.648 3.397) 10.236 4.167 ( 2.695 -0.602 -6.384) 6.956 4.268 ( 0.582 -10.089 1.477) 10.213 4.309 ( -2.276 -3.862 1.243) 4.652 4.400 ( 0.458 -2.320 0.217) 2.375 4.845 ( 0.628 -4.041 1.183) 4.257 4.858 ( 1.627 1.082 -5.490) 5.827 5.138 ( -3.573 -13.219 0.185) 13.694 5.177 ( 0.362 -0.457 4.702) 4.738 5.414 ( 6.594 -6.902 -0.780) 9.577 5.496 ( -5.615 -3.099 -3.108) 7.127 5.700 ( -1.638 5.082 -4.457) 6.956 5.702 ( -2.501 3.508 4.658) 6.345 5.772 ( 0.848 6.163 2.972) 6.894 6.181 ( 3.718 7.031 1.682) 8.129 6.442 ( 0.910 -3.847 3.695) 5.411 6.679 ( 5.465 0.640 -0.963) 5.586 6.821 ( -5.329 1.174 -4.690) 7.196 7.116 ( 4.632 -3.092 0.756) 5.621 7.447 ( 5.594 1.053 -4.290) 7.128 7.718 ( -8.629 0.152 5.391) 10.176 8.104 ( -4.683 1.438 -0.901) 4.981 8.491 ( 2.758 -0.085 -4.349) 5.150 8.704 ( 5.474 -0.066 0.222) 5.479 8.738 ( 1.664 -1.086 -0.073) 1.989 9.001 ( -6.910 0.093 1.133) 7.003 9.509 ( -3.472 -3.787 1.126) 5.260 10.017 ( 4.981 -7.318 0.070) 8.852 10.215 ( 0.335 -0.906 -1.041) 1.420 10.768 ( 1.536 -4.088 3.499) 5.596 10.914 ( -2.465 -8.166 -1.913) 8.742 11.099 ( -1.848 4.038 -0.252) 4.448 11.136 ( 1.946 1.059 2.978) 3.711 11.390 ( 3.481 -1.734 0.474) 3.918 11.488 ( 1.248 4.676 -1.074) 4.957 12.400 ( -2.512 -2.110 -0.409) 3.306 12.971 ( 1.061 -1.701 -1.440) 2.468 13.822 ( 3.014 2.934 0.321) 4.218 13.895 ( -3.119 -1.547 -1.274) 3.708 15.329 ( -1.328 -0.937 0.491) 1.698 15.375 ( 1.015 0.266 -0.785) 1.311 15.652 ( -0.812 -0.027 -0.094) 0.818 15.836 ( 0.984 3.185 2.279) 4.038 15.946 ( -1.489 -1.867 1.264) 2.702 16.159 ( 0.587 -0.839 -2.411) 2.619 16.319 ( 3.808 -1.882 -6.588) 7.839 16.620 ( -3.655 3.153 4.401) 6.533 17.715 ( -3.325 1.978 -0.205) 3.875 17.901 ( -2.217 0.918 0.209) 2.409 18.200 ( 1.656 0.217 0.302) 1.697 18.498 ( 5.676 1.177 -2.992) 6.523 18.995 ( -7.774 0.468 -0.510) 7.805 19.135 ( -2.245 1.517 5.912) 6.504 19.957 ( 4.780 3.333 0.758) 5.876 21.413 ( 0.123 -0.881 -0.423) 0.985 27.735 ( -0.181 1.411 -1.321) 1.942 28.702 ( 0.319 -1.260 -0.669) 1.462 29.657 ( -2.598 -0.876 -0.955) 2.903 29.676 ( -1.280 -0.154 4.364) 4.550 30.028 ( 4.172 1.153 -1.636) 4.627 30.157 ( 0.240 -2.343 1.946) 3.055 30.169 ( 1.314 3.888 -1.430) 4.346 30.292 ( -0.427 4.885 -3.318) 5.920 30.809 ( -0.355 -1.330 -0.068) 1.378 30.899 ( 0.143 2.755 0.211) 2.767 31.684 ( 1.684 2.404 -3.413) 4.501 32.005 ( -5.517 1.962 6.385) 8.664 32.952 ( 3.128 -10.485 0.247) 10.945 34.348 ( -1.789 -1.730 4.228) 4.906 35.178 ( 5.135 -8.383 1.877) 10.008 36.164 ( 0.876 -8.350 -6.949) 10.899 ======================= Grid point 133 (61/160) ======================= q-point: (-0.44 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 5.592 -0.000 -3.019) 6.355 1.716 ( -12.593 0.000 -9.524) 15.789 2.214 ( -19.101 0.000 -11.131) 22.108 2.234 ( 0.720 -0.000 0.191) 0.745 2.507 ( 19.908 -0.000 4.948) 20.514 2.584 ( 0.101 -0.000 -5.533) 5.534 2.770 ( -1.410 0.000 -5.281) 5.466 2.801 ( 1.406 -0.000 5.832) 5.999 3.298 ( 0.487 -0.000 7.384) 7.400 3.380 ( 1.940 -0.000 -2.298) 3.007 3.624 ( 1.031 -0.000 13.619) 13.658 3.721 ( -10.357 0.000 0.374) 10.364 3.781 ( -8.418 0.000 -14.909) 17.121 4.167 ( 12.684 -0.000 -1.008) 12.724 4.645 ( -1.671 0.000 -0.383) 1.715 5.001 ( 3.748 -0.000 0.928) 3.861 5.373 ( -11.352 0.000 6.250) 12.959 5.639 ( 7.733 -0.000 6.040) 9.812 5.869 ( -2.619 0.000 0.791) 2.736 5.899 ( 8.997 -0.000 2.562) 9.355 6.193 ( -4.686 0.000 -5.984) 7.601 6.350 ( 12.808 -0.000 -4.124) 13.456 6.722 ( -6.474 0.000 5.863) 8.735 6.872 ( -2.682 0.000 -2.172) 3.451 7.144 ( 2.120 -0.000 -4.339) 4.829 7.458 ( -0.711 0.000 1.276) 1.460 7.777 ( -3.452 0.000 1.274) 3.680 7.892 ( -0.425 0.000 3.402) 3.429 8.127 ( -3.273 0.000 3.441) 4.749 8.263 ( 8.468 -0.000 4.312) 9.503 8.600 ( 0.850 -0.000 -4.031) 4.119 8.817 ( -0.571 0.000 -2.044) 2.122 8.980 ( 3.966 -0.000 3.636) 5.381 9.111 ( -1.442 0.000 2.974) 3.306 9.146 ( -4.296 0.000 -7.089) 8.289 9.528 ( 1.361 -0.000 5.417) 5.585 9.757 ( 1.767 -0.000 0.938) 2.001 10.147 ( -2.403 0.000 -0.273) 2.419 10.596 ( 5.232 -0.000 6.053) 8.001 11.170 ( -7.572 0.000 -7.580) 10.714 11.575 ( 4.506 -0.000 1.436) 4.729 11.976 ( -0.758 0.000 -2.048) 2.184 12.496 ( -2.754 0.000 -3.589) 4.524 12.941 ( 3.556 -0.000 -8.182) 8.921 13.909 ( -0.152 0.000 0.475) 0.499 13.970 ( -2.226 0.000 0.605) 2.307 15.361 ( -0.985 0.000 -1.911) 2.150 15.503 ( -2.321 0.000 -1.604) 2.822 15.798 ( 1.314 -0.000 1.510) 2.002 15.916 ( -2.549 0.000 -1.922) 3.192 16.039 ( 4.108 -0.000 -9.513) 10.362 16.097 ( 2.663 -0.000 2.727) 3.812 16.382 ( 2.873 -0.000 3.233) 4.326 16.640 ( -1.499 0.000 -1.531) 2.142 17.899 ( -3.241 0.000 1.631) 3.628 18.102 ( 2.513 -0.000 3.938) 4.672 18.167 ( -2.752 0.000 3.514) 4.464 18.518 ( 0.919 -0.000 -3.547) 3.664 19.273 ( -12.552 0.000 -1.124) 12.602 19.344 ( -0.761 0.000 -2.052) 2.189 19.970 ( 10.619 -0.000 14.465) 17.944 21.561 ( 3.282 -0.000 -3.067) 4.492 28.012 ( 3.286 -0.000 -0.567) 3.335 28.702 ( 4.884 -0.000 -3.360) 5.928 29.594 ( -1.609 0.000 4.175) 4.474 29.874 ( 3.337 -0.000 6.708) 7.492 30.028 ( 2.817 -0.000 4.294) 5.136 30.129 ( 0.270 -0.000 0.329) 0.426 30.229 ( -0.075 0.000 -0.868) 0.871 30.716 ( -2.458 0.000 -3.521) 4.294 30.912 ( -3.309 0.000 -2.426) 4.103 31.195 ( 6.266 -0.000 2.214) 6.646 31.863 ( 8.689 -0.000 -10.183) 13.386 32.519 ( 0.229 -0.000 0.212) 0.312 32.669 ( -0.164 0.000 -0.965) 0.978 32.682 ( -1.725 0.000 -3.212) 3.646 33.225 ( -4.142 0.000 25.665) 25.997 35.704 ( -12.197 0.000 -17.403) 21.252 ======================= Grid point 134 (62/160) ======================= q-point: (-0.33 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -10.206 -11.169 -16.002) 22.022 2.012 ( -5.253 -43.102 -1.953) 43.465 2.128 ( -14.625 -29.052 -6.450) 33.159 2.549 ( -0.909 -29.183 1.511) 29.237 2.646 ( 8.101 -5.384 -3.332) 10.282 2.816 ( -0.875 -7.782 5.347) 9.483 2.879 ( 7.358 -21.507 5.614) 23.414 3.059 ( 2.629 -20.999 3.562) 21.460 3.245 ( -10.658 -6.670 -9.754) 15.913 3.523 ( -2.090 -11.475 -5.477) 12.886 3.608 ( 1.166 -6.494 -0.079) 6.599 3.694 ( -8.656 -5.378 1.285) 10.271 3.855 ( 5.901 -6.552 8.397) 12.176 4.357 ( 12.775 -10.452 -1.539) 16.577 4.617 ( -8.459 -2.688 -0.912) 8.922 4.979 ( 1.452 3.589 -1.750) 4.249 5.401 ( 0.468 0.104 10.959) 10.970 5.713 ( 2.849 5.940 3.604) 7.509 5.814 ( 2.276 2.430 2.687) 4.278 5.961 ( 6.991 3.867 -0.222) 7.992 6.153 ( -1.899 -3.632 -3.732) 5.544 6.376 ( 7.438 2.529 -8.241) 11.386 6.709 ( -3.852 2.689 7.044) 8.467 6.768 ( -2.847 6.470 0.028) 7.069 7.042 ( 2.178 9.249 -1.386) 9.603 7.377 ( 2.298 8.396 -4.454) 9.778 7.727 ( -3.053 4.895 1.264) 5.905 7.833 ( -5.346 4.022 4.111) 7.852 8.189 ( -3.419 -1.853 -0.150) 3.892 8.354 ( 5.339 0.173 3.600) 6.442 8.509 ( 2.503 0.450 1.555) 2.981 8.891 ( -6.172 -7.378 -2.078) 9.841 8.936 ( 0.817 8.165 0.530) 8.223 9.079 ( -4.812 -5.454 -6.809) 9.964 9.260 ( 4.513 -12.545 2.162) 13.506 9.865 ( 4.484 -19.757 7.529) 21.614 9.952 ( 4.127 -23.563 4.081) 24.267 10.155 ( -2.914 -4.850 -0.854) 5.723 10.709 ( 5.503 -1.473 7.271) 9.237 11.064 ( -6.368 -1.428 -7.331) 9.815 11.584 ( 3.305 3.416 -0.036) 4.753 11.910 ( -1.371 4.743 -2.285) 5.440 12.441 ( -1.020 0.310 -6.090) 6.182 12.923 ( 3.388 -0.978 -7.158) 7.980 13.900 ( -1.592 0.939 0.904) 2.057 13.948 ( -1.358 0.802 -0.101) 1.580 15.331 ( -2.503 0.095 -2.170) 3.314 15.470 ( 0.822 1.739 -0.783) 2.077 15.815 ( 1.213 1.394 1.696) 2.508 15.854 ( -1.326 2.573 -2.145) 3.603 16.028 ( 2.803 -2.947 -9.014) 9.890 16.106 ( 2.785 3.488 2.522) 5.127 16.413 ( 2.473 1.444 0.274) 2.877 16.635 ( -2.233 -2.079 -0.134) 3.054 17.882 ( -4.686 -0.038 2.479) 5.301 18.075 ( -1.776 5.854 0.785) 6.168 18.175 ( -1.852 0.147 4.157) 4.553 18.501 ( 2.640 0.506 -2.370) 3.584 19.151 ( -12.190 1.557 1.776) 12.417 19.313 ( 1.040 2.832 -2.310) 3.799 20.122 ( 10.008 5.454 15.050) 18.878 21.528 ( 2.788 3.090 -5.414) 6.828 27.991 ( 3.322 5.209 -1.385) 6.332 28.701 ( 4.013 0.799 -4.616) 6.169 29.612 ( -0.225 0.259 3.210) 3.228 29.774 ( -0.554 9.947 5.261) 11.266 30.056 ( 2.959 1.757 2.548) 4.282 30.187 ( -0.168 3.455 -0.274) 3.470 30.392 ( 2.532 -14.358 3.052) 14.895 30.665 ( -2.311 1.526 -3.147) 4.192 30.854 ( -2.622 1.760 -1.456) 3.478 31.189 ( 5.143 7.314 0.127) 8.942 31.853 ( 7.093 -0.647 -8.839) 11.352 32.146 ( 1.012 14.823 -2.119) 15.008 32.492 ( -2.891 11.641 3.652) 12.538 33.337 ( 8.086 -43.871 -4.727) 44.860 33.624 ( -4.261 -23.768 31.798) 39.927 35.527 ( -14.164 -9.569 -21.256) 27.276 ======================= Grid point 135 (63/160) ======================= q-point: (-0.22 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -15.828 -7.060 -13.596) 22.028 2.415 ( -3.666 -13.261 -3.112) 14.106 2.615 ( -11.447 -10.302 -5.185) 16.250 2.844 ( 1.594 -28.851 -1.002) 28.913 2.936 ( 0.889 -7.942 8.867) 11.937 3.085 ( 1.579 -17.578 -0.768) 17.665 3.260 ( -7.365 -30.384 -3.369) 31.445 3.429 ( -2.442 -30.791 -2.022) 30.954 3.560 ( -2.135 -11.007 0.881) 11.246 3.635 ( 2.553 -25.531 -0.829) 25.671 3.777 ( -5.035 -7.458 5.531) 10.562 4.067 ( 8.560 -34.960 -3.337) 36.147 4.146 ( 5.519 -15.595 6.039) 17.611 4.602 ( -8.245 -9.222 -0.928) 12.406 4.700 ( 9.710 -16.507 -2.219) 19.279 4.917 ( 2.846 4.173 -0.167) 5.054 5.470 ( -0.148 1.511 7.607) 7.757 5.553 ( -2.627 10.971 0.851) 11.314 5.796 ( 0.303 5.151 -3.156) 6.048 5.916 ( 6.371 6.253 1.414) 9.038 6.170 ( -1.558 3.795 -0.177) 4.106 6.308 ( 3.980 1.179 -1.660) 4.470 6.581 ( -2.977 8.838 2.106) 9.561 6.721 ( 2.341 4.118 3.516) 5.899 6.939 ( 4.544 5.975 0.724) 7.542 7.190 ( 2.135 8.544 -6.670) 11.047 7.585 ( 0.271 7.723 -3.228) 8.375 7.751 ( -8.789 2.258 3.368) 9.680 8.122 ( -5.369 1.341 -2.195) 5.953 8.440 ( 1.968 -3.526 1.678) 4.373 8.627 ( 4.893 -4.566 4.102) 7.849 8.791 ( -0.626 5.449 -4.319) 6.981 8.917 ( -7.914 -4.028 0.166) 8.881 9.165 ( -5.028 -12.213 -3.347) 13.625 9.576 ( 6.619 -16.013 1.716) 17.412 10.170 ( -1.049 -3.673 -0.464) 3.848 10.227 ( -0.160 -20.541 2.375) 20.678 10.658 ( 12.477 -25.942 13.970) 31.997 10.809 ( 3.070 -3.823 4.082) 6.380 11.044 ( -1.686 -4.873 -2.652) 5.798 11.513 ( 1.777 6.483 -1.717) 6.938 11.773 ( -1.084 7.865 -2.110) 8.215 12.385 ( 0.228 0.142 -7.322) 7.327 12.921 ( 2.043 -1.419 -5.278) 5.835 13.864 ( -3.996 1.044 0.280) 4.140 13.925 ( 1.055 1.384 -0.749) 1.895 15.296 ( -2.611 -0.402 -1.425) 3.002 15.452 ( 3.982 2.447 -0.030) 4.674 15.737 ( -1.591 5.145 -1.465) 5.581 15.844 ( -0.018 -0.175 1.773) 1.782 16.043 ( 1.854 -3.438 -7.850) 8.769 16.073 ( 3.246 4.791 2.622) 6.353 16.371 ( 0.609 2.845 -4.234) 5.138 16.657 ( -2.917 -1.366 2.092) 3.841 17.848 ( -6.266 2.590 1.752) 7.003 17.927 ( -4.105 5.002 -0.730) 6.512 18.192 ( -0.093 -0.168 2.858) 2.864 18.516 ( 3.948 0.133 -0.201) 3.956 19.050 ( -7.446 2.586 1.125) 7.962 19.245 ( -1.524 3.886 2.241) 4.738 20.149 ( 4.429 8.731 9.080) 13.353 21.446 ( 1.223 2.707 -5.718) 6.444 27.878 ( 0.844 7.170 -3.086) 7.852 28.683 ( 1.871 0.163 -4.049) 4.463 29.625 ( 1.552 0.432 0.023) 1.611 29.689 ( -3.612 2.672 6.009) 7.503 30.056 ( 2.884 1.608 -0.296) 3.315 30.139 ( 0.231 2.432 2.103) 3.224 30.475 ( 0.244 5.596 -1.440) 5.784 30.553 ( -2.117 7.442 -3.044) 8.314 30.811 ( -0.312 1.182 -0.278) 1.254 31.071 ( 2.215 7.681 -1.730) 8.179 31.807 ( -2.984 2.250 -4.311) 5.706 32.151 ( 5.352 0.378 2.473) 5.907 32.397 ( 4.078 -6.715 2.169) 8.151 33.928 ( -0.710 -23.003 6.438) 23.898 34.424 ( 12.073 -35.371 17.944) 41.459 35.548 ( -7.896 -22.027 -15.338) 27.979 ======================= Grid point 136 (64/160) ======================= q-point: (-0.11 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -8.381 -11.809 -10.219) 17.724 2.401 ( -25.810 -7.366 -20.545) 33.801 2.545 ( 2.099 2.107 11.413) 11.794 3.139 ( 6.145 -5.514 10.319) 13.216 3.315 ( 1.066 -12.390 2.358) 12.657 3.402 ( 2.395 -19.908 -2.191) 20.170 3.418 ( 0.397 -0.875 2.877) 3.034 3.814 ( -1.152 -18.190 -3.866) 18.632 3.955 ( -5.886 -24.791 2.525) 25.605 4.002 ( 1.949 -15.841 -2.013) 16.086 4.029 ( -0.959 -23.854 1.903) 23.949 4.425 ( 6.758 -5.563 2.365) 9.067 4.686 ( 6.765 -27.223 -2.140) 28.132 4.753 ( -7.583 -14.144 0.544) 16.058 4.826 ( 1.170 0.538 -2.108) 2.471 5.106 ( 5.548 -16.492 -1.027) 17.431 5.358 ( -4.609 7.636 -0.547) 8.936 5.449 ( -4.254 0.056 -0.106) 4.256 5.683 ( -0.109 3.526 -1.458) 3.817 5.831 ( 1.373 8.722 -3.265) 9.413 6.008 ( -0.326 11.589 7.305) 13.703 6.344 ( -0.941 4.535 1.961) 5.030 6.498 ( 8.780 3.886 7.868) 12.413 6.698 ( 2.112 1.459 -3.911) 4.678 6.818 ( -3.054 5.007 -1.267) 6.000 7.142 ( 7.251 0.451 -2.109) 7.565 7.473 ( 2.727 2.741 -5.933) 7.081 7.679 ( -9.270 0.245 4.049) 10.119 8.042 ( -7.215 -0.351 -2.153) 7.538 8.474 ( 0.403 0.088 -5.672) 5.687 8.703 ( -0.207 0.136 -2.154) 2.168 8.774 ( 7.110 -2.003 2.587) 7.827 8.931 ( -6.795 -3.782 4.477) 8.973 9.323 ( -4.485 -12.438 -1.909) 13.359 9.887 ( 5.550 -12.584 0.868) 13.781 10.207 ( 0.157 -1.782 -1.318) 2.222 10.587 ( -1.337 -19.746 2.073) 19.899 10.801 ( 0.127 -0.808 0.698) 1.075 11.104 ( -0.445 -1.473 0.117) 1.544 11.226 ( 9.869 -4.086 12.714) 16.606 11.412 ( 3.564 2.035 -2.061) 4.593 11.623 ( 1.782 7.771 -0.917) 8.025 12.338 ( -0.709 -1.004 -5.882) 6.009 12.930 ( 0.883 -1.958 -3.044) 3.726 13.809 ( -5.920 -0.157 -1.420) 6.090 13.908 ( 3.017 1.791 -1.022) 3.654 15.291 ( -0.981 -1.344 0.070) 1.665 15.440 ( 4.340 3.329 0.052) 5.470 15.651 ( -1.869 1.766 0.015) 2.571 15.866 ( -0.844 -0.545 3.386) 3.532 16.016 ( 3.053 4.480 0.656) 5.461 16.088 ( 1.416 -3.789 -3.654) 5.451 16.291 ( 0.908 1.806 -6.346) 6.660 16.646 ( -4.708 0.993 2.353) 5.356 17.718 ( -4.987 3.487 -1.445) 6.255 17.893 ( -2.060 -0.552 1.763) 2.767 18.217 ( 0.845 -0.207 1.753) 1.957 18.541 ( 3.352 0.599 -0.246) 3.414 18.960 ( -4.335 2.188 -0.073) 4.857 19.218 ( -0.704 2.530 8.231) 8.640 20.049 ( -2.794 6.807 -0.459) 7.373 21.392 ( -0.083 0.267 -3.456) 3.467 27.763 ( -0.179 3.524 -2.012) 4.061 28.669 ( -0.181 -0.799 -3.360) 3.458 29.626 ( 0.011 -0.486 -0.565) 0.746 29.699 ( -0.834 -0.180 5.337) 5.405 30.056 ( 2.439 0.437 -0.986) 2.667 30.145 ( 0.464 -0.693 2.696) 2.822 30.306 ( 0.782 10.475 -2.738) 10.855 30.368 ( -1.954 8.268 -3.643) 9.244 30.789 ( -0.888 0.479 -0.494) 1.123 30.972 ( 1.171 4.564 -0.600) 4.750 31.718 ( -0.272 3.138 -3.272) 4.541 32.077 ( -4.262 6.224 5.477) 9.322 32.758 ( 9.116 -17.754 1.024) 19.983 34.249 ( -4.211 -11.384 7.062) 14.043 34.956 ( -0.676 -17.389 -6.444) 18.557 35.965 ( 15.151 -22.389 5.662) 27.620 ======================= Grid point 143 (65/160) ======================= q-point: (-0.33 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -18.043 0.000 -10.417) 20.834 1.528 ( 2.101 -0.000 -3.567) 4.139 1.649 ( -29.012 0.000 -8.218) 30.153 2.186 ( -4.060 0.000 -2.454) 4.744 2.518 ( 1.030 -0.000 -2.549) 2.750 2.716 ( 3.181 -0.000 -6.563) 7.293 2.829 ( -22.019 0.000 -20.565) 30.129 2.974 ( 6.320 -0.000 7.099) 9.504 3.072 ( 9.433 -0.000 15.202) 17.891 3.432 ( 6.732 -0.000 -1.684) 6.940 3.551 ( -8.532 0.000 0.445) 8.544 3.587 ( 0.178 -0.000 1.859) 1.867 3.962 ( 8.288 -0.000 9.990) 12.980 4.350 ( 11.747 -0.000 -3.272) 12.194 4.502 ( -10.470 0.000 -0.746) 10.496 5.006 ( -0.414 0.000 0.668) 0.786 5.524 ( 7.830 -0.000 9.259) 12.126 5.818 ( -3.699 0.000 2.266) 4.338 5.870 ( 5.821 -0.000 1.310) 5.967 6.068 ( 3.759 -0.000 -0.923) 3.871 6.092 ( 8.628 -0.000 1.326) 8.729 6.377 ( 6.834 -0.000 -12.615) 14.347 6.769 ( -5.585 0.000 -2.371) 6.067 6.790 ( -0.437 0.000 10.167) 10.176 7.114 ( 1.776 -0.000 -4.038) 4.411 7.448 ( -0.920 0.000 -1.877) 2.090 7.759 ( -4.200 0.000 6.059) 7.372 7.892 ( -4.600 0.000 2.408) 5.192 8.090 ( -6.897 0.000 3.076) 7.551 8.481 ( 7.893 -0.000 3.534) 8.648 8.542 ( 0.459 -0.000 -5.303) 5.323 8.716 ( -7.025 0.000 -2.109) 7.335 8.929 ( -4.143 0.000 -9.373) 10.248 9.141 ( 4.590 -0.000 6.744) 8.158 9.196 ( 4.554 -0.000 4.234) 6.218 9.623 ( 1.174 -0.000 4.058) 4.224 9.810 ( 2.013 -0.000 1.183) 2.335 10.090 ( -3.126 0.000 -0.198) 3.132 10.804 ( 4.641 -0.000 6.879) 8.298 10.949 ( -3.823 0.000 -5.816) 6.959 11.633 ( 2.450 -0.000 -1.285) 2.766 11.916 ( -2.553 0.000 -2.545) 3.605 12.387 ( 1.128 -0.000 -9.332) 9.400 12.891 ( 2.557 -0.000 -5.972) 6.496 13.892 ( -4.268 0.000 0.863) 4.354 13.947 ( 0.127 -0.000 -0.125) 0.179 15.293 ( -3.164 0.000 -1.491) 3.498 15.500 ( 2.998 -0.000 0.185) 3.004 15.848 ( -0.022 0.000 0.017) 0.028 15.871 ( 1.186 -0.000 1.182) 1.675 15.946 ( 2.473 -0.000 -10.579) 10.865 16.167 ( 2.299 -0.000 1.024) 2.517 16.465 ( 3.022 -0.000 0.491) 3.062 16.576 ( -3.440 0.000 -1.403) 3.715 17.857 ( -5.941 0.000 2.736) 6.541 18.104 ( -4.339 0.000 -0.456) 4.363 18.198 ( -0.789 0.000 3.795) 3.876 18.519 ( 2.807 -0.000 0.496) 2.850 19.102 ( -8.291 0.000 4.278) 9.330 19.338 ( 2.240 -0.000 -2.890) 3.656 20.394 ( 10.981 -0.000 18.593) 21.593 21.529 ( 3.018 -0.000 -8.739) 9.246 28.077 ( 6.358 -0.000 -1.857) 6.623 28.697 ( 3.653 -0.000 -7.158) 8.036 29.643 ( 0.912 -0.000 3.416) 3.536 30.019 ( 1.985 -0.000 4.969) 5.351 30.142 ( 0.688 -0.000 0.398) 0.795 30.163 ( 2.872 -0.000 6.668) 7.260 30.213 ( -0.141 0.000 -0.919) 0.930 30.649 ( -1.186 0.000 -0.333) 1.231 30.826 ( -4.143 0.000 -1.121) 4.293 31.311 ( 5.747 -0.000 -0.123) 5.749 31.858 ( 12.808 -0.000 -16.612) 20.977 32.531 ( 0.693 -0.000 0.230) 0.731 32.624 ( 4.244 -0.000 -5.890) 7.260 32.649 ( -0.516 0.000 -0.924) 1.059 33.604 ( -11.421 0.000 44.063) 45.519 35.139 ( -16.775 0.000 -25.176) 30.252 ======================= Grid point 144 (66/160) ======================= q-point: (-0.22 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -22.350 -7.716 -10.917) 26.043 1.776 ( -19.250 -41.137 -4.480) 45.638 1.963 ( -0.359 -43.650 -1.285) 43.670 2.431 ( -28.677 -19.592 -22.474) 41.368 2.497 ( -8.622 -32.162 -7.035) 34.032 2.707 ( 4.037 -10.702 0.516) 11.449 2.843 ( 2.984 -13.574 1.019) 13.936 3.228 ( 2.046 -13.461 6.410) 15.049 3.264 ( 6.361 -6.363 10.998) 14.209 3.564 ( 5.153 -5.433 4.291) 8.631 3.599 ( -3.070 -7.886 2.850) 8.930 3.670 ( 7.423 -14.217 -4.276) 16.599 4.097 ( 5.450 -2.974 5.995) 8.631 4.459 ( -4.032 -2.396 1.217) 4.846 4.509 ( 9.182 -11.386 -4.368) 15.266 4.992 ( -1.192 2.054 2.269) 3.285 5.579 ( 2.868 5.671 2.317) 6.765 5.720 ( -3.387 9.116 1.486) 9.838 5.840 ( -0.140 3.071 -5.050) 5.912 6.110 ( 8.387 6.572 1.974) 10.836 6.194 ( 7.759 -1.545 3.507) 8.654 6.332 ( 5.294 -0.126 -6.931) 8.722 6.666 ( -5.517 4.195 -0.116) 6.932 6.830 ( 1.321 3.437 6.064) 7.095 7.075 ( 4.470 2.965 -1.156) 5.487 7.331 ( 0.424 9.930 -5.343) 11.284 7.697 ( -8.234 8.146 5.797) 12.952 7.781 ( -3.913 6.359 1.639) 7.644 8.092 ( -7.373 0.850 -0.727) 7.457 8.409 ( -0.152 1.949 -3.331) 3.862 8.571 ( -0.425 -6.347 0.087) 6.362 8.749 ( -7.125 -5.119 0.758) 8.805 8.905 ( -1.098 -4.688 -6.886) 8.403 8.967 ( 0.384 9.950 0.765) 9.987 9.399 ( 6.061 -12.270 4.252) 14.331 9.933 ( -0.586 -12.247 -1.946) 12.414 10.105 ( -1.145 -3.851 2.698) 4.839 10.263 ( 16.448 -46.196 12.741) 50.665 10.798 ( -4.347 -0.616 -4.207) 6.081 11.001 ( 6.185 -2.018 6.380) 9.112 11.601 ( 1.380 3.981 -2.700) 5.004 11.838 ( -3.090 3.914 -2.486) 5.572 12.326 ( 1.919 -0.140 -10.937) 11.105 12.879 ( 1.485 -0.952 -4.239) 4.591 13.846 ( -5.586 1.149 0.161) 5.705 13.945 ( 0.927 0.624 -0.224) 1.139 15.269 ( -1.620 -0.157 0.429) 1.683 15.518 ( 3.850 1.176 -0.083) 4.026 15.797 ( -0.852 4.206 -2.927) 5.194 15.867 ( 1.122 0.737 -0.196) 1.357 15.945 ( 2.276 -2.839 -5.148) 6.304 16.171 ( 2.136 1.963 0.420) 2.931 16.414 ( 0.532 5.054 -2.976) 5.889 16.597 ( -2.873 -3.811 0.406) 4.790 17.828 ( -6.143 0.017 2.565) 6.656 17.995 ( -5.123 6.803 -1.594) 8.665 18.217 ( 0.330 0.381 3.295) 3.333 18.549 ( 1.905 0.093 1.798) 2.621 19.067 ( -3.653 2.526 3.636) 5.740 19.310 ( 0.067 2.513 0.924) 2.678 20.464 ( 4.046 15.413 12.861) 20.478 21.450 ( 1.353 2.749 -8.931) 9.442 28.012 ( 4.062 9.616 -5.820) 11.952 28.663 ( 1.375 0.269 -6.174) 6.331 29.669 ( 2.988 1.357 1.488) 3.604 29.811 ( -3.378 12.334 3.882) 13.365 30.119 ( 2.016 2.875 -0.038) 3.512 30.185 ( -0.380 1.741 0.446) 1.837 30.460 ( 1.001 -8.638 1.280) 8.790 30.629 ( -1.300 3.323 1.705) 3.954 30.795 ( -2.320 -1.366 -0.517) 2.742 31.235 ( 4.152 11.262 -5.360) 13.145 31.754 ( 2.463 2.035 -15.536) 15.861 32.232 ( 7.964 4.281 3.426) 9.669 32.493 ( -1.933 9.996 2.343) 10.447 33.434 ( 13.680 -44.022 -5.962) 46.482 34.111 ( -5.028 -27.286 41.393) 49.832 34.984 ( -11.117 -20.297 -15.679) 27.953 ======================= Grid point 145 (67/160) ======================= q-point: (-0.11 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -15.535 -14.828 -5.432) 22.152 1.831 ( -31.377 -11.538 -23.868) 41.077 2.592 ( 2.336 -17.058 7.352) 18.721 2.853 ( -1.833 -43.021 0.745) 43.067 2.957 ( -1.768 -28.259 -4.848) 28.726 3.081 ( -6.340 -32.243 6.548) 33.506 3.174 ( 0.300 -22.052 -3.084) 22.269 3.312 ( -7.740 -4.311 3.078) 9.379 3.670 ( 5.242 -20.903 -0.657) 21.560 3.747 ( 8.355 -8.821 3.431) 12.625 3.818 ( 1.216 -9.477 8.069) 12.506 4.113 ( 4.090 -33.414 -6.182) 34.227 4.304 ( 2.863 -15.258 2.945) 15.801 4.529 ( 1.081 -6.658 2.044) 7.048 4.801 ( 7.588 -15.632 -4.439) 17.934 4.952 ( -0.552 2.205 1.293) 2.615 5.416 ( -9.852 6.741 -2.976) 12.303 5.500 ( -5.429 10.895 -0.629) 12.189 5.751 ( 1.938 4.385 -3.167) 5.746 5.991 ( 2.655 10.346 -1.926) 10.853 6.222 ( -0.535 7.861 7.006) 10.544 6.391 ( 7.104 -0.851 -0.551) 7.176 6.636 ( 4.757 -1.476 4.413) 6.654 6.792 ( 3.188 6.093 -0.689) 6.911 6.958 ( -2.835 15.285 2.516) 15.748 7.189 ( 6.895 1.494 -6.278) 9.444 7.515 ( -3.790 6.645 -1.976) 7.901 7.655 ( -6.381 2.918 1.722) 7.225 7.979 ( -9.213 2.248 -0.261) 9.487 8.399 ( -1.807 -3.123 -6.129) 7.112 8.682 ( -0.640 -2.525 -1.248) 2.889 8.765 ( -0.586 -4.403 0.790) 4.511 8.867 ( -4.515 -2.334 5.737) 7.664 9.053 ( 0.919 -11.556 -4.664) 12.495 9.713 ( 5.545 -14.430 3.136) 15.773 10.089 ( -3.126 -9.654 -3.717) 10.807 10.283 ( 0.359 -14.578 3.196) 14.929 10.766 ( -2.742 -2.667 -3.077) 4.909 11.107 ( 7.327 -2.234 4.639) 8.955 11.277 ( 26.771 -23.627 18.783) 40.345 11.489 ( 0.834 6.853 -3.939) 7.949 11.721 ( -0.486 4.417 -2.198) 4.958 12.269 ( 0.213 -0.688 -8.354) 8.385 12.883 ( 0.774 -1.540 -2.788) 3.278 13.761 ( -7.280 2.249 -1.066) 7.694 13.940 ( 2.030 0.609 -1.178) 2.424 15.282 ( 0.828 -0.582 2.202) 2.423 15.520 ( 3.814 1.898 -1.352) 4.469 15.683 ( -2.694 4.422 -1.524) 5.398 15.883 ( 1.022 -1.404 1.653) 2.398 15.968 ( 1.469 -1.876 -4.097) 4.739 16.152 ( 2.060 2.721 1.012) 3.560 16.306 ( 0.611 4.463 -3.915) 5.968 16.615 ( -4.756 -1.197 0.645) 4.947 17.738 ( -6.695 5.438 -0.953) 8.678 17.884 ( -1.275 0.241 1.304) 1.840 18.237 ( 0.286 0.245 2.637) 2.664 18.563 ( -0.035 0.268 0.431) 0.509 19.000 ( -1.133 4.357 1.420) 4.721 19.308 ( -0.439 1.197 8.305) 8.402 20.157 ( -12.663 16.031 -3.078) 20.659 21.376 ( 0.270 1.061 -4.077) 4.222 27.819 ( -0.924 6.522 -5.164) 8.369 28.628 ( -0.620 -0.257 -4.223) 4.276 29.638 ( 0.535 2.302 -0.392) 2.395 29.738 ( 0.805 0.741 4.081) 4.225 30.083 ( 1.777 1.897 -1.209) 2.867 30.163 ( -0.507 0.905 0.655) 1.227 30.440 ( -1.703 6.577 -1.291) 6.915 30.490 ( -2.761 10.004 -0.474) 10.388 30.798 ( -0.200 1.078 -1.222) 1.642 31.055 ( 1.155 5.973 -3.667) 7.104 31.707 ( -1.169 -1.557 -4.470) 4.875 32.225 ( -2.250 9.778 4.767) 11.109 32.567 ( 12.801 -14.481 0.988) 19.353 34.016 ( -0.967 -19.695 6.946) 20.907 34.530 ( -6.551 -19.034 -13.737) 24.370 35.731 ( 29.165 -38.640 22.150) 53.238 ======================= Grid point 153 (68/160) ======================= q-point: (-0.22 -0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -22.605 0.000 -6.520) 23.526 1.091 ( -34.254 0.000 3.717) 34.455 1.509 ( 1.630 -0.000 -1.188) 2.017 1.777 ( -40.092 0.000 -34.393) 52.823 2.043 ( -7.405 0.000 -3.520) 8.199 2.548 ( 3.348 -0.000 0.329) 3.364 2.847 ( 7.440 -0.000 0.962) 7.502 3.141 ( 3.061 -0.000 2.080) 3.701 3.381 ( -5.315 0.000 10.554) 11.816 3.461 ( -1.953 0.000 6.357) 6.650 3.575 ( 8.247 -0.000 -1.833) 8.448 3.672 ( 11.186 -0.000 1.910) 11.348 4.131 ( -0.043 0.000 2.052) 2.053 4.432 ( 6.949 -0.000 -5.945) 9.145 4.466 ( 5.450 -0.000 3.136) 6.288 5.006 ( -4.620 0.000 3.975) 6.095 5.667 ( 2.685 -0.000 -4.745) 5.452 5.786 ( -4.025 0.000 -2.047) 4.516 5.823 ( 1.927 -0.000 -6.005) 6.307 6.242 ( 5.296 -0.000 -4.068) 6.678 6.326 ( 11.109 -0.000 8.644) 14.076 6.333 ( 13.319 -0.000 -4.253) 13.981 6.632 ( -7.681 0.000 -1.146) 7.766 6.939 ( 2.301 -0.000 6.838) 7.215 7.091 ( 3.220 -0.000 -4.251) 5.333 7.361 ( -5.408 0.000 -2.572) 5.989 7.803 ( -5.439 0.000 4.379) 6.983 7.879 ( -1.379 0.000 11.363) 11.447 8.001 ( -8.877 0.000 2.394) 9.195 8.460 ( 1.827 -0.000 -12.017) 12.156 8.463 ( -7.563 0.000 -2.047) 7.835 8.562 ( -7.359 0.000 -2.117) 7.657 8.890 ( 7.233 -0.000 0.295) 7.239 9.297 ( 4.245 -0.000 2.842) 5.108 9.356 ( 5.833 -0.000 5.543) 8.047 9.672 ( 0.635 -0.000 0.172) 0.658 9.808 ( -1.129 0.000 -2.974) 3.181 10.086 ( -0.417 0.000 3.857) 3.879 10.699 ( -5.086 0.000 -6.490) 8.246 11.115 ( 8.079 -0.000 9.362) 12.366 11.621 ( 1.055 -0.000 -4.139) 4.272 11.823 ( -4.586 0.000 -1.785) 4.922 12.259 ( 0.995 -0.000 -9.661) 9.713 12.856 ( 1.137 -0.000 -2.661) 2.894 13.813 ( -5.449 0.000 0.616) 5.484 13.959 ( 0.222 -0.000 0.835) 0.863 15.275 ( 0.450 -0.000 2.987) 3.021 15.545 ( 1.808 -0.000 -1.429) 2.304 15.815 ( 0.422 -0.000 -10.528) 10.536 15.821 ( -0.682 0.000 -0.832) 1.076 15.963 ( 3.847 -0.000 3.480) 5.187 16.189 ( 1.116 -0.000 -2.267) 2.527 16.487 ( 1.992 -0.000 -2.681) 3.340 16.501 ( -4.195 0.000 0.133) 4.197 17.800 ( -4.897 0.000 2.268) 5.397 18.011 ( -4.731 0.000 -0.509) 4.758 18.252 ( 1.463 -0.000 2.723) 3.091 18.569 ( -0.557 0.000 1.423) 1.528 19.112 ( 0.609 -0.000 3.790) 3.839 19.337 ( -1.021 0.000 2.903) 3.077 20.831 ( 10.864 -0.000 14.482) 18.105 21.423 ( 2.038 -0.000 -9.914) 10.121 28.114 ( 9.189 -0.000 -14.187) 16.903 28.628 ( -0.006 0.000 -5.101) 5.101 29.725 ( 4.097 -0.000 2.081) 4.595 30.084 ( 1.220 -0.000 1.106) 1.647 30.160 ( 0.808 -0.000 0.276) 0.854 30.200 ( -0.166 0.000 -0.528) 0.553 30.249 ( -0.301 0.000 0.607) 0.678 30.663 ( -1.033 0.000 3.355) 3.511 30.753 ( -3.849 0.000 0.801) 3.931 31.360 ( 6.888 -0.000 -9.419) 11.669 31.667 ( 11.476 -0.000 -41.376) 42.938 32.547 ( 0.937 -0.000 0.194) 0.957 32.628 ( -0.685 0.000 -0.540) 0.872 32.722 ( 9.357 -0.000 6.473) 11.378 34.104 ( -18.625 0.000 42.305) 46.224 34.591 ( -13.386 0.000 6.024) 14.679 ======================= Grid point 154 (69/160) ======================= q-point: (-0.11 -0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -22.601 -12.820 1.898) 26.053 1.187 ( -35.863 -12.253 -20.535) 43.104 1.695 ( -20.875 -64.605 -2.483) 67.939 1.988 ( 2.550 -44.359 1.843) 44.470 2.346 ( -7.859 -39.528 -1.813) 40.342 2.806 ( 3.074 -18.315 2.758) 18.774 2.919 ( 5.888 -3.612 -0.943) 6.972 3.237 ( -4.318 -6.273 0.343) 7.624 3.395 ( -0.255 -9.048 1.100) 9.118 3.624 ( 2.231 -13.071 0.701) 13.278 3.740 ( 4.588 -11.515 2.249) 12.598 3.814 ( 8.704 -2.944 7.686) 11.980 4.154 ( -0.260 -4.206 -0.403) 4.233 4.500 ( 5.370 -4.535 -2.487) 7.456 4.596 ( 8.208 -8.019 -1.600) 11.586 4.976 ( -5.610 1.540 1.684) 6.056 5.439 ( -12.136 13.011 -14.184) 22.754 5.614 ( -6.616 8.571 -2.607) 11.137 5.798 ( 4.039 1.883 -4.315) 6.203 6.151 ( 1.997 5.818 -3.352) 7.005 6.376 ( -0.094 7.639 3.460) 8.387 6.472 ( 10.782 0.276 4.912) 11.852 6.630 ( 4.101 -5.368 0.894) 6.814 6.921 ( 3.183 5.970 1.762) 6.991 7.138 ( 4.723 -0.138 -2.057) 5.153 7.237 ( -4.332 7.037 -2.688) 8.689 7.632 ( -6.255 11.594 4.287) 13.853 7.759 ( -5.450 16.344 -0.176) 17.229 7.960 ( -10.545 2.954 5.492) 12.250 8.276 ( -1.981 -2.506 -7.417) 8.076 8.524 ( -3.439 -10.709 0.930) 11.286 8.626 ( -6.867 -10.558 -1.957) 12.746 8.839 ( -1.091 7.258 -4.181) 8.447 9.016 ( 3.196 1.899 2.695) 4.592 9.565 ( 5.221 -10.807 5.339) 13.136 9.834 ( -2.789 -10.305 -5.705) 12.104 10.153 ( 0.286 -5.591 2.984) 6.344 10.641 ( -0.589 -5.500 -7.085) 8.988 10.935 ( 48.242 -65.655 2.454) 81.510 11.236 ( 6.820 -0.211 8.301) 10.745 11.562 ( 1.372 3.586 -4.646) 6.027 11.746 ( -4.454 3.040 -1.148) 5.513 12.234 ( -1.957 -0.391 8.889) 9.110 12.855 ( 0.954 -0.650 -1.691) 2.047 13.757 ( -5.998 3.359 1.745) 7.093 13.954 ( 0.245 0.911 -0.134) 0.953 15.316 ( 2.453 0.019 4.581) 5.196 15.535 ( -0.192 0.013 -2.074) 2.083 15.707 ( -2.332 3.277 -6.278) 7.456 15.831 ( 0.425 -2.296 -2.148) 3.172 16.011 ( 3.962 1.385 3.762) 5.636 16.167 ( -0.292 0.491 -3.482) 3.528 16.389 ( 1.146 5.104 -0.621) 5.268 16.545 ( -3.126 -3.027 -0.900) 4.444 17.766 ( -5.007 3.116 0.981) 5.978 17.914 ( -2.809 4.561 -0.085) 5.358 18.270 ( 0.770 1.078 2.034) 2.428 18.555 ( -2.523 0.298 -1.081) 2.761 19.097 ( 1.948 4.852 1.150) 5.353 19.371 ( -1.676 -0.148 10.340) 10.476 20.413 ( -23.086 41.078 -11.238) 48.442 21.375 ( 0.778 0.907 -1.724) 2.098 27.879 ( -2.493 10.090 -15.302) 18.498 28.595 ( -0.972 0.227 -2.595) 2.781 29.722 ( -0.177 8.871 -1.293) 8.966 29.794 ( -0.472 3.728 1.106) 3.917 30.124 ( 0.994 2.458 -2.544) 3.674 30.172 ( -1.015 1.202 -0.616) 1.689 30.463 ( -2.002 -2.406 0.265) 3.141 30.628 ( -2.765 7.047 2.209) 7.885 30.784 ( 0.701 -2.733 0.996) 2.992 31.124 ( 2.836 6.826 -17.491) 18.989 31.559 ( 0.155 -8.453 -10.196) 13.245 32.420 ( 2.663 8.224 5.253) 10.115 32.528 ( 6.286 -0.467 0.693) 6.341 33.618 ( 17.241 -40.339 -2.655) 43.950 34.086 ( -14.603 -8.237 -16.300) 23.384 35.468 ( 33.661 -53.043 53.534) 82.538 ======================= Grid point 163 (70/160) ======================= q-point: (-0.11 -0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( -24.304 0.000 7.773) 25.516 0.639 ( -40.694 0.000 -7.718) 41.420 0.715 ( -38.518 0.000 16.901) 42.062 1.580 ( 3.849 -0.000 4.471) 5.900 1.877 ( -7.351 0.000 -1.313) 7.467 2.599 ( 1.837 -0.000 0.168) 1.845 2.966 ( 5.968 -0.000 0.249) 5.973 3.139 ( -0.816 0.000 -1.810) 1.985 3.298 ( -4.316 0.000 -6.392) 7.713 3.517 ( 3.491 -0.000 -7.363) 8.149 3.718 ( 2.384 -0.000 11.166) 11.418 3.912 ( 3.546 -0.000 10.832) 11.397 4.114 ( 0.361 -0.000 -2.434) 2.461 4.443 ( 4.857 -0.000 -4.065) 6.334 4.628 ( 9.605 -0.000 -2.319) 9.881 4.941 ( -7.928 0.000 -2.541) 8.326 5.314 ( -18.177 0.000 -39.065) 43.087 5.620 ( -4.889 0.000 -3.570) 6.053 5.832 ( 5.718 -0.000 -1.733) 5.975 6.161 ( 1.179 -0.000 -4.797) 4.940 6.489 ( -8.213 0.000 3.364) 8.875 6.576 ( 4.114 -0.000 3.521) 5.415 6.606 ( 11.577 -0.000 2.759) 11.901 7.045 ( 3.032 -0.000 2.788) 4.118 7.111 ( 6.838 -0.000 -3.947) 7.896 7.232 ( -9.311 0.000 1.273) 9.398 7.745 ( -2.939 0.000 -0.943) 3.086 7.877 ( -8.723 0.000 0.830) 8.762 8.154 ( -0.770 0.000 -18.125) 18.141 8.193 ( 2.852 -0.000 -2.085) 3.533 8.443 ( -3.883 0.000 -0.806) 3.965 8.465 ( 2.176 -0.000 24.946) 25.040 8.999 ( 5.485 -0.000 -5.332) 7.650 9.222 ( -5.606 0.000 -18.608) 19.434 9.530 ( 5.103 -0.000 5.132) 7.237 9.618 ( -2.123 0.000 -5.613) 6.001 9.757 ( -0.120 0.000 -0.906) 0.914 10.128 ( -0.641 0.000 0.712) 0.958 10.576 ( -1.193 0.000 -1.990) 2.320 11.339 ( 3.454 -0.000 4.318) 5.529 11.567 ( 2.475 -0.000 -3.970) 4.679 11.739 ( -4.888 0.000 1.681) 5.169 12.490 ( 17.405 -0.000 60.625) 63.074 12.850 ( 1.187 -0.000 -1.080) 1.605 13.808 ( 1.797 -0.000 8.915) 9.094 13.976 ( -0.814 0.000 2.004) 2.163 15.378 ( 2.665 -0.000 4.403) 5.147 15.528 ( 0.413 -0.000 5.380) 5.395 15.664 ( -2.837 0.000 -2.667) 3.893 15.806 ( -0.058 0.000 -0.348) 0.352 16.082 ( 3.290 -0.000 3.419) 4.745 16.141 ( 0.291 -0.000 -4.123) 4.134 16.449 ( -3.505 0.000 0.984) 3.641 16.470 ( 2.281 -0.000 -3.399) 4.093 17.778 ( -0.438 0.000 -0.424) 0.610 17.946 ( -3.704 0.000 0.517) 3.740 18.300 ( 0.442 -0.000 -0.621) 0.763 18.515 ( -3.343 0.000 -3.846) 5.096 19.167 ( 3.669 -0.000 -1.340) 3.906 19.451 ( -0.215 0.000 13.324) 13.326 20.804 ( -8.646 0.000 -57.589) 58.235 21.397 ( 0.285 -0.000 2.062) 2.081 27.798 ( -7.545 0.000 -25.359) 26.458 28.583 ( -0.763 0.000 -1.147) 1.377 29.817 ( 4.032 -0.000 -0.804) 4.111 30.002 ( -11.713 0.000 -28.436) 30.754 30.122 ( 0.425 -0.000 -3.267) 3.294 30.175 ( 0.759 -0.000 0.086) 0.764 30.193 ( -0.339 0.000 0.038) 0.342 30.681 ( -2.148 0.000 2.067) 2.981 30.752 ( -5.590 0.000 -13.438) 14.555 30.807 ( -6.568 0.000 -22.213) 23.163 31.439 ( -0.834 0.000 -0.260) 0.873 32.565 ( 0.870 -0.000 0.209) 0.895 32.612 ( -0.679 0.000 -0.141) 0.693 33.107 ( 14.240 -0.000 14.947) 20.644 33.787 ( -10.987 0.000 -16.707) 19.996 35.577 ( 22.971 -0.000 77.381) 80.718 ======================= Grid point 164 (71/160) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -2.549 0.000 23.249) 23.388 1.033 ( -5.822 0.000 25.938) 26.584 1.853 ( -5.571 0.000 6.747) 8.750 1.933 ( 6.682 -0.000 5.961) 8.955 2.041 ( 14.774 -0.000 48.185) 50.399 2.556 ( -0.513 0.000 -3.057) 3.100 2.574 ( -3.227 0.000 -22.271) 22.503 3.013 ( 0.466 -0.000 -7.853) 7.867 3.141 ( -1.054 0.000 -8.196) 8.264 3.303 ( -0.047 0.000 9.871) 9.871 3.912 ( -2.659 0.000 -9.575) 9.938 4.080 ( -11.015 0.000 -6.306) 12.692 4.096 ( -6.131 0.000 9.858) 11.610 4.475 ( 7.918 -0.000 -2.340) 8.257 4.537 ( -10.631 0.000 -14.693) 18.135 4.596 ( 8.535 -0.000 0.104) 8.535 5.176 ( 19.166 -0.000 -5.636) 19.978 5.523 ( 3.499 -0.000 -1.930) 3.996 6.040 ( 4.866 -0.000 8.379) 9.689 6.156 ( 7.384 -0.000 -5.214) 9.039 6.481 ( -6.079 0.000 0.458) 6.096 6.604 ( -4.459 0.000 0.528) 4.491 6.721 ( 2.783 -0.000 -0.454) 2.819 6.983 ( -8.670 0.000 -3.073) 9.199 7.116 ( 6.098 -0.000 -2.894) 6.750 7.232 ( -0.323 0.000 1.266) 1.306 7.664 ( -0.318 0.000 3.183) 3.199 7.720 ( -4.232 0.000 -0.400) 4.250 7.753 ( -2.185 0.000 -1.478) 2.638 8.383 ( 6.881 -0.000 8.489) 10.927 8.446 ( 1.442 -0.000 1.321) 1.956 8.805 ( -2.683 0.000 1.815) 3.239 8.996 ( 4.151 -0.000 -0.095) 4.152 9.151 ( -3.252 0.000 1.897) 3.765 9.370 ( -3.049 0.000 -3.743) 4.828 9.588 ( 0.885 -0.000 -4.939) 5.018 9.849 ( 3.247 -0.000 3.372) 4.681 9.984 ( -2.521 0.000 -3.619) 4.411 10.685 ( 4.578 -0.000 3.545) 5.790 11.112 ( -6.124 0.000 -6.919) 9.240 11.694 ( 2.029 -0.000 1.649) 2.615 11.849 ( 0.260 -0.000 5.248) 5.254 12.807 ( -0.071 0.000 -1.985) 1.986 13.456 ( -3.118 0.000 1.666) 3.535 13.629 ( -9.859 0.000 -3.531) 10.472 14.006 ( 0.904 -0.000 -0.272) 0.944 15.396 ( -5.319 0.000 4.057) 6.690 15.664 ( -0.244 0.000 2.134) 2.148 15.815 ( 0.860 -0.000 0.641) 1.072 15.945 ( -2.049 0.000 -4.012) 4.505 16.134 ( 11.600 -0.000 -8.876) 14.606 16.294 ( 3.942 -0.000 3.124) 5.029 16.402 ( -2.894 0.000 -0.537) 2.943 16.550 ( -11.904 0.000 -0.129) 11.905 17.612 ( 1.421 -0.000 1.345) 1.957 17.890 ( -0.574 0.000 -1.256) 1.381 18.234 ( 1.901 -0.000 -3.106) 3.642 18.314 ( 1.473 -0.000 -5.787) 5.971 19.089 ( -3.736 0.000 3.207) 4.924 19.419 ( 5.219 -0.000 6.446) 8.294 20.098 ( 6.597 -0.000 -2.446) 7.036 21.614 ( 4.206 -0.000 7.262) 8.392 27.980 ( 4.973 -0.000 -10.963) 12.038 29.214 ( 9.601 -0.000 15.055) 17.856 29.709 ( 12.124 -0.000 -3.129) 12.521 29.941 ( 6.755 -0.000 0.716) 6.793 30.061 ( 2.355 -0.000 -2.083) 3.144 30.186 ( -0.258 0.000 0.157) 0.302 30.199 ( 0.247 -0.000 0.388) 0.460 30.399 ( -3.886 0.000 -1.426) 4.139 30.685 ( -2.494 0.000 0.938) 2.665 31.191 ( 15.440 -0.000 2.920) 15.714 31.420 ( -0.596 0.000 -0.519) 0.790 32.582 ( -0.468 0.000 0.336) 0.576 32.609 ( 0.527 -0.000 0.143) 0.546 32.663 ( -11.647 0.000 -15.982) 19.776 34.307 ( 26.379 -0.000 14.990) 30.341 34.989 ( -52.796 0.000 -2.998) 52.881 ======================= Grid point 165 (72/160) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 7.914 -5.678 21.404) 23.516 1.721 ( 2.478 -49.681 17.654) 52.783 2.124 ( -0.811 -16.541 -4.839) 17.253 2.331 ( -0.717 -31.823 2.596) 31.937 2.498 ( 4.360 -14.446 4.786) 15.831 2.651 ( 12.737 -23.085 24.242) 35.817 2.736 ( -2.188 -18.729 -4.043) 19.285 3.173 ( 2.760 -24.444 -7.032) 25.585 3.215 ( 0.444 -14.350 -5.600) 15.411 3.388 ( -3.495 -2.993 10.595) 11.551 3.804 ( -6.087 -3.326 -12.401) 14.209 3.918 ( -8.626 2.082 -8.277) 12.135 4.204 ( -9.400 -12.366 6.847) 16.975 4.373 ( -6.104 -2.058 -11.456) 13.143 4.613 ( 4.765 -11.248 -4.354) 12.969 4.679 ( 9.202 -0.824 0.739) 9.268 5.235 ( 11.662 1.879 -6.576) 13.519 5.468 ( 4.698 8.252 -2.067) 9.718 6.011 ( 4.816 10.071 3.362) 11.658 6.201 ( -2.315 -0.768 -0.516) 2.494 6.324 ( -6.193 8.215 -1.560) 10.406 6.575 ( -0.066 2.425 1.958) 3.118 6.718 ( -3.226 4.760 2.911) 6.445 6.838 ( -6.011 3.990 -4.582) 8.547 7.037 ( 5.240 10.393 -2.875) 11.989 7.247 ( 6.225 0.119 -0.691) 6.264 7.631 ( -8.593 1.786 0.278) 8.781 7.680 ( 2.371 0.681 4.464) 5.101 7.910 ( 3.512 -10.407 0.574) 10.999 8.491 ( 0.463 1.918 0.092) 1.975 8.508 ( 6.896 0.478 6.028) 9.172 8.599 ( -2.652 6.470 -0.632) 7.020 8.965 ( 0.680 2.715 3.669) 4.614 9.119 ( -2.491 -1.997 0.059) 3.193 9.536 ( -3.368 -17.171 2.345) 17.655 9.876 ( -0.428 -21.602 -12.750) 25.088 9.981 ( 3.156 -8.823 3.075) 9.862 10.062 ( -1.386 -18.949 -6.119) 19.961 10.754 ( 2.359 -1.395 0.368) 2.765 11.035 ( -3.902 -1.486 -3.328) 5.340 11.677 ( 0.325 4.082 0.931) 4.200 11.857 ( 1.083 3.695 3.651) 5.306 12.774 ( -3.347 0.916 -1.597) 3.820 13.363 ( -14.619 2.959 4.524) 15.586 13.595 ( 7.798 1.748 -0.502) 8.007 14.007 ( -0.856 -0.551 -0.936) 1.383 15.395 ( -4.433 -0.338 5.827) 7.329 15.649 ( -2.138 0.794 0.048) 2.281 15.807 ( 1.572 3.044 0.477) 3.459 15.869 ( -2.384 3.675 -3.837) 5.823 16.146 ( 10.011 1.768 -6.059) 11.834 16.296 ( -4.558 1.715 -0.722) 4.923 16.405 ( 5.363 -0.048 1.924) 5.698 16.486 ( -10.836 -2.041 4.033) 11.741 17.642 ( 2.118 -0.879 0.177) 2.300 17.866 ( 2.841 2.753 -0.720) 4.021 18.182 ( -2.338 2.963 -2.196) 4.367 18.296 ( 5.532 -0.027 -5.129) 7.544 19.065 ( -5.754 1.175 3.109) 6.645 19.489 ( 5.349 2.644 5.709) 8.258 19.963 ( 3.859 13.435 -3.066) 14.311 21.656 ( 2.071 3.349 5.341) 6.635 27.893 ( 3.399 4.770 -6.744) 8.932 29.146 ( 0.125 16.827 11.679) 20.483 29.617 ( 0.164 5.563 -3.041) 6.342 29.797 ( -2.709 2.787 -1.026) 4.020 30.056 ( 2.322 1.322 -1.907) 3.283 30.162 ( 0.218 2.994 -0.288) 3.016 30.377 ( 4.190 2.294 -1.013) 4.883 30.619 ( 0.845 -2.168 1.594) 2.820 30.762 ( -1.945 -19.640 0.831) 19.753 31.256 ( 7.624 8.069 -1.094) 11.155 31.466 ( 8.992 -7.423 -2.767) 11.984 32.444 ( -2.713 6.878 -2.241) 7.726 32.588 ( -10.041 -5.119 -1.947) 11.438 32.841 ( 7.320 -24.406 -10.317) 27.489 34.555 ( -12.517 -11.965 3.210) 17.611 35.018 ( -4.591 -26.877 4.594) 27.650 ======================= Grid point 166 (73/160) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 16.859 -7.112 10.601) 21.147 2.127 ( 0.031 -2.543 -7.364) 7.791 2.558 ( 9.307 -21.411 18.241) 29.628 2.884 ( -4.145 -27.027 -5.915) 27.975 2.964 ( 1.918 -19.269 7.154) 20.644 3.123 ( -3.896 -32.277 0.264) 32.512 3.331 ( 1.005 -31.020 -0.756) 31.045 3.398 ( 0.527 -8.730 8.533) 12.219 3.495 ( 2.398 -15.596 1.393) 15.840 3.696 ( -5.045 -16.868 -3.701) 17.991 3.750 ( -6.806 -14.398 -3.693) 16.348 3.983 ( 2.506 -26.638 -7.061) 27.672 4.329 ( 1.085 -5.841 -3.660) 6.978 4.502 ( -8.620 -22.675 4.732) 24.715 4.745 ( 8.892 0.887 -0.999) 8.992 4.857 ( -0.767 -17.585 -5.952) 18.581 5.246 ( 3.034 -2.403 -5.390) 6.635 5.327 ( 5.091 9.569 -2.052) 11.031 5.863 ( 5.606 12.935 -0.359) 14.103 6.077 ( -6.520 7.359 -2.128) 10.060 6.191 ( -3.949 5.196 5.011) 8.228 6.495 ( -0.577 10.875 0.284) 10.894 6.529 ( -3.606 10.201 0.242) 10.823 6.757 ( -3.545 0.177 -0.280) 3.560 6.909 ( 6.187 7.239 -0.911) 9.566 7.298 ( 7.888 0.784 -1.635) 8.094 7.528 ( -7.375 3.227 0.920) 8.103 7.714 ( -0.671 -0.156 3.665) 3.729 8.092 ( 4.451 -4.149 5.180) 7.991 8.335 ( -1.885 3.374 -6.701) 7.735 8.588 ( -3.024 -3.899 -5.338) 7.269 8.664 ( 8.879 -3.053 5.073) 10.672 8.975 ( -1.714 -0.529 5.045) 5.354 9.176 ( -0.659 -6.509 -1.431) 6.697 9.833 ( -4.143 -15.609 4.182) 16.682 10.087 ( 0.257 -14.468 -3.557) 14.901 10.216 ( 0.295 -14.131 1.901) 14.261 10.384 ( -0.418 -23.368 -11.920) 26.236 10.769 ( -1.556 -3.184 -3.029) 4.662 11.056 ( 0.898 -1.894 0.768) 2.232 11.590 ( -0.706 5.936 0.338) 5.987 11.789 ( 0.816 7.563 1.484) 7.751 12.698 ( -5.864 2.611 -0.092) 6.419 13.246 ( -5.824 5.583 6.295) 10.233 13.645 ( 7.300 -0.445 -0.658) 7.343 13.990 ( -2.492 0.031 -1.530) 2.925 15.412 ( -2.972 0.270 6.054) 6.750 15.613 ( -4.615 1.006 -1.299) 4.899 15.712 ( 1.106 7.966 0.344) 8.050 15.787 ( 1.128 2.150 -1.130) 2.678 16.134 ( 4.641 2.087 -7.850) 9.355 16.212 ( -3.819 3.059 1.261) 5.053 16.421 ( 1.192 0.989 -0.904) 1.793 16.537 ( -1.597 -2.722 8.108) 8.700 17.678 ( 1.862 -1.527 -0.332) 2.431 17.833 ( 3.216 3.687 0.011) 4.893 18.122 ( -0.345 0.591 -0.880) 1.115 18.317 ( 5.859 -1.131 -4.758) 7.632 19.015 ( -7.275 0.203 2.063) 7.564 19.473 ( 1.347 8.110 7.703) 11.266 19.802 ( 5.254 4.458 -5.985) 9.126 21.621 ( -0.674 4.694 2.608) 5.412 27.808 ( 2.895 4.142 -2.343) 5.570 28.948 ( -3.151 10.370 2.907) 11.221 29.568 ( -1.110 -0.580 0.033) 1.253 29.729 ( -4.987 0.652 -1.090) 5.146 30.034 ( 0.878 1.246 -1.356) 2.041 30.101 ( 1.093 3.701 -1.201) 4.041 30.367 ( 6.363 3.873 -0.213) 7.452 30.584 ( 1.232 5.778 2.461) 6.400 30.907 ( -3.928 0.188 2.972) 4.929 31.113 ( 0.582 9.691 -1.391) 9.808 31.649 ( 7.043 -4.624 -2.607) 8.819 32.297 ( -4.891 7.199 4.546) 9.819 32.653 ( -11.324 -14.543 -1.554) 18.497 33.341 ( 10.701 -32.795 -11.496) 36.362 34.718 ( -16.256 -21.643 -4.163) 27.386 35.532 ( 10.041 -22.914 4.927) 25.498 ======================= Grid point 167 (74/160) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 13.302 1.001 -9.095) 16.145 2.279 ( 3.751 -9.189 13.522) 16.774 2.717 ( -8.484 0.464 -12.835) 15.393 3.171 ( 2.213 -10.223 0.967) 10.504 3.265 ( -1.427 -11.001 10.628) 15.363 3.416 ( 3.076 -3.442 6.638) 8.086 3.584 ( -3.395 -12.956 -0.616) 13.408 3.649 ( -0.256 -10.469 -1.581) 10.590 3.902 ( -3.826 -27.250 -1.332) 27.549 3.962 ( 3.573 -25.198 0.666) 25.459 4.132 ( 2.829 -16.384 0.632) 16.639 4.334 ( -4.476 -14.108 -5.357) 15.740 4.608 ( 9.427 -17.051 4.347) 19.962 4.746 ( 6.665 -0.475 1.542) 6.857 4.849 ( -6.170 -15.263 -3.354) 16.801 5.097 ( -5.650 -18.190 -1.675) 19.121 5.247 ( 5.969 -0.798 -3.348) 6.890 5.322 ( -5.622 -9.307 -5.475) 12.174 5.710 ( 8.366 10.609 -0.964) 13.545 5.878 ( -4.723 8.281 -0.855) 9.572 6.085 ( -1.732 11.954 7.138) 14.030 6.244 ( 2.445 11.158 -1.232) 11.489 6.458 ( -4.219 -2.175 2.824) 5.523 6.714 ( -5.566 0.881 -0.800) 5.692 6.859 ( 9.263 6.197 -0.445) 11.154 7.298 ( 3.585 3.835 -1.450) 5.446 7.423 ( -3.847 3.371 -0.712) 5.164 7.731 ( -4.515 -2.027 1.689) 5.230 8.189 ( 2.380 1.560 7.623) 8.137 8.265 ( 0.414 -1.735 -8.807) 8.986 8.580 ( -2.744 -4.218 -7.568) 9.088 8.798 ( 6.526 -0.336 3.718) 7.518 9.035 ( -0.025 -2.549 6.506) 6.988 9.299 ( -0.240 -10.415 -3.056) 10.857 10.005 ( -2.031 -6.242 0.514) 6.585 10.269 ( -3.604 -5.933 0.914) 7.002 10.461 ( -1.101 -14.753 -1.411) 14.861 10.666 ( 0.065 -18.446 -4.298) 18.940 10.863 ( -0.380 -10.952 -1.539) 11.066 11.080 ( 2.889 1.685 0.534) 3.387 11.492 ( -1.786 4.148 -0.456) 4.539 11.642 ( 0.449 10.537 0.250) 10.550 12.601 ( -5.307 4.216 2.063) 7.084 13.152 ( -1.306 6.900 3.466) 7.831 13.713 ( 5.562 -2.119 -1.272) 6.087 13.940 ( -3.591 1.516 -1.781) 4.285 15.415 ( -1.723 1.499 3.947) 4.560 15.482 ( -2.481 6.274 -1.919) 7.015 15.678 ( 0.735 0.881 3.346) 3.537 15.779 ( 1.979 -0.463 0.118) 2.036 16.025 ( -4.224 3.169 -5.688) 7.761 16.177 ( 2.227 1.876 0.043) 2.912 16.400 ( 4.197 3.602 -1.398) 5.704 16.606 ( -3.578 -1.665 5.519) 6.785 17.703 ( 1.039 0.387 -0.366) 1.167 17.818 ( 1.757 -0.664 -0.181) 1.887 18.144 ( 1.998 -2.022 0.479) 2.883 18.364 ( 6.962 -1.887 -3.520) 8.026 18.981 ( -6.389 -1.118 1.856) 6.747 19.407 ( 1.088 7.177 10.687) 12.919 19.777 ( 3.548 -1.636 -8.084) 8.979 21.533 ( -2.653 4.865 -0.358) 5.552 27.767 ( 2.896 2.747 0.395) 4.011 28.791 ( -4.001 5.247 -2.092) 6.922 29.599 ( -1.175 -2.815 1.241) 3.293 29.692 ( -3.093 -1.235 0.107) 3.332 30.008 ( 1.182 2.646 0.214) 2.906 30.056 ( 0.616 0.052 -2.800) 2.868 30.323 ( 3.817 6.461 -0.644) 7.532 30.482 ( 1.644 9.202 1.437) 9.457 30.863 ( -2.003 1.959 2.584) 3.811 30.952 ( -0.778 6.905 -2.289) 7.316 31.677 ( 4.366 3.267 -2.153) 5.863 32.197 ( -6.208 4.437 6.773) 10.203 32.839 ( -7.807 -15.564 0.202) 17.413 33.870 ( 4.846 -27.846 -6.436) 28.988 34.915 ( -11.817 -18.171 -6.202) 22.545 35.980 ( 12.295 -14.530 5.531) 19.821 ======================= Grid point 168 (75/160) ======================= q-point: (-0.56 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 6.575 4.818 -8.750) 11.959 2.324 ( -15.781 5.616 -12.264) 20.760 2.684 ( 6.348 -5.059 11.575) 14.137 3.238 ( -4.609 -3.013 -8.232) 9.904 3.355 ( -5.437 -2.185 5.163) 7.809 3.609 ( 9.035 -3.271 12.797) 16.003 3.714 ( 1.576 0.990 0.859) 2.050 3.925 ( 5.918 -17.514 2.172) 18.614 4.188 ( -1.015 -8.313 0.457) 8.388 4.270 ( -0.349 -8.191 -0.257) 8.202 4.341 ( 2.709 -6.298 -1.318) 6.981 4.415 ( -1.623 -0.244 0.297) 1.668 4.721 ( 4.997 -1.386 1.006) 5.282 4.838 ( -2.711 -1.338 -7.945) 8.501 5.078 ( 3.579 -10.720 5.347) 12.503 5.264 ( -8.083 -4.954 -6.144) 11.297 5.316 ( -4.969 -7.106 -1.929) 8.883 5.403 ( 1.131 -6.818 -2.387) 7.312 5.546 ( 0.830 13.026 1.022) 13.092 5.784 ( 2.466 2.694 0.088) 3.653 5.963 ( 3.062 2.861 4.922) 6.464 6.166 ( -1.095 0.985 1.070) 1.820 6.554 ( -1.655 -6.464 4.806) 8.223 6.629 ( -4.076 1.487 -3.797) 5.765 6.835 ( 10.774 5.218 -1.949) 12.129 7.221 ( 0.142 5.401 0.312) 5.411 7.348 ( -1.096 1.364 -3.671) 4.066 7.730 ( -6.572 -2.000 1.245) 6.982 8.174 ( -0.758 5.495 3.827) 6.739 8.265 ( 1.350 -2.139 -3.942) 4.684 8.585 ( -1.351 -4.429 -6.999) 8.392 8.840 ( 4.064 1.297 0.837) 4.347 9.121 ( 1.709 0.080 6.561) 6.781 9.459 ( -0.744 -8.389 -1.207) 8.508 10.056 ( 1.075 -1.791 -1.475) 2.557 10.230 ( -4.893 3.777 -0.414) 6.195 10.674 ( -1.233 -12.639 -0.996) 12.738 10.945 ( 1.247 -9.308 1.147) 9.461 10.982 ( 0.499 -3.451 -0.683) 3.553 11.119 ( 2.431 -4.815 -0.007) 5.394 11.394 ( -2.338 3.099 -2.032) 4.382 11.502 ( 1.481 5.511 0.128) 5.708 12.501 ( -4.084 5.388 3.824) 7.767 13.038 ( -0.146 6.570 -0.801) 6.621 13.778 ( 2.370 -1.997 -1.843) 3.606 13.866 ( -2.344 1.974 -1.166) 3.279 15.373 ( -0.473 2.779 0.452) 2.855 15.417 ( 0.688 1.497 1.599) 2.295 15.674 ( -0.858 1.841 0.878) 2.213 15.847 ( 1.822 -4.202 1.642) 4.866 15.932 ( -3.453 -0.243 -1.576) 3.804 16.165 ( 2.086 0.938 -2.103) 3.108 16.338 ( 5.599 7.984 0.914) 9.795 16.620 ( -5.762 -1.720 1.497) 6.197 17.682 ( -0.459 1.321 -0.500) 1.485 17.868 ( 1.521 -2.621 0.031) 3.030 18.206 ( 1.536 -2.186 1.644) 3.137 18.436 ( 6.802 -2.207 -2.932) 7.729 18.970 ( -3.436 -0.219 3.116) 4.643 19.422 ( 1.264 2.486 12.437) 12.746 19.768 ( -1.004 -3.099 -9.195) 9.755 21.423 ( -3.229 3.718 -2.107) 5.356 27.762 ( 2.514 1.745 2.039) 3.677 28.673 ( -3.309 2.691 -3.637) 5.605 29.626 ( -1.456 -1.018 0.364) 1.813 29.743 ( -0.153 -4.297 2.410) 4.929 29.977 ( 1.942 1.315 -0.700) 2.447 30.073 ( -0.770 -4.057 -2.049) 4.610 30.212 ( 1.369 6.674 -1.899) 7.072 30.344 ( 1.322 8.565 0.214) 8.669 30.840 ( -1.152 4.044 -1.129) 4.354 30.875 ( 0.322 -1.859 1.494) 2.407 31.631 ( 2.544 2.623 -1.920) 4.128 32.140 ( -5.920 2.021 6.458) 8.991 33.004 ( -2.217 -7.088 1.191) 7.521 34.217 ( -0.999 -15.101 -4.261) 15.723 35.012 ( -8.533 -6.969 -4.721) 11.986 36.299 ( 14.525 -5.919 4.639) 16.357 ======================= Grid point 169 (76/160) ======================= q-point: (-0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -0.491 8.968 -4.347) 9.978 1.943 ( -17.509 11.591 -8.790) 22.763 2.869 ( 6.248 -0.576 6.273) 8.872 3.169 ( -8.782 -1.372 0.381) 8.896 3.389 ( 0.048 0.558 -1.794) 1.879 3.628 ( 1.689 6.801 1.959) 7.276 3.776 ( 6.571 4.692 8.854) 11.983 4.146 ( 3.896 1.833 -0.623) 4.351 4.172 ( 0.884 10.652 3.672) 11.302 4.254 ( -3.088 15.378 1.282) 15.737 4.336 ( 2.307 6.682 -0.239) 7.073 4.432 ( 3.623 -9.444 1.173) 10.183 4.686 ( -2.837 7.144 -6.646) 10.161 4.828 ( -1.394 -4.161 -2.738) 5.173 5.078 ( -2.474 17.078 -4.450) 17.820 5.164 ( 0.666 4.294 2.395) 4.962 5.324 ( -5.347 3.900 0.557) 6.641 5.393 ( -1.462 -7.862 -1.514) 8.138 5.579 ( 1.038 -4.912 1.026) 5.124 5.733 ( 3.063 4.999 0.202) 5.866 6.084 ( 4.569 -6.452 4.911) 9.307 6.196 ( -4.220 -7.645 -1.164) 8.809 6.509 ( -5.704 1.920 -3.532) 6.978 6.725 ( 6.002 -6.748 -0.127) 9.032 6.828 ( 7.216 2.840 -1.626) 7.923 7.136 ( -0.674 4.412 -0.229) 4.469 7.325 ( 2.234 -0.994 -1.502) 2.870 7.713 ( -6.850 -1.111 1.789) 7.166 8.077 ( -3.133 6.859 4.059) 8.563 8.276 ( 1.050 -1.177 -3.544) 3.879 8.599 ( -1.756 -3.385 -3.930) 5.476 8.854 ( 4.944 1.058 -1.718) 5.340 9.146 ( 0.466 2.946 5.622) 6.364 9.443 ( -3.735 8.431 -0.432) 9.232 10.048 ( -0.392 2.652 -0.901) 2.828 10.193 ( 2.548 -1.741 -0.440) 3.117 10.767 ( 0.872 6.391 -3.508) 7.343 10.916 ( -1.236 0.023 2.524) 2.811 11.054 ( -1.361 2.420 0.297) 2.793 11.202 ( 0.870 -6.523 -1.488) 6.747 11.456 ( 5.434 -7.844 -6.269) 11.417 11.472 ( 1.845 -1.529 0.415) 2.432 12.439 ( -2.853 2.084 8.823) 9.504 12.936 ( 0.794 4.224 -1.966) 4.726 13.734 ( -5.316 2.427 -1.156) 5.957 13.877 ( 3.627 -1.658 -1.114) 4.141 15.355 ( 1.133 1.024 1.955) 2.480 15.432 ( 1.909 -1.331 0.168) 2.333 15.637 ( -2.511 0.638 0.021) 2.591 15.893 ( -1.838 -2.058 -0.758) 2.861 15.980 ( 1.578 -2.390 -0.115) 2.867 16.145 ( 2.702 0.257 -3.779) 4.653 16.275 ( 4.918 6.474 7.921) 11.351 16.598 ( -6.298 -1.510 -1.266) 6.599 17.655 ( -0.903 0.954 0.169) 1.325 17.909 ( 1.533 -0.703 -0.782) 1.859 18.255 ( -0.168 -1.233 2.054) 2.401 18.483 ( 2.652 -1.382 -4.509) 5.411 18.991 ( 1.464 0.107 5.227) 5.429 19.493 ( -0.638 -0.226 9.297) 9.321 19.724 ( -7.347 -3.091 -8.135) 11.389 21.343 ( -1.986 1.182 -1.486) 2.748 27.772 ( 1.353 1.213 2.791) 3.330 28.594 ( -1.900 1.261 -3.016) 3.781 29.633 ( 0.915 0.018 0.391) 0.995 29.803 ( 0.248 -0.106 1.452) 1.477 30.002 ( 0.654 -3.072 -2.235) 3.855 30.129 ( 0.306 -0.507 -4.979) 5.014 30.150 ( 0.110 -4.059 1.093) 4.205 30.255 ( 0.299 1.289 1.605) 2.080 30.773 ( -1.162 2.061 -0.066) 2.367 30.932 ( 0.961 -2.778 0.583) 2.997 31.618 ( 0.792 -0.913 -1.502) 1.928 32.135 ( -5.164 -1.523 6.152) 8.175 33.040 ( 3.942 4.716 0.928) 6.216 34.293 ( -4.756 -1.322 -6.309) 8.011 34.932 ( -4.602 7.539 -0.997) 8.889 36.485 ( 17.278 1.649 0.906) 17.381 ======================= Grid point 170 (77/160) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -7.842 13.024 1.326) 15.260 1.571 ( -13.234 15.203 6.041) 21.042 2.888 ( -2.043 -0.151 -4.872) 5.285 3.168 ( -0.804 1.780 5.538) 5.872 3.237 ( 0.210 14.123 -2.469) 14.339 3.499 ( 0.948 16.656 3.104) 16.970 3.622 ( 0.731 26.793 1.764) 26.861 3.861 ( -9.286 33.651 7.613) 35.730 3.929 ( -0.652 8.822 -2.430) 9.174 4.045 ( 2.571 13.257 1.079) 13.547 4.159 ( 6.931 11.847 3.965) 14.287 4.410 ( 0.854 17.461 -3.606) 17.850 4.581 ( 2.544 8.038 -10.585) 13.532 4.774 ( -0.974 10.277 4.613) 11.307 4.798 ( -0.235 0.878 -0.308) 0.959 5.029 ( 3.630 13.886 -1.371) 14.418 5.244 ( -5.140 -1.170 -2.005) 5.640 5.386 ( -6.188 7.012 -0.741) 9.381 5.591 ( 1.473 -4.004 -4.342) 6.087 5.848 ( 2.572 -11.103 3.408) 11.896 6.248 ( -2.153 -5.714 5.485) 8.208 6.364 ( 3.710 -11.599 -1.543) 12.276 6.444 ( -3.725 -5.772 -5.351) 8.708 6.824 ( 3.865 2.424 -1.429) 4.780 6.868 ( 6.545 -6.948 -7.564) 12.179 7.097 ( -1.889 -0.248 5.899) 6.199 7.385 ( 4.895 -2.316 0.801) 5.475 7.686 ( -7.123 -0.683 2.734) 7.660 7.975 ( -4.898 4.205 4.631) 7.944 8.272 ( 2.054 0.347 -2.788) 3.480 8.620 ( -0.687 -2.556 -1.434) 3.011 8.836 ( 1.869 3.169 -2.335) 4.358 9.102 ( -5.515 8.351 4.017) 10.784 9.200 ( 1.958 11.755 -0.428) 11.925 9.985 ( 1.757 5.659 0.848) 5.985 10.184 ( 1.018 7.396 0.518) 7.484 10.528 ( -0.515 14.684 -3.014) 14.999 10.816 ( -0.373 10.168 -0.055) 10.175 11.126 ( 0.913 -6.749 -1.810) 7.047 11.242 ( 3.652 -2.305 -10.587) 11.434 11.508 ( 8.701 0.358 -9.014) 12.534 11.583 ( -0.183 -5.858 0.385) 5.874 12.595 ( 2.547 -9.950 16.945) 19.815 12.890 ( 2.873 1.906 1.581) 3.793 13.646 ( -6.970 0.895 -0.233) 7.031 13.919 ( 3.452 -0.663 -1.046) 3.668 15.377 ( 1.475 -0.469 2.022) 2.547 15.488 ( 2.374 -2.699 0.456) 3.623 15.617 ( -4.068 -0.777 1.216) 4.316 15.920 ( -0.227 -3.590 -2.275) 4.256 15.948 ( 2.044 3.877 -2.183) 4.896 16.159 ( 2.606 0.505 -0.081) 2.656 16.345 ( 4.913 -1.055 10.470) 11.614 16.552 ( -6.334 -0.808 -2.447) 6.838 17.641 ( -1.679 -0.177 0.949) 1.937 17.905 ( 1.987 1.361 -2.291) 3.324 18.276 ( -1.703 -0.628 1.395) 2.289 18.455 ( -1.971 -0.290 -7.010) 7.287 19.061 ( 5.404 -0.045 5.537) 7.738 19.514 ( -7.222 -1.563 -3.341) 8.109 19.653 ( -11.825 -2.386 2.066) 12.239 21.338 ( 0.209 -1.444 1.312) 1.962 27.781 ( -0.156 0.745 3.127) 3.219 28.560 ( 0.251 0.219 -0.550) 0.643 29.645 ( 1.809 0.601 0.670) 2.020 29.790 ( 1.334 1.328 -2.039) 2.775 30.004 ( 0.892 0.005 -4.198) 4.292 30.115 ( -0.158 -1.535 -1.973) 2.505 30.266 ( -0.764 -8.037 0.523) 8.090 30.349 ( -1.917 -8.508 3.760) 9.497 30.764 ( -0.095 -1.230 1.815) 2.195 30.981 ( 0.844 -2.011 -0.330) 2.206 31.638 ( -0.198 -1.361 -1.331) 1.914 32.201 ( -4.599 -5.733 5.874) 9.408 32.935 ( 9.445 13.491 -0.377) 16.472 34.103 ( -6.919 10.186 -11.503) 16.851 34.685 ( 1.423 20.199 3.213) 20.503 36.528 ( 17.763 7.955 -7.294) 20.785 ======================= Grid point 171 (78/160) ======================= q-point: (-0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -8.587 14.046 11.646) 20.166 1.346 ( -6.197 13.954 25.425) 29.657 2.724 ( -9.291 14.942 -8.433) 19.512 2.837 ( -3.711 43.167 3.056) 43.433 2.911 ( -1.412 37.787 6.330) 38.339 3.113 ( -2.646 32.407 2.781) 32.633 3.195 ( 3.639 6.817 5.057) 9.235 3.241 ( -1.834 23.167 -0.598) 23.248 3.722 ( 1.958 19.582 -1.711) 19.754 3.807 ( -0.880 32.845 -10.786) 34.582 3.942 ( 3.195 1.295 -2.131) 4.053 4.169 ( -0.214 3.614 7.651) 8.464 4.407 ( 3.683 14.901 -0.433) 15.355 4.580 ( 2.652 9.367 0.710) 9.761 4.748 ( 1.117 10.914 -4.327) 11.794 4.809 ( 3.028 7.867 -0.865) 8.474 5.177 ( -9.275 5.400 -4.931) 11.811 5.311 ( -2.966 -10.880 -2.951) 11.656 5.691 ( 4.678 -6.555 -1.024) 8.118 6.073 ( 3.048 -8.101 1.376) 8.764 6.289 ( -7.321 -3.706 3.299) 8.844 6.546 ( 5.329 -6.990 0.906) 8.836 6.638 ( 1.894 -16.710 -6.059) 17.875 6.782 ( 1.509 1.407 -3.595) 4.145 6.985 ( 6.206 -5.992 -4.103) 9.553 7.167 ( -6.399 -4.503 5.326) 9.466 7.478 ( 3.659 -3.081 2.144) 5.242 7.676 ( -4.739 -1.715 3.874) 6.357 7.949 ( -6.437 -2.301 5.533) 8.795 8.264 ( 4.519 2.090 -0.224) 4.984 8.601 ( -0.808 3.689 -4.682) 6.015 8.789 ( -0.564 0.521 3.324) 3.411 8.815 ( -4.643 15.554 0.008) 16.233 9.152 ( 2.667 2.961 2.917) 4.938 9.864 ( -0.756 12.136 0.726) 12.181 9.986 ( 2.608 14.152 1.601) 14.479 10.279 ( -1.313 11.177 -3.064) 11.663 10.620 ( 3.778 11.934 -6.817) 14.253 11.043 ( 10.344 16.354 -23.953) 30.793 11.228 ( -3.083 -4.182 -4.593) 6.935 11.518 ( 5.135 -1.808 0.281) 5.451 11.685 ( -2.138 -5.611 3.723) 7.065 12.804 ( 1.389 -2.152 -2.078) 3.298 13.123 ( 15.383 -10.873 18.688) 26.535 13.610 ( -11.351 -6.262 0.678) 12.981 13.944 ( 4.165 0.511 -0.281) 4.205 15.411 ( -0.377 -1.000 1.487) 1.831 15.572 ( 1.955 -1.881 3.840) 4.702 15.627 ( -1.140 -4.433 1.974) 4.985 15.914 ( 3.671 1.550 1.387) 4.219 15.971 ( 0.056 -4.423 -4.602) 6.383 16.178 ( 4.166 1.130 3.261) 5.410 16.470 ( 3.388 0.731 0.987) 3.604 16.506 ( -4.503 -2.595 5.391) 7.488 17.645 ( -4.192 -1.720 1.089) 4.660 17.873 ( 1.135 0.956 -3.021) 3.366 18.268 ( -3.154 -0.297 -0.591) 3.222 18.374 ( -3.177 -0.075 -8.735) 9.295 19.143 ( 7.175 0.516 1.637) 7.378 19.376 ( -19.598 -1.737 -4.758) 20.242 19.686 ( -6.999 -5.622 8.585) 12.422 21.404 ( 1.734 -2.452 4.709) 5.585 27.804 ( 0.289 -1.335 3.958) 4.187 28.592 ( 3.695 -0.921 4.538) 5.924 29.642 ( -0.993 0.658 -0.182) 1.205 29.772 ( 4.314 0.366 -3.698) 5.694 29.999 ( 1.844 -1.612 -2.886) 3.785 30.136 ( 0.032 -1.691 -0.461) 1.753 30.368 ( -4.747 -5.948 -0.389) 7.620 30.516 ( -1.926 -8.780 3.579) 9.675 30.837 ( 0.532 -3.045 4.998) 5.877 31.012 ( 3.089 -0.227 -0.726) 3.182 31.593 ( 0.232 6.542 -2.015) 6.849 32.333 ( -4.107 -9.447 4.282) 11.156 32.774 ( 11.278 13.432 -1.533) 17.605 33.682 ( -7.221 19.058 -19.087) 27.923 34.364 ( 10.225 25.864 6.932) 28.662 36.342 ( 6.174 15.836 -21.789) 27.634 ======================= Grid point 172 (79/160) ======================= q-point: (-0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -8.598 8.023 20.594) 23.715 1.330 ( 3.970 23.042 29.656) 37.765 1.917 ( -5.040 46.930 29.222) 55.513 2.217 ( 4.152 35.498 3.333) 35.895 2.240 ( -7.085 38.105 5.864) 39.199 2.778 ( -5.655 4.728 -13.965) 15.791 2.834 ( -1.594 22.356 -4.392) 22.839 3.205 ( 1.796 11.403 0.287) 11.547 3.254 ( 4.532 11.944 0.731) 12.795 3.366 ( -1.298 15.313 -10.145) 18.414 3.950 ( 0.580 -1.900 -4.706) 5.108 4.162 ( -8.234 -1.695 0.794) 8.444 4.179 ( -1.124 13.145 7.701) 15.276 4.524 ( 6.377 9.152 0.400) 11.162 4.554 ( 7.369 3.133 -5.833) 9.907 4.717 ( -5.423 1.926 -7.634) 9.560 5.063 ( 6.535 0.305 -2.759) 7.100 5.448 ( 0.178 -7.933 -2.112) 8.212 5.864 ( 6.568 -7.130 3.126) 10.185 6.150 ( 7.037 2.233 -0.105) 7.383 6.394 ( -6.485 -10.938 2.487) 12.957 6.631 ( -3.442 -2.313 -0.907) 4.245 6.727 ( 3.215 2.019 -1.136) 3.963 6.934 ( 5.191 -13.569 -4.227) 15.130 7.064 ( -2.260 -3.011 -3.072) 4.859 7.200 ( -4.978 -3.153 2.983) 6.605 7.577 ( 1.780 -3.837 2.688) 5.012 7.723 ( -2.956 -3.449 2.145) 5.024 7.929 ( -7.562 5.492 -0.262) 9.349 8.289 ( 6.246 1.493 4.339) 7.751 8.532 ( -2.367 5.646 -0.664) 6.158 8.601 ( -0.860 -5.979 3.191) 6.831 8.861 ( 3.092 -2.621 5.456) 6.796 9.143 ( -1.134 0.869 1.762) 2.268 9.586 ( -2.919 14.361 -2.204) 14.820 9.856 ( 5.312 8.903 3.858) 11.062 10.069 ( -1.959 10.353 -9.029) 13.876 10.195 ( 6.237 33.988 -17.619) 38.787 10.696 ( 2.716 9.385 -0.585) 9.787 11.201 ( -5.087 -1.402 -6.659) 8.496 11.623 ( 3.946 -3.273 2.476) 5.694 11.784 ( -1.298 -3.500 5.246) 6.439 12.813 ( 1.346 -0.368 -2.351) 2.734 13.412 ( 11.538 0.716 4.020) 12.239 13.684 ( -17.356 -12.787 -3.418) 21.827 13.981 ( 4.752 -0.159 0.892) 4.837 15.414 ( -3.986 -0.016 2.204) 4.555 15.622 ( 0.701 -1.204 4.052) 4.285 15.773 ( 2.463 -4.719 0.546) 5.351 15.967 ( -0.903 -3.125 -3.946) 5.114 16.030 ( 10.587 -4.335 -1.350) 11.519 16.238 ( 6.195 0.359 3.024) 6.903 16.423 ( -4.411 -0.501 -1.705) 4.756 16.599 ( 0.135 -0.530 4.823) 4.854 17.622 ( -4.982 0.200 0.222) 4.991 17.877 ( -1.965 -3.161 -0.477) 3.753 18.235 ( -1.789 -0.605 -1.934) 2.704 18.321 ( 1.109 -1.942 -6.944) 7.295 19.120 ( -4.952 0.842 -2.562) 5.638 19.330 ( -2.741 -2.232 7.471) 8.265 19.878 ( -0.025 -14.038 6.876) 15.632 21.506 ( 2.900 -2.006 7.494) 8.282 27.915 ( 5.162 -6.952 -1.571) 8.801 28.785 ( 12.827 -8.913 16.538) 22.749 29.619 ( -0.195 -0.348 -0.383) 0.553 29.804 ( 3.775 -2.537 -1.670) 4.845 30.036 ( 2.407 -2.110 -1.891) 3.718 30.165 ( 0.082 -1.819 0.019) 1.821 30.389 ( -2.920 -1.082 -1.272) 3.364 30.609 ( -1.905 1.851 1.075) 2.866 30.790 ( -2.668 15.523 0.265) 15.753 31.056 ( 10.820 0.777 3.853) 11.512 31.440 ( 0.140 5.068 -1.382) 5.255 32.494 ( -2.567 -9.533 0.835) 9.908 32.658 ( 5.356 7.320 -1.176) 9.147 33.104 ( -8.336 21.175 -22.435) 31.957 34.159 ( 21.812 19.040 11.987) 31.337 35.713 ( -31.424 24.109 -23.516) 46.062 ======================= Grid point 174 (80/160) ======================= q-point: ( 0.11 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 3.901 -0.000 16.834) 17.280 1.475 ( 13.122 -0.000 25.499) 28.677 1.840 ( -4.719 0.000 0.492) 4.745 2.096 ( 5.601 -0.000 2.112) 5.986 2.272 ( 4.490 -0.000 -19.440) 19.952 2.548 ( 1.051 -0.000 4.107) 4.239 2.843 ( -1.078 0.000 -11.561) 11.611 2.921 ( 13.951 -0.000 27.117) 30.495 3.124 ( 5.516 -0.000 -1.753) 5.788 3.414 ( -7.161 0.000 12.541) 14.442 3.625 ( -3.376 0.000 -11.713) 12.190 3.787 ( -10.741 0.000 -11.275) 15.573 4.059 ( -12.888 0.000 7.348) 14.836 4.275 ( 1.626 -0.000 -4.593) 4.872 4.511 ( 1.829 -0.000 -4.821) 5.156 4.758 ( 9.627 -0.000 0.594) 9.646 5.253 ( 5.884 -0.000 -12.929) 14.205 5.562 ( 4.908 -0.000 -2.945) 5.723 6.127 ( 0.220 -0.000 -5.932) 5.936 6.181 ( -7.679 0.000 4.745) 9.027 6.292 ( -6.989 0.000 0.246) 6.993 6.661 ( 5.520 -0.000 2.934) 6.251 6.679 ( -5.793 0.000 -2.492) 6.307 6.896 ( -2.095 0.000 3.749) 4.294 7.140 ( 2.884 -0.000 -3.105) 4.238 7.286 ( 6.884 -0.000 -0.939) 6.948 7.615 ( -4.529 0.000 1.117) 4.665 7.768 ( 5.203 -0.000 -0.483) 5.226 7.769 ( 3.292 -0.000 1.857) 3.779 8.510 ( 4.767 -0.000 -0.016) 4.767 8.581 ( 1.327 -0.000 2.184) 2.556 8.733 ( -5.493 0.000 0.418) 5.509 9.011 ( -0.974 0.000 -1.403) 1.708 9.131 ( -1.555 0.000 3.662) 3.978 9.293 ( -3.240 0.000 0.152) 3.243 9.517 ( -0.557 0.000 -4.249) 4.286 9.873 ( -3.145 0.000 -0.934) 3.281 9.971 ( 4.004 -0.000 0.490) 4.034 10.755 ( -1.120 0.000 -2.694) 2.918 10.992 ( 0.604 -0.000 1.817) 1.915 11.714 ( -0.849 0.000 0.095) 0.854 11.921 ( 1.318 -0.000 2.279) 2.633 12.734 ( -5.872 0.000 -0.702) 5.914 13.324 ( -9.560 0.000 6.223) 11.407 13.674 ( 7.865 -0.000 0.389) 7.875 13.978 ( -2.393 0.000 -1.371) 2.758 15.410 ( -3.051 0.000 7.433) 8.034 15.622 ( -3.814 0.000 -1.487) 4.094 15.845 ( 0.523 -0.000 0.550) 0.759 15.868 ( -1.086 0.000 -1.621) 1.951 16.161 ( 6.987 -0.000 -10.559) 12.661 16.276 ( -5.538 0.000 -0.644) 5.575 16.440 ( -5.646 0.000 7.593) 9.462 16.457 ( 5.973 -0.000 1.298) 6.112 17.649 ( 2.310 -0.000 -0.623) 2.393 17.922 ( 6.023 -0.000 -0.498) 6.044 18.172 ( -2.285 0.000 -1.844) 2.937 18.308 ( 4.972 -0.000 -4.022) 6.395 19.041 ( -7.808 0.000 2.090) 8.082 19.598 ( 6.841 -0.000 3.775) 7.814 20.060 ( -2.882 0.000 -6.904) 7.481 21.727 ( 0.659 -0.000 1.618) 1.747 27.913 ( 4.254 -0.000 -7.146) 8.316 29.330 ( -12.549 0.000 6.835) 14.289 29.622 ( -5.513 0.000 -6.522) 8.540 29.939 ( -0.808 0.000 -3.847) 3.931 30.076 ( -0.837 0.000 -3.469) 3.568 30.173 ( -1.262 0.000 0.088) 1.265 30.216 ( 0.845 -0.000 0.261) 0.884 30.544 ( 16.026 -0.000 -0.289) 16.028 30.684 ( 0.135 -0.000 2.063) 2.067 31.360 ( 0.579 -0.000 -3.768) 3.813 31.512 ( 21.269 -0.000 -6.655) 22.286 32.392 ( -4.524 0.000 -1.112) 4.659 32.567 ( -1.444 0.000 0.197) 1.457 32.630 ( 1.451 -0.000 0.092) 1.454 34.112 ( -41.648 0.000 2.108) 41.701 35.078 ( 24.960 -0.000 17.485) 30.475 ======================= Grid point 175 (81/160) ======================= q-point: ( 0.22 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 20.954 -4.482 9.843) 23.580 1.957 ( 2.669 -39.448 8.762) 40.497 2.081 ( 6.342 -16.896 -0.857) 18.067 2.260 ( -3.420 -27.886 -3.535) 28.316 2.539 ( 3.762 -35.972 -2.483) 36.253 2.734 ( 2.300 -12.886 4.163) 13.735 3.023 ( -5.038 -8.831 -8.855) 13.483 3.084 ( -2.302 -25.346 -2.157) 25.541 3.271 ( 8.520 -12.116 -2.516) 15.024 3.465 ( -5.925 -3.731 9.725) 11.983 3.606 ( -11.170 0.409 -10.596) 15.401 3.697 ( 9.768 -5.673 11.152) 15.874 4.110 ( -13.028 -12.674 6.051) 19.157 4.337 ( 8.187 -2.780 4.080) 9.560 4.555 ( -2.345 -9.915 -6.381) 12.022 4.834 ( 8.706 0.485 -0.500) 8.734 5.170 ( -0.268 -0.010 -12.955) 12.958 5.512 ( 5.393 7.766 -2.421) 9.760 6.001 ( -7.064 5.371 -7.329) 11.510 6.103 ( -4.463 0.190 -1.142) 4.611 6.255 ( -2.983 5.427 7.627) 9.824 6.615 ( -2.779 4.200 -0.840) 5.106 6.661 ( -3.167 1.232 -0.113) 3.400 6.810 ( 0.732 12.356 5.836) 13.684 7.094 ( 5.928 5.260 -3.160) 8.533 7.347 ( 7.418 -0.327 -1.020) 7.495 7.523 ( -4.608 4.490 0.830) 6.488 7.774 ( 1.467 2.020 3.910) 4.639 7.980 ( 5.601 -11.976 -1.517) 13.308 8.463 ( -6.620 9.639 -3.620) 12.241 8.511 ( 1.174 3.704 -1.276) 4.090 8.687 ( 5.978 -3.413 1.692) 7.088 8.965 ( -3.387 0.050 -0.726) 3.464 9.125 ( 1.471 0.065 2.881) 3.236 9.529 ( -5.533 -18.936 5.690) 20.531 9.710 ( -0.808 -22.045 -7.719) 23.371 9.956 ( -2.899 -14.002 -2.870) 14.584 10.069 ( 3.198 -7.170 1.214) 7.944 10.704 ( -3.879 -0.709 -3.774) 5.459 11.060 ( 4.292 -1.480 4.516) 6.404 11.665 ( -2.024 3.841 -0.930) 4.440 11.907 ( 1.297 4.271 0.692) 4.517 12.677 ( -6.276 0.803 0.832) 6.382 13.296 ( -6.238 1.216 5.526) 8.422 13.727 ( 8.076 1.952 0.918) 8.359 13.949 ( -3.048 -0.377 -1.661) 3.491 15.443 ( -2.044 0.237 6.778) 7.084 15.579 ( -4.055 0.425 -0.382) 4.095 15.800 ( -0.892 3.211 -1.877) 3.824 15.851 ( 1.757 2.982 1.860) 3.929 16.118 ( 2.704 1.341 -10.303) 10.736 16.222 ( -3.347 0.279 -1.645) 3.740 16.435 ( -1.938 1.214 4.112) 4.705 16.549 ( 2.268 -2.717 4.081) 5.402 17.675 ( 3.434 -0.807 -0.442) 3.555 17.950 ( 6.648 3.507 0.340) 7.524 18.128 ( -1.769 1.795 -0.006) 2.520 18.326 ( 6.691 -0.282 -3.277) 7.456 18.981 ( -6.830 0.794 1.293) 6.996 19.652 ( 5.084 3.004 4.550) 7.455 19.882 ( -3.947 8.506 -6.243) 11.265 21.690 ( -1.993 3.544 -1.011) 4.190 27.879 ( 4.192 2.809 -3.465) 6.121 29.089 ( -12.831 11.449 -3.822) 17.616 29.563 ( -1.387 0.411 0.736) 1.623 29.744 ( -1.913 7.056 -0.668) 7.341 30.023 ( -1.244 0.488 -2.958) 3.246 30.169 ( 0.612 3.136 -0.168) 3.200 30.423 ( 0.931 -7.425 -0.679) 7.514 30.687 ( 3.859 2.370 2.172) 5.022 30.762 ( 0.870 -12.653 0.924) 12.717 31.252 ( -1.470 7.732 -3.658) 8.679 31.616 ( 15.158 -1.889 -7.963) 17.226 32.383 ( -2.388 -0.408 2.700) 3.628 32.459 ( -7.321 7.526 2.653) 10.829 32.877 ( 8.038 -23.609 -3.549) 25.191 34.061 ( -29.243 -25.348 -1.656) 38.736 35.481 ( 20.887 -9.609 14.778) 27.331 ======================= Grid point 176 (82/160) ======================= q-point: ( 0.33 0.11 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 17.013 4.044 -12.888) 21.723 2.313 ( 8.471 -6.162 19.109) 21.792 2.462 ( -3.164 -11.983 -18.481) 22.252 2.942 ( 1.830 -23.529 4.617) 24.048 3.086 ( -2.411 -19.640 4.843) 20.371 3.128 ( 3.884 -36.120 5.346) 36.720 3.224 ( -0.709 -34.765 -4.251) 35.031 3.404 ( -6.663 -7.450 -10.408) 14.430 3.486 ( -9.702 -10.979 6.176) 15.900 3.596 ( 3.964 -19.810 2.304) 20.334 3.810 ( 4.902 -31.145 -3.792) 31.755 3.996 ( 6.459 -10.848 7.080) 14.475 4.342 ( -9.507 -20.580 1.806) 22.742 4.565 ( 7.868 -10.840 9.256) 16.281 4.712 ( -4.850 -17.068 -5.384) 18.542 4.852 ( 5.671 2.585 -2.172) 6.601 5.108 ( -2.403 -3.237 -7.455) 8.475 5.387 ( 6.206 9.296 -2.059) 11.365 5.823 ( -3.805 3.115 -5.822) 7.621 6.045 ( 2.348 8.325 1.726) 8.820 6.184 ( -6.042 2.492 5.233) 8.373 6.482 ( -2.068 6.682 1.919) 7.253 6.543 ( 1.224 15.986 -1.736) 16.126 6.647 ( -6.828 2.015 2.600) 7.580 7.039 ( 7.060 5.491 -3.276) 9.525 7.372 ( 4.677 2.730 -1.981) 5.766 7.420 ( -5.672 3.353 1.606) 6.782 7.750 ( 0.162 3.569 2.241) 4.218 8.158 ( 3.373 -5.076 -3.882) 7.226 8.308 ( -1.024 2.755 3.296) 4.416 8.450 ( -1.907 -0.625 -5.381) 5.743 8.838 ( 5.438 -3.382 1.420) 6.559 8.991 ( 0.271 -7.529 0.139) 7.535 9.167 ( 1.168 -1.862 0.430) 2.240 9.805 ( -7.917 -14.042 4.334) 16.693 10.024 ( -0.169 -19.372 -4.236) 19.831 10.202 ( -1.515 -15.931 -2.327) 16.171 10.292 ( 0.706 -18.255 -0.220) 18.270 10.703 ( -2.928 -5.263 -0.558) 6.049 11.141 ( 4.722 0.295 3.328) 5.785 11.552 ( -2.948 5.406 -1.807) 6.417 11.809 ( 0.965 8.354 -0.350) 8.416 12.622 ( -5.138 1.697 2.586) 5.997 13.243 ( -5.288 3.370 2.151) 6.629 13.757 ( 7.126 2.046 0.034) 7.414 13.913 ( -2.812 0.323 -1.814) 3.362 15.450 ( -2.200 1.210 2.565) 3.590 15.527 ( -2.902 2.917 1.289) 4.312 15.746 ( 1.280 2.231 1.433) 2.944 15.819 ( 1.805 3.403 0.896) 3.955 16.011 ( -1.864 3.486 -7.030) 8.066 16.189 ( -0.476 -0.062 -3.419) 3.453 16.443 ( -0.036 -0.449 2.168) 2.215 16.608 ( -1.030 -0.268 2.786) 2.982 17.722 ( 4.195 -0.706 0.098) 4.255 17.890 ( 3.162 6.552 -0.810) 7.320 18.127 ( 0.191 -1.757 1.835) 2.547 18.384 ( 8.593 -0.797 -1.595) 8.776 18.950 ( -2.185 -0.345 2.327) 3.211 19.627 ( -1.424 8.668 10.889) 13.990 19.723 ( 1.403 0.809 -9.663) 9.798 21.577 ( -3.784 4.830 -2.939) 6.803 27.848 ( 3.727 3.011 -0.073) 4.792 28.816 ( -7.399 6.251 -6.038) 11.414 29.575 ( -0.533 -0.929 2.589) 2.801 29.661 ( -1.980 0.889 -0.495) 2.226 29.991 ( -1.597 -0.494 -2.059) 2.652 30.110 ( 0.553 4.020 -0.247) 4.066 30.457 ( 4.094 4.100 -0.552) 5.820 30.652 ( 3.586 7.141 1.132) 8.071 30.877 ( -3.612 -1.339 2.071) 4.374 31.062 ( -1.883 9.012 -3.481) 9.843 31.721 ( 7.852 -2.655 -4.634) 9.496 32.286 ( -7.231 6.661 6.069) 11.554 32.469 ( -9.100 -13.522 0.640) 16.312 33.393 ( 9.252 -29.177 -3.143) 30.770 34.343 ( -17.043 -29.530 -3.835) 34.310 35.911 ( 14.585 -12.755 9.794) 21.710 ======================= Grid point 177 (83/160) ======================= q-point: ( 0.44 0.11 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 12.005 5.097 -10.797) 16.932 2.233 ( -6.731 5.225 -14.273) 16.623 2.735 ( 9.060 -7.803 16.874) 20.681 3.067 ( -5.086 -4.201 -9.532) 11.592 3.325 ( -5.123 -2.135 6.388) 8.463 3.482 ( 0.034 -18.467 1.657) 18.541 3.625 ( -0.883 -16.044 -0.511) 16.076 3.768 ( 4.807 -14.708 6.074) 16.623 3.850 ( 0.893 -29.696 3.942) 29.970 4.016 ( 1.012 -20.903 1.120) 20.958 4.211 ( 4.796 -12.587 0.395) 13.476 4.268 ( 1.019 -13.558 -0.352) 13.601 4.588 ( -4.837 -16.566 -7.750) 18.918 4.813 ( 2.899 1.721 0.082) 3.372 4.922 ( 0.184 -17.171 2.814) 17.401 4.983 ( -5.329 -18.567 -1.321) 19.361 5.115 ( -1.581 -2.834 -0.786) 3.339 5.338 ( 7.960 0.043 0.079) 7.961 5.770 ( 0.158 -1.822 -3.443) 3.898 5.859 ( 3.853 17.030 1.615) 17.535 6.130 ( -5.508 4.072 4.235) 8.054 6.265 ( 2.011 14.584 0.279) 14.725 6.456 ( -2.556 -3.876 2.746) 5.394 6.575 ( -6.813 0.608 -1.458) 6.994 6.969 ( 5.669 4.477 -6.054) 9.425 7.288 ( -3.493 2.957 -5.041) 6.808 7.366 ( 1.558 4.560 4.199) 6.392 7.710 ( -0.678 2.321 1.665) 2.936 8.192 ( 2.891 -1.553 -3.738) 4.974 8.322 ( -0.417 2.588 6.300) 6.824 8.435 ( -1.507 -4.413 -6.619) 8.097 8.879 ( 1.966 0.175 -0.688) 2.090 9.183 ( 4.309 -0.871 4.801) 6.510 9.249 ( 2.082 -13.776 -2.549) 14.164 9.942 ( -7.177 -8.316 0.357) 10.991 10.206 ( -1.888 -4.074 -1.838) 4.852 10.427 ( -1.020 -13.653 0.125) 13.692 10.653 ( 0.088 -21.485 2.004) 21.578 10.854 ( -0.440 -13.432 0.433) 13.446 11.155 ( 4.559 4.549 1.138) 6.541 11.428 ( -3.639 4.240 -2.123) 5.977 11.651 ( 0.596 10.045 -0.338) 10.068 12.569 ( -4.157 3.145 3.929) 6.527 13.123 ( -3.857 5.513 -2.776) 7.279 13.779 ( 4.449 0.778 -0.909) 4.607 13.870 ( -1.134 1.158 -1.192) 2.012 15.412 ( -1.203 1.944 -0.026) 2.287 15.468 ( -0.411 3.126 1.088) 3.336 15.731 ( -0.269 4.254 2.021) 4.718 15.815 ( 2.363 -2.355 0.214) 3.342 15.904 ( -2.627 1.827 -2.346) 3.967 16.165 ( 0.540 -0.053 -3.468) 3.510 16.471 ( 2.097 0.070 1.661) 2.676 16.579 ( -3.560 2.672 0.632) 4.496 17.730 ( 3.083 3.241 -0.365) 4.487 17.858 ( 3.211 -0.660 -0.173) 3.282 18.187 ( -0.081 -2.518 2.933) 3.866 18.444 ( 5.760 -0.483 -2.294) 6.219 18.990 ( 3.254 -0.597 4.548) 5.624 19.555 ( -2.577 4.323 5.512) 7.464 19.678 ( -1.281 0.364 -3.015) 3.296 21.442 ( -3.647 4.332 -3.377) 6.593 27.835 ( 2.650 2.422 1.524) 3.900 28.660 ( -3.450 2.727 -4.989) 6.651 29.603 ( -0.687 -1.068 1.385) 1.879 29.682 ( 0.283 -3.826 1.074) 3.984 29.993 ( -1.025 -2.390 -0.991) 2.783 30.039 ( 0.029 4.099 -0.668) 4.153 30.355 ( 1.705 9.215 -1.621) 9.510 30.520 ( 2.262 10.556 -0.934) 10.835 30.860 ( -1.640 0.912 -0.431) 1.926 30.911 ( -0.623 4.689 0.250) 4.736 31.718 ( 4.836 4.910 -2.499) 7.331 32.188 ( -6.903 3.885 6.290) 10.115 32.713 ( -8.174 -20.838 0.632) 22.393 33.886 ( 5.255 -22.101 -1.111) 22.745 34.662 ( -10.116 -22.385 -1.767) 24.628 36.271 ( 10.334 -11.767 3.622) 16.074 ======================= Grid point 178 (84/160) ======================= q-point: (-0.44 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 6.754 8.418 -5.066) 11.922 1.990 ( -3.552 9.088 -5.565) 11.233 2.878 ( -5.165 -0.195 -4.158) 6.634 3.114 ( 0.729 -5.858 11.586) 13.003 3.364 ( -0.779 -1.077 0.466) 1.408 3.667 ( 0.352 -4.954 -0.949) 5.057 3.875 ( 0.391 -4.773 2.561) 5.431 4.024 ( 1.421 -14.770 1.222) 14.888 4.211 ( -0.237 -9.396 2.330) 9.684 4.257 ( 1.357 -7.346 -0.035) 7.470 4.363 ( 0.905 0.380 0.566) 1.133 4.430 ( -0.091 -6.964 -0.381) 6.975 4.691 ( 0.440 -3.184 -5.296) 6.195 4.793 ( 2.519 4.041 2.109) 5.208 5.102 ( 1.009 -6.979 -5.712) 9.074 5.168 ( -0.582 -5.633 1.641) 5.896 5.206 ( -6.269 -8.594 0.610) 10.655 5.476 ( 6.091 -0.231 3.540) 7.049 5.587 ( -0.325 12.722 3.655) 13.241 5.781 ( 0.263 -0.367 -4.185) 4.209 6.082 ( -5.703 -0.380 -1.053) 5.812 6.140 ( 7.006 2.991 4.663) 8.932 6.441 ( -9.985 0.439 -1.792) 10.154 6.615 ( 2.903 -7.397 -2.050) 8.206 6.909 ( 4.174 2.529 -3.970) 6.291 7.173 ( -4.254 2.361 -4.159) 6.401 7.350 ( 2.876 2.026 2.147) 4.121 7.690 ( -0.834 1.293 2.951) 3.328 8.191 ( 1.139 3.351 -0.511) 3.576 8.300 ( 0.822 3.332 4.910) 5.991 8.472 ( -1.024 -5.824 -4.961) 7.718 8.880 ( 2.785 0.233 -3.227) 4.269 9.213 ( 0.483 0.600 1.877) 2.029 9.473 ( 2.687 -4.976 1.771) 5.926 9.992 ( -6.168 -4.463 -1.139) 7.698 10.184 ( 0.912 0.247 -0.837) 1.263 10.653 ( -0.649 -12.917 0.766) 12.956 10.992 ( 0.293 -7.242 0.846) 7.297 10.999 ( 2.270 -3.099 1.497) 4.123 11.146 ( 1.391 -2.498 -0.466) 2.897 11.328 ( -1.787 -0.076 -1.990) 2.676 11.512 ( 0.599 5.370 -1.089) 5.512 12.508 ( -3.846 3.245 5.320) 7.323 12.991 ( -0.632 3.971 -3.978) 5.657 13.752 ( -1.682 3.480 -0.041) 3.866 13.873 ( 3.508 -1.290 -1.128) 3.904 15.386 ( -0.078 0.779 0.198) 0.808 15.436 ( 0.810 0.630 -0.460) 1.125 15.652 ( -1.625 3.558 0.118) 3.913 15.852 ( -1.561 -0.042 -0.399) 1.611 15.931 ( 1.758 -5.250 1.658) 5.779 16.146 ( 1.750 0.380 -3.326) 3.777 16.478 ( 2.282 6.852 5.305) 8.961 16.504 ( -4.548 -2.018 -2.633) 5.630 17.699 ( 2.490 2.802 0.472) 3.778 17.907 ( 3.476 -1.191 -0.678) 3.736 18.239 ( -1.706 -1.714 2.839) 3.730 18.450 ( 1.255 -0.000 -5.212) 5.361 19.077 ( 7.308 0.230 5.918) 9.407 19.499 ( -4.178 1.180 -2.484) 5.001 19.639 ( -6.462 0.809 3.711) 7.496 21.344 ( -1.401 2.131 -1.401) 2.910 27.825 ( 0.678 1.815 1.370) 2.373 28.586 ( -0.294 1.217 -2.314) 2.631 29.632 ( 0.716 -1.433 1.050) 1.915 29.775 ( 1.024 -4.551 0.423) 4.684 29.971 ( -1.238 2.074 -1.461) 2.823 30.045 ( 0.196 -4.427 0.421) 4.452 30.201 ( 0.655 6.946 -2.131) 7.295 30.351 ( 0.613 8.611 -1.545) 8.770 30.809 ( -0.415 2.371 -0.981) 2.599 30.902 ( 0.006 -1.211 1.515) 1.940 31.648 ( 2.674 4.124 -1.759) 5.220 32.134 ( -5.988 1.337 6.025) 8.599 32.973 ( -3.386 -13.323 0.637) 13.761 34.168 ( 2.183 -8.255 -1.389) 8.651 34.879 ( -5.326 -9.844 2.200) 11.406 36.517 ( 8.482 -7.848 -3.625) 12.111 ======================= Grid point 179 (85/160) ======================= q-point: (-0.33 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 5.319 13.030 1.908) 14.203 1.803 ( -0.855 11.413 8.681) 14.365 2.770 ( -10.471 -0.606 -7.181) 12.712 3.259 ( 2.687 3.754 3.164) 5.597 3.346 ( 0.157 -0.705 3.496) 3.570 3.695 ( 1.071 3.335 2.612) 4.369 3.881 ( -1.138 2.397 -0.330) 2.674 4.045 ( -4.629 10.974 -5.364) 13.062 4.231 ( -3.203 11.897 1.250) 12.384 4.264 ( 1.391 7.864 2.613) 8.403 4.372 ( 1.331 -1.794 -5.650) 6.076 4.494 ( 1.399 -3.025 -1.439) 3.630 4.628 ( 2.716 8.393 1.779) 8.999 4.772 ( 0.853 2.299 1.403) 2.825 5.019 ( 1.211 11.462 -0.103) 11.526 5.225 ( -2.061 4.888 3.433) 6.318 5.249 ( -0.569 0.198 -0.510) 0.789 5.417 ( 3.884 -1.353 1.184) 4.280 5.584 ( 1.558 6.040 -3.393) 7.101 5.753 ( -1.850 -3.611 0.821) 4.139 6.065 ( -5.293 -8.297 -3.686) 10.509 6.286 ( 7.252 -3.508 7.000) 10.673 6.339 ( -8.352 -1.622 -4.824) 9.781 6.718 ( 1.394 -4.848 -5.715) 7.623 6.907 ( 6.620 0.240 -1.670) 6.832 7.100 ( -3.884 0.072 -0.131) 3.887 7.378 ( 0.949 -2.641 -0.175) 2.812 7.689 ( 0.026 2.185 5.199) 5.639 8.094 ( -1.847 7.563 3.073) 8.370 8.309 ( 4.212 1.605 2.539) 5.174 8.535 ( -0.292 -5.154 -2.362) 5.677 8.861 ( 1.241 1.042 -4.473) 4.757 9.190 ( -2.811 3.641 1.507) 4.840 9.416 ( 0.749 11.214 0.787) 11.267 10.009 ( -1.323 -2.363 -0.800) 2.823 10.250 ( 2.518 -2.594 1.548) 3.932 10.740 ( 1.549 8.835 -2.964) 9.447 10.928 ( -0.828 -1.323 1.717) 2.320 11.040 ( -1.312 5.572 0.460) 5.743 11.169 ( 0.611 -2.605 -4.686) 5.396 11.441 ( 4.295 -8.319 -6.000) 11.119 11.489 ( 0.113 -3.350 0.172) 3.357 12.535 ( -3.047 -5.428 8.691) 10.690 12.939 ( 1.771 0.602 0.097) 1.873 13.664 ( -2.585 4.611 0.923) 5.366 13.924 ( 3.743 -1.642 -0.810) 4.167 15.376 ( -0.712 -0.449 -0.762) 1.136 15.464 ( 1.743 -2.465 -0.014) 3.019 15.606 ( -1.807 1.194 2.217) 3.099 15.842 ( -1.807 -1.668 -2.024) 3.185 16.003 ( 3.013 0.776 -1.243) 3.351 16.162 ( 3.167 -2.628 -0.695) 4.174 16.411 ( -7.023 0.193 2.314) 7.397 16.509 ( 2.392 1.647 2.802) 4.035 17.679 ( 1.867 2.579 1.395) 3.476 17.926 ( 2.964 0.837 -2.543) 3.994 18.253 ( -3.582 -0.521 1.440) 3.895 18.395 ( -0.313 0.840 -7.839) 7.890 19.172 ( 8.180 0.634 3.815) 9.048 19.395 ( -10.075 2.075 -2.238) 10.527 19.606 ( -6.350 -0.344 3.692) 7.353 21.336 ( 1.255 -0.831 2.235) 2.695 27.803 ( -1.454 0.946 0.407) 1.782 28.580 ( 2.536 0.165 1.513) 2.958 29.669 ( 0.740 -0.217 1.698) 1.865 29.813 ( 3.579 0.825 -3.698) 5.212 29.943 ( -4.083 -2.570 -1.928) 5.196 30.093 ( 2.103 0.960 -2.455) 3.373 30.179 ( 0.757 -4.828 2.097) 5.318 30.266 ( -1.017 -0.675 0.911) 1.523 30.775 ( -0.177 1.140 1.635) 2.001 30.942 ( 0.195 -2.578 -0.564) 2.646 31.614 ( 1.430 0.248 -1.545) 2.119 32.139 ( -5.571 -2.152 6.401) 8.755 33.087 ( 0.865 -0.953 -0.557) 1.403 34.176 ( 1.173 6.881 -3.426) 7.776 34.928 ( -0.642 4.381 5.516) 7.073 36.600 ( 6.134 -0.990 -12.874) 14.295 ======================= Grid point 180 (86/160) ======================= q-point: (-0.22 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 3.510 15.708 5.560) 17.028 1.765 ( 6.899 10.905 27.798) 30.647 2.607 ( -12.764 1.387 -11.020) 16.919 3.127 ( 1.358 8.702 -4.447) 9.866 3.397 ( 2.427 5.831 8.281) 10.415 3.554 ( -1.340 20.803 2.455) 20.990 3.619 ( -1.298 23.035 -0.195) 23.072 3.811 ( -4.416 27.146 3.150) 27.682 3.845 ( -5.327 11.175 -3.959) 12.997 4.080 ( 0.250 14.997 0.739) 15.018 4.195 ( 0.281 13.130 -6.476) 14.643 4.387 ( 0.164 22.080 -2.621) 22.236 4.518 ( 5.916 0.106 -3.651) 6.953 4.732 ( -3.158 3.471 -0.781) 4.757 4.970 ( 3.315 17.381 4.524) 18.264 5.038 ( 1.497 0.771 3.050) 3.484 5.197 ( 0.422 4.726 0.952) 4.840 5.280 ( 2.427 18.166 -6.251) 19.364 5.580 ( 1.834 -8.156 -1.587) 8.509 5.888 ( -1.393 -11.604 2.672) 11.989 6.241 ( -3.031 -7.541 -1.854) 8.336 6.275 ( -5.445 -12.859 -2.792) 14.241 6.478 ( 5.713 -6.240 2.207) 8.743 6.716 ( -3.174 -2.091 -6.295) 7.353 6.979 ( 8.433 -1.535 -2.439) 8.912 7.098 ( -3.722 -2.265 2.597) 5.072 7.452 ( 0.237 -5.434 0.396) 5.453 7.690 ( 0.368 2.723 6.120) 6.708 7.988 ( -2.915 5.057 5.000) 7.686 8.350 ( 6.750 1.504 3.710) 7.847 8.577 ( 0.156 -1.423 -5.693) 5.870 8.806 ( -2.132 1.539 -0.938) 2.792 9.019 ( -5.432 11.767 0.755) 12.982 9.277 ( 3.690 7.322 1.016) 8.262 10.006 ( 0.263 3.498 0.428) 3.534 10.227 ( 0.569 9.256 3.071) 9.769 10.495 ( 1.045 15.878 -2.243) 16.069 10.796 ( -0.208 10.998 -2.126) 11.204 11.084 ( -0.062 -3.532 -4.294) 5.561 11.112 ( 2.715 1.678 -13.642) 14.010 11.503 ( 1.893 -2.373 -2.162) 3.727 11.599 ( 0.365 -6.743 1.489) 6.915 12.711 ( -1.926 -8.398 1.533) 8.752 13.054 ( 0.856 -10.651 9.040) 13.996 13.579 ( -1.296 4.449 1.602) 4.903 13.973 ( 3.622 -1.042 -0.145) 3.772 15.386 ( -1.500 -1.744 0.693) 2.403 15.539 ( 1.093 -5.242 0.402) 5.370 15.604 ( -0.774 0.436 3.650) 3.756 15.850 ( -1.697 -3.242 -4.368) 5.699 15.991 ( 5.182 1.655 -0.416) 5.455 16.241 ( 4.988 -1.356 1.962) 5.529 16.384 ( -8.614 -3.376 -1.777) 9.421 16.534 ( -0.364 0.379 6.614) 6.635 17.660 ( 0.806 2.352 1.743) 3.036 17.886 ( 0.932 2.534 -4.527) 5.271 18.214 ( -5.558 0.090 -2.258) 6.000 18.329 ( 2.873 1.196 -6.737) 7.421 19.188 ( -3.018 2.326 -4.962) 6.256 19.301 ( -4.335 0.932 8.826) 9.877 19.619 ( -1.198 -2.694 2.530) 3.885 21.414 ( 2.290 -2.817 5.406) 6.512 27.787 ( -1.864 -1.051 -0.253) 2.155 28.646 ( 4.636 -1.588 5.894) 7.665 29.650 ( -2.197 2.057 -0.167) 3.015 29.804 ( 6.089 1.285 -3.538) 7.159 29.951 ( -2.190 -3.513 -1.989) 4.593 30.094 ( 0.878 -1.499 -1.807) 2.507 30.261 ( -0.426 -3.455 0.477) 3.514 30.381 ( -1.023 -8.965 4.093) 9.909 30.811 ( 0.065 -3.286 3.801) 5.025 30.985 ( 0.961 -3.168 -0.995) 3.457 31.627 ( 1.371 -0.674 -1.416) 2.083 32.205 ( -5.579 -5.480 6.130) 9.936 33.018 ( 1.955 8.663 -1.999) 9.103 33.909 ( 2.043 20.905 -8.492) 22.656 34.822 ( 4.960 14.840 7.937) 17.545 36.413 ( -1.925 11.076 -23.888) 26.401 ======================= Grid point 181 (87/160) ======================= q-point: (-0.11 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 3.161 13.446 13.245) 19.137 1.919 ( 14.212 11.375 34.598) 39.094 2.381 ( -8.157 2.653 -14.454) 16.807 2.856 ( -1.067 30.169 5.492) 30.683 2.994 ( -5.909 45.760 5.295) 46.443 3.086 ( 1.265 28.940 4.926) 29.384 3.203 ( 0.197 31.474 0.259) 31.475 3.397 ( 1.848 9.659 7.714) 12.499 3.561 ( -3.102 18.288 -11.970) 22.076 3.742 ( -0.147 27.747 -1.736) 27.802 3.963 ( 5.201 8.786 -4.630) 11.210 4.051 ( -10.623 5.282 -6.255) 13.412 4.487 ( -0.131 14.410 3.296) 14.783 4.582 ( -7.646 4.909 -9.041) 12.818 4.640 ( 3.589 8.683 -0.147) 9.397 4.891 ( 5.136 20.764 -4.311) 21.820 5.148 ( 9.807 2.061 1.741) 10.171 5.274 ( 2.135 -11.333 -1.324) 11.609 5.769 ( 4.152 -10.860 1.364) 11.706 6.123 ( 0.704 -13.206 1.328) 13.291 6.232 ( -5.865 -1.681 2.519) 6.600 6.516 ( -1.523 -10.290 -3.247) 10.897 6.638 ( 0.336 -7.617 -3.457) 8.372 6.720 ( 0.222 -9.218 -1.064) 9.282 6.982 ( -4.549 -0.396 -3.456) 5.727 7.173 ( 5.694 -2.268 1.770) 6.379 7.565 ( 1.399 -5.615 1.985) 6.118 7.683 ( -3.139 1.589 4.472) 5.690 7.966 ( -1.046 1.393 5.982) 6.230 8.419 ( 8.618 1.907 5.830) 10.579 8.486 ( -1.742 2.186 -7.837) 8.320 8.707 ( -4.091 7.825 -2.393) 9.149 8.896 ( 0.496 1.112 6.712) 6.822 9.196 ( 0.271 5.141 0.007) 5.148 9.841 ( -2.757 15.750 1.880) 16.100 10.077 ( 2.802 10.045 2.100) 10.638 10.215 ( -0.608 15.289 -2.555) 15.513 10.555 ( 4.529 17.692 -13.387) 22.644 10.857 ( 0.553 10.855 -10.245) 14.936 11.106 ( -3.223 -0.783 -3.907) 5.125 11.577 ( 0.949 -5.284 1.059) 5.472 11.736 ( 0.703 -6.199 3.818) 7.315 12.777 ( -1.237 -2.643 -1.972) 3.522 13.320 ( -10.937 -14.042 4.411) 18.337 13.531 ( 4.949 3.095 1.617) 6.057 14.010 ( 2.108 -0.291 -0.164) 2.134 15.400 ( -3.956 -0.311 3.468) 5.270 15.627 ( -0.012 -1.208 2.759) 3.012 15.688 ( 2.844 -8.139 0.410) 8.631 15.855 ( -2.612 -3.750 -4.757) 6.596 16.049 ( 7.973 -1.887 -0.075) 8.193 16.312 ( 4.638 0.143 0.730) 4.698 16.353 ( -4.359 -1.976 -0.893) 4.869 16.557 ( -8.662 -0.902 5.028) 10.057 17.642 ( 1.258 1.805 1.467) 2.644 17.828 ( -0.485 -0.352 -2.477) 2.548 18.168 ( -2.731 -1.774 -2.592) 4.162 18.301 ( 5.217 1.025 -5.601) 7.722 19.086 ( -6.318 1.160 1.414) 6.577 19.367 ( 1.447 -2.355 6.591) 7.147 19.732 ( 3.903 -7.847 1.966) 8.982 21.532 ( 2.117 -3.539 6.839) 7.987 27.820 ( 0.551 -4.532 -2.132) 5.039 28.814 ( 5.483 -7.240 10.747) 14.070 29.600 ( -1.715 0.451 -1.074) 2.073 29.803 ( 1.491 0.165 -2.204) 2.666 30.003 ( 2.411 -3.241 -0.880) 4.134 30.120 ( -0.123 -2.650 -1.634) 3.115 30.311 ( -0.014 -3.236 -0.346) 3.255 30.542 ( -0.864 -6.800 3.097) 7.522 30.901 ( -1.935 -1.634 4.679) 5.320 31.078 ( 4.113 -6.308 0.338) 7.538 31.592 ( 3.443 6.906 -1.885) 7.943 32.318 ( -4.832 -8.440 3.820) 10.449 32.823 ( -2.931 11.265 -2.611) 11.930 33.398 ( 5.445 30.749 -16.628) 35.378 34.674 ( 10.396 16.214 9.973) 21.690 35.806 ( -17.980 29.108 -24.921) 42.327 ======================= Grid point 184 (88/160) ======================= q-point: ( 0.22 0.22 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 4.558 -0.000 -0.381) 4.574 1.753 ( -1.248 0.000 1.911) 2.283 2.031 ( 18.948 -0.000 -10.178) 21.509 2.168 ( 3.155 -0.000 -2.584) 4.078 2.219 ( 9.235 -0.000 16.451) 18.866 2.670 ( 1.652 -0.000 -4.511) 4.804 2.723 ( 0.511 -0.000 7.393) 7.410 2.869 ( -3.627 0.000 -18.980) 19.323 3.228 ( 9.119 -0.000 -0.787) 9.153 3.345 ( -11.060 0.000 -12.071) 16.372 3.528 ( -9.433 0.000 8.280) 12.551 3.888 ( 11.776 -0.000 17.246) 20.883 3.924 ( -14.276 0.000 5.504) 15.300 4.393 ( -4.882 0.000 -7.114) 8.628 4.447 ( 10.479 -0.000 8.606) 13.560 4.898 ( 7.082 -0.000 -1.711) 7.285 5.070 ( 0.124 -0.000 -10.487) 10.487 5.615 ( 6.535 -0.000 -2.158) 6.882 5.894 ( -14.988 0.000 -5.681) 16.029 6.047 ( -0.368 0.000 -3.450) 3.470 6.367 ( -2.365 0.000 8.499) 8.822 6.491 ( -10.263 0.000 -4.622) 11.256 6.795 ( 5.836 -0.000 1.690) 6.076 6.939 ( -4.947 0.000 7.036) 8.601 7.128 ( 2.807 -0.000 -5.073) 5.798 7.407 ( 7.343 -0.000 0.597) 7.367 7.599 ( 1.283 -0.000 0.940) 1.590 7.837 ( 1.789 -0.000 1.710) 2.474 7.888 ( 7.618 -0.000 1.997) 7.876 8.392 ( -9.408 0.000 -9.132) 13.111 8.589 ( 6.731 -0.000 -2.179) 7.075 8.733 ( -2.882 0.000 1.473) 3.237 8.931 ( -2.923 0.000 -2.634) 3.935 9.210 ( 2.038 -0.000 3.699) 4.223 9.268 ( -3.752 0.000 4.005) 5.488 9.464 ( -1.092 0.000 -0.955) 1.450 9.800 ( -2.956 0.000 -1.598) 3.360 10.047 ( 3.940 -0.000 0.826) 4.025 10.626 ( -5.014 0.000 -3.955) 6.386 11.135 ( 6.192 -0.000 5.972) 8.602 11.662 ( -3.746 0.000 -2.454) 4.478 11.958 ( 1.734 -0.000 -0.333) 1.766 12.646 ( -5.242 0.000 2.081) 5.640 13.276 ( -7.019 0.000 1.485) 7.174 13.823 ( 6.274 -0.000 2.873) 6.901 13.917 ( -1.595 0.000 -0.788) 1.779 15.468 ( -2.536 0.000 3.182) 4.069 15.568 ( -2.100 0.000 3.369) 3.970 15.805 ( -1.369 0.000 -1.240) 1.847 15.909 ( 1.761 -0.000 2.661) 3.191 16.083 ( 4.681 -0.000 -11.550) 12.462 16.166 ( -5.417 0.000 -1.817) 5.713 16.448 ( -6.987 0.000 3.770) 7.939 16.562 ( 4.927 -0.000 0.580) 4.961 17.701 ( 5.017 -0.000 0.062) 5.017 18.034 ( 5.562 -0.000 1.239) 5.698 18.141 ( -2.156 0.000 0.446) 2.202 18.373 ( 9.349 -0.000 -0.653) 9.372 18.952 ( -3.364 0.000 1.552) 3.705 19.721 ( 5.300 -0.000 -2.983) 6.082 19.885 ( -9.341 0.000 1.401) 9.445 21.680 ( -3.409 0.000 -4.033) 5.281 27.914 ( 4.108 -0.000 -2.620) 4.872 29.005 ( -16.272 0.000 -10.507) 19.369 29.571 ( -1.092 0.000 3.181) 3.363 29.863 ( -2.788 0.000 -2.369) 3.659 29.995 ( -2.080 0.000 -2.804) 3.492 30.153 ( -1.265 0.000 0.059) 1.266 30.230 ( 0.630 -0.000 -0.065) 0.633 30.722 ( 4.434 -0.000 1.154) 4.582 30.768 ( 7.101 -0.000 1.719) 7.306 31.264 ( -3.514 0.000 -5.258) 6.325 31.680 ( 15.953 -0.000 -12.588) 20.321 32.491 ( 3.828 -0.000 13.098) 13.646 32.546 ( -1.347 0.000 0.131) 1.354 32.653 ( 1.349 -0.000 -0.220) 1.367 33.553 ( -28.933 0.000 -0.218) 28.934 35.675 ( 17.796 -0.000 13.650) 22.428 ======================= Grid point 185 (89/160) ======================= q-point: ( 0.33 0.22 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 6.201 -23.058 -12.717) 27.053 2.019 ( 6.851 -8.897 -16.534) 19.987 2.266 ( 5.832 -45.373 3.859) 45.909 2.478 ( 6.359 -18.388 12.872) 23.329 2.576 ( 9.403 -22.972 8.751) 26.319 2.736 ( 0.292 -11.033 -14.585) 18.290 2.833 ( 1.205 -11.088 2.220) 11.372 3.060 ( -3.013 -25.049 2.027) 25.311 3.197 ( -8.305 -9.981 -13.652) 18.840 3.408 ( 10.876 -12.803 -1.549) 16.870 3.496 ( -9.801 1.962 11.583) 15.300 3.969 ( -11.659 -12.044 4.125) 17.263 4.081 ( 7.273 -1.807 10.359) 12.786 4.376 ( -6.507 -9.768 -6.484) 13.409 4.572 ( 2.645 -2.810 1.096) 4.012 4.891 ( 2.396 1.297 -4.704) 5.436 5.099 ( 10.219 -0.235 5.360) 11.542 5.580 ( 5.939 7.984 -1.547) 10.070 5.748 ( -8.949 -0.229 -4.521) 10.029 6.054 ( 0.022 -2.710 -1.040) 2.903 6.281 ( -6.942 6.605 1.376) 9.680 6.457 ( -7.975 -3.293 -0.042) 8.628 6.715 ( 2.171 11.570 2.573) 12.050 6.876 ( -1.208 10.689 3.308) 11.254 7.081 ( 0.096 1.905 -5.221) 5.558 7.431 ( 0.518 4.058 0.037) 4.091 7.542 ( 6.711 6.787 1.954) 9.743 7.833 ( 0.414 2.919 1.888) 3.501 8.071 ( 5.767 -8.173 1.527) 10.119 8.258 ( -5.460 -0.859 -6.988) 8.909 8.526 ( -1.060 9.043 0.787) 9.138 8.776 ( 6.309 -8.459 -1.926) 10.727 8.891 ( -1.385 -0.675 -2.588) 3.012 9.200 ( 2.154 1.218 1.864) 3.098 9.493 ( -8.995 -17.148 4.992) 19.997 9.637 ( 0.305 -19.464 -1.861) 19.555 9.887 ( -1.525 -13.799 -0.968) 13.917 10.134 ( 2.882 -5.862 1.183) 6.639 10.596 ( -3.855 -3.518 -1.320) 5.383 11.224 ( 5.988 0.551 4.997) 7.818 11.575 ( -4.808 3.126 -3.703) 6.826 11.927 ( 1.695 4.704 -1.099) 5.119 12.623 ( -4.081 0.572 3.234) 5.238 13.206 ( -8.248 0.070 -3.428) 8.933 13.863 ( 2.999 1.315 1.919) 3.796 13.902 ( 1.569 2.019 0.114) 2.559 15.450 ( -2.878 0.430 -0.073) 2.911 15.572 ( -1.649 1.834 3.949) 4.656 15.778 ( -0.170 0.946 -0.203) 0.982 15.913 ( 1.776 3.550 2.502) 4.692 16.008 ( 1.183 2.915 -8.117) 8.706 16.130 ( -2.404 -1.744 -3.946) 4.939 16.416 ( -5.404 -1.353 0.925) 5.647 16.613 ( 2.847 -1.006 0.174) 3.024 17.755 ( 5.957 -0.564 0.817) 6.039 18.024 ( 1.081 6.461 -1.433) 6.706 18.123 ( -0.481 -0.760 3.390) 3.507 18.450 ( 8.255 0.420 0.417) 8.277 18.971 ( 4.135 -0.227 3.286) 5.287 19.694 ( 0.535 1.974 -6.746) 7.049 19.795 ( -6.465 5.644 8.734) 12.244 21.588 ( -3.638 3.197 -4.801) 6.819 27.915 ( 3.319 1.711 -0.971) 3.858 28.779 ( -8.469 3.558 -9.438) 13.171 29.588 ( -0.784 0.029 3.952) 4.029 29.706 ( -1.244 6.948 -0.891) 7.115 29.963 ( -1.392 0.185 -1.301) 1.914 30.173 ( 0.604 2.770 -0.577) 2.893 30.394 ( -2.768 -13.900 0.004) 14.173 30.782 ( 1.991 -0.416 2.611) 3.310 30.814 ( 5.074 0.368 -0.421) 5.105 31.141 ( -3.272 5.724 -5.336) 8.483 31.687 ( 10.279 -0.531 -9.800) 14.212 32.360 ( -6.995 10.943 1.831) 13.116 32.463 ( -0.763 8.359 6.563) 10.655 33.013 ( 7.418 -25.076 5.726) 26.770 33.654 ( -17.537 -30.115 -2.173) 34.917 35.925 ( 10.469 -5.889 8.067) 14.469 ======================= Grid point 186 (90/160) ======================= q-point: ( 0.44 0.22 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 13.186 2.406 -11.182) 17.456 2.140 ( 3.179 -3.757 -15.709) 16.462 2.836 ( 9.788 -5.783 18.922) 22.075 2.878 ( -6.833 -5.881 -7.694) 11.853 3.083 ( -1.003 -29.656 -5.394) 30.159 3.109 ( 1.756 -31.441 -3.813) 31.720 3.216 ( -2.482 -23.926 -2.606) 24.195 3.332 ( 5.530 -41.773 7.117) 42.734 3.499 ( -5.774 -6.343 13.959) 16.384 3.660 ( -0.406 -25.656 0.270) 25.661 3.860 ( 8.510 -30.968 -2.888) 32.245 4.089 ( -7.972 -7.890 -1.089) 11.269 4.274 ( 2.029 -12.035 2.490) 12.456 4.527 ( -6.746 -18.754 -3.642) 20.260 4.642 ( -2.918 -10.231 -3.545) 11.214 4.867 ( 1.409 0.985 -1.422) 2.231 5.227 ( 8.361 4.330 9.696) 13.516 5.483 ( 7.661 6.198 0.800) 9.887 5.703 ( -1.082 -1.760 -2.684) 3.387 6.093 ( -11.791 -0.150 2.352) 12.024 6.111 ( 4.283 6.127 -3.139) 8.108 6.418 ( -5.539 0.862 -0.155) 5.608 6.541 ( -0.053 11.392 2.293) 11.620 6.652 ( -0.302 15.005 2.659) 15.241 6.992 ( -2.368 2.547 -4.674) 5.826 7.294 ( -3.064 6.404 -3.707) 8.009 7.517 ( 7.102 6.177 -0.318) 9.418 7.793 ( 0.242 3.714 3.843) 5.349 8.179 ( 3.942 -1.274 -1.224) 4.320 8.265 ( 0.048 -5.038 -4.051) 6.465 8.431 ( -2.021 2.483 4.189) 5.273 8.871 ( 0.889 -0.799 -2.212) 2.514 9.030 ( 5.551 -13.255 -2.168) 14.533 9.222 ( 3.212 -0.953 1.125) 3.534 9.686 ( -11.746 -13.058 2.099) 17.688 9.991 ( 2.026 -18.918 -1.535) 19.088 10.189 ( -0.151 -17.519 2.469) 17.692 10.323 ( 0.641 -15.786 2.180) 15.949 10.666 ( -2.498 -7.784 1.776) 8.366 11.273 ( 5.098 2.546 2.760) 6.332 11.442 ( -4.885 4.125 -3.946) 7.513 11.815 ( 1.106 8.697 -1.298) 8.862 12.601 ( -4.005 1.442 3.764) 5.682 13.094 ( -6.851 0.896 -7.526) 10.216 13.863 ( 1.953 2.804 1.640) 3.790 13.877 ( 2.753 1.963 -1.171) 3.578 15.415 ( -2.094 0.706 -1.010) 2.430 15.525 ( -1.560 3.600 0.518) 3.958 15.787 ( 0.580 -1.204 1.675) 2.143 15.847 ( 0.920 5.912 -1.445) 6.156 15.920 ( -0.363 3.106 -1.044) 3.297 16.122 ( -0.125 -1.888 -4.086) 4.503 16.420 ( -3.491 -2.746 -0.985) 4.549 16.632 ( 2.035 1.317 0.532) 2.482 17.816 ( 6.019 1.231 1.376) 6.296 17.903 ( 1.132 4.700 -1.328) 5.014 18.175 ( -0.510 -1.544 4.455) 4.742 18.475 ( 3.001 1.424 -1.985) 3.870 19.064 ( 8.918 -0.558 4.018) 9.798 19.602 ( -0.877 4.189 -1.055) 4.408 19.715 ( -7.581 3.933 5.616) 10.221 21.466 ( -2.087 4.286 -3.536) 5.935 27.897 ( 1.799 2.231 -0.627) 2.934 28.640 ( -1.734 1.924 -5.121) 5.738 29.604 ( -1.014 0.544 2.086) 2.383 29.650 ( 0.294 -0.863 1.577) 1.821 29.953 ( -0.232 -0.695 -0.609) 0.953 30.109 ( -0.037 4.296 -0.162) 4.299 30.475 ( -0.025 2.723 -0.855) 2.854 30.712 ( 3.394 10.073 -1.891) 10.796 30.851 ( -2.541 -0.476 -0.059) 2.586 30.988 ( -0.458 5.312 -1.897) 5.659 31.775 ( 7.886 -4.015 -4.911) 10.120 32.192 ( -11.832 0.044 3.250) 12.271 32.407 ( -3.056 -1.758 2.835) 4.524 33.567 ( 7.890 -24.844 8.268) 27.347 34.087 ( -9.813 -33.321 -1.661) 34.775 36.152 ( 4.021 -10.361 0.210) 11.116 ======================= Grid point 187 (91/160) ======================= q-point: ( 0.56 0.22 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 14.062 5.656 -3.159) 15.482 2.064 ( 3.924 3.723 -6.946) 8.804 2.759 ( -10.173 -0.308 -7.823) 12.837 3.121 ( 2.673 -6.636 14.665) 16.317 3.339 ( 1.986 -6.483 -1.978) 7.063 3.473 ( -2.871 -12.562 1.006) 12.925 3.604 ( -2.528 -22.722 -1.307) 22.900 3.793 ( 0.691 -18.847 2.871) 19.077 3.992 ( -0.146 -14.928 -1.441) 14.998 4.043 ( 2.429 -21.577 3.336) 21.968 4.171 ( -5.424 -17.781 -2.807) 18.801 4.319 ( 1.640 -12.623 1.354) 12.801 4.530 ( 7.679 -14.405 -3.918) 16.787 4.805 ( -1.917 -9.877 -1.281) 10.143 4.842 ( -2.674 -18.638 -0.083) 18.829 4.917 ( -1.237 -13.760 0.155) 13.816 5.195 ( 1.712 6.716 5.494) 8.844 5.547 ( 8.775 0.292 4.935) 10.072 5.702 ( -2.315 -0.442 -3.487) 4.209 5.910 ( 2.066 11.448 -4.665) 12.533 6.037 ( -7.561 4.279 2.602) 9.069 6.322 ( 0.598 7.960 3.501) 8.716 6.399 ( -6.378 6.027 -0.420) 8.785 6.536 ( 4.472 -1.979 -0.493) 4.915 6.915 ( -4.182 0.666 -0.556) 4.271 7.154 ( -1.916 3.766 -4.679) 6.305 7.430 ( 4.113 5.828 -5.997) 9.319 7.781 ( 1.254 3.296 6.951) 7.795 8.216 ( 3.441 -0.578 -1.705) 3.883 8.334 ( 1.684 -5.629 -3.160) 6.671 8.417 ( -0.869 3.198 6.457) 7.258 8.862 ( 0.708 -0.303 -4.543) 4.608 9.183 ( -0.271 -4.040 -2.011) 4.521 9.389 ( 6.650 -10.483 3.196) 12.819 9.801 ( -9.247 -9.969 0.520) 13.607 10.173 ( 0.861 -2.864 -1.752) 3.466 10.451 ( 0.856 -12.814 3.532) 13.320 10.712 ( -0.089 -21.778 5.780) 22.532 10.853 ( -0.306 -13.813 0.274) 13.819 11.251 ( 4.949 6.859 1.012) 8.519 11.321 ( -4.581 1.945 -3.052) 5.838 11.646 ( 0.158 10.112 -1.183) 10.182 12.555 ( -4.857 2.585 2.832) 6.188 12.981 ( -1.865 0.882 -7.388) 7.671 13.822 ( 0.520 4.356 1.107) 4.525 13.878 ( 3.366 -0.180 -1.091) 3.543 15.382 ( -1.568 0.407 -1.416) 2.151 15.456 ( -0.852 2.352 -1.251) 2.797 15.729 ( -0.294 5.773 -0.538) 5.805 15.864 ( 0.981 -4.822 1.323) 5.096 15.869 ( -0.869 2.898 1.607) 3.426 16.127 ( 1.330 -1.372 -3.624) 4.097 16.411 ( -3.360 -1.129 -4.273) 5.552 16.620 ( 2.108 3.262 3.375) 5.146 17.791 ( 3.687 4.541 0.719) 5.893 17.916 ( 3.490 -1.027 0.462) 3.667 18.220 ( -2.324 -1.289 4.125) 4.907 18.432 ( 0.420 1.668 -5.458) 5.722 19.165 ( 7.098 -0.652 1.063) 7.207 19.524 ( -2.736 5.576 3.955) 7.363 19.628 ( -7.329 1.434 2.597) 7.907 21.376 ( 0.286 3.086 -0.939) 3.239 27.858 ( -0.347 2.158 -1.643) 2.734 28.597 ( 1.857 0.822 -1.147) 2.332 29.617 ( 0.330 -1.570 0.923) 1.851 29.712 ( -0.295 -3.499 2.768) 4.471 29.969 ( 0.877 -0.837 -2.431) 2.717 30.041 ( -0.564 2.732 2.350) 3.648 30.338 ( 0.284 10.043 -2.465) 10.345 30.514 ( 0.802 11.611 -3.685) 12.209 30.810 ( -0.661 0.473 -2.179) 2.326 30.935 ( 0.109 2.660 2.103) 3.393 31.759 ( 4.135 6.665 -2.214) 8.150 32.155 ( -6.883 1.254 5.077) 8.644 32.608 ( -5.015 -22.099 0.351) 22.664 34.031 ( 6.044 -14.908 7.963) 17.949 34.547 ( -4.168 -26.379 2.153) 26.793 36.338 ( 0.486 -12.134 -7.470) 14.257 ======================= Grid point 188 (92/160) ======================= q-point: (-0.33 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 11.100 9.804 -5.083) 15.658 2.049 ( 7.744 5.388 13.346) 16.344 2.633 ( -10.692 0.264 -4.265) 11.515 3.306 ( -2.649 -2.992 1.673) 4.333 3.367 ( 3.090 0.386 6.549) 7.252 3.651 ( -1.172 -8.246 -2.565) 8.714 3.763 ( -7.255 -7.681 -6.749) 12.537 4.035 ( -1.836 -9.358 2.650) 9.898 4.195 ( 0.910 -8.296 -3.432) 9.024 4.268 ( -0.351 -4.849 -4.433) 6.580 4.369 ( 0.056 1.730 0.767) 1.893 4.392 ( -1.797 -8.275 0.208) 8.470 4.712 ( 5.295 -3.458 -0.376) 6.335 4.907 ( 2.732 1.254 -0.611) 3.068 5.116 ( 4.089 -8.735 2.026) 9.855 5.153 ( -2.659 -7.870 4.485) 9.441 5.190 ( 2.135 -3.420 2.541) 4.765 5.597 ( -4.112 -0.089 0.583) 4.154 5.629 ( 3.797 9.669 5.274) 11.650 5.694 ( 1.990 4.527 -7.476) 8.963 5.985 ( -2.744 0.178 1.607) 3.185 6.187 ( -9.921 2.393 -5.832) 11.755 6.352 ( 3.024 -0.979 4.809) 5.765 6.636 ( 4.308 -3.845 -3.673) 6.844 6.909 ( -1.472 -2.435 1.979) 3.466 7.070 ( -1.997 1.303 -2.074) 3.160 7.342 ( 2.211 1.127 -6.269) 6.743 7.793 ( 0.886 2.717 7.211) 7.757 8.200 ( 0.282 4.020 -0.545) 4.066 8.410 ( 1.095 -0.849 2.230) 2.626 8.436 ( 4.872 -1.914 1.269) 5.386 8.830 ( -0.460 -0.295 -5.698) 5.724 9.197 ( -2.818 -0.258 -1.006) 3.003 9.556 ( 1.259 0.912 3.214) 3.570 9.900 ( -2.001 -7.870 -0.294) 8.126 10.198 ( 1.345 -3.587 -0.678) 3.891 10.685 ( 1.047 -9.748 3.046) 10.266 10.992 ( -0.472 -2.544 -0.985) 2.769 11.054 ( 0.898 -8.019 2.234) 8.373 11.155 ( -0.075 5.966 -0.060) 5.967 11.296 ( 0.991 -4.783 -0.858) 4.959 11.494 ( -0.011 5.005 -1.871) 5.343 12.505 ( -4.353 -0.199 2.901) 5.235 12.940 ( 1.312 -0.662 -2.968) 3.312 13.749 ( -0.011 5.175 1.277) 5.330 13.915 ( 2.871 -1.702 -0.728) 3.417 15.353 ( -1.479 0.124 -1.409) 2.047 15.432 ( -0.445 -1.189 -1.205) 1.750 15.655 ( 0.165 3.002 1.427) 3.328 15.822 ( -1.849 2.074 0.430) 2.811 15.978 ( 0.818 -5.494 1.338) 5.714 16.138 ( 2.437 -1.203 -2.852) 3.939 16.344 ( -3.464 0.666 -5.970) 6.934 16.614 ( 1.124 3.106 5.649) 6.544 17.759 ( 2.167 3.397 1.474) 4.291 17.945 ( 1.945 0.480 -0.933) 2.209 18.230 ( -4.186 0.181 2.129) 4.700 18.365 ( 2.349 1.209 -7.351) 7.811 19.203 ( 1.563 -0.834 -3.242) 3.694 19.401 ( -12.987 4.598 4.907) 14.625 19.619 ( 5.127 1.876 3.782) 6.642 21.360 ( 1.826 0.200 1.903) 2.645 27.800 ( -2.026 1.516 -2.447) 3.520 28.619 ( 3.451 -0.290 1.926) 3.963 29.670 ( 0.585 -2.261 2.357) 3.318 29.779 ( -1.243 -3.209 0.031) 3.441 29.917 ( 0.188 3.235 -2.898) 4.347 30.093 ( 1.688 -3.811 2.910) 5.084 30.173 ( 0.067 5.474 -2.238) 5.915 30.322 ( 0.222 7.546 -3.086) 8.155 30.800 ( 0.323 0.135 -0.252) 0.431 30.914 ( -0.540 0.499 0.549) 0.918 31.661 ( 1.915 4.935 -1.813) 5.595 32.124 ( -5.588 0.437 5.771) 8.044 32.925 ( -2.067 -15.913 -0.395) 16.052 34.261 ( 4.236 -1.388 5.341) 6.957 34.902 ( 1.168 -12.551 6.122) 14.013 36.436 ( -1.583 -8.363 -14.360) 16.693 ======================= Grid point 189 (93/160) ======================= q-point: (-0.22 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 8.791 12.160 -2.111) 15.153 2.181 ( 11.391 5.153 23.977) 27.041 2.493 ( -9.288 4.037 -2.500) 10.431 3.231 ( 0.563 5.139 -2.059) 5.564 3.479 ( -1.357 -1.796 5.382) 5.834 3.632 ( -10.713 -1.389 -6.023) 12.369 3.784 ( -0.458 -0.724 -3.293) 3.402 3.917 ( -2.252 16.603 -5.178) 17.537 4.185 ( -0.144 6.162 -2.138) 6.524 4.283 ( -0.628 6.496 0.313) 6.534 4.330 ( 2.285 5.371 -2.199) 6.237 4.460 ( -1.130 -4.114 -0.751) 4.332 4.712 ( 3.407 12.177 -2.365) 12.864 4.788 ( -0.785 5.959 0.733) 6.055 5.077 ( -0.785 5.706 2.701) 6.361 5.266 ( 5.037 6.691 2.485) 8.736 5.336 ( 4.945 -0.587 5.317) 7.285 5.475 ( 0.508 1.659 -1.595) 2.357 5.568 ( 2.520 11.938 -1.088) 12.250 5.725 ( -2.354 -10.099 1.089) 10.427 5.993 ( 2.182 -4.493 -3.417) 6.052 6.092 ( -11.659 -6.511 -2.318) 13.554 6.467 ( 4.178 -4.181 4.254) 7.283 6.637 ( -1.660 0.430 -5.090) 5.371 6.954 ( -2.329 -1.868 -2.430) 3.849 7.082 ( 3.869 -2.921 2.418) 5.418 7.355 ( 1.570 -4.275 -2.198) 5.057 7.801 ( -0.289 2.969 6.653) 7.291 8.098 ( -1.777 6.390 1.922) 6.905 8.460 ( 3.286 -0.738 1.661) 3.756 8.507 ( 5.791 -1.046 -2.337) 6.332 8.785 ( -2.329 0.106 -3.399) 4.122 9.116 ( -5.901 5.100 0.019) 7.800 9.465 ( 1.873 9.798 1.301) 10.060 10.004 ( 1.801 -3.678 -0.486) 4.124 10.299 ( -0.277 -3.726 2.302) 4.388 10.725 ( 0.995 8.822 -2.142) 9.133 10.938 ( -0.763 6.345 0.987) 6.467 11.030 ( -0.158 2.646 0.446) 2.688 11.094 ( 0.646 2.516 -6.311) 6.824 11.439 ( 2.443 -7.401 -1.677) 7.972 11.483 ( -0.732 -4.426 -0.379) 4.502 12.563 ( -3.961 -7.119 3.454) 8.849 12.984 ( 0.977 -4.081 2.111) 4.697 13.677 ( 1.468 4.926 1.539) 5.365 13.963 ( 1.580 -2.188 -0.502) 2.745 15.349 ( -0.908 -1.564 0.538) 1.886 15.459 ( -1.269 -3.662 -1.096) 4.028 15.643 ( 0.066 1.120 3.124) 3.320 15.784 ( -1.080 0.178 -1.802) 2.108 16.046 ( 3.477 -0.155 -0.215) 3.488 16.186 ( -2.705 -5.406 -0.514) 6.067 16.285 ( 0.256 -1.270 -4.813) 4.985 16.605 ( -1.338 3.100 5.948) 6.839 17.725 ( 0.100 2.935 1.564) 3.327 17.909 ( -0.236 2.994 -2.963) 4.219 18.176 ( -2.860 1.646 -2.238) 3.987 18.337 ( 4.967 0.775 -5.000) 7.090 19.175 ( -3.968 2.432 -0.142) 4.656 19.278 ( -11.392 -1.366 1.941) 11.637 19.674 ( 9.661 2.295 3.108) 10.405 21.419 ( 1.730 -2.593 3.914) 5.004 27.751 ( -1.926 -0.027 -2.120) 2.865 28.687 ( 3.382 -1.909 3.926) 5.522 29.683 ( -2.294 3.148 2.364) 4.556 29.820 ( -5.236 -4.990 -1.715) 7.434 29.857 ( 6.542 1.903 -3.504) 7.661 30.099 ( 1.607 1.457 -1.417) 2.591 30.230 ( 2.298 -1.752 -0.319) 2.907 30.260 ( -1.356 -6.311 2.480) 6.915 30.804 ( 0.062 -0.185 2.108) 2.117 30.925 ( -0.406 -2.631 -1.419) 3.016 31.617 ( 1.822 0.316 -1.788) 2.572 32.140 ( -5.860 -2.388 6.544) 9.103 33.061 ( -1.353 -2.146 -1.438) 2.916 34.216 ( 3.806 13.516 0.895) 14.070 35.064 ( 4.937 2.209 7.581) 9.313 36.345 ( -4.614 2.633 -19.664) 20.369 ======================= Grid point 190 (94/160) ======================= q-point: (-0.11 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 11.192 11.875 3.913) 16.780 2.263 ( -6.937 2.635 -5.084) 8.995 2.445 ( 15.146 8.056 27.623) 32.517 3.126 ( 0.726 9.288 2.239) 9.582 3.374 ( -9.183 10.280 -7.319) 15.607 3.486 ( -6.452 8.076 -5.389) 11.657 3.586 ( -1.722 13.513 4.283) 14.279 3.699 ( -0.424 9.422 -2.627) 9.791 3.875 ( 2.292 31.139 3.254) 31.392 4.032 ( -4.791 17.721 -4.978) 19.020 4.107 ( -0.285 16.423 -0.164) 16.426 4.421 ( 7.614 21.732 -0.162) 23.028 4.546 ( -7.447 7.488 -7.732) 13.089 4.617 ( 6.519 1.894 0.166) 6.790 4.978 ( -4.872 19.976 0.881) 20.580 5.138 ( 4.595 -2.818 0.555) 5.418 5.218 ( 2.405 16.345 -6.116) 17.617 5.352 ( 3.563 12.602 4.866) 13.971 5.608 ( 4.938 -11.085 -1.125) 12.187 5.920 ( 0.191 -12.425 2.241) 12.627 6.100 ( -8.979 -8.554 0.427) 12.409 6.222 ( 2.697 -15.389 -2.713) 15.857 6.557 ( -6.919 -0.591 -3.291) 7.685 6.624 ( 6.756 -5.074 3.912) 9.311 6.910 ( -5.800 -0.396 -3.271) 6.670 7.205 ( 8.025 -2.839 0.807) 8.550 7.457 ( -0.434 -6.818 0.452) 6.846 7.762 ( -2.928 4.855 4.241) 7.081 8.044 ( 0.747 2.018 6.542) 6.886 8.433 ( -1.038 1.161 -10.928) 11.039 8.575 ( 9.650 1.690 5.735) 11.352 8.726 ( -3.674 2.415 -3.858) 5.850 8.989 ( -3.620 4.769 4.949) 7.767 9.321 ( 1.407 9.020 -0.902) 9.173 10.014 ( -0.178 4.614 0.426) 4.637 10.274 ( -1.425 8.053 3.691) 8.972 10.486 ( 0.721 16.335 -1.582) 16.427 10.745 ( 0.243 12.228 -5.194) 13.288 10.942 ( 0.066 8.825 -9.492) 12.961 11.055 ( 0.361 -1.938 -0.951) 2.189 11.505 ( -0.280 -3.481 0.371) 3.511 11.627 ( 0.530 -9.483 0.951) 9.546 12.668 ( -4.525 -6.208 0.521) 7.700 13.117 ( -2.764 -8.230 4.997) 10.017 13.635 ( 4.337 3.649 0.781) 5.721 13.998 ( -0.403 -1.570 -0.826) 1.819 15.386 ( -2.281 -1.479 3.802) 4.674 15.542 ( -0.159 -8.562 -1.029) 8.625 15.644 ( -1.114 0.852 2.274) 2.672 15.770 ( -0.241 -1.028 -2.475) 2.691 16.083 ( 6.404 -0.637 -0.902) 6.498 16.208 ( -8.153 -4.566 -2.539) 9.684 16.349 ( 5.627 -3.713 -0.656) 6.774 16.571 ( -4.328 3.384 6.332) 8.383 17.693 ( 0.348 1.855 0.966) 2.120 17.823 ( -0.584 2.583 -2.450) 3.607 18.130 ( 0.320 0.589 -2.106) 2.210 18.329 ( 5.527 1.322 -4.694) 7.371 19.077 ( -7.864 2.700 2.781) 8.768 19.311 ( -3.336 -6.284 3.467) 7.914 19.736 ( 9.242 0.396 -0.889) 9.293 21.519 ( 0.578 -4.156 4.331) 6.030 27.750 ( 0.191 -2.428 -1.556) 2.890 28.795 ( 1.535 -4.929 4.695) 6.978 29.611 ( -1.754 3.139 0.140) 3.598 29.779 ( -5.158 0.190 -1.480) 5.370 29.951 ( 5.316 -4.965 -1.000) 7.343 30.083 ( 0.976 0.106 -2.233) 2.439 30.275 ( 2.021 -3.006 -0.008) 3.622 30.431 ( 0.379 -8.837 3.195) 9.404 30.853 ( -1.448 -3.739 3.178) 5.117 30.981 ( 0.515 -5.770 -1.474) 5.977 31.642 ( 3.114 -1.420 -1.601) 3.778 32.200 ( -6.065 -4.819 6.374) 10.032 32.956 ( -4.958 9.813 -1.657) 11.118 33.880 ( 5.989 27.737 -6.823) 29.185 35.025 ( 3.407 12.033 5.178) 13.536 35.975 ( -6.163 19.022 -16.508) 25.930 ======================= Grid point 194 (95/160) ======================= q-point: ( 0.33 0.33 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 2.478 -0.000 -9.132) 9.462 1.875 ( 5.334 -0.000 0.943) 5.416 1.963 ( 11.802 -0.000 -15.253) 19.286 2.146 ( 1.476 -0.000 -2.500) 2.903 2.593 ( 0.920 -0.000 -5.502) 5.578 2.651 ( 8.528 -0.000 -16.858) 18.892 2.786 ( 9.526 -0.000 16.402) 18.968 2.854 ( -3.097 0.000 7.461) 8.078 2.978 ( -4.761 0.000 -9.397) 10.534 3.374 ( 6.915 -0.000 0.643) 6.945 3.551 ( -8.765 0.000 14.498) 16.941 3.801 ( -7.117 0.000 3.904) 8.118 4.163 ( 0.456 -0.000 2.160) 2.207 4.184 ( -7.238 0.000 -6.651) 9.830 4.538 ( 0.765 -0.000 -3.939) 4.013 4.893 ( 1.589 -0.000 -1.402) 2.119 5.286 ( 15.255 -0.000 12.580) 19.773 5.631 ( -8.837 0.000 -1.932) 9.045 5.709 ( 7.204 -0.000 -0.907) 7.261 6.026 ( -0.141 0.000 0.306) 0.337 6.229 ( -11.814 0.000 -5.449) 13.010 6.391 ( -5.448 0.000 2.839) 6.143 6.885 ( 2.742 -0.000 0.679) 2.825 6.911 ( -7.757 0.000 4.181) 8.811 7.089 ( 4.069 -0.000 -7.183) 8.255 7.501 ( -0.409 0.000 4.808) 4.825 7.699 ( 7.346 -0.000 1.285) 7.458 7.864 ( -1.177 0.000 0.758) 1.400 8.046 ( 5.684 -0.000 3.829) 6.853 8.154 ( -3.334 0.000 -5.721) 6.621 8.667 ( 7.521 -0.000 -2.843) 8.040 8.668 ( -3.537 0.000 -1.597) 3.881 8.873 ( 0.852 -0.000 -2.495) 2.637 9.255 ( 0.236 -0.000 -0.894) 0.925 9.267 ( -6.141 0.000 5.475) 8.227 9.458 ( -0.153 0.000 2.079) 2.084 9.744 ( -1.214 0.000 -0.961) 1.548 10.125 ( 3.129 -0.000 1.684) 3.554 10.525 ( -2.576 0.000 -0.659) 2.659 11.312 ( 5.017 -0.000 4.117) 6.490 11.527 ( -5.337 0.000 -4.618) 7.057 11.973 ( 1.815 -0.000 -1.674) 2.469 12.622 ( -3.575 0.000 3.395) 4.930 13.089 ( -8.281 0.000 -8.700) 12.011 13.876 ( 0.974 -0.000 -0.349) 1.035 13.973 ( 2.091 -0.000 3.155) 3.785 15.426 ( -2.642 0.000 -0.994) 2.823 15.598 ( -2.261 0.000 2.196) 3.152 15.780 ( -0.570 0.000 0.050) 0.573 15.985 ( 1.965 -0.000 3.253) 3.801 15.997 ( 4.134 -0.000 -9.549) 10.405 16.055 ( -4.484 0.000 -2.025) 4.920 16.356 ( -3.877 0.000 -0.914) 3.983 16.627 ( 2.965 -0.000 -0.616) 3.028 17.811 ( 6.797 -0.000 1.408) 6.942 18.063 ( -2.743 0.000 -1.331) 3.049 18.151 ( 1.167 -0.000 5.012) 5.146 18.509 ( 3.714 -0.000 -0.151) 3.717 19.056 ( 10.138 -0.000 3.153) 10.617 19.695 ( 1.090 -0.000 -0.245) 1.117 19.825 ( -11.324 0.000 6.479) 13.046 21.557 ( -1.976 0.000 -4.400) 4.823 27.944 ( 2.652 -0.000 -1.764) 3.186 28.686 ( -3.918 0.000 -7.781) 8.712 29.612 ( -1.243 0.000 4.685) 4.848 29.798 ( -1.621 0.000 -0.389) 1.667 29.957 ( -0.389 0.000 0.824) 0.911 30.137 ( -0.893 0.000 0.188) 0.913 30.233 ( 0.319 -0.000 -0.558) 0.643 30.778 ( 0.915 -0.000 0.200) 0.937 30.901 ( 6.754 -0.000 0.152) 6.756 31.119 ( -3.201 0.000 -5.423) 6.297 31.705 ( 9.484 -0.000 -10.976) 14.505 32.529 ( -0.937 0.000 0.178) 0.954 32.665 ( 0.926 -0.000 -0.714) 1.169 32.778 ( 0.213 -0.000 15.197) 15.199 33.192 ( -12.954 0.000 1.916) 13.095 35.971 ( 2.899 -0.000 1.842) 3.434 ======================= Grid point 195 (96/160) ======================= q-point: ( 0.44 0.33 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 6.288 -29.518 -10.141) 31.838 2.001 ( 15.640 -1.135 -5.584) 16.646 2.317 ( 1.590 -42.590 -7.051) 43.199 2.510 ( 0.297 -27.945 -2.113) 28.026 2.644 ( 2.048 -23.428 -5.189) 24.083 2.737 ( -5.908 -4.775 -9.139) 11.883 2.912 ( 1.670 -16.340 0.669) 16.439 3.057 ( -3.478 -29.081 -2.651) 29.408 3.099 ( 10.786 -1.763 15.879) 19.276 3.531 ( 1.659 -13.594 0.026) 13.695 3.571 ( -3.579 1.392 14.524) 15.023 3.883 ( -3.289 -7.516 1.867) 8.413 4.124 ( -6.082 -4.764 -6.897) 10.356 4.181 ( -6.727 -10.845 -5.550) 13.917 4.561 ( 4.995 -1.509 -0.058) 5.219 4.896 ( 1.716 1.383 0.856) 2.365 5.453 ( 7.890 4.211 10.586) 13.858 5.573 ( -1.426 0.464 1.368) 2.030 5.728 ( 6.338 2.364 0.618) 6.793 6.004 ( -13.420 1.034 0.899) 13.489 6.128 ( 3.850 -0.869 -5.725) 6.953 6.359 ( -6.840 -1.006 -0.347) 6.923 6.776 ( -0.115 10.326 3.140) 10.793 6.863 ( -4.127 6.531 1.082) 7.801 7.014 ( 2.437 5.606 -4.901) 7.835 7.412 ( -3.330 11.000 1.210) 11.556 7.678 ( 6.349 6.850 -1.261) 9.424 7.852 ( -0.118 0.816 2.144) 2.298 8.161 ( 2.956 -3.805 -0.247) 4.825 8.192 ( 2.493 -4.758 2.594) 5.965 8.503 ( -2.129 6.788 0.714) 7.150 8.848 ( 4.889 -6.783 -2.209) 8.648 8.871 ( 4.617 -3.968 -2.121) 6.447 9.218 ( -0.048 -0.165 -2.715) 2.720 9.384 ( -10.719 -12.267 2.931) 16.552 9.668 ( 2.704 -19.096 3.086) 19.531 9.884 ( -0.193 -16.718 2.082) 16.848 10.193 ( 1.392 -4.421 1.230) 4.795 10.560 ( -0.633 -4.741 2.186) 5.259 11.333 ( -1.790 0.994 -2.149) 2.968 11.453 ( 0.279 2.771 -0.696) 2.871 11.930 ( 1.305 4.912 -1.930) 5.437 12.606 ( -4.920 0.598 2.129) 5.394 12.969 ( -4.567 -0.983 -10.880) 11.840 13.881 ( 1.360 0.386 -0.335) 1.453 13.972 ( 0.973 3.071 1.734) 3.659 15.395 ( -2.083 0.257 -1.494) 2.576 15.561 ( -2.800 2.423 -0.602) 3.751 15.782 ( 0.097 -0.366 0.686) 0.783 15.914 ( 0.731 4.159 -5.229) 6.721 15.998 ( 1.988 3.340 3.092) 4.967 16.045 ( -0.894 -3.009 -4.030) 5.109 16.351 ( -0.712 -1.784 -1.213) 2.272 16.649 ( 1.794 -0.827 -0.582) 2.059 17.880 ( 5.731 -0.498 1.808) 6.030 17.995 ( 0.009 5.150 0.232) 5.155 18.194 ( -0.366 -0.108 5.270) 5.284 18.501 ( 0.234 1.684 -2.432) 2.967 19.154 ( 9.337 0.022 0.544) 9.353 19.693 ( -2.471 2.286 1.628) 3.739 19.733 ( -8.608 4.663 8.532) 12.986 21.498 ( 0.189 2.877 -2.878) 4.074 27.932 ( 1.918 1.692 -2.600) 3.648 28.628 ( 1.097 0.706 -3.358) 3.602 29.629 ( -2.075 0.932 3.720) 4.361 29.703 ( 1.099 5.504 2.572) 6.173 29.960 ( 0.892 0.802 1.348) 1.805 30.175 ( 0.888 2.857 -0.673) 3.066 30.360 ( -2.182 -14.235 1.446) 14.474 30.790 ( -2.027 -1.205 -1.836) 2.989 30.883 ( 3.714 5.997 -2.389) 7.447 31.048 ( 1.129 3.269 -2.004) 3.998 31.697 ( 7.513 -2.216 -7.855) 11.093 32.259 ( -6.019 15.652 -0.960) 16.797 32.525 ( -1.187 10.099 3.707) 10.823 33.255 ( 2.445 -31.780 9.867) 33.366 33.455 ( -4.577 -26.349 5.440) 27.291 35.995 ( -3.618 -5.669 -6.628) 9.442 ======================= Grid point 196 (97/160) ======================= q-point: ( 0.56 0.33 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 7.135 -2.989 -14.120) 16.101 2.145 ( 16.482 0.553 6.221) 17.626 2.601 ( -9.348 -3.270 -6.529) 11.862 2.951 ( -4.657 -33.175 -3.621) 33.696 3.049 ( 0.777 -23.179 -1.872) 23.268 3.095 ( 1.237 -28.317 -3.763) 28.592 3.302 ( 2.274 -6.852 11.400) 13.493 3.508 ( 0.519 -38.162 4.946) 38.485 3.598 ( 1.478 -30.875 -2.030) 30.977 3.683 ( -0.131 -7.577 13.562) 15.536 3.839 ( -7.732 -13.134 -6.810) 16.693 3.961 ( 3.878 -21.412 -6.268) 22.646 4.234 ( -7.409 -17.581 -1.142) 19.113 4.413 ( 1.668 -21.716 -3.794) 22.108 4.668 ( 4.679 -6.237 2.162) 8.091 4.873 ( 0.931 2.710 -0.205) 2.873 5.406 ( 0.277 8.663 7.526) 11.478 5.629 ( 4.126 -1.099 3.925) 5.800 5.728 ( 1.461 6.335 -2.345) 6.911 5.856 ( -9.230 -1.246 -0.560) 9.331 6.158 ( 4.840 2.873 -2.518) 6.167 6.327 ( -5.011 -2.048 -1.144) 5.533 6.595 ( 0.632 13.794 3.873) 14.342 6.681 ( 0.960 11.630 0.108) 11.670 6.907 ( -4.852 3.804 2.419) 6.622 7.207 ( -0.231 7.590 -4.697) 8.929 7.548 ( 4.654 9.805 -6.828) 12.823 7.868 ( -0.462 0.894 5.104) 5.202 8.215 ( 0.771 0.939 -1.922) 2.274 8.277 ( 4.811 -4.220 1.905) 6.677 8.483 ( -0.294 -0.201 6.003) 6.013 8.840 ( 0.742 1.413 -3.659) 3.992 9.069 ( 1.928 -7.877 -2.178) 8.397 9.269 ( 2.946 -9.127 -1.866) 9.771 9.534 ( -9.233 -13.113 2.231) 16.192 10.051 ( 4.593 -14.782 1.981) 15.605 10.243 ( -0.717 -16.255 4.477) 16.875 10.374 ( 1.107 -20.442 3.625) 20.790 10.684 ( 0.240 -7.053 3.686) 7.962 11.251 ( -5.580 -0.259 -5.620) 7.924 11.412 ( 3.940 5.712 1.416) 7.082 11.805 ( 0.446 8.900 -1.852) 9.101 12.547 ( -6.349 1.016 -1.280) 6.556 12.905 ( 0.466 -1.598 -7.963) 8.136 13.877 ( 0.855 1.159 0.114) 1.445 13.930 ( 1.397 3.393 0.293) 3.681 15.365 ( -1.355 0.368 -1.448) 2.017 15.478 ( -2.633 3.090 -1.926) 4.493 15.796 ( -1.349 2.291 -0.805) 2.777 15.824 ( 1.395 0.235 -1.247) 1.886 15.964 ( 1.216 5.035 3.883) 6.474 16.065 ( 0.425 -3.140 -4.695) 5.664 16.358 ( 0.614 -0.451 -3.481) 3.564 16.673 ( 0.886 -0.288 1.280) 1.583 17.909 ( 1.034 4.009 0.784) 4.213 17.944 ( 4.454 1.587 2.428) 5.315 18.223 ( -2.344 -0.119 4.974) 5.500 18.431 ( 0.117 2.592 -5.416) 6.005 19.198 ( 3.683 0.622 -1.919) 4.199 19.546 ( -16.294 3.049 0.896) 16.601 19.743 ( 8.389 5.795 10.916) 14.937 21.431 ( 1.372 3.383 -1.842) 4.090 27.880 ( 0.579 2.979 -3.417) 4.570 28.621 ( 2.800 0.398 -0.763) 2.929 29.608 ( -0.116 0.335 0.283) 0.454 29.710 ( -0.915 -0.029 6.627) 6.690 29.965 ( 2.034 0.545 -0.313) 2.129 30.113 ( 0.167 4.074 0.768) 4.149 30.460 ( -0.003 3.403 -0.460) 3.434 30.669 ( -1.483 9.215 -5.643) 10.907 30.814 ( 0.319 2.432 -1.019) 2.656 31.002 ( 1.839 3.276 0.537) 3.795 31.853 ( 9.177 -5.460 -2.845) 11.051 32.036 ( -10.033 -2.579 0.334) 10.365 32.406 ( -2.350 2.948 2.553) 4.554 33.881 ( 4.504 -18.569 17.468) 25.889 33.973 ( -0.530 -39.280 0.641) 39.288 36.027 ( -6.693 -12.077 -13.437) 19.267 ======================= Grid point 197 (98/160) ======================= q-point: (-0.33 -0.67 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 1.331 1.022 -11.888) 12.006 2.334 ( 14.599 3.714 16.621) 22.431 2.554 ( -2.465 -1.282 -1.032) 2.964 3.219 ( -5.668 -6.715 1.419) 8.901 3.326 ( 1.388 -12.606 -4.715) 13.531 3.432 ( -8.717 -17.307 -6.090) 20.313 3.482 ( -2.338 -6.116 5.143) 8.326 3.839 ( -1.836 -12.529 0.115) 12.663 3.982 ( 1.886 -16.749 1.631) 16.933 3.998 ( 1.255 -19.949 -5.882) 20.835 4.170 ( -2.470 -22.553 4.478) 23.125 4.327 ( -0.947 -8.791 -0.527) 8.858 4.551 ( 3.890 -22.879 -5.534) 23.858 4.727 ( 1.440 -12.217 -4.504) 13.100 4.905 ( 1.605 -15.297 3.149) 15.700 4.949 ( 1.608 -16.176 2.499) 16.447 5.329 ( 2.398 8.523 6.402) 10.926 5.562 ( -5.380 3.677 -1.200) 6.626 5.699 ( 3.796 -0.151 1.586) 4.117 5.863 ( -1.596 -2.271 -3.017) 4.100 5.989 ( -2.788 15.524 1.758) 15.870 6.309 ( -0.388 6.733 -2.116) 7.068 6.377 ( -1.543 7.814 4.780) 9.289 6.608 ( 5.219 -0.467 -3.315) 6.200 6.878 ( -3.862 -0.987 6.504) 7.628 7.082 ( -0.673 3.947 -4.086) 5.721 7.380 ( 5.203 6.163 -8.636) 11.816 7.871 ( -2.607 1.700 5.445) 6.271 8.206 ( -0.659 -1.041 -2.445) 2.738 8.377 ( 4.931 -1.526 -0.196) 5.165 8.535 ( 3.170 0.667 6.539) 7.298 8.780 ( -1.268 0.719 -5.487) 5.677 9.131 ( -3.309 -3.221 -1.565) 4.876 9.484 ( -0.758 -11.065 1.811) 11.238 9.718 ( -0.838 -12.290 1.223) 12.379 10.176 ( 1.935 -0.506 -1.309) 2.390 10.541 ( 1.543 -14.373 5.216) 15.368 10.797 ( -1.158 -14.254 4.175) 14.898 10.879 ( 3.788 -15.541 3.291) 16.331 11.201 ( -4.154 -2.035 -3.169) 5.607 11.333 ( 3.786 7.202 0.080) 8.137 11.624 ( -0.155 10.491 -1.725) 10.633 12.472 ( -5.038 0.010 -2.251) 5.518 12.905 ( 2.152 -1.853 -3.890) 4.816 13.840 ( 0.424 4.001 0.638) 4.073 13.911 ( 1.366 0.005 -0.577) 1.482 15.343 ( -0.542 0.384 -0.501) 0.832 15.406 ( -2.184 1.001 -2.070) 3.171 15.707 ( -0.893 3.473 -1.282) 3.808 15.871 ( -0.902 -0.706 2.054) 2.352 15.924 ( 1.087 1.657 3.238) 3.796 16.091 ( 1.288 -3.310 -4.677) 5.873 16.313 ( 0.721 2.150 -6.298) 6.694 16.689 ( -0.004 1.012 3.414) 3.561 17.849 ( 0.547 4.781 1.411) 5.014 17.959 ( -0.223 0.471 0.871) 1.015 18.224 ( -4.036 0.760 3.004) 5.088 18.369 ( 4.984 1.484 -5.990) 7.932 19.176 ( -1.581 0.502 -2.160) 2.724 19.370 ( -14.756 3.772 1.912) 15.350 19.802 ( 10.625 5.236 8.243) 14.431 21.392 ( 1.430 1.183 -0.660) 1.969 27.801 ( -0.774 2.914 -3.518) 4.633 28.645 ( 2.650 -0.658 0.477) 2.772 29.633 ( 0.363 -2.792 0.050) 2.816 29.750 ( -3.399 -0.613 6.224) 7.118 29.957 ( 3.062 1.793 -2.598) 4.398 30.088 ( 0.745 -0.000 3.123) 3.210 30.303 ( 0.547 10.977 -3.017) 11.397 30.448 ( -0.406 10.160 -4.949) 11.309 30.792 ( 0.467 -0.072 -0.251) 0.535 30.955 ( 0.072 3.506 0.252) 3.516 31.772 ( 0.605 7.981 -1.795) 8.203 32.133 ( -3.750 -0.691 4.361) 5.793 32.573 ( 0.288 -21.540 0.332) 21.544 34.244 ( 0.603 -10.859 10.224) 14.927 34.632 ( 7.399 -27.856 7.960) 29.901 36.094 ( -6.631 -14.485 -16.438) 22.891 ======================= Grid point 198 (99/160) ======================= q-point: (-0.22 -0.67 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 1.404 1.791 -9.308) 9.583 2.408 ( -0.620 5.514 9.651) 11.132 2.639 ( 10.980 2.521 14.620) 18.457 3.209 ( -7.619 -4.293 -5.656) 10.415 3.407 ( -4.887 -2.536 -3.704) 6.636 3.504 ( -5.644 -1.036 4.891) 7.540 3.646 ( 1.219 -12.052 -6.059) 13.545 4.049 ( 0.081 -6.707 1.011) 6.783 4.103 ( 1.012 -0.523 -7.302) 7.390 4.260 ( 1.844 -8.979 0.557) 9.183 4.365 ( -2.539 -4.809 0.899) 5.512 4.383 ( 0.727 -3.523 -0.296) 3.609 4.793 ( 3.754 -3.057 -2.970) 5.680 4.829 ( -0.048 -1.776 -2.890) 3.393 5.187 ( -1.691 -8.082 0.634) 8.281 5.216 ( -1.128 -6.263 6.152) 8.851 5.310 ( 5.304 -5.564 1.646) 7.861 5.556 ( -2.031 -4.507 1.098) 5.064 5.642 ( 3.650 10.837 -5.863) 12.850 5.767 ( 2.320 8.928 3.930) 10.026 5.855 ( -12.519 -4.581 0.302) 13.334 6.100 ( 5.499 10.198 1.211) 11.649 6.438 ( 1.232 -5.064 2.572) 5.812 6.621 ( 1.791 0.650 -3.250) 3.767 6.891 ( -5.287 0.574 -0.703) 5.365 7.061 ( 2.435 -3.987 1.946) 5.061 7.327 ( 6.091 0.070 -5.329) 8.093 7.859 ( -4.560 0.982 5.725) 7.385 8.167 ( -2.955 2.433 -1.068) 3.974 8.407 ( 3.939 -0.545 -6.260) 7.416 8.609 ( 6.294 0.421 5.420) 8.316 8.735 ( -1.618 -0.767 -3.478) 3.912 9.113 ( -5.694 0.396 0.288) 5.715 9.578 ( -3.425 0.004 2.278) 4.113 9.930 ( 4.915 -8.141 -0.097) 9.510 10.202 ( 0.665 -4.571 -1.038) 4.734 10.759 ( 1.488 -3.706 3.553) 5.345 10.945 ( -2.083 -7.878 -2.015) 8.394 11.111 ( 1.981 0.313 2.614) 3.295 11.129 ( -1.724 5.982 -1.045) 6.313 11.336 ( 3.171 -4.621 0.939) 5.683 11.466 ( 0.450 4.481 -2.151) 4.991 12.458 ( -3.915 -3.805 0.428) 5.476 12.942 ( 1.669 -2.891 -0.910) 3.460 13.780 ( 1.881 4.407 0.625) 4.832 13.926 ( -0.631 -1.784 -0.979) 2.131 15.339 ( 0.491 0.035 1.064) 1.172 15.384 ( -2.352 -2.061 -1.735) 3.576 15.665 ( -0.642 0.444 0.144) 0.794 15.833 ( 0.311 4.688 3.282) 5.731 15.991 ( -2.094 -5.275 1.788) 5.950 16.128 ( 1.594 -1.867 -3.091) 3.947 16.234 ( 2.218 0.410 -7.554) 7.883 16.682 ( -1.502 2.453 4.127) 5.031 17.775 ( -2.961 3.378 0.794) 4.562 17.935 ( -1.415 2.087 -0.392) 2.552 18.185 ( -0.627 1.866 -0.543) 2.042 18.368 ( 6.969 1.114 -3.828) 8.029 19.148 ( -7.009 -2.298 -0.692) 7.408 19.220 ( -7.723 4.618 4.195) 9.928 19.840 ( 9.312 4.824 2.621) 10.810 21.408 ( 0.658 -1.900 0.793) 2.162 27.734 ( -0.770 1.356 -2.309) 2.786 28.690 ( 1.391 -2.002 0.849) 2.581 29.694 ( -1.849 -4.362 -0.189) 4.741 29.744 ( -4.197 2.407 4.623) 6.692 29.931 ( 5.638 3.261 -2.376) 6.933 30.138 ( 1.064 4.370 -1.903) 4.884 30.166 ( 0.505 -4.765 2.651) 5.476 30.274 ( 0.350 5.968 -4.124) 7.263 30.810 ( 0.370 -1.146 0.573) 1.334 30.902 ( -0.545 1.953 -0.591) 2.112 31.654 ( 0.673 4.340 -1.907) 4.788 32.123 ( -4.987 0.327 5.772) 7.636 32.913 ( 1.316 -14.209 -0.179) 14.271 34.390 ( -0.062 1.529 5.906) 6.101 35.084 ( 7.271 -11.379 5.679) 14.649 36.140 ( -3.451 -8.180 -14.464) 16.971 ======================= Grid point 199 (100/160) ======================= q-point: (-0.11 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 5.927 1.960 -8.445) 10.502 2.341 ( -0.536 8.506 8.872) 12.302 2.762 ( 1.602 0.368 7.385) 7.565 3.235 ( -1.180 -2.504 6.039) 6.643 3.310 ( -0.347 5.926 -3.457) 6.869 3.475 ( -8.107 0.786 -0.047) 8.146 3.743 ( 0.983 -1.667 -4.127) 4.559 3.850 ( 1.935 16.153 -2.081) 16.401 4.187 ( 2.753 3.166 -1.694) 4.525 4.277 ( -1.230 10.843 0.478) 10.923 4.329 ( 0.171 9.340 -0.366) 9.349 4.453 ( -1.091 -7.897 0.356) 7.980 4.654 ( 2.683 9.788 -3.983) 10.903 4.872 ( 3.210 5.786 3.031) 7.278 5.047 ( -3.132 8.471 -1.257) 9.118 5.364 ( 5.222 11.100 -5.134) 13.298 5.410 ( -4.878 4.990 3.604) 7.854 5.452 ( 1.067 -2.837 -1.251) 3.279 5.562 ( -2.306 0.967 -2.744) 3.712 5.744 ( 1.617 -6.844 0.498) 7.050 5.889 ( -3.425 -5.677 3.050) 7.298 6.106 ( 4.420 -2.774 1.759) 5.507 6.519 ( -2.739 1.282 2.503) 3.925 6.625 ( 6.411 -3.387 0.303) 7.257 6.827 ( -5.729 -0.922 -3.007) 6.535 7.192 ( 3.575 -5.319 1.259) 6.531 7.371 ( 3.481 -3.329 -2.749) 5.546 7.823 ( -6.825 3.053 3.785) 8.380 8.116 ( -0.763 0.870 4.159) 4.317 8.362 ( 1.357 0.820 -10.923) 11.038 8.686 ( 1.553 0.797 -0.197) 1.757 8.716 ( 4.228 0.255 0.621) 4.281 9.052 ( -4.397 2.685 4.328) 6.729 9.486 ( -0.301 8.894 -0.311) 8.904 10.037 ( 3.135 -1.595 -1.216) 3.722 10.298 ( -3.438 -4.669 1.395) 5.964 10.706 ( -0.136 10.282 -1.583) 10.404 10.931 ( -0.499 9.528 0.141) 9.543 11.009 ( -0.546 4.815 -2.906) 5.651 11.073 ( 2.747 3.374 -0.030) 4.351 11.452 ( -1.635 -4.812 -1.298) 5.246 11.467 ( 1.920 -6.105 0.425) 6.413 12.530 ( -4.372 -6.496 2.120) 8.112 13.024 ( 0.619 -5.564 1.575) 5.815 13.735 ( 3.706 3.845 -0.077) 5.341 13.942 ( -2.582 -2.482 -1.396) 3.844 15.372 ( -0.071 -1.640 3.004) 3.424 15.407 ( -1.840 -4.568 -1.694) 5.208 15.664 ( -0.775 0.153 1.338) 1.554 15.790 ( 1.375 3.162 1.835) 3.906 16.050 ( -6.810 -3.893 -1.791) 8.046 16.118 ( 4.558 0.014 -0.767) 4.622 16.289 ( 4.854 -6.197 -3.962) 8.812 16.644 ( -3.215 3.228 4.601) 6.475 17.715 ( -2.406 1.229 0.164) 2.706 17.865 ( -0.734 3.833 -0.770) 3.978 18.157 ( 2.726 1.956 -0.705) 3.428 18.371 ( 6.459 1.790 -3.740) 7.676 19.064 ( -10.503 1.643 1.172) 10.695 19.240 ( 0.655 -3.292 7.497) 8.215 19.827 ( 6.459 3.769 -3.483) 8.249 21.467 ( -0.880 -3.969 1.139) 4.221 27.719 ( 0.881 -0.900 -0.526) 1.364 28.743 ( -0.896 -3.477 0.139) 3.593 29.667 ( -3.407 3.433 0.708) 4.888 29.730 ( -3.309 0.174 1.782) 3.762 29.932 ( 6.170 -1.071 -2.185) 6.632 30.100 ( 0.478 2.199 -1.115) 2.511 30.222 ( 0.770 -3.222 -2.047) 3.894 30.307 ( 1.152 -8.208 2.034) 8.535 30.835 ( -0.074 -0.378 2.159) 2.194 30.890 ( -0.769 -2.708 -1.898) 3.395 31.622 ( 2.164 -0.897 -1.973) 3.063 32.140 ( -5.886 -2.257 6.624) 9.144 33.024 ( -1.538 1.320 -0.116) 2.030 34.262 ( 0.665 16.201 -0.624) 16.226 35.190 ( -0.903 3.954 -1.746) 4.416 36.091 ( 3.939 5.252 -5.452) 8.534 ======================= Grid point 204 (101/160) ======================= q-point: ( 0.44 0.44 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 6.445 -0.000 -5.210) 8.287 1.816 ( -3.960 0.000 -8.394) 9.281 2.151 ( 23.157 -0.000 1.703) 23.220 2.204 ( 3.285 -0.000 1.623) 3.664 2.450 ( -11.126 0.000 -11.236) 15.812 2.536 ( 1.829 -0.000 -5.709) 5.995 2.683 ( 5.388 -0.000 -10.398) 11.711 2.857 ( -4.896 0.000 5.003) 7.000 3.295 ( 7.264 -0.000 14.260) 16.004 3.386 ( -2.759 0.000 -2.159) 3.504 3.665 ( -1.688 0.000 12.194) 12.311 3.847 ( -0.628 0.000 4.760) 4.801 3.916 ( -13.928 0.000 -13.327) 19.277 4.009 ( 0.808 -0.000 -5.757) 5.813 4.596 ( 5.780 -0.000 -0.530) 5.804 4.946 ( 3.071 -0.000 2.445) 3.925 5.587 ( 1.484 -0.000 4.404) 4.647 5.591 ( -4.283 0.000 7.597) 8.721 5.793 ( 3.461 -0.000 4.219) 5.457 5.932 ( -7.057 0.000 -2.252) 7.408 6.139 ( 9.861 -0.000 -3.920) 10.611 6.272 ( -7.705 0.000 -3.894) 8.633 6.851 ( -6.087 0.000 4.321) 7.465 6.892 ( -0.852 0.000 -1.552) 1.770 7.070 ( 4.466 -0.000 -5.266) 6.905 7.527 ( -5.876 0.000 4.779) 7.574 7.786 ( 2.560 -0.000 -0.839) 2.694 7.888 ( 2.469 -0.000 3.304) 4.125 8.159 ( 1.339 -0.000 3.326) 3.586 8.167 ( 5.609 -0.000 3.359) 6.538 8.589 ( -1.782 0.000 -3.321) 3.769 8.750 ( 6.275 -0.000 -1.646) 6.487 8.908 ( 5.457 -0.000 0.482) 5.478 9.182 ( -3.445 0.000 -5.525) 6.511 9.209 ( -7.450 0.000 2.982) 8.024 9.529 ( 1.469 -0.000 5.375) 5.572 9.739 ( 0.872 -0.000 0.608) 1.063 10.170 ( -0.295 0.000 0.294) 0.417 10.552 ( 3.017 -0.000 4.596) 5.498 11.259 ( -7.285 0.000 -7.102) 10.174 11.511 ( 4.162 -0.000 2.090) 4.657 11.967 ( 0.824 -0.000 -2.170) 2.321 12.562 ( -6.774 0.000 -2.728) 7.303 12.866 ( 0.633 -0.000 -9.001) 9.024 13.897 ( 1.624 -0.000 0.153) 1.631 14.004 ( -1.392 0.000 0.731) 1.572 15.372 ( -1.466 0.000 -1.378) 2.012 15.547 ( -3.539 0.000 -1.734) 3.941 15.789 ( 0.576 -0.000 1.136) 1.274 15.938 ( 3.573 -0.000 -7.870) 8.643 15.955 ( -3.410 0.000 -2.068) 3.988 16.073 ( 2.022 -0.000 3.303) 3.873 16.342 ( 2.394 -0.000 0.074) 2.395 16.640 ( 0.669 -0.000 -1.527) 1.667 17.920 ( 2.109 -0.000 1.562) 2.624 18.064 ( 3.159 -0.000 2.904) 4.291 18.227 ( -1.599 0.000 5.177) 5.419 18.492 ( -0.784 0.000 -3.728) 3.809 19.217 ( 6.486 -0.000 -1.579) 6.675 19.603 ( -16.438 0.000 -1.085) 16.474 19.885 ( 5.784 -0.000 15.337) 16.392 21.510 ( 1.405 -0.000 -3.189) 3.485 27.948 ( 3.167 -0.000 -3.211) 4.510 28.633 ( 2.670 -0.000 -1.673) 3.151 29.648 ( -2.558 0.000 3.820) 4.598 29.855 ( 2.977 -0.000 7.594) 8.156 30.004 ( 2.068 -0.000 3.512) 4.076 30.131 ( -0.324 0.000 0.391) 0.508 30.225 ( 0.073 -0.000 -0.953) 0.956 30.741 ( -2.399 0.000 -3.097) 3.918 30.928 ( 0.129 -0.000 -3.389) 3.392 31.100 ( 5.556 -0.000 -0.147) 5.558 31.692 ( 7.112 -0.000 -9.035) 11.498 32.522 ( -0.376 0.000 0.262) 0.458 32.662 ( 0.377 -0.000 -1.059) 1.124 32.728 ( -7.335 0.000 -5.592) 9.224 33.374 ( 1.206 -0.000 27.724) 27.750 35.809 ( -9.844 0.000 -15.139) 18.058 ======================= Grid point 205 (102/160) ======================= q-point: (-0.44 -0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 3.698 -22.487 -9.986) 24.881 2.135 ( -7.331 -40.825 -4.942) 41.771 2.319 ( -4.906 -7.903 0.959) 9.351 2.384 ( 12.231 -8.039 -1.175) 14.683 2.575 ( 0.826 -29.493 -1.013) 29.522 2.723 ( 9.122 -14.521 0.647) 17.161 2.915 ( -4.792 -31.080 -4.803) 31.812 3.008 ( 4.008 -20.814 4.793) 21.731 3.378 ( -5.025 0.335 4.381) 6.675 3.490 ( -0.102 -15.711 -2.676) 15.937 3.697 ( -8.200 -1.761 -12.018) 14.656 3.753 ( 0.649 0.192 11.588) 11.607 3.923 ( -10.157 -10.619 2.160) 14.853 4.142 ( 10.988 -11.848 -3.532) 16.541 4.650 ( 3.764 -2.328 -0.044) 4.426 4.939 ( 1.038 3.808 -1.941) 4.399 5.538 ( -7.950 2.681 8.991) 12.298 5.669 ( 2.582 -0.824 6.217) 6.782 5.815 ( -1.912 7.201 -2.479) 7.852 5.861 ( 5.493 1.301 3.083) 6.431 6.183 ( 1.848 -0.892 -5.834) 6.185 6.220 ( 0.973 -3.287 -4.449) 5.616 6.807 ( -1.288 6.766 1.982) 7.167 6.810 ( -4.753 4.993 3.540) 7.749 7.006 ( 2.580 6.169 -2.626) 7.184 7.359 ( -2.846 13.692 -0.547) 13.996 7.716 ( 2.887 8.562 -2.751) 9.445 7.908 ( -0.369 1.662 4.201) 4.533 8.231 ( -1.611 -0.202 1.237) 2.041 8.277 ( 6.065 -2.865 4.263) 7.948 8.501 ( -0.308 -0.011 1.741) 1.768 8.887 ( 3.488 0.423 -0.501) 3.549 8.931 ( 2.371 -4.776 -1.364) 5.504 9.114 ( -2.974 -4.490 -7.150) 8.952 9.278 ( -5.665 -10.689 2.803) 12.417 9.811 ( 5.581 -20.270 6.769) 22.087 9.927 ( 0.709 -20.114 2.851) 20.328 10.190 ( -1.859 -4.201 -0.956) 4.692 10.658 ( 4.447 -3.027 6.621) 8.531 11.142 ( -7.322 -0.453 -7.797) 10.705 11.529 ( 3.634 3.202 1.096) 4.966 11.912 ( 0.014 4.953 -2.146) 5.397 12.472 ( -5.821 -0.142 -6.552) 8.765 12.844 ( 2.741 -1.301 -5.190) 6.012 13.904 ( 1.066 0.841 0.609) 1.488 13.975 ( -1.503 1.788 -0.281) 2.352 15.352 ( -1.030 0.217 -0.895) 1.382 15.486 ( -3.007 2.145 -1.936) 4.171 15.805 ( 0.865 0.081 1.494) 1.728 15.854 ( 0.128 3.396 -3.886) 5.162 15.969 ( 0.076 -3.478 -5.367) 6.396 16.083 ( 1.742 3.285 3.632) 5.198 16.357 ( 3.245 0.955 -2.034) 3.947 16.653 ( -0.204 -2.279 -0.487) 2.339 17.938 ( -0.690 0.133 2.217) 2.325 18.074 ( 3.174 4.845 2.467) 6.295 18.242 ( -3.005 0.373 5.205) 6.022 18.437 ( 1.050 1.964 -5.319) 5.766 19.227 ( 1.701 1.543 -1.916) 2.991 19.455 ( -15.081 1.248 0.727) 15.150 20.016 ( 9.557 5.495 15.197) 18.774 21.471 ( 1.410 2.338 -4.573) 5.326 27.924 ( 3.152 3.229 -3.648) 5.802 28.640 ( 2.319 0.189 -1.368) 2.699 29.634 ( -1.031 1.996 1.386) 2.640 29.811 ( -0.035 6.922 8.400) 10.885 30.016 ( 2.922 2.322 1.488) 4.018 30.181 ( 0.653 3.044 -0.332) 3.131 30.382 ( 0.431 -14.109 3.684) 14.589 30.692 ( -2.757 1.482 -3.409) 4.628 30.873 ( -0.358 3.394 -1.700) 3.813 31.098 ( 5.508 4.947 -1.692) 7.595 31.710 ( 6.256 -5.824 -6.385) 10.669 32.150 ( -3.210 17.520 -2.568) 17.996 32.540 ( -1.500 9.817 1.679) 10.072 33.250 ( 0.697 -42.908 -3.718) 43.074 33.774 ( 2.607 -16.762 30.202) 34.640 35.646 ( -12.359 -8.166 -21.125) 25.801 ======================= Grid point 206 (103/160) ======================= q-point: (-0.33 -0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -8.682 -3.588 -10.708) 14.245 2.453 ( -3.328 -8.037 0.554) 8.717 2.603 ( 14.282 -5.085 8.503) 17.382 2.837 ( -3.494 -35.821 -1.781) 36.035 3.006 ( -2.738 -16.341 -3.386) 16.911 3.065 ( 0.334 -15.448 2.148) 15.600 3.328 ( -5.767 -16.295 -5.041) 18.005 3.462 ( -5.097 -33.918 0.953) 34.312 3.595 ( -0.244 -23.157 -4.313) 23.556 3.680 ( -4.162 -16.277 0.874) 16.823 3.851 ( -0.208 -12.253 6.642) 13.939 3.937 ( 4.722 -28.600 -2.792) 29.122 4.137 ( -3.329 -18.088 3.474) 18.717 4.479 ( 11.444 -19.217 -4.071) 22.734 4.737 ( -2.956 -7.245 0.401) 7.835 4.845 ( 2.601 3.165 -3.492) 5.383 5.532 ( -0.949 4.015 9.921) 10.745 5.591 ( -4.353 8.250 -1.510) 9.449 5.771 ( 4.415 2.098 3.886) 6.245 5.845 ( 1.064 3.911 -1.747) 4.414 6.161 ( 1.302 2.129 -3.204) 4.061 6.260 ( 0.762 -2.653 -1.775) 3.282 6.631 ( -1.842 10.836 1.677) 11.118 6.702 ( 1.545 10.121 1.197) 10.308 6.929 ( -0.729 3.526 6.226) 7.192 7.136 ( 0.097 7.818 -5.572) 9.601 7.515 ( 4.341 12.036 -6.968) 14.570 7.893 ( -5.038 1.148 3.793) 6.410 8.180 ( -2.480 1.529 -0.803) 3.022 8.394 ( 4.393 -2.530 1.676) 5.339 8.584 ( 2.279 -2.774 4.731) 5.939 8.784 ( -0.598 5.749 -3.876) 6.960 9.014 ( -4.071 -5.603 -1.382) 7.063 9.241 ( -3.994 -14.025 -2.392) 14.777 9.504 ( 2.022 -14.616 2.739) 15.007 10.160 ( 2.964 -4.644 1.724) 5.773 10.254 ( -2.217 -19.403 1.454) 19.583 10.520 ( 8.480 -28.933 7.138) 30.983 10.781 ( 2.961 -2.320 4.696) 6.017 11.078 ( -4.389 -4.048 -5.000) 7.788 11.474 ( 2.284 6.292 -0.518) 6.714 11.777 ( -0.443 8.690 -1.925) 8.912 12.394 ( -4.073 -0.971 -5.755) 7.117 12.864 ( 2.414 -1.942 -3.182) 4.441 13.893 ( 0.265 1.778 0.690) 1.925 13.926 ( -1.076 1.818 -1.062) 2.364 15.334 ( -1.887 -0.074 -0.489) 1.951 15.417 ( -0.142 2.758 -0.849) 2.889 15.752 ( -1.052 4.211 -1.749) 4.679 15.846 ( 0.641 -1.448 1.629) 2.271 15.992 ( 0.645 -3.972 -5.797) 7.057 16.050 ( 1.419 5.358 4.307) 7.020 16.321 ( 2.324 2.492 -5.813) 6.738 16.694 ( -0.796 -2.024 1.310) 2.539 17.933 ( -2.092 2.388 2.532) 4.061 17.985 ( -2.551 5.163 -0.005) 5.759 18.230 ( -3.716 1.115 2.853) 4.816 18.408 ( 6.970 1.240 -3.242) 7.786 19.165 ( -4.660 2.476 -1.156) 5.402 19.344 ( -8.932 2.287 3.781) 9.965 20.065 ( 9.391 8.555 9.522) 15.876 21.408 ( 0.753 1.642 -4.245) 4.614 27.842 ( 1.346 4.842 -3.842) 6.326 28.648 ( 1.330 -0.514 -1.172) 1.846 29.611 ( 0.376 0.296 -0.177) 0.510 29.783 ( -3.904 2.140 7.424) 8.657 30.002 ( 3.519 2.273 -0.833) 4.271 30.138 ( 0.717 2.489 1.380) 2.935 30.459 ( 0.620 6.524 -1.087) 6.643 30.569 ( -1.533 8.353 -3.157) 9.061 30.813 ( 0.171 1.892 -0.181) 1.908 31.028 ( 1.954 4.855 -1.701) 5.503 31.874 ( -7.128 2.629 -2.280) 7.932 32.006 ( 10.862 -12.831 0.263) 16.813 32.405 ( -1.626 3.000 2.016) 3.964 33.931 ( 0.865 -33.563 0.664) 33.581 34.356 ( 8.692 -22.345 23.542) 33.602 35.617 ( -9.948 -17.732 -19.803) 28.383 ======================= Grid point 207 (104/160) ======================= q-point: (-0.22 -0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -8.755 -4.410 -7.522) 12.357 2.539 ( 2.505 -0.331 6.199) 6.694 2.692 ( -15.171 -3.136 -9.434) 18.138 3.056 ( 6.989 -5.228 8.024) 11.856 3.302 ( 0.913 -13.011 2.663) 13.312 3.354 ( 1.965 -17.618 -2.313) 17.878 3.490 ( -5.002 -0.872 3.743) 6.308 3.787 ( 0.469 -18.781 -3.493) 19.109 3.946 ( 2.150 -18.003 -3.022) 18.381 4.035 ( -1.847 -17.625 0.959) 17.747 4.133 ( -7.805 -22.186 2.735) 23.677 4.340 ( 4.214 -5.961 0.607) 7.325 4.571 ( 5.768 -27.293 -1.072) 27.916 4.734 ( 6.448 -4.464 -5.246) 9.435 4.878 ( -6.590 -14.980 -0.319) 16.369 5.023 ( 4.039 -20.613 0.482) 21.010 5.391 ( 0.446 8.689 1.189) 8.781 5.530 ( -5.194 2.982 1.019) 6.075 5.725 ( -5.353 1.120 -0.866) 5.537 5.776 ( 3.641 6.486 -2.047) 7.714 6.039 ( 0.366 11.923 6.908) 13.784 6.348 ( 6.364 -5.041 -0.481) 8.133 6.406 ( -0.401 14.955 3.058) 15.270 6.630 ( 3.963 0.725 -2.781) 4.896 6.904 ( -6.431 5.523 3.350) 9.115 7.040 ( 3.688 -1.442 -1.197) 4.137 7.364 ( 6.501 4.145 -7.623) 10.842 7.852 ( -7.999 0.341 4.276) 9.076 8.132 ( -4.363 0.097 -2.012) 4.805 8.424 ( 2.778 1.828 -4.179) 5.340 8.679 ( 4.856 -1.867 2.665) 5.845 8.697 ( -0.235 0.974 -1.853) 2.106 9.051 ( -5.454 -3.136 1.777) 6.538 9.419 ( -7.144 -12.756 -0.180) 14.621 9.797 ( 5.901 -12.931 1.613) 14.305 10.186 ( 1.502 0.259 -1.509) 2.145 10.615 ( -0.772 -19.674 2.678) 19.870 10.802 ( 0.021 -0.833 0.423) 0.935 11.080 ( 7.949 -14.836 3.246) 17.141 11.123 ( 1.297 -3.753 2.346) 4.612 11.362 ( 1.503 5.915 -2.173) 6.478 11.600 ( 0.362 9.927 -1.529) 10.050 12.365 ( -3.527 -2.855 -1.872) 4.908 12.898 ( 1.491 -2.471 -2.028) 3.527 13.858 ( 0.881 2.936 0.063) 3.066 13.887 ( -2.364 0.097 -1.559) 2.834 15.322 ( -2.516 -1.198 -0.153) 2.791 15.384 ( 2.549 2.261 0.611) 3.462 15.676 ( -1.183 2.252 -0.193) 2.551 15.895 ( -0.813 -1.912 3.105) 3.736 15.994 ( 0.713 4.611 2.718) 5.400 16.042 ( 1.998 -4.683 -3.686) 6.285 16.237 ( 1.842 3.255 -7.217) 8.128 16.711 ( -2.166 0.115 1.810) 2.825 17.810 ( -6.050 5.250 -0.413) 8.020 17.944 ( -2.769 0.571 1.136) 3.047 18.210 ( 0.141 1.000 1.164) 1.541 18.433 ( 8.104 1.621 -2.115) 8.531 19.073 ( -8.006 1.366 0.111) 8.122 19.288 ( -3.218 3.072 7.347) 8.589 20.019 ( 5.388 8.080 0.673) 9.735 21.381 ( -0.017 -0.873 -1.990) 2.173 27.753 ( 0.192 3.095 -2.265) 3.840 28.662 ( -0.071 -1.495 -1.305) 1.986 29.625 ( -0.470 -1.946 -0.684) 2.115 29.773 ( -4.327 0.676 5.679) 7.171 29.997 ( 4.067 1.189 -0.992) 4.351 30.141 ( 1.154 -0.824 1.598) 2.136 30.275 ( 1.203 11.540 -2.383) 11.845 30.374 ( -0.864 9.328 -3.605) 10.038 30.799 ( -0.337 0.057 0.085) 0.353 30.952 ( 0.705 3.860 -0.851) 4.015 31.729 ( -2.214 5.851 -1.574) 6.451 32.155 ( -2.107 2.362 4.577) 5.565 32.630 ( 6.185 -21.032 0.180) 21.923 34.337 ( -2.679 -12.373 6.487) 14.225 34.894 ( 6.033 -19.372 1.184) 20.324 35.818 ( 2.827 -19.896 -6.042) 20.984 ======================= Grid point 208 (105/160) ======================= q-point: (-0.11 -0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -2.323 -4.582 -7.197) 8.843 2.482 ( -17.264 -1.370 -9.732) 19.866 2.625 ( 0.858 -1.023 5.144) 5.314 3.278 ( 5.228 -3.324 5.802) 8.488 3.410 ( -4.695 0.292 1.501) 4.938 3.462 ( 4.115 2.414 8.473) 9.724 3.604 ( 1.980 -11.316 -2.378) 11.732 4.071 ( 4.521 2.684 -2.335) 5.753 4.095 ( 2.556 -14.302 1.784) 14.638 4.284 ( -0.266 -11.564 0.227) 11.570 4.340 ( -2.496 -3.144 1.486) 4.281 4.392 ( 1.822 0.457 -1.154) 2.204 4.774 ( 2.819 1.506 -3.204) 4.525 4.842 ( 0.834 -4.899 -1.773) 5.276 5.114 ( -2.620 -13.985 -1.227) 14.281 5.278 ( -3.821 3.786 2.655) 5.999 5.346 ( -3.151 -12.992 -3.266) 13.762 5.450 ( -1.310 0.629 -0.203) 1.467 5.587 ( 0.023 10.234 -5.557) 11.646 5.720 ( -1.230 -1.584 -0.282) 2.026 5.950 ( 1.073 6.363 8.878) 10.976 6.210 ( 3.111 9.297 1.403) 9.904 6.523 ( 6.141 -5.668 2.866) 8.834 6.638 ( 3.274 0.191 -2.992) 4.439 6.778 ( -4.162 2.761 0.672) 5.039 7.131 ( 2.092 -4.341 0.549) 4.850 7.343 ( 4.926 -0.860 -6.019) 7.825 7.811 ( -9.249 0.599 3.717) 9.986 8.097 ( -4.106 -2.227 0.867) 4.750 8.347 ( 1.463 3.086 -7.378) 8.130 8.677 ( -0.085 0.804 -3.669) 3.757 8.766 ( 5.710 -1.369 1.692) 6.111 9.072 ( -3.126 -1.019 5.362) 6.290 9.522 ( -5.164 -4.251 0.313) 6.696 10.015 ( 5.070 -5.559 -0.508) 7.541 10.191 ( 0.158 -2.269 -1.239) 2.590 10.802 ( 0.344 1.115 -1.081) 1.591 10.900 ( -1.508 -10.557 1.372) 10.752 11.083 ( -1.849 3.033 -0.710) 3.622 11.181 ( 2.350 7.487 0.989) 7.909 11.409 ( 4.032 -3.978 0.814) 5.722 11.454 ( 2.271 6.228 -2.469) 7.074 12.411 ( -3.712 -5.483 2.566) 7.101 12.949 ( 0.851 -4.120 -1.212) 4.379 13.815 ( 1.408 2.741 -0.998) 3.239 13.865 ( -2.897 -1.533 -1.489) 3.600 15.335 ( -1.299 -2.055 0.230) 2.442 15.387 ( 2.036 0.619 1.553) 2.634 15.657 ( -0.775 -0.418 0.547) 1.037 15.898 ( 0.309 4.353 3.194) 5.408 15.967 ( -2.140 0.070 0.875) 2.313 16.135 ( 2.642 -3.365 0.941) 4.381 16.181 ( 3.995 -3.442 -7.145) 8.880 16.681 ( -4.106 1.824 1.779) 4.832 17.705 ( -4.381 1.410 -0.534) 4.634 17.909 ( -1.335 2.097 0.415) 2.521 18.210 ( 2.291 1.381 1.007) 2.858 18.442 ( 7.346 2.501 -2.860) 8.270 19.002 ( -7.713 0.068 1.572) 7.872 19.309 ( 1.024 1.066 11.133) 11.230 19.904 ( 1.205 5.780 -6.400) 8.708 21.398 ( -1.488 -2.716 -1.067) 3.275 27.722 ( 1.112 0.235 0.391) 1.202 28.674 ( -1.851 -2.242 -2.188) 3.639 29.642 ( -1.962 -1.207 -0.461) 2.349 29.772 ( -2.086 1.152 4.614) 5.193 29.989 ( 4.551 3.395 -2.107) 6.056 30.133 ( 0.655 2.684 -0.263) 2.775 30.209 ( 0.372 1.899 -5.028) 5.388 30.215 ( 0.527 -1.318 2.032) 2.478 30.805 ( -1.289 -1.945 -0.639) 2.420 30.902 ( 1.039 2.872 0.551) 3.104 31.633 ( 0.265 2.641 -1.738) 3.172 32.128 ( -4.871 0.860 5.908) 7.705 32.960 ( 3.860 -10.177 0.573) 10.900 34.413 ( -3.816 3.050 1.145) 5.017 35.100 ( -4.176 -8.141 -7.756) 11.995 36.140 ( 14.335 -7.380 3.619) 16.524 ======================= Grid point 214 (106/160) ======================= q-point: (-0.44 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 1.508 -0.000 -7.455) 7.606 1.593 ( -9.570 0.000 -2.405) 9.868 2.053 ( -22.749 0.000 -3.623) 23.036 2.225 ( -1.458 0.000 -0.761) 1.645 2.481 ( 1.480 -0.000 -4.821) 5.043 2.534 ( 15.081 -0.000 -4.047) 15.614 2.829 ( 14.897 -0.000 9.397) 17.613 2.917 ( 3.076 -0.000 5.517) 6.317 3.215 ( -21.153 0.000 -14.240) 25.500 3.331 ( 2.166 -0.000 -2.498) 3.306 3.632 ( -2.388 0.000 2.834) 3.706 3.741 ( -11.832 0.000 1.891) 11.983 3.868 ( 6.145 -0.000 8.523) 10.507 4.123 ( 13.663 -0.000 -3.575) 14.123 4.630 ( -3.106 0.000 -1.244) 3.345 4.965 ( 2.457 -0.000 -3.605) 4.363 5.554 ( -6.666 0.000 10.996) 12.859 5.772 ( 7.889 -0.000 7.216) 10.692 5.860 ( -0.829 0.000 -0.368) 0.907 5.963 ( 7.424 -0.000 2.550) 7.850 6.068 ( -5.289 0.000 -6.381) 8.288 6.210 ( 8.021 -0.000 -9.134) 12.156 6.833 ( -3.178 0.000 -1.594) 3.556 6.861 ( -2.686 0.000 6.844) 7.352 7.063 ( 2.462 -0.000 -3.843) 4.564 7.489 ( -4.532 0.000 2.622) 5.236 7.795 ( 1.121 -0.000 -0.298) 1.160 7.964 ( -1.829 0.000 3.729) 4.154 8.184 ( -3.000 0.000 2.257) 3.754 8.370 ( 8.164 -0.000 6.570) 10.479 8.515 ( -0.540 0.000 -4.309) 4.343 8.780 ( -1.118 0.000 -1.698) 2.033 8.972 ( -3.970 0.000 -7.573) 8.551 9.068 ( 5.146 -0.000 2.125) 5.568 9.175 ( -0.591 0.000 3.396) 3.447 9.622 ( 1.065 -0.000 3.465) 3.625 9.787 ( 1.847 -0.000 2.222) 2.889 10.132 ( -2.395 0.000 -1.079) 2.627 10.739 ( 6.807 -0.000 8.586) 10.957 11.014 ( -7.462 0.000 -8.567) 11.361 11.588 ( 2.716 -0.000 -0.047) 2.717 11.935 ( -0.974 0.000 -1.962) 2.190 12.375 ( -3.580 0.000 -8.119) 8.873 12.826 ( 2.677 -0.000 -3.315) 4.261 13.927 ( 0.580 -0.000 1.420) 1.533 13.966 ( -2.598 0.000 -1.054) 2.804 15.337 ( -2.190 0.000 -0.556) 2.260 15.477 ( -0.645 0.000 -0.771) 1.005 15.831 ( 1.821 -0.000 1.860) 2.603 15.874 ( 1.824 -0.000 -7.132) 7.362 15.882 ( -2.018 0.000 -1.564) 2.553 16.142 ( 1.599 -0.000 1.858) 2.452 16.397 ( 4.332 -0.000 -1.359) 4.540 16.610 ( -1.466 0.000 -1.422) 2.042 17.943 ( -2.628 0.000 2.622) 3.713 18.148 ( -0.290 0.000 1.248) 1.281 18.256 ( -3.830 0.000 4.334) 5.784 18.440 ( 4.550 -0.000 -3.633) 5.823 19.227 ( -2.814 0.000 -1.786) 3.333 19.378 ( -8.783 0.000 3.350) 9.400 20.271 ( 11.681 -0.000 15.653) 19.531 21.458 ( 1.216 -0.000 -7.386) 7.486 27.964 ( 5.096 -0.000 -4.359) 6.706 28.644 ( 1.243 -0.000 -1.961) 2.321 29.659 ( -0.992 0.000 2.279) 2.485 30.012 ( 1.442 -0.000 5.097) 5.297 30.137 ( 0.222 -0.000 0.491) 0.538 30.143 ( 3.632 -0.000 8.251) 9.015 30.210 ( -0.023 0.000 -0.964) 0.964 30.672 ( -1.530 0.000 0.161) 1.538 30.875 ( -2.453 0.000 -1.183) 2.723 31.189 ( 7.632 -0.000 -4.312) 8.766 31.662 ( 5.119 -0.000 -10.064) 11.291 32.524 ( 0.189 -0.000 0.281) 0.338 32.559 ( -0.420 0.000 -6.566) 6.579 32.649 ( -0.084 0.000 -0.961) 0.965 33.883 ( 0.107 -0.000 40.262) 40.262 35.280 ( -15.019 0.000 -26.822) 30.740 ======================= Grid point 215 (107/160) ======================= q-point: (-0.33 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -13.007 -11.154 -8.516) 19.134 2.002 ( -5.661 -40.808 1.112) 41.213 2.069 ( -16.031 -31.035 0.258) 34.931 2.554 ( -1.493 -32.715 -0.972) 32.764 2.601 ( 8.073 -10.392 -2.088) 13.324 2.768 ( -12.730 -20.663 -10.409) 26.408 2.860 ( -14.042 -13.585 -11.796) 22.823 3.136 ( 9.599 -12.378 5.158) 16.491 3.180 ( 11.313 -9.258 12.048) 18.943 3.481 ( 3.639 -15.033 -1.097) 15.506 3.621 ( -2.568 -0.486 1.103) 2.837 3.750 ( -9.892 -8.922 3.680) 13.820 3.999 ( 7.825 -3.542 5.033) 9.956 4.297 ( 12.942 -10.744 -4.534) 17.421 4.588 ( -8.836 -3.134 -2.206) 9.632 4.946 ( 6.357 4.084 -0.937) 7.614 5.586 ( -2.922 1.051 7.414) 8.038 5.752 ( -0.345 8.505 0.671) 8.538 5.844 ( -0.815 3.113 -1.360) 3.494 5.978 ( 8.538 5.041 3.340) 10.463 6.093 ( 3.803 -4.722 -3.136) 6.826 6.227 ( 4.980 -3.000 -5.428) 7.955 6.758 ( -5.119 5.179 1.346) 7.405 6.849 ( -0.497 5.035 3.765) 6.307 7.018 ( 2.850 2.733 -1.467) 4.213 7.319 ( -1.728 14.886 0.041) 14.986 7.722 ( 3.202 10.825 -2.204) 11.502 7.904 ( -6.944 3.578 2.915) 8.338 8.191 ( -4.736 1.719 0.739) 5.092 8.397 ( 1.194 0.681 -0.119) 1.380 8.541 ( 2.808 -6.057 1.406) 6.822 8.855 ( -5.785 -3.128 -1.324) 6.708 8.929 ( -2.538 -3.807 -3.619) 5.834 8.961 ( -0.639 2.789 -1.897) 3.433 9.327 ( 4.524 -11.379 4.133) 12.924 9.937 ( -0.633 -14.544 -0.117) 14.558 10.061 ( 11.084 -31.780 5.346) 34.080 10.142 ( -1.219 -6.847 -0.123) 6.956 10.832 ( 0.472 0.709 1.769) 1.964 10.952 ( 0.280 -3.760 -0.615) 3.820 11.568 ( 1.445 3.668 -1.582) 4.248 11.869 ( -1.745 4.713 -1.662) 5.294 12.307 ( -2.490 -0.898 -5.357) 5.976 12.834 ( 1.956 -1.168 -2.545) 3.416 13.918 ( -3.211 1.261 -0.190) 3.455 13.936 ( 0.351 1.143 0.193) 1.211 15.311 ( -2.952 0.106 0.120) 2.956 15.468 ( 2.270 1.826 0.616) 2.978 15.796 ( -0.600 3.250 -2.954) 4.433 15.856 ( 0.893 -0.273 1.089) 1.435 15.899 ( 0.858 -2.573 -3.367) 4.324 16.149 ( 1.127 1.809 1.837) 2.814 16.363 ( 3.079 4.585 -4.528) 7.142 16.633 ( -1.629 -4.036 -0.170) 4.356 17.933 ( -4.613 -0.163 2.257) 5.138 18.071 ( -4.524 6.779 -1.013) 8.213 18.242 ( -2.247 0.815 2.473) 3.439 18.471 ( 7.350 0.659 -0.408) 7.390 19.160 ( -5.817 2.372 -0.229) 6.286 19.356 ( -3.757 0.918 5.588) 6.796 20.378 ( 10.521 10.250 9.068) 17.262 21.397 ( 0.644 1.169 -6.565) 6.699 27.919 ( 3.595 5.185 -5.580) 8.423 28.637 ( 0.222 -0.166 -1.738) 1.760 29.646 ( 0.703 2.501 0.786) 2.714 29.885 ( -3.269 9.030 5.050) 10.851 30.077 ( 2.938 3.523 -0.380) 4.603 30.185 ( 0.257 1.831 -0.128) 1.853 30.447 ( 1.165 -9.872 1.869) 10.115 30.660 ( -1.022 3.072 3.182) 4.539 30.831 ( -2.312 1.450 -0.888) 2.870 31.125 ( 5.129 6.742 -7.780) 11.502 31.669 ( 1.108 -7.960 -8.616) 11.783 32.138 ( 4.513 13.132 1.219) 13.940 32.534 ( -1.654 9.267 1.224) 9.493 33.252 ( 6.253 -45.690 -3.311) 46.234 34.318 ( 1.388 -12.680 35.704) 37.914 35.085 ( -11.645 -15.015 -21.814) 28.929 ======================= Grid point 216 (108/160) ======================= q-point: (-0.22 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -16.377 -7.190 -2.440) 18.051 2.216 ( -25.502 -12.071 -15.849) 32.361 2.604 ( -0.852 -8.916 4.175) 9.882 2.826 ( 2.172 -29.637 -1.288) 29.744 2.976 ( -0.653 -31.044 -1.095) 31.070 3.135 ( 1.850 -18.615 -1.847) 18.798 3.252 ( -7.959 -36.100 6.474) 37.530 3.473 ( -3.380 -9.194 7.733) 12.480 3.561 ( 4.179 -16.158 -0.633) 16.702 3.646 ( 2.498 -18.435 1.097) 18.635 3.874 ( -3.705 -7.803 3.281) 9.240 3.986 ( 7.456 -34.159 -4.716) 35.280 4.242 ( 5.317 -15.479 3.527) 16.743 4.582 ( 0.032 -11.986 -1.898) 12.136 4.628 ( 4.730 -13.668 -3.965) 14.997 4.918 ( 4.993 3.800 0.019) 6.274 5.531 ( -4.154 5.257 0.074) 6.701 5.573 ( -5.351 9.300 -0.026) 10.730 5.747 ( -2.152 4.287 -0.625) 4.837 5.918 ( 4.680 8.217 -2.615) 9.811 6.220 ( 5.212 -0.593 5.855) 7.861 6.282 ( 4.637 -2.089 -1.302) 5.250 6.628 ( -1.292 5.700 2.192) 6.242 6.742 ( 2.366 9.761 -0.862) 10.081 7.029 ( -1.532 6.181 8.072) 10.281 7.055 ( 3.210 6.679 -7.194) 10.328 7.489 ( 3.521 12.375 -6.102) 14.240 7.816 ( -9.578 1.017 3.103) 10.119 8.107 ( -5.989 2.817 0.476) 6.636 8.401 ( -1.395 -1.711 -4.999) 5.465 8.659 ( 2.447 -2.954 -0.983) 3.960 8.757 ( 1.035 3.439 0.503) 3.626 8.957 ( -3.399 -4.416 3.906) 6.806 9.096 ( -7.444 -15.654 -3.107) 17.610 9.631 ( 6.284 -14.243 3.513) 15.959 10.123 ( -3.080 -7.856 -3.639) 9.190 10.290 ( 0.562 -16.056 3.216) 16.385 10.790 ( -0.398 -7.191 -6.072) 9.420 10.840 ( 18.433 -22.393 2.710) 29.130 11.092 ( 6.010 -6.066 6.621) 10.805 11.467 ( 0.105 6.841 -2.883) 7.425 11.736 ( -1.601 7.622 -1.236) 7.886 12.293 ( -2.620 -1.858 1.402) 3.504 12.856 ( 1.181 -1.855 -2.211) 3.118 13.854 ( -4.766 1.562 -1.242) 5.167 13.914 ( 0.918 2.177 -0.010) 2.363 15.298 ( -1.534 -0.215 1.467) 2.133 15.460 ( 3.380 2.578 0.801) 4.326 15.715 ( -1.688 3.431 -0.500) 3.856 15.882 ( -0.002 -2.263 0.609) 2.344 15.930 ( 1.266 -2.250 -2.378) 3.510 16.133 ( 1.328 3.372 3.536) 5.063 16.260 ( 2.047 4.504 -6.659) 8.296 16.677 ( -2.701 -2.521 0.111) 3.696 17.858 ( -8.012 7.267 -0.614) 10.834 17.928 ( -3.357 0.466 0.453) 3.420 18.240 ( 0.502 0.735 2.366) 2.528 18.509 ( 6.378 1.330 -0.928) 6.581 19.062 ( -5.859 3.349 0.814) 6.798 19.367 ( -1.530 1.360 9.197) 9.422 20.224 ( 1.391 14.421 -2.991) 14.794 21.358 ( 0.161 0.087 -2.236) 2.243 27.803 ( 0.291 4.825 -3.647) 6.055 28.627 ( -0.871 -0.551 -1.924) 2.183 29.616 ( 0.996 1.316 -0.601) 1.756 29.795 ( -4.230 2.271 4.193) 6.374 30.040 ( 2.730 2.151 -1.483) 3.778 30.161 ( 0.658 1.210 -0.279) 1.405 30.445 ( -0.009 7.700 -0.940) 7.757 30.528 ( -1.651 11.248 0.041) 11.369 30.801 ( -0.788 0.625 -1.001) 1.419 31.018 ( 1.346 3.910 -2.896) 5.048 31.734 ( -4.757 -2.499 -3.057) 6.182 32.206 ( 9.137 -3.933 2.947) 10.375 32.426 ( 2.727 -3.144 0.960) 4.271 33.994 ( 4.537 -32.912 1.810) 33.272 34.595 ( -6.587 -12.032 -7.735) 15.748 35.471 ( 12.963 -29.395 12.176) 34.357 ======================= Grid point 217 (109/160) ======================= q-point: (-0.11 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -9.117 -9.023 -1.252) 12.888 2.033 ( -28.058 -10.665 -16.237) 34.127 2.747 ( 7.684 -1.056 8.251) 11.324 3.196 ( -1.712 -10.293 -2.187) 10.661 3.333 ( -3.635 -8.819 -0.023) 9.539 3.433 ( 1.881 -10.830 3.344) 11.489 3.524 ( 3.845 -12.177 6.185) 14.188 3.814 ( 0.427 -21.977 6.889) 23.036 3.965 ( 1.966 -17.346 -1.123) 17.493 3.992 ( -1.168 -17.652 0.135) 17.691 4.061 ( -2.546 -21.202 1.103) 21.383 4.417 ( 4.739 -9.302 -2.443) 10.721 4.652 ( 4.465 -23.897 -4.252) 24.679 4.745 ( -1.867 -5.538 -0.084) 5.845 4.802 ( 1.746 -6.097 0.800) 6.393 5.037 ( 1.667 -15.484 -5.234) 16.429 5.364 ( -5.602 6.733 0.195) 8.761 5.455 ( -3.846 -0.536 1.431) 4.138 5.659 ( -2.929 2.891 -1.483) 4.374 5.762 ( 2.741 10.341 -2.377) 10.959 6.166 ( 0.790 10.002 7.278) 12.395 6.363 ( -1.278 2.232 -0.115) 2.575 6.558 ( 5.231 7.570 -4.510) 10.247 6.648 ( 8.756 -1.305 1.281) 8.945 6.856 ( -2.860 7.017 3.942) 8.541 7.095 ( 2.220 -1.851 -1.783) 3.396 7.347 ( 4.402 3.075 -6.002) 8.053 7.766 ( -9.085 -0.280 4.340) 10.072 8.030 ( -6.521 -0.527 1.086) 6.632 8.343 ( -0.956 1.523 -6.576) 6.817 8.662 ( -0.299 0.464 -2.538) 2.597 8.795 ( 5.284 -1.477 0.018) 5.487 9.046 ( -2.187 -4.088 6.407) 7.908 9.286 ( -6.768 -15.053 -1.629) 16.585 9.913 ( 4.854 -10.365 1.537) 11.548 10.180 ( 0.662 -2.591 -1.363) 3.002 10.590 ( -2.052 -17.017 -1.850) 17.240 10.815 ( -0.211 -4.333 0.857) 4.422 11.104 ( 2.946 -0.130 -0.919) 3.089 11.316 ( 0.329 7.115 -3.502) 7.937 11.394 ( 15.460 -6.381 -1.764) 16.818 11.589 ( 0.573 7.645 -1.287) 7.774 12.353 ( -2.081 -2.246 9.428) 9.913 12.885 ( 0.737 -2.692 -2.097) 3.491 13.776 ( -6.652 0.324 -1.564) 6.841 13.888 ( 2.480 1.833 -0.970) 3.233 15.316 ( 0.364 -0.788 2.276) 2.436 15.445 ( 2.889 2.607 0.452) 3.917 15.659 ( -2.094 1.426 0.725) 2.636 15.930 ( -0.415 0.574 2.340) 2.445 15.964 ( 0.644 -4.696 -3.751) 6.045 16.133 ( 3.520 1.723 6.696) 7.759 16.170 ( 2.391 2.204 -5.706) 6.567 16.666 ( -4.887 0.155 -0.200) 4.894 17.698 ( -5.524 3.278 -0.447) 6.439 17.914 ( -1.481 -0.275 0.086) 1.508 18.252 ( 1.021 0.714 2.064) 2.411 18.511 ( 4.461 1.859 -3.015) 5.696 18.986 ( -3.866 1.843 2.794) 5.113 19.420 ( 0.380 1.036 11.799) 11.851 19.949 ( -5.895 8.810 -9.587) 14.292 21.350 ( -0.969 -0.550 -0.939) 1.457 27.744 ( 0.355 0.959 0.673) 1.224 28.612 ( -1.889 -0.993 -2.674) 3.422 29.617 ( 0.799 -0.705 -0.330) 1.116 29.785 ( -1.857 -0.367 2.988) 3.537 30.030 ( 2.515 0.353 -2.382) 3.482 30.153 ( 0.316 -0.521 -2.136) 2.221 30.270 ( 0.550 10.217 -0.935) 10.275 30.333 ( -1.176 9.748 1.118) 9.882 30.773 ( -1.338 0.280 -0.934) 1.655 30.965 ( 1.192 2.745 0.127) 2.995 31.673 ( -1.723 3.084 -1.378) 3.792 32.184 ( -3.332 5.023 5.276) 8.011 32.769 ( 10.126 -18.248 0.046) 20.869 34.335 ( -5.887 -7.277 -0.352) 9.366 34.747 ( -4.036 -20.825 -11.048) 23.917 36.132 ( 23.093 -16.765 9.110) 29.956 ======================= Grid point 224 (110/160) ======================= q-point: (-0.33 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -15.685 0.000 -5.641) 16.668 1.524 ( -2.934 0.000 2.948) 4.159 1.643 ( -29.572 0.000 6.915) 30.370 2.142 ( -6.094 0.000 -1.743) 6.339 2.253 ( -33.126 0.000 -26.444) 42.386 2.483 ( 4.223 -0.000 -1.156) 4.378 2.720 ( 6.535 -0.000 -2.247) 6.910 3.067 ( 6.450 -0.000 2.129) 6.792 3.391 ( 7.077 -0.000 -1.407) 7.216 3.413 ( 13.633 -0.000 17.718) 22.357 3.585 ( -4.655 0.000 -2.826) 5.446 3.618 ( -7.946 0.000 5.817) 9.848 4.075 ( 7.402 -0.000 1.677) 7.590 4.255 ( 10.975 -0.000 -6.289) 12.650 4.484 ( -6.198 0.000 -0.967) 6.273 5.028 ( 3.954 -0.000 1.120) 4.110 5.625 ( -1.280 0.000 2.045) 2.412 5.795 ( -1.997 0.000 -6.376) 6.682 5.854 ( -3.346 0.000 0.317) 3.361 6.105 ( 10.734 -0.000 0.626) 10.752 6.162 ( 4.666 -0.000 -9.200) 10.315 6.170 ( 12.087 -0.000 8.541) 14.800 6.748 ( -6.125 0.000 0.410) 6.139 6.938 ( 1.119 -0.000 4.375) 4.516 7.036 ( 1.397 -0.000 -4.030) 4.265 7.453 ( -5.809 0.000 3.685) 6.879 7.857 ( 5.119 -0.000 2.762) 5.817 7.925 ( -6.195 0.000 0.719) 6.236 8.135 ( -6.264 0.000 1.569) 6.458 8.410 ( -1.492 0.000 -9.377) 9.495 8.527 ( 0.360 -0.000 1.150) 1.205 8.673 ( -7.061 0.000 -2.255) 7.412 8.821 ( -0.178 0.000 -0.650) 0.674 9.203 ( 6.957 -0.000 -1.275) 7.073 9.284 ( 5.530 -0.000 4.549) 7.161 9.660 ( 0.731 -0.000 -0.163) 0.749 9.811 ( -0.649 0.000 -1.727) 1.845 10.110 ( -0.643 0.000 2.451) 2.534 10.759 ( -6.080 0.000 -7.519) 9.670 11.022 ( 8.348 -0.000 9.297) 12.495 11.592 ( 0.570 -0.000 -3.027) 3.080 11.881 ( -3.066 0.000 -0.837) 3.179 12.260 ( -1.593 0.000 0.181) 1.603 12.822 ( 1.606 -0.000 -2.188) 2.714 13.889 ( -4.114 0.000 -1.287) 4.311 13.963 ( 0.335 -0.000 2.164) 2.190 15.299 ( -1.801 0.000 1.898) 2.617 15.510 ( 2.367 -0.000 0.950) 2.551 15.790 ( -0.953 0.000 -5.176) 5.263 15.830 ( -1.020 0.000 -1.190) 1.567 15.916 ( 3.483 -0.000 2.647) 4.375 16.168 ( 0.572 -0.000 -1.118) 1.255 16.421 ( 3.583 -0.000 -4.262) 5.568 16.561 ( -2.986 0.000 0.023) 2.986 17.899 ( -5.874 0.000 1.066) 5.970 18.086 ( -5.074 0.000 -1.427) 5.271 18.257 ( -0.365 0.000 2.766) 2.790 18.533 ( 5.611 -0.000 0.408) 5.626 19.141 ( -3.846 0.000 -0.246) 3.854 19.389 ( -1.966 0.000 7.793) 8.037 20.643 ( 14.532 -0.000 2.003) 14.670 21.369 ( 0.802 -0.000 -4.324) 4.398 27.953 ( 4.281 -0.000 -9.264) 10.205 28.624 ( -0.544 0.000 -1.068) 1.199 29.690 ( 1.402 -0.000 1.804) 2.285 30.068 ( 1.165 -0.000 0.529) 1.279 30.150 ( 0.590 -0.000 0.269) 0.648 30.199 ( -0.030 0.000 -0.418) 0.419 30.250 ( 0.263 -0.000 0.266) 0.374 30.700 ( -0.993 0.000 4.325) 4.438 30.817 ( -3.957 0.000 0.938) 4.066 31.154 ( 6.151 -0.000 -19.905) 20.834 31.540 ( -1.416 0.000 -8.423) 8.541 32.535 ( 0.650 -0.000 0.196) 0.679 32.591 ( 8.417 -0.000 3.477) 9.107 32.635 ( -0.408 0.000 -0.458) 0.614 34.422 ( -9.983 0.000 8.265) 12.961 34.761 ( -2.310 0.000 14.324) 14.509 ======================= Grid point 225 (111/160) ======================= q-point: (-0.22 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -20.309 -10.335 2.673) 22.944 1.669 ( -30.773 -12.875 -9.815) 34.772 1.994 ( -2.324 -45.694 4.211) 45.947 2.068 ( -24.799 -42.343 -5.589) 49.388 2.471 ( -7.866 -40.666 0.232) 41.421 2.735 ( 7.245 -9.823 2.010) 12.370 2.823 ( 4.302 -15.126 -2.083) 15.863 3.245 ( 3.815 -16.147 -1.543) 16.663 3.449 ( -6.168 -0.143 0.845) 6.227 3.565 ( 2.390 -11.802 -5.980) 13.445 3.668 ( 12.773 -4.016 11.771) 17.828 3.740 ( 0.356 -9.705 8.440) 12.867 4.128 ( 3.993 -3.318 -1.846) 5.510 4.403 ( 8.374 -12.205 -6.030) 15.983 4.477 ( 0.454 -2.187 0.499) 2.288 5.020 ( 0.971 3.466 -0.802) 3.688 5.551 ( -7.776 4.208 -2.648) 9.229 5.683 ( -2.255 7.669 -4.069) 8.970 5.767 ( -3.997 2.609 -4.529) 6.580 6.080 ( 5.056 6.112 -3.086) 8.511 6.243 ( 12.202 -2.234 0.812) 12.431 6.357 ( 9.804 -1.219 7.698) 12.525 6.679 ( -6.992 2.538 1.749) 7.642 6.882 ( 1.683 6.999 -0.405) 7.210 7.052 ( 4.525 -1.315 -3.242) 5.720 7.306 ( -4.012 13.692 4.700) 15.022 7.741 ( -0.128 17.538 -3.209) 17.830 7.802 ( -6.043 5.125 1.328) 8.034 8.117 ( -6.345 1.189 3.237) 7.222 8.295 ( -4.381 -1.515 -7.266) 8.619 8.572 ( -0.973 -6.917 0.037) 6.985 8.744 ( -8.496 -11.496 -2.551) 14.520 8.809 ( 0.847 1.463 -2.510) 3.026 9.006 ( 0.903 7.623 4.071) 8.689 9.492 ( 6.611 -11.110 4.985) 13.856 9.852 ( -2.761 -11.903 -5.830) 13.539 10.161 ( 0.490 -6.762 2.283) 7.154 10.326 ( 19.861 -43.844 -8.253) 48.835 10.706 ( -2.540 -5.881 -4.147) 7.632 11.158 ( 7.579 -0.257 8.656) 11.508 11.534 ( -0.174 3.734 -4.168) 5.599 11.812 ( -3.580 4.269 0.114) 5.572 12.303 ( 0.289 -1.020 12.533) 12.578 12.827 ( 1.376 -0.917 -2.099) 2.672 13.838 ( -4.106 1.416 -0.507) 4.373 13.959 ( -0.193 2.290 1.439) 2.712 15.312 ( 0.385 0.182 3.573) 3.598 15.520 ( 1.608 1.227 0.742) 2.155 15.732 ( -2.672 1.547 -2.293) 3.846 15.824 ( -0.423 -1.362 -1.559) 2.113 15.962 ( 3.768 0.678 2.952) 4.834 16.158 ( -0.240 -0.213 -2.060) 2.085 16.345 ( 2.833 5.983 -3.299) 7.396 16.593 ( -2.959 -4.210 -0.398) 5.162 17.856 ( -6.158 0.362 -0.166) 6.171 17.970 ( -4.137 6.917 -0.798) 8.099 18.273 ( 0.306 0.482 2.525) 2.589 18.557 ( 2.428 0.818 -1.295) 2.871 19.089 ( -1.975 2.870 -0.435) 3.511 19.443 ( -1.028 0.254 11.061) 11.112 20.494 ( 2.137 21.367 -12.157) 24.676 21.362 ( 0.701 0.677 1.132) 1.494 27.848 ( -0.521 4.706 -7.703) 9.042 28.605 ( -1.248 0.439 -1.347) 1.888 29.681 ( 2.550 4.373 0.191) 5.066 29.860 ( -4.868 9.022 0.570) 10.268 30.089 ( 1.729 2.994 -3.497) 4.917 30.177 ( -0.291 1.130 -1.107) 1.608 30.475 ( 0.454 -6.412 0.175) 6.430 30.688 ( -2.333 6.694 2.418) 7.490 30.788 ( -1.346 -0.229 0.261) 1.390 31.013 ( 1.335 -1.236 -13.613) 13.734 31.543 ( -2.173 -8.131 -4.931) 9.754 32.310 ( 9.896 6.271 4.034) 12.390 32.525 ( -1.623 8.679 1.296) 8.924 33.367 ( 11.709 -46.493 -0.583) 47.948 34.251 ( -14.793 -6.105 -21.431) 26.747 35.305 ( 15.975 -23.330 38.653) 47.891 ======================= Grid point 226 (112/160) ======================= q-point: (-0.11 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -16.382 -11.030 5.483) 20.496 1.496 ( -30.036 -12.996 -7.763) 33.635 2.739 ( 2.358 -31.040 7.467) 32.013 2.861 ( 3.064 -24.359 -1.238) 24.583 2.919 ( -3.564 -38.073 1.537) 38.270 3.103 ( -6.445 -17.592 0.518) 18.743 3.175 ( -4.283 -34.910 1.642) 35.210 3.364 ( -8.553 -9.841 -0.652) 13.055 3.669 ( 4.348 -20.037 0.325) 20.506 3.845 ( 6.505 -10.981 3.131) 13.141 3.927 ( 4.811 -5.034 3.632) 7.854 3.998 ( 2.913 -26.072 -2.532) 26.356 4.340 ( 3.599 -17.434 1.055) 17.833 4.546 ( 0.167 -7.945 0.290) 7.952 4.705 ( 9.013 -17.191 -5.100) 20.070 4.920 ( -2.148 4.700 -4.627) 6.936 5.397 ( -12.638 0.354 1.036) 12.686 5.448 ( -5.893 10.803 -4.186) 12.999 5.677 ( 1.063 3.242 -4.832) 5.915 5.985 ( 4.988 9.614 1.388) 10.919 6.335 ( -1.072 1.585 2.427) 3.090 6.399 ( 6.394 6.275 3.338) 9.560 6.658 ( 3.756 1.234 -1.854) 4.367 6.759 ( 3.054 7.019 -1.508) 7.802 7.019 ( 4.494 7.404 -7.614) 11.532 7.115 ( -3.398 6.782 8.887) 11.684 7.445 ( 1.744 9.568 -3.897) 10.477 7.723 ( -7.892 0.117 4.268) 8.972 8.013 ( -8.340 4.399 3.045) 9.908 8.279 ( -0.854 -2.657 -5.669) 6.319 8.647 ( 0.381 -1.481 -2.321) 2.780 8.771 ( -0.524 -3.629 0.199) 3.672 8.935 ( -7.731 -15.515 -1.151) 17.373 9.038 ( 3.062 -2.525 5.151) 6.503 9.781 ( 5.249 -12.030 3.629) 13.618 10.016 ( -2.606 -13.375 -3.617) 14.099 10.320 ( -0.587 -11.514 0.273) 11.532 10.678 ( 0.035 -8.848 -6.253) 10.835 11.093 ( 19.072 -13.133 -13.415) 26.761 11.294 ( 6.971 -5.687 -3.574) 9.681 11.434 ( 4.393 2.925 -2.430) 5.810 11.695 ( -3.035 6.382 1.170) 7.163 12.488 ( 7.269 1.291 25.066) 26.131 12.842 ( 1.212 -1.570 -1.936) 2.771 13.747 ( -6.990 4.050 0.045) 8.079 13.922 ( 0.932 1.427 -1.014) 1.983 15.346 ( 1.946 0.328 3.840) 4.317 15.510 ( 1.659 2.120 0.590) 2.756 15.668 ( -3.946 1.746 0.192) 4.320 15.864 ( 1.298 -4.151 -1.119) 4.491 15.983 ( 2.294 2.683 1.906) 4.012 16.141 ( -0.599 -0.678 -2.357) 2.525 16.286 ( 5.717 3.886 3.170) 7.605 16.608 ( -4.887 -1.583 -1.000) 5.233 17.727 ( -6.724 6.010 -0.047) 9.019 17.891 ( -0.678 -0.345 -0.809) 1.110 18.281 ( -0.161 0.538 1.771) 1.858 18.525 ( -0.765 1.182 -4.332) 4.555 19.033 ( 0.461 2.704 2.236) 3.538 19.514 ( -0.825 0.514 10.685) 10.729 19.975 ( -16.092 15.252 -13.352) 25.882 21.355 ( -0.045 1.434 1.139) 1.832 27.762 ( -1.164 0.844 0.658) 1.581 28.575 ( -1.351 0.174 -1.877) 2.319 29.630 ( 1.563 1.563 -0.268) 2.226 29.784 ( -1.137 0.248 0.220) 1.184 30.033 ( 1.678 1.411 -4.581) 5.079 30.147 ( -0.153 1.040 -1.323) 1.690 30.429 ( -1.898 7.916 0.026) 8.140 30.509 ( -2.724 10.678 2.493) 11.298 30.781 ( 0.178 1.413 0.574) 1.535 31.001 ( 1.037 0.240 -1.792) 2.085 31.639 ( -2.049 -5.180 -2.418) 6.073 32.320 ( -1.653 8.911 4.652) 10.187 32.570 ( 13.690 -14.268 -0.638) 19.784 34.091 ( -4.378 -13.981 -3.947) 15.172 34.197 ( -0.392 -30.796 -13.324) 33.557 36.094 ( 27.498 -20.615 11.694) 36.303 ======================= Grid point 234 (113/160) ======================= q-point: (-0.22 -0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -19.739 0.000 5.370) 20.457 1.240 ( -36.851 0.000 -6.076) 37.349 1.388 ( -35.689 0.000 13.007) 37.985 1.567 ( 0.248 -0.000 6.706) 6.710 2.003 ( -8.202 0.000 -0.341) 8.209 2.549 ( 4.151 -0.000 -0.293) 4.162 2.840 ( 9.191 -0.000 0.210) 9.193 3.132 ( 1.440 -0.000 -2.313) 2.725 3.363 ( -8.188 0.000 -10.236) 13.108 3.430 ( 2.770 -0.000 -5.108) 5.811 3.720 ( 3.178 -0.000 11.641) 12.067 3.850 ( 10.285 -0.000 12.759) 16.388 4.115 ( 0.005 -0.000 -1.491) 1.491 4.310 ( 8.229 -0.000 -6.305) 10.367 4.489 ( 5.277 -0.000 -0.825) 5.341 5.021 ( -3.465 0.000 -4.733) 5.866 5.465 ( -13.466 0.000 -9.493) 16.475 5.701 ( -7.057 0.000 -5.923) 9.213 5.735 ( 4.146 -0.000 -2.947) 5.087 6.102 ( 2.584 -0.000 -6.800) 7.274 6.396 ( 15.835 -0.000 4.600) 16.489 6.483 ( 10.103 -0.000 6.428) 11.975 6.654 ( -8.892 0.000 4.298) 9.877 7.001 ( 3.190 -0.000 -5.054) 5.977 7.008 ( 2.888 -0.000 1.365) 3.194 7.403 ( -9.417 0.000 5.994) 11.163 7.808 ( -5.649 0.000 -2.728) 6.273 8.028 ( -8.673 0.000 0.379) 8.682 8.029 ( 9.552 -0.000 -2.554) 9.887 8.172 ( -3.625 0.000 -11.162) 11.735 8.526 ( -6.692 0.000 -1.377) 6.833 8.542 ( -1.696 0.000 8.917) 9.077 8.881 ( 5.443 -0.000 -3.667) 6.563 9.209 ( 0.629 -0.000 -5.617) 5.652 9.453 ( 6.766 -0.000 4.116) 7.919 9.623 ( -1.429 0.000 -5.049) 5.247 9.756 ( -0.560 0.000 -1.862) 1.945 10.144 ( -0.711 0.000 1.344) 1.520 10.592 ( -2.518 0.000 -4.096) 4.808 11.283 ( 6.612 -0.000 7.517) 10.012 11.528 ( -0.114 0.000 -4.822) 4.824 11.822 ( -4.312 0.000 1.536) 4.577 12.474 ( 9.060 -0.000 28.539) 29.943 12.817 ( 1.764 -0.000 -2.119) 2.757 13.829 ( -1.533 0.000 1.444) 2.107 13.998 ( -0.485 0.000 2.351) 2.400 15.356 ( 2.233 -0.000 4.637) 5.147 15.542 ( 0.061 -0.000 2.016) 2.017 15.709 ( -3.138 0.000 0.505) 3.179 15.806 ( -0.202 0.000 -0.722) 0.749 16.027 ( 4.833 -0.000 3.162) 5.775 16.128 ( -0.731 0.000 -3.921) 3.989 16.404 ( 3.211 -0.000 -4.685) 5.680 16.517 ( -3.845 0.000 1.295) 4.057 17.809 ( -4.072 0.000 -1.517) 4.345 18.008 ( -3.374 0.000 0.325) 3.390 18.294 ( 0.293 -0.000 1.161) 1.197 18.550 ( -1.927 0.000 -3.265) 3.791 19.105 ( 1.726 -0.000 -1.951) 2.605 19.523 ( -1.028 0.000 11.920) 11.965 20.635 ( 4.973 -0.000 -29.840) 30.252 21.402 ( 0.683 -0.000 3.671) 3.734 27.812 ( -3.374 0.000 -8.216) 8.882 28.593 ( -1.227 0.000 -1.654) 2.059 29.756 ( 3.446 -0.000 1.176) 3.641 30.055 ( -5.476 0.000 -11.868) 13.071 30.094 ( -0.905 0.000 -9.285) 9.329 30.162 ( 0.819 -0.000 -0.096) 0.824 30.198 ( -0.173 0.000 0.336) 0.378 30.724 ( -0.889 0.000 1.894) 2.092 30.794 ( -3.883 0.000 0.200) 3.888 30.834 ( -5.749 0.000 -9.817) 11.377 31.459 ( -1.845 0.000 -0.137) 1.850 32.550 ( 0.970 -0.000 0.116) 0.977 32.623 ( -0.694 0.000 0.070) 0.698 32.915 ( 15.857 -0.000 11.659) 19.682 33.895 ( -13.022 0.000 -24.765) 27.980 35.538 ( 15.002 -0.000 42.968) 45.512 ======================= Grid point 235 (114/160) ======================= q-point: (-0.11 -0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -22.985 -9.502 9.936) 26.783 1.076 ( -22.625 -12.492 14.013) 29.400 1.823 ( -17.597 -58.922 13.679) 62.996 2.073 ( 1.913 -43.252 6.400) 43.764 2.341 ( -8.930 -40.603 1.298) 41.593 2.839 ( 1.188 -22.041 0.102) 22.073 2.931 ( 8.027 -1.922 3.506) 8.968 3.169 ( -5.032 -3.754 -7.682) 9.921 3.310 ( 0.693 -16.493 -7.726) 18.226 3.507 ( 1.307 -12.802 -7.894) 15.097 3.904 ( 3.447 -4.356 7.627) 9.435 4.019 ( 7.348 -2.563 9.889) 12.584 4.135 ( 0.106 -6.115 1.994) 6.433 4.433 ( 5.964 -9.625 -3.108) 11.742 4.539 ( 6.718 -3.628 -4.744) 8.989 4.896 ( -7.644 2.337 -8.099) 11.379 5.262 ( -16.678 -0.463 -4.202) 17.205 5.539 ( -5.137 7.878 -4.534) 10.441 5.739 ( 6.062 3.299 -1.359) 7.034 6.087 ( 3.422 -0.260 -3.368) 4.808 6.438 ( 1.631 7.873 2.215) 8.340 6.587 ( 3.225 4.918 6.572) 8.819 6.644 ( 4.517 -4.852 0.556) 6.653 6.907 ( 4.566 8.446 -3.440) 10.199 7.060 ( 3.598 1.352 -2.950) 4.845 7.295 ( -8.596 7.424 5.597) 12.662 7.613 ( -3.392 12.999 -5.406) 14.482 7.741 ( -4.984 6.766 1.967) 8.630 8.070 ( -8.577 3.671 1.204) 9.407 8.195 ( 3.495 -2.987 -0.831) 4.672 8.556 ( -1.834 -2.018 2.182) 3.492 8.600 ( -5.078 -12.285 0.002) 13.293 8.786 ( 0.195 2.517 -0.345) 2.548 9.095 ( 0.882 1.760 4.733) 5.125 9.651 ( 2.267 -10.399 2.018) 10.833 9.738 ( 1.092 -11.737 -2.697) 12.092 10.172 ( -1.405 -5.675 -1.020) 5.935 10.345 ( 14.438 -35.994 -24.236) 45.732 10.691 ( 6.087 -20.296 -6.586) 22.189 11.327 ( 0.076 2.373 -0.268) 2.390 11.499 ( 4.336 2.081 0.331) 4.821 11.770 ( -3.953 3.859 2.923) 6.250 12.817 ( 3.722 0.554 -0.131) 3.765 12.852 ( 20.647 -0.561 29.310) 35.857 13.816 ( -1.000 5.972 4.186) 7.361 13.946 ( -2.107 3.531 -1.674) 4.440 15.400 ( 1.782 0.516 3.344) 3.824 15.560 ( 0.959 1.086 3.373) 3.671 15.686 ( -0.776 3.704 4.120) 5.594 15.832 ( 2.164 -2.340 2.330) 3.947 16.066 ( 2.141 3.110 -1.780) 4.175 16.105 ( 1.528 -1.806 0.632) 2.449 16.394 ( 5.937 0.975 1.663) 6.242 16.527 ( -4.371 -2.669 -0.175) 5.125 17.752 ( -4.705 2.393 -2.155) 5.701 17.918 ( -2.987 5.431 0.597) 6.226 18.292 ( -0.642 0.454 -0.273) 0.832 18.479 ( -4.874 0.822 -6.369) 8.062 19.101 ( 4.129 1.621 -0.036) 4.436 19.567 ( -4.794 0.954 3.951) 6.285 20.039 ( -24.429 25.102 -16.501) 38.719 21.403 ( 0.228 1.881 3.090) 3.625 27.772 ( -0.293 0.065 4.737) 4.747 28.568 ( 0.108 0.479 -0.059) 0.495 29.692 ( -3.661 6.702 -2.090) 7.918 29.772 ( 1.405 0.156 -2.601) 2.961 30.044 ( 1.603 2.176 -4.315) 5.091 30.163 ( -0.023 1.460 -0.150) 1.467 30.453 ( -1.575 -4.868 -1.628) 5.370 30.649 ( -3.893 5.735 0.406) 6.944 30.828 ( -1.292 -0.005 4.184) 4.379 30.884 ( 3.799 -14.276 -3.788) 15.251 31.472 ( -1.417 -5.890 -1.526) 6.247 32.506 ( 0.540 9.173 3.236) 9.742 32.532 ( 7.382 -1.067 -0.178) 7.461 33.546 ( 3.163 -33.671 -12.663) 36.112 33.775 ( 1.998 -15.777 -5.717) 16.899 36.040 ( 17.517 -16.323 5.694) 24.611 ======================= Grid point 244 (115/160) ======================= q-point: (-0.11 -0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -13.447 0.000 19.863) 23.987 0.853 ( -17.202 0.000 24.062) 29.578 1.337 ( -17.869 0.000 40.404) 44.179 1.723 ( 3.723 -0.000 9.357) 10.070 1.890 ( -7.031 0.000 2.534) 7.474 2.586 ( 1.786 -0.000 -1.696) 2.463 2.944 ( -4.358 0.000 -11.149) 11.971 3.084 ( -0.665 0.000 -3.715) 3.774 3.139 ( 6.594 -0.000 -0.390) 6.606 3.326 ( -0.924 0.000 -10.896) 10.935 3.959 ( 2.247 -0.000 12.451) 12.653 4.025 ( 2.476 -0.000 -6.063) 6.549 4.179 ( -2.449 0.000 11.903) 12.153 4.373 ( 8.504 -0.000 -3.336) 9.135 4.527 ( 6.182 -0.000 -6.558) 9.012 4.789 ( -6.379 0.000 -5.435) 8.381 5.100 ( -9.948 0.000 -4.945) 11.109 5.548 ( -2.561 0.000 -3.325) 4.197 5.841 ( 8.038 -0.000 2.953) 8.563 6.081 ( 6.359 -0.000 -3.813) 7.414 6.540 ( -5.807 0.000 2.035) 6.153 6.633 ( 9.045 -0.000 -0.337) 9.052 6.666 ( -3.392 0.000 4.728) 5.819 7.030 ( 8.864 -0.000 -3.938) 9.699 7.095 ( 2.172 -0.000 2.099) 3.021 7.284 ( -12.286 0.000 2.603) 12.559 7.673 ( -1.889 0.000 -5.002) 5.347 7.855 ( -7.495 0.000 -4.803) 8.901 7.873 ( -8.758 0.000 -1.303) 8.854 8.210 ( 4.619 -0.000 2.002) 5.034 8.441 ( -2.844 0.000 0.582) 2.903 8.802 ( 11.114 -0.000 9.578) 14.672 8.836 ( -0.381 0.000 -4.306) 4.323 9.163 ( -2.912 0.000 2.686) 3.961 9.494 ( -2.864 0.000 -6.293) 6.914 9.590 ( 4.839 -0.000 -0.123) 4.840 9.759 ( 1.651 -0.000 1.521) 2.245 10.091 ( -2.972 0.000 -3.687) 4.735 10.580 ( 2.334 -0.000 1.883) 2.999 11.304 ( -4.067 0.000 -6.116) 7.345 11.583 ( 6.026 -0.000 3.900) 7.178 11.799 ( -3.294 0.000 4.293) 5.411 12.816 ( 2.040 -0.000 -2.308) 3.080 13.219 ( 21.157 -0.000 14.364) 25.572 13.924 ( 5.245 -0.000 1.218) 5.385 13.957 ( -5.275 0.000 -3.993) 6.616 15.425 ( -1.386 0.000 1.895) 2.347 15.597 ( 0.159 -0.000 3.888) 3.891 15.801 ( 0.402 -0.000 -0.123) 0.420 15.936 ( 20.750 -0.000 9.215) 22.704 16.041 ( -1.770 0.000 -4.638) 4.965 16.161 ( 5.705 -0.000 3.219) 6.551 16.467 ( -4.391 0.000 0.869) 4.476 16.471 ( 10.054 -0.000 5.541) 11.480 17.704 ( -5.972 0.000 -4.734) 7.621 17.956 ( -5.099 0.000 0.413) 5.116 18.274 ( -3.018 0.000 -2.353) 3.827 18.399 ( -2.581 0.000 -7.082) 7.538 19.140 ( 3.900 -0.000 -2.391) 4.574 19.466 ( -19.289 0.000 -6.837) 20.465 20.072 ( -9.817 0.000 -7.047) 12.085 21.454 ( 1.281 -0.000 5.484) 5.632 27.899 ( 13.664 -0.000 7.810) 15.739 28.633 ( 10.288 -0.000 11.375) 15.338 29.653 ( -7.078 0.000 -4.606) 8.445 29.860 ( 2.863 -0.000 1.284) 3.137 30.074 ( 2.055 -0.000 -3.030) 3.661 30.175 ( 0.942 -0.000 -0.036) 0.943 30.199 ( -0.530 0.000 0.542) 0.757 30.571 ( -11.578 0.000 -1.059) 11.627 30.720 ( -3.359 0.000 1.466) 3.665 30.931 ( 5.114 -0.000 8.737) 10.124 31.438 ( -1.036 0.000 -0.061) 1.038 32.569 ( 1.033 -0.000 0.185) 1.049 32.613 ( -0.854 0.000 0.266) 0.895 33.116 ( -6.785 0.000 -15.634) 17.043 33.678 ( 19.012 -0.000 8.567) 20.853 35.864 ( -18.487 0.000 -11.716) 21.887 ======================= Grid point 245 (116/160) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( -1.806 0.000 13.739) 13.858 1.484 ( -2.022 0.000 19.196) 19.302 1.871 ( 1.186 -0.000 -3.016) 3.241 2.047 ( 0.461 -0.000 3.311) 3.343 2.158 ( -1.351 0.000 -18.318) 18.368 2.566 ( -0.585 0.000 5.810) 5.839 2.797 ( -0.298 0.000 -12.241) 12.244 2.845 ( 11.327 -0.000 32.498) 34.415 3.074 ( 0.067 -0.000 -0.873) 0.876 3.524 ( 1.094 -0.000 10.782) 10.837 3.670 ( -9.068 0.000 -14.155) 16.811 3.854 ( -2.028 0.000 -13.712) 13.862 4.266 ( -7.616 0.000 7.866) 10.949 4.268 ( -4.695 0.000 -9.511) 10.607 4.400 ( 8.415 -0.000 -5.398) 9.998 4.659 ( 1.384 -0.000 3.430) 3.699 5.094 ( 7.398 -0.000 -2.726) 7.885 5.498 ( 1.219 -0.000 -0.636) 1.375 6.082 ( 2.317 -0.000 -2.205) 3.198 6.226 ( 6.073 -0.000 10.111) 11.795 6.416 ( -7.698 0.000 -6.805) 10.275 6.625 ( -1.025 0.000 1.040) 1.460 6.722 ( 1.784 -0.000 0.281) 1.806 6.933 ( -3.985 0.000 -1.672) 4.322 7.076 ( 2.837 -0.000 -1.136) 3.056 7.234 ( -0.498 0.000 -0.394) 0.635 7.703 ( 5.227 -0.000 0.915) 5.307 7.712 ( -6.126 0.000 -0.267) 6.132 7.730 ( -0.957 0.000 -0.713) 1.194 8.466 ( 0.660 -0.000 0.621) 0.907 8.548 ( 4.683 -0.000 6.926) 8.360 8.799 ( -2.259 0.000 -2.175) 3.136 9.011 ( 1.233 -0.000 1.205) 1.725 9.169 ( -1.831 0.000 0.229) 1.845 9.329 ( -1.265 0.000 -0.809) 1.501 9.502 ( 0.325 -0.000 -3.043) 3.060 9.897 ( 2.728 -0.000 1.634) 3.180 9.936 ( -2.368 0.000 -1.570) 2.841 10.737 ( 2.801 -0.000 1.614) 3.233 11.014 ( -3.356 0.000 -2.912) 4.443 11.718 ( 0.618 -0.000 0.700) 0.934 11.919 ( 0.184 -0.000 1.915) 1.924 12.778 ( 0.005 -0.000 -0.845) 0.845 13.485 ( -1.971 0.000 1.141) 2.277 13.578 ( -1.904 0.000 -1.674) 2.535 13.993 ( 0.445 -0.000 -0.655) 0.792 15.500 ( -3.197 0.000 5.980) 6.782 15.647 ( -0.428 0.000 -3.697) 3.722 15.835 ( 1.153 -0.000 1.368) 1.789 15.881 ( -1.552 0.000 -2.617) 3.043 16.014 ( 5.999 -0.000 -3.113) 6.759 16.339 ( 2.838 -0.000 1.433) 3.180 16.391 ( -2.502 0.000 -0.536) 2.559 16.545 ( -4.395 0.000 -0.225) 4.400 17.627 ( 0.452 -0.000 0.350) 0.571 17.864 ( -0.333 0.000 -1.003) 1.057 18.189 ( 0.581 -0.000 -1.354) 1.473 18.240 ( 0.518 -0.000 -1.810) 1.882 19.144 ( -1.215 0.000 1.865) 2.226 19.507 ( 2.560 -0.000 2.481) 3.565 20.065 ( 0.841 -0.000 -0.941) 1.262 21.715 ( 1.623 -0.000 2.866) 3.294 27.836 ( 1.365 -0.000 -3.942) 4.171 29.462 ( 3.814 -0.000 10.454) 11.128 29.634 ( 2.604 -0.000 -5.178) 5.796 29.921 ( 1.413 -0.000 -1.689) 2.203 30.055 ( 2.651 -0.000 0.644) 2.728 30.189 ( -0.095 0.000 0.080) 0.124 30.205 ( 0.090 -0.000 0.162) 0.185 30.373 ( -2.269 0.000 -0.990) 2.476 30.698 ( -1.033 0.000 0.386) 1.103 31.235 ( 4.758 -0.000 1.347) 4.945 31.412 ( -0.391 0.000 -0.281) 0.482 32.446 ( -4.271 0.000 -6.082) 7.432 32.587 ( -0.243 0.000 0.158) 0.290 32.611 ( 0.269 -0.000 0.055) 0.275 34.524 ( 15.868 -0.000 6.841) 17.279 34.928 ( -22.827 0.000 -2.619) 22.977 ======================= Grid point 246 (117/160) ======================= q-point: ( 0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 9.035 0.872 3.254) 9.643 1.966 ( -0.438 -26.715 -0.036) 26.719 1.992 ( 3.865 -27.751 3.201) 28.201 2.312 ( -2.888 -32.864 -0.748) 33.000 2.474 ( 2.551 -38.038 -1.249) 38.144 2.727 ( 0.616 -12.950 2.415) 13.188 3.042 ( -1.305 -23.882 -3.602) 24.187 3.082 ( 1.126 -14.697 -1.412) 14.807 3.166 ( 2.377 -11.048 -1.172) 11.361 3.593 ( -2.970 -4.274 1.604) 5.446 3.623 ( 2.590 -3.479 8.305) 9.369 3.731 ( -6.485 0.661 -4.855) 8.128 4.238 ( 2.103 -1.873 1.885) 3.389 4.354 ( -9.567 -11.878 6.300) 16.502 4.507 ( 4.703 -10.862 -6.731) 13.617 4.696 ( 6.018 0.662 -0.407) 6.068 5.110 ( 1.052 -2.069 -5.804) 6.251 5.437 ( 2.440 7.741 -1.058) 8.185 6.003 ( 0.191 8.191 -2.677) 8.620 6.222 ( -6.214 4.478 -1.778) 7.863 6.319 ( -0.949 3.523 4.023) 5.431 6.610 ( 1.002 3.333 1.117) 3.656 6.752 ( -6.043 -1.905 -2.554) 6.832 6.808 ( 2.486 11.264 4.293) 12.308 6.988 ( 3.817 9.354 -1.825) 10.266 7.232 ( 4.707 0.779 -0.509) 4.798 7.631 ( -6.642 1.356 -0.114) 6.780 7.743 ( 3.983 0.075 1.981) 4.449 7.908 ( 2.343 -12.779 -0.443) 13.000 8.488 ( 0.806 2.514 0.077) 2.641 8.545 ( -5.364 9.628 -4.444) 11.884 8.612 ( 4.739 1.446 3.385) 6.000 9.008 ( -1.609 -0.346 -0.159) 1.654 9.119 ( 0.361 0.055 0.898) 0.969 9.625 ( -2.702 -20.461 6.785) 21.725 9.680 ( 0.382 -20.996 -7.463) 22.286 9.990 ( -2.816 -11.857 -2.599) 12.461 10.027 ( 2.847 -9.566 1.920) 10.163 10.738 ( -1.557 -0.051 -1.577) 2.216 11.025 ( 1.650 -2.003 1.817) 3.168 11.683 ( -0.605 4.018 -0.306) 4.075 11.895 ( 0.458 4.066 0.238) 4.098 12.757 ( -2.762 0.796 -0.086) 2.875 13.434 ( -8.390 1.931 2.958) 9.104 13.587 ( 9.242 2.397 -0.141) 9.549 13.988 ( -1.723 -0.466 -0.667) 1.906 15.515 ( -2.501 0.571 4.571) 5.241 15.626 ( -1.487 -0.675 -0.964) 1.896 15.806 ( -1.135 3.833 -2.573) 4.754 15.829 ( 1.859 4.272 1.905) 5.033 16.023 ( 2.365 -0.316 -5.243) 5.761 16.297 ( -4.400 1.938 0.017) 4.808 16.414 ( 3.114 0.421 -0.278) 3.154 16.568 ( -0.361 -3.172 3.998) 5.116 17.640 ( 0.757 -0.962 -0.254) 1.250 17.856 ( 3.728 2.345 -0.008) 4.405 18.165 ( -2.869 1.459 0.490) 3.256 18.228 ( 4.148 1.059 -2.062) 4.751 19.110 ( -6.009 1.373 1.227) 6.285 19.540 ( 6.094 0.979 -0.828) 6.227 19.926 ( -1.936 12.297 -0.494) 12.458 21.704 ( -0.378 2.817 -0.453) 2.879 27.811 ( 2.155 1.979 -1.482) 3.280 29.247 ( -6.626 19.099 -2.144) 20.329 29.583 ( -0.570 0.665 0.345) 0.941 29.781 ( -2.391 3.841 -0.516) 4.554 30.028 ( -0.412 0.434 -1.096) 1.249 30.158 ( 0.649 3.711 -0.057) 3.768 30.366 ( 4.050 1.462 -0.176) 4.309 30.641 ( 1.650 -4.544 0.484) 4.858 30.781 ( -1.315 -22.402 0.916) 22.459 31.216 ( 2.874 5.873 -3.102) 7.237 31.432 ( 4.070 -4.347 -0.986) 6.036 32.411 ( -0.487 0.912 0.902) 1.372 32.596 ( -7.557 -3.116 1.873) 8.386 32.738 ( 7.462 -15.300 -1.897) 17.128 34.523 ( -25.361 -13.589 -5.449) 29.284 35.177 ( 20.869 -15.162 10.377) 27.805 ======================= Grid point 247 (118/160) ======================= q-point: ( 0.22 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 11.803 0.416 -9.959) 15.448 2.218 ( 10.510 -9.740 13.446) 19.650 2.463 ( -7.585 -12.611 -23.076) 27.369 2.926 ( 2.810 -21.350 5.463) 22.216 3.071 ( 5.239 -30.110 4.372) 30.873 3.164 ( -4.026 -32.314 2.442) 32.655 3.245 ( -4.402 -31.775 -5.769) 32.593 3.456 ( 1.270 -14.580 -4.477) 15.305 3.497 ( 1.255 -15.347 -1.116) 15.438 3.689 ( -7.406 -8.989 4.808) 12.601 3.763 ( -1.093 -24.037 0.551) 24.068 3.936 ( 4.210 -16.841 6.181) 18.427 4.392 ( 6.233 -7.176 9.034) 13.113 4.600 ( -7.666 -19.028 5.326) 21.194 4.719 ( 6.036 -0.974 -3.241) 6.920 4.736 ( 1.158 -17.162 -4.592) 17.803 5.125 ( -3.745 -6.861 -6.469) 10.146 5.295 ( 3.904 9.670 -1.294) 10.508 5.807 ( 0.918 10.183 -4.384) 11.125 6.078 ( -3.251 8.792 1.253) 9.457 6.275 ( -2.094 2.495 3.725) 4.948 6.504 ( 1.621 17.537 -1.320) 17.662 6.535 ( -3.188 6.504 2.419) 7.637 6.784 ( -6.880 -1.658 0.997) 7.147 6.886 ( 7.671 8.290 -0.298) 11.298 7.258 ( 7.166 1.594 -2.061) 7.625 7.540 ( -6.256 3.393 0.101) 7.117 7.756 ( 0.013 0.963 0.492) 1.082 8.095 ( 2.107 -6.193 -3.531) 7.434 8.334 ( 0.596 5.451 5.222) 7.572 8.470 ( -4.404 -1.644 -6.399) 7.941 8.741 ( 7.074 -5.375 2.939) 9.358 9.010 ( -2.193 -3.827 -2.600) 5.120 9.160 ( 0.035 -3.165 0.892) 3.289 9.900 ( -1.646 -10.825 1.332) 11.030 10.031 ( -2.255 -21.187 -0.720) 21.319 10.216 ( -1.547 -16.455 -3.341) 16.862 10.292 ( -0.267 -19.135 3.340) 19.426 10.744 ( -2.020 -4.193 0.527) 4.684 11.088 ( 3.296 -0.122 2.457) 4.113 11.582 ( -1.591 5.624 -1.102) 5.947 11.794 ( 0.481 7.812 -0.978) 7.888 12.710 ( -4.001 1.927 1.426) 4.664 13.335 ( -4.407 6.588 2.752) 8.391 13.628 ( 7.868 0.557 -0.987) 7.949 13.964 ( -3.602 0.128 -1.094) 3.767 15.495 ( -1.819 1.850 0.324) 2.615 15.592 ( -4.278 4.180 1.211) 6.103 15.725 ( 1.941 1.469 -0.396) 2.466 15.789 ( 2.350 4.248 2.055) 5.272 15.984 ( -0.508 0.790 -5.838) 5.913 16.233 ( -4.346 1.650 0.488) 4.674 16.412 ( 3.109 1.820 -0.055) 3.603 16.649 ( -0.405 -1.855 3.239) 3.754 17.671 ( 1.857 -1.488 -0.284) 2.397 17.830 ( 3.311 3.869 -0.210) 5.097 18.137 ( -0.251 0.402 2.528) 2.572 18.253 ( 5.497 -1.121 -1.819) 5.897 19.049 ( -7.118 -0.117 1.755) 7.332 19.565 ( 8.641 1.912 -1.418) 8.963 19.716 ( -1.685 8.822 -0.175) 8.983 21.616 ( -2.506 4.390 -3.075) 5.916 27.791 ( 3.011 2.341 0.766) 3.891 28.911 ( -7.139 9.494 -6.245) 13.420 29.590 ( 0.098 -0.852 1.918) 2.101 29.712 ( -4.595 0.662 -0.605) 4.682 30.008 ( -1.361 -0.345 -1.660) 2.174 30.093 ( 1.714 4.969 0.734) 5.307 30.365 ( 5.954 3.924 -0.085) 7.131 30.609 ( 2.036 6.180 -0.076) 6.507 30.955 ( -4.141 -0.318 1.978) 4.600 31.062 ( -0.355 9.063 -4.041) 9.929 31.600 ( 4.446 -7.011 -2.254) 8.602 32.373 ( -1.222 4.704 2.866) 5.643 32.665 ( -12.504 -13.895 2.669) 18.882 33.222 ( 9.956 -31.198 -0.105) 32.748 34.617 ( -18.252 -22.069 -5.894) 29.239 35.696 ( 17.090 -16.272 11.213) 26.126 ======================= Grid point 248 (119/160) ======================= q-point: ( 0.33 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 9.082 -0.950 -8.665) 12.588 2.282 ( -9.066 -0.170 -22.940) 24.667 2.603 ( 14.369 -9.385 12.480) 21.220 3.098 ( -3.136 -5.664 -5.680) 8.613 3.439 ( -5.408 -3.704 0.614) 6.583 3.501 ( -0.057 -17.187 5.380) 18.009 3.641 ( -1.567 -15.006 -0.587) 15.099 3.713 ( 6.308 -11.147 11.987) 17.542 3.906 ( -4.469 -26.705 2.068) 27.156 3.984 ( 3.779 -22.316 2.537) 22.775 4.132 ( 3.284 -13.670 -0.326) 14.063 4.275 ( -1.978 -16.859 -0.330) 16.977 4.632 ( -2.507 -13.226 -7.401) 15.362 4.727 ( 7.639 -0.034 2.901) 8.171 4.910 ( 0.752 -10.217 6.452) 12.107 5.073 ( -5.184 -23.663 -1.074) 24.248 5.158 ( -2.469 -3.820 -4.604) 6.472 5.242 ( 1.358 -4.981 -1.913) 5.506 5.667 ( 6.422 6.311 -3.422) 9.632 5.888 ( -2.683 10.486 1.336) 10.906 6.193 ( 2.214 17.897 3.677) 18.405 6.254 ( -1.483 3.709 2.836) 4.899 6.488 ( -1.902 -2.422 -0.341) 3.098 6.735 ( -10.669 2.510 2.309) 11.201 6.798 ( 9.129 5.369 -4.897) 11.668 7.247 ( 4.839 3.415 -2.973) 6.627 7.428 ( -3.717 4.729 0.800) 6.068 7.739 ( -3.038 -0.858 -0.783) 3.253 8.131 ( 2.551 -2.107 -4.056) 5.235 8.362 ( -0.736 0.748 6.843) 6.923 8.430 ( -2.170 -2.501 -5.975) 6.831 8.846 ( 2.906 0.485 0.912) 3.084 9.121 ( 4.357 -6.951 2.051) 8.456 9.240 ( -1.804 -9.318 -2.234) 9.750 10.005 ( -1.243 -3.468 -0.325) 3.698 10.258 ( -4.395 -8.019 -1.983) 9.356 10.448 ( -1.440 -14.455 -0.015) 14.527 10.669 ( -0.445 -20.400 4.770) 20.955 10.868 ( -0.820 -10.225 1.823) 10.418 11.095 ( 3.330 4.008 1.077) 5.321 11.471 ( -2.669 4.324 -1.508) 5.301 11.638 ( 0.601 9.673 -0.719) 9.719 12.650 ( -3.512 3.510 3.139) 5.875 13.167 ( -2.633 9.479 -2.486) 10.147 13.683 ( 5.598 -1.804 -1.688) 6.119 13.912 ( -3.956 1.193 -0.964) 4.243 15.426 ( -0.917 3.569 -1.731) 4.071 15.493 ( -1.713 4.260 1.812) 4.936 15.744 ( 0.568 3.879 -0.114) 3.922 15.770 ( 2.622 -2.854 1.238) 4.069 15.926 ( -2.198 0.093 -2.526) 3.350 16.178 ( -3.219 1.392 -0.170) 3.511 16.412 ( 5.363 3.394 2.486) 6.816 16.650 ( -3.601 0.187 -1.398) 3.867 17.690 ( 1.119 0.628 -0.966) 1.606 17.822 ( 1.237 -1.245 0.737) 1.903 18.187 ( 2.072 -1.797 4.136) 4.962 18.320 ( 7.214 -1.417 -1.261) 7.459 19.034 ( -5.164 -1.303 3.812) 6.550 19.602 ( -1.969 2.860 -1.666) 3.851 19.606 ( 8.897 1.319 1.118) 9.063 21.486 ( -3.634 4.361 -4.232) 7.081 27.793 ( 3.276 1.750 2.087) 4.260 28.708 ( -5.349 3.787 -5.971) 8.866 29.635 ( -1.522 -1.772 2.733) 3.595 29.688 ( -1.498 -2.417 -0.667) 2.921 29.997 ( 0.286 -0.333 -2.963) 2.995 30.037 ( 0.240 3.152 2.308) 3.913 30.306 ( 3.045 7.184 -1.067) 7.875 30.479 ( 1.891 9.449 -1.673) 9.780 30.887 ( -1.834 4.893 -2.509) 5.796 30.924 ( -0.781 2.861 1.701) 3.419 31.642 ( 3.048 2.338 -1.376) 4.081 32.292 ( -2.770 4.620 2.602) 5.982 32.865 ( -8.851 -15.796 2.280) 18.249 33.801 ( 4.177 -26.895 0.171) 27.218 34.824 ( -10.719 -18.674 -3.512) 21.816 36.122 ( 10.778 -11.358 9.112) 18.116 ======================= Grid point 249 (120/160) ======================= q-point: ( 0.44 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 3.925 0.617 -4.392) 5.922 2.052 ( -7.866 2.786 -13.139) 15.565 2.851 ( 8.147 -0.420 2.420) 8.509 3.159 ( -2.078 -7.679 3.045) 8.518 3.407 ( -4.466 0.599 -0.898) 4.595 3.683 ( -2.087 -2.440 1.332) 3.476 3.860 ( 3.778 -2.504 6.003) 7.522 3.990 ( 3.996 -14.218 4.491) 15.436 4.226 ( 0.886 -6.466 3.799) 7.552 4.256 ( -1.211 -8.132 -1.418) 8.343 4.332 ( 3.476 -6.331 1.004) 7.292 4.427 ( -1.250 -3.321 0.621) 3.602 4.691 ( -2.962 -3.454 -6.577) 7.997 4.747 ( 2.762 2.745 1.401) 4.139 5.101 ( -3.405 -9.532 -7.948) 12.870 5.183 ( -0.528 -3.852 3.505) 5.235 5.291 ( -2.316 -5.359 -0.832) 5.897 5.405 ( 2.635 -5.609 2.412) 6.650 5.572 ( 2.573 6.437 0.265) 6.938 5.776 ( -0.520 2.145 -0.575) 2.281 6.046 ( 5.455 4.317 4.672) 8.380 6.184 ( -5.399 2.225 0.456) 5.858 6.552 ( 3.934 -4.285 -4.808) 7.547 6.586 ( -6.695 4.422 -1.244) 8.119 6.802 ( 3.633 -0.087 0.808) 3.723 7.186 ( 1.050 3.416 -2.922) 4.616 7.352 ( -0.023 3.370 2.249) 4.052 7.726 ( -3.718 -1.620 -1.237) 4.240 8.160 ( 1.514 -0.970 -1.535) 2.364 8.349 ( -2.453 5.173 7.579) 9.498 8.441 ( 0.578 -5.553 -7.532) 9.375 8.840 ( 1.447 1.267 -0.622) 2.021 9.210 ( 1.135 -0.181 2.572) 2.817 9.439 ( 1.280 -10.285 -0.608) 10.382 10.032 ( 1.174 -1.207 -0.804) 1.866 10.216 ( -5.145 3.768 -1.057) 6.464 10.672 ( -1.262 -11.948 0.829) 12.043 10.965 ( 1.489 3.071 -0.100) 3.414 11.004 ( 0.033 -11.740 3.624) 12.287 11.113 ( 2.187 -6.685 -0.300) 7.040 11.356 ( -2.559 4.680 -1.567) 5.559 11.499 ( 0.539 6.023 -0.375) 6.059 12.584 ( -2.429 3.791 3.954) 5.992 12.985 ( -0.869 5.834 -4.492) 7.415 13.745 ( 2.804 -2.008 -1.416) 3.728 13.853 ( -2.449 1.594 -0.181) 2.928 15.379 ( 1.022 1.271 0.347) 1.667 15.436 ( -0.966 2.062 0.190) 2.285 15.676 ( -1.048 2.535 -0.940) 2.900 15.847 ( 1.967 -2.214 -0.556) 3.013 15.934 ( -1.260 -3.239 1.528) 3.797 16.124 ( -0.956 2.174 -1.700) 2.921 16.419 ( 6.299 5.011 6.328) 10.239 16.592 ( -5.745 -1.095 -4.553) 7.412 17.676 ( -0.130 0.603 -0.272) 0.674 17.869 ( 0.742 -1.886 0.220) 2.039 18.263 ( 0.720 -1.601 4.073) 4.436 18.381 ( 5.373 -0.961 -2.760) 6.116 19.054 ( -1.660 -0.412 4.952) 5.239 19.539 ( -2.825 -0.420 -5.246) 5.973 19.674 ( 4.752 0.308 4.550) 6.587 21.369 ( -2.755 2.528 -3.003) 4.796 27.810 ( 2.170 1.027 2.347) 3.358 28.597 ( -2.879 1.400 -3.736) 4.920 29.643 ( -1.920 -0.367 1.253) 2.322 29.761 ( 1.083 -4.209 -0.094) 4.347 29.968 ( 1.233 1.486 -0.670) 2.044 30.050 ( -0.719 -2.705 0.050) 2.799 30.186 ( 0.151 5.709 -0.694) 5.753 30.328 ( 1.307 7.450 -1.809) 7.777 30.811 ( -0.504 1.631 -1.520) 2.286 30.911 ( -0.114 0.165 1.765) 1.776 31.608 ( 1.470 2.033 -0.675) 2.598 32.227 ( -2.639 2.096 2.333) 4.099 33.032 ( -2.761 -6.741 1.432) 7.424 34.141 ( -0.191 -11.837 -2.293) 12.059 34.974 ( -5.177 -7.244 -0.377) 8.912 36.377 ( 7.512 -4.438 3.834) 9.530 ======================= Grid point 250 (121/160) ======================= q-point: (-0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -2.054 4.460 0.614) 4.948 1.888 ( -5.325 5.573 3.191) 8.343 2.864 ( -1.449 -0.041 -1.715) 2.246 3.249 ( -1.962 2.959 -0.171) 3.555 3.350 ( 0.316 1.261 1.340) 1.867 3.677 ( 2.294 3.592 2.190) 4.791 3.882 ( 1.623 5.545 2.629) 6.347 4.082 ( -2.486 8.912 -4.797) 10.422 4.218 ( 3.160 7.938 2.078) 8.793 4.303 ( 0.131 5.718 -2.731) 6.338 4.350 ( -2.555 8.816 2.897) 9.625 4.433 ( 4.070 -4.512 -1.365) 6.228 4.611 ( 0.491 8.467 0.749) 8.514 4.779 ( -2.399 -5.014 -2.130) 5.953 5.014 ( -1.029 11.791 -0.081) 11.836 5.242 ( 0.065 0.727 -3.590) 3.664 5.244 ( 1.971 9.128 3.810) 10.085 5.450 ( -6.093 -5.895 1.402) 8.593 5.568 ( -0.847 3.753 -1.519) 4.136 5.756 ( 2.442 -1.401 1.836) 3.361 6.138 ( -4.283 -5.859 -3.582) 8.093 6.166 ( 6.391 -5.986 2.168) 9.021 6.468 ( -5.928 2.573 0.779) 6.509 6.631 ( 6.981 -4.079 -5.598) 9.834 6.825 ( 0.689 0.859 -0.389) 1.168 7.146 ( -1.014 -0.443 1.163) 1.605 7.355 ( 3.165 -0.097 2.375) 3.958 7.716 ( -2.817 -1.163 -0.504) 3.089 8.140 ( -2.100 3.257 1.472) 4.146 8.294 ( -0.587 4.395 5.545) 7.100 8.500 ( 2.000 -5.623 -6.556) 8.866 8.832 ( 0.968 0.458 -0.260) 1.102 9.217 ( 0.103 1.531 1.743) 2.322 9.437 ( -3.324 9.806 -0.228) 10.356 10.031 ( -0.655 1.370 -0.636) 1.646 10.196 ( 3.892 -2.685 0.781) 4.792 10.706 ( 1.035 9.615 -2.644) 10.026 10.951 ( -1.307 -4.020 1.215) 4.399 11.059 ( -0.721 6.221 -0.506) 6.283 11.144 ( -0.262 3.531 -4.088) 5.409 11.355 ( 3.706 -4.827 -2.315) 6.511 11.488 ( 0.256 -5.019 0.769) 5.084 12.593 ( -0.069 -3.454 4.645) 5.789 12.915 ( 1.259 0.785 1.114) 1.856 13.728 ( -4.243 2.230 0.382) 4.808 13.859 ( 3.160 -1.573 -0.717) 3.602 15.381 ( 0.046 0.025 0.478) 0.481 15.432 ( 1.628 -1.685 0.188) 2.351 15.649 ( -1.673 -0.567 1.312) 2.200 15.862 ( -1.344 -0.949 -1.818) 2.452 15.963 ( 0.936 2.019 -1.372) 2.615 16.108 ( 2.655 -1.614 -0.212) 3.115 16.453 ( 5.613 2.993 9.248) 11.225 16.537 ( -6.680 -2.468 -5.054) 8.732 17.666 ( -0.432 0.413 0.730) 0.944 17.884 ( 0.580 0.345 -1.357) 1.515 18.300 ( -0.925 -0.227 2.033) 2.246 18.385 ( -0.545 -0.304 -4.834) 4.874 19.088 ( 2.641 0.532 2.984) 4.020 19.491 ( -4.140 -0.964 -3.337) 5.404 19.715 ( -2.455 -0.766 2.223) 3.399 21.331 ( 0.066 -0.584 0.628) 0.860 27.821 ( -0.095 0.339 1.492) 1.533 28.559 ( 0.183 0.167 -0.114) 0.272 29.648 ( 1.438 0.339 0.870) 1.714 29.782 ( -0.623 1.072 -2.556) 2.841 29.967 ( 0.353 -0.114 -0.966) 1.034 30.066 ( -0.134 -0.844 -1.627) 1.838 30.175 ( 0.525 -3.428 0.945) 3.594 30.287 ( -0.630 -3.852 2.061) 4.414 30.785 ( -0.227 0.811 1.162) 1.436 30.934 ( 0.443 -1.833 -0.558) 1.966 31.603 ( -0.467 -1.363 -0.193) 1.453 32.223 ( -1.805 -1.611 2.725) 3.644 33.048 ( 3.601 5.746 -0.189) 6.783 34.166 ( -2.481 4.186 -5.022) 6.993 34.956 ( -0.034 7.626 1.854) 7.848 36.450 ( 6.003 2.553 -3.560) 7.432 ======================= Grid point 251 (122/160) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -6.193 7.205 6.838) 11.705 1.838 ( -1.327 7.138 20.745) 21.979 2.791 ( -12.931 1.443 -5.929) 14.299 3.077 ( 1.649 8.553 -4.736) 9.915 3.356 ( 5.554 6.740 6.371) 10.811 3.567 ( 1.226 19.357 2.340) 19.537 3.631 ( -0.709 24.159 -0.636) 24.177 3.861 ( -0.455 5.984 -4.662) 7.600 3.945 ( -6.665 31.539 0.673) 32.243 4.055 ( 3.122 17.014 -1.608) 17.373 4.143 ( -1.064 14.042 -3.582) 14.531 4.359 ( 1.474 13.330 -8.605) 15.934 4.471 ( 2.328 9.135 6.810) 11.630 4.775 ( -3.370 1.586 -1.179) 3.906 4.895 ( 5.825 8.164 5.868) 11.619 5.038 ( 3.546 19.210 2.210) 19.659 5.195 ( -0.610 1.369 -3.327) 3.649 5.282 ( -7.913 8.319 -8.041) 14.017 5.592 ( -2.569 -4.718 3.715) 6.531 5.896 ( 1.401 -10.912 1.080) 11.054 6.258 ( -3.401 -14.721 -3.750) 15.568 6.333 ( 4.754 -4.680 -4.493) 8.043 6.426 ( -1.777 -1.997 5.606) 6.211 6.740 ( 0.056 -7.249 -2.658) 7.721 6.798 ( 7.505 1.925 -2.107) 8.030 7.190 ( -4.234 -3.993 3.402) 6.741 7.426 ( 4.120 -2.590 1.736) 5.167 7.716 ( -2.017 -1.010 1.191) 2.551 8.067 ( -4.166 3.413 3.938) 6.672 8.281 ( 3.354 2.788 4.259) 6.096 8.540 ( 1.225 -2.284 -7.086) 7.545 8.833 ( -0.673 0.041 1.506) 1.650 9.129 ( -7.831 13.132 0.175) 15.291 9.217 ( 3.633 6.157 1.126) 7.237 9.998 ( 1.366 3.535 0.498) 3.822 10.211 ( 2.852 8.580 2.297) 9.329 10.471 ( 0.524 14.492 -2.476) 14.711 10.783 ( 0.170 16.361 -4.410) 16.946 10.963 ( 4.975 7.741 -9.975) 13.571 11.123 ( -3.248 -6.404 -1.954) 7.441 11.447 ( 4.018 -3.013 0.458) 5.043 11.614 ( -0.869 -7.917 1.714) 8.146 12.707 ( 1.908 -4.688 -1.817) 5.378 13.042 ( 5.291 -8.574 10.374) 14.462 13.656 ( -6.432 1.078 1.093) 6.613 13.906 ( 3.887 -0.758 -0.270) 3.970 15.400 ( -0.035 -1.975 0.918) 2.178 15.504 ( 2.777 -4.026 0.598) 4.927 15.667 ( -3.572 -0.757 4.044) 5.449 15.851 ( -0.775 -2.385 -4.538) 5.185 15.921 ( 2.659 2.123 -0.807) 3.497 16.168 ( 4.445 -0.916 0.767) 4.603 16.476 ( -3.198 0.022 -2.902) 4.318 16.553 ( 1.176 -2.147 7.634) 8.017 17.667 ( -1.344 -0.385 1.450) 2.014 17.853 ( 0.332 1.591 -2.531) 3.008 18.283 ( -0.275 1.462 -2.734) 3.113 18.322 ( -7.162 -0.471 -4.035) 8.234 19.108 ( 4.950 1.400 -2.207) 5.598 19.458 ( -6.655 -0.283 3.388) 7.474 19.708 ( -6.551 -3.459 -0.986) 7.473 21.395 ( 2.575 -2.989 4.518) 5.998 27.820 ( -2.024 -0.720 0.131) 2.152 28.598 ( 3.732 -1.202 4.582) 6.031 29.664 ( 2.637 1.138 1.228) 3.124 29.712 ( -0.119 2.015 -4.864) 5.266 29.962 ( 0.480 0.143 0.168) 0.529 30.080 ( 0.097 -2.600 -2.052) 3.314 30.285 ( -1.800 -7.406 1.170) 7.711 30.425 ( -2.008 -9.187 3.780) 10.135 30.820 ( 0.966 -3.261 3.717) 5.038 30.963 ( 0.903 -1.913 -1.662) 2.690 31.627 ( -1.696 -1.480 0.179) 2.258 32.288 ( -1.607 -4.954 2.830) 5.927 32.911 ( 9.516 14.757 -2.098) 17.684 33.891 ( -4.545 18.753 -8.968) 21.278 34.760 ( 6.315 19.878 3.736) 21.189 36.325 ( 1.082 9.530 -11.902) 15.285 ======================= Grid point 252 (123/160) ======================= q-point: (-0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -8.789 5.814 13.121) 16.829 1.917 ( 4.787 9.816 31.462) 33.303 2.505 ( -14.375 7.017 -14.042) 21.285 2.904 ( -1.712 21.124 4.284) 21.622 3.074 ( 2.224 37.390 8.390) 38.384 3.138 ( -6.176 38.578 0.698) 39.075 3.199 ( -0.551 34.119 -0.714) 34.131 3.349 ( 7.408 9.541 6.530) 13.731 3.574 ( -4.938 24.755 -9.466) 26.960 3.725 ( 1.392 31.624 -0.394) 31.657 3.851 ( 5.988 2.163 -6.718) 9.255 4.123 ( -3.200 3.445 -10.640) 11.633 4.458 ( 4.590 6.082 4.962) 9.093 4.650 ( -0.108 18.669 3.627) 19.018 4.672 ( -6.711 3.540 -2.492) 7.986 4.769 ( 4.852 17.214 -6.144) 18.911 5.062 ( -0.352 4.907 -2.304) 5.433 5.281 ( -2.978 -10.156 -0.097) 10.584 5.725 ( 2.442 -8.097 3.749) 9.251 6.092 ( 3.023 -7.361 0.271) 7.963 6.319 ( -2.857 -2.982 -0.478) 4.157 6.516 ( -0.563 -12.602 -3.274) 13.033 6.573 ( 4.172 -11.609 -0.947) 12.372 6.756 ( -1.725 -0.811 1.440) 2.388 6.926 ( 5.391 -6.622 -2.998) 9.049 7.226 ( -7.655 -3.443 1.713) 8.567 7.524 ( 4.675 -3.118 1.826) 5.909 7.735 ( -2.100 -1.613 2.325) 3.524 8.034 ( -3.968 0.945 3.229) 5.203 8.315 ( 6.662 2.099 5.282) 8.757 8.489 ( -1.748 -0.176 -6.500) 6.733 8.781 ( -5.819 8.670 -1.579) 10.561 8.909 ( 1.338 4.254 6.585) 7.953 9.180 ( 0.986 2.405 -0.130) 2.603 9.882 ( -1.277 13.702 1.558) 13.849 10.027 ( 4.684 13.865 1.676) 14.730 10.212 ( -0.552 14.230 -3.098) 14.574 10.423 ( 4.416 21.715 -10.474) 24.510 10.794 ( 2.802 8.134 -5.282) 10.096 11.147 ( -4.065 -2.182 -3.755) 5.948 11.551 ( 3.007 -4.767 2.073) 6.005 11.754 ( -0.876 -6.966 3.122) 7.684 12.752 ( 2.447 -1.576 -2.813) 4.047 13.326 ( 8.401 -7.638 4.421) 12.185 13.617 ( -10.541 -4.333 0.140) 11.398 13.948 ( 4.797 -0.086 0.592) 4.834 15.452 ( -0.326 -1.895 2.897) 3.477 15.623 ( 4.278 -5.608 -0.036) 7.053 15.672 ( -3.528 -1.335 3.797) 5.352 15.867 ( -1.369 -4.080 -5.148) 6.710 15.936 ( 4.943 -0.061 0.367) 4.957 16.223 ( 5.835 0.058 1.483) 6.021 16.428 ( -4.591 -0.742 -1.916) 5.029 16.642 ( 1.241 -0.619 4.343) 4.559 17.664 ( -3.039 0.286 0.678) 3.126 17.833 ( -1.437 -2.281 -0.889) 2.839 18.221 ( -0.495 0.105 -6.350) 6.371 18.248 ( -6.081 0.397 -1.077) 6.189 19.096 ( 4.099 1.163 -3.469) 5.494 19.445 ( -7.031 -0.184 7.848) 10.539 19.755 ( -3.978 -8.782 -0.801) 9.674 21.519 ( 3.184 -3.532 6.475) 8.034 27.823 ( -1.889 -2.253 -1.582) 3.339 28.744 ( 7.998 -5.190 10.071) 13.868 29.628 ( -2.094 1.131 -1.570) 2.851 29.715 ( 5.725 -0.725 -1.409) 5.940 29.981 ( 1.386 -1.056 0.669) 1.867 30.118 ( -0.238 -3.148 -1.408) 3.457 30.364 ( -5.446 -4.780 -0.041) 7.247 30.580 ( -2.233 -7.315 2.731) 8.121 30.948 ( -1.017 -3.576 5.445) 6.594 30.997 ( 5.367 -2.106 -0.396) 5.779 31.575 ( -1.700 7.538 0.219) 7.731 32.389 ( -2.217 -6.520 1.261) 7.001 32.728 ( 12.013 13.262 -3.195) 18.177 33.355 ( -7.692 27.012 -13.552) 31.185 34.497 ( 15.052 23.926 6.739) 29.059 35.958 ( -12.489 15.804 -16.948) 26.324 ======================= Grid point 253 (124/160) ======================= q-point: (-0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -7.248 1.385 18.432) 19.854 1.781 ( 0.584 38.865 18.796) 43.175 2.133 ( -4.679 19.735 -8.341) 21.930 2.387 ( -3.028 36.427 5.493) 36.963 2.476 ( -1.596 20.393 -8.451) 22.132 2.608 ( 7.231 21.146 30.602) 37.894 2.767 ( -3.411 19.089 -2.697) 19.578 3.105 ( 0.826 22.434 -5.780) 23.181 3.206 ( -1.928 16.153 -5.459) 17.159 3.424 ( 5.972 2.240 11.435) 13.094 3.819 ( -0.859 0.145 -8.514) 8.558 3.972 ( -4.348 -0.857 -16.713) 17.290 4.339 ( -2.073 9.880 5.756) 11.621 4.429 ( -1.856 5.537 -7.787) 9.733 4.488 ( 1.713 9.712 -10.415) 14.343 4.629 ( -3.154 0.193 6.278) 7.029 5.042 ( 8.435 2.067 1.097) 8.754 5.428 ( -0.610 -7.759 -0.162) 7.785 5.941 ( 5.360 -9.205 4.030) 11.388 6.166 ( 6.274 2.762 2.179) 7.193 6.402 ( -3.897 -9.243 -2.382) 10.310 6.615 ( -2.934 -3.799 -0.293) 4.809 6.721 ( 3.764 0.792 0.546) 3.885 6.877 ( -0.211 -12.387 -2.376) 12.615 6.998 ( -2.431 -5.262 -3.064) 6.556 7.227 ( -4.356 -2.312 0.294) 4.941 7.620 ( 5.031 -1.861 1.320) 5.524 7.753 ( -4.454 -1.239 0.821) 4.696 7.910 ( -3.561 11.009 -0.933) 11.608 8.411 ( 7.163 -0.831 7.502) 10.406 8.513 ( -1.730 -1.417 -1.051) 2.471 8.639 ( -2.159 -6.402 0.563) 6.780 8.958 ( 2.629 -0.844 4.343) 5.146 9.148 ( -1.662 0.038 -1.164) 2.030 9.587 ( -1.584 18.207 2.426) 18.436 9.796 ( 3.706 21.884 -10.920) 24.737 9.945 ( 2.727 10.998 2.040) 11.513 10.067 ( -1.830 11.944 -2.754) 12.393 10.710 ( 3.439 2.782 1.221) 4.589 11.089 ( -4.920 0.379 -4.786) 6.875 11.664 ( 1.939 -3.833 1.700) 4.620 11.867 ( -0.340 -3.924 3.121) 5.026 12.772 ( 2.077 -0.618 -1.645) 2.720 13.457 ( 7.576 0.492 0.833) 7.638 13.612 ( -13.020 -6.468 -3.117) 14.869 13.985 ( 3.095 0.120 -0.202) 3.104 15.484 ( -2.510 -0.313 4.550) 5.206 15.666 ( -0.142 -0.431 -0.813) 0.931 15.773 ( 2.363 -4.915 0.275) 5.460 15.886 ( -1.867 -3.398 -3.881) 5.486 15.981 ( 6.672 0.349 -1.290) 6.804 16.282 ( 5.717 -0.094 1.650) 5.951 16.409 ( -4.480 -1.913 -0.006) 4.872 16.623 ( -3.445 2.665 -1.447) 4.590 17.633 ( -1.197 0.920 0.584) 1.618 17.866 ( -3.554 -3.067 -0.774) 4.758 18.199 ( 1.470 1.063 -2.288) 2.920 18.222 ( -1.581 -3.723 -2.243) 4.625 19.112 ( 2.911 -0.846 0.588) 3.088 19.467 ( -2.417 -0.671 6.195) 6.683 19.929 ( 0.734 -12.191 0.082) 12.213 21.642 ( 2.662 -2.482 5.822) 6.866 27.838 ( -0.018 -2.416 -3.939) 4.621 29.087 ( 13.109 -15.126 13.331) 24.049 29.607 ( -0.405 -1.201 -1.141) 1.705 29.782 ( 3.188 -4.021 -0.629) 5.170 30.018 ( 1.888 -0.987 -0.163) 2.136 30.161 ( -0.240 -2.835 -0.323) 2.864 30.370 ( -3.510 -0.871 -0.638) 3.672 30.634 ( -2.121 4.980 1.118) 5.527 30.792 ( -0.874 20.466 -0.241) 20.486 31.141 ( 4.004 -4.128 4.535) 7.324 31.425 ( -1.515 3.271 -0.239) 3.613 32.472 ( -2.031 -5.570 -3.431) 6.850 32.633 ( 5.642 4.949 -1.537) 7.661 32.790 ( -8.226 17.714 -9.277) 21.622 34.373 ( 25.234 15.231 9.966) 31.113 35.392 ( -29.744 15.133 -12.715) 35.713 ======================= Grid point 255 (125/160) ======================= q-point: ( 0.11 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 3.668 -0.000 -5.375) 6.507 1.697 ( 14.661 -0.000 -12.100) 19.010 1.806 ( -3.999 0.000 1.236) 4.186 2.097 ( 3.734 -0.000 -2.497) 4.492 2.153 ( 7.122 -0.000 16.317) 17.804 2.615 ( 1.741 -0.000 -6.568) 6.795 2.753 ( 0.743 -0.000 10.902) 10.927 2.840 ( -6.665 0.000 -28.917) 29.675 3.110 ( 4.866 -0.000 0.251) 4.872 3.478 ( -9.803 0.000 -10.546) 14.399 3.711 ( -5.752 0.000 8.786) 10.501 3.786 ( 9.047 -0.000 20.956) 22.826 4.182 ( -13.606 0.000 5.099) 14.530 4.332 ( 8.794 -0.000 11.250) 14.279 4.388 ( 1.500 -0.000 -7.529) 7.677 4.751 ( 8.651 -0.000 -3.014) 9.161 5.031 ( -1.971 0.000 -8.736) 8.955 5.522 ( 3.595 -0.000 -1.366) 3.845 6.047 ( -1.719 0.000 -2.251) 2.832 6.100 ( -13.383 0.000 -8.068) 15.627 6.436 ( -0.292 0.000 9.106) 9.111 6.633 ( -8.394 0.000 -1.890) 8.604 6.697 ( 6.481 -0.000 0.994) 6.556 6.990 ( 2.671 -0.000 5.520) 6.132 7.068 ( 1.136 -0.000 -4.210) 4.360 7.286 ( 6.259 -0.000 0.914) 6.325 7.624 ( -3.736 0.000 0.135) 3.739 7.783 ( 5.889 -0.000 2.002) 6.220 7.797 ( 4.167 -0.000 1.012) 4.288 8.490 ( -7.233 0.000 -9.096) 11.621 8.495 ( 3.556 -0.000 -1.447) 3.839 8.785 ( -1.982 0.000 2.818) 3.445 8.978 ( -3.541 0.000 -2.240) 4.190 9.193 ( 1.747 -0.000 2.212) 2.819 9.323 ( -1.111 0.000 2.646) 2.870 9.482 ( -1.003 0.000 0.959) 1.387 9.846 ( -3.597 0.000 -1.730) 3.991 9.987 ( 3.905 -0.000 1.179) 4.079 10.687 ( -4.529 0.000 -3.575) 5.770 11.067 ( 5.206 -0.000 5.193) 7.353 11.701 ( -2.124 0.000 -1.578) 2.646 11.932 ( 0.975 -0.000 -1.149) 1.507 12.736 ( -4.337 0.000 0.957) 4.441 13.396 ( -7.064 0.000 1.061) 7.143 13.708 ( 9.573 -0.000 3.675) 10.254 13.959 ( -3.176 0.000 -0.433) 3.205 15.523 ( -2.107 0.000 0.677) 2.213 15.617 ( -1.513 0.000 3.935) 4.216 15.821 ( -1.307 0.000 -1.392) 1.909 15.894 ( 1.584 -0.000 2.721) 3.148 15.981 ( 1.138 -0.000 -7.501) 7.587 16.254 ( -6.186 0.000 -1.646) 6.401 16.476 ( 5.875 -0.000 0.609) 5.906 16.552 ( -2.598 0.000 3.910) 4.694 17.642 ( 2.234 -0.000 -0.111) 2.237 17.927 ( 7.096 -0.000 1.165) 7.191 18.163 ( -0.807 0.000 0.971) 1.262 18.265 ( 3.325 -0.000 -0.530) 3.367 19.071 ( -8.285 0.000 0.922) 8.336 19.581 ( 7.677 -0.000 -4.898) 9.106 20.013 ( -5.250 0.000 0.931) 5.332 21.704 ( -1.865 0.000 -3.983) 4.398 27.843 ( 3.019 -0.000 -0.205) 3.026 29.263 ( -21.146 0.000 -12.564) 24.597 29.597 ( -0.410 0.000 2.347) 2.382 29.893 ( -1.849 0.000 -0.919) 2.064 30.021 ( -2.354 0.000 -2.058) 3.127 30.174 ( -1.295 0.000 0.044) 1.295 30.217 ( 0.885 -0.000 -0.169) 0.901 30.551 ( 14.488 -0.000 0.708) 14.505 30.719 ( 1.906 -0.000 1.435) 2.386 31.252 ( 1.744 -0.000 -7.150) 7.360 31.449 ( 6.212 -0.000 -1.250) 6.336 32.479 ( 4.166 -0.000 10.095) 10.920 32.570 ( -1.495 0.000 0.126) 1.501 32.628 ( 1.476 -0.000 -0.294) 1.505 34.068 ( -34.462 0.000 -6.101) 34.998 35.371 ( 27.770 -0.000 13.679) 30.956 ======================= Grid point 256 (126/160) ======================= q-point: ( 0.22 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 14.324 -2.215 -17.115) 22.428 1.871 ( 2.009 -29.657 -16.987) 34.236 2.193 ( 5.980 -33.000 5.867) 34.047 2.451 ( 4.113 -27.254 9.341) 29.102 2.482 ( 5.744 -25.575 6.735) 27.064 2.665 ( -2.294 -16.070 -24.645) 29.510 2.812 ( 2.634 -15.663 1.423) 15.946 3.089 ( 0.500 -29.614 3.478) 29.821 3.253 ( 6.872 -10.924 2.158) 13.085 3.315 ( -12.103 -3.325 -12.122) 17.450 3.703 ( -8.613 2.110 10.760) 13.943 3.998 ( 7.763 -0.539 13.912) 15.940 4.209 ( -13.271 -11.843 3.713) 18.170 4.418 ( -1.955 -10.185 -6.324) 12.148 4.523 ( 6.517 -3.581 10.695) 13.026 4.778 ( 8.249 1.086 -5.920) 10.212 5.000 ( 2.215 -2.307 -1.552) 3.555 5.478 ( 4.894 7.629 -1.093) 9.130 5.869 ( -7.358 5.531 -6.480) 11.257 6.070 ( -4.633 -3.540 -1.622) 6.052 6.392 ( -3.207 7.473 5.266) 9.688 6.595 ( -7.460 -0.728 0.775) 7.535 6.679 ( 2.259 6.379 0.972) 6.837 6.882 ( 1.071 13.187 0.107) 13.231 7.041 ( 2.542 3.945 -1.171) 4.837 7.345 ( 8.572 1.614 0.916) 8.771 7.542 ( -3.935 4.332 0.791) 5.906 7.809 ( 2.554 2.187 -0.406) 3.387 7.985 ( 5.875 -9.509 2.578) 11.471 8.331 ( -7.166 1.495 -8.070) 10.895 8.532 ( 1.034 5.580 1.807) 5.955 8.686 ( 3.615 -2.476 -1.627) 4.674 8.922 ( -3.643 -0.340 -3.717) 5.216 9.171 ( 2.088 1.400 1.518) 2.936 9.611 ( -0.203 -20.996 -1.540) 21.053 9.666 ( -6.426 -17.824 6.967) 20.187 9.912 ( -2.156 -12.755 -1.354) 13.007 10.095 ( 2.632 -7.932 1.621) 8.514 10.655 ( -3.996 -3.400 -1.419) 5.435 11.152 ( 5.549 0.249 5.124) 7.557 11.629 ( -3.552 3.504 -2.839) 5.740 11.894 ( 1.448 4.293 -2.048) 4.972 12.707 ( -4.344 0.489 2.425) 4.999 13.332 ( -8.402 0.284 -1.930) 8.626 13.775 ( 9.001 4.501 4.220) 10.912 13.924 ( -3.724 0.260 -1.071) 3.883 15.495 ( -2.345 0.707 -1.362) 2.802 15.629 ( -2.761 1.525 4.250) 5.292 15.770 ( 0.792 2.926 -1.650) 3.451 15.897 ( 1.581 3.519 2.782) 4.756 15.944 ( 0.426 -0.276 -5.993) 6.014 16.192 ( -5.742 -0.159 -1.776) 6.012 16.469 ( 1.258 2.250 0.261) 2.590 16.602 ( -2.589 -4.088 0.334) 4.851 17.677 ( 3.969 -0.831 0.734) 4.121 17.956 ( 6.184 5.170 -0.043) 8.060 18.157 ( -1.472 0.759 3.263) 3.659 18.301 ( 8.367 0.253 0.840) 8.413 19.014 ( -5.960 0.284 2.407) 6.434 19.595 ( 7.036 0.608 -6.655) 9.703 19.900 ( -2.643 9.054 4.228) 10.336 21.621 ( -3.261 2.760 -5.856) 7.248 27.857 ( 3.183 1.481 0.800) 3.600 28.911 ( -13.876 7.525 -12.983) 20.438 29.608 ( 0.324 0.290 2.653) 2.689 29.732 ( -2.434 6.763 -0.399) 7.198 29.986 ( -2.003 0.436 -0.799) 2.200 30.164 ( 0.235 2.663 -0.201) 2.681 30.416 ( 0.749 -8.008 -0.066) 8.044 30.703 ( 5.729 0.772 -0.494) 5.802 30.791 ( 0.198 -11.764 1.946) 11.925 31.146 ( -0.904 5.797 -7.516) 9.534 31.501 ( 7.431 -3.423 -3.787) 9.015 32.470 ( -1.491 3.883 4.098) 5.839 32.512 ( -5.570 5.591 3.033) 8.455 32.905 ( 9.305 -20.693 7.550) 23.912 33.987 ( -24.964 -23.572 -5.925) 34.842 35.734 ( 19.191 -7.481 12.151) 23.915 ======================= Grid point 257 (127/160) ======================= q-point: ( 0.33 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 15.538 -0.032 -13.891) 20.842 2.017 ( 0.943 -6.926 -23.900) 24.902 2.692 ( 15.772 -9.776 15.950) 24.469 2.931 ( -1.639 -10.036 -4.456) 11.102 3.077 ( -0.295 -35.724 -4.578) 36.018 3.126 ( -5.172 -28.622 -2.786) 29.219 3.245 ( -1.985 -22.042 -3.964) 22.483 3.279 ( 2.621 -38.956 4.708) 39.327 3.639 ( 4.040 -22.246 5.511) 23.272 3.682 ( -7.091 -6.367 5.236) 10.874 3.736 ( 2.479 -31.739 1.707) 31.881 4.130 ( 2.645 -2.658 5.781) 6.890 4.349 ( -9.233 -11.503 -1.426) 14.819 4.617 ( -5.235 -20.397 -2.579) 21.215 4.681 ( -3.709 -12.857 -3.420) 13.811 4.803 ( 6.199 0.329 0.028) 6.207 5.124 ( 9.009 -1.474 9.781) 13.379 5.361 ( 6.562 9.306 -0.421) 11.395 5.716 ( -1.869 2.342 -5.382) 6.159 6.058 ( -0.191 4.492 -0.486) 4.522 6.274 ( -7.163 3.382 3.570) 8.689 6.495 ( -2.408 7.813 1.936) 8.402 6.540 ( 0.300 11.972 0.179) 11.977 6.712 ( -4.955 5.330 2.899) 7.833 6.928 ( 3.620 6.951 -6.395) 10.115 7.341 ( 2.912 5.527 -0.818) 6.300 7.446 ( -2.766 3.184 -0.646) 4.267 7.779 ( 2.536 3.404 0.935) 4.347 8.111 ( 4.074 -0.723 -1.353) 4.353 8.259 ( -2.883 -3.645 -5.653) 7.318 8.474 ( -0.404 1.706 5.458) 5.733 8.850 ( 1.855 -2.605 -0.479) 3.234 8.938 ( 3.202 -12.723 -3.829) 13.667 9.182 ( 1.466 -0.317 -0.024) 1.500 9.859 ( -6.908 -9.995 0.765) 12.174 9.967 ( -1.028 -20.126 -1.574) 20.214 10.203 ( 0.110 -15.425 3.354) 15.786 10.340 ( -1.373 -19.891 4.952) 20.544 10.725 ( -3.307 -7.336 2.769) 8.510 11.204 ( 4.879 2.681 3.324) 6.484 11.502 ( -4.371 4.394 -3.319) 7.030 11.786 ( 1.442 7.836 -2.057) 8.229 12.684 ( -3.814 1.254 3.816) 5.539 13.199 ( -9.696 3.257 -7.126) 12.466 13.770 ( 8.108 5.558 0.896) 9.871 13.887 ( -2.687 0.033 -0.762) 2.793 15.445 ( -1.994 1.565 -1.673) 3.037 15.562 ( -2.799 4.694 0.546) 5.492 15.755 ( 3.711 -0.247 -2.459) 4.458 15.845 ( -0.926 4.604 2.368) 5.260 15.910 ( 0.270 1.150 -1.293) 1.751 16.146 ( -4.093 -0.575 -1.554) 4.415 16.462 ( -0.782 -1.112 -0.453) 1.433 16.616 ( -1.290 -0.177 -1.781) 2.206 17.729 ( 4.880 0.510 0.515) 4.933 17.868 ( 2.290 5.380 -1.111) 5.952 18.198 ( 0.229 -1.715 5.188) 5.469 18.379 ( 8.392 0.726 0.934) 8.475 19.018 ( -1.070 -1.073 4.346) 4.602 19.572 ( 3.614 2.110 -4.894) 6.439 19.792 ( 1.032 6.646 5.509) 8.694 21.491 ( -3.330 3.936 -5.450) 7.502 27.859 ( 2.676 1.672 0.353) 3.175 28.670 ( -5.599 3.018 -7.955) 10.185 29.638 ( -1.605 0.829 3.147) 3.628 29.649 ( 0.070 -0.615 0.194) 0.648 29.961 ( -1.317 -0.131 -1.124) 1.737 30.113 ( -0.197 3.442 0.646) 3.508 30.446 ( 3.495 4.980 -0.662) 6.119 30.640 ( 3.710 8.443 -2.298) 9.504 30.911 ( -4.623 0.022 0.466) 4.646 30.979 ( 0.019 4.881 -4.126) 6.391 31.643 ( 5.659 -6.200 -2.934) 8.892 32.381 ( -4.958 6.411 2.979) 8.634 32.498 ( -10.720 -12.390 2.175) 16.528 33.459 ( 10.119 -24.642 10.129) 28.499 34.275 ( -14.245 -30.295 -3.497) 33.659 36.070 ( 7.914 -10.258 6.953) 14.704 ======================= Grid point 258 (128/160) ======================= q-point: ( 0.44 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 13.496 0.871 -7.590) 15.508 1.960 ( 3.971 -1.399 -12.001) 12.718 2.868 ( -4.785 0.244 -4.351) 6.472 3.088 ( 8.064 -8.708 12.912) 17.538 3.315 ( -1.741 -8.201 -4.501) 9.516 3.534 ( -3.365 -13.655 -0.281) 14.066 3.631 ( -0.827 -23.874 0.164) 23.889 3.811 ( -1.936 -15.342 4.438) 16.088 3.993 ( 0.724 -20.348 4.427) 20.836 4.030 ( 1.214 -20.094 1.354) 20.177 4.189 ( 1.711 -15.300 -4.149) 15.945 4.313 ( 0.372 -12.146 5.464) 13.324 4.455 ( -1.186 -13.816 -4.641) 14.623 4.813 ( 0.461 -2.726 -0.616) 2.833 4.863 ( -1.139 -11.092 -3.942) 11.826 4.967 ( -5.012 -21.903 -1.559) 22.523 5.192 ( 1.509 3.578 5.264) 6.541 5.412 ( 10.859 -3.127 7.722) 13.686 5.676 ( 3.421 -0.496 -6.139) 7.046 5.872 ( -0.986 13.719 -1.482) 13.834 6.191 ( -8.903 4.326 2.704) 10.261 6.302 ( 3.411 13.032 3.572) 13.937 6.468 ( 0.008 -1.592 -1.123) 1.948 6.578 ( -9.886 3.890 1.468) 10.725 6.861 ( 6.284 1.849 -3.034) 7.219 7.227 ( -3.504 4.827 -1.905) 6.261 7.367 ( -1.441 2.057 -4.469) 5.126 7.761 ( 3.624 3.495 3.645) 6.215 8.147 ( 3.921 -1.599 -1.954) 4.664 8.288 ( 1.119 -4.937 -5.301) 7.330 8.476 ( -2.324 3.287 6.936) 8.019 8.843 ( -0.210 0.043 -2.671) 2.680 9.183 ( -1.211 -6.148 -1.673) 6.485 9.267 ( 8.898 -11.266 1.252) 14.411 9.942 ( -6.446 -6.742 -0.167) 9.329 10.173 ( -1.927 -5.188 -1.370) 5.701 10.457 ( 0.222 -13.344 2.952) 13.669 10.749 ( -0.724 -20.940 7.013) 22.095 10.876 ( -2.275 -10.595 2.427) 11.105 11.179 ( 4.452 6.717 1.395) 8.178 11.383 ( -4.538 2.790 -2.260) 5.786 11.634 ( 0.653 9.189 -1.351) 9.311 12.644 ( -4.103 3.143 3.187) 6.073 12.999 ( -4.867 3.631 -9.557) 11.323 13.768 ( 6.237 1.655 -0.459) 6.469 13.858 ( -1.630 1.139 0.046) 1.989 15.398 ( -0.933 1.022 -1.216) 1.842 15.469 ( -1.638 3.455 -0.816) 3.910 15.723 ( 0.934 4.128 -2.469) 4.900 15.845 ( 1.410 -1.997 3.218) 4.041 15.895 ( -0.817 -0.015 1.111) 1.379 16.117 ( -1.903 -0.065 -1.706) 2.557 16.458 ( -4.478 -2.253 -5.174) 7.204 16.588 ( 3.166 3.278 2.150) 5.039 17.720 ( 4.265 3.323 -0.751) 5.459 17.864 ( 2.610 -0.913 1.053) 2.959 18.264 ( -0.654 -1.702 4.380) 4.744 18.403 ( 2.510 1.536 -1.535) 3.319 19.076 ( 3.003 -1.129 2.543) 4.094 19.530 ( 1.887 3.147 0.495) 3.702 19.746 ( -2.264 2.798 2.421) 4.338 21.377 ( -1.435 3.046 -2.778) 4.365 27.848 ( 0.908 1.168 -0.976) 1.772 28.577 ( -0.677 0.923 -2.771) 2.998 29.623 ( -1.259 -0.928 0.243) 1.583 29.719 ( 1.302 -2.842 3.554) 4.733 29.955 ( -0.471 -0.928 -1.879) 2.148 30.064 ( -0.734 2.455 2.277) 3.428 30.317 ( 1.064 9.783 -2.164) 10.076 30.475 ( 1.889 10.404 -3.652) 11.187 30.815 ( -1.279 1.992 -2.911) 3.751 30.945 ( -0.270 1.852 1.935) 2.692 31.679 ( 4.039 3.563 -1.476) 5.585 32.271 ( -4.080 4.131 2.002) 6.141 32.734 ( -9.798 -20.936 1.403) 23.158 33.955 ( 7.298 -15.864 8.434) 19.392 34.652 ( -7.359 -24.449 0.134) 25.533 36.300 ( 1.009 -9.728 -0.378) 9.788 ======================= Grid point 259 (129/160) ======================= q-point: ( 0.56 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 9.293 4.629 -3.038) 10.817 1.981 ( 6.426 0.916 5.729) 8.657 2.790 ( -9.300 -0.855 -2.461) 9.658 3.309 ( 3.858 1.715 -0.252) 4.229 3.349 ( 0.740 -3.634 4.678) 5.970 3.656 ( -0.811 -7.059 -0.751) 7.145 3.846 ( -5.061 -6.533 -4.686) 9.500 4.077 ( -0.900 -8.237 3.523) 9.004 4.182 ( -1.994 -8.287 -3.530) 9.225 4.267 ( -1.692 -10.727 -1.417) 10.951 4.378 ( -1.557 5.371 0.177) 5.595 4.407 ( 0.764 -6.688 -0.874) 6.788 4.633 ( 3.470 -7.281 -0.267) 8.070 4.837 ( 5.095 5.588 0.741) 7.598 5.049 ( 3.732 -10.669 1.808) 11.447 5.211 ( -3.077 -10.862 -1.249) 11.358 5.216 ( -1.153 -0.411 4.943) 5.093 5.559 ( 6.240 11.684 2.068) 13.406 5.596 ( 2.477 0.862 -1.904) 3.241 5.702 ( -4.828 -2.555 -3.330) 6.397 6.060 ( -5.429 3.953 -0.220) 6.719 6.220 ( 4.690 3.418 2.306) 6.245 6.429 ( -9.743 -0.334 2.193) 9.993 6.568 ( 2.301 -3.783 -1.705) 4.745 6.874 ( 4.691 1.635 -0.641) 5.009 7.131 ( -3.738 1.059 -0.470) 3.913 7.313 ( -2.252 -2.195 -4.748) 5.694 7.771 ( 4.514 3.133 4.705) 7.234 8.175 ( 1.851 0.843 -0.745) 2.166 8.360 ( 3.067 -5.996 -6.089) 9.079 8.435 ( -1.180 5.117 7.447) 9.112 8.822 ( -0.815 -0.464 -2.358) 2.538 9.217 ( -0.691 -1.444 -1.292) 2.057 9.507 ( 5.044 -3.679 1.441) 6.408 9.980 ( -6.134 -3.418 0.100) 7.023 10.174 ( 0.912 -1.707 -0.246) 1.951 10.687 ( 0.172 -9.744 2.704) 10.114 10.979 ( 1.194 3.042 -1.248) 3.498 11.057 ( 0.161 -8.402 2.478) 8.761 11.146 ( 1.154 -1.816 1.161) 2.445 11.303 ( -2.037 0.785 -0.042) 2.183 11.489 ( -0.242 5.474 -1.336) 5.639 12.577 ( -3.028 0.823 0.245) 3.147 12.914 ( 0.155 -0.867 -2.598) 2.743 13.764 ( -0.388 3.385 1.112) 3.584 13.854 ( 3.147 -1.328 -0.731) 3.493 15.372 ( -1.516 0.200 -1.378) 2.058 15.426 ( 0.420 -0.040 -0.482) 0.641 15.662 ( -0.040 1.977 0.680) 2.092 15.856 ( -1.335 1.961 1.259) 2.686 15.961 ( 1.286 -3.690 1.442) 4.165 16.096 ( 0.865 -0.418 -1.915) 2.142 16.394 ( -5.992 -1.948 -7.948) 10.142 16.600 ( 3.908 2.745 5.852) 7.553 17.706 ( 3.777 2.105 0.059) 4.324 17.899 ( 2.583 0.435 0.117) 2.622 18.298 ( -1.587 -0.562 2.031) 2.638 18.350 ( -3.303 1.903 -3.648) 5.276 19.124 ( 4.730 -0.516 -2.149) 5.221 19.514 ( 1.508 3.588 7.095) 8.092 19.673 ( -7.984 0.891 -2.516) 8.419 21.341 ( 1.305 0.245 1.060) 1.699 27.818 ( -1.435 0.554 -2.265) 2.738 28.575 ( 2.493 -0.222 1.370) 2.853 29.652 ( 1.524 -1.993 0.257) 2.523 29.784 ( 0.502 -0.307 1.699) 1.798 29.938 ( -2.629 -0.120 -1.010) 2.819 30.075 ( 1.519 -0.337 1.670) 2.282 30.171 ( -0.423 3.721 -0.859) 3.842 30.305 ( 0.210 6.211 -3.046) 6.921 30.793 ( 0.277 -0.451 -0.610) 0.808 30.924 ( -0.454 1.081 0.527) 1.285 31.624 ( 1.757 3.614 -0.807) 4.098 32.215 ( -2.806 0.737 2.176) 3.627 32.979 ( -4.371 -12.682 -0.081) 13.415 34.206 ( 5.002 -1.606 5.583) 7.666 34.936 ( -1.799 -11.158 2.960) 11.683 36.401 ( -1.520 -5.474 -7.733) 9.595 ======================= Grid point 260 (130/160) ======================= q-point: (-0.33 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 4.137 7.746 0.284) 8.786 2.114 ( 9.459 2.990 21.465) 23.646 2.675 ( -13.567 2.396 -3.845) 14.303 3.201 ( 1.875 6.742 -1.572) 7.172 3.475 ( 4.168 -1.335 4.076) 5.980 3.717 ( -0.597 0.615 -1.859) 2.047 3.809 ( -5.667 -1.087 -7.369) 9.359 3.945 ( -4.070 15.257 -5.708) 16.791 4.211 ( -4.217 3.624 -4.191) 6.963 4.258 ( 2.020 6.008 -1.041) 6.423 4.304 ( 0.131 8.113 1.292) 8.217 4.464 ( 1.012 1.176 -1.383) 2.078 4.680 ( -0.262 6.397 0.918) 6.467 4.772 ( 3.459 2.456 0.879) 4.333 5.102 ( 0.659 11.511 6.125) 13.055 5.224 ( 1.118 4.427 -2.838) 5.376 5.274 ( 1.632 -1.077 2.721) 3.351 5.447 ( 4.693 7.350 1.528) 8.853 5.535 ( -1.189 3.735 -0.321) 3.933 5.769 ( -1.790 -7.463 -0.167) 7.677 5.991 ( -3.317 -4.012 -3.496) 6.271 6.232 ( -3.921 -4.445 -4.408) 7.387 6.449 ( -1.333 -2.213 8.145) 8.545 6.627 ( 0.111 -3.285 -2.847) 4.349 6.873 ( 7.835 1.522 -2.742) 8.439 7.124 ( -4.643 -2.347 2.469) 5.759 7.346 ( -1.169 -6.105 -1.967) 6.520 7.788 ( 4.471 3.473 4.580) 7.282 8.131 ( -1.438 4.081 1.391) 4.545 8.419 ( 4.074 3.446 6.429) 8.355 8.428 ( 1.204 -4.282 -7.054) 8.339 8.813 ( -2.118 -1.122 -1.049) 2.616 9.189 ( -3.105 2.586 -1.420) 4.283 9.437 ( 1.591 12.355 1.368) 12.532 9.999 ( -1.369 -2.760 -0.040) 3.081 10.286 ( 3.278 -4.791 1.923) 6.116 10.699 ( 1.318 10.532 -1.319) 10.696 10.949 ( -0.470 1.248 0.349) 1.379 11.027 ( 0.567 6.614 -3.174) 7.358 11.080 ( -1.798 6.604 -1.853) 7.091 11.394 ( 2.606 -6.832 0.268) 7.317 11.491 ( -0.472 -5.599 -0.169) 5.622 12.610 ( -0.703 -5.672 -0.413) 5.731 12.981 ( 0.922 -6.161 3.569) 7.179 13.691 ( -2.087 4.513 1.673) 5.246 13.913 ( 3.931 -1.991 -0.233) 4.413 15.363 ( -0.877 -1.752 -0.105) 1.962 15.457 ( 0.871 -3.038 -0.860) 3.275 15.668 ( -0.701 -0.646 3.401) 3.533 15.806 ( -2.462 1.729 -0.957) 3.157 15.980 ( 3.495 2.304 -1.289) 4.380 16.160 ( 3.408 -4.446 0.212) 5.606 16.337 ( -7.016 -3.938 -6.214) 10.165 16.631 ( 1.811 1.583 5.977) 6.443 17.702 ( 2.735 2.096 0.792) 3.536 17.883 ( 1.469 2.796 -1.720) 3.597 18.244 ( -5.656 1.883 -5.140) 7.872 18.291 ( -1.480 0.871 0.369) 1.756 19.141 ( 4.765 0.436 -3.799) 6.110 19.499 ( -8.899 3.131 7.344) 11.956 19.594 ( -0.653 -0.821 -2.699) 2.896 21.400 ( 2.729 -2.761 3.880) 5.489 27.779 ( -2.741 -0.324 -2.613) 3.801 28.640 ( 4.295 -1.746 4.257) 6.295 29.710 ( 4.379 -0.957 0.787) 4.551 29.738 ( -0.390 4.602 -1.752) 4.939 29.918 ( -4.895 -2.360 -0.698) 5.479 30.069 ( 1.562 1.785 -0.146) 2.376 30.196 ( 1.438 -3.379 -0.504) 3.707 30.295 ( -1.601 -6.570 2.018) 7.057 30.810 ( 0.303 -1.044 1.934) 2.218 30.920 ( 0.051 -1.522 -1.688) 2.273 31.596 ( 0.152 -0.148 -0.425) 0.475 32.230 ( -2.203 -2.557 2.745) 4.351 33.064 ( 0.318 -0.003 -1.600) 1.631 34.160 ( 3.260 14.627 1.876) 15.103 35.030 ( 3.362 3.804 4.781) 6.973 36.328 ( -3.819 2.922 -13.976) 14.780 ======================= Grid point 261 (131/160) ======================= q-point: (-0.22 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 1.586 8.021 4.756) 9.459 2.325 ( 8.756 2.901 24.114) 25.818 2.425 ( -9.822 9.476 -3.666) 14.132 3.118 ( 1.663 7.947 3.014) 8.660 3.461 ( -3.879 11.069 -3.944) 12.374 3.525 ( -0.455 11.016 -3.604) 11.600 3.638 ( -3.091 11.861 -1.805) 12.390 3.695 ( -0.828 9.080 -4.623) 10.223 3.885 ( -2.922 30.007 1.506) 30.186 4.031 ( 2.789 17.268 -6.239) 18.571 4.107 ( -0.220 15.274 -0.039) 15.276 4.327 ( 4.271 19.813 -0.446) 20.273 4.576 ( -2.192 1.747 5.601) 6.263 4.638 ( -6.803 12.159 -7.920) 16.026 4.989 ( 5.666 11.440 -2.826) 13.075 5.086 ( -1.996 6.574 1.796) 7.102 5.169 ( 2.541 14.143 -1.153) 14.415 5.292 ( 6.320 13.601 5.298) 15.906 5.582 ( -2.116 -9.991 0.827) 10.246 5.920 ( 0.948 -10.957 0.466) 11.007 6.162 ( -1.717 -18.655 -2.922) 18.961 6.251 ( -4.534 -5.004 -1.913) 7.019 6.537 ( 4.694 -1.209 1.646) 5.119 6.656 ( -5.948 -5.342 1.260) 8.094 6.912 ( 6.361 -0.615 -4.461) 7.794 7.150 ( -3.113 -2.276 2.752) 4.738 7.459 ( 0.535 -7.595 0.527) 7.632 7.783 ( 2.382 3.981 3.353) 5.724 8.077 ( -1.441 2.569 4.991) 5.795 8.402 ( -0.935 -0.337 -10.876) 10.921 8.468 ( 6.734 2.385 7.679) 10.488 8.786 ( -5.021 0.986 -2.706) 5.788 9.062 ( -3.046 7.162 3.190) 8.411 9.278 ( 2.950 8.279 -0.583) 8.808 10.012 ( 0.242 2.194 0.180) 2.215 10.295 ( 1.286 9.528 3.395) 10.196 10.468 ( 1.023 15.422 -0.162) 15.457 10.708 ( 0.877 17.199 -6.553) 18.426 10.898 ( 0.984 8.187 -5.069) 9.679 11.060 ( -1.527 -3.132 -1.090) 3.651 11.499 ( 1.306 -4.010 0.671) 4.271 11.628 ( -0.103 -9.468 1.106) 9.533 12.697 ( 0.499 -4.682 -1.553) 4.958 13.171 ( -0.967 -11.947 2.992) 12.354 13.613 ( -1.303 4.386 1.685) 4.876 13.972 ( 3.147 -1.387 0.111) 3.441 15.423 ( -0.175 -3.761 2.999) 4.813 15.528 ( 1.229 -6.191 -1.638) 6.521 15.686 ( -2.607 1.003 4.508) 5.303 15.768 ( -0.955 -1.405 -3.996) 4.342 15.980 ( 5.125 0.582 -0.537) 5.185 16.249 ( 4.029 -2.191 -2.067) 5.031 16.329 ( -5.639 -4.880 -1.126) 7.542 16.652 ( -1.980 0.558 3.887) 4.398 17.687 ( 0.834 2.228 0.969) 2.569 17.819 ( -0.236 2.490 -2.195) 3.327 18.150 ( -3.992 0.107 -3.321) 5.194 18.258 ( 0.609 1.928 -1.194) 2.348 19.133 ( 3.110 2.028 -1.236) 3.913 19.428 ( -10.336 -2.277 2.472) 10.869 19.633 ( 3.424 -1.892 1.124) 4.070 21.515 ( 2.295 -4.281 4.468) 6.600 27.757 ( -2.095 -1.625 -2.171) 3.427 28.767 ( 4.624 -4.821 5.722) 8.796 29.639 ( -1.616 3.663 -0.990) 4.124 29.758 ( 5.887 0.660 -0.952) 6.000 29.946 ( -3.903 -4.999 1.095) 6.436 30.056 ( 1.068 -0.207 -1.970) 2.250 30.267 ( -0.973 -3.814 0.228) 3.942 30.447 ( -0.836 -9.014 2.490) 9.389 30.884 ( -0.309 -5.425 3.574) 6.504 30.955 ( 1.557 -3.883 -2.098) 4.680 31.613 ( -0.099 -1.005 -0.101) 1.015 32.294 ( -2.420 -4.450 2.657) 5.720 32.976 ( 2.323 9.280 -2.136) 9.802 33.784 ( 1.712 31.047 -3.951) 31.345 34.958 ( 7.992 13.738 6.122) 17.032 36.019 ( -8.688 14.657 -15.939) 23.331 ======================= Grid point 262 (132/160) ======================= q-point: (-0.11 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 3.249 3.940 7.877) 9.388 2.134 ( -5.237 7.495 -8.433) 12.439 2.497 ( 9.324 16.419 22.969) 29.734 2.907 ( -2.457 19.785 -5.748) 20.749 3.000 ( -3.916 28.826 0.684) 29.098 3.195 ( -2.045 38.814 1.935) 38.916 3.302 ( 5.459 32.523 9.361) 34.281 3.376 ( -1.865 15.280 -5.611) 16.384 3.513 ( 0.208 6.224 3.947) 7.373 3.720 ( -0.679 25.337 0.420) 25.350 3.836 ( -1.838 3.666 -9.268) 10.135 3.920 ( 0.251 24.676 -3.659) 24.947 4.334 ( -5.015 5.670 -9.400) 12.069 4.619 ( 0.477 2.593 5.372) 5.984 4.667 ( -4.034 17.992 2.796) 18.649 4.780 ( 6.423 18.661 -6.823) 20.881 5.177 ( 4.296 7.167 0.986) 8.414 5.263 ( 0.986 -10.589 -0.194) 10.637 5.800 ( 2.033 -13.197 1.156) 13.403 6.115 ( 0.187 -10.114 -1.145) 10.181 6.273 ( -2.968 -3.254 1.353) 4.607 6.489 ( 0.166 -18.128 0.107) 18.129 6.582 ( -0.747 -3.607 -2.070) 4.225 6.765 ( -0.116 -7.082 4.761) 8.534 6.893 ( -1.270 0.332 -5.389) 5.547 7.190 ( 2.063 -1.361 0.210) 2.481 7.594 ( 0.188 -6.269 0.837) 6.328 7.746 ( -1.138 2.754 1.803) 3.483 8.066 ( 1.047 6.286 4.291) 7.683 8.337 ( -1.889 -5.808 -6.308) 8.780 8.541 ( 7.396 2.673 5.843) 9.797 8.650 ( -5.443 4.543 -3.536) 7.923 9.014 ( 0.015 2.041 4.678) 5.104 9.171 ( 0.234 4.821 -2.055) 5.246 9.893 ( -1.422 12.807 2.673) 13.160 10.066 ( 0.927 17.682 -2.517) 17.884 10.219 ( 0.760 15.744 3.078) 16.060 10.332 ( 1.040 21.139 -8.121) 22.669 10.769 ( 0.299 3.507 -1.801) 3.954 11.058 ( -1.340 0.909 -1.142) 1.981 11.594 ( 0.366 -5.772 0.572) 5.812 11.787 ( 0.243 -7.531 1.401) 7.664 12.748 ( -0.360 -2.303 -0.865) 2.486 13.362 ( -4.117 -10.678 0.755) 11.469 13.553 ( 1.932 3.488 0.583) 4.030 14.001 ( 0.808 -0.117 -0.447) 0.931 15.485 ( -2.145 -1.469 4.342) 5.061 15.652 ( 0.031 -1.882 -1.856) 2.643 15.694 ( 0.922 -5.922 2.574) 6.523 15.773 ( -1.139 -3.387 -3.665) 5.119 16.017 ( 4.782 -0.440 -1.980) 5.195 16.275 ( -1.584 -2.585 -1.328) 3.310 16.384 ( 1.517 -1.933 1.366) 2.811 16.620 ( -4.230 2.388 1.508) 5.086 17.660 ( 0.457 1.868 0.397) 1.963 17.801 ( -0.010 -1.931 -0.616) 2.027 18.137 ( -1.599 -2.651 -0.631) 3.159 18.226 ( 2.605 1.757 -2.107) 3.783 19.117 ( -1.492 0.255 1.259) 1.969 19.462 ( -0.454 -3.773 2.815) 4.730 19.736 ( 1.454 -8.430 -0.475) 8.568 21.631 ( 0.972 -4.239 2.868) 5.210 27.771 ( 0.092 -2.648 -1.832) 3.222 28.971 ( 2.608 -11.554 4.607) 12.709 29.586 ( -0.952 0.770 -0.369) 1.279 29.773 ( 0.798 -0.172 -0.826) 1.162 30.015 ( 0.816 -1.636 1.681) 2.484 30.077 ( -0.150 -4.785 -2.465) 5.385 30.308 ( -0.037 -2.299 -0.027) 2.300 30.586 ( -0.404 -5.791 1.250) 5.938 30.976 ( -2.120 -1.295 2.600) 3.596 31.076 ( 2.863 -8.446 -0.370) 8.926 31.570 ( 1.407 8.191 -0.509) 8.326 32.368 ( -2.057 -4.417 1.282) 5.038 32.788 ( -2.355 11.058 -0.727) 11.329 33.155 ( 3.421 35.593 -7.479) 36.531 34.818 ( 6.221 14.269 4.473) 16.196 35.503 ( -9.099 24.311 -7.760) 27.093 ======================= Grid point 265 (133/160) ======================= q-point: ( 0.22 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 4.982 -0.000 -14.436) 15.272 1.659 ( 14.787 -0.000 -21.543) 26.129 1.821 ( 1.198 -0.000 0.650) 1.363 2.088 ( 3.637 -0.000 -4.600) 5.864 2.386 ( 9.722 -0.000 -27.716) 29.372 2.559 ( 0.459 -0.000 -3.614) 3.643 2.679 ( 13.558 -0.000 22.658) 26.404 2.928 ( -1.089 0.000 9.848) 9.908 3.101 ( -13.969 0.000 -11.590) 18.151 3.242 ( 8.479 -0.000 2.533) 8.850 3.750 ( -7.785 0.000 11.997) 14.301 3.999 ( -13.709 0.000 1.585) 13.800 4.144 ( 4.196 -0.000 9.871) 10.725 4.252 ( -4.572 0.000 -6.494) 7.943 4.535 ( -2.182 0.000 -4.165) 4.702 4.823 ( 7.013 -0.000 -1.036) 7.089 5.093 ( 14.356 -0.000 10.959) 18.061 5.588 ( 6.410 -0.000 -0.512) 6.431 5.786 ( -11.620 0.000 -5.084) 12.684 5.999 ( 0.219 -0.000 -1.550) 1.565 6.439 ( -12.965 0.000 -0.849) 12.993 6.500 ( -4.938 0.000 4.875) 6.939 6.823 ( 5.879 -0.000 1.686) 6.116 6.997 ( 1.834 -0.000 -8.180) 8.383 7.040 ( -5.409 0.000 2.957) 6.164 7.455 ( 9.208 -0.000 4.126) 10.090 7.616 ( 1.911 -0.000 0.991) 2.153 7.864 ( 1.980 -0.000 1.260) 2.347 7.949 ( 8.041 -0.000 3.821) 8.902 8.221 ( -7.945 0.000 -7.796) 11.131 8.544 ( 5.934 -0.000 -2.218) 6.335 8.734 ( -5.064 0.000 -0.705) 5.113 8.873 ( -2.735 0.000 -3.992) 4.839 9.239 ( 1.361 -0.000 -0.540) 1.464 9.364 ( -2.184 0.000 5.867) 6.261 9.483 ( -2.051 0.000 2.273) 3.062 9.767 ( -2.382 0.000 -1.789) 2.979 10.075 ( 3.875 -0.000 2.263) 4.488 10.572 ( -3.762 0.000 -1.849) 4.192 11.245 ( 5.718 -0.000 5.575) 7.986 11.595 ( -5.290 0.000 -4.466) 6.923 11.929 ( 2.236 -0.000 -2.573) 3.408 12.698 ( -3.810 0.000 3.330) 5.060 13.217 ( -11.265 0.000 -7.576) 13.576 13.875 ( -0.408 0.000 0.900) 0.988 13.937 ( 3.595 -0.000 3.642) 5.117 15.468 ( -2.768 0.000 -1.601) 3.198 15.648 ( -2.412 0.000 1.686) 2.943 15.791 ( -0.823 0.000 -0.213) 0.850 15.900 ( 2.138 -0.000 -6.388) 6.737 15.970 ( 1.798 -0.000 3.695) 4.109 16.128 ( -5.594 0.000 -2.175) 6.002 16.444 ( -8.269 0.000 -3.824) 9.110 16.562 ( 4.555 -0.000 -0.554) 4.588 17.716 ( 5.241 -0.000 1.543) 5.463 18.052 ( 3.914 -0.000 -0.423) 3.937 18.179 ( -1.821 0.000 4.272) 4.644 18.398 ( 10.032 -0.000 2.908) 10.445 19.003 ( -1.793 0.000 3.712) 4.122 19.628 ( 6.928 -0.000 -2.237) 7.280 19.983 ( -4.772 0.000 5.300) 7.131 21.573 ( -2.789 0.000 -6.511) 7.083 27.895 ( 2.253 -0.000 -0.365) 2.282 28.757 ( -11.299 0.000 -13.369) 17.504 29.636 ( 0.805 -0.000 3.334) 3.429 29.835 ( -3.146 0.000 -0.957) 3.288 29.978 ( -1.641 0.000 1.187) 2.026 30.155 ( -1.200 0.000 0.141) 1.208 30.223 ( 0.560 -0.000 -0.586) 0.810 30.734 ( 6.620 -0.000 0.305) 6.627 30.791 ( 5.208 -0.000 0.218) 5.213 31.124 ( -1.244 0.000 -9.231) 9.314 31.522 ( 7.395 -0.000 -4.713) 8.769 32.549 ( -1.318 0.000 0.141) 1.326 32.644 ( 1.246 -0.000 -0.680) 1.419 32.804 ( 6.057 -0.000 18.741) 19.696 33.490 ( -24.163 0.000 -5.256) 24.728 35.883 ( 11.593 -0.000 7.931) 14.047 ======================= Grid point 266 (134/160) ======================= q-point: ( 0.33 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 12.870 -14.759 -14.834) 24.567 1.707 ( 12.921 -12.208 -14.808) 23.136 2.240 ( 2.908 -41.132 -5.746) 41.633 2.423 ( 6.973 -25.611 -14.840) 30.410 2.528 ( 7.634 -40.966 -0.573) 41.676 2.819 ( -1.383 -14.995 -2.342) 15.239 2.932 ( -8.065 -6.905 -0.025) 10.617 2.975 ( 9.751 -6.073 9.903) 15.167 3.128 ( -3.196 -22.109 3.720) 22.646 3.432 ( 7.963 -11.985 2.889) 14.677 3.734 ( -7.585 2.656 11.479) 14.013 4.017 ( -10.923 -9.711 -0.136) 14.616 4.165 ( -2.486 -2.804 -2.386) 4.442 4.287 ( -6.911 -10.597 -1.913) 12.795 4.505 ( 0.516 -2.689 -3.855) 4.729 4.862 ( 3.802 1.126 1.555) 4.260 5.316 ( 15.053 0.545 14.120) 20.646 5.568 ( 6.027 7.686 0.309) 9.772 5.675 ( -4.730 0.518 -2.960) 5.604 6.032 ( 1.557 -3.236 -1.123) 3.763 6.279 ( -14.229 4.052 -0.248) 14.797 6.492 ( -8.805 -1.310 1.689) 9.061 6.763 ( 3.352 11.238 2.653) 12.024 6.882 ( 3.720 8.366 -4.129) 10.044 6.981 ( -4.289 3.398 -2.548) 6.036 7.481 ( -0.894 9.312 5.024) 10.618 7.549 ( 6.931 7.475 -2.361) 10.464 7.841 ( 2.255 1.538 -0.509) 2.777 8.133 ( 4.291 -3.784 3.744) 6.838 8.152 ( -1.269 -3.439 -2.793) 4.608 8.544 ( -2.052 5.646 1.083) 6.104 8.731 ( 6.505 -10.752 -2.391) 12.792 8.831 ( -0.049 -0.143 -3.352) 3.355 9.196 ( 1.091 1.594 -2.556) 3.204 9.578 ( -11.024 -14.821 3.045) 18.721 9.642 ( 2.030 -16.575 2.228) 16.847 9.911 ( -1.458 -19.088 4.344) 19.630 10.166 ( 2.589 -5.343 1.956) 6.251 10.595 ( -2.539 -6.029 1.039) 6.624 11.307 ( 4.089 1.658 3.452) 5.603 11.492 ( -5.313 2.621 -4.619) 7.513 11.890 ( 2.290 4.510 -2.584) 5.679 12.693 ( -3.871 0.299 3.793) 5.428 13.048 ( -11.809 -0.513 -13.017) 17.583 13.866 ( -0.420 0.251 -1.049) 1.158 13.944 ( 3.873 5.147 2.897) 7.062 15.429 ( -2.685 0.505 -1.848) 3.298 15.602 ( -2.783 2.809 -1.376) 4.187 15.773 ( 1.568 0.982 -0.880) 2.049 15.868 ( 0.497 1.034 -4.437) 4.583 15.983 ( 1.627 3.074 3.796) 5.149 16.082 ( -4.280 -1.276 -1.799) 4.815 16.380 ( -4.498 -1.963 -3.829) 6.225 16.604 ( 3.181 -1.376 -0.761) 3.548 17.782 ( 6.295 -0.541 1.996) 6.626 17.990 ( 0.902 6.898 -1.745) 7.172 18.218 ( 0.225 -0.727 5.686) 5.737 18.467 ( 4.799 1.505 1.320) 5.199 19.043 ( 3.626 -0.503 3.208) 4.867 19.656 ( 5.324 2.948 2.404) 6.543 19.919 ( -5.619 6.148 5.358) 9.903 21.490 ( -1.290 2.633 -4.720) 5.556 27.890 ( 1.630 0.956 -2.778) 3.359 28.616 ( -2.433 1.027 -5.968) 6.526 29.674 ( -0.158 0.238 4.991) 4.999 29.694 ( 0.011 6.756 0.009) 6.756 29.963 ( -0.742 1.314 1.039) 1.832 30.163 ( 0.262 2.208 -0.310) 2.245 30.403 ( -2.094 -13.163 1.066) 13.372 30.785 ( 5.479 5.791 -2.555) 8.372 30.817 ( -0.570 -5.540 0.796) 5.626 31.017 ( 0.567 3.835 -7.056) 8.051 31.552 ( 6.385 -3.383 -4.333) 8.425 32.380 ( -8.574 9.273 0.274) 12.633 32.544 ( 0.278 8.707 1.640) 8.864 33.241 ( 6.886 -23.906 16.190) 29.682 33.600 ( -12.811 -28.221 -1.735) 31.041 36.004 ( 0.781 -5.032 -0.464) 5.114 ======================= Grid point 267 (135/160) ======================= q-point: ( 0.44 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 18.187 -1.702 -9.879) 20.767 1.893 ( 14.582 -5.922 -7.008) 17.228 2.748 ( -10.558 -1.780 -4.467) 11.601 2.925 ( 3.138 -34.075 -6.557) 34.842 3.027 ( 0.792 -40.069 -3.757) 40.252 3.117 ( -2.200 -13.462 2.119) 13.804 3.262 ( 8.273 -12.010 9.848) 17.598 3.441 ( 6.933 -44.202 3.247) 44.860 3.615 ( -3.525 -25.458 -1.918) 25.773 3.753 ( -0.381 -6.818 8.327) 10.769 3.850 ( 3.881 -26.639 2.344) 27.022 3.993 ( -12.018 -5.309 -8.803) 15.815 4.291 ( -1.883 -12.260 -0.114) 12.404 4.477 ( -8.529 -21.294 -1.086) 22.964 4.608 ( 2.771 -10.180 -0.280) 10.554 4.862 ( 1.200 2.313 1.254) 2.892 5.403 ( 3.879 9.962 7.136) 12.854 5.552 ( 9.806 1.427 6.858) 12.051 5.646 ( 3.109 0.258 -3.374) 4.595 6.004 ( -4.318 7.023 -6.530) 10.517 6.153 ( -8.086 -3.067 3.397) 9.292 6.431 ( -7.348 0.826 -0.190) 7.396 6.591 ( 2.238 12.621 3.023) 13.169 6.696 ( -1.992 14.145 1.940) 14.415 6.904 ( 2.981 1.101 -2.710) 4.176 7.280 ( -7.769 8.628 1.228) 11.675 7.428 ( 5.765 9.335 -7.759) 13.438 7.859 ( 3.397 0.536 2.033) 3.995 8.162 ( 3.967 1.693 -1.356) 4.521 8.224 ( 3.080 -3.037 1.023) 4.445 8.526 ( -1.868 -0.348 5.238) 5.572 8.816 ( 0.245 0.039 -2.943) 2.953 9.002 ( 5.043 -13.429 -0.481) 14.353 9.197 ( 3.673 -4.405 -3.765) 6.861 9.710 ( -10.349 -11.709 0.283) 15.629 9.993 ( 3.275 -16.032 1.677) 16.449 10.278 ( -0.205 -11.897 5.404) 13.069 10.396 ( -1.869 -24.146 6.618) 25.106 10.719 ( -2.799 -8.086 3.657) 9.306 11.295 ( -0.575 1.734 -1.876) 2.618 11.381 ( -1.295 4.640 -0.773) 4.879 11.780 ( 1.490 8.118 -2.156) 8.531 12.656 ( -6.899 1.548 -0.006) 7.071 12.892 ( -4.564 -1.187 -11.345) 12.286 13.849 ( 2.719 1.347 -1.237) 3.277 13.900 ( 2.090 4.554 1.533) 5.240 15.385 ( -1.986 0.581 -2.033) 2.901 15.509 ( -2.207 3.814 -1.656) 4.708 15.773 ( 3.169 1.925 -3.150) 4.865 15.823 ( -1.725 -0.759 0.586) 1.973 15.960 ( 1.219 3.703 3.290) 5.101 16.071 ( -2.644 -1.594 -1.212) 3.317 16.350 ( -2.556 -1.270 -5.793) 6.458 16.648 ( 2.833 -0.660 1.104) 3.111 17.841 ( 7.139 4.344 0.773) 8.393 17.893 ( 2.167 1.709 0.679) 2.842 18.267 ( -0.648 -0.783 4.022) 4.148 18.441 ( -1.504 3.073 -0.823) 3.519 19.105 ( 5.618 -0.362 -0.069) 5.630 19.656 ( 3.632 3.207 2.329) 5.375 19.790 ( -7.105 7.256 6.158) 11.876 21.408 ( 0.302 3.141 -2.424) 3.979 27.854 ( 0.616 1.389 -3.947) 4.230 28.581 ( 1.641 0.494 -0.736) 1.865 29.612 ( -0.665 1.278 -0.346) 1.482 29.739 ( 1.322 -0.615 6.656) 6.813 29.943 ( 0.138 0.941 -0.198) 0.972 30.118 ( -0.312 2.949 0.974) 3.121 30.458 ( 0.234 5.408 -0.803) 5.472 30.642 ( 1.893 10.520 -4.937) 11.775 30.818 ( -1.928 2.042 -2.562) 3.802 30.979 ( 1.285 0.405 0.443) 1.418 31.708 ( 7.011 -6.544 -1.949) 9.786 32.240 ( -13.750 -4.241 1.636) 14.482 32.440 ( -1.299 1.165 0.634) 1.857 33.837 ( 9.827 -19.073 19.212) 28.801 34.055 ( -8.456 -36.070 -1.750) 37.090 36.075 ( -5.903 -10.319 -8.549) 14.643 ======================= Grid point 268 (136/160) ======================= q-point: ( 0.56 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 11.536 1.866 -8.685) 14.559 2.120 ( 18.333 -2.759 10.861) 21.487 2.669 ( -10.200 -1.797 -1.688) 10.494 3.250 ( 1.029 -10.170 -4.861) 11.319 3.323 ( -0.800 -7.807 4.952) 9.280 3.482 ( -1.290 -14.022 -2.057) 14.231 3.565 ( -3.514 -13.997 0.129) 14.432 3.892 ( -3.074 -12.568 1.835) 13.068 3.931 ( 0.801 -16.594 -1.675) 16.697 3.991 ( -2.850 -14.618 -6.224) 16.142 4.182 ( 3.787 -25.001 1.675) 25.342 4.338 ( -1.778 -15.085 -0.430) 15.196 4.482 ( 2.316 -11.829 1.877) 12.199 4.744 ( -5.089 -14.564 -5.003) 16.219 4.862 ( 4.041 -14.418 0.877) 14.999 4.948 ( 0.752 -15.915 3.159) 16.243 5.318 ( 2.579 7.328 6.520) 10.142 5.611 ( 0.220 1.229 -4.935) 5.091 5.644 ( 2.570 2.027 4.303) 5.406 5.800 ( 3.508 8.215 -5.509) 10.495 6.121 ( -7.274 5.296 5.655) 10.627 6.361 ( -6.845 1.763 -2.666) 7.554 6.406 ( 0.129 13.008 3.565) 13.488 6.535 ( 1.226 0.349 0.558) 1.391 6.922 ( 2.558 -0.093 1.271) 2.858 7.134 ( -6.566 3.547 2.154) 7.767 7.264 ( 3.220 4.513 -10.077) 11.501 7.886 ( 3.116 1.939 3.453) 5.039 8.172 ( 3.118 -1.454 -3.174) 4.681 8.301 ( 4.223 -1.109 0.206) 4.371 8.543 ( -0.485 2.008 6.152) 6.490 8.782 ( -1.590 0.039 -3.356) 3.714 9.148 ( -0.309 -4.520 -1.988) 4.947 9.416 ( 7.961 -13.225 0.109) 15.437 9.819 ( -8.290 -9.200 0.982) 12.423 10.151 ( 0.319 -1.686 -0.416) 1.765 10.536 ( 1.875 -13.318 4.904) 14.315 10.842 ( 2.098 -15.004 1.808) 15.257 10.864 ( -4.597 -14.198 6.360) 16.222 11.256 ( -1.640 -0.781 -1.849) 2.592 11.281 ( 0.359 7.211 0.547) 7.241 11.617 ( 0.064 9.850 -1.756) 10.006 12.547 ( -5.643 0.952 -5.160) 7.706 12.865 ( 0.700 -2.325 -2.772) 3.685 13.843 ( 0.096 4.358 0.935) 4.458 13.860 ( 3.951 -0.223 -0.576) 3.999 15.352 ( -1.115 0.222 -1.497) 1.879 15.430 ( -1.698 1.928 -1.314) 2.886 15.708 ( 0.206 3.270 -1.361) 3.548 15.894 ( -0.142 -5.176 2.023) 5.559 15.925 ( 0.247 4.031 3.610) 5.417 16.068 ( -0.826 -1.418 -2.359) 2.873 16.287 ( -1.769 0.566 -8.125) 8.335 16.685 ( 2.227 0.526 2.988) 3.764 17.799 ( 5.409 4.441 0.168) 7.000 17.936 ( 3.356 0.128 1.365) 3.625 18.289 ( -0.385 -0.346 0.361) 0.631 18.345 ( -5.659 3.496 -0.850) 6.706 19.136 ( 4.490 0.166 -2.649) 5.216 19.590 ( -9.526 1.718 -5.501) 11.134 19.711 ( 4.038 7.429 12.670) 15.232 21.368 ( 1.344 0.982 -0.232) 1.680 27.798 ( -0.951 1.428 -3.970) 4.325 28.603 ( 2.927 -0.506 1.436) 3.299 29.620 ( 0.852 -2.207 -0.340) 2.390 29.809 ( 0.628 -0.737 6.276) 6.350 29.923 ( -0.783 1.026 -1.425) 1.922 30.093 ( 0.108 0.537 2.558) 2.616 30.288 ( -0.101 10.806 -2.501) 11.092 30.427 ( 0.305 10.590 -4.946) 11.692 30.783 ( 0.470 0.011 -0.538) 0.714 30.958 ( -0.302 2.520 0.184) 2.545 31.726 ( 3.747 5.989 -1.156) 7.158 32.223 ( -4.685 0.662 1.804) 5.064 32.617 ( -5.613 -21.728 0.574) 22.449 34.244 ( 5.955 -8.103 12.700) 16.199 34.605 ( -0.452 -28.971 4.369) 29.302 36.136 ( -7.554 -12.215 -12.991) 19.366 ======================= Grid point 269 (137/160) ======================= q-point: ( 0.67 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 6.677 4.586 -4.735) 9.382 2.392 ( 13.673 1.136 19.101) 23.517 2.608 ( -6.025 0.478 0.997) 6.126 3.268 ( -2.109 0.580 -2.024) 2.980 3.462 ( -0.807 -4.680 0.150) 4.752 3.601 ( -7.969 -4.371 -7.614) 11.857 3.633 ( -0.687 -8.036 -2.077) 8.328 4.061 ( -1.179 3.187 -4.073) 5.304 4.084 ( -2.074 -10.688 -1.778) 11.032 4.228 ( 0.434 -11.419 0.376) 11.433 4.363 ( -0.057 -1.968 -1.429) 2.433 4.406 ( -0.510 -2.948 0.842) 3.108 4.721 ( 3.685 -5.414 0.263) 6.555 4.829 ( -1.133 -1.017 -3.343) 3.673 5.155 ( 4.332 -13.136 0.989) 13.868 5.258 ( 3.191 -9.911 5.298) 11.683 5.292 ( -2.528 3.695 6.614) 7.986 5.542 ( 3.317 8.997 -7.476) 12.159 5.583 ( -0.498 -3.808 -1.352) 4.071 5.724 ( 4.242 6.787 3.343) 8.674 6.042 ( -0.581 3.680 2.445) 4.457 6.093 ( -12.766 6.083 -2.639) 14.386 6.433 ( 0.564 -3.752 3.362) 5.070 6.576 ( 1.339 -2.089 -1.926) 3.141 6.935 ( 2.882 2.433 -0.357) 3.789 7.073 ( -4.056 -1.314 1.723) 4.599 7.235 ( 1.489 -3.911 -3.609) 5.526 7.901 ( 2.190 2.011 4.229) 5.169 8.182 ( 0.341 0.910 -1.392) 1.697 8.324 ( 2.837 -0.858 -5.516) 6.261 8.560 ( 2.971 2.276 6.892) 7.842 8.756 ( -2.548 -1.353 -2.582) 3.872 9.171 ( -1.761 -0.839 -1.634) 2.545 9.601 ( 2.806 1.332 1.378) 3.398 9.904 ( -2.815 -6.557 0.718) 7.172 10.187 ( 0.702 -6.133 -0.401) 6.186 10.751 ( 1.451 -4.202 3.617) 5.731 10.957 ( -0.543 -5.348 -2.317) 5.854 11.091 ( 1.358 -0.550 1.355) 1.996 11.154 ( -1.581 6.832 -0.187) 7.015 11.309 ( 0.554 -6.190 2.480) 6.692 11.457 ( -0.472 4.826 -2.058) 5.267 12.509 ( -2.313 -3.855 -2.076) 4.952 12.917 ( 0.993 -3.913 0.444) 4.061 13.771 ( -0.353 4.643 0.981) 4.759 13.904 ( 2.789 -1.795 -0.302) 3.331 15.339 ( -0.295 -0.296 -0.005) 0.418 15.407 ( -1.129 -1.626 -1.473) 2.468 15.673 ( -0.185 0.274 0.188) 0.380 15.862 ( -1.691 5.054 3.974) 6.649 16.005 ( 1.360 -3.462 1.495) 4.009 16.088 ( 1.363 -3.890 -2.096) 4.625 16.200 ( -2.624 -0.201 -8.294) 8.701 16.704 ( 0.851 1.527 3.327) 3.758 17.778 ( 3.406 3.173 0.522) 4.684 17.936 ( 1.135 2.585 -0.108) 2.825 18.219 ( -3.668 3.533 -3.859) 6.389 18.297 ( -0.746 0.319 1.141) 1.400 19.153 ( 3.724 -0.756 -1.489) 4.081 19.421 ( -12.840 2.689 -3.675) 13.624 19.724 ( 6.215 5.535 7.300) 11.070 21.396 ( 1.534 -2.217 1.486) 3.078 27.742 ( -1.661 0.738 -2.982) 3.492 28.662 ( 2.845 -1.991 2.199) 4.110 29.689 ( 2.491 -4.582 -0.343) 5.226 29.828 ( -1.065 4.426 4.135) 6.150 29.872 ( -2.078 1.978 -1.393) 3.189 30.117 ( 0.969 2.574 0.279) 2.765 30.165 ( 0.528 -2.386 0.637) 2.526 30.254 ( -0.212 5.041 -3.531) 6.158 30.803 ( 0.779 -1.442 0.699) 1.782 30.909 ( -0.787 1.852 -0.954) 2.227 31.636 ( 1.002 4.767 -0.770) 4.931 32.204 ( -2.424 -0.486 2.224) 3.325 32.917 ( -2.096 -14.736 -0.344) 14.889 34.392 ( 3.427 4.093 7.025) 8.823 35.018 ( 3.954 -12.838 5.893) 14.669 36.151 ( -6.387 -6.957 -13.764) 16.693 ======================= Grid point 270 (138/160) ======================= q-point: (-0.22 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 4.099 6.303 -2.135) 7.816 2.404 ( -4.943 7.070 1.190) 8.708 2.707 ( 10.985 2.131 18.425) 21.557 3.260 ( 1.368 2.086 3.668) 4.436 3.371 ( -10.549 -0.604 -11.826) 15.859 3.566 ( -2.321 3.436 -2.574) 4.880 3.719 ( 0.191 -2.708 -2.694) 3.824 3.833 ( -0.925 12.754 -2.231) 12.981 4.146 ( 0.402 3.926 -1.068) 4.088 4.295 ( 0.535 9.386 1.061) 9.461 4.321 ( 0.638 9.283 -0.111) 9.305 4.451 ( -0.126 -6.941 -0.323) 6.950 4.620 ( -0.356 10.437 -3.767) 11.101 4.854 ( 0.838 4.466 3.205) 5.561 5.127 ( -4.384 12.524 2.523) 13.507 5.228 ( 6.634 11.467 -4.280) 13.922 5.383 ( 2.101 -8.307 0.478) 8.582 5.507 ( -0.355 5.478 4.103) 6.853 5.572 ( 1.615 11.885 -1.307) 12.066 5.729 ( -0.617 -12.207 -0.192) 12.224 5.921 ( -0.922 -2.223 -2.124) 3.210 6.108 ( -3.456 -6.223 1.635) 7.304 6.543 ( 1.531 -5.313 2.965) 6.274 6.572 ( -0.977 0.668 -1.610) 1.999 6.901 ( -1.586 0.359 -2.396) 2.895 7.126 ( 2.210 -2.698 1.499) 3.796 7.330 ( 0.701 -7.398 -0.417) 7.443 7.897 ( 0.190 3.988 3.060) 5.030 8.148 ( -0.763 2.047 4.257) 4.785 8.298 ( 0.455 -0.865 -10.090) 10.137 8.617 ( 6.058 1.476 6.912) 9.309 8.727 ( -3.962 -0.190 -4.097) 5.702 9.129 ( -2.749 2.675 0.846) 3.928 9.478 ( 1.012 11.783 0.249) 11.829 9.995 ( 0.922 -3.800 -0.369) 3.928 10.335 ( -0.193 -6.846 1.169) 6.947 10.701 ( 0.302 10.431 -0.490) 10.447 10.934 ( -0.205 11.759 -1.136) 11.816 11.014 ( 0.522 6.457 -1.550) 6.661 11.038 ( -0.291 2.420 0.247) 2.450 11.441 ( 1.722 -6.439 1.186) 6.770 11.468 ( -1.111 -6.328 -1.203) 6.536 12.587 ( -1.443 -6.650 0.071) 6.806 13.023 ( 0.163 -7.335 1.333) 7.457 13.699 ( 0.620 4.672 0.623) 4.754 13.954 ( 0.728 -2.392 -0.359) 2.526 15.376 ( 0.564 -3.548 1.759) 4.000 15.431 ( -1.275 -3.437 -1.648) 4.019 15.685 ( -0.885 -1.160 0.577) 1.569 15.791 ( -0.528 4.658 2.458) 5.293 16.033 ( 4.326 1.973 -1.359) 4.945 16.152 ( -5.996 -5.233 -2.881) 8.464 16.208 ( 3.124 -6.622 -1.334) 7.442 16.694 ( -0.894 2.181 2.706) 3.589 17.744 ( 0.112 2.914 0.424) 2.946 17.871 ( -0.172 4.615 -0.948) 4.715 18.127 ( -0.768 1.938 -1.845) 2.784 18.289 ( 1.651 1.361 -0.797) 2.283 19.204 ( 4.012 2.255 2.679) 5.325 19.271 ( -11.051 -3.073 -2.302) 11.699 19.719 ( 4.781 4.167 1.489) 6.515 21.476 ( 0.661 -4.340 1.651) 4.690 27.713 ( -0.740 -0.546 -1.338) 1.624 28.744 ( 1.387 -3.848 1.662) 4.415 29.718 ( -1.547 6.928 0.660) 7.129 29.807 ( 3.286 -6.380 0.276) 7.182 29.813 ( -2.352 1.782 -0.964) 3.104 30.092 ( 0.453 3.164 0.425) 3.224 30.197 ( 0.954 -3.801 -1.933) 4.370 30.306 ( -0.150 -8.410 1.439) 8.533 30.845 ( 0.139 -1.738 2.239) 2.838 30.889 ( -0.273 -1.938 -2.211) 2.953 31.595 ( 0.536 0.085 -0.562) 0.781 32.232 ( -2.365 -2.834 2.678) 4.561 33.040 ( -0.610 -1.301 -0.574) 1.548 34.242 ( 1.780 20.019 1.198) 20.134 35.174 ( 3.175 1.994 3.361) 5.035 36.048 ( -3.060 4.705 -9.273) 10.839 ======================= Grid point 271 (139/160) ======================= q-point: (-0.11 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 5.414 4.423 -3.769) 7.942 2.259 ( 2.752 9.847 5.108) 11.429 2.775 ( -3.696 3.017 -6.546) 8.100 3.129 ( 2.645 11.535 2.224) 12.042 3.332 ( -1.011 13.582 6.434) 15.063 3.401 ( 0.453 0.053 0.432) 0.628 3.650 ( -3.257 8.231 -2.615) 9.230 3.656 ( -0.443 10.168 2.215) 10.416 3.898 ( 2.809 27.369 -0.132) 27.513 3.973 ( -3.527 22.720 -0.256) 22.993 4.108 ( 0.552 16.455 0.004) 16.465 4.391 ( -5.464 13.922 -6.187) 16.185 4.486 ( 7.741 20.578 5.921) 22.769 4.643 ( 4.757 3.069 0.245) 5.666 4.957 ( -7.369 12.296 -1.218) 14.386 5.121 ( 6.135 6.469 -2.136) 9.168 5.164 ( -1.664 15.635 -0.004) 15.724 5.376 ( -2.612 13.431 -2.285) 13.872 5.595 ( 4.374 -11.960 -0.560) 12.747 5.924 ( -1.360 -10.710 -0.497) 10.807 6.130 ( -0.321 -18.824 1.670) 18.900 6.212 ( 0.681 -6.158 1.333) 6.337 6.535 ( -3.995 0.326 0.343) 4.023 6.691 ( 5.841 -7.005 1.298) 9.213 6.857 ( -5.680 0.351 -0.678) 5.731 7.195 ( 5.556 -1.758 -1.731) 6.079 7.465 ( -1.137 -7.938 0.136) 8.020 7.810 ( -3.095 4.915 0.632) 5.843 8.186 ( 1.413 1.706 4.450) 4.971 8.227 ( 0.060 -0.907 -4.724) 4.811 8.614 ( -5.359 3.105 -6.704) 9.127 8.702 ( 7.273 1.701 5.572) 9.319 9.076 ( -1.404 2.988 2.714) 4.274 9.287 ( 0.235 10.036 -1.878) 10.213 10.015 ( 0.094 2.454 -0.159) 2.461 10.324 ( -1.852 9.408 0.735) 9.617 10.476 ( -0.881 13.809 0.095) 13.837 10.646 ( 0.348 19.427 -2.186) 19.553 10.863 ( -0.135 9.098 -0.568) 9.116 11.048 ( 1.058 -1.700 0.142) 2.007 11.509 ( -0.569 -3.993 -0.172) 4.037 11.637 ( 0.174 -10.605 0.069) 10.606 12.674 ( -2.431 -4.671 0.637) 5.304 13.180 ( -0.604 -9.867 1.650) 10.022 13.636 ( 2.694 4.041 -0.656) 4.901 13.980 ( -1.695 -1.467 -0.789) 2.376 15.460 ( -1.353 -2.584 2.431) 3.798 15.502 ( -0.967 -8.696 -1.916) 8.957 15.698 ( -1.190 -0.103 3.224) 3.438 15.744 ( 2.087 1.640 -1.042) 2.852 16.013 ( 0.809 -0.058 -4.569) 4.640 16.199 ( -2.503 -3.815 1.832) 4.916 16.335 ( 2.734 -5.500 -0.754) 6.188 16.664 ( -1.065 2.270 2.579) 3.597 17.698 ( -0.256 2.086 -0.270) 2.119 17.801 ( 0.434 2.102 -0.095) 2.149 18.113 ( 1.541 0.076 0.504) 1.623 18.266 ( 2.848 2.098 -1.887) 4.009 19.117 ( -7.207 2.436 1.131) 7.691 19.389 ( 4.590 -7.190 4.401) 9.599 19.691 ( 2.278 1.175 -3.553) 4.381 21.561 ( -0.957 -4.903 -0.105) 4.997 27.732 ( 1.313 -1.880 0.113) 2.296 28.834 ( -1.752 -6.457 -0.870) 6.747 29.621 ( -0.620 3.835 0.791) 3.964 29.758 ( -4.326 0.780 -0.659) 4.445 29.957 ( 4.299 -6.843 0.670) 8.109 30.044 ( -0.271 1.794 -1.297) 2.230 30.272 ( 1.697 -3.887 -0.275) 4.251 30.467 ( 0.610 -8.892 0.468) 8.926 30.909 ( -1.902 -4.350 2.700) 5.461 30.943 ( 0.637 -6.302 -2.570) 6.836 31.620 ( 1.630 -1.458 -0.750) 2.312 32.293 ( -2.432 -4.160 2.781) 5.564 32.947 ( -4.068 9.993 0.705) 10.813 33.777 ( 2.877 34.435 -3.179) 34.701 35.046 ( -5.640 12.610 -2.585) 14.053 35.840 ( 5.855 16.249 2.113) 17.401 ======================= Grid point 275 (140/160) ======================= q-point: ( 0.33 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 8.345 -0.000 -8.554) 11.950 1.746 ( 25.289 -0.000 -5.798) 25.945 1.786 ( 1.780 -0.000 -8.282) 8.472 2.138 ( 5.554 -0.000 0.236) 5.559 2.288 ( 17.772 -0.000 -19.757) 26.574 2.505 ( -1.108 0.000 -3.243) 3.427 2.736 ( -12.668 0.000 -6.527) 14.251 2.975 ( -5.813 0.000 5.315) 7.876 3.196 ( 12.323 -0.000 16.694) 20.750 3.388 ( 3.206 -0.000 0.356) 3.226 3.791 ( -6.879 0.000 8.084) 10.614 3.845 ( -3.113 0.000 -0.750) 3.203 4.075 ( -11.055 0.000 -8.076) 13.691 4.083 ( -7.877 0.000 -2.119) 8.157 4.500 ( 4.652 -0.000 -0.804) 4.721 4.922 ( 2.404 -0.000 4.181) 4.823 5.543 ( 12.809 -0.000 12.836) 18.134 5.624 ( -4.051 0.000 1.358) 4.273 5.704 ( 7.734 -0.000 0.087) 7.735 6.016 ( 3.201 -0.000 -0.674) 3.271 6.171 ( -18.151 0.000 -1.514) 18.214 6.403 ( -9.673 0.000 -1.685) 9.819 6.890 ( -0.079 0.000 -1.816) 1.818 6.952 ( 7.075 -0.000 -4.578) 8.427 6.957 ( -5.642 0.000 0.893) 5.712 7.647 ( -1.640 0.000 10.228) 10.359 7.689 ( 7.248 -0.000 -3.109) 7.886 7.874 ( -1.016 0.000 0.700) 1.234 8.108 ( 2.509 -0.000 1.268) 2.812 8.115 ( 5.545 -0.000 2.908) 6.262 8.629 ( -4.526 0.000 -2.429) 5.137 8.630 ( 7.351 -0.000 -0.793) 7.394 8.830 ( 3.274 -0.000 -1.357) 3.544 9.205 ( -1.844 0.000 -3.784) 4.209 9.349 ( -7.865 0.000 2.470) 8.244 9.528 ( 1.600 -0.000 5.019) 5.268 9.734 ( -0.070 0.000 0.157) 0.172 10.159 ( 1.896 -0.000 1.418) 2.367 10.540 ( 0.442 -0.000 2.443) 2.482 11.331 ( -3.865 0.000 -3.890) 5.484 11.471 ( 0.729 -0.000 0.697) 1.009 11.930 ( 2.333 -0.000 -2.530) 3.441 12.675 ( -7.046 0.000 0.213) 7.050 12.855 ( -6.251 0.000 -13.740) 15.095 13.868 ( 1.413 -0.000 -0.360) 1.458 14.018 ( 0.195 -0.000 1.081) 1.099 15.397 ( -2.434 0.000 -2.020) 3.163 15.588 ( -2.506 0.000 -2.613) 3.621 15.789 ( -0.008 0.000 0.785) 0.785 15.853 ( 2.844 -0.000 -6.055) 6.690 16.008 ( -4.212 0.000 -1.939) 4.637 16.060 ( 1.424 -0.000 3.463) 3.744 16.324 ( -0.876 0.000 -1.140) 1.438 16.606 ( 2.666 -0.000 -1.489) 3.054 17.846 ( 6.734 -0.000 2.262) 7.104 18.048 ( 0.258 -0.000 -0.146) 0.296 18.256 ( 0.467 -0.000 4.984) 5.006 18.505 ( -0.530 0.000 -0.019) 0.531 19.100 ( 6.450 -0.000 1.452) 6.611 19.714 ( 0.282 -0.000 -2.619) 2.634 19.997 ( -7.616 0.000 15.931) 17.658 21.483 ( 0.274 -0.000 -3.432) 3.442 27.886 ( 2.357 -0.000 -4.322) 4.922 28.594 ( 1.286 -0.000 -1.280) 1.815 29.704 ( -2.110 0.000 3.226) 3.855 29.840 ( 3.172 -0.000 7.319) 7.977 29.999 ( 0.174 -0.000 3.040) 3.045 30.142 ( -0.795 0.000 0.360) 0.873 30.218 ( 0.213 -0.000 -0.927) 0.951 30.763 ( -1.518 0.000 -2.064) 2.563 30.868 ( 5.310 -0.000 -2.704) 5.959 31.018 ( 3.401 -0.000 -5.073) 6.108 31.555 ( 5.656 -0.000 -5.014) 7.558 32.533 ( -0.877 0.000 0.218) 0.904 32.648 ( 0.767 -0.000 -0.939) 1.212 32.874 ( -13.104 0.000 -5.175) 14.089 33.440 ( 4.313 -0.000 24.202) 24.583 35.890 ( -7.399 0.000 -11.590) 13.750 ======================= Grid point 276 (141/160) ======================= q-point: ( 0.44 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 9.835 -21.247 -9.596) 25.303 1.983 ( 26.179 -3.652 3.890) 26.717 2.174 ( 1.189 -42.729 -6.910) 43.301 2.403 ( 7.218 -23.973 -6.034) 25.753 2.600 ( -5.069 -24.276 -1.980) 24.878 2.632 ( -0.907 -14.937 -1.136) 15.007 2.842 ( 5.167 -33.422 -5.584) 34.277 3.083 ( -6.664 -17.579 3.843) 19.189 3.385 ( 7.142 -0.282 12.481) 14.383 3.512 ( -0.489 -14.319 -1.342) 14.390 3.765 ( -8.538 -1.852 -6.100) 10.655 3.826 ( -1.986 2.385 1.642) 3.511 4.026 ( -1.871 -11.514 -2.694) 11.972 4.119 ( -10.957 -11.516 1.413) 15.958 4.556 ( 5.986 -2.628 -0.711) 6.576 4.935 ( -0.094 3.127 2.202) 3.826 5.603 ( 0.558 4.296 4.758) 6.435 5.674 ( 3.849 2.685 8.707) 9.891 5.739 ( 10.218 2.745 0.088) 10.580 5.979 ( -14.878 3.704 -3.099) 15.642 6.069 ( 2.031 -3.434 -0.316) 4.002 6.320 ( -9.909 -2.450 -3.909) 10.931 6.827 ( -0.261 7.504 2.205) 7.826 6.891 ( -0.751 8.449 0.202) 8.485 6.914 ( 3.286 1.040 -3.173) 4.685 7.454 ( -6.213 16.998 1.376) 18.150 7.633 ( 5.062 10.722 -1.970) 12.019 7.890 ( 3.586 0.122 2.012) 4.114 8.192 ( 4.967 -2.693 2.503) 6.179 8.248 ( 2.292 -1.373 3.402) 4.325 8.527 ( -1.869 0.099 1.651) 2.496 8.817 ( 4.928 -7.455 -0.729) 8.967 8.846 ( 5.982 -2.439 -0.205) 6.464 9.121 ( -1.739 -0.079 -6.681) 6.904 9.422 ( -9.847 -11.581 0.443) 15.208 9.759 ( 4.156 -16.892 6.107) 18.437 9.956 ( -2.310 -23.399 5.393) 24.123 10.204 ( -0.225 -4.156 -0.403) 4.182 10.629 ( 2.140 -4.897 5.037) 7.344 11.227 ( -7.209 0.348 -7.501) 10.409 11.481 ( 3.087 3.174 2.438) 5.054 11.889 ( 1.629 4.765 -2.183) 5.489 12.559 ( -9.188 -0.286 -10.112) 13.666 12.795 ( 0.760 -1.407 -3.242) 3.615 13.878 ( 2.202 0.675 0.164) 2.309 13.988 ( -0.169 3.107 -0.295) 3.126 15.364 ( -1.318 0.323 -1.740) 2.207 15.528 ( -2.882 2.329 -2.243) 4.331 15.795 ( 1.737 0.071 0.191) 1.749 15.820 ( 0.782 1.565 -3.461) 3.878 15.975 ( -2.586 -1.465 -3.055) 4.262 16.081 ( 0.766 1.908 4.558) 5.001 16.310 ( 0.783 1.043 -2.372) 2.707 16.638 ( 1.795 -2.495 -0.548) 3.123 17.917 ( 4.800 -0.589 2.080) 5.265 18.012 ( 3.965 5.862 1.392) 7.212 18.286 ( -0.176 0.194 2.980) 2.991 18.458 ( -4.400 2.389 -1.224) 5.155 19.154 ( 5.926 0.498 -0.078) 5.947 19.637 ( -6.617 1.040 -6.399) 9.263 20.018 ( -1.278 8.047 19.021) 20.692 21.438 ( 0.439 2.190 -3.743) 4.359 27.863 ( 2.340 1.740 -3.825) 4.810 28.604 ( 2.026 0.335 0.461) 2.105 29.656 ( -1.413 4.147 0.106) 4.382 29.836 ( 2.592 4.835 9.407) 10.890 29.986 ( 0.969 2.722 1.276) 3.159 30.169 ( 0.642 2.176 0.058) 2.269 30.406 ( -1.162 -13.337 3.492) 13.836 30.721 ( -2.624 2.044 -4.006) 5.207 30.848 ( 2.468 3.559 -0.800) 4.404 31.002 ( 4.779 1.477 -3.328) 6.007 31.592 ( 5.427 -5.924 -3.167) 8.636 32.230 ( -7.622 14.287 -2.139) 16.333 32.557 ( -0.088 8.504 0.232) 8.508 33.274 ( -5.446 -42.109 -3.108) 42.573 33.819 ( 7.368 -13.160 27.302) 31.191 35.746 ( -11.582 -7.193 -20.094) 24.283 ======================= Grid point 277 (142/160) ======================= q-point: ( 0.56 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 6.550 -3.748 -9.326) 11.996 2.323 ( 23.860 -5.703 10.887) 26.839 2.557 ( -7.937 -2.339 1.685) 8.445 2.869 ( -0.045 -35.516 -3.965) 35.737 2.990 ( 0.808 -30.470 -2.248) 30.564 3.069 ( -1.486 -20.461 -0.116) 20.516 3.457 ( -8.071 -7.876 -0.715) 11.300 3.530 ( 0.462 -30.143 -4.210) 30.439 3.592 ( 1.523 -37.585 3.269) 37.758 3.654 ( -1.966 -6.628 -6.409) 9.427 3.873 ( 1.445 -18.575 1.292) 18.676 3.894 ( 0.738 -15.731 3.380) 16.107 4.254 ( -4.287 -14.677 2.159) 15.442 4.344 ( -2.057 -22.507 -2.616) 22.752 4.693 ( 5.673 -7.990 0.752) 9.827 4.855 ( -3.144 2.076 -1.839) 4.192 5.538 ( 2.818 9.657 4.654) 11.084 5.659 ( 1.348 5.549 -1.015) 5.800 5.744 ( -0.860 3.096 5.863) 6.686 5.838 ( -0.799 1.604 -2.219) 2.852 6.135 ( -0.845 -2.518 0.228) 2.666 6.283 ( -5.059 -3.133 -3.457) 6.882 6.654 ( 0.101 12.625 1.806) 12.754 6.698 ( -0.486 14.446 1.502) 14.532 6.933 ( 2.169 -1.264 0.321) 2.531 7.182 ( -5.714 8.172 1.434) 10.074 7.406 ( 4.425 14.699 -6.879) 16.821 7.931 ( 1.765 -0.176 1.793) 2.522 8.187 ( 1.341 3.129 -1.106) 3.580 8.336 ( 3.927 -1.822 3.755) 5.730 8.584 ( 0.387 -1.693 4.156) 4.504 8.777 ( -0.499 3.980 -2.712) 4.842 9.036 ( 0.347 -7.052 -1.571) 7.233 9.219 ( 4.835 -14.643 -2.338) 15.597 9.565 ( -7.296 -12.999 0.606) 14.919 10.101 ( 4.783 -8.807 3.088) 10.487 10.305 ( -2.596 -14.748 1.126) 15.017 10.481 ( -0.483 -29.354 7.438) 30.286 10.761 ( 1.521 -3.580 4.099) 5.651 11.138 ( -5.898 -2.948 -5.994) 8.911 11.436 ( 2.443 6.312 1.177) 6.870 11.768 ( 0.537 8.613 -1.737) 8.803 12.442 ( -5.194 -1.335 -8.409) 9.973 12.823 ( 1.326 -2.089 -0.707) 2.573 13.882 ( 1.581 1.148 0.523) 2.023 13.926 ( 0.513 3.417 -0.656) 3.517 15.343 ( -0.049 0.259 -0.800) 0.842 15.442 ( -2.876 2.914 -1.642) 4.411 15.753 ( 0.025 3.437 -2.138) 4.048 15.841 ( 0.840 -2.725 1.989) 3.477 15.968 ( -0.188 -2.059 -3.875) 4.392 16.069 ( -1.022 3.967 5.524) 6.877 16.260 ( 1.440 2.100 -6.214) 6.716 16.697 ( 1.055 -2.357 0.991) 2.766 17.934 ( 2.888 4.983 1.659) 5.993 17.980 ( 3.827 1.835 1.092) 4.383 18.296 ( 1.707 0.430 0.273) 1.782 18.351 ( -6.552 3.459 -0.622) 7.435 19.170 ( 3.127 1.514 -0.945) 3.600 19.508 ( -8.712 1.794 -4.057) 9.776 19.992 ( 4.138 10.079 13.152) 17.079 21.383 ( 0.379 1.202 -2.985) 3.240 27.808 ( 0.845 2.989 -3.294) 4.527 28.622 ( 1.750 -0.362 0.599) 1.885 29.606 ( 0.172 0.697 -0.158) 0.735 29.862 ( -0.319 1.093 7.512) 7.598 29.947 ( 1.363 2.797 -1.009) 3.271 30.134 ( 0.258 2.270 1.110) 2.540 30.450 ( 0.074 7.616 -0.787) 7.656 30.573 ( -0.704 9.967 -3.488) 10.583 30.802 ( 0.996 1.834 -0.014) 2.087 30.997 ( 1.032 1.845 -0.905) 2.299 31.825 ( 9.475 -5.303 -0.240) 10.861 32.036 ( -11.966 -8.432 -0.472) 14.646 32.433 ( -0.776 3.749 0.465) 3.857 33.943 ( -2.980 -38.521 -0.803) 38.644 34.319 ( 9.574 -14.842 23.960) 29.766 35.694 ( -11.126 -15.784 -20.510) 28.170 ======================= Grid point 278 (143/160) ======================= q-point: (-0.33 -0.67 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 0.320 -0.390 -4.866) 4.892 2.551 ( -2.661 -0.256 2.321) 3.540 2.678 ( 16.537 -3.289 13.803) 21.790 3.100 ( -10.302 -6.498 -8.756) 15.000 3.316 ( -1.317 -12.206 0.620) 12.292 3.335 ( -2.250 -15.287 -3.360) 15.813 3.557 ( -1.767 -6.591 0.962) 6.891 3.795 ( -1.346 -17.312 -1.340) 17.416 3.920 ( -0.233 -17.343 -1.701) 17.428 4.017 ( 3.109 -12.691 0.429) 13.073 4.236 ( -2.029 -19.453 2.351) 19.700 4.299 ( 0.795 -9.941 -1.962) 10.164 4.525 ( -0.928 -19.703 2.733) 19.913 4.619 ( 2.775 -14.764 -6.089) 16.209 4.940 ( 1.023 -14.421 0.884) 14.484 4.986 ( -0.007 -21.640 0.981) 21.662 5.384 ( -0.062 8.619 0.484) 8.633 5.601 ( -0.758 3.216 3.672) 4.940 5.696 ( 3.512 7.579 -1.425) 8.474 5.798 ( -1.559 0.404 -2.909) 3.325 6.099 ( -5.312 7.871 8.318) 12.624 6.241 ( 2.675 4.830 -5.407) 7.728 6.452 ( -1.365 9.339 2.471) 9.757 6.556 ( 2.599 0.747 -1.862) 3.283 6.992 ( 1.836 -2.239 3.469) 4.519 7.059 ( -8.382 5.947 2.948) 10.692 7.210 ( 7.127 3.458 -8.544) 11.651 7.945 ( -1.191 0.214 2.359) 2.651 8.157 ( 0.007 -0.012 -2.179) 2.179 8.366 ( 2.511 3.014 -0.560) 3.963 8.637 ( 2.353 -0.312 3.919) 4.582 8.704 ( -1.957 0.377 -2.707) 3.361 9.111 ( -1.533 -3.792 -0.522) 4.123 9.500 ( -0.094 -13.915 0.237) 13.917 9.743 ( -0.688 -11.090 0.915) 11.149 10.157 ( 0.930 1.042 -0.536) 1.496 10.629 ( 0.913 -18.119 3.209) 18.423 10.810 ( -1.223 -2.267 -0.905) 2.730 10.989 ( 4.021 -19.480 5.478) 20.631 11.143 ( -3.199 -4.185 -2.664) 5.903 11.334 ( 1.532 7.290 0.056) 7.449 11.593 ( -0.079 10.565 -1.167) 10.630 12.408 ( -2.483 -3.362 -2.907) 5.091 12.870 ( 1.032 -2.759 -0.336) 2.965 13.846 ( 0.156 3.727 0.127) 3.733 13.901 ( 0.655 0.058 -0.377) 0.758 15.346 ( 0.798 -0.330 0.594) 1.048 15.373 ( -2.007 1.357 -1.247) 2.725 15.688 ( -0.497 2.273 -0.577) 2.397 15.922 ( -0.849 -3.912 3.145) 5.091 15.990 ( 2.535 -0.070 0.510) 2.586 16.019 ( -1.936 1.184 0.216) 2.280 16.177 ( 1.221 3.183 -6.765) 7.576 16.735 ( 0.028 -0.477 1.279) 1.366 17.868 ( 0.440 5.159 0.555) 5.208 17.974 ( -0.427 1.293 0.466) 1.439 18.241 ( -2.672 3.674 -1.199) 4.699 18.313 ( 3.013 0.479 0.199) 3.057 19.154 ( -0.539 0.427 -0.399) 0.795 19.385 ( -6.152 3.606 0.024) 7.131 19.934 ( 4.647 8.714 4.372) 10.800 21.373 ( 0.276 -1.406 -0.879) 1.681 27.742 ( -0.154 2.368 -1.978) 3.089 28.654 ( 0.886 -1.627 0.337) 1.883 29.628 ( 0.201 -2.903 -0.280) 2.924 29.873 ( -4.854 1.376 4.483) 6.749 29.923 ( 4.451 1.555 -0.589) 4.752 30.129 ( 0.674 -0.706 1.005) 1.400 30.254 ( 0.147 11.737 -1.593) 11.846 30.366 ( -0.087 10.123 -2.900) 10.531 30.799 ( 0.517 -0.075 0.620) 0.810 30.944 ( -0.177 3.212 -0.920) 3.346 31.749 ( 0.109 8.081 -0.570) 8.102 32.193 ( -1.550 -2.332 1.726) 3.289 32.578 ( 0.175 -21.105 0.127) 21.106 34.391 ( -0.996 -13.632 4.086) 14.266 34.806 ( 6.552 -19.279 8.023) 21.885 35.800 ( -5.007 -17.431 -11.270) 21.352 ======================= Grid point 279 (144/160) ======================= q-point: (-0.22 -0.67 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -2.571 1.781 -2.896) 4.262 2.533 ( 2.958 5.214 3.496) 6.940 2.759 ( -11.492 -3.053 -8.915) 14.862 3.191 ( 7.026 -6.789 7.042) 12.044 3.383 ( 2.300 2.397 2.231) 4.002 3.555 ( -3.201 -7.986 -2.294) 8.904 3.584 ( -1.166 -3.594 3.138) 4.911 4.009 ( 1.827 5.346 -0.946) 5.729 4.072 ( 0.266 -12.270 0.888) 12.305 4.256 ( 2.791 -12.559 -1.358) 12.937 4.347 ( 0.461 -1.985 -0.591) 2.122 4.404 ( -1.578 -2.303 1.097) 3.000 4.720 ( 1.526 0.870 -1.572) 2.357 4.822 ( 0.762 -7.679 -0.638) 7.743 5.170 ( -4.025 -12.525 -0.999) 13.194 5.309 ( 1.554 -1.714 -0.290) 2.332 5.361 ( -0.670 -10.703 5.334) 11.977 5.471 ( -0.629 9.954 -5.948) 11.612 5.590 ( -2.447 1.526 -1.467) 3.235 5.745 ( -1.432 4.122 -0.326) 4.376 5.992 ( -2.247 7.086 6.383) 9.798 6.107 ( 7.957 6.605 -0.813) 10.373 6.466 ( 0.893 -6.028 0.009) 6.094 6.575 ( 2.298 -0.543 -1.477) 2.786 6.899 ( -7.157 4.798 1.983) 8.841 7.094 ( 3.166 -4.339 0.482) 5.393 7.236 ( 3.867 -3.998 -3.376) 6.506 7.937 ( -3.949 0.865 1.435) 4.290 8.151 ( -1.768 -1.636 0.437) 2.448 8.295 ( 1.281 4.350 -3.145) 5.519 8.669 ( -1.910 0.174 -4.355) 4.759 8.701 ( 4.049 -0.877 3.741) 5.582 9.136 ( -1.984 -0.603 1.863) 2.788 9.607 ( -3.906 0.592 0.677) 4.009 9.921 ( 4.483 -6.397 -0.843) 7.857 10.187 ( 0.018 -6.551 -0.396) 6.563 10.799 ( -0.145 1.689 -0.387) 1.739 10.922 ( -0.612 -11.694 0.497) 11.720 11.110 ( -2.054 4.894 -0.893) 5.382 11.144 ( 2.545 6.188 0.974) 6.761 11.355 ( 1.819 -8.073 -0.497) 8.290 11.430 ( 0.458 6.213 -0.445) 6.246 12.468 ( -1.698 -5.879 1.372) 6.271 12.931 ( 0.562 -4.410 -0.605) 4.487 13.783 ( 1.137 4.220 -0.241) 4.377 13.908 ( -1.759 -1.796 -0.700) 2.609 15.349 ( -0.353 -0.641 -0.797) 1.082 15.377 ( 0.178 -1.725 1.527) 2.310 15.668 ( -0.305 -0.286 0.346) 0.543 15.907 ( 0.052 6.208 2.237) 6.599 16.022 ( -3.494 -3.471 0.434) 4.945 16.088 ( 3.331 -3.519 0.239) 4.851 16.101 ( 2.074 -1.459 -3.922) 4.671 16.730 ( -1.266 1.252 0.703) 1.914 17.782 ( -3.861 3.209 0.013) 5.021 17.934 ( -0.954 3.208 0.149) 3.350 18.175 ( 1.856 3.112 0.388) 3.644 18.325 ( 4.327 1.361 -1.437) 4.758 19.142 ( -7.038 -1.794 -0.040) 7.263 19.317 ( 2.645 3.606 5.923) 7.421 19.836 ( 2.597 6.626 -3.321) 7.853 21.412 ( -0.573 -3.400 -0.299) 3.461 27.709 ( 0.522 0.681 0.129) 0.868 28.691 ( -0.882 -2.733 -0.751) 2.969 29.685 ( -2.654 -4.183 -0.177) 4.957 29.828 ( -2.467 3.150 2.776) 4.870 29.897 ( 4.901 5.374 -1.583) 7.443 30.129 ( 0.071 0.984 0.589) 1.149 30.176 ( 0.913 -0.378 -2.459) 2.650 30.217 ( -0.002 2.025 0.248) 2.041 30.818 ( -0.482 -1.914 -0.267) 1.991 30.892 ( 0.407 2.430 0.225) 2.474 31.632 ( -0.347 4.551 -0.419) 4.583 32.203 ( -1.783 -0.586 2.315) 2.980 32.912 ( 1.750 -13.970 0.135) 14.080 34.464 ( -1.635 5.076 0.511) 5.357 35.113 ( -0.787 -10.851 -2.866) 11.251 35.992 ( 4.794 -8.107 0.830) 9.455 ======================= Grid point 280 (145/160) ======================= q-point: (-0.11 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 0.611 2.866 -4.612) 5.464 2.468 ( -3.235 2.850 -4.765) 6.426 2.628 ( -2.152 2.314 -7.087) 7.759 3.250 ( -1.889 3.655 -4.901) 6.399 3.473 ( 1.881 -0.547 5.948) 6.262 3.530 ( 2.811 2.875 13.473) 14.060 3.709 ( 0.063 -1.754 1.484) 2.298 3.856 ( 3.498 14.185 2.727) 14.862 4.169 ( 2.860 3.891 0.093) 4.830 4.274 ( -1.461 10.990 -0.979) 11.130 4.320 ( 0.152 8.619 -0.581) 8.640 4.449 ( -1.436 -2.633 -0.009) 2.999 4.644 ( 4.491 5.094 2.093) 7.107 4.853 ( -2.078 1.222 -4.872) 5.436 5.081 ( -2.284 15.072 5.101) 16.075 5.261 ( 3.869 9.886 -5.416) 11.918 5.363 ( -3.182 -4.408 -5.665) 7.852 5.468 ( -6.737 10.627 -0.273) 12.585 5.531 ( 0.159 -2.861 0.605) 2.929 5.754 ( 1.832 -8.153 0.792) 8.393 5.939 ( 2.242 -1.592 2.119) 3.472 6.164 ( 2.750 -3.351 3.449) 5.540 6.547 ( 0.940 1.376 -1.041) 1.965 6.622 ( 5.195 -6.270 -1.328) 8.250 6.811 ( -7.663 1.081 2.243) 8.058 7.179 ( 4.275 -3.146 -2.592) 5.907 7.333 ( 0.786 -6.539 -0.755) 6.629 7.847 ( -6.483 4.065 -1.295) 7.761 8.180 ( 0.689 0.338 -3.587) 3.669 8.256 ( 0.116 -1.242 6.781) 6.895 8.576 ( -2.790 3.305 -7.737) 8.864 8.782 ( 4.375 -1.480 2.765) 5.383 9.138 ( -0.182 1.673 3.919) 4.265 9.466 ( -0.944 11.501 -1.565) 11.645 10.011 ( 2.380 -2.258 -1.193) 3.490 10.309 ( -3.790 -6.268 -0.333) 7.333 10.689 ( -0.974 11.267 -0.236) 11.311 10.935 ( 0.599 11.035 1.026) 11.099 10.986 ( -1.153 4.138 0.200) 4.301 11.075 ( 2.851 5.371 -0.035) 6.081 11.420 ( -1.897 -5.512 -1.886) 6.127 11.482 ( 1.227 -6.566 0.778) 6.725 12.572 ( -2.368 -5.949 2.473) 6.864 13.031 ( 0.350 -7.799 -1.150) 7.892 13.721 ( 2.599 4.158 -1.296) 5.072 13.918 ( -3.453 -2.373 -0.833) 4.272 15.376 ( -0.270 -3.524 -1.294) 3.764 15.427 ( -0.353 -2.623 2.334) 3.529 15.689 ( -0.258 -1.762 0.975) 2.030 15.821 ( 1.793 5.084 -0.343) 5.402 15.976 ( -3.217 1.144 -2.572) 4.274 16.149 ( -0.641 -2.944 2.126) 3.687 16.252 ( 5.506 -7.644 1.079) 9.482 16.691 ( -2.325 1.494 -0.150) 2.768 17.711 ( -2.982 1.417 -0.352) 3.320 17.863 ( -0.409 4.033 0.442) 4.077 18.168 ( 4.042 2.041 2.170) 5.022 18.318 ( 4.813 2.086 -2.019) 5.621 19.087 ( -8.240 0.678 1.736) 8.448 19.412 ( 7.125 -2.221 9.518) 12.095 19.712 ( 0.964 4.320 -8.293) 9.400 21.460 ( -2.274 -4.235 -1.940) 5.184 27.731 ( 2.222 -0.910 1.870) 3.043 28.714 ( -3.291 -3.471 -2.993) 5.642 29.679 ( -4.477 1.437 1.185) 4.849 29.755 ( -0.536 4.247 -0.088) 4.281 29.913 ( 5.608 -2.988 -0.106) 6.355 30.082 ( -1.086 4.326 -1.034) 4.579 30.188 ( 0.497 -5.782 -0.630) 5.838 30.322 ( 1.160 -8.269 -0.479) 8.364 30.848 ( -0.683 -2.998 -1.998) 3.667 30.881 ( 0.024 -0.235 2.228) 2.241 31.598 ( 0.909 -0.674 -0.607) 1.284 32.232 ( -2.389 -2.731 2.593) 4.460 33.035 ( -0.811 1.096 1.231) 1.837 34.222 ( -1.833 19.463 -3.502) 19.860 35.115 ( -6.365 3.748 -4.533) 8.666 36.118 ( 10.107 4.358 7.151) 13.126 ======================= Grid point 285 (146/160) ======================= q-point: ( 0.44 0.44 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 7.510 -0.000 -3.363) 8.229 1.674 ( -2.015 0.000 -5.828) 6.166 2.207 ( 23.682 -0.000 0.214) 23.683 2.217 ( 2.730 -0.000 -0.029) 2.730 2.287 ( -1.526 0.000 -3.027) 3.389 2.441 ( -0.079 0.000 -3.501) 3.502 2.609 ( 9.393 -0.000 3.727) 10.106 2.947 ( -4.081 0.000 3.946) 5.677 3.337 ( -3.483 0.000 -2.664) 4.386 3.454 ( -11.112 0.000 -4.541) 12.004 3.633 ( 0.350 -0.000 -2.612) 2.635 3.894 ( 9.250 -0.000 -5.476) 10.750 3.906 ( -5.890 0.000 6.416) 8.710 3.943 ( -9.259 0.000 4.767) 10.414 4.579 ( 6.543 -0.000 -0.479) 6.561 4.959 ( -2.857 0.000 -1.534) 3.243 5.698 ( 4.792 -0.000 6.887) 8.390 5.764 ( -6.912 0.000 9.832) 12.018 5.829 ( 5.135 -0.000 -1.940) 5.489 5.906 ( -3.712 0.000 0.485) 3.743 6.062 ( 4.906 -0.000 -3.325) 5.927 6.167 ( -10.135 0.000 -6.873) 12.246 6.853 ( 0.009 -0.000 -2.288) 2.288 6.922 ( -2.199 0.000 2.688) 3.473 7.002 ( 3.216 -0.000 -1.522) 3.558 7.619 ( -8.233 0.000 4.212) 9.248 7.736 ( 3.798 -0.000 -4.154) 5.628 7.968 ( 3.555 -0.000 4.233) 5.527 8.204 ( 1.593 -0.000 1.320) 2.069 8.277 ( 7.291 -0.000 7.757) 10.646 8.532 ( -3.217 0.000 -2.389) 4.008 8.738 ( 5.146 -0.000 0.245) 5.152 8.909 ( 6.320 -0.000 -1.458) 6.486 9.084 ( -5.104 0.000 -2.908) 5.874 9.243 ( -5.945 0.000 0.544) 5.969 9.621 ( 0.922 -0.000 3.299) 3.426 9.770 ( 1.584 -0.000 2.755) 3.178 10.156 ( -1.239 0.000 -1.659) 2.071 10.672 ( 5.767 -0.000 7.746) 9.658 11.104 ( -8.247 0.000 -8.937) 12.160 11.548 ( 2.502 -0.000 1.761) 3.059 11.927 ( 0.990 -0.000 -1.672) 1.943 12.411 ( -5.588 0.000 -10.730) 12.098 12.783 ( 1.262 -0.000 -0.466) 1.345 13.908 ( 2.279 -0.000 1.058) 2.512 13.997 ( -1.679 0.000 -1.355) 2.158 15.351 ( -0.262 0.000 -0.881) 0.919 15.507 ( -3.067 0.000 -2.017) 3.671 15.815 ( 1.138 -0.000 1.535) 1.911 15.818 ( 2.043 -0.000 -4.360) 4.815 15.916 ( -3.097 0.000 -2.054) 3.716 16.130 ( 1.174 -0.000 2.501) 2.763 16.338 ( 1.986 -0.000 0.026) 1.987 16.610 ( 0.679 -0.000 -1.417) 1.571 17.957 ( 2.383 -0.000 1.968) 3.090 18.117 ( 4.584 -0.000 2.537) 5.239 18.307 ( 0.562 -0.000 1.901) 1.983 18.425 ( -5.654 0.000 -2.269) 6.093 19.203 ( 4.141 -0.000 0.013) 4.141 19.540 ( -8.036 0.000 -4.669) 9.294 20.229 ( 0.829 -0.000 18.369) 18.388 21.422 ( -0.279 0.000 -5.851) 5.858 27.882 ( 3.068 -0.000 -2.660) 4.061 28.623 ( 1.088 -0.000 0.236) 1.113 29.687 ( -1.559 0.000 0.667) 1.696 30.021 ( 0.125 -0.000 4.685) 4.686 30.121 ( 4.260 -0.000 10.750) 11.563 30.139 ( -0.273 0.000 0.458) 0.534 30.206 ( 0.030 -0.000 -0.871) 0.872 30.698 ( -1.543 0.000 0.253) 1.564 30.892 ( 0.268 -0.000 0.247) 0.364 31.042 ( 7.076 -0.000 -6.501) 9.609 31.565 ( 3.603 -0.000 -4.088) 5.450 32.527 ( -0.328 0.000 0.219) 0.395 32.589 ( -7.191 0.000 -7.216) 10.187 32.644 ( 0.276 -0.000 -0.775) 0.822 33.984 ( 7.316 -0.000 34.650) 35.414 35.390 ( -13.960 0.000 -28.964) 32.153 ======================= Grid point 286 (147/160) ======================= q-point: (-0.44 -0.56 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 0.927 -16.876 -4.943) 17.610 2.082 ( -2.694 -44.521 -1.096) 44.616 2.315 ( -11.153 -17.118 1.390) 20.478 2.392 ( 12.902 -6.364 -1.300) 14.444 2.571 ( 0.399 -31.742 0.099) 31.745 2.825 ( -0.098 -38.254 -2.606) 38.343 2.847 ( 17.817 -6.664 10.311) 21.637 3.082 ( 1.429 -17.275 1.549) 17.403 3.217 ( -19.887 -0.890 -13.785) 24.213 3.447 ( -0.497 -16.514 -1.401) 16.581 3.664 ( 1.153 0.328 2.797) 3.043 3.900 ( -2.178 -0.564 4.246) 4.805 3.980 ( -7.239 -11.570 2.738) 13.920 4.072 ( 10.136 -10.400 -3.174) 14.865 4.651 ( 2.742 -3.525 0.264) 4.474 4.871 ( -1.797 4.484 -3.528) 5.983 5.718 ( -3.065 3.432 8.250) 9.446 5.752 ( -2.505 7.036 -0.093) 7.469 5.812 ( 3.728 1.588 2.603) 4.816 5.897 ( 3.515 3.990 1.905) 5.648 6.048 ( -0.906 -3.348 -7.499) 8.262 6.152 ( -0.125 -6.147 -1.986) 6.461 6.831 ( -2.179 2.896 1.553) 3.943 6.880 ( -2.197 8.134 2.147) 8.694 6.944 ( 4.553 2.807 -3.234) 6.251 7.390 ( -4.445 17.859 2.825) 18.620 7.643 ( 3.196 11.146 -3.876) 12.226 7.972 ( 0.155 2.819 2.104) 3.521 8.245 ( -0.838 1.819 0.435) 2.050 8.363 ( 3.032 0.503 3.483) 4.645 8.527 ( -0.348 -6.865 0.629) 6.903 8.892 ( 4.399 2.722 1.247) 5.321 8.918 ( -1.457 -0.218 -0.181) 1.485 8.981 ( -1.909 -10.117 -5.700) 11.768 9.317 ( -2.377 -10.752 1.129) 11.070 9.930 ( 5.560 -18.699 4.781) 20.086 9.973 ( -1.850 -25.603 1.134) 25.694 10.162 ( -1.378 -4.099 -1.510) 4.581 10.796 ( 5.346 -0.995 7.142) 8.976 10.991 ( -6.328 -2.395 -7.387) 10.018 11.542 ( 1.352 3.526 0.295) 3.788 11.878 ( -0.007 5.019 -1.114) 5.141 12.329 ( -2.716 -1.462 -5.594) 6.388 12.801 ( 1.063 -1.232 -0.466) 1.693 13.923 ( 1.579 1.207 1.370) 2.414 13.955 ( -1.717 1.671 -1.528) 2.842 15.344 ( -0.471 0.217 -0.134) 0.536 15.458 ( -1.310 2.072 -0.757) 2.566 15.788 ( 0.351 1.921 -2.084) 2.856 15.841 ( 1.599 -0.528 2.011) 2.623 15.894 ( -1.676 -1.626 -2.933) 3.749 16.149 ( 0.343 0.716 2.788) 2.899 16.299 ( 1.978 4.922 -3.003) 6.096 16.646 ( -0.005 -3.933 -0.211) 3.939 17.980 ( -0.002 -0.015 1.654) 1.654 18.103 ( 1.219 6.018 0.658) 6.175 18.323 ( -3.481 0.688 2.550) 4.370 18.352 ( 2.285 1.830 -2.800) 4.051 19.209 ( 0.314 1.489 -0.239) 1.540 19.457 ( -5.474 0.907 -0.176) 5.552 20.279 ( 4.382 8.821 9.585) 13.743 21.370 ( -0.219 0.594 -4.438) 4.483 27.856 ( 1.856 3.236 -2.474) 4.476 28.629 ( 0.428 -0.093 -0.077) 0.445 29.646 ( -0.218 3.425 0.184) 3.436 29.958 ( -2.352 6.402 5.485) 8.753 30.022 ( 3.128 4.266 -0.906) 5.366 30.180 ( 0.352 1.975 0.040) 2.007 30.445 ( 0.003 -9.799 1.638) 9.935 30.688 ( -0.655 3.579 3.118) 4.791 30.857 ( -0.748 4.121 0.188) 4.192 31.015 ( 4.136 0.813 -5.868) 7.225 31.623 ( 2.141 -10.104 -2.406) 10.605 32.112 ( -1.696 16.418 -1.179) 16.547 32.554 ( -0.455 8.318 0.210) 8.333 33.190 ( 0.135 -44.570 -1.896) 44.610 34.392 ( 7.533 -8.427 30.948) 32.948 35.168 ( -11.926 -13.247 -26.630) 32.044 ======================= Grid point 287 (148/160) ======================= q-point: (-0.33 -0.56 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -7.785 -4.162 -0.753) 8.860 2.458 ( -7.768 -10.485 -1.740) 13.164 2.641 ( -2.748 -5.933 -4.855) 8.144 2.821 ( -1.751 -33.958 0.723) 34.011 2.980 ( -0.828 -20.587 -0.431) 20.608 3.110 ( -2.073 -14.799 -4.161) 15.512 3.258 ( 12.006 -17.802 10.158) 23.754 3.472 ( -2.313 -36.188 0.798) 36.271 3.598 ( -4.376 -21.413 2.129) 21.959 3.688 ( -0.778 -14.269 -2.342) 14.481 3.871 ( 2.850 -32.161 -1.085) 32.306 3.942 ( -2.533 -5.378 0.417) 5.959 4.221 ( -2.401 -17.775 4.605) 18.518 4.385 ( 11.516 -17.970 -5.281) 21.987 4.715 ( -6.768 -7.354 -1.872) 10.168 4.820 ( 6.349 0.184 1.047) 6.437 5.566 ( -1.104 11.247 -0.420) 11.309 5.670 ( -4.557 4.432 1.998) 6.663 5.784 ( -0.763 2.562 0.723) 2.769 5.836 ( 2.747 6.124 -1.868) 6.967 6.136 ( 4.366 -6.754 0.572) 8.062 6.237 ( 1.332 -1.815 0.022) 2.251 6.659 ( -0.940 11.669 1.038) 11.752 6.715 ( 0.666 13.608 -0.040) 13.624 6.960 ( 2.248 -2.121 -2.656) 4.075 7.146 ( -4.646 8.481 5.772) 11.262 7.386 ( 4.527 15.794 -5.327) 17.273 7.940 ( -3.779 0.461 1.002) 3.937 8.174 ( -2.081 3.553 0.188) 4.122 8.395 ( 0.074 -0.612 -1.836) 1.937 8.629 ( 0.515 -3.195 -0.252) 3.246 8.745 ( 0.562 6.081 0.193) 6.110 9.010 ( -1.537 -6.428 0.834) 6.662 9.205 ( -5.170 -16.615 -0.889) 17.424 9.552 ( 4.050 -13.659 1.882) 14.370 10.154 ( -2.024 -2.911 -2.041) 4.091 10.291 ( 0.747 -20.122 2.017) 20.237 10.588 ( 7.748 -31.347 -1.513) 32.326 10.821 ( -1.203 0.660 -1.349) 1.924 11.045 ( 2.366 -6.041 2.584) 6.984 11.458 ( -0.039 6.517 -1.076) 6.606 11.752 ( -0.583 8.601 -0.303) 8.626 12.333 ( -1.109 -2.555 1.182) 3.026 12.832 ( 0.679 -2.081 -0.946) 2.385 13.899 ( -1.036 1.929 -1.168) 2.482 13.910 ( -0.434 2.206 0.767) 2.376 15.333 ( -1.746 -0.041 0.299) 1.772 15.418 ( 1.994 2.819 0.822) 3.549 15.732 ( -0.549 3.241 -0.032) 3.288 15.885 ( -0.102 -2.580 0.085) 2.583 15.909 ( 0.432 -2.892 -0.748) 3.019 16.144 ( -0.255 4.193 5.629) 7.024 16.192 ( 1.981 3.894 -7.106) 8.342 16.706 ( -0.876 -2.982 0.030) 3.109 17.963 ( -4.240 7.734 -0.841) 8.860 17.980 ( -1.959 0.112 0.715) 2.089 18.263 ( -3.202 1.902 1.417) 3.985 18.377 ( 8.093 1.668 -1.036) 8.327 19.159 ( -4.042 2.220 0.242) 4.618 19.423 ( -0.985 1.877 4.475) 4.952 20.153 ( 3.438 12.137 -1.948) 12.764 21.350 ( 0.022 -0.438 -0.637) 0.773 27.785 ( 0.296 3.720 -1.262) 3.940 28.634 ( -0.436 -0.714 -0.521) 0.985 29.606 ( 0.110 0.719 -0.193) 0.752 29.890 ( -4.969 2.402 3.276) 6.418 29.978 ( 3.995 2.502 -2.188) 5.197 30.148 ( 0.493 1.702 -0.286) 1.795 30.439 ( 0.194 8.331 -0.301) 8.339 30.544 ( -0.448 12.044 0.081) 12.053 30.810 ( -0.490 0.917 -0.413) 1.119 30.992 ( 0.605 2.313 -1.064) 2.617 31.838 ( -8.977 -1.975 -1.411) 9.299 32.020 ( 12.189 -12.789 1.006) 17.695 32.430 ( -0.564 3.612 0.695) 3.722 33.934 ( 2.392 -39.274 0.140) 39.347 34.650 ( -2.562 -7.272 -2.323) 8.053 35.383 ( 3.270 -24.315 3.852) 24.834 ======================= Grid point 288 (149/160) ======================= q-point: (-0.22 -0.56 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -9.457 -2.007 1.995) 9.871 2.396 ( -25.156 -6.672 -16.600) 30.869 2.643 ( 7.679 -0.781 2.673) 8.169 3.184 ( 2.961 -11.075 2.634) 11.763 3.347 ( 2.162 -11.459 0.945) 11.700 3.394 ( 6.123 -12.919 6.396) 15.662 3.555 ( -2.471 -2.591 3.007) 4.676 3.788 ( 1.724 -19.431 4.240) 19.963 3.922 ( 1.602 -16.252 0.808) 16.351 4.006 ( -0.548 -14.889 -3.816) 15.380 4.177 ( -7.682 -23.703 1.845) 24.985 4.332 ( 4.546 -10.163 -0.635) 11.151 4.578 ( 2.078 -19.668 -3.832) 20.146 4.651 ( 8.489 -8.969 1.727) 12.470 4.871 ( -6.207 -14.519 -0.296) 15.793 5.007 ( 0.723 -19.127 -2.301) 19.278 5.397 ( 0.187 6.111 -1.307) 6.252 5.542 ( -5.616 5.037 1.777) 7.750 5.705 ( 2.048 9.220 -2.338) 9.730 5.742 ( -5.537 1.268 0.337) 5.691 6.176 ( 0.600 9.602 3.634) 10.284 6.315 ( 11.738 -5.056 -0.880) 12.810 6.440 ( -0.914 14.433 0.259) 14.464 6.572 ( 2.885 0.717 -3.012) 4.232 6.944 ( -5.455 3.196 -0.207) 6.326 7.089 ( -1.009 1.139 6.891) 7.057 7.223 ( 7.208 2.840 -6.507) 10.117 7.908 ( -5.891 -0.043 1.080) 5.989 8.119 ( -3.588 0.132 1.331) 3.829 8.341 ( -1.639 2.851 -3.674) 4.931 8.638 ( 0.380 0.161 -3.721) 3.744 8.734 ( 3.059 -0.285 2.125) 3.735 9.100 ( -1.603 -4.030 2.918) 5.227 9.414 ( -8.336 -14.478 -0.048) 16.707 9.823 ( 6.653 -10.778 0.736) 12.687 10.159 ( 0.815 -0.007 -1.117) 1.383 10.615 ( -2.189 -17.092 -2.729) 17.446 10.821 ( 0.398 -2.911 1.617) 3.353 11.018 ( 3.823 -14.196 -6.514) 16.080 11.211 ( 7.363 -6.150 3.027) 10.060 11.314 ( -1.493 7.554 -2.529) 8.104 11.589 ( -0.033 9.860 0.733) 9.887 12.407 ( -0.043 -3.016 6.511) 7.176 12.867 ( 0.244 -2.808 -1.488) 3.187 13.855 ( 0.629 3.671 -0.374) 3.743 13.862 ( -3.684 -0.135 -0.798) 3.772 15.329 ( -0.870 -0.453 0.866) 1.309 15.406 ( 2.487 1.848 1.302) 3.361 15.685 ( -0.564 2.029 0.995) 2.330 15.944 ( 0.234 -5.021 -1.784) 5.334 15.954 ( -1.502 -1.296 0.116) 1.987 16.073 ( 3.918 4.597 -1.362) 6.192 16.148 ( 0.452 1.554 3.345) 3.716 16.722 ( -2.246 -0.529 -0.716) 2.416 17.802 ( -6.601 4.839 -0.253) 8.188 17.955 ( -2.800 0.823 -0.293) 2.933 18.240 ( 1.095 1.671 2.421) 3.139 18.392 ( 7.445 2.414 -2.671) 8.270 19.092 ( -6.289 1.113 1.778) 6.629 19.444 ( 2.990 2.108 8.690) 9.429 19.936 ( 0.192 9.474 -9.202) 13.209 21.363 ( -0.760 -1.255 0.012) 1.467 27.741 ( 0.542 1.649 1.377) 2.216 28.635 ( -1.907 -1.354 -1.602) 2.835 29.617 ( -0.775 -1.998 -0.131) 2.147 29.847 ( -3.944 0.677 1.985) 4.467 29.964 ( 3.884 0.923 -3.515) 5.319 30.135 ( 0.518 -0.510 -1.805) 1.946 30.256 ( 0.789 11.292 0.459) 11.329 30.352 ( -0.453 10.333 1.955) 10.526 30.789 ( -1.108 -0.060 -0.939) 1.453 30.949 ( 0.894 2.841 0.629) 3.044 31.715 ( -3.228 5.878 -0.004) 6.706 32.221 ( 0.906 1.062 1.991) 2.432 32.628 ( 6.215 -21.363 -0.415) 22.252 34.398 ( -2.025 -10.665 -1.454) 10.952 34.761 ( -4.549 -20.804 -11.687) 24.292 35.888 ( 12.652 -16.977 11.207) 23.956 ======================= Grid point 289 (150/160) ======================= q-point: (-0.11 -0.56 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -5.101 -0.269 -0.107) 5.110 2.194 ( -18.855 -5.327 -15.207) 24.802 2.754 ( 10.183 -0.117 3.643) 10.816 3.268 ( -2.279 1.966 -0.401) 3.036 3.425 ( -4.687 -2.127 -0.900) 5.225 3.619 ( 0.180 -7.692 2.636) 8.134 3.699 ( 8.609 -4.512 11.306) 14.910 4.082 ( 3.830 0.873 2.982) 4.932 4.129 ( 4.221 -11.199 1.539) 12.067 4.258 ( 1.686 -15.463 -2.106) 15.697 4.367 ( -1.377 1.463 1.255) 2.369 4.389 ( 0.237 -0.692 1.027) 1.261 4.692 ( -1.638 -6.223 -5.241) 8.299 4.826 ( -0.005 3.579 0.632) 3.635 5.107 ( -2.248 -17.742 -1.212) 17.925 5.199 ( -4.963 -4.421 -2.885) 7.245 5.353 ( -0.318 -0.333 -7.453) 7.467 5.458 ( -3.272 5.630 6.626) 9.290 5.578 ( 0.394 5.497 3.599) 6.582 5.695 ( -0.050 -3.210 -2.266) 3.929 6.052 ( 1.656 7.747 2.046) 8.182 6.230 ( 1.541 7.456 0.481) 7.629 6.505 ( 6.978 -6.861 -3.726) 10.472 6.582 ( 2.741 -0.405 -2.881) 3.997 6.836 ( -5.050 4.476 3.773) 7.731 7.135 ( 1.376 -2.550 -0.140) 2.901 7.259 ( 4.212 -3.455 -1.140) 5.566 7.834 ( -7.039 2.601 -1.397) 7.633 8.148 ( -2.707 -3.382 3.057) 5.302 8.271 ( -1.510 0.584 0.629) 1.736 8.575 ( 0.543 3.549 -6.646) 7.554 8.792 ( 2.951 -1.689 1.143) 3.587 9.166 ( -0.178 -1.716 4.016) 4.371 9.523 ( -5.811 -4.037 -0.291) 7.082 9.996 ( 5.821 -3.279 -1.258) 6.798 10.175 ( -0.557 -3.045 -0.387) 3.119 10.749 ( -0.633 -5.068 -3.540) 6.214 10.944 ( -0.744 -2.120 2.382) 3.275 11.075 ( -1.184 -0.518 -0.209) 1.310 11.179 ( 1.200 4.987 -1.149) 5.257 11.349 ( 3.456 -2.619 -4.701) 6.395 11.460 ( 0.939 4.802 1.640) 5.160 12.504 ( -0.689 -2.845 6.191) 6.848 12.917 ( 0.277 -4.459 -1.875) 4.846 13.789 ( -0.168 2.817 -1.512) 3.202 13.849 ( -2.441 -1.259 -0.239) 2.757 15.347 ( 0.840 -0.750 1.047) 1.538 15.413 ( 0.714 -0.182 1.005) 1.246 15.667 ( -1.035 -0.039 0.264) 1.069 15.901 ( 0.411 3.543 -2.612) 4.421 15.980 ( -1.429 0.695 -0.065) 1.591 16.087 ( 1.781 -2.988 -1.838) 3.934 16.229 ( 4.865 -3.908 8.177) 10.286 16.679 ( -3.981 1.214 -2.168) 4.693 17.702 ( -4.582 1.520 0.221) 4.833 17.908 ( -1.593 1.909 -0.512) 2.538 18.249 ( 2.192 1.519 3.203) 4.167 18.384 ( 6.452 2.292 -3.310) 7.605 19.054 ( -5.544 0.029 3.761) 6.699 19.523 ( 3.371 0.438 10.090) 10.647 19.728 ( -0.017 5.687 -10.992) 12.376 21.372 ( -2.255 -1.902 -1.717) 3.413 27.758 ( 1.920 -0.232 3.186) 3.727 28.623 ( -3.161 -1.604 -3.006) 4.647 29.642 ( -1.969 -1.675 0.563) 2.645 29.819 ( -1.339 1.650 -0.138) 2.129 29.950 ( 4.271 1.808 -2.007) 5.053 30.112 ( -0.496 1.357 -3.040) 3.366 30.156 ( -0.303 2.167 0.936) 2.380 30.252 ( 0.895 1.438 2.177) 2.758 30.791 ( -1.087 -1.801 -0.468) 2.155 30.919 ( 0.959 2.262 0.867) 2.605 31.617 ( -0.905 3.084 -0.127) 3.217 32.211 ( -1.551 0.332 2.507) 2.966 32.972 ( 4.447 -11.156 0.590) 12.024 34.348 ( -5.518 4.071 -7.431) 10.112 34.987 ( -3.225 -10.974 -3.336) 11.914 36.252 ( 12.468 -5.332 7.336) 15.418 ======================= Grid point 295 (151/160) ======================= q-point: (-0.44 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -4.879 0.000 -2.852) 5.652 1.599 ( -2.935 0.000 2.291) 3.723 2.086 ( -20.398 0.000 6.266) 21.339 2.215 ( -2.839 0.000 -0.112) 2.841 2.404 ( 7.060 -0.000 -8.722) 11.222 2.419 ( 2.174 -0.000 -1.242) 2.504 2.787 ( -19.006 0.000 -12.665) 22.840 2.983 ( 3.626 -0.000 0.791) 3.711 3.208 ( 17.146 -0.000 13.640) 21.910 3.304 ( 2.862 -0.000 0.212) 2.870 3.673 ( -4.441 0.000 -0.551) 4.475 3.798 ( -10.603 0.000 4.166) 11.392 3.963 ( 5.344 -0.000 1.052) 5.446 4.039 ( 11.558 -0.000 -4.954) 12.575 4.595 ( -6.276 0.000 -2.019) 6.593 4.924 ( 6.442 -0.000 0.451) 6.458 5.734 ( -8.150 0.000 6.988) 10.736 5.822 ( -3.355 0.000 -4.324) 5.473 5.876 ( 3.200 -0.000 2.153) 3.857 5.952 ( 5.262 -0.000 -5.844) 7.864 6.036 ( 7.035 -0.000 5.093) 8.685 6.060 ( 2.865 -0.000 -4.098) 5.000 6.822 ( -2.393 0.000 0.601) 2.467 6.939 ( 0.305 -0.000 1.225) 1.263 7.007 ( 0.494 -0.000 -1.816) 1.882 7.579 ( -6.264 0.000 6.388) 8.947 7.748 ( 6.522 -0.000 -4.098) 7.703 8.009 ( -2.889 0.000 0.329) 2.907 8.210 ( -2.276 0.000 0.532) 2.338 8.422 ( -4.055 0.000 -5.937) 7.190 8.482 ( 5.038 -0.000 3.655) 6.225 8.753 ( -3.165 0.000 -1.157) 3.370 8.873 ( -4.536 0.000 -0.674) 4.586 9.084 ( 5.772 -0.000 -0.863) 5.836 9.229 ( 2.602 -0.000 1.969) 3.263 9.650 ( 0.304 -0.000 -0.118) 0.326 9.813 ( -0.236 0.000 -0.546) 0.595 10.125 ( -0.277 0.000 0.839) 0.884 10.827 ( -5.932 0.000 -7.030) 9.198 10.933 ( 6.776 -0.000 7.627) 10.202 11.576 ( 0.191 -0.000 -1.103) 1.120 11.912 ( -1.082 0.000 -0.243) 1.109 12.283 ( -0.631 0.000 0.724) 0.960 12.793 ( 0.809 -0.000 -0.922) 1.227 13.936 ( -2.447 0.000 -1.734) 2.999 13.962 ( 1.009 -0.000 2.010) 2.249 15.337 ( -1.696 0.000 0.496) 1.767 15.479 ( 1.642 -0.000 0.888) 1.867 15.788 ( -0.474 0.000 -1.518) 1.591 15.843 ( -1.279 0.000 -1.273) 1.804 15.878 ( 2.192 -0.000 1.731) 2.793 16.159 ( 0.169 -0.000 -0.329) 0.370 16.357 ( 1.819 -0.000 -2.035) 2.730 16.595 ( -1.067 0.000 0.003) 1.067 17.976 ( -2.613 0.000 0.350) 2.637 18.153 ( -2.952 0.000 -0.928) 3.094 18.298 ( -4.357 0.000 1.131) 4.502 18.412 ( 8.270 -0.000 0.111) 8.271 19.209 ( -3.152 0.000 -0.492) 3.190 19.451 ( -1.563 0.000 4.339) 4.612 20.448 ( 7.417 -0.000 -0.887) 7.470 21.350 ( 0.208 -0.000 -1.051) 1.071 27.882 ( 1.270 -0.000 -2.890) 3.157 28.628 ( -0.204 0.000 -0.221) 0.301 29.685 ( 0.185 -0.000 0.713) 0.736 30.055 ( 0.523 -0.000 0.135) 0.541 30.144 ( 0.217 -0.000 0.110) 0.243 30.198 ( 0.003 -0.000 -0.159) 0.159 30.246 ( 0.205 -0.000 0.086) 0.222 30.725 ( -0.306 0.000 1.906) 1.931 30.896 ( -4.161 0.000 5.222) 6.676 31.003 ( 4.180 -0.000 -12.061) 12.765 31.542 ( -0.916 0.000 -1.985) 2.186 32.502 ( 3.362 -0.000 1.115) 3.542 32.528 ( 0.232 -0.000 0.081) 0.245 32.637 ( -0.133 0.000 -0.180) 0.224 34.549 ( -3.900 0.000 -0.186) 3.904 34.817 ( 0.525 -0.000 6.649) 6.670 ======================= Grid point 296 (152/160) ======================= q-point: (-0.33 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -11.922 -14.879 2.375) 19.214 2.051 ( -9.010 -33.184 2.566) 34.481 2.091 ( -16.262 -24.176 0.293) 29.138 2.397 ( -15.017 -23.811 -9.096) 29.584 2.582 ( 0.859 -31.616 0.528) 31.632 2.633 ( -3.652 -9.843 -1.201) 10.567 2.782 ( -1.091 -28.801 -0.263) 28.823 3.145 ( 6.137 -16.983 -1.957) 18.163 3.462 ( 13.912 -2.895 10.803) 17.850 3.483 ( 6.477 -13.644 2.819) 15.364 3.599 ( -6.692 0.465 -2.085) 7.025 3.832 ( -7.622 -6.764 3.985) 10.942 4.026 ( 6.011 -5.290 -1.546) 8.156 4.199 ( 12.042 -11.014 -5.303) 17.159 4.552 ( -7.222 -3.356 -0.884) 8.012 4.949 ( 6.454 4.168 0.546) 7.702 5.679 ( -6.960 4.355 3.141) 8.791 5.701 ( -3.734 4.540 -4.958) 7.690 5.835 ( -5.078 3.409 -2.473) 6.597 5.949 ( 9.927 5.118 -2.865) 11.530 6.081 ( 6.227 -4.145 -0.248) 7.485 6.224 ( 8.941 -4.574 4.776) 11.121 6.805 ( -5.781 2.134 3.660) 7.168 6.868 ( -0.579 8.735 -0.822) 8.792 6.963 ( 4.279 2.074 -3.863) 6.127 7.398 ( -2.964 16.815 6.192) 18.162 7.657 ( 4.735 13.755 -3.742) 15.021 7.925 ( -6.245 2.843 -0.928) 6.924 8.209 ( -4.280 1.245 0.644) 4.503 8.337 ( -3.527 -0.993 -5.227) 6.383 8.551 ( 2.181 -5.164 -0.499) 5.628 8.827 ( -3.832 -1.190 -1.605) 4.322 8.867 ( -7.064 -9.088 -2.086) 11.698 8.998 ( 2.714 3.574 5.071) 6.771 9.397 ( 6.892 -11.223 2.800) 13.465 9.877 ( -3.607 -15.158 -5.490) 16.520 10.066 ( 8.071 -32.490 -4.709) 33.807 10.172 ( 1.257 -4.004 2.727) 5.005 10.743 ( -4.733 -2.832 -6.571) 8.579 11.071 ( 7.661 -1.145 8.529) 11.521 11.529 ( -0.974 3.600 -2.421) 4.446 11.859 ( -1.862 4.823 0.676) 5.214 12.334 ( 1.707 -1.448 8.801) 9.081 12.800 ( 0.625 -1.148 -1.477) 1.973 13.892 ( -3.054 0.979 -1.343) 3.477 13.965 ( 0.507 2.301 1.779) 2.953 15.330 ( -0.988 0.257 1.661) 1.950 15.490 ( 2.678 1.939 1.632) 3.688 15.765 ( -1.741 1.211 0.357) 2.151 15.828 ( -0.990 -0.861 -1.846) 2.265 15.919 ( 2.928 -0.377 2.737) 4.025 16.155 ( -0.392 -0.531 -2.091) 2.192 16.291 ( 1.594 5.945 -1.469) 6.328 16.631 ( -1.740 -4.056 0.074) 4.414 17.948 ( -4.556 -0.464 -0.728) 4.637 18.043 ( -5.531 6.786 -1.732) 8.924 18.284 ( -0.773 0.854 2.080) 2.377 18.465 ( 7.575 1.449 -0.855) 7.760 19.156 ( -5.214 1.592 -0.182) 5.454 19.490 ( 1.058 0.627 8.053) 8.147 20.351 ( 5.751 11.748 -12.388) 18.015 21.361 ( 0.597 0.550 2.977) 3.086 27.835 ( -0.613 3.008 -1.803) 3.560 28.619 ( -0.941 0.174 -0.713) 1.193 29.654 ( 0.973 3.981 0.229) 4.104 29.940 ( -4.501 7.501 0.101) 8.748 30.037 ( 2.486 3.474 -3.945) 5.815 30.176 ( -0.205 1.634 -0.665) 1.776 30.460 ( 0.988 -8.815 -0.746) 8.902 30.706 ( 0.127 4.552 -1.155) 4.698 30.836 ( -3.037 5.039 1.391) 6.046 30.967 ( -0.642 -3.442 -3.536) 4.976 31.575 ( -3.227 -8.724 -1.520) 9.425 32.180 ( 7.367 12.991 2.801) 15.194 32.551 ( -0.777 8.203 0.654) 8.265 33.229 ( 5.622 -44.995 0.900) 45.354 34.361 ( -11.839 -6.901 -26.559) 29.886 35.236 ( 12.532 -14.583 31.329) 36.759 ======================= Grid point 297 (153/160) ======================= q-point: (-0.22 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -15.474 -5.326 8.077) 18.250 1.939 ( -28.857 -8.350 -10.549) 31.839 2.696 ( 8.133 -3.950 3.293) 9.622 2.817 ( -1.698 -34.439 2.554) 34.575 2.979 ( -1.080 -42.170 1.285) 42.204 3.111 ( 2.730 -17.366 0.360) 17.583 3.354 ( -12.886 -34.063 3.153) 36.556 3.496 ( -5.815 -16.245 -4.469) 17.824 3.615 ( 1.528 -22.646 -0.249) 22.698 3.739 ( 10.233 -5.934 11.003) 16.155 3.862 ( 1.752 -12.032 -2.299) 12.375 3.932 ( 3.435 -22.512 -2.122) 22.871 4.281 ( 3.097 -16.966 1.025) 17.277 4.506 ( 10.908 -17.098 -4.022) 20.676 4.604 ( -4.599 -10.554 0.181) 11.514 4.902 ( 2.098 4.077 -1.986) 4.997 5.501 ( -3.862 9.733 -3.615) 11.078 5.582 ( -6.850 3.159 2.568) 7.968 5.700 ( -6.883 2.107 -6.495) 9.696 5.901 ( 6.447 8.745 3.101) 11.298 6.219 ( 7.504 -5.452 -3.357) 9.864 6.369 ( 6.465 1.625 6.265) 9.148 6.641 ( -1.867 8.640 -1.337) 8.940 6.721 ( 1.338 12.138 -0.875) 12.243 6.928 ( 1.621 1.437 -5.003) 5.452 7.212 ( -1.769 8.168 9.703) 12.806 7.379 ( 2.784 14.043 -4.488) 15.004 7.861 ( -6.605 -0.557 1.469) 6.790 8.130 ( -4.746 4.005 1.655) 6.427 8.294 ( -3.756 -1.615 -5.411) 6.782 8.613 ( 1.633 -1.563 -3.577) 4.231 8.775 ( 0.295 1.069 1.323) 1.726 9.006 ( -2.344 -10.720 -0.221) 10.976 9.103 ( -6.485 -9.854 4.744) 12.715 9.690 ( 7.618 -12.577 2.344) 14.890 10.048 ( -3.550 -11.935 -3.829) 13.027 10.327 ( 0.081 -11.887 0.155) 11.888 10.599 ( 5.625 -23.346 -12.725) 27.177 10.801 ( 6.800 -10.130 -4.595) 13.038 11.211 ( 6.159 -2.458 5.649) 8.711 11.412 ( -1.412 6.388 -2.754) 7.098 11.742 ( -1.833 7.784 1.564) 8.148 12.476 ( 5.405 -0.662 14.980) 15.939 12.819 ( 0.432 -1.908 -1.525) 2.480 13.837 ( -4.184 1.602 -0.174) 4.483 13.916 ( -0.363 3.689 -0.162) 3.711 15.340 ( 0.624 0.309 2.582) 2.674 15.480 ( 2.475 2.970 1.304) 4.080 15.725 ( -2.365 2.206 1.613) 3.614 15.844 ( 0.277 -3.265 -1.861) 3.769 15.964 ( 1.183 0.335 2.583) 2.861 16.120 ( 1.325 1.430 -5.592) 5.922 16.235 ( 2.104 2.954 5.398) 6.503 16.668 ( -2.967 -2.390 -0.903) 3.915 17.847 ( -7.685 7.151 -0.314) 10.502 17.919 ( -3.179 -0.257 -1.387) 3.478 18.284 ( 0.569 0.730 1.764) 1.992 18.469 ( 5.400 2.506 -2.947) 6.643 19.085 ( -5.216 1.706 1.415) 5.668 19.556 ( 1.777 0.934 9.552) 9.760 20.034 ( -1.361 13.191 -14.837) 19.899 21.366 ( -0.354 1.267 2.033) 2.421 27.784 ( -0.744 1.757 2.042) 2.794 28.596 ( -2.033 0.035 -1.571) 2.569 29.608 ( 0.658 1.428 -0.100) 1.576 29.831 ( -4.099 1.187 -1.057) 4.397 29.979 ( 2.354 1.747 -4.387) 5.276 30.140 ( 0.167 1.651 -1.304) 2.111 30.445 ( -0.266 8.364 0.575) 8.388 30.556 ( -1.116 11.021 3.272) 11.550 30.787 ( -0.652 1.166 0.254) 1.360 30.987 ( -0.068 0.020 -0.574) 0.578 31.698 ( -6.046 -5.874 -0.738) 8.461 32.247 ( 12.758 -5.647 1.043) 13.991 32.439 ( 1.201 0.008 0.478) 1.293 34.023 ( 7.017 -37.160 1.502) 37.846 34.251 ( -11.588 -13.506 -22.767) 28.897 35.819 ( 15.940 -16.700 18.177) 29.383 ======================= Grid point 298 (154/160) ======================= q-point: (-0.11 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -12.495 -3.666 4.390) 13.742 1.848 ( -18.308 -9.040 -1.823) 20.499 2.822 ( 8.241 -1.513 1.019) 8.440 3.218 ( -0.243 -8.855 4.505) 9.939 3.281 ( -8.388 -7.386 -6.251) 12.806 3.490 ( 1.615 -14.782 3.103) 15.190 3.603 ( 2.667 -21.393 2.664) 21.722 3.918 ( -0.466 -14.270 -4.861) 15.083 3.982 ( 5.419 -14.389 1.762) 15.476 4.033 ( 1.345 -17.336 11.141) 20.651 4.074 ( -3.387 -22.478 -0.404) 22.736 4.383 ( 2.304 -16.973 -0.829) 17.149 4.500 ( 1.201 -9.212 -9.027) 12.953 4.784 ( -0.252 -9.985 2.385) 10.269 4.824 ( 0.406 -6.802 1.128) 6.907 4.958 ( 1.873 -17.566 -1.906) 17.769 5.298 ( -3.616 3.769 -5.804) 7.808 5.538 ( -8.669 -1.236 4.103) 9.671 5.580 ( -3.128 1.193 -4.769) 5.827 5.798 ( 4.834 11.377 4.965) 13.322 6.235 ( 5.454 8.855 -0.512) 10.413 6.353 ( -3.576 5.020 -0.767) 6.211 6.468 ( 0.093 5.107 -3.013) 5.930 6.632 ( 11.926 2.348 -3.102) 12.545 6.863 ( -3.724 1.645 -2.240) 4.647 7.162 ( -2.446 4.162 6.842) 8.374 7.283 ( 7.619 0.978 0.294) 7.687 7.810 ( -6.851 1.932 -0.386) 7.129 8.085 ( -5.409 -2.357 4.187) 7.235 8.254 ( -1.567 -0.450 -2.080) 2.643 8.593 ( 1.887 2.003 -4.958) 5.671 8.801 ( 1.976 -0.906 1.214) 2.490 9.143 ( 0.971 -4.383 3.330) 5.590 9.270 ( -9.036 -14.955 0.033) 17.473 9.935 ( 5.244 -7.830 0.701) 9.450 10.162 ( 1.380 -4.189 -0.316) 4.422 10.528 ( -1.421 -13.489 -4.083) 14.165 10.824 ( -0.848 -12.468 -0.495) 12.507 11.006 ( 7.815 -8.426 -9.706) 15.043 11.217 ( -3.188 6.222 -3.486) 7.812 11.358 ( 6.799 -0.117 -0.161) 6.801 11.603 ( -0.729 8.366 1.727) 8.573 12.596 ( 4.694 4.197 11.067) 12.733 12.861 ( 1.347 -2.399 1.445) 3.108 13.761 ( -6.826 0.982 0.001) 6.896 13.870 ( 1.972 1.798 -0.954) 2.834 15.364 ( 1.380 0.165 2.374) 2.751 15.454 ( 1.933 2.796 0.569) 3.447 15.680 ( -2.509 2.040 1.660) 3.635 15.902 ( 0.281 -3.431 -2.601) 4.315 15.934 ( -0.540 1.653 -2.171) 2.782 16.104 ( 3.448 0.575 -0.868) 3.601 16.301 ( 4.850 -0.670 9.865) 11.013 16.640 ( -4.931 0.619 -2.413) 5.525 17.703 ( -5.264 3.183 0.859) 6.211 17.895 ( -1.811 -0.511 -1.795) 2.600 18.293 ( 0.355 0.218 1.595) 1.648 18.433 ( 2.491 2.103 -4.442) 5.510 19.054 ( -2.222 0.233 3.607) 4.242 19.590 ( -2.987 1.891 1.745) 3.942 19.761 ( -1.239 6.033 -5.366) 8.169 21.347 ( -0.868 1.166 0.524) 1.545 27.794 ( 0.538 0.097 3.853) 3.892 28.569 ( -1.876 -0.264 -1.521) 2.429 29.617 ( 1.036 -1.082 0.399) 1.550 29.795 ( -2.225 -0.903 -2.457) 3.436 29.960 ( 2.184 -0.436 -3.142) 3.851 30.106 ( 0.202 1.217 -2.161) 2.488 30.279 ( -0.183 10.000 1.622) 10.132 30.394 ( -1.204 9.828 4.371) 10.823 30.773 ( -0.233 0.503 1.205) 1.327 30.967 ( 0.644 1.947 -0.325) 2.077 31.663 ( -3.053 3.013 0.233) 4.296 32.262 ( -0.171 4.345 2.613) 5.073 32.759 ( 10.648 -19.661 -1.051) 22.384 34.178 ( -8.620 -8.097 -13.291) 17.790 34.654 ( 3.053 -25.873 -0.452) 26.057 36.259 ( 13.211 -10.796 4.143) 17.557 ======================= Grid point 305 (155/160) ======================= q-point: (-0.33 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -13.096 0.000 3.094) 13.457 1.627 ( -2.725 0.000 7.476) 7.957 1.771 ( -30.957 0.000 -3.753) 31.184 1.970 ( -29.252 0.000 7.592) 30.221 2.131 ( -7.093 0.000 0.476) 7.109 2.474 ( 4.382 -0.000 0.328) 4.394 2.682 ( 9.750 -0.000 -0.616) 9.769 3.055 ( 6.054 -0.000 -2.871) 6.700 3.385 ( 2.522 -0.000 0.362) 2.548 3.460 ( -8.508 0.000 -10.506) 13.519 3.717 ( 12.588 -0.000 13.402) 18.386 3.751 ( -3.009 0.000 7.380) 7.970 4.046 ( 6.914 -0.000 -3.354) 7.685 4.133 ( 9.917 -0.000 -5.799) 11.488 4.482 ( -3.805 0.000 0.794) 3.887 5.010 ( 1.850 -0.000 -3.582) 4.031 5.657 ( -11.775 0.000 1.470) 11.866 5.684 ( -0.136 0.000 -4.828) 4.830 5.779 ( -5.945 0.000 -7.880) 9.871 6.037 ( 1.782 -0.000 -3.477) 3.907 6.138 ( 17.335 -0.000 2.131) 17.466 6.323 ( 12.278 -0.000 6.645) 13.961 6.795 ( -5.356 0.000 4.629) 7.079 6.965 ( 2.557 -0.000 -0.228) 2.567 6.967 ( -0.978 0.000 -3.015) 3.169 7.578 ( -7.734 0.000 7.752) 10.951 7.832 ( 9.275 -0.000 -6.297) 11.211 7.904 ( -4.753 0.000 -2.427) 5.337 8.147 ( -5.709 0.000 -0.413) 5.724 8.206 ( -5.978 0.000 -9.240) 11.005 8.572 ( 1.980 -0.000 3.340) 3.883 8.637 ( -7.293 0.000 -1.343) 7.416 8.832 ( -1.526 0.000 -0.398) 1.578 9.156 ( 4.018 -0.000 -0.346) 4.033 9.351 ( 7.329 -0.000 2.067) 7.615 9.622 ( -0.968 0.000 -3.891) 4.010 9.760 ( -1.149 0.000 -2.596) 2.839 10.158 ( 0.016 -0.000 1.737) 1.737 10.623 ( -4.103 0.000 -6.149) 7.393 11.198 ( 8.080 -0.000 8.720) 11.889 11.525 ( -1.739 0.000 -3.679) 4.069 11.888 ( -2.884 0.000 1.548) 3.273 12.449 ( 6.685 -0.000 17.133) 18.391 12.784 ( 0.835 -0.000 -1.843) 2.023 13.868 ( -2.805 0.000 -0.536) 2.856 14.008 ( 0.550 -0.000 1.939) 2.015 15.349 ( 0.802 -0.000 2.922) 3.030 15.539 ( 1.672 -0.000 2.115) 2.696 15.764 ( -2.708 0.000 2.414) 3.628 15.807 ( -0.536 0.000 -1.126) 1.247 15.965 ( 4.170 -0.000 2.476) 4.850 16.126 ( -0.928 0.000 -3.102) 3.238 16.343 ( 1.615 -0.000 -3.085) 3.483 16.576 ( -2.611 0.000 1.389) 2.957 17.889 ( -6.100 0.000 -1.845) 6.373 18.058 ( -3.341 0.000 -1.210) 3.553 18.299 ( -0.285 0.000 0.750) 0.802 18.520 ( 4.390 -0.000 -1.429) 4.616 19.123 ( -4.608 0.000 -1.204) 4.763 19.574 ( 1.323 -0.000 10.189) 10.274 20.400 ( 8.360 -0.000 -22.353) 23.865 21.408 ( 0.832 -0.000 4.777) 4.848 27.836 ( -2.357 0.000 -1.222) 2.655 28.607 ( -1.280 0.000 -1.320) 1.839 29.716 ( 2.150 -0.000 0.803) 2.295 30.048 ( 1.151 -0.000 -2.949) 3.165 30.099 ( -5.541 0.000 -14.851) 15.851 30.149 ( 0.653 -0.000 -0.310) 0.723 30.202 ( -0.078 0.000 0.646) 0.651 30.721 ( 1.189 -0.000 0.232) 1.211 30.865 ( -4.173 0.000 -3.486) 5.438 30.910 ( -5.352 0.000 5.481) 7.660 31.500 ( -2.969 0.000 1.018) 3.139 32.536 ( 0.745 -0.000 -0.065) 0.748 32.634 ( -0.533 0.000 0.430) 0.685 32.721 ( 13.014 -0.000 8.862) 15.745 33.974 ( -11.322 0.000 -29.838) 31.914 35.475 ( 13.661 -0.000 33.063) 35.774 ======================= Grid point 306 (156/160) ======================= q-point: (-0.22 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -16.300 -14.156 11.326) 24.379 1.535 ( -28.824 -7.046 0.756) 29.682 2.106 ( -2.047 -42.953 7.187) 43.598 2.163 ( -15.875 -39.372 11.239) 43.914 2.500 ( -9.215 -43.313 2.347) 44.345 2.782 ( 10.309 -1.376 2.091) 10.609 2.812 ( 3.075 -25.888 2.877) 26.228 3.189 ( 2.525 -15.081 -4.285) 15.880 3.306 ( -7.948 -3.546 -13.455) 16.024 3.487 ( -1.985 -12.392 -2.699) 12.837 3.855 ( 4.323 -2.189 1.030) 4.953 3.913 ( 10.712 -3.825 10.733) 15.639 4.095 ( 5.207 -5.709 1.037) 7.796 4.302 ( 9.290 -12.651 -3.848) 16.161 4.482 ( -1.850 -2.010 0.107) 2.734 4.942 ( -2.216 2.834 -5.961) 6.962 5.520 ( -16.288 0.628 -3.769) 16.730 5.603 ( -3.960 7.972 -4.405) 9.931 5.662 ( 1.231 1.991 -3.232) 3.991 6.032 ( 1.472 -0.326 -1.449) 2.091 6.269 ( 15.558 2.520 1.216) 15.808 6.478 ( 10.827 -1.458 3.735) 11.546 6.745 ( -8.991 6.033 5.083) 11.961 6.847 ( 1.262 6.715 -2.678) 7.339 6.983 ( 4.461 3.144 -2.215) 5.890 7.445 ( -5.470 11.540 7.695) 14.909 7.613 ( -0.207 15.661 -8.203) 17.681 7.825 ( -4.373 2.124 1.085) 4.981 8.153 ( -0.320 -2.749 -1.114) 2.983 8.189 ( -6.226 -1.269 -2.708) 6.907 8.565 ( 1.267 -0.026 -0.881) 1.544 8.706 ( -7.547 -12.619 -0.347) 14.708 8.788 ( -1.244 0.932 0.577) 1.658 9.110 ( 0.515 2.841 5.839) 6.514 9.572 ( 8.552 -11.148 2.961) 14.359 9.732 ( -2.617 -14.262 -6.324) 15.819 10.070 ( 7.783 -31.890 -11.802) 34.883 10.197 ( -1.156 -4.639 -1.108) 4.908 10.634 ( 0.521 -7.995 -3.114) 8.596 11.300 ( 4.846 1.219 5.320) 7.299 11.460 ( -0.413 2.970 -2.527) 3.921 11.840 ( -3.086 4.329 2.417) 5.840 12.676 ( 13.025 0.060 17.800) 22.057 12.792 ( 1.552 -1.328 1.290) 2.416 13.843 ( -1.588 1.216 1.037) 2.253 13.976 ( -1.528 4.426 -0.203) 4.686 15.381 ( 2.114 0.479 3.230) 3.890 15.553 ( 1.579 1.828 2.593) 3.544 15.740 ( -3.328 1.977 2.330) 4.518 15.817 ( 0.843 -1.205 0.988) 1.772 16.015 ( 3.576 1.013 2.001) 4.221 16.093 ( -0.399 -0.381 -3.934) 3.973 16.322 ( 3.205 1.476 1.212) 3.731 16.592 ( -3.446 -2.746 0.391) 4.423 17.826 ( -6.220 -0.062 -2.397) 6.666 17.967 ( -2.507 6.817 0.535) 7.283 18.293 ( -0.193 -0.006 -1.255) 1.270 18.508 ( -0.118 1.646 -3.026) 3.446 19.077 ( -2.290 0.728 -0.786) 2.529 19.640 ( -0.896 0.945 7.128) 7.245 20.138 ( -1.085 13.844 -19.193) 23.689 21.418 ( -0.199 2.274 3.249) 3.971 27.812 ( -1.975 0.694 3.376) 3.972 28.578 ( -1.501 0.576 -1.060) 1.926 29.684 ( 2.073 6.155 0.251) 6.499 29.803 ( -5.305 3.390 -6.603) 9.124 30.002 ( 1.198 2.501 -3.601) 4.545 30.163 ( -0.196 1.572 -0.302) 1.612 30.442 ( 1.109 -11.291 -2.925) 11.717 30.717 ( -2.137 5.987 3.296) 7.161 30.819 ( 0.856 -1.521 1.050) 2.036 30.913 ( -4.475 -3.189 2.365) 5.982 31.510 ( -3.606 -5.295 0.398) 6.419 32.367 ( 9.915 7.586 1.790) 12.612 32.546 ( -1.144 8.256 0.810) 8.374 33.392 ( 9.931 -41.067 1.402) 42.274 33.793 ( -8.945 -11.303 -22.590) 26.797 35.856 ( 12.805 -8.483 17.073) 22.966 ======================= Grid point 307 (157/160) ======================= q-point: (-0.11 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( -18.164 -5.766 9.930) 21.489 1.610 ( -13.189 -10.004 16.878) 23.641 2.838 ( -5.278 -31.519 1.345) 31.986 2.855 ( 2.276 -8.455 1.867) 8.953 2.987 ( -1.909 -40.024 4.677) 40.341 3.118 ( -1.422 -11.219 -1.157) 11.368 3.193 ( -0.975 -25.056 1.055) 25.097 3.329 ( -8.194 -38.055 -1.036) 38.941 3.673 ( 3.720 -23.038 0.229) 23.338 3.758 ( -0.173 -26.208 -7.192) 27.177 3.887 ( 2.147 -5.814 -6.395) 8.906 4.130 ( 8.514 -4.525 7.734) 12.360 4.336 ( 3.389 -10.583 -1.354) 11.194 4.572 ( 0.607 -13.078 3.021) 13.436 4.630 ( 8.141 -19.635 -1.930) 21.343 4.832 ( -3.709 2.063 -3.178) 5.302 5.343 ( -10.264 2.788 -9.247) 14.094 5.380 ( -9.602 5.529 -2.415) 11.340 5.633 ( 2.351 3.378 2.134) 4.636 6.026 ( 2.902 5.413 2.397) 6.593 6.324 ( 7.013 1.097 -1.919) 7.353 6.495 ( 0.185 11.192 4.513) 12.070 6.583 ( 1.476 8.661 -5.464) 10.347 6.741 ( 2.342 2.222 -0.644) 3.292 6.888 ( 2.334 8.013 -3.249) 8.956 7.296 ( -6.173 7.944 6.592) 12.028 7.405 ( 6.348 5.567 0.701) 8.472 7.781 ( -6.012 0.763 1.286) 6.195 8.072 ( -6.057 3.466 2.908) 7.560 8.210 ( 1.330 -2.744 -1.001) 3.209 8.578 ( 1.145 -1.573 -4.967) 5.335 8.803 ( 0.206 -1.235 3.274) 3.505 8.909 ( -6.300 -16.556 -0.598) 17.724 9.142 ( -0.206 -1.256 4.276) 4.462 9.840 ( 5.425 -10.140 2.325) 11.733 9.965 ( -0.655 -17.023 -1.429) 17.095 10.287 ( -1.319 -9.921 -3.682) 10.664 10.502 ( 5.117 -22.032 -11.482) 25.366 10.821 ( 7.106 -12.114 -8.848) 16.599 11.265 ( -3.278 4.204 -2.635) 5.947 11.438 ( 5.470 2.635 2.783) 6.679 11.738 ( -2.322 6.993 2.733) 7.859 12.752 ( 3.905 1.767 -2.257) 4.844 12.965 ( 12.384 2.224 17.016) 21.163 13.765 ( -6.983 6.241 1.321) 9.459 13.896 ( 0.946 0.867 -1.470) 1.952 15.406 ( 1.716 1.063 2.428) 3.157 15.539 ( 2.679 3.825 2.139) 5.136 15.695 ( -4.523 1.334 2.518) 5.346 15.862 ( 2.973 -1.248 0.382) 3.247 15.959 ( -0.845 3.972 -4.035) 5.725 16.122 ( 3.741 -1.214 0.750) 4.004 16.395 ( 6.174 -1.283 6.423) 9.001 16.592 ( -4.362 -0.426 -0.188) 4.387 17.732 ( -5.980 3.886 0.290) 7.138 17.866 ( -1.300 1.693 -1.084) 2.394 18.284 ( -0.306 -0.802 -2.321) 2.475 18.427 ( -4.613 1.939 -4.562) 6.771 19.067 ( 1.710 -0.301 0.210) 1.749 19.577 ( -8.448 3.525 -4.026) 10.001 19.830 ( -4.795 7.589 -0.295) 8.982 21.399 ( 0.945 2.824 3.631) 4.696 27.826 ( -0.577 0.540 3.976) 4.054 28.567 ( 0.903 0.616 2.037) 2.312 29.632 ( 1.892 1.068 0.510) 2.231 29.734 ( -1.659 -0.745 -4.974) 5.296 29.960 ( 1.541 1.109 -1.626) 2.499 30.129 ( 0.424 2.043 -0.852) 2.254 30.434 ( -2.703 6.775 0.486) 7.311 30.576 ( -3.213 9.365 4.023) 10.687 30.839 ( 2.209 3.823 5.085) 6.734 30.974 ( 0.596 -2.029 -1.371) 2.520 31.616 ( -3.621 -6.666 0.029) 7.586 32.387 ( 0.435 7.796 2.046) 8.072 32.543 ( 13.672 -13.505 -2.155) 19.338 33.752 ( -10.836 -18.170 -19.447) 28.737 34.208 ( 11.232 -33.031 3.522) 35.066 36.165 ( 7.595 -11.326 -2.291) 13.828 ======================= Grid point 315 (158/160) ======================= q-point: (-0.22 -0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -11.983 0.000 13.539) 18.080 1.290 ( -24.663 0.000 14.347) 28.532 1.727 ( 0.148 -0.000 8.675) 8.676 1.840 ( -22.926 0.000 27.945) 36.146 2.026 ( -7.480 0.000 2.267) 7.816 2.538 ( 3.029 -0.000 -0.542) 3.077 2.910 ( 10.494 -0.000 6.754) 12.479 3.065 ( 1.810 -0.000 -4.873) 5.198 3.085 ( -8.780 0.000 -17.828) 19.873 3.325 ( -4.137 0.000 -5.586) 6.951 3.927 ( 7.321 -0.000 8.944) 11.558 3.930 ( 5.957 -0.000 -5.508) 8.113 4.188 ( 6.173 -0.000 6.886) 9.247 4.215 ( 8.403 -0.000 -2.798) 8.857 4.457 ( -0.041 0.000 -0.874) 0.875 4.880 ( -6.239 0.000 -6.512) 9.018 5.325 ( -18.472 0.000 -9.798) 20.910 5.605 ( -5.622 0.000 -2.874) 6.314 5.720 ( 7.521 -0.000 1.481) 7.665 6.003 ( 1.297 -0.000 -2.670) 2.968 6.440 ( 14.523 -0.000 0.091) 14.523 6.541 ( 6.223 -0.000 0.325) 6.232 6.792 ( -7.598 0.000 8.055) 11.073 6.913 ( 2.577 -0.000 -3.053) 3.995 7.042 ( 5.055 -0.000 2.001) 5.437 7.501 ( -12.305 0.000 2.043) 12.474 7.682 ( -2.545 0.000 -7.750) 8.157 7.902 ( -1.076 0.000 -3.649) 3.804 8.011 ( -8.511 0.000 -2.241) 8.801 8.129 ( 5.248 -0.000 1.715) 5.521 8.516 ( -5.985 0.000 0.462) 6.003 8.701 ( 6.198 -0.000 5.112) 8.034 8.807 ( 0.958 -0.000 -0.182) 0.975 9.203 ( -0.482 0.000 2.501) 2.547 9.474 ( 4.800 -0.000 -3.887) 6.177 9.526 ( -0.101 0.000 -2.874) 2.875 9.742 ( 0.918 -0.000 0.476) 1.034 10.127 ( -3.015 0.000 -2.616) 3.992 10.554 ( 1.311 -0.000 -0.171) 1.322 11.337 ( -2.285 0.000 -2.971) 3.748 11.506 ( 5.158 -0.000 3.721) 6.360 11.871 ( -3.281 0.000 3.205) 4.586 12.764 ( 2.980 -0.000 -3.244) 4.405 12.973 ( 17.261 -0.000 19.205) 25.821 13.863 ( 1.841 -0.000 1.622) 2.454 14.005 ( -2.273 0.000 -2.091) 3.088 15.426 ( 2.110 -0.000 2.780) 3.490 15.604 ( 1.340 -0.000 4.024) 4.241 15.794 ( 0.305 -0.000 -0.444) 0.539 15.809 ( 2.000 -0.000 6.191) 6.506 16.046 ( -1.155 0.000 -4.150) 4.308 16.083 ( 5.004 -0.000 2.505) 5.596 16.366 ( 5.080 -0.000 1.865) 5.411 16.543 ( -4.108 0.000 1.341) 4.322 17.760 ( -4.812 0.000 -2.899) 5.618 18.027 ( -2.427 0.000 1.501) 2.854 18.271 ( 0.160 -0.000 -3.821) 3.824 18.469 ( -6.217 0.000 -4.424) 7.630 19.067 ( 1.724 -0.000 -2.421) 2.972 19.650 ( -6.923 0.000 -0.448) 6.938 20.133 ( -1.541 0.000 -15.633) 15.709 21.466 ( 0.198 -0.000 4.157) 4.162 27.842 ( 0.368 -0.000 5.751) 5.763 28.583 ( 1.454 -0.000 3.229) 3.541 29.724 ( -3.238 0.000 -6.066) 6.876 29.828 ( 0.090 -0.000 -1.894) 1.896 30.027 ( 1.697 -0.000 -3.271) 3.685 30.158 ( 1.018 -0.000 -0.231) 1.044 30.210 ( -0.374 0.000 0.780) 0.865 30.738 ( -8.452 0.000 -0.280) 8.457 30.768 ( -1.482 0.000 2.309) 2.744 30.944 ( -1.188 0.000 8.788) 8.868 31.471 ( -2.984 0.000 1.306) 3.258 32.551 ( 1.161 -0.000 -0.066) 1.163 32.630 ( -0.965 0.000 0.645) 1.161 33.063 ( 8.948 -0.000 -1.368) 9.052 33.490 ( 2.415 -0.000 -12.333) 12.567 35.938 ( 2.407 -0.000 4.515) 5.117 ======================= Grid point 316 (159/160) ======================= q-point: (-0.11 -0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -16.179 -4.833 18.853) 25.309 1.474 ( -5.853 -20.271 23.291) 31.427 2.181 ( -10.895 -38.055 22.643) 45.603 2.195 ( 0.736 -38.661 5.696) 39.085 2.389 ( -8.248 -39.953 3.567) 40.951 2.819 ( -2.324 -13.900 -5.333) 15.068 2.858 ( -8.234 -13.516 -12.391) 20.100 3.118 ( 12.961 -3.212 7.250) 15.195 3.180 ( 0.742 -19.419 -5.546) 20.209 3.359 ( -3.518 -13.984 -7.498) 16.253 3.883 ( 4.736 2.508 -7.364) 9.108 4.170 ( 7.437 -9.428 5.706) 13.295 4.194 ( 1.082 -1.202 -2.252) 2.773 4.397 ( 6.797 -11.743 -4.296) 14.232 4.498 ( 2.051 -2.822 7.033) 7.851 4.781 ( -6.738 0.242 -4.106) 7.894 5.122 ( -13.781 -1.810 -10.735) 17.563 5.478 ( -4.506 7.694 -1.390) 9.024 5.764 ( 7.207 4.803 3.953) 9.521 6.052 ( 4.215 -3.644 -0.068) 5.573 6.446 ( 3.926 7.135 -1.123) 8.221 6.635 ( 6.796 -3.375 -1.574) 7.749 6.685 ( -4.516 8.255 1.576) 9.541 6.844 ( 2.222 10.021 0.205) 10.266 7.046 ( 2.947 6.097 -0.288) 6.777 7.361 ( -10.953 4.151 0.437) 11.721 7.550 ( 1.987 6.624 -0.827) 6.965 7.783 ( -3.576 2.965 1.963) 5.043 8.046 ( -7.112 -5.030 -2.725) 9.128 8.211 ( 5.619 -0.808 3.334) 6.583 8.563 ( -0.954 0.793 -1.186) 1.716 8.638 ( -2.909 -3.386 2.999) 5.378 8.836 ( 2.546 0.332 4.665) 5.325 9.167 ( -1.006 1.452 2.207) 2.827 9.617 ( -2.217 -15.501 -2.307) 15.827 9.753 ( 8.894 -12.516 0.304) 15.357 9.984 ( 3.580 -25.186 -11.736) 28.016 10.135 ( -1.975 -8.166 -2.491) 8.763 10.645 ( 3.155 -7.580 -0.404) 8.220 11.253 ( -4.775 1.762 -5.380) 7.406 11.561 ( 5.354 2.840 4.179) 7.362 11.837 ( -2.479 4.044 3.657) 5.989 12.764 ( 2.920 0.151 -3.218) 4.348 13.220 ( 14.981 0.111 10.481) 18.284 13.863 ( -7.475 9.208 -2.871) 12.203 13.901 ( 3.779 -0.457 0.446) 3.833 15.452 ( 0.755 0.686 2.550) 2.746 15.632 ( 1.371 1.329 3.623) 4.096 15.740 ( 0.233 5.120 1.187) 5.261 15.889 ( 4.697 -0.574 1.578) 4.988 15.978 ( -1.438 2.856 -4.946) 5.889 16.154 ( 5.540 -0.717 2.350) 6.060 16.450 ( 3.798 0.035 2.590) 4.597 16.559 ( 0.626 -3.246 3.507) 4.820 17.705 ( -4.769 -0.149 -2.224) 5.264 17.939 ( -4.223 6.735 1.452) 8.081 18.243 ( 0.320 -0.251 -4.668) 4.685 18.358 ( -8.755 1.074 -5.063) 10.170 19.074 ( 4.211 -0.272 -3.180) 5.284 19.522 ( -12.372 2.481 -0.911) 12.651 19.946 ( -3.287 9.910 -0.358) 10.447 21.495 ( 2.288 2.109 6.451) 7.163 27.868 ( 0.715 1.778 1.655) 2.532 28.663 ( 8.366 2.494 10.794) 13.883 29.649 ( -3.205 0.438 -2.009) 3.808 29.736 ( 3.407 5.394 -0.955) 6.451 29.993 ( 2.079 1.827 -1.379) 3.092 30.162 ( 0.155 1.834 0.042) 1.841 30.424 ( -0.682 -7.734 -0.987) 7.826 30.677 ( -5.581 1.982 1.965) 6.240 30.826 ( -1.182 -12.532 -1.640) 12.694 30.983 ( 2.272 3.659 8.833) 9.827 31.464 ( -3.154 -3.592 0.555) 4.812 32.516 ( 4.036 2.482 -1.355) 4.927 32.543 ( 3.184 5.993 0.290) 6.792 33.177 ( -10.501 -19.355 -19.636) 29.503 33.852 ( 20.197 -25.672 7.564) 33.529 35.949 ( -9.728 -8.259 -10.076) 16.259 ======================= Grid point 325 (160/160) ======================= q-point: (-0.11 -0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -6.805 0.000 19.841) 20.976 1.318 ( -13.981 0.000 23.390) 27.250 1.844 ( 3.777 -0.000 1.008) 3.910 1.989 ( -4.938 0.000 7.759) 9.197 2.135 ( -0.873 0.000 40.826) 40.835 2.549 ( -0.023 0.000 -0.710) 0.710 2.582 ( -9.906 0.000 -22.257) 24.362 2.976 ( -0.310 0.000 -9.328) 9.333 3.152 ( -4.488 0.000 -5.495) 7.095 3.266 ( 10.374 -0.000 10.019) 14.422 3.883 ( 2.267 -0.000 -8.270) 8.575 4.141 ( -3.509 0.000 -15.104) 15.506 4.169 ( 4.612 -0.000 8.622) 9.778 4.315 ( 7.771 -0.000 -2.164) 8.066 4.543 ( 0.197 -0.000 2.691) 2.698 4.671 ( -11.161 0.000 -5.311) 12.360 4.982 ( -0.013 0.000 -3.565) 3.565 5.512 ( -2.506 0.000 -0.511) 2.557 5.944 ( 10.614 -0.000 7.469) 12.979 6.037 ( 4.975 -0.000 -0.900) 5.056 6.550 ( -1.678 0.000 -2.075) 2.668 6.618 ( 8.986 -0.000 -0.396) 8.994 6.711 ( -7.656 0.000 -0.206) 7.659 7.002 ( 5.532 -0.000 1.695) 5.786 7.083 ( -2.981 0.000 -3.479) 4.582 7.305 ( -8.299 0.000 -0.434) 8.311 7.627 ( 2.245 -0.000 -0.487) 2.297 7.814 ( -4.915 0.000 -1.055) 5.026 7.832 ( -7.643 0.000 -2.716) 8.111 8.310 ( 7.106 -0.000 8.388) 10.994 8.463 ( -2.665 0.000 1.654) 3.136 8.806 ( 2.952 -0.000 -0.009) 2.952 8.922 ( 5.335 -0.000 3.918) 6.619 9.204 ( -2.462 0.000 1.044) 2.675 9.389 ( -1.418 0.000 -4.499) 4.717 9.540 ( 2.540 -0.000 -4.068) 4.796 9.805 ( 3.414 -0.000 2.627) 4.308 10.024 ( -3.753 0.000 -2.841) 4.707 10.627 ( 4.284 -0.000 2.807) 5.122 11.178 ( -5.793 0.000 -6.440) 8.662 11.654 ( 4.031 -0.000 3.239) 5.171 11.882 ( -1.604 0.000 3.879) 4.197 12.769 ( 3.033 -0.000 -2.382) 3.856 13.366 ( 9.706 -0.000 4.015) 10.503 13.815 ( -10.464 0.000 -7.043) 12.613 13.957 ( 4.169 -0.000 0.160) 4.172 15.475 ( -1.419 0.000 3.348) 3.636 15.669 ( 0.432 -0.000 1.826) 1.877 15.804 ( 0.865 -0.000 0.441) 0.971 15.933 ( 7.836 -0.000 -2.878) 8.347 15.958 ( -1.794 0.000 -3.951) 4.339 16.215 ( 6.188 -0.000 2.440) 6.651 16.479 ( -5.307 0.000 0.294) 5.315 16.572 ( 7.368 -0.000 2.331) 7.728 17.649 ( -4.261 0.000 -1.190) 4.424 17.952 ( -7.086 0.000 -0.942) 7.148 18.211 ( -1.015 0.000 -3.729) 3.865 18.291 ( -2.274 0.000 -3.545) 4.212 19.089 ( 4.655 -0.000 -1.681) 4.950 19.470 ( -8.225 0.000 5.211) 9.737 20.040 ( 1.551 -0.000 -1.023) 1.858 21.589 ( 3.131 -0.000 7.514) 8.140 27.890 ( 1.290 -0.000 -4.084) 4.282 28.956 ( 22.462 -0.000 18.492) 29.094 29.622 ( -0.952 0.000 -0.465) 1.059 29.885 ( 3.196 -0.000 0.804) 3.295 30.018 ( 2.230 -0.000 -2.037) 3.020 30.175 ( 1.168 -0.000 -0.010) 1.168 30.210 ( -0.760 0.000 0.515) 0.918 30.563 ( -12.688 0.000 -0.398) 12.694 30.734 ( -3.140 0.000 -0.038) 3.140 31.100 ( 2.370 -0.000 8.682) 9.000 31.438 ( -2.246 0.000 0.152) 2.251 32.571 ( 1.336 -0.000 0.023) 1.336 32.621 ( -1.234 0.000 0.474) 1.322 32.757 ( -9.547 0.000 -18.389) 20.719 33.897 ( 29.459 -0.000 11.358) 31.572 35.617 ( -28.961 0.000 -12.792) 31.660 =================== 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 3/44226 10.0 1514.332 634.801 1085.634 0.000 43.011 -0.000 3/44226 20.0 206.083 241.005 205.906 0.000 35.611 -0.000 3/44226 30.0 81.024 148.748 87.349 0.000 21.097 -0.000 3/44226 40.0 44.766 101.754 49.953 0.000 13.444 -0.000 3/44226 50.0 29.172 74.293 33.079 0.000 9.206 -0.000 3/44226 60.0 21.031 57.130 23.999 0.000 6.730 -0.000 3/44226 70.0 16.225 45.801 18.540 0.000 5.189 -0.000 3/44226 80.0 13.127 37.954 14.987 0.000 4.171 -0.000 3/44226 90.0 10.995 32.286 12.532 0.000 3.464 -0.000 3/44226 100.0 9.453 28.042 10.752 0.000 2.951 -0.000 3/44226 110.0 8.291 24.767 9.412 0.000 2.565 -0.000 3/44226 120.0 7.387 22.172 8.371 0.000 2.267 -0.000 3/44226 130.0 6.665 20.071 7.542 0.000 2.030 -0.000 3/44226 140.0 6.076 18.338 6.866 0.000 1.838 -0.000 3/44226 150.0 5.587 16.885 6.305 0.000 1.679 -0.000 3/44226 160.0 5.174 15.650 5.833 0.000 1.546 -0.000 3/44226 170.0 4.821 14.588 5.429 0.000 1.432 -0.000 3/44226 180.0 4.515 13.665 5.081 0.000 1.335 -0.000 3/44226 190.0 4.249 12.855 4.777 0.000 1.251 -0.000 3/44226 200.0 4.014 12.140 4.510 0.000 1.176 -0.000 3/44226 210.0 3.806 11.503 4.272 0.000 1.111 -0.000 3/44226 220.0 3.620 10.933 4.060 0.000 1.053 -0.000 3/44226 230.0 3.452 10.419 3.870 0.000 1.000 -0.000 3/44226 240.0 3.301 9.955 3.698 0.000 0.953 -0.000 3/44226 250.0 3.163 9.532 3.542 0.000 0.911 -0.000 3/44226 260.0 3.038 9.146 3.399 0.000 0.872 -0.000 3/44226 270.0 2.922 8.792 3.268 0.000 0.837 -0.000 3/44226 280.0 2.817 8.466 3.148 0.000 0.805 -0.000 3/44226 290.0 2.719 8.165 3.037 0.000 0.775 -0.000 3/44226 300.0 2.628 7.887 2.934 0.000 0.748 -0.000 3/44226 310.0 2.544 7.628 2.839 0.000 0.722 -0.000 3/44226 320.0 2.465 7.386 2.750 0.000 0.699 -0.000 3/44226 330.0 2.392 7.161 2.667 0.000 0.677 -0.000 3/44226 340.0 2.323 6.950 2.589 0.000 0.656 -0.000 3/44226 350.0 2.259 6.752 2.516 0.000 0.637 -0.000 3/44226 360.0 2.198 6.566 2.447 0.000 0.619 -0.000 3/44226 370.0 2.141 6.390 2.383 0.000 0.602 -0.000 3/44226 380.0 2.086 6.224 2.321 0.000 0.586 -0.000 3/44226 390.0 2.035 6.067 2.264 0.000 0.571 -0.000 3/44226 400.0 1.987 5.919 2.209 0.000 0.557 -0.000 3/44226 410.0 1.940 5.778 2.156 0.000 0.543 -0.000 3/44226 420.0 1.896 5.644 2.107 0.000 0.530 -0.000 3/44226 430.0 1.854 5.516 2.060 0.000 0.518 -0.000 3/44226 440.0 1.814 5.394 2.015 0.000 0.507 -0.000 3/44226 450.0 1.776 5.278 1.972 0.000 0.496 -0.000 3/44226 460.0 1.740 5.167 1.931 0.000 0.485 -0.000 3/44226 470.0 1.705 5.061 1.891 0.000 0.475 -0.000 3/44226 480.0 1.671 4.959 1.854 0.000 0.465 -0.000 3/44226 490.0 1.639 4.861 1.817 0.000 0.456 -0.000 3/44226 500.0 1.608 4.767 1.783 0.000 0.447 -0.000 3/44226 510.0 1.578 4.677 1.749 0.000 0.439 -0.000 3/44226 520.0 1.550 4.591 1.717 0.000 0.431 -0.000 3/44226 530.0 1.522 4.508 1.686 0.000 0.423 -0.000 3/44226 540.0 1.496 4.427 1.656 0.000 0.415 -0.000 3/44226 550.0 1.470 4.350 1.628 0.000 0.408 -0.000 3/44226 560.0 1.445 4.275 1.600 0.000 0.401 -0.000 3/44226 570.0 1.421 4.203 1.573 0.000 0.394 -0.000 3/44226 580.0 1.398 4.134 1.547 0.000 0.388 -0.000 3/44226 590.0 1.376 4.066 1.522 0.000 0.381 -0.000 3/44226 600.0 1.354 4.001 1.498 0.000 0.375 -0.000 3/44226 610.0 1.333 3.938 1.475 0.000 0.369 -0.000 3/44226 620.0 1.313 3.877 1.452 0.000 0.364 -0.000 3/44226 630.0 1.293 3.818 1.430 0.000 0.358 -0.000 3/44226 640.0 1.274 3.761 1.409 0.000 0.353 -0.000 3/44226 650.0 1.256 3.705 1.388 0.000 0.347 -0.000 3/44226 660.0 1.238 3.651 1.368 0.000 0.342 -0.000 3/44226 670.0 1.220 3.599 1.348 0.000 0.338 -0.000 3/44226 680.0 1.203 3.548 1.329 0.000 0.333 -0.000 3/44226 690.0 1.187 3.498 1.311 0.000 0.328 -0.000 3/44226 700.0 1.171 3.450 1.293 0.000 0.324 -0.000 3/44226 710.0 1.155 3.403 1.276 0.000 0.319 -0.000 3/44226 720.0 1.140 3.358 1.259 0.000 0.315 -0.000 3/44226 730.0 1.125 3.313 1.242 0.000 0.311 -0.000 3/44226 740.0 1.110 3.270 1.226 0.000 0.307 -0.000 3/44226 750.0 1.096 3.228 1.210 0.000 0.303 -0.000 3/44226 760.0 1.083 3.187 1.195 0.000 0.299 -0.000 3/44226 770.0 1.069 3.147 1.180 0.000 0.295 -0.000 3/44226 780.0 1.056 3.108 1.166 0.000 0.292 -0.000 3/44226 790.0 1.043 3.070 1.151 0.000 0.288 -0.000 3/44226 800.0 1.031 3.033 1.138 0.000 0.285 -0.000 3/44226 810.0 1.019 2.997 1.124 0.000 0.281 -0.000 3/44226 820.0 1.007 2.962 1.111 0.000 0.278 -0.000 3/44226 830.0 0.995 2.927 1.098 0.000 0.275 -0.000 3/44226 840.0 0.984 2.893 1.085 0.000 0.272 -0.000 3/44226 850.0 0.973 2.860 1.073 0.000 0.269 -0.000 3/44226 860.0 0.962 2.828 1.061 0.000 0.265 -0.000 3/44226 870.0 0.951 2.797 1.049 0.000 0.263 -0.000 3/44226 880.0 0.941 2.766 1.038 0.000 0.260 -0.000 3/44226 890.0 0.931 2.736 1.027 0.000 0.257 -0.000 3/44226 900.0 0.921 2.706 1.016 0.000 0.254 -0.000 3/44226 910.0 0.911 2.677 1.005 0.000 0.251 -0.000 3/44226 920.0 0.902 2.649 0.994 0.000 0.249 -0.000 3/44226 930.0 0.892 2.621 0.984 0.000 0.246 -0.000 3/44226 940.0 0.883 2.594 0.974 0.000 0.244 -0.000 3/44226 950.0 0.874 2.568 0.964 0.000 0.241 -0.000 3/44226 960.0 0.865 2.542 0.954 0.000 0.239 -0.000 3/44226 970.0 0.857 2.516 0.944 0.000 0.236 -0.000 3/44226 980.0 0.848 2.491 0.935 0.000 0.234 -0.000 3/44226 990.0 0.840 2.467 0.926 0.000 0.232 -0.000 3/44226 1000.0 0.832 2.443 0.917 0.000 0.229 -0.000 3/44226 Thermal conductivity related properties were written into "kappa-m997.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:07:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|